A0A077Z549_TRITR Loading...

A macroglobulin complement component family

AlphaFold DB , UniProt , Accession A0A077Z549, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,283 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
1M64.5Low77.7Confident29 Ų2946.7 Ų46.714%0.14326%0.26CS..  0129.90-175.1161.6176.900108.7I19 V49 F50 F73 A90 A136M1-I19 HydrophobicContact CB-CD1 4.38Å; M1-I19 HydrophobicContact CE-CD1 4.27Å; M1-I19 HydrophobicContact CG-CD1 4.07Å; M1-I19 HydrophobicContact SD-CD1 3.68Å; M1-V49 CarbonylContact O-C 3.56Å; M1-V49 WeakPolarHBondContact O-CA 3.48Å; M1-F50 PolarHBondContact N-O 2.83Å; M1-F50 PolarHBondContact O-N 2.86Å; M1-F73 HydrophobicContact CE-CB 3.54Å; M1-F73 HydrophobicContact CE-CG 4.22Å; M1-F73 HydrophobicContact SD-CB 3.41Å; M1-F73 WeakPolarHBondContact SD-CB 3.43Å; M1-F73 HydrophobicContact SD-CD1 3.79Å; M1-F73 HydrophobicContact SD-CD2 3.95Å; M1-F73 HydrophobicContact SD-CG 3.44Å; M1-F73 WeakPolarHBondContact SD-CG 3.42Å; M1-A90 HydrophobicContact CE-CB 4.05Å; M1-A136 HydrophobicContact CB-CB 3.83Å; M1-A136 HydrophobicContact CG-CB 4.27Å
2A67.9Low78Confident54 Ų5446 Ų4645%0.44626%0.261SS..EExtended strand (participates in β ladder)trans-100.9131.3173.300000108.8A48 V49A2-A48 CarbonylContact C-O 3.5Å; A2-A48 WeakPolarHBondContact CA-O 3.36Å; A2-V49 HydrophobicContact CB-CG2 4.28Å
3A73Confident78.3Confident9 Ų943.5 Ų43.57%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-113.9128172.100000108.2F5 E47 A48 F50 A75A3-F5 HydrophobicContact CB-CD2 4.5Å; A3-F5 HydrophobicContact CB-CE2 3.5Å; A3-F5 VanDerWaalsContact CB-CE2 3.5Å; A3-F5 HydrophobicContact CB-CZ 3.7Å; A3-E47 WeakPolarHBondContact O-CA 3.22Å; A3-A48 PolarHBondContact N-O 3.38Å; A3-A48 PolarHBondContact O-N 3.37Å; A3-F50 HydrophobicContact CB-CE2 4.22Å; A3-A75 HydrophobicContact CB-CB 4.21Å
4C78.4Confident78.8Confident74 Ų7442.6 Ų42.650%0.524%0.239SC..EExtended strand (participates in β ladder)trans-116.3128-178.4-59.90000108.9G46 E47C4-G46 WeakPolarHBondContact CA-O 3.45Å; C4-E47 HydrophobicContact CB-CG 4.28Å
5F80.9Confident79.3Confident25 Ų2539.9 Ų39.911%0.1123%0.225CC..  trans-122.4115.7-177.4-55.6-87.8000109A3 V13 V17 L42 G46 A75 V77A3-F5 HydrophobicContact CB-CD2 4.5Å; A3-F5 HydrophobicContact CB-CE2 3.5Å; A3-F5 VanDerWaalsContact CB-CE2 3.5Å; A3-F5 HydrophobicContact CB-CZ 3.7Å; F5-V13 HydrophobicContact CB-CB 4Å; F5-V13 HydrophobicContact CB-CG2 4.35Å; F5-V13 PolarHBondContact O-N 3.4Å; F5-V17 HydrophobicContact CE2-CB 4.18Å; F5-V17 HydrophobicContact CE2-CG2 3.71Å; F5-V17 HydrophobicContact CZ-CB 4.3Å; F5-V17 HydrophobicContact CZ-CG2 3.51Å; F5-L42 HydrophobicContact CD2-CD1 3.39Å; F5-L42 HydrophobicContact CD2-CD2 3.67Å; F5-L42 HydrophobicContact CD2-CG 4.14Å; F5-L42 HydrophobicContact CE2-CD1 3.67Å; F5-L42 HydrophobicContact CE2-CD2 4.32Å; F5-L42 HydrophobicContact CE2-CG 4.49Å; F5-L42 HydrophobicContact CG-CD1 4.05Å; F5-G46 PolarHBondContact N-O 2.8Å; F5-A75 HydrophobicContact CE1-CB 4.49Å; F5-A75 HydrophobicContact CZ-CB 3.97Å; F5-V77 HydrophobicContact CD1-CB 3.6Å; F5-V77 HydrophobicContact CD1-CG1 3.39Å; F5-V77 HydrophobicContact CD1-CG2 4.19Å; F5-V77 HydrophobicContact CE1-CB 3.55Å; F5-V77 HydrophobicContact CE1-CG1 3.63Å; F5-V77 HydrophobicContact CE1-CG2 4.49Å; F5-V77 HydrophobicContact CG-CB 4.16Å; F5-V77 HydrophobicContact CG-CG1 4.22Å; F5-V77 HydrophobicContact CG-CG2 4.28Å; F5-V77 HydrophobicContact CZ-CB 4.1Å
6R82Confident79.9Confident144 Ų14441.7 Ų41.754%0.54323%0.234SC..BIsolated β-bridgetrans-136.6145.2-177.8-61.4-175.4-175.2-179.92.9110K11 E47R6-K11 CarbonylContact C-O 3.56Å; R6-K11 WeakPolarHBondContact CA-O 3.33Å; R6-K11 WeakPolarHBondContact CB-O 3.44Å; R6-E47 IonicContact CZ-OE1 3.62Å; R6-E47 IonicContact NH2-OE1 2.97Å; R6-E47 PolarHBondContact NH2-OE1 2.98Å
7Y83.7Confident80.3Confident36 Ų3639.2 Ų39.214%0.14122%0.22CC..  trans-66.2162.9167.1-60.3-76.9000110.5Y9 G10 K11 S12 V13 E79Y7-Y9 HydrophobicContact CD1-CE1 4.13Å; Y7-Y9 HydrophobicContact CD2-CE1 4.14Å; Y7-Y9 HydrophobicContact CD2-CE2 4.21Å; Y7-Y9 AromaticContact CD2-CZ 3.58Å; Y7-Y9 WeakPolarHBondContact CD2-OH 3.28Å; Y7-Y9 HydrophobicContact CG-CD1 4.47Å; Y7-Y9 AromaticContact CG-CE1 3.61Å; Y7-Y9 HydrophobicContact CG-CE1 3.61Å; Y7-Y9 HydrophobicContact CG-CE2 4.41Å; Y7-Y9 AromaticContact CG-CZ 3.56Å; Y7-Y9 PolarHBondContact O-N 2.85Å; Y7-G10 WeakPolarHBondContact O-CA 3.42Å; Y7-G10 PolarHBondContact O-N 2.91Å; Y7-K11 HydrophobicContact CD2-CB 4.36Å; Y7-K11 WeakPolarHBondContact CD2-O 3.47Å; Y7-K11 PolarHBondContact N-O 2.81Å; Y7-S12 WeakPolarHBondContact CE2-O 3.33Å; Y7-V13 HydrophobicContact CD1-CG2 4.21Å; Y7-V13 HydrophobicContact CD2-CG2 3.97Å; Y7-V13 HydrophobicContact CE1-CG2 4.09Å; Y7-V13 HydrophobicContact CE2-CB 4.49Å; Y7-V13 HydrophobicContact CE2-CG2 3.85Å; Y7-V13 HydrophobicContact CG-CG2 4.15Å; Y7-E79 VanDerWaalsContact CE1-OE1 3.3Å; Y7-E79 WeakPolarHBondContact CE1-OE1 3.46Å; Y7-E79 VanDerWaalsContact CZ-OE1 3.3Å; Y7-E79 PolarHBondContact OH-OE1 3.42Å
8T82Confident80.8Confident31 Ų3138.3 Ų38.319%0.1922%0.216CC..THydrogen-bonded Turntrans-62.8-25.4179.452.20000113.4G10 Q386 L390 T554 S555T8-G10 PolarHBondContact O-N 3.37Å; T8-Q386 HydrophobicContact CG2-CB 4.4Å; T8-Q386 HydrophobicContact CG2-CG 4.49Å; T8-Q386 PolarHBondContact O-OE1 3.13Å; T8-L390 HydrophobicContact CG2-CD1 4.15Å; T8-T554 WeakPolarHBondContact CB-OG1 3.37Å; T8-T554 PolarHBondContact OG1-OG1 2.79Å; T8-S555 WeakPolarHBondContact O-CB 3.42Å; T8-S555 PolarHBondContact O-N 3.06Å; T8-S555 PolarHBondContact O-OG 3.43Å
9Y81.8Confident81.1Confident0 Ų036.3 Ų36.30%020%0.204CC..THydrogen-bonded Turntrans-84.412.8170.460.5-92.7000113.5Y7 K11 I553 F581 F585 Y609Y7-Y9 HydrophobicContact CD1-CE1 4.13Å; Y7-Y9 HydrophobicContact CD2-CE1 4.14Å; Y7-Y9 HydrophobicContact CD2-CE2 4.21Å; Y7-Y9 AromaticContact CD2-CZ 3.58Å; Y7-Y9 WeakPolarHBondContact CD2-OH 3.28Å; Y7-Y9 HydrophobicContact CG-CD1 4.47Å; Y7-Y9 AromaticContact CG-CE1 3.61Å; Y7-Y9 HydrophobicContact CG-CE1 3.61Å; Y7-Y9 HydrophobicContact CG-CE2 4.41Å; Y7-Y9 AromaticContact CG-CZ 3.56Å; Y7-Y9 PolarHBondContact O-N 2.85Å; Y9-K11 HydrophobicContact CD2-CB 4.03Å; Y9-K11 HydrophobicContact CD2-CG 3.63Å; Y9-K11 HydrophobicContact CE2-CB 3.54Å; Y9-K11 HydrophobicContact CE2-CG 3.44Å; Y9-K11 VanDerWaalsContact CE2-CG 3.44Å; Y9-K11 PolarHBondContact O-N 3.11Å; Y9-I553 HydrophobicContact CD1-CG2 4.02Å; Y9-I553 HydrophobicContact CD2-CG2 4.48Å; Y9-I553 HydrophobicContact CG-CG2 3.96Å; Y9-F581 AromaticContact CD2-CD2 3.72Å; Y9-F581 HydrophobicContact CD2-CD2 3.72Å; Y9-F581 AromaticContact CD2-CE2 3.57Å; Y9-F581 HydrophobicContact CD2-CE2 3.57Å; Y9-F581 HydrophobicContact CE2-CD2 4.47Å; Y9-F581 AromaticContact CE2-CE2 3.91Å; Y9-F581 HydrophobicContact CE2-CE2 3.91Å; Y9-F581 HydrophobicContact CG-CD2 4.25Å; Y9-F581 HydrophobicContact CG-CE2 4.49Å; Y9-F585 HydrophobicContact CE1-CZ 4.37Å; Y9-F585 HydrophobicContact CE2-CZ 4.2Å; Y9-F585 AromaticContact CZ-CZ 3.94Å; Y9-Y609 AromaticContact CE2-CE2 3.96Å; Y9-Y609 HydrophobicContact CE2-CE2 3.96Å; Y9-Y609 PolarHBondContact OH-OH 2.94Å
10G78Confident81.4Confident38 Ų3837.7 Ų37.739%0.39221%0.208SC..SBendtrans88.5-7.5165.600000117.4Y7 T8Y7-G10 WeakPolarHBondContact O-CA 3.42Å; Y7-G10 PolarHBondContact O-N 2.91Å; T8-G10 PolarHBondContact O-N 3.37Å
11K82.6Confident81.6Confident74 Ų7435.9 Ų35.932%0.32220%0.198SC..PPolyproline II helixtrans-80.7153.6177.5-57.5-63.6-177.4-1730112.3R6 Y7 Y9 F581 Y609R6-K11 CarbonylContact C-O 3.56Å; R6-K11 WeakPolarHBondContact CA-O 3.33Å; R6-K11 WeakPolarHBondContact CB-O 3.44Å; Y7-K11 HydrophobicContact CD2-CB 4.36Å; Y7-K11 WeakPolarHBondContact CD2-O 3.47Å; Y7-K11 PolarHBondContact N-O 2.81Å; Y9-K11 HydrophobicContact CD2-CB 4.03Å; Y9-K11 HydrophobicContact CD2-CG 3.63Å; Y9-K11 HydrophobicContact CE2-CB 3.54Å; Y9-K11 HydrophobicContact CE2-CG 3.44Å; Y9-K11 VanDerWaalsContact CE2-CG 3.44Å; Y9-K11 PolarHBondContact O-N 3.11Å; K11-F581 HydrophobicContact CG-CE2 4.21Å; K11-F581 HydrophobicContact CG-CZ 4.4Å; K11-Y609 HydrophobicContact CB-CE1 3.78Å; K11-Y609 WeakPolarHBondContact CB-OH 3.39Å; K11-Y609 HydrophobicContact CD-CD1 4.09Å; K11-Y609 HydrophobicContact CD-CE1 3.97Å; K11-Y609 HydrophobicContact CG-CD1 4.16Å; K11-Y609 HydrophobicContact CG-CE1 3.63Å; K11-Y609 HydrophobicContact CG-CE2 4.18Å
12S80.9Confident82.5Confident38 Ų3837.1 Ų37.127%0.26620%0.203SC..BIsolated β-bridgetrans-71.3147.3-177.1-62.10000113.2Y7 H44 S45Y7-S12 WeakPolarHBondContact CE2-O 3.33Å; S12-H44 WeakPolarHBondContact CB-O 3.41Å; S12-S45 WeakPolarHBondContact CB-O 3.23Å; S12-S45 VanDerWaalsContact OG-C 3.31Å; S12-S45 PolarHBondContact OG-O 2.89Å
13V82.6Confident83Confident13 Ų1336.7 Ų36.78%0.07919%0.191CC..PPolyproline II helixtrans-98.1132176-179.20000109.8F5 Y7 V77 E79F5-V13 HydrophobicContact CB-CB 4Å; F5-V13 HydrophobicContact CB-CG2 4.35Å; F5-V13 PolarHBondContact O-N 3.4Å; Y7-V13 HydrophobicContact CD1-CG2 4.21Å; Y7-V13 HydrophobicContact CD2-CG2 3.97Å; Y7-V13 HydrophobicContact CE1-CG2 4.09Å; Y7-V13 HydrophobicContact CE2-CB 4.49Å; Y7-V13 HydrophobicContact CE2-CG2 3.85Å; Y7-V13 HydrophobicContact CG-CG2 4.15Å; V13-V77 HydrophobicContact CG1-CG2 4.49Å; V13-E79 HydrophobicContact CG1-CB 4.39Å; V13-E79 HydrophobicContact CG1-CG 4.18Å
14E84.3Confident83Confident31 Ų3137.5 Ų37.515%0.14520%0.195CC..PPolyproline II helixtrans-93.7142.4169.3-70.6177.4-148.500110.6H44 K80E14-H44 IonicContact OE1-CE1 3.44Å; E14-H44 PolarHBondContact OE1-CE1 3.39Å; E14-H44 IonicContact OE1-CG 3.61Å; E14-H44 IonicContact OE1-ND1 2.67Å; E14-H44 PolarHBondContact OE1-ND1 2.86Å; E14-H44 IonicContact OE2-CE1 3.4Å; E14-K80 HydrophobicContact CB-CB 4.34Å; E14-K80 HydrophobicContact CB-CD 4.2Å; E14-K80 WeakPolarHBondContact O-CB 3.33Å; E14-K80 PolarHBondContact O-N 2.88Å; E14-K80 IonicContact OE2-NZ 3.36Å; E14-K80 PolarHBondContact OE2-NZ 3.2Å
15G86.4Confident82.6Confident2 Ų240.1 Ų40.12%0.02119%0.194CC..EExtended strand (participates in β ladder)trans168.2-163.1-177.700000114.7L42 T78G15-L42 PolarHBondContact N-O 2.77Å; G15-L42 WeakPolarHBondContact O-CB 3.24Å; G15-L42 PolarHBondContact O-N 2.84Å; G15-T78 CarbonylContact C-O 3.58Å; G15-T78 WeakPolarHBondContact CA-O 3.26Å
16N88.9Confident81.5Confident69 Ų6944.9 Ų44.937%0.36923%0.228SC..EExtended strand (participates in β ladder)trans-107.7138.7171.8-61.71.1000107.9M41 V77 T78N16-M41 WeakPolarHBondContact OD1-CE 3.38Å; N16-M41 PolarHBondContact OD1-SD 2.95Å; N16-V77 CarbonylContact O-C 3.56Å; N16-V77 WeakPolarHBondContact O-CA 2.97Å; N16-T78 PolarHBondContact N-O 2.82Å; N16-T78 PolarHBondContact O-N 2.89Å
17V87.8Confident80.1Confident0 Ų044.6 Ų44.60%023%0.228CC..EExtended strand (participates in β ladder)trans-123.3130.3176.450.40000110.7F5 M39 T40 L42 A48 F50 A75 V76F5-V17 HydrophobicContact CE2-CB 4.18Å; F5-V17 HydrophobicContact CE2-CG2 3.71Å; F5-V17 HydrophobicContact CZ-CB 4.3Å; F5-V17 HydrophobicContact CZ-CG2 3.51Å; V17-M39 CarbonylContact O-C 3.58Å; V17-M39 WeakPolarHBondContact O-CA 3.32Å; V17-T40 VanDerWaalsContact CG1-O 3.3Å; V17-T40 WeakPolarHBondContact CG1-O 3.49Å; V17-T40 PolarHBondContact N-O 3.06Å; V17-T40 PolarHBondContact O-N 3.07Å; V17-L42 HydrophobicContact CB-CD1 3.58Å; V17-L42 HydrophobicContact CB-CG 4.37Å; V17-L42 HydrophobicContact CG1-CD1 3.6Å; V17-L42 HydrophobicContact CG1-CG 3.83Å; V17-L42 HydrophobicContact CG2-CD1 4.5Å; V17-A48 HydrophobicContact CG1-CB 3.87Å; V17-F50 HydrophobicContact CB-CZ 4.23Å; V17-F50 HydrophobicContact CG1-CE2 4.33Å; V17-F50 HydrophobicContact CG1-CZ 3.62Å; V17-F50 HydrophobicContact CG2-CE2 4.04Å; V17-F50 HydrophobicContact CG2-CZ 3.72Å; V17-A75 HydrophobicContact CG2-CB 4.49Å; V17-V76 CarbonylContact C-O 3.59Å; V17-V76 WeakPolarHBondContact CA-O 3.31Å
18T88.5Confident78.4Confident23 Ų2353.7 Ų53.714%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-112.9123.4172.5-55.70000108.5K20 K38 M39 A75 V76T18-K20 HydrophobicContact CG2-CG 4.27Å; T18-K38 CarbonylContact C-O 3.44Å; T18-K38 WeakPolarHBondContact CA-O 3.38Å; T18-M39 HydrophobicContact CG2-CG 3.88Å; T18-A75 CarbonylContact O-C 3.56Å; T18-A75 WeakPolarHBondContact O-CA 3.29Å; T18-V76 PolarHBondContact N-O 3.12Å; T18-V76 PolarHBondContact O-N 2.83Å
19I87.2Confident77Confident0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-106.7132.7173-167.4161.6000109.8M1 Q37 K38 F50 F52 F73 T74 A75M1-I19 HydrophobicContact CB-CD1 4.38Å; M1-I19 HydrophobicContact CE-CD1 4.27Å; M1-I19 HydrophobicContact CG-CD1 4.07Å; M1-I19 HydrophobicContact SD-CD1 3.68Å; I19-Q37 CarbonylContact O-C 3.5Å; I19-Q37 VanDerWaalsContact O-CA 3.25Å; I19-Q37 WeakPolarHBondContact O-CA 3.05Å; I19-K38 HydrophobicContact CG2-CB 3.98Å; I19-K38 PolarHBondContact N-O 2.94Å; I19-K38 PolarHBondContact O-N 2.91Å; I19-F50 HydrophobicContact CB-CD1 4.26Å; I19-F50 HydrophobicContact CB-CD2 4.12Å; I19-F50 HydrophobicContact CB-CE1 4.24Å; I19-F50 HydrophobicContact CB-CE2 4.11Å; I19-F50 HydrophobicContact CB-CG 4.18Å; I19-F50 HydrophobicContact CB-CZ 4.15Å; I19-F50 HydrophobicContact CD1-CB 4.33Å; I19-F50 HydrophobicContact CD1-CD2 3.73Å; I19-F50 HydrophobicContact CD1-CE2 4.27Å; I19-F50 HydrophobicContact CD1-CG 4.13Å; I19-F50 HydrophobicContact CG2-CB 3.94Å; I19-F50 HydrophobicContact CG2-CD1 3.25Å; I19-F50 HydrophobicContact CG2-CD2 3.85Å; I19-F50 HydrophobicContact CG2-CE1 3.54Å; I19-F50 HydrophobicContact CG2-CE2 4.11Å; I19-F50 HydrophobicContact CG2-CG 3.39Å; I19-F50 HydrophobicContact CG2-CZ 3.95Å; I19-F52 HydrophobicContact CD1-CE2 4.44Å; I19-F52 HydrophobicContact CG1-CZ 4.44Å; I19-F52 HydrophobicContact CG2-CE2 4.05Å; I19-F52 HydrophobicContact CG2-CZ 3.65Å; I19-F73 HydrophobicContact CD1-CD1 4.46Å; I19-F73 HydrophobicContact CG1-CD1 4.5Å; I19-T74 CarbonylContact C-O 3.56Å; I19-T74 WeakPolarHBondContact CA-O 3.34Å; I19-A75 HydrophobicContact CG1-CB 4.43Å
20K87.2Confident75.5Confident63 Ų6358 Ų5827%0.27431%0.309SS..EExtended strand (participates in β ladder)trans-120.9126.5-175.5-66.9169.1154.3-112.10109.5T18 E35 Q37 F73 T74T18-K20 HydrophobicContact CG2-CG 4.27Å; K20-E35 VanDerWaalsContact CB-OE1 3.25Å; K20-E35 WeakPolarHBondContact CB-OE1 3.45Å; K20-E35 WeakPolarHBondContact CD-OE1 3.46Å; K20-E35 VanDerWaalsContact CE-OE1 3.23Å; K20-E35 WeakPolarHBondContact CE-OE1 3.49Å; K20-E35 WeakPolarHBondContact CG-OE1 3.38Å; K20-E35 IonicContact NZ-OE1 2.76Å; K20-E35 PolarHBondContact NZ-OE1 2.85Å; K20-E35 IonicContact NZ-OE2 2.88Å; K20-Q37 HydrophobicContact CG-CB 4.23Å; K20-F73 CarbonylContact O-C 3.57Å; K20-F73 VanDerWaalsContact O-CA 3.29Å; K20-F73 WeakPolarHBondContact O-CA 3.4Å; K20-T74 PolarHBondContact N-O 3.32Å; K20-T74 PolarHBondContact O-N 2.8Å
21A85.2Confident74.2Confident0 Ų058.3 Ų58.30%031%0.313CS..EExtended strand (participates in β ladder)trans-109.5123.9175.600000109.9V36 F52 L57 L62 I71 K72 F73A21-V36 HydrophobicContact CB-CB 4.47Å; A21-V36 PolarHBondContact N-O 2.87Å; A21-V36 PolarHBondContact O-N 3Å; A21-V36 VanDerWaalsContact O-N 3.12Å; A21-F52 HydrophobicContact CB-CE1 4.43Å; A21-F52 HydrophobicContact CB-CZ 4.45Å; A21-L57 HydrophobicContact CB-CD2 4.3Å; A21-L62 HydrophobicContact CB-CD1 3.96Å; A21-L62 WeakPolarHBondContact O-CD1 3.36Å; A21-I71 HydrophobicContact CB-CG2 4.07Å; A21-K72 WeakPolarHBondContact CA-O 3.36Å; A21-F73 HydrophobicContact CB-CD1 3.79Å; A21-F73 HydrophobicContact CB-CE1 3.6Å; A21-F73 HydrophobicContact CB-CZ 4.36Å
22H83.6Confident73Confident55 Ų5563.7 Ų63.726%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-152169-179.557.7-76.4000111.1K72 T74H22-K72 PolarHBondContact N-O 3.15Å; H22-K72 PolarHBondContact ND1-O 3.48Å; H22-K72 PolarHBondContact O-N 3.19Å; H22-T74 PolarHBondContact CE1-OG1 3.24Å
23Y79Confident71.8Confident46 Ų4664 Ų6418%0.1834%0.344CS..  trans-70.3137.7172.7-84.5-74.2000111W25 A33 R61 L62 N69Y23-W25 PolarHBondContact O-N 2.97Å; Y23-A33 HydrophobicContact CD2-CB 4.1Å; Y23-A33 HydrophobicContact CE2-CB 4.42Å; Y23-R61 WeakPolarHBondContact CE2-O 3.48Å; Y23-R61 PolarHBondContact OH-O 2.56Å; Y23-L62 HydrophobicContact CD2-CD2 3.67Å; Y23-L62 HydrophobicContact CE2-CD2 3.88Å; Y23-L62 HydrophobicContact CG-CD2 4.32Å; Y23-L62 PolarHBondContact OH-O 3.25Å; Y23-N69 HydrophobicContact CE1-CB 4.36Å; Y23-N69 PolarHBondContact OH-ND2 3.07Å; Y23-N69 VanDerWaalsContact OH-ND2 3.16Å
24P72.9Confident71Confident25 Ų2566.4 Ų66.416%0.16236%0.362CS..SBendtrans-66.7-16.5177.618.6-24.7000114.1Q70 K72 I91P24-Q70 WeakPolarHBondContact CD-O 2.96Å; P24-Q70 HydrophobicContact CG-CB 3.83Å; P24-K72 HydrophobicContact CB-CB 4.09Å; P24-I91 HydrophobicContact CB-CD1 4.36Å
25W68.6Low70.7Confident130 Ų13069.4 Ų69.449%0.49238%0.375SS..SBendtrans-138.4146.9-176.5-17.899.2000111Y23 Y27 P489Y23-W25 PolarHBondContact O-N 2.97Å; W25-Y27 PolarHBondContact O-N 2.85Å; W25-Y27 VanDerWaalsContact O-N 3.08Å; W25-P489 HydrophobicContact CZ2-CB 4.43Å
26P59.4Low70.6Confident125 Ų12570 Ų7081%0.81238%0.379SS*.  trans-64.1110168.624.3-29.7000109.6
27Y52.4Low70.5Confident137 Ų13772 Ų7254%0.53739%0.386SS..  trans-88.8108.5-177.3-158.6-89.4000109.7W25 G29 A30W25-Y27 PolarHBondContact O-N 2.85Å; W25-Y27 VanDerWaalsContact O-N 3.08Å; Y27-G29 PolarHBondContact O-N 3.28Å; Y27-G29 VanDerWaalsContact O-N 3.15Å; Y27-A30 HydrophobicContact CD1-CB 4.15Å; Y27-A30 PolarHBondContact O-N 2.99Å
28Y46.3Very low70.5Confident228 Ų22875 Ų7589%0.89440%0.399SS*.THydrogen-bonded Turntrans-62.3116.2174.6-86.2-89.5000109.9
29G53Low70.4Confident80 Ų8079.9 Ų79.983%0.82542%0.422SS*.THydrogen-bonded Turntrans109.3-9.3177.300000115.6Y27Y27-G29 PolarHBondContact O-N 3.28Å; Y27-G29 VanDerWaalsContact O-N 3.15Å
30A49.8Very low70.4Confident40 Ų4083.3 Ų83.333%0.33144%0.443SS..  trans-88.9105165.700000108.2Y27 E32Y27-A30 HydrophobicContact CD1-CB 4.15Å; Y27-A30 PolarHBondContact O-N 2.99Å; A30-E32 PolarHBondContact O-N 3.27Å
31G51.9Low70.2Confident45 Ų4586.5 Ų86.546%0.46446%0.46SS..  trans-52.3140.8168.300000110.1A33 R61G31-A33 PolarHBondContact O-N 3.45Å; G31-R61 PolarHBondContact O-NH1 3.04Å
32E56.8Low70Confident188 Ų18886.9 Ų86.988%0.87946%0.462SS*.SBendtrans-8.589.4-172.4-72.9-177.4164.400114A30 S34A30-E32 PolarHBondContact O-N 3.27Å; E32-S34 PolarHBondContact O-N 2.52Å
33A55.6Low69.6Low45 Ų4588.8 Ų88.837%0.37247%0.474SS..PPolyproline II helixtrans-62.7128.517200000108.8Y23 G31Y23-A33 HydrophobicContact CD2-CB 4.1Å; Y23-A33 HydrophobicContact CE2-CB 4.42Å; G31-A33 PolarHBondContact O-N 3.45Å
34S66.5Low69.3Low63 Ų6392.8 Ų92.844%0.44149%0.494SS..PPolyproline II helixtrans-85.9125.9-176.2-3.20000110.2E32E32-S34 PolarHBondContact O-N 2.52Å
35E78.4Confident69.3Low93 Ų9394.1 Ų94.144%0.43550%0.504SS..PPolyproline II helixtrans-64.4131.3172.3-175.8-178168.700110.4K20K20-E35 VanDerWaalsContact CB-OE1 3.25Å; K20-E35 WeakPolarHBondContact CB-OE1 3.45Å; K20-E35 WeakPolarHBondContact CD-OE1 3.46Å; K20-E35 VanDerWaalsContact CE-OE1 3.23Å; K20-E35 WeakPolarHBondContact CE-OE1 3.49Å; K20-E35 WeakPolarHBondContact CG-OE1 3.38Å; K20-E35 IonicContact NZ-OE1 2.76Å; K20-E35 PolarHBondContact NZ-OE1 2.85Å; K20-E35 IonicContact NZ-OE2 2.88Å
36V82.8Confident69.7Low16 Ų1687.9 Ų87.910%0.09748%0.481CS..EExtended strand (participates in β ladder)trans-105.4123.2176.1-177.70000108.9A21 F52 E56 L62A21-V36 HydrophobicContact CB-CB 4.47Å; A21-V36 PolarHBondContact N-O 2.87Å; A21-V36 PolarHBondContact O-N 3Å; A21-V36 VanDerWaalsContact O-N 3.12Å; V36-F52 HydrophobicContact CG1-CD1 3.94Å; V36-F52 HydrophobicContact CG1-CE1 3.93Å; V36-E56 HydrophobicContact CG1-CG 3.72Å; V36-E56 VanDerWaalsContact CG1-OE1 3.25Å; V36-E56 WeakPolarHBondContact CG1-OE1 3.44Å; V36-L62 HydrophobicContact CB-CD1 4.43Å; V36-L62 HydrophobicContact CG2-CD1 4.04Å
37Q87.6Confident70.7Confident111 Ų11186 Ų8652%0.51946%0.461SS..EExtended strand (participates in β ladder)trans-127.3146.2-176.564.8177.80.500113.4I19 K20I19-Q37 CarbonylContact O-C 3.5Å; I19-Q37 VanDerWaalsContact O-CA 3.25Å; I19-Q37 WeakPolarHBondContact O-CA 3.05Å; K20-Q37 HydrophobicContact CG-CB 4.23Å
38K88.2Confident72.1Confident61 Ų6179.9 Ų79.927%0.26544%0.438SS..EExtended strand (participates in β ladder)trans-133.5148171.8-65.2-167.2-176.8-165.90110.8T18 I19 F50 R51 F52 E56T18-K38 CarbonylContact C-O 3.44Å; T18-K38 WeakPolarHBondContact CA-O 3.38Å; I19-K38 HydrophobicContact CG2-CB 3.98Å; I19-K38 PolarHBondContact N-O 2.94Å; I19-K38 PolarHBondContact O-N 2.91Å; K38-F50 HydrophobicContact CB-CD1 4.13Å; K38-R51 PolarHBondContact NZ-O 3.5Å; K38-F52 HydrophobicContact CD-CD1 4.2Å; K38-F52 HydrophobicContact CD-CE1 4.07Å; K38-F52 HydrophobicContact CG-CD1 4.43Å; K38-F52 HydrophobicContact CG-CE1 3.88Å; K38-F52 HydrophobicContact CG-CZ 4.33Å; K38-E56 VanDerWaalsContact CE-CD 3.44Å; K38-E56 WeakPolarHBondContact CE-OE1 3.19Å; K38-E56 WeakPolarHBondContact CE-OE2 3.39Å; K38-E56 IonicContact NZ-OE1 2.72Å; K38-E56 PolarHBondContact NZ-OE1 2.9Å; K38-E56 IonicContact NZ-OE2 3.55Å; K38-E56 PolarHBondContact NZ-OE2 3.45Å
39M86.9Confident73.7Confident127 Ų12773.8 Ų73.863%0.62642%0.424SS*.EExtended strand (participates in β ladder)trans-124.8143-178.8-61.5178.569.200110.6V17 T18V17-M39 CarbonylContact O-C 3.58Å; V17-M39 WeakPolarHBondContact O-CA 3.32Å; T18-M39 HydrophobicContact CG2-CG 3.88Å
40T87.1Confident75Confident72 Ų7270.2 Ų70.244%0.44239%0.386SS..EExtended strand (participates in β ladder)trans-152.4158.4175.6-56.50000109.9V17V17-T40 VanDerWaalsContact CG1-O 3.3Å; V17-T40 WeakPolarHBondContact CG1-O 3.49Å; V17-T40 PolarHBondContact N-O 3.06Å; V17-T40 PolarHBondContact O-N 3.07Å
41M82.4Confident76.4Confident130 Ų13075.8 Ų75.864%0.6440%0.399SS*.EExtended strand (participates in β ladder)trans-84.9135172.6-59.7-67.4-6200110.3N16N16-M41 WeakPolarHBondContact OD1-CE 3.38Å; N16-M41 PolarHBondContact OD1-SD 2.95Å
42L80.4Confident77.6Confident8 Ų874.3 Ų74.34%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-85.1118.5168.5-91.2144.2000109.7F5 G15 V17 G46 A48 V77F5-L42 HydrophobicContact CD2-CD1 3.39Å; F5-L42 HydrophobicContact CD2-CD2 3.67Å; F5-L42 HydrophobicContact CD2-CG 4.14Å; F5-L42 HydrophobicContact CE2-CD1 3.67Å; F5-L42 HydrophobicContact CE2-CD2 4.32Å; F5-L42 HydrophobicContact CE2-CG 4.49Å; F5-L42 HydrophobicContact CG-CD1 4.05Å; G15-L42 PolarHBondContact N-O 2.77Å; G15-L42 WeakPolarHBondContact O-CB 3.24Å; G15-L42 PolarHBondContact O-N 2.84Å; V17-L42 HydrophobicContact CB-CD1 3.58Å; V17-L42 HydrophobicContact CB-CG 4.37Å; V17-L42 HydrophobicContact CG1-CD1 3.6Å; V17-L42 HydrophobicContact CG1-CG 3.83Å; V17-L42 HydrophobicContact CG2-CD1 4.5Å; L42-G46 VanDerWaalsContact CD2-CA 3.47Å; L42-G46 VanDerWaalsContact CD2-O 3.31Å; L42-G46 WeakPolarHBondContact CD2-O 3.37Å; L42-A48 HydrophobicContact CD2-CB 4.46Å; L42-A48 HydrophobicContact CG-CB 4.49Å; L42-V77 HydrophobicContact CD1-CB 4.44Å; L42-V77 HydrophobicContact CD1-CG2 3.65Å
43D76.4Confident78.6Confident94 Ų9468 Ų6850%0.50336%0.359SS..  trans-82.8-171.117269.86.7000111.6S45 G46D43-S45 PolarHBondContact O-N 2.84Å; D43-S45 WeakPolarHBondContact OD1-CB 3.42Å; D43-S45 PolarHBondContact OD1-N 3.16Å; D43-S45 PolarHBondContact OD1-OG 2.91Å; D43-G46 PolarHBondContact O-N 3.48Å; D43-G46 VanDerWaalsContact O-N 3.08Å
44H71.2Confident79.3Confident131 Ų13167 Ų6761%0.60635%0.348SS*.THydrogen-bonded Turntrans-61.6-13.9179.8-53.4-58.9000114.4S12 E14 G46S12-H44 WeakPolarHBondContact CB-O 3.41Å; E14-H44 IonicContact OE1-CE1 3.44Å; E14-H44 PolarHBondContact OE1-CE1 3.39Å; E14-H44 IonicContact OE1-CG 3.61Å; E14-H44 IonicContact OE1-ND1 2.67Å; E14-H44 PolarHBondContact OE1-ND1 2.86Å; E14-H44 IonicContact OE2-CE1 3.4Å; H44-G46 VanDerWaalsContact C-N 3.3Å
45S74.2Confident79.7Confident52 Ų5270.8 Ų70.836%0.36436%0.359SS..THydrogen-bonded Turntrans-71.7-28.1175.375.40000111.8S12 D43 E47S12-S45 WeakPolarHBondContact CB-O 3.23Å; S12-S45 VanDerWaalsContact OG-C 3.31Å; S12-S45 PolarHBondContact OG-O 2.89Å; D43-S45 PolarHBondContact O-N 2.84Å; D43-S45 WeakPolarHBondContact OD1-CB 3.42Å; D43-S45 PolarHBondContact OD1-N 3.16Å; D43-S45 PolarHBondContact OD1-OG 2.91Å; S45-E47 PolarHBondContact O-N 3.32Å; S45-E47 PolarHBondContact OG-N 2.81Å; S45-E47 VanDerWaalsContact OG-N 3.11Å; S45-E47 PolarHBondContact OG-O 2.66Å
46G75.4Confident79.6Confident0 Ų068.6 Ų68.60%035%0.348CS..  trans69.314.7-172.200000113.4C4 F5 L42 D43 H44C4-G46 WeakPolarHBondContact CA-O 3.45Å; F5-G46 PolarHBondContact N-O 2.8Å; L42-G46 VanDerWaalsContact CD2-CA 3.47Å; L42-G46 VanDerWaalsContact CD2-O 3.31Å; L42-G46 WeakPolarHBondContact CD2-O 3.37Å; D43-G46 PolarHBondContact O-N 3.48Å; D43-G46 VanDerWaalsContact O-N 3.08Å; H44-G46 VanDerWaalsContact C-N 3.3Å
47E82Confident79.5Confident86 Ų8668.1 Ų68.140%0.40235%0.345SS..EExtended strand (participates in β ladder)trans-123.5131.8-177.9-55.7-170.6176.500110.5A3 C4 R6 S45A3-E47 WeakPolarHBondContact O-CA 3.22Å; C4-E47 HydrophobicContact CB-CG 4.28Å; R6-E47 IonicContact CZ-OE1 3.62Å; R6-E47 IonicContact NH2-OE1 2.97Å; R6-E47 PolarHBondContact NH2-OE1 2.98Å; S45-E47 PolarHBondContact O-N 3.32Å; S45-E47 PolarHBondContact OG-N 2.81Å; S45-E47 VanDerWaalsContact OG-N 3.11Å; S45-E47 PolarHBondContact OG-O 2.66Å
48A80.6Confident78.9Confident7 Ų768.6 Ų68.66%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-127.8134.7176.800000110.6A2 A3 V17 L42 F50A2-A48 CarbonylContact C-O 3.5Å; A2-A48 WeakPolarHBondContact CA-O 3.36Å; A3-A48 PolarHBondContact N-O 3.38Å; A3-A48 PolarHBondContact O-N 3.37Å; V17-A48 HydrophobicContact CG1-CB 3.87Å; L42-A48 HydrophobicContact CD2-CB 4.46Å; L42-A48 HydrophobicContact CG-CB 4.49Å; A48-F50 HydrophobicContact CB-CE2 3.8Å; A48-F50 HydrophobicContact CB-CZ 4.04Å
49V79.6Confident78.3Confident100 Ų10072.9 Ų72.961%0.60636%0.363SS*.EExtended strand (participates in β ladder)trans-110.2115.3179.6-176.50000110.4M1 A2M1-V49 CarbonylContact O-C 3.56Å; M1-V49 WeakPolarHBondContact O-CA 3.48Å; A2-V49 HydrophobicContact CB-CG2 4.28Å
50F80.9Confident77.7Confident5 Ų567 Ų672%0.02234%0.335CS..  trans-100.7134.2178-59.3-84.7000111.5M1 A3 V17 I19 K38 A48 F52M1-F50 PolarHBondContact N-O 2.83Å; M1-F50 PolarHBondContact O-N 2.86Å; A3-F50 HydrophobicContact CB-CE2 4.22Å; V17-F50 HydrophobicContact CB-CZ 4.23Å; V17-F50 HydrophobicContact CG1-CE2 4.33Å; V17-F50 HydrophobicContact CG1-CZ 3.62Å; V17-F50 HydrophobicContact CG2-CE2 4.04Å; V17-F50 HydrophobicContact CG2-CZ 3.72Å; I19-F50 HydrophobicContact CB-CD1 4.26Å; I19-F50 HydrophobicContact CB-CD2 4.12Å; I19-F50 HydrophobicContact CB-CE1 4.24Å; I19-F50 HydrophobicContact CB-CE2 4.11Å; I19-F50 HydrophobicContact CB-CG 4.18Å; I19-F50 HydrophobicContact CB-CZ 4.15Å; I19-F50 HydrophobicContact CD1-CB 4.33Å; I19-F50 HydrophobicContact CD1-CD2 3.73Å; I19-F50 HydrophobicContact CD1-CE2 4.27Å; I19-F50 HydrophobicContact CD1-CG 4.13Å; I19-F50 HydrophobicContact CG2-CB 3.94Å; I19-F50 HydrophobicContact CG2-CD1 3.25Å; I19-F50 HydrophobicContact CG2-CD2 3.85Å; I19-F50 HydrophobicContact CG2-CE1 3.54Å; I19-F50 HydrophobicContact CG2-CE2 4.11Å; I19-F50 HydrophobicContact CG2-CG 3.39Å; I19-F50 HydrophobicContact CG2-CZ 3.95Å; K38-F50 HydrophobicContact CB-CD1 4.13Å; A48-F50 HydrophobicContact CB-CE2 3.8Å; A48-F50 HydrophobicContact CB-CZ 4.04Å; F50-F52 HydrophobicContact CB-CE2 4.11Å
51R78.7Confident77.2Confident157 Ų15770.2 Ų70.259%0.59234%0.339SS*.  trans-116.9124.2174.3-66.7179177.7162.9-0.3109K38K38-R51 PolarHBondContact NZ-O 3.5Å
52F78.1Confident76.9Confident15 Ų1564.1 Ų64.17%0.06631%0.309CS..  trans-108.7134173.5-66.9-90.3000108.9I19 A21 V36 K38 F50 L57 F73I19-F52 HydrophobicContact CD1-CE2 4.44Å; I19-F52 HydrophobicContact CG1-CZ 4.44Å; I19-F52 HydrophobicContact CG2-CE2 4.05Å; I19-F52 HydrophobicContact CG2-CZ 3.65Å; A21-F52 HydrophobicContact CB-CE1 4.43Å; A21-F52 HydrophobicContact CB-CZ 4.45Å; V36-F52 HydrophobicContact CG1-CD1 3.94Å; V36-F52 HydrophobicContact CG1-CE1 3.93Å; K38-F52 HydrophobicContact CD-CD1 4.2Å; K38-F52 HydrophobicContact CD-CE1 4.07Å; K38-F52 HydrophobicContact CG-CD1 4.43Å; K38-F52 HydrophobicContact CG-CE1 3.88Å; K38-F52 HydrophobicContact CG-CZ 4.33Å; F50-F52 HydrophobicContact CB-CE2 4.11Å; F52-L57 HydrophobicContact CB-CD1 3.98Å; F52-L57 HydrophobicContact CB-CD2 4.15Å; F52-L57 HydrophobicContact CB-CG 4.06Å; F52-L57 HydrophobicContact CD1-CD2 4.24Å; F52-L57 HydrophobicContact CG-CD2 4.36Å; F52-F73 AromaticContact CD2-CE1 3.86Å; F52-F73 HydrophobicContact CD2-CE1 3.86Å; F52-F73 HydrophobicContact CE2-CD1 4.02Å; F52-F73 AromaticContact CE2-CE1 3.69Å; F52-F73 HydrophobicContact CE2-CE1 3.69Å; F52-F73 HydrophobicContact CZ-CD1 4.44Å; F52-F73 HydrophobicContact CZ-CE1 4.24Å
53A78.5Confident76.5Confident54 Ų5464.3 Ų64.345%0.44631%0.31SS..  trans-80.3148.917600000110.4E55 E56 L57A53-E55 VanDerWaalsContact C-N 3.25Å; A53-E55 PolarHBondContact O-N 2.92Å; A53-E56 HydrophobicContact CB-CB 4.15Å; A53-E56 PolarHBondContact N-OE2 3.31Å; A53-E56 WeakPolarHBondContact O-CB 3.34Å; A53-E56 PolarHBondContact O-N 3.44Å; A53-L57 PolarHBondContact O-N 3.16Å; A53-L57 VanDerWaalsContact O-N 3.14Å
54N70.5Confident76Confident25 Ų2562.3 Ų62.313%0.13430%0.299CS..Hα-helixtrans-61.7-36.1178.5-69.3-19.4000112.1L57 R58 L129 I134N54-L57 PolarHBondContact O-N 3.19Å; N54-R58 WeakPolarHBondContact O-CB 3.13Å; N54-R58 VanDerWaalsContact O-CG 3.31Å; N54-R58 WeakPolarHBondContact O-CG 3.27Å; N54-R58 PolarHBondContact O-N 3.04Å; N54-L129 HydrophobicContact CB-CD2 4.15Å; N54-L129 VanDerWaalsContact CG-CD2 3.42Å; N54-L129 VanDerWaalsContact ND2-CD2 3.25Å; N54-L129 WeakPolarHBondContact ND2-CD2 3.49Å; N54-I134 WeakPolarHBondContact OD1-CD1 3.28Å
55E73.3Confident75.7Confident143 Ų14364 Ų6467%0.66831%0.307SS*.Hα-helixtrans-64.8-40.9176.5-69.1177-18000111.7A53 L57 R58 Q59A53-E55 VanDerWaalsContact C-N 3.25Å; A53-E55 PolarHBondContact O-N 2.92Å; E55-L57 PolarHBondContact O-N 2.92Å; E55-R58 PolarHBondContact O-N 3.14Å; E55-Q59 WeakPolarHBondContact O-CB 3.42Å; E55-Q59 VanDerWaalsContact O-CG 3.3Å; E55-Q59 WeakPolarHBondContact O-CG 3.45Å; E55-Q59 PolarHBondContact O-N 3Å
56E77.6Confident75Confident47 Ų4768.1 Ų68.122%0.2232%0.319CS..Hα-helixtrans-61-45.1176.7-170.6-173.2178.100111.3V36 K38 A53 Q59 G60V36-E56 HydrophobicContact CG1-CG 3.72Å; V36-E56 VanDerWaalsContact CG1-OE1 3.25Å; V36-E56 WeakPolarHBondContact CG1-OE1 3.44Å; K38-E56 VanDerWaalsContact CE-CD 3.44Å; K38-E56 WeakPolarHBondContact CE-OE1 3.19Å; K38-E56 WeakPolarHBondContact CE-OE2 3.39Å; K38-E56 IonicContact NZ-OE1 2.72Å; K38-E56 PolarHBondContact NZ-OE1 2.9Å; K38-E56 IonicContact NZ-OE2 3.55Å; K38-E56 PolarHBondContact NZ-OE2 3.45Å; A53-E56 HydrophobicContact CB-CB 4.15Å; A53-E56 PolarHBondContact N-OE2 3.31Å; A53-E56 WeakPolarHBondContact O-CB 3.34Å; A53-E56 PolarHBondContact O-N 3.44Å; E56-Q59 PolarHBondContact O-N 3.2Å; E56-G60 PolarHBondContact O-N 3.25Å; E56-G60 VanDerWaalsContact O-N 3.14Å
57L79.6Confident74.4Confident6 Ų668.5 Ų68.53%0.03132%0.323CS..Hα-helixtrans-71.8-30.2177.4-63.1175.8000112.7A21 F52 A53 N54 E55 R61 L62 I63 I71A21-L57 HydrophobicContact CB-CD2 4.3Å; F52-L57 HydrophobicContact CB-CD1 3.98Å; F52-L57 HydrophobicContact CB-CD2 4.15Å; F52-L57 HydrophobicContact CB-CG 4.06Å; F52-L57 HydrophobicContact CD1-CD2 4.24Å; F52-L57 HydrophobicContact CG-CD2 4.36Å; A53-L57 PolarHBondContact O-N 3.16Å; A53-L57 VanDerWaalsContact O-N 3.14Å; N54-L57 PolarHBondContact O-N 3.19Å; E55-L57 PolarHBondContact O-N 2.92Å; L57-R61 PolarHBondContact O-N 2.51Å; L57-L62 HydrophobicContact CD2-CD1 3.9Å; L57-L62 WeakPolarHBondContact O-CB 3.24Å; L57-L62 PolarHBondContact O-N 3.21Å; L57-I63 HydrophobicContact CB-CD1 3.58Å; L57-I63 HydrophobicContact CB-CG1 3.85Å; L57-I63 HydrophobicContact CD1-CD1 3.59Å; L57-I63 HydrophobicContact CD1-CG1 4.43Å; L57-I63 HydrophobicContact CG-CD1 4.23Å; L57-I63 PolarHBondContact O-N 3.42Å; L57-I71 HydrophobicContact CD1-CD1 4.39Å
58R75Confident73.6Confident120 Ų12070.9 Ų70.945%0.45333%0.33SS..Hα-helixtrans-71.1-39172.4-79.5178.3179.4151.4-1.4112.2N54 E55 G60 R61 I63N54-R58 WeakPolarHBondContact O-CB 3.13Å; N54-R58 VanDerWaalsContact O-CG 3.31Å; N54-R58 WeakPolarHBondContact O-CG 3.27Å; N54-R58 PolarHBondContact O-N 3.04Å; E55-R58 PolarHBondContact O-N 3.14Å; R58-G60 VanDerWaalsContact C-N 3.32Å; R58-G60 PolarHBondContact O-N 3.32Å; R58-R61 WeakPolarHBondContact O-CA 3.36Å; R58-R61 PolarHBondContact O-N 3.17Å; R58-I63 HydrophobicContact CG-CB 4.21Å
59Q76.6Confident73.2Confident152 Ų15271.5 Ų71.571%0.7133%0.332SS*.Hα-helixtrans-60.5-42.8174-76.6173-1.300111.1E55 E56 R61E55-Q59 WeakPolarHBondContact O-CB 3.42Å; E55-Q59 VanDerWaalsContact O-CG 3.3Å; E55-Q59 WeakPolarHBondContact O-CG 3.45Å; E55-Q59 PolarHBondContact O-N 3Å; E56-Q59 PolarHBondContact O-N 3.2Å; Q59-R61 PolarHBondContact O-N 3.34Å; Q59-R61 VanDerWaalsContact O-N 3.15Å
60G74.3Confident72.9Confident3 Ų368.5 Ų68.53%0.03131%0.311CS..THydrogen-bonded Turntrans-71.32.8170.700000114.8E56 R58 L62E56-G60 PolarHBondContact O-N 3.25Å; E56-G60 VanDerWaalsContact O-N 3.14Å; R58-G60 VanDerWaalsContact C-N 3.32Å; R58-G60 PolarHBondContact O-N 3.32Å; G60-L62 PolarHBondContact O-N 3.19Å; G60-L62 VanDerWaalsContact O-N 3.13Å
61R76.1Confident72.9Confident140 Ų14068.4 Ų68.453%0.52831%0.311SS..THydrogen-bonded Turntrans57.519.6-176.6-56.8177.6178.4169.9-2.1114.5Y23 G31 L57 R58 Q59Y23-R61 WeakPolarHBondContact CE2-O 3.48Å; Y23-R61 PolarHBondContact OH-O 2.56Å; G31-R61 PolarHBondContact O-NH1 3.04Å; L57-R61 PolarHBondContact O-N 2.51Å; R58-R61 WeakPolarHBondContact O-CA 3.36Å; R58-R61 PolarHBondContact O-N 3.17Å; Q59-R61 PolarHBondContact O-N 3.34Å; Q59-R61 VanDerWaalsContact O-N 3.15Å
62L75.2Confident73.1Confident2 Ų264 Ų641%0.0130%0.296CS..  trans-77.5-24.4-179.7-58.2177.4000112.5A21 Y23 V36 L57 G60 N69 I71A21-L62 HydrophobicContact CB-CD1 3.96Å; A21-L62 WeakPolarHBondContact O-CD1 3.36Å; Y23-L62 HydrophobicContact CD2-CD2 3.67Å; Y23-L62 HydrophobicContact CE2-CD2 3.88Å; Y23-L62 HydrophobicContact CG-CD2 4.32Å; Y23-L62 PolarHBondContact OH-O 3.25Å; V36-L62 HydrophobicContact CB-CD1 4.43Å; V36-L62 HydrophobicContact CG2-CD1 4.04Å; L57-L62 HydrophobicContact CD2-CD1 3.9Å; L57-L62 WeakPolarHBondContact O-CB 3.24Å; L57-L62 PolarHBondContact O-N 3.21Å; G60-L62 PolarHBondContact O-N 3.19Å; G60-L62 VanDerWaalsContact O-N 3.13Å; L62-N69 WeakPolarHBondContact O-CB 3.3Å; L62-N69 PolarHBondContact O-ND2 2.76Å; L62-I71 HydrophobicContact CB-CD1 4.14Å; L62-I71 HydrophobicContact CB-CG1 4.35Å; L62-I71 HydrophobicContact CD1-CG2 4.45Å
63I72.3Confident73.4Confident11 Ų1164.1 Ų64.16%0.05630%0.296CS..SBendtrans-120.2132.9175.9-56.5178.8000109.3L57 R58 N69 I71 V94L57-I63 HydrophobicContact CB-CD1 3.58Å; L57-I63 HydrophobicContact CB-CG1 3.85Å; L57-I63 HydrophobicContact CD1-CD1 3.59Å; L57-I63 HydrophobicContact CD1-CG1 4.43Å; L57-I63 HydrophobicContact CG-CD1 4.23Å; L57-I63 PolarHBondContact O-N 3.42Å; R58-I63 HydrophobicContact CG-CB 4.21Å; I63-N69 WeakPolarHBondContact CA-ND2 3.33Å; I63-I71 HydrophobicContact CD1-CD1 4.26Å; I63-I71 HydrophobicContact CG1-CD1 3.8Å; I63-V94 HydrophobicContact CD1-CG1 4.37Å; I63-V94 HydrophobicContact CD1-CG2 4.3Å; I63-V94 HydrophobicContact CG1-CG2 4.23Å; I63-V94 HydrophobicContact CG2-CG1 4.14Å
64N65.9Low73.6Confident53 Ų5362.4 Ų62.428%0.28328%0.281SS..  trans-115.2176.2174.364.427000111.4F66 G67 N69N64-F66 VanDerWaalsContact C-N 3.28Å; N64-F66 PolarHBondContact O-N 2.85Å; N64-F66 PolarHBondContact OD1-N 3.23Å; N64-F66 VanDerWaalsContact OD1-N 3.16Å; N64-G67 PolarHBondContact OD1-N 2.8Å; N64-N69 VanDerWaalsContact CG-ND2 3.26Å; N64-N69 PolarHBondContact N-ND2 2.92Å; N64-N69 PolarHBondContact ND2-ND2 2.98Å; N64-N69 PolarHBondContact ND2-OD1 3.39Å; N64-N69 PolarHBondContact OD1-OD1 3.22Å
65E65Low74.2Confident165 Ų16561.6 Ų61.677%0.77128%0.277SS*.SBendtrans-74-17.5-178.9-59.7-176.1173.400113.9
66F61Low74.8Confident139 Ų13955.8 Ų55.861%0.6125%0.251SS*.SBendtrans-81-26.4-179.1-57.3-72.3000112.6N64N64-F66 VanDerWaalsContact C-N 3.28Å; N64-F66 PolarHBondContact O-N 2.85Å; N64-F66 PolarHBondContact OD1-N 3.23Å; N64-F66 VanDerWaalsContact OD1-N 3.16Å
67G61.8Low75.2Confident9 Ų954 Ų549%0.09324%0.244CC..  trans73.6-169.8-16900000112.6N64 N69N64-G67 PolarHBondContact OD1-N 2.8Å; G67-N69 PolarHBondContact O-N 2.79Å
68Y65.7Low75.5Confident136 Ų13655.7 Ų55.753%0.53325%0.254SS..  trans64.212.7-176.5-55.4-84000116.1Q70 V94 H95Y68-Q70 PolarHBondContact O-N 2.88Å; Y68-V94 WeakPolarHBondContact CA-O 3.15Å; Y68-V94 PolarHBondContact N-O 3.02Å; Y68-H95 AromaticContact CD1-CE1 3.97Å; Y68-H95 AromaticContact CD1-ND1 3.63Å; Y68-H95 AromaticContact CE1-CE1 3.99Å; Y68-H95 AromaticContact CE1-ND1 3.42Å; Y68-H95 WeakPolarHBondContact CE1-ND1 3.4Å
69N71.1Confident75.9Confident19 Ų1951.1 Ų51.110%0.10224%0.238CC..  trans-67.7132.6172.9-68.3-4.3000110.4Y23 L62 I63 N64 G67 V94Y23-N69 HydrophobicContact CE1-CB 4.36Å; Y23-N69 PolarHBondContact OH-ND2 3.07Å; Y23-N69 VanDerWaalsContact OH-ND2 3.16Å; L62-N69 WeakPolarHBondContact O-CB 3.3Å; L62-N69 PolarHBondContact O-ND2 2.76Å; I63-N69 WeakPolarHBondContact CA-ND2 3.33Å; N64-N69 VanDerWaalsContact CG-ND2 3.26Å; N64-N69 PolarHBondContact N-ND2 2.92Å; N64-N69 PolarHBondContact ND2-ND2 2.98Å; N64-N69 PolarHBondContact ND2-OD1 3.39Å; N64-N69 PolarHBondContact OD1-OD1 3.22Å; G67-N69 PolarHBondContact O-N 2.79Å; N69-V94 PolarHBondContact O-N 3.25Å
70Q74.9Confident76.2Confident38 Ų3850.4 Ų50.418%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-90.2128.5169.2-69.2-178.6-27.200109.2P24 Y68 I91 V92 T93P24-Q70 WeakPolarHBondContact CD-O 2.96Å; P24-Q70 HydrophobicContact CG-CB 3.83Å; Y68-Q70 PolarHBondContact O-N 2.88Å; Q70-I91 HydrophobicContact CB-CG2 3.93Å; Q70-I91 HydrophobicContact CG-CG2 4.26Å; Q70-V92 WeakPolarHBondContact CA-O 3.48Å; Q70-T93 HydrophobicContact CG-CG2 4.45Å
71I79.5Confident76.4Confident2 Ų251.6 Ų51.61%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-114.2125.2175.7-54.1176.3000107.3A21 L57 L62 I63 F73 I91 V92 V94A21-I71 HydrophobicContact CB-CG2 4.07Å; L57-I71 HydrophobicContact CD1-CD1 4.39Å; L62-I71 HydrophobicContact CB-CD1 4.14Å; L62-I71 HydrophobicContact CB-CG1 4.35Å; L62-I71 HydrophobicContact CD1-CG2 4.45Å; I63-I71 HydrophobicContact CD1-CD1 4.26Å; I63-I71 HydrophobicContact CG1-CD1 3.8Å; I71-F73 HydrophobicContact CB-CE2 3.87Å; I71-F73 HydrophobicContact CB-CZ 4.33Å; I71-F73 HydrophobicContact CG2-CD2 4.14Å; I71-F73 HydrophobicContact CG2-CE1 4.34Å; I71-F73 HydrophobicContact CG2-CE2 3.63Å; I71-F73 HydrophobicContact CG2-CZ 3.74Å; I71-I91 WeakPolarHBondContact O-CA 3.4Å; I71-V92 PolarHBondContact N-O 3.21Å; I71-V92 PolarHBondContact O-N 2.89Å; I71-V94 HydrophobicContact CD1-CG2 3.63Å; I71-V94 HydrophobicContact CG1-CG2 4.18Å
72K82.6Confident76.6Confident65 Ų6545.9 Ų45.928%0.28322%0.219SC..EExtended strand (participates in β ladder)trans-89.9122.5171.9-173.6173.8177.1-175.50108.7A21 H22 P24 S89 I91A21-K72 WeakPolarHBondContact CA-O 3.36Å; H22-K72 PolarHBondContact N-O 3.15Å; H22-K72 PolarHBondContact ND1-O 3.48Å; H22-K72 PolarHBondContact O-N 3.19Å; P24-K72 HydrophobicContact CB-CB 4.09Å; K72-S89 WeakPolarHBondContact CE-OG 3.48Å; K72-I91 HydrophobicContact CB-CG1 4.36Å; K72-I91 HydrophobicContact CG-CG1 4.29Å
73F84.3Confident76.7Confident17 Ų1747.9 Ų47.98%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-102.9121.1172.1-67.9-88.4000108.6M1 I19 K20 A21 F52 I71 S89 A90 V92M1-F73 HydrophobicContact CE-CB 3.54Å; M1-F73 HydrophobicContact CE-CG 4.22Å; M1-F73 HydrophobicContact SD-CB 3.41Å; M1-F73 WeakPolarHBondContact SD-CB 3.43Å; M1-F73 HydrophobicContact SD-CD1 3.79Å; M1-F73 HydrophobicContact SD-CD2 3.95Å; M1-F73 HydrophobicContact SD-CG 3.44Å; M1-F73 WeakPolarHBondContact SD-CG 3.42Å; I19-F73 HydrophobicContact CD1-CD1 4.46Å; I19-F73 HydrophobicContact CG1-CD1 4.5Å; K20-F73 CarbonylContact O-C 3.57Å; K20-F73 VanDerWaalsContact O-CA 3.29Å; K20-F73 WeakPolarHBondContact O-CA 3.4Å; A21-F73 HydrophobicContact CB-CD1 3.79Å; A21-F73 HydrophobicContact CB-CE1 3.6Å; A21-F73 HydrophobicContact CB-CZ 4.36Å; F52-F73 AromaticContact CD2-CE1 3.86Å; F52-F73 HydrophobicContact CD2-CE1 3.86Å; F52-F73 HydrophobicContact CE2-CD1 4.02Å; F52-F73 AromaticContact CE2-CE1 3.69Å; F52-F73 HydrophobicContact CE2-CE1 3.69Å; F52-F73 HydrophobicContact CZ-CD1 4.44Å; F52-F73 HydrophobicContact CZ-CE1 4.24Å; I71-F73 HydrophobicContact CB-CE2 3.87Å; I71-F73 HydrophobicContact CB-CZ 4.33Å; I71-F73 HydrophobicContact CG2-CD2 4.14Å; I71-F73 HydrophobicContact CG2-CE1 4.34Å; I71-F73 HydrophobicContact CG2-CE2 3.63Å; I71-F73 HydrophobicContact CG2-CZ 3.74Å; F73-S89 CarbonylContact O-C 3.53Å; F73-S89 WeakPolarHBondContact O-CA 3.13Å; F73-S89 WeakPolarHBondContact O-CB 3.45Å; F73-A90 PolarHBondContact N-O 2.88Å; F73-A90 PolarHBondContact O-N 3.27Å; F73-V92 HydrophobicContact CD2-CB 4.28Å; F73-V92 HydrophobicContact CD2-CG2 3.82Å; F73-V92 HydrophobicContact CE2-CB 3.93Å; F73-V92 HydrophobicContact CE2-CG2 3.83Å
74T83Confident76.8Confident19 Ų1950.2 Ų50.212%0.11725%0.251CS..EExtended strand (participates in β ladder)trans-112.4116.1174-60.60000108.5I19 K20 H22 V76 N87 G88I19-T74 CarbonylContact C-O 3.56Å; I19-T74 WeakPolarHBondContact CA-O 3.34Å; K20-T74 PolarHBondContact N-O 3.32Å; K20-T74 PolarHBondContact O-N 2.8Å; H22-T74 PolarHBondContact CE1-OG1 3.24Å; T74-V76 HydrophobicContact CG2-CG2 4.09Å; T74-N87 HydrophobicContact CG2-CB 4.15Å; T74-G88 CarbonylContact C-O 3.59Å; T74-G88 WeakPolarHBondContact CA-O 3.4Å
75A84.5Confident77.4Confident7 Ų752.7 Ų52.76%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-95.9128172.300000109A3 F5 V17 T18 I19 N87 G88A3-A75 HydrophobicContact CB-CB 4.21Å; F5-A75 HydrophobicContact CE1-CB 4.49Å; F5-A75 HydrophobicContact CZ-CB 3.97Å; V17-A75 HydrophobicContact CG2-CB 4.49Å; T18-A75 CarbonylContact O-C 3.56Å; T18-A75 WeakPolarHBondContact O-CA 3.29Å; I19-A75 HydrophobicContact CG1-CB 4.43Å; A75-N87 CarbonylContact O-C 3.59Å; A75-N87 WeakPolarHBondContact O-CA 3.36Å; A75-G88 PolarHBondContact N-O 3.41Å; A75-G88 PolarHBondContact O-N 2.67Å
76V84.9Confident78.1Confident21 Ų2152.4 Ų52.413%0.12725%0.254CS..EExtended strand (participates in β ladder)trans-117.8116.3179.6-172.70000107.3V17 T18 T74 M85 R86 N87V17-V76 CarbonylContact C-O 3.59Å; V17-V76 WeakPolarHBondContact CA-O 3.31Å; T18-V76 PolarHBondContact N-O 3.12Å; T18-V76 PolarHBondContact O-N 2.83Å; T74-V76 HydrophobicContact CG2-CG2 4.09Å; V76-M85 HydrophobicContact CG1-CB 4.46Å; V76-M85 HydrophobicContact CG1-CE 3.34Å; V76-R86 CarbonylContact C-O 3.56Å; V76-R86 WeakPolarHBondContact CA-O 3.27Å; V76-N87 HydrophobicContact CG2-CB 4.06Å
77V85.8Confident78.9Confident10 Ų1050.6 Ų50.66%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-100.9133.8175.261.60000109.7F5 V13 N16 L42 M85 R86F5-V77 HydrophobicContact CD1-CB 3.6Å; F5-V77 HydrophobicContact CD1-CG1 3.39Å; F5-V77 HydrophobicContact CD1-CG2 4.19Å; F5-V77 HydrophobicContact CE1-CB 3.55Å; F5-V77 HydrophobicContact CE1-CG1 3.63Å; F5-V77 HydrophobicContact CE1-CG2 4.49Å; F5-V77 HydrophobicContact CG-CB 4.16Å; F5-V77 HydrophobicContact CG-CG1 4.22Å; F5-V77 HydrophobicContact CG-CG2 4.28Å; F5-V77 HydrophobicContact CZ-CB 4.1Å; V13-V77 HydrophobicContact CG1-CG2 4.49Å; N16-V77 CarbonylContact O-C 3.56Å; N16-V77 WeakPolarHBondContact O-CA 2.97Å; L42-V77 HydrophobicContact CD1-CB 4.44Å; L42-V77 HydrophobicContact CD1-CG2 3.65Å; V77-M85 CarbonylContact O-C 3.48Å; V77-M85 WeakPolarHBondContact O-CA 3.13Å; V77-R86 HydrophobicContact CG1-CB 4.03Å; V77-R86 PolarHBondContact N-O 3.38Å; V77-R86 PolarHBondContact O-N 3.49Å
78T85.6Confident79.6Confident41 Ų4152.1 Ų52.125%0.25227%0.266SS..EExtended strand (participates in β ladder)trans-104.6110.4167.3-53.70000107.6G15 N16 G83 Q84 M85G15-T78 CarbonylContact C-O 3.58Å; G15-T78 WeakPolarHBondContact CA-O 3.26Å; N16-T78 PolarHBondContact N-O 2.82Å; N16-T78 PolarHBondContact O-N 2.89Å; T78-G83 WeakPolarHBondContact CG2-O 3.46Å; T78-Q84 CarbonylContact C-O 3.58Å; T78-Q84 WeakPolarHBondContact CA-O 3.36Å; T78-M85 HydrophobicContact CG2-CG 4.13Å; T78-M85 WeakPolarHBondContact OG1-CG 3.38Å
79E84.6Confident80.3Confident24 Ų2449.1 Ų49.111%0.11227%0.265CS..EExtended strand (participates in β ladder)trans-64.4132.9179.6-179.2-178.5-156.300110.8Y7 V13 L81 T82 G83 Q84Y7-E79 VanDerWaalsContact CE1-OE1 3.3Å; Y7-E79 WeakPolarHBondContact CE1-OE1 3.46Å; Y7-E79 VanDerWaalsContact CZ-OE1 3.3Å; Y7-E79 PolarHBondContact OH-OE1 3.42Å; V13-E79 HydrophobicContact CG1-CB 4.39Å; V13-E79 HydrophobicContact CG1-CG 4.18Å; E79-L81 PolarHBondContact O-N 2.78Å; E79-T82 WeakPolarHBondContact OE2-CG2 3.34Å; E79-T82 PolarHBondContact OE2-OG1 2.57Å; E79-G83 WeakPolarHBondContact O-CA 3.34Å; E79-G83 PolarHBondContact O-N 3.3Å; E79-Q84 PolarHBondContact N-O 3.08Å
80K82.9Confident80.4Confident138 Ų13850.2 Ų50.260%0.628%0.277SS*.THydrogen-bonded Turntrans-62.6-37.4-176.2179.4177.9167.7-170.60114.2E14E14-K80 HydrophobicContact CB-CB 4.34Å; E14-K80 HydrophobicContact CB-CD 4.2Å; E14-K80 WeakPolarHBondContact O-CB 3.33Å; E14-K80 PolarHBondContact O-N 2.88Å; E14-K80 IonicContact OE2-NZ 3.36Å; E14-K80 PolarHBondContact OE2-NZ 3.2Å
81L77.4Confident80.4Confident27 Ų2752.1 Ų52.114%0.14129%0.287CS..THydrogen-bonded Turntrans-78.5-43.9-173.3-63.3174000112.8E79 Q603 L605 F607 S674E79-L81 PolarHBondContact O-N 2.78Å; L81-Q603 PolarHBondContact O-NE2 3.46Å; L81-L605 HydrophobicContact CB-CD2 4.06Å; L81-L605 HydrophobicContact CD1-CD2 4.44Å; L81-F607 HydrophobicContact CD1-CE1 4.06Å; L81-F607 HydrophobicContact CD1-CZ 4.12Å; L81-S674 VanDerWaalsContact CD1-OG 3.26Å; L81-S674 WeakPolarHBondContact CD1-OG 3.33Å
82T79.8Confident80.1Confident20 Ų2053 Ų5312%0.12329%0.293CS..THydrogen-bonded Turntrans-103.8-19.9-170.9630000112.2E79 Q84 L605E79-T82 WeakPolarHBondContact OE2-CG2 3.34Å; E79-T82 PolarHBondContact OE2-OG1 2.57Å; T82-Q84 PolarHBondContact O-N 2.91Å; T82-Q84 WeakPolarHBondContact OG1-CB 3.34Å; T82-Q84 WeakPolarHBondContact OG1-CG 3.29Å; T82-Q84 PolarHBondContact OG1-N 2.88Å; T82-Q84 VanDerWaalsContact OG1-N 3.09Å; T82-L605 HydrophobicContact CG2-CD1 3.73Å; T82-L605 HydrophobicContact CG2-CD2 4.24Å
83G77.2Confident79.5Confident45 Ų4551.3 Ų51.346%0.46429%0.288SS..  trans73.51.8-16900000113.6T78 E79T78-G83 WeakPolarHBondContact CG2-O 3.46Å; E79-G83 WeakPolarHBondContact O-CA 3.34Å; E79-G83 PolarHBondContact O-N 3.3Å
84Q75.8Confident78.8Confident59 Ų5951.5 Ų51.528%0.27629%0.29SS..  trans-64.6138-178.1-73.9-160.6-24.500111.8T78 E79 T82 H589T78-Q84 CarbonylContact C-O 3.58Å; T78-Q84 WeakPolarHBondContact CA-O 3.36Å; E79-Q84 PolarHBondContact N-O 3.08Å; T82-Q84 PolarHBondContact O-N 2.91Å; T82-Q84 WeakPolarHBondContact OG1-CB 3.34Å; T82-Q84 WeakPolarHBondContact OG1-CG 3.29Å; T82-Q84 PolarHBondContact OG1-N 2.88Å; T82-Q84 VanDerWaalsContact OG1-N 3.09Å; Q84-H589 PolarHBondContact NE2-CE1 2.94Å
85M78.5Confident77.9Confident105 Ų10551.2 Ų51.252%0.51729%0.288SS..EExtended strand (participates in β ladder)trans-99.9132.9176.1-64.3-176.764.900110.9V76 V77 T78V76-M85 HydrophobicContact CG1-CB 4.46Å; V76-M85 HydrophobicContact CG1-CE 3.34Å; V77-M85 CarbonylContact O-C 3.48Å; V77-M85 WeakPolarHBondContact O-CA 3.13Å; T78-M85 HydrophobicContact CG2-CG 4.13Å; T78-M85 WeakPolarHBondContact OG1-CG 3.38Å
86R78.4Confident76.9Confident159 Ų15955.6 Ų55.660%0.631%0.305SS*.EExtended strand (participates in β ladder)trans-131.1144.2171.2-69-68.6-174.2167.1-2109V76 V77V76-R86 CarbonylContact C-O 3.56Å; V76-R86 WeakPolarHBondContact CA-O 3.27Å; V77-R86 HydrophobicContact CG1-CB 4.03Å; V77-R86 PolarHBondContact N-O 3.38Å; V77-R86 PolarHBondContact O-N 3.49Å
87N78.7Confident76.1Confident102 Ų10256.2 Ų56.255%0.54531%0.307SS..EExtended strand (participates in β ladder)trans-117.4155.2177.766.38.3000111.8T74 A75 V76T74-N87 HydrophobicContact CG2-CB 4.15Å; A75-N87 CarbonylContact O-C 3.59Å; A75-N87 WeakPolarHBondContact O-CA 3.36Å; V76-N87 HydrophobicContact CG2-CB 4.06Å
88G76.8Confident75.2Confident40 Ų4058.1 Ų58.141%0.41232%0.32SS..EExtended strand (participates in β ladder)trans-143.5142.8170.100000108.2T74 A75T74-G88 CarbonylContact C-O 3.59Å; T74-G88 WeakPolarHBondContact CA-O 3.4Å; A75-G88 PolarHBondContact N-O 3.41Å; A75-G88 PolarHBondContact O-N 2.67Å
89S79.5Confident74.7Confident74 Ų7456.6 Ų56.652%0.51731%0.31SS..EExtended strand (participates in β ladder)trans-131.1148.2-178.468.80000113K72 F73K72-S89 WeakPolarHBondContact CE-OG 3.48Å; F73-S89 CarbonylContact O-C 3.53Å; F73-S89 WeakPolarHBondContact O-CA 3.13Å; F73-S89 WeakPolarHBondContact O-CB 3.45Å
90A74.3Confident74.3Confident42 Ų4259.1 Ų59.135%0.34732%0.321SS..EExtended strand (participates in β ladder)trans-139.8145.3174.400000109.4M1 F73M1-A90 HydrophobicContact CE-CB 4.05Å; F73-A90 PolarHBondContact N-O 2.88Å; F73-A90 PolarHBondContact O-N 3.27Å
91I75.3Confident74.3Confident77 Ų7753 Ų5340%0.39529%0.294SS..EExtended strand (participates in β ladder)trans-103.1135.8177-61.3173.2000108.3P24 Q70 I71 K72P24-I91 HydrophobicContact CB-CD1 4.36Å; Q70-I91 HydrophobicContact CB-CG2 3.93Å; Q70-I91 HydrophobicContact CG-CG2 4.26Å; I71-I91 WeakPolarHBondContact O-CA 3.4Å; K72-I91 HydrophobicContact CB-CG1 4.36Å; K72-I91 HydrophobicContact CG-CG1 4.29Å
92V72.8Confident74.6Confident20 Ų2053.5 Ų53.512%0.12130%0.299CS..EExtended strand (participates in β ladder)trans-122.8133.6175.7-179.10000108.6Q70 I71 F73 F127Q70-V92 WeakPolarHBondContact CA-O 3.48Å; I71-V92 PolarHBondContact N-O 3.21Å; I71-V92 PolarHBondContact O-N 2.89Å; F73-V92 HydrophobicContact CD2-CB 4.28Å; F73-V92 HydrophobicContact CD2-CG2 3.82Å; F73-V92 HydrophobicContact CE2-CB 3.93Å; F73-V92 HydrophobicContact CE2-CG2 3.83Å; V92-F127 HydrophobicContact CG1-CE1 4.22Å; V92-F127 HydrophobicContact CG1-CE2 4.26Å; V92-F127 HydrophobicContact CG1-CZ 3.96Å
93T69.3Low74.7Confident31 Ų3153.6 Ų53.619%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-96.1126.7174.7-50.80000109.3Q70 H95Q70-T93 HydrophobicContact CG-CG2 4.45Å; T93-H95 PolarHBondContact O-CD2 3.08Å
94V69.1Low74.8Confident20 Ų2054.5 Ų54.512%0.12130%0.295CS..PPolyproline II helixtrans-89124.4178.3-179.40000109I63 Y68 N69 I71I63-V94 HydrophobicContact CD1-CG1 4.37Å; I63-V94 HydrophobicContact CD1-CG2 4.3Å; I63-V94 HydrophobicContact CG1-CG2 4.23Å; I63-V94 HydrophobicContact CG2-CG1 4.14Å; Y68-V94 WeakPolarHBondContact CA-O 3.15Å; Y68-V94 PolarHBondContact N-O 3.02Å; N69-V94 PolarHBondContact O-N 3.25Å; I71-V94 HydrophobicContact CD1-CG2 3.63Å; I71-V94 HydrophobicContact CG1-CG2 4.18Å
95H64.5Low74.9Confident13 Ų1355.7 Ų55.76%0.0630%0.297CS..PPolyproline II helixtrans-102.8142.8178.6-65.1-78.2000111.4Y68 T93 H97 F125Y68-H95 AromaticContact CD1-CE1 3.97Å; Y68-H95 AromaticContact CD1-ND1 3.63Å; Y68-H95 AromaticContact CE1-CE1 3.99Å; Y68-H95 AromaticContact CE1-ND1 3.42Å; Y68-H95 WeakPolarHBondContact CE1-ND1 3.4Å; T93-H95 PolarHBondContact O-CD2 3.08Å; H95-H97 VanDerWaalsContact C-N 3.28Å; H95-H97 PolarHBondContact O-N 3.3Å; H95-F125 HydrophobicContact CB-CD2 3.78Å; H95-F125 HydrophobicContact CB-CE2 4.01Å; H95-F125 HydrophobicContact CB-CG 4.19Å; H95-F125 AromaticContact CD2-CD1 3.63Å; H95-F125 AromaticContact CD2-CE1 3.84Å; H95-F125 AromaticContact CD2-CG 3.73Å; H95-F125 AromaticContact CE1-CE1 3.56Å; H95-F125 AromaticContact CE1-CE2 3.96Å; H95-F125 AromaticContact CE1-CZ 3.4Å; H95-F125 WeakPolarHBondContact CE1-CZ 3.44Å; H95-F125 AromaticContact CG-CD2 3.65Å; H95-F125 AromaticContact CG-CE2 3.59Å; H95-F125 AromaticContact CG-CG 3.82Å; H95-F125 AromaticContact CG-CZ 3.82Å; H95-F125 AromaticContact ND1-CE1 3.92Å; H95-F125 AromaticContact ND1-CE2 3.47Å; H95-F125 WeakPolarHBondContact ND1-CE2 3.24Å; H95-F125 AromaticContact ND1-CZ 3.4Å; H95-F125 WeakPolarHBondContact ND1-CZ 3.39Å; H95-F125 AromaticContact NE2-CD1 3.74Å; H95-F125 AromaticContact NE2-CE1 3.53Å; H95-F125 AromaticContact NE2-CZ 3.83Å
96K63.8Low74.6Confident99 Ų9952.6 Ų52.643%0.4329%0.292SS..SBendtrans-68.8-29.2177.1-174.5178.4176.6-175.70112.3
97H67.9Low74.4Confident35 Ų3546.7 Ų46.716%0.16228%0.277CS..SBendtrans-129.2150.7-172.1-58.3-70.8000110.6H95 V99 S226 V227H95-H97 VanDerWaalsContact C-N 3.28Å; H95-H97 PolarHBondContact O-N 3.3Å; H97-V99 PolarHBondContact O-N 3.27Å; H97-S226 PolarHBondContact CE1-OG 2.67Å; H97-V227 HydrophobicContact CB-CG2 3.62Å
98P67.4Low74.1Confident50 Ų5044.4 Ų44.433%0.32527%0.265SS..SBendtrans-64.8-18.5179.416.9-24.2000114.2F125 L128P98-F125 PolarHBondContact O-N 3.45Å; P98-L128 HydrophobicContact CB-CD1 4.03Å; P98-L128 HydrophobicContact CB-CD2 3.3Å; P98-L128 HydrophobicContact CB-CG 3.67Å; P98-L128 VanDerWaalsContact CD-CD2 3.45Å; P98-L128 HydrophobicContact CG-CD2 3.53Å; P98-L128 HydrophobicContact CG-CG 4.41Å
99V74.2Confident74.3Confident9 Ų943 Ų436%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-132.9149.3-169.4-700000109.2H97 I122 L123 Y220 V227H97-V99 PolarHBondContact O-N 3.27Å; V99-I122 HydrophobicContact CB-CG2 3.84Å; V99-I122 HydrophobicContact CG1-CG2 3.95Å; V99-L123 CarbonylContact C-O 3.58Å; V99-L123 VanDerWaalsContact CA-O 3.27Å; V99-L123 WeakPolarHBondContact CA-O 3.16Å; V99-Y220 HydrophobicContact CG2-CD1 4.11Å; V99-Y220 HydrophobicContact CG2-CD2 4Å; V99-Y220 HydrophobicContact CG2-CE1 4.08Å; V99-Y220 HydrophobicContact CG2-CE2 3.97Å; V99-Y220 HydrophobicContact CG2-CG 4.06Å; V99-V227 HydrophobicContact CG2-CG1 4.28Å; V99-V227 WeakPolarHBondContact O-CG1 3.46Å
100K77Confident74.6Confident76 Ų7639.6 Ų39.633%0.3322%0.224SC..EExtended strand (participates in β ladder)trans-125.4138.4168.9159.9179171.6-152.90109.8V102 I122 L123 F125K100-V102 HydrophobicContact CD-CG2 4.35Å; K100-V102 HydrophobicContact CG-CG2 4.08Å; K100-I122 WeakPolarHBondContact O-CA 3.43Å; K100-L123 PolarHBondContact N-O 3.46Å; K100-L123 PolarHBondContact O-N 3.35Å; K100-F125 HydrophobicContact CB-CD2 4.13Å; K100-F125 HydrophobicContact CB-CE1 4.37Å; K100-F125 HydrophobicContact CB-CE2 3.17Å; K100-F125 HydrophobicContact CB-CZ 3.32Å; K100-F125 HydrophobicContact CD-CE1 4.27Å; K100-F125 HydrophobicContact CD-CE2 4.11Å; K100-F125 HydrophobicContact CD-CZ 3.4Å; K100-F125 VanDerWaalsContact CD-CZ 3.4Å; K100-F125 HydrophobicContact CG-CE2 4.28Å; K100-F125 HydrophobicContact CG-CZ 4.03Å
101L83.1Confident75.2Confident9 Ų938 Ų385%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-87136.2168.7-73.5163000109.4V120 S121 I122 V152 V218 V227 A229L101-V120 HydrophobicContact CD2-CG1 4.17Å; L101-S121 CarbonylContact C-O 3.59Å; L101-S121 WeakPolarHBondContact CA-O 3.17Å; L101-I122 HydrophobicContact CD2-CB 4.45Å; L101-I122 HydrophobicContact CD2-CD1 4.33Å; L101-I122 HydrophobicContact CD2-CG1 3.36Å; L101-I122 HydrophobicContact CG-CG1 4.36Å; L101-V152 HydrophobicContact CD2-CG1 3.8Å; L101-V218 HydrophobicContact CD1-CB 4.41Å; L101-V218 HydrophobicContact CD1-CG1 4Å; L101-V218 WeakPolarHBondContact CD1-O 3.35Å; L101-V218 HydrophobicContact CD2-CG1 3.93Å; L101-V227 HydrophobicContact CD1-CG1 4.49Å; L101-A229 HydrophobicContact CB-CB 3.66Å; L101-A229 WeakPolarHBondContact O-CB 3.31Å
102V82.5Confident75.7Confident38 Ų3834.6 Ų34.623%0.2319%0.192CC..EExtended strand (participates in β ladder)trans-124.6127.6172.8-178.50000107.9K100 S121 L123K100-V102 HydrophobicContact CD-CG2 4.35Å; K100-V102 HydrophobicContact CG-CG2 4.08Å; V102-S121 PolarHBondContact N-O 3.02Å; V102-S121 PolarHBondContact O-N 3.16Å; V102-L123 HydrophobicContact CG2-CD1 3.75Å
103I83.2Confident76.1Confident23 Ų2335.7 Ų35.712%0.11821%0.207CC..EExtended strand (participates in β ladder)trans-99.5120.5168.3-60.8167.2000106.3F118 I216 V218 A229 D231I103-F118 HydrophobicContact CG2-CD2 4.08Å; I103-I216 HydrophobicContact CD1-CB 4.36Å; I103-I216 HydrophobicContact CD1-CG2 3.86Å; I103-V218 HydrophobicContact CD1-CG2 3.97Å; I103-V218 HydrophobicContact CG1-CG2 4.04Å; I103-A229 HydrophobicContact CD1-CB 4Å; I103-A229 HydrophobicContact CG1-CB 4.05Å; I103-D231 HydrophobicContact CD1-CB 4.26Å; I103-D231 HydrophobicContact CG2-CB 4.25Å
104T80Confident76.8Confident64 Ų6435.1 Ų35.139%0.39320%0.202SC..EExtended strand (participates in β ladder)trans-107.5112.4174-53.20000107.9F118 M119T104-F118 WeakPolarHBondContact O-CA 3.42Å; T104-F118 WeakPolarHBondContact O-CB 2.98Å; T104-M119 PolarHBondContact N-O 3.38Å; T104-M119 PolarHBondContact O-N 3.01Å
105R77.9Confident77.7Confident83 Ų8336.7 Ų36.731%0.31321%0.21SC..EExtended strand (participates in β ladder)trans-60.4135.7176.9-63.5-177-174.2-167.2-4.3110Y116 D231 Y232R105-Y116 WeakPolarHBondContact CB-OH 3.4Å; R105-D231 VanDerWaalsContact CG-OD2 3.27Å; R105-D231 WeakPolarHBondContact CG-OD2 3.34Å; R105-D231 IonicContact CZ-OD1 3.45Å; R105-D231 IonicContact CZ-OD2 3.24Å; R105-D231 IonicContact NE-OD1 3.67Å; R105-D231 PolarHBondContact NE-OD1 3.09Å; R105-D231 IonicContact NE-OD2 3.48Å; R105-D231 PolarHBondContact NE-OD2 3.21Å; R105-D231 IonicContact NH2-OD1 3.42Å; R105-D231 PolarHBondContact NH2-OD1 3.46Å; R105-D231 IonicContact NH2-OD2 2.79Å; R105-Y232 PolarHBondContact NH2-O 3.13Å
106G72.3Confident78.7Confident41 Ų4136.2 Ų36.242%0.42321%0.208SC..SBendtrans-77.9-29.5166.700000112.4T117G106-T117 VanDerWaalsContact CA-O 3.24Å; G106-T117 WeakPolarHBondContact CA-O 2.96Å; G106-T117 PolarHBondContact N-O 2.88Å; G106-T117 VanDerWaalsContact N-O 3.09Å
107A72.8Confident79.7Confident34 Ų3433.4 Ų33.428%0.28120%0.199SC..SBendtrans-148.9153.317400000110.6H109 Y116A107-H109 VanDerWaalsContact C-N 3.26Å; A107-H109 PolarHBondContact O-N 3.47Å; A107-Y116 HydrophobicContact CB-CE2 4.26Å; A107-Y116 WeakPolarHBondContact O-CE2 3.37Å; A107-Y116 PolarHBondContact O-OH 3.42Å
108D72.8Confident80.6Confident55 Ų5531.9 Ų31.929%0.29419%0.192SC..SBendtrans-65.3-29.8-178.9-76.9-20.5000113.5G440 I441D108-G440 VanDerWaalsContact OD2-CA 3.31Å; D108-G440 WeakPolarHBondContact OD2-CA 3.49Å; D108-I441 PolarHBondContact OD2-N 3.38Å
109H81.1Confident81.4Confident11 Ų1132.2 Ų32.25%0.05119%0.19CC..SBendtrans-132147179.7-56.286.9000109.3A107 D234 V236 T442A107-H109 VanDerWaalsContact C-N 3.26Å; A107-H109 PolarHBondContact O-N 3.47Å; H109-D234 WeakPolarHBondContact CA-O 3.4Å; H109-D234 WeakPolarHBondContact CB-O 3.25Å; H109-V236 HydrophobicContact CB-CG2 3.68Å; H109-T442 PolarHBondContact ND1-OG1 2.86Å
110F85.5Confident82Confident2 Ų231.8 Ų31.81%0.00919%0.187CC..BIsolated β-bridgetrans-95.7162.8172.978.1-88.9000111.3P112 Y116 F158 T207 A211 L214 I233 D234 S235 V236F110-P112 HydrophobicContact CE2-CG 4.09Å; F110-Y116 HydrophobicContact CB-CD2 3.34Å; F110-Y116 HydrophobicContact CB-CE2 3.96Å; F110-Y116 HydrophobicContact CB-CG 3.83Å; F110-F158 HydrophobicContact CE2-CE1 4.36Å; F110-F158 HydrophobicContact CZ-CD1 4.37Å; F110-F158 HydrophobicContact CZ-CE1 4.46Å; F110-T207 HydrophobicContact CD2-CG2 3.79Å; F110-T207 HydrophobicContact CE2-CG2 4.41Å; F110-T207 HydrophobicContact CG-CG2 4.45Å; F110-A211 HydrophobicContact CE2-CB 3.76Å; F110-A211 HydrophobicContact CZ-CB 3.79Å; F110-L214 HydrophobicContact CD1-CB 3.96Å; F110-L214 HydrophobicContact CE1-CB 3.74Å; F110-L214 HydrophobicContact CZ-CB 4.41Å; F110-I233 HydrophobicContact CB-CG2 4.43Å; F110-I233 HydrophobicContact CD1-CG2 4Å; F110-I233 WeakPolarHBondContact CE1-O 3.2Å; F110-D234 WeakPolarHBondContact CD1-O 3.42Å; F110-D234 PolarHBondContact N-O 3.32Å; F110-D234 VanDerWaalsContact N-O 3.09Å; F110-S235 CarbonylContact O-C 3.36Å; F110-S235 VanDerWaalsContact O-CA 3.25Å; F110-S235 WeakPolarHBondContact O-CA 3.35Å; F110-V236 PolarHBondContact O-N 3.48Å
111K86.6Confident82.3Confident9 Ų928.7 Ų28.74%0.03918%0.175CC..  trans-115.4114.2180-70.6154.6-175.7122.50108.6G113 L114 T207 V236 F243 A244 Q245 D338K111-G113 PolarHBondContact O-N 3.09Å; K111-L114 HydrophobicContact CB-CB 4.18Å; K111-L114 HydrophobicContact CB-CD1 4.06Å; K111-L114 HydrophobicContact CB-CG 4.5Å; K111-L114 HydrophobicContact CD-CD1 4.42Å; K111-L114 PolarHBondContact O-N 3.23Å; K111-L114 VanDerWaalsContact O-O 3.13Å; K111-T207 PolarHBondContact O-OG1 3.03Å; K111-V236 HydrophobicContact CG-CB 4.21Å; K111-V236 HydrophobicContact CG-CG2 3.99Å; K111-F243 HydrophobicContact CB-CB 3.82Å; K111-F243 HydrophobicContact CB-CD1 4.43Å; K111-F243 HydrophobicContact CB-CD2 4.35Å; K111-F243 HydrophobicContact CB-CG 3.94Å; K111-F243 HydrophobicContact CD-CB 4.22Å; K111-F243 HydrophobicContact CG-CB 3.93Å; K111-F243 HydrophobicContact CG-CD1 4.28Å; K111-F243 HydrophobicContact CG-CG 4.16Å; K111-A244 WeakPolarHBondContact CD-O 3.27Å; K111-A244 WeakPolarHBondContact CE-O 3.3Å; K111-Q245 HydrophobicContact CD-CB 3.89Å; K111-Q245 HydrophobicContact CD-CG 4.19Å; K111-D338 WeakPolarHBondContact CE-OD1 3.41Å; K111-D338 IonicContact NZ-OD1 2.65Å; K111-D338 PolarHBondContact NZ-OD1 3.2Å; K111-D338 IonicContact NZ-OD2 2.79Å; K111-D338 PolarHBondContact NZ-OD2 2.88Å
112P85.2Confident82.2Confident5 Ų528.3 Ų28.33%0.03217%0.173CC..THydrogen-bonded Turntrans-53.6134.6-178.4-26.833.7000112.4F110 L114 S209 A211 F243F110-P112 HydrophobicContact CE2-CG 4.09Å; P112-L114 PolarHBondContact O-N 2.85Å; P112-S209 VanDerWaalsContact CB-O 3.31Å; P112-S209 WeakPolarHBondContact CB-O 3.49Å; P112-A211 WeakPolarHBondContact CG-O 3.47Å; P112-F243 HydrophobicContact CB-CE2 4Å; P112-F243 HydrophobicContact CG-CE2 4.01Å; P112-F243 HydrophobicContact CG-CZ 4.05Å; P112-F243 WeakPolarHBondContact O-CD2 3.11Å
113G82.5Confident81.9Confident42 Ų4228.5 Ų28.543%0.43317%0.172SC..THydrogen-bonded Turntrans81.3-8.7-176.500000115K111 T207K111-G113 PolarHBondContact O-N 3.09Å; G113-T207 WeakPolarHBondContact CA-O 3.49Å; G113-T207 PolarHBondContact N-O 2.76Å; G113-T207 VanDerWaalsContact N-O 3.1Å; G113-T207 PolarHBondContact N-OG1 3.34Å
114L84.4Confident81Confident19 Ų1927.9 Ų27.910%0.09917%0.171CC..SBendtrans-112.8141.7175.6-63177.9000110.6K111 P112 Y116 T207 F243 Q245K111-L114 HydrophobicContact CB-CB 4.18Å; K111-L114 HydrophobicContact CB-CD1 4.06Å; K111-L114 HydrophobicContact CB-CG 4.5Å; K111-L114 HydrophobicContact CD-CD1 4.42Å; K111-L114 PolarHBondContact O-N 3.23Å; K111-L114 VanDerWaalsContact O-O 3.13Å; P112-L114 PolarHBondContact O-N 2.85Å; L114-Y116 PolarHBondContact O-N 2.85Å; L114-T207 PolarHBondContact N-OG1 3.46Å; L114-T207 WeakPolarHBondContact O-CB 3.37Å; L114-T207 VanDerWaalsContact O-CG2 3.24Å; L114-T207 WeakPolarHBondContact O-CG2 3.36Å; L114-T207 PolarHBondContact O-OG1 2.98Å; L114-F243 HydrophobicContact CD1-CB 4.03Å; L114-Q245 HydrophobicContact CD1-CB 3.88Å
115N87Confident80.1Confident54 Ų5425.3 Ų25.329%0.28915%0.154SC..  trans-63132.5-175.4-66.67.5000111.1I205 Q245N115-I205 CarbonylContact C-O 3.53Å; N115-I205 VanDerWaalsContact CA-O 3.27Å; N115-I205 WeakPolarHBondContact CA-O 3.17Å; N115-Q245 PolarHBondContact O-NE2 3.07Å
116Y86.5Confident78.7Confident3 Ų328.1 Ų28.11%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-95.3130.6174-174.8-103.6000110.3R105 A107 F110 L114 F118 I205 L214 I216 I233R105-Y116 WeakPolarHBondContact CB-OH 3.4Å; A107-Y116 HydrophobicContact CB-CE2 4.26Å; A107-Y116 WeakPolarHBondContact O-CE2 3.37Å; A107-Y116 PolarHBondContact O-OH 3.42Å; F110-Y116 HydrophobicContact CB-CD2 3.34Å; F110-Y116 HydrophobicContact CB-CE2 3.96Å; F110-Y116 HydrophobicContact CB-CG 3.83Å; L114-Y116 PolarHBondContact O-N 2.85Å; Y116-F118 AromaticContact CD1-CD1 3.87Å; Y116-F118 HydrophobicContact CD1-CD1 3.87Å; Y116-F118 HydrophobicContact CE1-CB 3.99Å; Y116-F118 HydrophobicContact CE1-CD1 4Å; Y116-F118 HydrophobicContact CE1-CG 4.38Å; Y116-I205 PolarHBondContact N-O 3.01Å; Y116-I205 PolarHBondContact O-N 3.43Å; Y116-L214 HydrophobicContact CD1-CD2 3.93Å; Y116-L214 HydrophobicContact CE1-CD2 4.44Å; Y116-L214 HydrophobicContact CG-CD2 4.44Å; Y116-I216 HydrophobicContact CD1-CD1 4.37Å; Y116-I216 HydrophobicContact CE1-CD1 4.03Å; Y116-I233 HydrophobicContact CD1-CD1 4.42Å; Y116-I233 HydrophobicContact CE1-CD1 3.49Å; Y116-I233 VanDerWaalsContact CE1-CD1 3.49Å; Y116-I233 HydrophobicContact CE2-CG2 4.26Å; Y116-I233 WeakPolarHBondContact OH-CD1 3.36Å
117T83.9Confident77.5Confident40 Ų4027.5 Ų27.525%0.24516%0.155CC..EExtended strand (participates in β ladder)trans-109.8132.2-177.459.80000110.6G106 M203 N204G106-T117 VanDerWaalsContact CA-O 3.24Å; G106-T117 WeakPolarHBondContact CA-O 2.96Å; G106-T117 PolarHBondContact N-O 2.88Å; G106-T117 VanDerWaalsContact N-O 3.09Å; T117-M203 VanDerWaalsContact CA-O 3.26Å; T117-M203 WeakPolarHBondContact CA-O 3.48Å; T117-N204 HydrophobicContact CG2-CB 4.45Å; T117-N204 WeakPolarHBondContact CG2-OD1 2.76Å
118F86.9Confident75.9Confident3 Ų329.9 Ų29.91%0.01316%0.162CC..EExtended strand (participates in β ladder)trans-147.9158.5173.262.8-79.9000109.9I103 T104 Y116 V120 L154 M203 I205 I216I103-F118 HydrophobicContact CG2-CD2 4.08Å; T104-F118 WeakPolarHBondContact O-CA 3.42Å; T104-F118 WeakPolarHBondContact O-CB 2.98Å; Y116-F118 AromaticContact CD1-CD1 3.87Å; Y116-F118 HydrophobicContact CD1-CD1 3.87Å; Y116-F118 HydrophobicContact CE1-CB 3.99Å; Y116-F118 HydrophobicContact CE1-CD1 4Å; Y116-F118 HydrophobicContact CE1-CG 4.38Å; F118-V120 HydrophobicContact CD2-CG2 3.93Å; F118-V120 HydrophobicContact CE2-CG2 3.55Å; F118-L154 HydrophobicContact CE2-CD1 4.12Å; F118-L154 HydrophobicContact CZ-CD1 3.86Å; F118-L154 HydrophobicContact CZ-CD2 4.05Å; F118-M203 HydrophobicContact CD1-CB 4.15Å; F118-M203 HydrophobicContact CD2-CB 4.28Å; F118-M203 HydrophobicContact CE1-CB 3.68Å; F118-M203 HydrophobicContact CE2-CB 3.84Å; F118-M203 HydrophobicContact CE2-CG 4.09Å; F118-M203 HydrophobicContact CG-CB 4.43Å; F118-M203 HydrophobicContact CZ-CB 3.52Å; F118-M203 HydrophobicContact CZ-CG 4.04Å; F118-M203 PolarHBondContact N-O 3.02Å; F118-M203 PolarHBondContact O-N 2.85Å; F118-I205 HydrophobicContact CE1-CD1 3.39Å; F118-I205 HydrophobicContact CE1-CG1 3.73Å; F118-I205 HydrophobicContact CZ-CD1 3.67Å; F118-I205 HydrophobicContact CZ-CG1 4.28Å; F118-I216 HydrophobicContact CD1-CD1 3.67Å; F118-I216 HydrophobicContact CD2-CD1 4.11Å; F118-I216 HydrophobicContact CD2-CG2 4.45Å; F118-I216 HydrophobicContact CE1-CD1 3.75Å; F118-I216 HydrophobicContact CE2-CD1 4.17Å; F118-I216 HydrophobicContact CE2-CG2 3.83Å; F118-I216 HydrophobicContact CG-CD1 3.85Å; F118-I216 HydrophobicContact CZ-CD1 4.01Å; F118-I216 HydrophobicContact CZ-CG2 4Å
119M84Confident74.1Confident57 Ų5730.1 Ų30.128%0.28116%0.163SC..EExtended strand (participates in β ladder)trans-106.5133.8177.1-173.717663.400110.2T104 T200 V202T104-M119 PolarHBondContact N-O 3.38Å; T104-M119 PolarHBondContact O-N 3.01Å; M119-T200 HydrophobicContact SD-CG2 4.2Å; M119-V202 HydrophobicContact CG-CG2 4.45Å
120V87.5Confident71.9Confident0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-102125.6168.2-179.20000107.7L101 F118 V152 L195 T200 K201 M203 V218L101-V120 HydrophobicContact CD2-CG1 4.17Å; F118-V120 HydrophobicContact CD2-CG2 3.93Å; F118-V120 HydrophobicContact CE2-CG2 3.55Å; V120-V152 HydrophobicContact CG1-CG2 4.38Å; V120-L195 HydrophobicContact CB-CD2 4.49Å; V120-L195 HydrophobicContact CG1-CD2 4.37Å; V120-T200 CarbonylContact O-C 3.53Å; V120-T200 WeakPolarHBondContact O-CA 3.29Å; V120-K201 PolarHBondContact N-O 3.42Å; V120-K201 PolarHBondContact O-N 3.14Å; V120-M203 HydrophobicContact CG2-CG 4.25Å; V120-V218 HydrophobicContact CG1-CG1 3.84Å; V120-V218 HydrophobicContact CG1-CG2 4.35Å; V120-V218 HydrophobicContact CG2-CG2 3.95Å
121S82.3Confident69.6Low10 Ų1043.7 Ų43.77%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-122.2134.8175-48.60000109.5L101 V102 G199L101-S121 CarbonylContact C-O 3.59Å; L101-S121 WeakPolarHBondContact CA-O 3.17Å; V102-S121 PolarHBondContact N-O 3.02Å; V102-S121 PolarHBondContact O-N 3.16Å; S121-G199 WeakPolarHBondContact CA-O 3.41Å
122I81.4Confident67.2Low1 Ų146 Ų461%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-101125162.2-61.3161.6000107V99 K100 L101 I144 V152 L195 G199 Y220V99-I122 HydrophobicContact CB-CG2 3.84Å; V99-I122 HydrophobicContact CG1-CG2 3.95Å; K100-I122 WeakPolarHBondContact O-CA 3.43Å; L101-I122 HydrophobicContact CD2-CB 4.45Å; L101-I122 HydrophobicContact CD2-CD1 4.33Å; L101-I122 HydrophobicContact CD2-CG1 3.36Å; L101-I122 HydrophobicContact CG-CG1 4.36Å; I122-I144 HydrophobicContact CB-CD1 3.4Å; I122-I144 VanDerWaalsContact CB-CD1 3.4Å; I122-I144 HydrophobicContact CB-CG1 4.19Å; I122-I144 HydrophobicContact CD1-CD1 4.23Å; I122-I144 HydrophobicContact CG1-CD1 4.44Å; I122-I144 HydrophobicContact CG2-CD1 3.43Å; I122-I144 VanDerWaalsContact CG2-CD1 3.43Å; I122-I144 HydrophobicContact CG2-CG1 3.88Å; I122-I144 WeakPolarHBondContact O-CD1 3.4Å; I122-I144 VanDerWaalsContact O-CG1 3.28Å; I122-I144 WeakPolarHBondContact O-CG1 3.25Å; I122-V152 HydrophobicContact CD1-CG1 3.54Å; I122-V152 HydrophobicContact CG1-CG1 4.01Å; I122-L195 HydrophobicContact CB-CD1 4.08Å; I122-L195 HydrophobicContact CD1-CD1 3.22Å; I122-L195 HydrophobicContact CD1-CG 4.19Å; I122-L195 HydrophobicContact CG1-CD1 3.41Å; I122-L195 VanDerWaalsContact CG1-CD1 3.41Å; I122-G199 PolarHBondContact N-O 3.35Å; I122-Y220 HydrophobicContact CD1-CD2 3.79Å; I122-Y220 HydrophobicContact CD1-CE2 3.81Å; I122-Y220 HydrophobicContact CG1-CD2 4.32Å; I122-Y220 HydrophobicContact CG2-CD2 4.48Å; I122-Y220 HydrophobicContact CG2-CE2 4.28Å
123L75.3Confident64.6Low42 Ų4252 Ų5222%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-110.1137.8174.7-62.2170.6000108.2V99 K100 V102 D141V99-L123 CarbonylContact C-O 3.58Å; V99-L123 VanDerWaalsContact CA-O 3.27Å; V99-L123 WeakPolarHBondContact CA-O 3.16Å; K100-L123 PolarHBondContact N-O 3.46Å; K100-L123 PolarHBondContact O-N 3.35Å; V102-L123 HydrophobicContact CG2-CD1 3.75Å; L123-D141 HydrophobicContact CD1-CB 4.01Å; L123-D141 WeakPolarHBondContact CD1-OD1 3.17Å
124A66Low62.1Low11 Ų1151.9 Ų51.99%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-87.2129.5173.600000109.9Q142A124-Q142 PolarHBondContact N-O 3.3Å; A124-Q142 PolarHBondContact O-N 2.87Å
125F60.4Low59.4Low9 Ų955.1 Ų55.14%0.03930%0.304CS..  trans-86.4126.8160.8-59.9-61.6000108.2H95 P98 K100 F127 D140H95-F125 HydrophobicContact CB-CD2 3.78Å; H95-F125 HydrophobicContact CB-CE2 4.01Å; H95-F125 HydrophobicContact CB-CG 4.19Å; H95-F125 AromaticContact CD2-CD1 3.63Å; H95-F125 AromaticContact CD2-CE1 3.84Å; H95-F125 AromaticContact CD2-CG 3.73Å; H95-F125 AromaticContact CE1-CE1 3.56Å; H95-F125 AromaticContact CE1-CE2 3.96Å; H95-F125 AromaticContact CE1-CZ 3.4Å; H95-F125 WeakPolarHBondContact CE1-CZ 3.44Å; H95-F125 AromaticContact CG-CD2 3.65Å; H95-F125 AromaticContact CG-CE2 3.59Å; H95-F125 AromaticContact CG-CG 3.82Å; H95-F125 AromaticContact CG-CZ 3.82Å; H95-F125 AromaticContact ND1-CE1 3.92Å; H95-F125 AromaticContact ND1-CE2 3.47Å; H95-F125 WeakPolarHBondContact ND1-CE2 3.24Å; H95-F125 AromaticContact ND1-CZ 3.4Å; H95-F125 WeakPolarHBondContact ND1-CZ 3.39Å; H95-F125 AromaticContact NE2-CD1 3.74Å; H95-F125 AromaticContact NE2-CE1 3.53Å; H95-F125 AromaticContact NE2-CZ 3.83Å; P98-F125 PolarHBondContact O-N 3.45Å; K100-F125 HydrophobicContact CB-CD2 4.13Å; K100-F125 HydrophobicContact CB-CE1 4.37Å; K100-F125 HydrophobicContact CB-CE2 3.17Å; K100-F125 HydrophobicContact CB-CZ 3.32Å; K100-F125 HydrophobicContact CD-CE1 4.27Å; K100-F125 HydrophobicContact CD-CE2 4.11Å; K100-F125 HydrophobicContact CD-CZ 3.4Å; K100-F125 VanDerWaalsContact CD-CZ 3.4Å; K100-F125 HydrophobicContact CG-CE2 4.28Å; K100-F125 HydrophobicContact CG-CZ 4.03Å; F125-F127 PolarHBondContact O-N 3.04Å; F125-F127 VanDerWaalsContact O-N 3.08Å; F125-D140 HydrophobicContact CD1-CB 4.5Å
126K47.9Very low56.8Low142 Ų14253.5 Ų53.562%0.61730%0.298SS*.SBendtrans-67.6-8.9175.6-148.1171-173.4166.60112.8
127F46.8Very low54.4Low29 Ų2958.9 Ų58.913%0.12732%0.322CS..  trans-101.7109.9-179-78.1-91.6000112.1V92 F125 I134 A136V92-F127 HydrophobicContact CG1-CE1 4.22Å; V92-F127 HydrophobicContact CG1-CE2 4.26Å; V92-F127 HydrophobicContact CG1-CZ 3.96Å; F125-F127 PolarHBondContact O-N 3.04Å; F125-F127 VanDerWaalsContact O-N 3.08Å; F127-I134 HydrophobicContact CD1-CG2 4.01Å; F127-I134 HydrophobicContact CE1-CG2 3.51Å; F127-A136 HydrophobicContact CE1-CB 4.11Å; F127-A136 HydrophobicContact CZ-CB 3.6Å
128L39.8Very low52.4Low84 Ų8461.3 Ų61.344%0.4435%0.346SS..  trans-106.4155171-88.6165.6000109.7P98 P130P98-L128 HydrophobicContact CB-CD1 4.03Å; P98-L128 HydrophobicContact CB-CD2 3.3Å; P98-L128 HydrophobicContact CB-CG 3.67Å; P98-L128 VanDerWaalsContact CD-CD2 3.45Å; P98-L128 HydrophobicContact CG-CD2 3.53Å; P98-L128 HydrophobicContact CG-CG 4.41Å; L128-P130 HydrophobicContact CB-CG 3.87Å; L128-P130 WeakPolarHBondContact O-CD 3.42Å
129L34.2Very low50.5Low60 Ų6065.8 Ų65.831%0.31437%0.367SS..  trans-93.383.8156.5-71.8165.9000109.7N54N54-L129 HydrophobicContact CB-CD2 4.15Å; N54-L129 VanDerWaalsContact CG-CD2 3.42Å; N54-L129 VanDerWaalsContact ND2-CD2 3.25Å; N54-L129 WeakPolarHBondContact ND2-CD2 3.49Å
130P36.2Very low49Very low73 Ų7366.3 Ų66.347%0.47437%0.371SS..  trans-108.5161158.923-1.9000110.4L128 G132L128-P130 HydrophobicContact CB-CG 3.87Å; L128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-G132 PolarHBondContact O-N 3.36Å
131K37.1Very low47.6Very low225 Ų22570.1 Ų70.198%0.97839%0.392SS*.SBendtrans-60.798.9176.2-71-177.7176.7-178.70110.1
132G35Very low46.7Very low57 Ų5772.8 Ų72.859%0.58840%0.403SS*.SBendtrans101.6119.9164.400000115.5P130P130-G132 PolarHBondContact O-N 3.36Å
133I30.6Very low45.9Very low132 Ų13277.3 Ų77.368%0.67743%0.432SS*.  trans86.299.2160.3-46.4170.2000116.3
134I31.3Very low45.5Very low39 Ų3976 Ų7620%0.243%0.426CS..  trans-99.8129.3170.5-62.6173.4000110.3N54 F127N54-I134 WeakPolarHBondContact OD1-CD1 3.28Å; F127-I134 HydrophobicContact CD1-CG2 4.01Å; F127-I134 HydrophobicContact CE1-CG2 3.51Å
135A27.6Very low45.5Very low86 Ų8678.9 Ų78.971%0.71144%0.443SS*.  trans-114.5103.2164.800000109.9K137A135-K137 PolarHBondContact O-N 3.26Å
136A32.6Very low45.6Very low20 Ų2082.7 Ų82.717%0.16548%0.476CS..  trans-77.5116.5-179.200000112.3M1 F127M1-A136 HydrophobicContact CB-CB 3.83Å; M1-A136 HydrophobicContact CG-CB 4.27Å; F127-A136 HydrophobicContact CE1-CB 4.11Å; F127-A136 HydrophobicContact CZ-CB 3.6Å
137K36.1Very low46.5Very low117 Ų11783 Ų8351%0.50948%0.484SS..  trans-125.3131.8152.3-93.5-175.2173.8-1790106.9A135 Q139A135-K137 PolarHBondContact O-N 3.26Å; K137-Q139 VanDerWaalsContact C-N 3.26Å; K137-Q139 PolarHBondContact O-N 3.27Å
138A42Very low47.6Very low91 Ų9182.9 Ų82.975%0.75249%0.489SS*.  trans-74.372.3-178.300000111.6
139Q45.8Very low49.3Very low97 Ų9782.6 Ų82.645%0.45349%0.491SS..  trans-130.594.5169.8-93.4-179-36.900108.5K137 Q142K137-Q139 VanDerWaalsContact C-N 3.26Å; K137-Q139 PolarHBondContact O-N 3.27Å; Q139-Q142 HydrophobicContact CB-CG 4.18Å
140D53Low51.6Low67 Ų6783 Ų8336%0.35849%0.488SS..  trans-79.9166.7161.9-69.9-28.5000109.5F125 Q142F125-D140 HydrophobicContact CD1-CB 4.5Å; D140-Q142 PolarHBondContact O-N 3.47Å
141D58.4Low54Low81 Ų8184.2 Ų84.243%0.43349%0.486SS..SBendtrans60.542.6175.3-56.4-30.4000115L123L123-D141 HydrophobicContact CD1-CB 4.01Å; L123-D141 WeakPolarHBondContact CD1-OD1 3.17Å
142Q64Low56.5Low65 Ų6573.5 Ų73.530%0.30444%0.439SS..BIsolated β-bridgetrans-83.9155.4173.9-65.5-62-6500112.1A124 Q139 D140A124-Q142 PolarHBondContact N-O 3.3Å; A124-Q142 PolarHBondContact O-N 2.87Å; Q139-Q142 HydrophobicContact CB-CG 4.18Å; D140-Q142 PolarHBondContact O-N 3.47Å
143P62.9Low59.3Low96 Ų9672.5 Ų72.562%0.62342%0.418SS*.PPolyproline II helixtrans-58.1145.7169.3-19.230.5000111.3
144I67.5Low62.2Low16 Ų1666.2 Ų66.28%0.08239%0.386CS..PPolyproline II helixtrans-69.2141.5-177.3-42.6164.4000110.4I122 A148I122-I144 HydrophobicContact CB-CD1 3.4Å; I122-I144 VanDerWaalsContact CB-CD1 3.4Å; I122-I144 HydrophobicContact CB-CG1 4.19Å; I122-I144 HydrophobicContact CD1-CD1 4.23Å; I122-I144 HydrophobicContact CG1-CD1 4.44Å; I122-I144 HydrophobicContact CG2-CD1 3.43Å; I122-I144 VanDerWaalsContact CG2-CD1 3.43Å; I122-I144 HydrophobicContact CG2-CG1 3.88Å; I122-I144 WeakPolarHBondContact O-CD1 3.4Å; I122-I144 VanDerWaalsContact O-CG1 3.28Å; I122-I144 WeakPolarHBondContact O-CG1 3.25Å; I144-A148 HydrophobicContact CG2-CB 3.37Å
145P65.6Low65.1Low70 Ų7065.8 Ų65.846%0.45538%0.384SS..PPolyproline II helixtrans-51.4147.1168.8-27.535.6000113.4D147 A148P145-D147 WeakPolarHBondContact CB-OD1 3.44Å; P145-D147 PolarHBondContact O-N 3.13Å; P145-A148 PolarHBondContact O-N 3Å
146A62.9Low68.2Low90 Ų9061.7 Ų61.774%0.74435%0.35SS*.THydrogen-bonded Turntrans-64.2-21.1-173.700000114.4
147D67.3Low70.9Confident147 Ų14761.2 Ų61.279%0.78635%0.345SS*.THydrogen-bonded Turntrans-91.6-9.4-178.260.1-41.1000114.3P145P145-D147 WeakPolarHBondContact CB-OD1 3.44Å; P145-D147 PolarHBondContact O-N 3.13Å
148A69.8Low73.5Confident27 Ų2756 Ų5622%0.22332%0.322CS..SBendtrans-76.8148-177.200000113.1I144 P145 R150I144-A148 HydrophobicContact CG2-CB 3.37Å; P145-A148 PolarHBondContact O-N 3Å; A148-R150 PolarHBondContact O-N 3.46Å; A148-R150 VanDerWaalsContact O-N 3.14Å
149T75Confident75.6Confident78 Ų7853 Ų5348%0.47930%0.295SS..  trans-61.3113.2175.3-52.90000111.5K151 Y220T149-K151 HydrophobicContact CG2-CB 3.91Å; T149-K151 HydrophobicContact CG2-CG 4.26Å; T149-K151 PolarHBondContact O-N 3.2Å; T149-Y220 VanDerWaalsContact O-CE2 3.23Å; T149-Y220 WeakPolarHBondContact O-CE2 3.25Å; T149-Y220 PolarHBondContact O-OH 2.71Å
150R82.6Confident77.2Confident68 Ų6849 Ų4926%0.25728%0.277SS..  trans-89.318.6177.2-64.1177.7-176.2157.8-0.7113.6A148 E194 L195 D196A148-R150 PolarHBondContact O-N 3.46Å; A148-R150 VanDerWaalsContact O-N 3.14Å; R150-E194 WeakPolarHBondContact O-CA 3.42Å; R150-L195 HydrophobicContact CB-CB 4.35Å; R150-L195 PolarHBondContact O-N 3.46Å; R150-D196 WeakPolarHBondContact CD-O 3.46Å
151K87.6Confident78Confident99 Ų9953.4 Ų53.443%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-95.9136.9-178.5-61.8-172.1178.6-178.60110.8T149 M192 L193 G221T149-K151 HydrophobicContact CG2-CB 3.91Å; T149-K151 HydrophobicContact CG2-CG 4.26Å; T149-K151 PolarHBondContact O-N 3.2Å; K151-M192 HydrophobicContact CB-SD 3.91Å; K151-L193 CarbonylContact C-O 3.58Å; K151-L193 WeakPolarHBondContact CA-O 3.39Å; K151-G221 VanDerWaalsContact O-CA 3.25Å; K151-G221 WeakPolarHBondContact O-CA 3.06Å; K151-G221 PolarHBondContact O-N 3.13Å
152V90Very high77.9Confident0 Ų051.2 Ų51.20%028%0.279CS..EExtended strand (participates in β ladder)trans-135.7139.5176.3-59.40000110.9L101 V120 I122 L193 L195 V218 R219L101-V152 HydrophobicContact CD2-CG1 3.8Å; V120-V152 HydrophobicContact CG1-CG2 4.38Å; I122-V152 HydrophobicContact CD1-CG1 3.54Å; I122-V152 HydrophobicContact CG1-CG1 4.01Å; V152-L193 HydrophobicContact CG2-CB 3.79Å; V152-L193 HydrophobicContact CG2-CD1 4.19Å; V152-L193 HydrophobicContact CG2-CG 4.47Å; V152-L193 PolarHBondContact N-O 3.06Å; V152-L193 PolarHBondContact O-N 2.97Å; V152-L195 HydrophobicContact CG1-CD1 4.24Å; V152-L195 HydrophobicContact CG1-CG 4.47Å; V152-L195 HydrophobicContact CG2-CD2 3.98Å; V152-L195 HydrophobicContact CG2-CG 4.44Å; V152-V218 HydrophobicContact CB-CG1 3.76Å; V152-V218 HydrophobicContact CG1-CG1 4.33Å; V152-V218 HydrophobicContact CG2-CG1 3.93Å; V152-R219 CarbonylContact C-O 3.46Å; V152-R219 VanDerWaalsContact CA-O 3.27Å; V152-R219 WeakPolarHBondContact CA-O 3.4Å; V152-R219 WeakPolarHBondContact CB-O 3.44Å
153Y92.1Very high77.4Confident36 Ų3655.5 Ų55.514%0.14130%0.304CS..EExtended strand (participates in β ladder)trans-86.7115.1170-171.1-106.4000109.3N155 S190 M192 V218 R219 E223Y153-N155 HydrophobicContact CE1-CB 4.29Å; Y153-S190 VanDerWaalsContact OH-CB 3.25Å; Y153-S190 WeakPolarHBondContact OH-CB 3.48Å; Y153-S190 PolarHBondContact OH-OG 3Å; Y153-M192 VanDerWaalsContact CA-CE 3.49Å; Y153-M192 VanDerWaalsContact CB-CE 3.43Å; Y153-M192 HydrophobicContact CD2-CE 3.52Å; Y153-M192 HydrophobicContact CG-CE 3.94Å; Y153-V218 CarbonylContact O-C 3.5Å; Y153-V218 WeakPolarHBondContact O-CA 3.2Å; Y153-R219 PolarHBondContact N-O 2.94Å; Y153-R219 PolarHBondContact O-N 3.19Å; Y153-E223 HydrophobicContact CD1-CB 3.79Å; Y153-E223 HydrophobicContact CD1-CG 3.9Å; Y153-E223 HydrophobicContact CD2-CB 4.26Å; Y153-E223 HydrophobicContact CE1-CB 3.74Å; Y153-E223 VanDerWaalsContact CE1-CD 3.45Å; Y153-E223 HydrophobicContact CE1-CG 3.45Å; Y153-E223 VanDerWaalsContact CE1-CG 3.45Å; Y153-E223 VanDerWaalsContact CE1-OE1 3.29Å; Y153-E223 WeakPolarHBondContact CE1-OE1 3.44Å; Y153-E223 HydrophobicContact CE2-CB 4.26Å; Y153-E223 HydrophobicContact CG-CB 4.03Å; Y153-E223 VanDerWaalsContact CZ-OE1 3.29Å; Y153-E223 PolarHBondContact OH-OE1 2.63Å; Y153-E223 PolarHBondContact OH-OE2 3.16Å
154L92.5Very high76.5Confident0 Ų059 Ų590%031%0.312CS..EExtended strand (participates in β ladder)trans-98.6133.1173.3168.371000108.9F118 Y189 S190 R191 L193 M203 I205 I216 V218F118-L154 HydrophobicContact CE2-CD1 4.12Å; F118-L154 HydrophobicContact CZ-CD1 3.86Å; F118-L154 HydrophobicContact CZ-CD2 4.05Å; L154-Y189 HydrophobicContact CD2-CE1 4.26Å; L154-S190 CarbonylContact O-C 3.53Å; L154-S190 VanDerWaalsContact O-CA 3.26Å; L154-S190 WeakPolarHBondContact O-CA 3.24Å; L154-R191 PolarHBondContact N-O 3.32Å; L154-R191 PolarHBondContact O-N 3.48Å; L154-L193 HydrophobicContact CB-CD1 3.64Å; L154-L193 HydrophobicContact CB-CG 4.18Å; L154-L193 HydrophobicContact CD2-CD1 3.72Å; L154-L193 HydrophobicContact CG-CD1 4.28Å; L154-M203 HydrophobicContact CD2-CE 3.86Å; L154-I205 HydrophobicContact CD2-CD1 4.08Å; L154-I216 HydrophobicContact CD1-CG2 3.71Å; L154-V218 HydrophobicContact CD1-CG2 3.75Å
155N92.4Very high75.2Confident31 Ų3163.1 Ų63.117%0.16634%0.342CS..EExtended strand (participates in β ladder)trans-125.8122.3169.4-179.219.4000108.9Y153 Y189 S190 E217Y153-N155 HydrophobicContact CE1-CB 4.29Å; N155-Y189 CarbonylContact C-O 3.54Å; N155-Y189 WeakPolarHBondContact CA-O 3.31Å; N155-S190 PolarHBondContact OD1-OG 3.46Å; N155-E217 PolarHBondContact N-O 3.02Å; N155-E217 PolarHBondContact O-N 3.44Å
156A91.6Very high73.9Confident0 Ų065 Ų650%035%0.352CS..EExtended strand (participates in β ladder)trans-116.9116.9175.500000108.9K188 Y189 I205 L214 R215A156-K188 CarbonylContact O-C 3.55Å; A156-K188 WeakPolarHBondContact O-CA 3.37Å; A156-Y189 HydrophobicContact CB-CD1 4.42Å; A156-Y189 PolarHBondContact N-O 2.84Å; A156-Y189 PolarHBondContact O-N 2.65Å; A156-I205 HydrophobicContact CB-CD1 3.65Å; A156-L214 HydrophobicContact CB-CD1 3.95Å; A156-R215 WeakPolarHBondContact CA-O 3.22Å
157D90.6Very high72.7Confident10 Ų1066.1 Ų66.15%0.05335%0.35CS..EExtended strand (participates in β ladder)trans-113110.7-177.5-174.112.8000109.5R186 K188 R215D157-R186 IonicContact OD2-CZ 2.8Å; D157-R186 IonicContact OD2-NH1 3.6Å; D157-R186 PolarHBondContact OD2-NH1 3.42Å; D157-K188 HydrophobicContact CB-CG 4.15Å; D157-K188 WeakPolarHBondContact OD1-CG 3.37Å; D157-R215 HydrophobicContact CB-CB 4.38Å; D157-R215 PolarHBondContact N-O 3.32Å; D157-R215 PolarHBondContact O-N 2.87Å
158F89.8Confident71.4Confident6 Ų666.1 Ų66.13%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-94.1130.5176.5-69.2-82.3000110.7F110 R186 E187 I205 T207 P208 A211 S213 L214F110-F158 HydrophobicContact CE2-CE1 4.36Å; F110-F158 HydrophobicContact CZ-CD1 4.37Å; F110-F158 HydrophobicContact CZ-CE1 4.46Å; F158-R186 VanDerWaalsContact O-CA 3.23Å; F158-R186 WeakPolarHBondContact O-CA 3.36Å; F158-E187 PolarHBondContact N-O 3.37Å; F158-E187 PolarHBondContact O-N 2.83Å; F158-I205 HydrophobicContact CE2-CG2 3.78Å; F158-I205 HydrophobicContact CZ-CG2 3.73Å; F158-T207 HydrophobicContact CE1-CG2 3.9Å; F158-T207 HydrophobicContact CZ-CG2 3.95Å; F158-P208 HydrophobicContact CB-CG 4.43Å; F158-P208 HydrophobicContact CD2-CG 4.27Å; F158-P208 HydrophobicContact CG-CG 4.25Å; F158-A211 HydrophobicContact CB-CB 4.3Å; F158-A211 HydrophobicContact CD1-CB 3.77Å; F158-A211 HydrophobicContact CG-CB 4.38Å; F158-S213 WeakPolarHBondContact CA-O 3.18Å; F158-L214 HydrophobicContact CD1-CB 3.95Å; F158-L214 HydrophobicContact CD1-CD1 3.97Å; F158-L214 HydrophobicContact CD1-CG 4.42Å; F158-L214 HydrophobicContact CD2-CD1 4.33Å; F158-L214 HydrophobicContact CE1-CB 3.83Å; F158-L214 HydrophobicContact CE1-CD1 3.67Å; F158-L214 HydrophobicContact CE1-CD2 3.93Å; F158-L214 HydrophobicContact CE1-CG 3.99Å; F158-L214 HydrophobicContact CE2-CD1 4.04Å; F158-L214 HydrophobicContact CG-CD1 4.3Å; F158-L214 HydrophobicContact CZ-CD1 3.71Å; F158-L214 HydrophobicContact CZ-CD2 4.12Å; F158-L214 HydrophobicContact CZ-CG 4.36Å
159V85.4Confident69.9Low29 Ų2972.8 Ų72.818%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-90.9122.9168.5-178.80000108.6P184 A211 L212 S213V159-P184 HydrophobicContact CG1-CB 3.92Å; V159-P184 HydrophobicContact CG1-CG 4.37Å; V159-A211 CarbonylContact O-C 3.58Å; V159-A211 WeakPolarHBondContact O-CA 3.19Å; V159-L212 PolarHBondContact O-N 3.25Å; V159-S213 PolarHBondContact N-O 3.16Å
160I80.7Confident68.2Low14 Ų1474 Ų747%0.07239%0.387CS..EExtended strand (participates in β ladder)trans-111.3141.9-175.7-58.7176.2000109.8S162 K185 E187 P208I160-S162 PolarHBondContact O-N 3.02Å; I160-K185 HydrophobicContact CB-CB 4.46Å; I160-K185 PolarHBondContact N-O 3.04Å; I160-E187 HydrophobicContact CD1-CB 3.82Å; I160-E187 HydrophobicContact CD1-CG 3.5Å; I160-E187 VanDerWaalsContact CD1-CG 3.5Å; I160-E187 VanDerWaalsContact CD1-OE1 3.31Å; I160-E187 WeakPolarHBondContact CD1-OE1 3.35Å; I160-E187 WeakPolarHBondContact CD1-OE2 3.23Å; I160-P208 HydrophobicContact CD1-CB 4.01Å; I160-P208 HydrophobicContact CD1-CG 4.19Å
161R68.9Low66.1Low159 Ų15978 Ų7860%0.641%0.414SS*.  trans-61.5126.5175.5-162.1177.9-77.2-170.5-2.1110.2G210 L212R161-G210 PolarHBondContact N-O 3.3Å; R161-L212 HydrophobicContact CB-CD1 4.02Å; R161-L212 HydrophobicContact CB-CD2 4.32Å; R161-L212 HydrophobicContact CB-CG 4.29Å; R161-L212 HydrophobicContact CG-CD1 4.42Å
162S57.5Low63.7Low34 Ų3478.2 Ų78.224%0.23843%0.428CS..  trans-93.1134.3174.579.20000110.2I160 Q164 Y182I160-S162 PolarHBondContact O-N 3.02Å; S162-Q164 VanDerWaalsContact C-N 3.3Å; S162-Q164 PolarHBondContact O-N 2.92Å; S162-Y182 PolarHBondContact OG-OH 3.1Å
163N52.2Low61.2Low156 Ų15686.6 Ų86.683%0.83447%0.467SS*.  trans-88.518179.4-80.50.2000113.4S165N163-S165 PolarHBondContact O-N 3.44Å; N163-S165 VanDerWaalsContact O-N 3.12Å
164Q44Very low58.5Low168 Ų16891.5 Ų91.579%0.78550%0.501SS*.  trans-82.794.6-177.1-73.9-175.9-12.700111.4S162 V166S162-Q164 VanDerWaalsContact C-N 3.3Å; S162-Q164 PolarHBondContact O-N 2.92Å; Q164-V166 PolarHBondContact O-N 2.94Å
165S40Very low55.8Low103 Ų10399.4 Ų99.472%0.7254%0.538SS*.  trans-72104.1160.952.90000109.1N163 V167N163-S165 PolarHBondContact O-N 3.44Å; N163-S165 VanDerWaalsContact O-N 3.12Å; S165-V167 PolarHBondContact O-N 3.32Å; S165-V167 VanDerWaalsContact O-N 3.11Å
166V39.4Very low53.1Low110 Ų110106.4 Ų106.467%0.66757%0.573SS**  trans-76.396.1170.6179.50000107.7Q164 N168Q164-V166 PolarHBondContact O-N 2.94Å; V166-N168 WeakPolarHBondContact CG1-OD1 3.47Å
167V37.8Very low50.6Low114 Ų114113 Ų11369%0.69161%0.607SS**  trans-86.798.3166-179.40000106.3S165 E169S165-V167 PolarHBondContact O-N 3.32Å; S165-V167 VanDerWaalsContact O-N 3.11Å; V167-E169 HydrophobicContact CG1-CG 4.4Å
168N39.7Very low48.1Very low146 Ų146116.7 Ų116.778%0.78164%0.639SS**  trans-93.292.5170.5-78.3-5.6000108.2V166V166-N168 WeakPolarHBondContact CG1-OD1 3.47Å
169E37.9Very low45.8Very low168 Ų168122.4 Ų122.479%0.78567%0.674SS**  trans-80.2138.7160.3-84.8-178.815500109.6V167V167-E169 HydrophobicContact CG1-CG 4.4Å
170S39.2Very low43.7Very low102 Ų102125.8 Ų125.871%0.71370%0.696SS**  trans51.4102.7163.460.70000117.9
171D38.7Very low42.1Very low154 Ų154130.5 Ų130.582%0.82473%0.728SS**  -173.6139.393.8-99.5-22.1000112.1E173D171-E173 PolarHBondContact O-N 3.07Å
172S37.2Very low41.2Very low103 Ų103130.6 Ų130.672%0.7273%0.73SS**  trans-63118.8171.2480000110.8
173E38.6Very low41.2Very low176 Ų176136 Ų13682%0.82275%0.754SS**  172.3142.7125-94.2175.1-178.100110D171 H175D171-E173 PolarHBondContact O-N 3.07Å; E173-H175 PolarHBondContact O-N 2.8Å
174T35.1Very low42Very low139 Ų139130 Ų13085%0.85372%0.723SS**  trans-60.793.2-169.744.10000113.2
175H34.9Very low43.6Very low166 Ų166127.5 Ų127.577%0.76971%0.71SS**  trans-120.8139.6150-81.6-66.3000108.8E173 I177E173-H175 PolarHBondContact O-N 2.8Å; H175-I177 WeakPolarHBondContact O-CG1 3.38Å; H175-I177 PolarHBondContact O-N 3.42Å
176I35.2Very low45.6Very low177 Ų177128.6 Ų128.691%0.90870%0.698SS**  trans-63.987174.7-59.4169.4000106.4A178I176-A178 PolarHBondContact O-N 3.18Å
177I39.9Very low47.8Very low139 Ų139127.3 Ų127.371%0.71369%0.685SS**  trans-69.7104.9177.8-56.4-178.6000105.6H175 V179H175-I177 WeakPolarHBondContact O-CG1 3.38Å; H175-I177 PolarHBondContact O-N 3.42Å; I177-V179 VanDerWaalsContact C-N 3.32Å; I177-V179 PolarHBondContact O-N 2.63Å
178A38.8Very low50.2Low87 Ų87128.6 Ų128.672%0.71968%0.682SS**  trans-53.6102.1161.500000107I176 P180I176-A178 PolarHBondContact O-N 3.18Å; A178-P180 VanDerWaalsContact O-CD 3.29Å; A178-P180 WeakPolarHBondContact O-CD 3.28Å
179V41.1Very low52.4Low127 Ų127125.8 Ų125.877%0.7766%0.661SS**  trans-54.6115.2172-1780000105.6I177I177-V179 VanDerWaalsContact C-N 3.32Å; I177-V179 PolarHBondContact O-N 2.63Å
180P41.6Very low54.8Low99 Ų99120.3 Ų120.364%0.64364%0.641SS**  trans-58.4132.8-178.221.3-29.4000107.5A178 Y182A178-P180 VanDerWaalsContact O-CD 3.29Å; A178-P180 WeakPolarHBondContact O-CD 3.28Å; P180-Y182 PolarHBondContact O-N 3.34Å; P180-Y182 VanDerWaalsContact O-N 3.1Å
181P45.7Very low57.2Low113 Ų113122.5 Ų122.573%0.73463%0.634SS**  trans-55.6124-17619.7-29.9000108.7I183P181-I183 WeakPolarHBondContact O-CG1 3.07Å; P181-I183 PolarHBondContact O-N 2.92Å
182Y50.8Low59.6Low162 Ų162118.9 Ų118.964%0.63561%0.613SS**  trans-54.8110.3174.8173.5-100.7000109.1S162 P180 P184S162-Y182 PolarHBondContact OG-OH 3.1Å; P180-Y182 PolarHBondContact O-N 3.34Å; P180-Y182 VanDerWaalsContact O-N 3.1Å; Y182-P184 HydrophobicContact CD1-CB 4.49Å; Y182-P184 HydrophobicContact CE1-CB 3.83Å; Y182-P184 HydrophobicContact CE1-CG 4.41Å; Y182-P184 WeakPolarHBondContact O-CD 3.44Å
183I58.1Low62Low148 Ų148114.6 Ų114.676%0.75958%0.582SS**  trans-94.6100.8175.3-59.2166.7000106.8P181P181-I183 WeakPolarHBondContact O-CG1 3.07Å; P181-I183 PolarHBondContact O-N 2.92Å
184P67.9Low64.3Low28 Ų28112.3 Ų112.318%0.18257%0.571CS.*  trans-62.9142.9176.525.2-32.9000110.3V159 Y182 R186V159-P184 HydrophobicContact CG1-CB 3.92Å; V159-P184 HydrophobicContact CG1-CG 4.37Å; Y182-P184 HydrophobicContact CD1-CB 4.49Å; Y182-P184 HydrophobicContact CE1-CB 3.83Å; Y182-P184 HydrophobicContact CE1-CG 4.41Å; Y182-P184 WeakPolarHBondContact O-CD 3.44Å; P184-R186 PolarHBondContact O-N 2.89Å
185K77.9Confident66.7Low117 Ų117106.1 Ų106.151%0.50953%0.533SS..EExtended strand (participates in β ladder)trans-60.5129.5171.3-172.1-177.4177.1-166.20108.5I160 E187I160-K185 HydrophobicContact CB-CB 4.46Å; I160-K185 PolarHBondContact N-O 3.04Å; K185-E187 IonicContact NZ-OE1 2.8Å
186R83.1Confident69Low125 Ų125101.2 Ų101.247%0.47251%0.512SS..EExtended strand (participates in β ladder)trans-124.4140.1178.3-69.7-178.5-176.2-130.90.1110.6D157 F158 P184D157-R186 IonicContact OD2-CZ 2.8Å; D157-R186 IonicContact OD2-NH1 3.6Å; D157-R186 PolarHBondContact OD2-NH1 3.42Å; F158-R186 VanDerWaalsContact O-CA 3.23Å; F158-R186 WeakPolarHBondContact O-CA 3.36Å; P184-R186 PolarHBondContact O-N 2.89Å
187E85.7Confident70.9Confident84 Ų8496.9 Ų96.939%0.39350%0.497SS..EExtended strand (participates in β ladder)trans-115.9121.4168.8-79.7174.8-161.300108.6F158 I160 K185 P208F158-E187 PolarHBondContact N-O 3.37Å; F158-E187 PolarHBondContact O-N 2.83Å; I160-E187 HydrophobicContact CD1-CB 3.82Å; I160-E187 HydrophobicContact CD1-CG 3.5Å; I160-E187 VanDerWaalsContact CD1-CG 3.5Å; I160-E187 VanDerWaalsContact CD1-OE1 3.31Å; I160-E187 WeakPolarHBondContact CD1-OE1 3.35Å; I160-E187 WeakPolarHBondContact CD1-OE2 3.23Å; K185-E187 IonicContact NZ-OE1 2.8Å; E187-P208 VanDerWaalsContact OE2-CG 3.31Å; E187-P208 WeakPolarHBondContact OE2-CG 3.18Å
188K86.5Confident72.5Confident141 Ų14195.6 Ų95.661%0.61349%0.492SS*.EExtended strand (participates in β ladder)trans-110.3131.9-177.4-67.9-177.4-179.6179.90110A156 D157A156-K188 CarbonylContact O-C 3.55Å; A156-K188 WeakPolarHBondContact O-CA 3.37Å; D157-K188 HydrophobicContact CB-CG 4.15Å; D157-K188 WeakPolarHBondContact OD1-CG 3.37Å
189Y86.4Confident74.4Confident86 Ų8691.5 Ų91.534%0.33746%0.458SS..EExtended strand (participates in β ladder)trans-118.2117.8172.9171.6-95.2000108.9L154 N155 A156 R191L154-Y189 HydrophobicContact CD2-CE1 4.26Å; N155-Y189 CarbonylContact C-O 3.54Å; N155-Y189 WeakPolarHBondContact CA-O 3.31Å; A156-Y189 HydrophobicContact CB-CD1 4.42Å; A156-Y189 PolarHBondContact N-O 2.84Å; A156-Y189 PolarHBondContact O-N 2.65Å; Y189-R191 HydrophobicContact CE1-CB 4.05Å; Y189-R191 WeakPolarHBondContact OH-CD 3.32Å
190S88.9Confident76.3Confident54 Ų5487 Ų8738%0.37843%0.431SS..EExtended strand (participates in β ladder)trans-121.3133.8176.9-64.60000110.9Y153 L154 N155Y153-S190 VanDerWaalsContact OH-CB 3.25Å; Y153-S190 WeakPolarHBondContact OH-CB 3.48Å; Y153-S190 PolarHBondContact OH-OG 3Å; L154-S190 CarbonylContact O-C 3.53Å; L154-S190 VanDerWaalsContact O-CA 3.26Å; L154-S190 WeakPolarHBondContact O-CA 3.24Å; N155-S190 PolarHBondContact OD1-OG 3.46Å
191R89Confident78.5Confident147 Ų14786.7 Ų86.756%0.55542%0.42SS*.EExtended strand (participates in β ladder)trans-152.8145.3177.6-172.4173.5177.1177.31.7112.3L154 Y189 L193L154-R191 PolarHBondContact N-O 3.32Å; L154-R191 PolarHBondContact O-N 3.48Å; Y189-R191 HydrophobicContact CE1-CB 4.05Å; Y189-R191 WeakPolarHBondContact OH-CD 3.32Å; R191-L193 HydrophobicContact CG-CD2 4.27Å
192M89.3Confident80.3Confident78 Ų7885.3 Ų85.338%0.38441%0.409SS..EExtended strand (participates in β ladder)trans-80.8125.7165.6-168.656.937.700110.6K151 Y153K151-M192 HydrophobicContact CB-SD 3.91Å; Y153-M192 VanDerWaalsContact CA-CE 3.49Å; Y153-M192 VanDerWaalsContact CB-CE 3.43Å; Y153-M192 HydrophobicContact CD2-CE 3.52Å; Y153-M192 HydrophobicContact CG-CE 3.94Å
193L87.2Confident81.9Confident13 Ų1378.3 Ų78.37%0.06838%0.382CS..EExtended strand (participates in β ladder)trans-114145.7-179-56.2173.1000110.3K151 V152 L154 R191 M203K151-L193 CarbonylContact C-O 3.58Å; K151-L193 WeakPolarHBondContact CA-O 3.39Å; V152-L193 HydrophobicContact CG2-CB 3.79Å; V152-L193 HydrophobicContact CG2-CD1 4.19Å; V152-L193 HydrophobicContact CG2-CG 4.47Å; V152-L193 PolarHBondContact N-O 3.06Å; V152-L193 PolarHBondContact O-N 2.97Å; L154-L193 HydrophobicContact CB-CD1 3.64Å; L154-L193 HydrophobicContact CB-CG 4.18Å; L154-L193 HydrophobicContact CD2-CD1 3.72Å; L154-L193 HydrophobicContact CG-CD1 4.28Å; R191-L193 HydrophobicContact CG-CD2 4.27Å; L193-M203 HydrophobicContact CD1-CE 3.69Å; L193-M203 HydrophobicContact CD1-CG 3.95Å; L193-M203 HydrophobicContact CD1-SD 3.43Å; L193-M203 WeakPolarHBondContact CD1-SD 3.35Å; L193-M203 HydrophobicContact CD2-CE 3.48Å; L193-M203 VanDerWaalsContact CD2-CE 3.48Å; L193-M203 HydrophobicContact CD2-SD 3.79Å; L193-M203 HydrophobicContact CG-CE 4.22Å; L193-M203 HydrophobicContact CG-SD 4.2Å
194E87.9Confident83.3Confident128 Ų12876.1 Ų76.160%0.59837%0.372SS*.EExtended strand (participates in β ladder)trans-110.5122.2170.4-168.1160.4-157.900108.9R150R150-E194 WeakPolarHBondContact O-CA 3.42Å
195L85.2Confident84.2Confident9 Ų975.2 Ų75.25%0.04737%0.366CS..  trans-79.8157.5180-52.2-171000111V120 I122 R150 V152 G199 K201V120-L195 HydrophobicContact CB-CD2 4.49Å; V120-L195 HydrophobicContact CG1-CD2 4.37Å; I122-L195 HydrophobicContact CB-CD1 4.08Å; I122-L195 HydrophobicContact CD1-CD1 3.22Å; I122-L195 HydrophobicContact CD1-CG 4.19Å; I122-L195 HydrophobicContact CG1-CD1 3.41Å; I122-L195 VanDerWaalsContact CG1-CD1 3.41Å; R150-L195 HydrophobicContact CB-CB 4.35Å; R150-L195 PolarHBondContact O-N 3.46Å; V152-L195 HydrophobicContact CG1-CD1 4.24Å; V152-L195 HydrophobicContact CG1-CG 4.47Å; V152-L195 HydrophobicContact CG2-CD2 3.98Å; V152-L195 HydrophobicContact CG2-CG 4.44Å; L195-G199 VanDerWaalsContact CD1-O 3.24Å; L195-G199 WeakPolarHBondContact CD1-O 3.37Å; L195-K201 HydrophobicContact CD2-CB 3.34Å; L195-K201 HydrophobicContact CD2-CG 4.39Å
196D82.7Confident84.6Confident63 Ų6376.9 Ų76.934%0.33738%0.375SS..  trans-68.8-178178.46727.6000113.2R150 N198 G199 T200R150-D196 WeakPolarHBondContact CD-O 3.46Å; D196-N198 PolarHBondContact O-N 3.29Å; D196-N198 WeakPolarHBondContact OD1-CA 3.35Å; D196-N198 WeakPolarHBondContact OD1-CB 3.47Å; D196-N198 PolarHBondContact OD1-N 3.39Å; D196-G199 PolarHBondContact O-N 3.46Å; D196-G199 PolarHBondContact OD1-N 2.85Å; D196-T200 WeakPolarHBondContact CB-O 3.42Å; D196-T200 VanDerWaalsContact CG-OG1 3.27Å; D196-T200 PolarHBondContact N-O 2.89Å; D196-T200 PolarHBondContact OD1-N 3.49Å; D196-T200 VanDerWaalsContact OD1-O 3.14Å; D196-T200 PolarHBondContact OD1-OG1 3.41Å; D196-T200 PolarHBondContact OD2-OG1 2.82Å
197S74.8Confident84.9Confident86 Ų8671.4 Ų71.460%0.60136%0.356SS*.THydrogen-bonded Turntrans-60.8-2517954.80000114.4G199S197-G199 VanDerWaalsContact C-N 3.31Å
198N73.4Confident84.9Confident112 Ų11268.7 Ų68.760%0.59935%0.345SS*.THydrogen-bonded Turntrans-87.7-4.5179.4-65.9-4.6000111.9D196D196-N198 PolarHBondContact O-N 3.29Å; D196-N198 WeakPolarHBondContact OD1-CA 3.35Å; D196-N198 WeakPolarHBondContact OD1-CB 3.47Å; D196-N198 PolarHBondContact OD1-N 3.39Å
199G79.3Confident84.6Confident1 Ų165.8 Ų65.81%0.0134%0.343CS..SBendtrans8122.8-175.900000113S121 I122 L195 D196 S197S121-G199 WeakPolarHBondContact CA-O 3.41Å; I122-G199 PolarHBondContact N-O 3.35Å; L195-G199 VanDerWaalsContact CD1-O 3.24Å; L195-G199 WeakPolarHBondContact CD1-O 3.37Å; D196-G199 PolarHBondContact O-N 3.46Å; D196-G199 PolarHBondContact OD1-N 2.85Å; S197-G199 VanDerWaalsContact C-N 3.31Å
200T82Confident84.3Confident33 Ų3363.1 Ų63.120%0.20234%0.341CS..EExtended strand (participates in β ladder)trans-119.7155.2-178.847.10000111.9M119 V120 D196M119-T200 HydrophobicContact SD-CG2 4.2Å; V120-T200 CarbonylContact O-C 3.53Å; V120-T200 WeakPolarHBondContact O-CA 3.29Å; D196-T200 WeakPolarHBondContact CB-O 3.42Å; D196-T200 VanDerWaalsContact CG-OG1 3.27Å; D196-T200 PolarHBondContact N-O 2.89Å; D196-T200 PolarHBondContact OD1-N 3.49Å; D196-T200 VanDerWaalsContact OD1-O 3.14Å; D196-T200 PolarHBondContact OD1-OG1 3.41Å; D196-T200 PolarHBondContact OD2-OG1 2.82Å
201K85.9Confident84.1Confident92 Ų9260.6 Ų60.640%0.432%0.324SS..EExtended strand (participates in β ladder)trans-152.9125.3166.8-169.573.9175.5-172.80109.4V120 L195 M203V120-K201 PolarHBondContact N-O 3.42Å; V120-K201 PolarHBondContact O-N 3.14Å; L195-K201 HydrophobicContact CD2-CB 3.34Å; L195-K201 HydrophobicContact CD2-CG 4.39Å; K201-M203 HydrophobicContact CG-SD 3.84Å
202V83.7Confident83.8Confident84 Ų8455.4 Ų55.451%0.50931%0.307SS..EExtended strand (participates in β ladder)trans-79.2126168.3-176.80000108.4M119M119-V202 HydrophobicContact CG-CG2 4.45Å
203M86.3Confident83.7Confident16 Ų1653.2 Ų53.28%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-110.7131-178.9-68.7-54.7-58.400109.9T117 F118 V120 L154 L193 K201T117-M203 VanDerWaalsContact CA-O 3.26Å; T117-M203 WeakPolarHBondContact CA-O 3.48Å; F118-M203 HydrophobicContact CD1-CB 4.15Å; F118-M203 HydrophobicContact CD2-CB 4.28Å; F118-M203 HydrophobicContact CE1-CB 3.68Å; F118-M203 HydrophobicContact CE2-CB 3.84Å; F118-M203 HydrophobicContact CE2-CG 4.09Å; F118-M203 HydrophobicContact CG-CB 4.43Å; F118-M203 HydrophobicContact CZ-CB 3.52Å; F118-M203 HydrophobicContact CZ-CG 4.04Å; F118-M203 PolarHBondContact N-O 3.02Å; F118-M203 PolarHBondContact O-N 2.85Å; V120-M203 HydrophobicContact CG2-CG 4.25Å; L154-M203 HydrophobicContact CD2-CE 3.86Å; L193-M203 HydrophobicContact CD1-CE 3.69Å; L193-M203 HydrophobicContact CD1-CG 3.95Å; L193-M203 HydrophobicContact CD1-SD 3.43Å; L193-M203 WeakPolarHBondContact CD1-SD 3.35Å; L193-M203 HydrophobicContact CD2-CE 3.48Å; L193-M203 VanDerWaalsContact CD2-CE 3.48Å; L193-M203 HydrophobicContact CD2-SD 3.79Å; L193-M203 HydrophobicContact CG-CE 4.22Å; L193-M203 HydrophobicContact CG-SD 4.2Å; K201-M203 HydrophobicContact CG-SD 3.84Å
204N85.8Confident83.7Confident102 Ų10252.6 Ų52.655%0.54530%0.296SS..EExtended strand (participates in β ladder)trans-114.2111.1172.6-62.6-14000107.4T117T117-N204 HydrophobicContact CG2-CB 4.45Å; T117-N204 WeakPolarHBondContact CG2-OD1 2.76Å
205I87.7Confident83.9Confident9 Ų950.4 Ų50.45%0.04628%0.282CS..EExtended strand (participates in β ladder)trans-105.4130.8178.4-65.9-176.8000109.1N115 Y116 F118 L154 A156 F158 T207N115-I205 CarbonylContact C-O 3.53Å; N115-I205 VanDerWaalsContact CA-O 3.27Å; N115-I205 WeakPolarHBondContact CA-O 3.17Å; Y116-I205 PolarHBondContact N-O 3.01Å; Y116-I205 PolarHBondContact O-N 3.43Å; F118-I205 HydrophobicContact CE1-CD1 3.39Å; F118-I205 HydrophobicContact CE1-CG1 3.73Å; F118-I205 HydrophobicContact CZ-CD1 3.67Å; F118-I205 HydrophobicContact CZ-CG1 4.28Å; L154-I205 HydrophobicContact CD2-CD1 4.08Å; A156-I205 HydrophobicContact CB-CD1 3.65Å; F158-I205 HydrophobicContact CE2-CG2 3.78Å; F158-I205 HydrophobicContact CZ-CG2 3.73Å; I205-T207 PolarHBondContact O-N 2.89Å
206E87.1Confident84.2Confident152 Ų15250 Ų5071%0.7128%0.28SS*.PPolyproline II helixtrans-68.6126.3171-63-177.4174.600109.5
207T88.3Confident84.7Confident9 Ų947.6 Ų47.66%0.05527%0.267CS..PPolyproline II helixtrans-98.9130.2-17968.80000109.9F110 K111 G113 L114 F158 I205F110-T207 HydrophobicContact CD2-CG2 3.79Å; F110-T207 HydrophobicContact CE2-CG2 4.41Å; F110-T207 HydrophobicContact CG-CG2 4.45Å; K111-T207 PolarHBondContact O-OG1 3.03Å; G113-T207 WeakPolarHBondContact CA-O 3.49Å; G113-T207 PolarHBondContact N-O 2.76Å; G113-T207 VanDerWaalsContact N-O 3.1Å; G113-T207 PolarHBondContact N-OG1 3.34Å; L114-T207 PolarHBondContact N-OG1 3.46Å; L114-T207 WeakPolarHBondContact O-CB 3.37Å; L114-T207 VanDerWaalsContact O-CG2 3.24Å; L114-T207 WeakPolarHBondContact O-CG2 3.36Å; L114-T207 PolarHBondContact O-OG1 2.98Å; F158-T207 HydrophobicContact CE1-CG2 3.9Å; F158-T207 HydrophobicContact CZ-CG2 3.95Å; I205-T207 PolarHBondContact O-N 2.89Å
208P86.5Confident85.5Confident27 Ų2743.5 Ų43.518%0.17524%0.238CC..PPolyproline II helixtrans-61.6143.6175.1-2333000111.5F158 I160 E187 G210 A211F158-P208 HydrophobicContact CB-CG 4.43Å; F158-P208 HydrophobicContact CD2-CG 4.27Å; F158-P208 HydrophobicContact CG-CG 4.25Å; I160-P208 HydrophobicContact CD1-CB 4.01Å; I160-P208 HydrophobicContact CD1-CG 4.19Å; E187-P208 VanDerWaalsContact OE2-CG 3.31Å; E187-P208 WeakPolarHBondContact OE2-CG 3.18Å; P208-G210 PolarHBondContact O-N 2.9Å; P208-G210 VanDerWaalsContact O-N 3.11Å; P208-A211 HydrophobicContact CB-CB 4.26Å; P208-A211 HydrophobicContact CG-CB 4.49Å; P208-A211 WeakPolarHBondContact O-CB 3.47Å; P208-A211 PolarHBondContact O-N 2.85Å; P208-A211 VanDerWaalsContact O-N 3.13Å
209S79.4Confident86.4Confident80 Ų8041.5 Ų41.556%0.55922%0.222SC*.THydrogen-bonded Turntrans-61.7-21.7-177.555.70000114.3P112 N241P112-S209 VanDerWaalsContact CB-O 3.31Å; P112-S209 WeakPolarHBondContact CB-O 3.49Å; S209-N241 PolarHBondContact O-ND2 3.48Å; S209-N241 PolarHBondContact O-OD1 3.27Å
210G79.4Confident86.7Confident30 Ų3043.5 Ų43.531%0.30923%0.23SC..THydrogen-bonded Turntrans-105.611.9178.200000115.3R161 P208R161-G210 PolarHBondContact N-O 3.3Å; P208-G210 PolarHBondContact O-N 2.9Å; P208-G210 VanDerWaalsContact O-N 3.11Å
211A85.4Confident86.9Confident1 Ų143.2 Ų43.21%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-72134.9-176.500000112F110 P112 F158 V159 P208F110-A211 HydrophobicContact CE2-CB 3.76Å; F110-A211 HydrophobicContact CZ-CB 3.79Å; P112-A211 WeakPolarHBondContact CG-O 3.47Å; F158-A211 HydrophobicContact CB-CB 4.3Å; F158-A211 HydrophobicContact CD1-CB 3.77Å; F158-A211 HydrophobicContact CG-CB 4.38Å; V159-A211 CarbonylContact O-C 3.58Å; V159-A211 WeakPolarHBondContact O-CA 3.19Å; P208-A211 HydrophobicContact CB-CB 4.26Å; P208-A211 HydrophobicContact CG-CB 4.49Å; P208-A211 WeakPolarHBondContact O-CB 3.47Å; P208-A211 PolarHBondContact O-N 2.85Å; P208-A211 VanDerWaalsContact O-N 3.13Å
212L83.2Confident86.9Confident39 Ų3941.6 Ų41.620%0.20423%0.234CC..EExtended strand (participates in β ladder)trans-104.8-33.5-177.1-59.1176.6000112.8V159 R161 S235 R237V159-L212 PolarHBondContact O-N 3.25Å; R161-L212 HydrophobicContact CB-CD1 4.02Å; R161-L212 HydrophobicContact CB-CD2 4.32Å; R161-L212 HydrophobicContact CB-CG 4.29Å; R161-L212 HydrophobicContact CG-CD1 4.42Å; L212-S235 PolarHBondContact O-N 2.73Å; L212-S235 VanDerWaalsContact O-N 3.17Å; L212-S235 PolarHBondContact O-OG 3.01Å; L212-R237 PolarHBondContact O-NH2 3.4Å
213S87.1Confident86.9Confident31 Ų3142.3 Ų42.322%0.21723%0.231CC..EExtended strand (participates in β ladder)trans-151.7153.2177.562.60000110.3F158 V159 D234F158-S213 WeakPolarHBondContact CA-O 3.18Å; V159-S213 PolarHBondContact N-O 3.16Å; S213-D234 WeakPolarHBondContact CB-OD1 3.35Å
214L87.7Confident86.7Confident0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-125.6123.3-179.9166.559000108.6F110 Y116 A156 F158 I216 I233F110-L214 HydrophobicContact CD1-CB 3.96Å; F110-L214 HydrophobicContact CE1-CB 3.74Å; F110-L214 HydrophobicContact CZ-CB 4.41Å; Y116-L214 HydrophobicContact CD1-CD2 3.93Å; Y116-L214 HydrophobicContact CE1-CD2 4.44Å; Y116-L214 HydrophobicContact CG-CD2 4.44Å; A156-L214 HydrophobicContact CB-CD1 3.95Å; F158-L214 HydrophobicContact CD1-CB 3.95Å; F158-L214 HydrophobicContact CD1-CD1 3.97Å; F158-L214 HydrophobicContact CD1-CG 4.42Å; F158-L214 HydrophobicContact CD2-CD1 4.33Å; F158-L214 HydrophobicContact CE1-CB 3.83Å; F158-L214 HydrophobicContact CE1-CD1 3.67Å; F158-L214 HydrophobicContact CE1-CD2 3.93Å; F158-L214 HydrophobicContact CE1-CG 3.99Å; F158-L214 HydrophobicContact CE2-CD1 4.04Å; F158-L214 HydrophobicContact CG-CD1 4.3Å; F158-L214 HydrophobicContact CZ-CD1 3.71Å; F158-L214 HydrophobicContact CZ-CD2 4.12Å; F158-L214 HydrophobicContact CZ-CG 4.36Å; L214-I216 HydrophobicContact CD1-CG1 4Å; L214-I216 HydrophobicContact CD2-CD1 3.97Å; L214-I216 HydrophobicContact CD2-CG1 3.9Å; L214-I216 HydrophobicContact CG-CD1 4.39Å; L214-I216 HydrophobicContact CG-CG1 3.79Å; L214-I233 HydrophobicContact CD2-CD1 4.24Å; L214-I233 PolarHBondContact N-O 2.91Å; L214-I233 PolarHBondContact O-N 3.32Å
215R91.9Very high86.6Confident82 Ų8244.5 Ų44.531%0.30925%0.245SC..EExtended strand (participates in β ladder)trans-101.6117.3165.1178.2-174.4170.7170.9-8.7109A156 D157 E217 D231 Y232A156-R215 WeakPolarHBondContact CA-O 3.22Å; D157-R215 HydrophobicContact CB-CB 4.38Å; D157-R215 PolarHBondContact N-O 3.32Å; D157-R215 PolarHBondContact O-N 2.87Å; R215-E217 IonicContact CZ-OE2 3.23Å; R215-E217 IonicContact NE-OE2 4Å; R215-E217 IonicContact NH2-OE2 2.7Å; R215-E217 PolarHBondContact NH2-OE2 3.48Å; R215-D231 WeakPolarHBondContact CA-O 2.97Å; R215-Y232 HydrophobicContact CB-CD1 3.86Å; R215-Y232 HydrophobicContact CB-CE1 3.68Å; R215-Y232 WeakPolarHBondContact CD-OH 3.43Å; R215-Y232 HydrophobicContact CG-CD1 4.04Å; R215-Y232 HydrophobicContact CG-CE1 3.57Å; R215-Y232 PolarHBondContact NE-OH 3.46Å; R215-Y232 PolarHBondContact NH1-OH 3.48Å
216I91.4Very high86.1Confident0 Ų047.5 Ų47.50%027%0.267CS..EExtended strand (participates in β ladder)trans-97128.8170.7-55.8179.7000107.5I103 Y116 F118 L154 L214 V218 Y230 D231 I233I103-I216 HydrophobicContact CD1-CB 4.36Å; I103-I216 HydrophobicContact CD1-CG2 3.86Å; Y116-I216 HydrophobicContact CD1-CD1 4.37Å; Y116-I216 HydrophobicContact CE1-CD1 4.03Å; F118-I216 HydrophobicContact CD1-CD1 3.67Å; F118-I216 HydrophobicContact CD2-CD1 4.11Å; F118-I216 HydrophobicContact CD2-CG2 4.45Å; F118-I216 HydrophobicContact CE1-CD1 3.75Å; F118-I216 HydrophobicContact CE2-CD1 4.17Å; F118-I216 HydrophobicContact CE2-CG2 3.83Å; F118-I216 HydrophobicContact CG-CD1 3.85Å; F118-I216 HydrophobicContact CZ-CD1 4.01Å; F118-I216 HydrophobicContact CZ-CG2 4Å; L154-I216 HydrophobicContact CD1-CG2 3.71Å; L214-I216 HydrophobicContact CD1-CG1 4Å; L214-I216 HydrophobicContact CD2-CD1 3.97Å; L214-I216 HydrophobicContact CD2-CG1 3.9Å; L214-I216 HydrophobicContact CG-CD1 4.39Å; L214-I216 HydrophobicContact CG-CG1 3.79Å; I216-V218 HydrophobicContact CG2-CG2 4.23Å; I216-Y230 CarbonylContact O-C 3.56Å; I216-Y230 WeakPolarHBondContact O-CA 3.41Å; I216-Y230 WeakPolarHBondContact O-CB 3.39Å; I216-D231 PolarHBondContact N-O 3.2Å; I216-D231 PolarHBondContact O-N 3.31Å; I216-I233 HydrophobicContact CD1-CD1 3.51Å; I216-I233 HydrophobicContact CG1-CD1 4.1Å
217E92.6Very high85.9Confident14 Ų1441 Ų417%0.06524%0.237CC..EExtended strand (participates in β ladder)trans-131127.1171.2-177.5173.4168.300109N155 R215 R219 A229N155-E217 PolarHBondContact N-O 3.02Å; N155-E217 PolarHBondContact O-N 3.44Å; R215-E217 IonicContact CZ-OE2 3.23Å; R215-E217 IonicContact NE-OE2 4Å; R215-E217 IonicContact NH2-OE2 2.7Å; R215-E217 PolarHBondContact NH2-OE2 3.48Å; E217-R219 HydrophobicContact CG-CG 4.4Å; E217-R219 IonicContact OE1-CZ 3.5Å; E217-R219 VanDerWaalsContact OE1-CZ 3.24Å; E217-R219 IonicContact OE1-NE 3.22Å; E217-R219 PolarHBondContact OE1-NE 2.87Å; E217-R219 IonicContact OE1-NH2 2.76Å; E217-R219 PolarHBondContact OE1-NH2 3.31Å; E217-A229 CarbonylContact C-O 3.58Å; E217-A229 WeakPolarHBondContact CA-O 3.38Å
218V91.7Very high85.8Confident0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-119.4133.3177.9-173.70000108.3L101 I103 V120 V152 Y153 L154 I216 Y228 A229L101-V218 HydrophobicContact CD1-CB 4.41Å; L101-V218 HydrophobicContact CD1-CG1 4Å; L101-V218 WeakPolarHBondContact CD1-O 3.35Å; L101-V218 HydrophobicContact CD2-CG1 3.93Å; I103-V218 HydrophobicContact CD1-CG2 3.97Å; I103-V218 HydrophobicContact CG1-CG2 4.04Å; V120-V218 HydrophobicContact CG1-CG1 3.84Å; V120-V218 HydrophobicContact CG1-CG2 4.35Å; V120-V218 HydrophobicContact CG2-CG2 3.95Å; V152-V218 HydrophobicContact CB-CG1 3.76Å; V152-V218 HydrophobicContact CG1-CG1 4.33Å; V152-V218 HydrophobicContact CG2-CG1 3.93Å; Y153-V218 CarbonylContact O-C 3.5Å; Y153-V218 WeakPolarHBondContact O-CA 3.2Å; L154-V218 HydrophobicContact CD1-CG2 3.75Å; I216-V218 HydrophobicContact CG2-CG2 4.23Å; V218-Y228 CarbonylContact O-C 3.56Å; V218-Y228 WeakPolarHBondContact O-CA 3.34Å; V218-Y228 WeakPolarHBondContact O-CB 3.29Å; V218-A229 PolarHBondContact N-O 3.15Å; V218-A229 PolarHBondContact O-N 2.72Å
219R91.5Very high85.8Confident70 Ų7045.9 Ų45.926%0.26426%0.255SS..EExtended strand (participates in β ladder)trans-124.9142178.5-57.2-168.8166-152.1-3.3111.2V152 Y153 E217 S222 E223 V227V152-R219 CarbonylContact C-O 3.46Å; V152-R219 VanDerWaalsContact CA-O 3.27Å; V152-R219 WeakPolarHBondContact CA-O 3.4Å; V152-R219 WeakPolarHBondContact CB-O 3.44Å; Y153-R219 PolarHBondContact N-O 2.94Å; Y153-R219 PolarHBondContact O-N 3.19Å; E217-R219 HydrophobicContact CG-CG 4.4Å; E217-R219 IonicContact OE1-CZ 3.5Å; E217-R219 VanDerWaalsContact OE1-CZ 3.24Å; E217-R219 IonicContact OE1-NE 3.22Å; E217-R219 PolarHBondContact OE1-NE 2.87Å; E217-R219 IonicContact OE1-NH2 2.76Å; E217-R219 PolarHBondContact OE1-NH2 3.31Å; R219-S222 WeakPolarHBondContact CB-O 2.97Å; R219-E223 WeakPolarHBondContact CD-O 3.32Å; R219-E223 PolarHBondContact NH1-O 3.19Å; R219-V227 WeakPolarHBondContact CA-O 3.31Å
220Y86.7Confident86.3Confident43 Ų4348 Ų4817%0.16925%0.252CS..EExtended strand (participates in β ladder)trans-80.5124.8-173.7179.9-102.4000112V99 I122 T149 S222 S225 V227V99-Y220 HydrophobicContact CG2-CD1 4.11Å; V99-Y220 HydrophobicContact CG2-CD2 4Å; V99-Y220 HydrophobicContact CG2-CE1 4.08Å; V99-Y220 HydrophobicContact CG2-CE2 3.97Å; V99-Y220 HydrophobicContact CG2-CG 4.06Å; I122-Y220 HydrophobicContact CD1-CD2 3.79Å; I122-Y220 HydrophobicContact CD1-CE2 3.81Å; I122-Y220 HydrophobicContact CG1-CD2 4.32Å; I122-Y220 HydrophobicContact CG2-CD2 4.48Å; I122-Y220 HydrophobicContact CG2-CE2 4.28Å; T149-Y220 VanDerWaalsContact O-CE2 3.23Å; T149-Y220 WeakPolarHBondContact O-CE2 3.25Å; T149-Y220 PolarHBondContact O-OH 2.71Å; Y220-S222 PolarHBondContact O-N 3.03Å; Y220-S225 WeakPolarHBondContact O-CB 3.28Å; Y220-S225 PolarHBondContact O-OG 2.87Å; Y220-V227 PolarHBondContact N-O 3.33Å
221G85.6Confident86.6Confident27 Ų2748 Ų4828%0.27825%0.245SC..SBendtrans76.6-50.3174.500000115.4K151K151-G221 VanDerWaalsContact O-CA 3.25Å; K151-G221 WeakPolarHBondContact O-CA 3.06Å; K151-G221 PolarHBondContact O-N 3.13Å
222S86Confident86.5Confident58 Ų5853.6 Ų53.641%0.40627%0.266SS..SBendtrans-145.7168.2-177.468.30000112.7R219 Y220 D224 S225R219-S222 WeakPolarHBondContact CB-O 2.97Å; Y220-S222 PolarHBondContact O-N 3.03Å; S222-D224 VanDerWaalsContact C-N 3.33Å; S222-D224 PolarHBondContact O-N 2.97Å; S222-S225 VanDerWaalsContact O-CB 3.29Å; S222-S225 WeakPolarHBondContact O-CB 3.44Å; S222-S225 PolarHBondContact O-N 3.33Å
223E82.9Confident86.6Confident98 Ų9851.8 Ų51.846%0.45826%0.257SS..THydrogen-bonded Turntrans-64.1-33.7176.6-177.9164.2-14500112.9Y153 R219 S225Y153-E223 HydrophobicContact CD1-CB 3.79Å; Y153-E223 HydrophobicContact CD1-CG 3.9Å; Y153-E223 HydrophobicContact CD2-CB 4.26Å; Y153-E223 HydrophobicContact CE1-CB 3.74Å; Y153-E223 VanDerWaalsContact CE1-CD 3.45Å; Y153-E223 HydrophobicContact CE1-CG 3.45Å; Y153-E223 VanDerWaalsContact CE1-CG 3.45Å; Y153-E223 VanDerWaalsContact CE1-OE1 3.29Å; Y153-E223 WeakPolarHBondContact CE1-OE1 3.44Å; Y153-E223 HydrophobicContact CE2-CB 4.26Å; Y153-E223 HydrophobicContact CG-CB 4.03Å; Y153-E223 VanDerWaalsContact CZ-OE1 3.29Å; Y153-E223 PolarHBondContact OH-OE1 2.63Å; Y153-E223 PolarHBondContact OH-OE2 3.16Å; R219-E223 WeakPolarHBondContact CD-O 3.32Å; R219-E223 PolarHBondContact NH1-O 3.19Å; E223-S225 PolarHBondContact O-N 3.03Å
224D83.4Confident86.5Confident146 Ų14654.5 Ų54.578%0.78127%0.269SS*.THydrogen-bonded Turntrans-85.16.2-179.6-60.2-45.7000113.9S222 S226S222-D224 VanDerWaalsContact C-N 3.33Å; S222-D224 PolarHBondContact O-N 2.97Å; D224-S226 PolarHBondContact O-N 3.35Å
225S82.3Confident86.3Confident19 Ų1954.6 Ų54.613%0.13327%0.27CS..  trans-66.8134.7-176.7-172.70000112.5Y220 S222 E223 V227Y220-S225 WeakPolarHBondContact O-CB 3.28Å; Y220-S225 PolarHBondContact O-OG 2.87Å; S222-S225 VanDerWaalsContact O-CB 3.29Å; S222-S225 WeakPolarHBondContact O-CB 3.44Å; S222-S225 PolarHBondContact O-N 3.33Å; E223-S225 PolarHBondContact O-N 3.03Å; S225-V227 PolarHBondContact O-N 3.33Å; S225-V227 PolarHBondContact OG-N 3.41Å
226S78.9Confident85.9Confident71 Ų7151.2 Ų51.250%0.49726%0.258SS..SBendtrans-79.1-6.1174.453.40000113.6H97 D224 Y228H97-S226 PolarHBondContact CE1-OG 2.67Å; D224-S226 PolarHBondContact O-N 3.35Å; S226-Y228 WeakPolarHBondContact O-CD1 3.46Å
227V81.2Confident85.4Confident15 Ų1553.6 Ų53.69%0.09127%0.267CS..  trans-94.3107171.5-170.20000108.4H97 V99 L101 R219 Y220 S225H97-V227 HydrophobicContact CB-CG2 3.62Å; V99-V227 HydrophobicContact CG2-CG1 4.28Å; V99-V227 WeakPolarHBondContact O-CG1 3.46Å; L101-V227 HydrophobicContact CD1-CG1 4.49Å; R219-V227 WeakPolarHBondContact CA-O 3.31Å; Y220-V227 PolarHBondContact N-O 3.33Å; S225-V227 PolarHBondContact O-N 3.33Å; S225-V227 PolarHBondContact OG-N 3.41Å
228Y86.2Confident85Confident124 Ų12453.8 Ų53.849%0.48627%0.27SS..EExtended strand (participates in β ladder)trans-140.5156.9-178.469.2-81.1000112.3V218 S226 Y230V218-Y228 CarbonylContact O-C 3.56Å; V218-Y228 WeakPolarHBondContact O-CA 3.34Å; V218-Y228 WeakPolarHBondContact O-CB 3.29Å; S226-Y228 WeakPolarHBondContact O-CD1 3.46Å; Y228-Y230 AromaticContact CD2-CD1 3.9Å; Y228-Y230 HydrophobicContact CD2-CD1 3.9Å; Y228-Y230 AromaticContact CE2-CD1 3.57Å; Y228-Y230 HydrophobicContact CE2-CD1 3.57Å; Y228-Y230 AromaticContact CE2-CE1 3.86Å; Y228-Y230 HydrophobicContact CE2-CE1 3.86Å
229A86.5Confident84.5Confident15 Ų1557.3 Ų57.312%0.12429%0.293CS..EExtended strand (participates in β ladder)trans-128.7142.816600000107.8L101 I103 E217 V218L101-A229 HydrophobicContact CB-CB 3.66Å; L101-A229 WeakPolarHBondContact O-CB 3.31Å; I103-A229 HydrophobicContact CD1-CB 4Å; I103-A229 HydrophobicContact CG1-CB 4.05Å; E217-A229 CarbonylContact C-O 3.58Å; E217-A229 WeakPolarHBondContact CA-O 3.38Å; V218-A229 PolarHBondContact N-O 3.15Å; V218-A229 PolarHBondContact O-N 2.72Å
230Y90.5Very high84.2Confident124 Ų12456 Ų5649%0.48629%0.294SS..EExtended strand (participates in β ladder)trans-136.3156.5173.468.3-87.4000110.7I216 Y228 Y232I216-Y230 CarbonylContact O-C 3.56Å; I216-Y230 WeakPolarHBondContact O-CA 3.41Å; I216-Y230 WeakPolarHBondContact O-CB 3.39Å; Y228-Y230 AromaticContact CD2-CD1 3.9Å; Y228-Y230 HydrophobicContact CD2-CD1 3.9Å; Y228-Y230 AromaticContact CE2-CD1 3.57Å; Y228-Y230 HydrophobicContact CE2-CD1 3.57Å; Y228-Y230 AromaticContact CE2-CE1 3.86Å; Y228-Y230 HydrophobicContact CE2-CE1 3.86Å; Y230-Y232 AromaticContact CD2-CD2 3.93Å; Y230-Y232 HydrophobicContact CD2-CD2 3.93Å; Y230-Y232 AromaticContact CD2-CE2 3.54Å; Y230-Y232 HydrophobicContact CD2-CE2 3.54Å; Y230-Y232 HydrophobicContact CE2-CD2 4.09Å; Y230-Y232 AromaticContact CE2-CE2 3.65Å; Y230-Y232 HydrophobicContact CE2-CE2 3.65Å
231D86Confident84.1Confident30 Ų3057.2 Ų57.216%0.1630%0.304CS..EExtended strand (participates in β ladder)trans-146.8149.2177.1-152.2-2.3000111I103 R105 R215 I216I103-D231 HydrophobicContact CD1-CB 4.26Å; I103-D231 HydrophobicContact CG2-CB 4.25Å; R105-D231 VanDerWaalsContact CG-OD2 3.27Å; R105-D231 WeakPolarHBondContact CG-OD2 3.34Å; R105-D231 IonicContact CZ-OD1 3.45Å; R105-D231 IonicContact CZ-OD2 3.24Å; R105-D231 IonicContact NE-OD1 3.67Å; R105-D231 PolarHBondContact NE-OD1 3.09Å; R105-D231 IonicContact NE-OD2 3.48Å; R105-D231 PolarHBondContact NE-OD2 3.21Å; R105-D231 IonicContact NH2-OD1 3.42Å; R105-D231 PolarHBondContact NH2-OD1 3.46Å; R105-D231 IonicContact NH2-OD2 2.79Å; R215-D231 WeakPolarHBondContact CA-O 2.97Å; I216-D231 PolarHBondContact N-O 3.2Å; I216-D231 PolarHBondContact O-N 3.31Å
232Y84.3Confident84.2Confident119 Ų11957.5 Ų57.547%0.46730%0.299SS..EExtended strand (participates in β ladder)trans-119.9123.8178-71.6-86.7000109.5R105 R215 Y230R105-Y232 PolarHBondContact NH2-O 3.13Å; R215-Y232 HydrophobicContact CB-CD1 3.86Å; R215-Y232 HydrophobicContact CB-CE1 3.68Å; R215-Y232 WeakPolarHBondContact CD-OH 3.43Å; R215-Y232 HydrophobicContact CG-CD1 4.04Å; R215-Y232 HydrophobicContact CG-CE1 3.57Å; R215-Y232 PolarHBondContact NE-OH 3.46Å; R215-Y232 PolarHBondContact NH1-OH 3.48Å; Y230-Y232 AromaticContact CD2-CD2 3.93Å; Y230-Y232 HydrophobicContact CD2-CD2 3.93Å; Y230-Y232 AromaticContact CD2-CE2 3.54Å; Y230-Y232 HydrophobicContact CD2-CE2 3.54Å; Y230-Y232 HydrophobicContact CE2-CD2 4.09Å; Y230-Y232 AromaticContact CE2-CE2 3.65Å; Y230-Y232 HydrophobicContact CE2-CE2 3.65Å
233I84.8Confident84.3Confident1 Ų155.1 Ų55.11%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-129.3122.9-173.8-56.5148.2000107.8F110 Y116 L214 I216F110-I233 HydrophobicContact CB-CG2 4.43Å; F110-I233 HydrophobicContact CD1-CG2 4Å; F110-I233 WeakPolarHBondContact CE1-O 3.2Å; Y116-I233 HydrophobicContact CD1-CD1 4.42Å; Y116-I233 HydrophobicContact CE1-CD1 3.49Å; Y116-I233 VanDerWaalsContact CE1-CD1 3.49Å; Y116-I233 HydrophobicContact CE2-CG2 4.26Å; Y116-I233 WeakPolarHBondContact OH-CD1 3.36Å; L214-I233 HydrophobicContact CD2-CD1 4.24Å; L214-I233 PolarHBondContact N-O 2.91Å; L214-I233 PolarHBondContact O-N 3.32Å; I216-I233 HydrophobicContact CD1-CD1 3.51Å; I216-I233 HydrophobicContact CG1-CD1 4.1Å
234D84.2Confident84.4Confident89 Ų8950.5 Ų50.548%0.47626%0.26SS..EExtended strand (participates in β ladder)trans-87.7156.9176.7-65.2-46000111.1H109 F110 S213H109-D234 WeakPolarHBondContact CA-O 3.4Å; H109-D234 WeakPolarHBondContact CB-O 3.25Å; F110-D234 WeakPolarHBondContact CD1-O 3.42Å; F110-D234 PolarHBondContact N-O 3.32Å; F110-D234 VanDerWaalsContact N-O 3.09Å; S213-D234 WeakPolarHBondContact CB-OD1 3.35Å
235S83.1Confident84.5Confident2 Ų244.2 Ų44.21%0.01423%0.226CC..BIsolated β-bridgetrans-82.9148.7177.463.60000112F110 L212 R237F110-S235 CarbonylContact O-C 3.36Å; F110-S235 VanDerWaalsContact O-CA 3.25Å; F110-S235 WeakPolarHBondContact O-CA 3.35Å; L212-S235 PolarHBondContact O-N 2.73Å; L212-S235 VanDerWaalsContact O-N 3.17Å; L212-S235 PolarHBondContact O-OG 3.01Å; S235-R237 PolarHBondContact OG-NH1 2.72Å
236V83.6Confident84.4Confident11 Ų1143.9 Ų43.97%0.06722%0.223CC..PPolyproline II helixtrans-62.6147.5161.5-178.70000110H109 F110 K111 F243 S444H109-V236 HydrophobicContact CB-CG2 3.68Å; F110-V236 PolarHBondContact O-N 3.48Å; K111-V236 HydrophobicContact CG-CB 4.21Å; K111-V236 HydrophobicContact CG-CG2 3.99Å; V236-F243 HydrophobicContact CB-CD1 4.13Å; V236-F243 HydrophobicContact CB-CE1 4.09Å; V236-F243 HydrophobicContact CG1-CD1 3.96Å; V236-F243 HydrophobicContact CG1-CE1 4.03Å; V236-F243 WeakPolarHBondContact O-CE1 3.44Å; V236-S444 CarbonylContact C-O 3.55Å; V236-S444 WeakPolarHBondContact CA-O 3.37Å; V236-S444 WeakPolarHBondContact CG1-O 3.08Å
237R82.5Confident84.5Confident49 Ų4942.3 Ų42.319%0.18521%0.208CC..  trans-112.3125.6-174.6-63.7-88.6-174.4-110.3-11.7110.9L212 S235 S444 Y464 E466L212-R237 PolarHBondContact O-NH2 3.4Å; S235-R237 PolarHBondContact OG-NH1 2.72Å; R237-S444 PolarHBondContact N-O 3.02Å; R237-Y464 HydrophobicContact CB-CE1 3.97Å; R237-Y464 WeakPolarHBondContact O-CD1 3.03Å; R237-E466 WeakPolarHBondContact CD-OE1 3.29Å; R237-E466 VanDerWaalsContact CG-OE1 3.29Å; R237-E466 WeakPolarHBondContact CG-OE1 3.49Å; R237-E466 IonicContact NE-OE1 3.24Å; R237-E466 PolarHBondContact NE-OE1 3.32Å
238S82.4Confident84.4Confident19 Ų1944.2 Ų44.213%0.13322%0.221CC..  trans-136.7134.1174.3161.10000109S240 N241 N242 E334S238-S240 PolarHBondContact OG-N 3.02Å; S238-S240 PolarHBondContact OG-OG 2.89Å; S238-N241 PolarHBondContact O-N 3.09Å; S238-N241 VanDerWaalsContact O-N 3.15Å; S238-N241 PolarHBondContact OG-N 3.06Å; S238-N242 WeakPolarHBondContact CB-O 3.41Å; S238-N242 PolarHBondContact OG-N 3.41Å; S238-N242 PolarHBondContact OG-O 3.04Å; S238-E334 WeakPolarHBondContact CB-OE1 3.41Å; S238-E334 PolarHBondContact OG-OE1 3Å; S238-E334 PolarHBondContact OG-OE2 3.46Å
239P82.8Confident84.1Confident73 Ų7343.4 Ų43.447%0.47422%0.22SC..THydrogen-bonded Turntrans-62.1-38174.5-3040.6000113.8N241 E334 F462 Y464P239-N241 PolarHBondContact O-N 2.98Å; P239-E334 WeakPolarHBondContact CD-OE1 3.47Å; P239-F462 HydrophobicContact CB-CE1 4.3Å; P239-F462 HydrophobicContact CG-CE1 3.87Å; P239-F462 HydrophobicContact CG-CZ 4.23Å; P239-Y464 HydrophobicContact CG-CD1 4.18Å; P239-Y464 HydrophobicContact CG-CD2 3.18Å; P239-Y464 HydrophobicContact CG-CE1 4.42Å; P239-Y464 HydrophobicContact CG-CE2 3.48Å; P239-Y464 VanDerWaalsContact CG-CE2 3.48Å; P239-Y464 HydrophobicContact CG-CG 3.55Å
240S83.5Confident83.5Confident42 Ų4245.4 Ų45.429%0.29423%0.227SC..THydrogen-bonded Turntrans-82.7-1.4174.870.10000113.7S238 N242 E334S238-S240 PolarHBondContact OG-N 3.02Å; S238-S240 PolarHBondContact OG-OG 2.89Å; S240-N242 WeakPolarHBondContact CB-ND2 3.38Å; S240-N242 PolarHBondContact O-N 3.48Å; S240-N242 PolarHBondContact O-ND2 3.06Å; S240-N242 WeakPolarHBondContact OG-CB 3.37Å; S240-N242 PolarHBondContact OG-ND2 3.37Å; S240-E334 WeakPolarHBondContact CB-OE2 3.31Å; S240-E334 PolarHBondContact N-OE2 3.46Å; S240-E334 PolarHBondContact OG-OE2 3.21Å
241N85.6Confident82.2Confident69 Ų6948.2 Ų48.237%0.36925%0.245SC..  trans56.837-174.2-160.643.8000112.7S209 S238 P239 F243S209-N241 PolarHBondContact O-ND2 3.48Å; S209-N241 PolarHBondContact O-OD1 3.27Å; S238-N241 PolarHBondContact O-N 3.09Å; S238-N241 VanDerWaalsContact O-N 3.15Å; S238-N241 PolarHBondContact OG-N 3.06Å; P239-N241 PolarHBondContact O-N 2.98Å; N241-F243 WeakPolarHBondContact O-CE2 3.22Å; N241-F243 WeakPolarHBondContact OD1-CE2 3.1Å
242N87.4Confident81.4Confident34 Ų3456.8 Ų56.818%0.18228%0.275CS..  trans-115.5144177.3-72.4-59.8000111.9S238 S240 S266 S267 L329 I336S238-N242 WeakPolarHBondContact CB-O 3.41Å; S238-N242 PolarHBondContact OG-N 3.41Å; S238-N242 PolarHBondContact OG-O 3.04Å; S240-N242 WeakPolarHBondContact CB-ND2 3.38Å; S240-N242 PolarHBondContact O-N 3.48Å; S240-N242 PolarHBondContact O-ND2 3.06Å; S240-N242 WeakPolarHBondContact OG-CB 3.37Å; S240-N242 PolarHBondContact OG-ND2 3.37Å; N242-S266 WeakPolarHBondContact CA-OG 3.42Å; N242-S266 WeakPolarHBondContact CB-OG 3.45Å; N242-S266 PolarHBondContact OD1-OG 3.1Å; N242-S267 VanDerWaalsContact OD1-CB 3.26Å; N242-S267 WeakPolarHBondContact OD1-CB 3.45Å; N242-L329 HydrophobicContact CB-CD1 3.69Å; N242-I336 HydrophobicContact CB-CG2 4.37Å; N242-I336 WeakPolarHBondContact O-CG2 3.37Å
243F87.9Confident80.7Confident7 Ų751.8 Ų51.83%0.03126%0.256CS..  trans-142.9152.7-171.1-51.4-78.9000111.9K111 P112 L114 V236 N241 T265 S266K111-F243 HydrophobicContact CB-CB 3.82Å; K111-F243 HydrophobicContact CB-CD1 4.43Å; K111-F243 HydrophobicContact CB-CD2 4.35Å; K111-F243 HydrophobicContact CB-CG 3.94Å; K111-F243 HydrophobicContact CD-CB 4.22Å; K111-F243 HydrophobicContact CG-CB 3.93Å; K111-F243 HydrophobicContact CG-CD1 4.28Å; K111-F243 HydrophobicContact CG-CG 4.16Å; P112-F243 HydrophobicContact CB-CE2 4Å; P112-F243 HydrophobicContact CG-CE2 4.01Å; P112-F243 HydrophobicContact CG-CZ 4.05Å; P112-F243 WeakPolarHBondContact O-CD2 3.11Å; L114-F243 HydrophobicContact CD1-CB 4.03Å; V236-F243 HydrophobicContact CB-CD1 4.13Å; V236-F243 HydrophobicContact CB-CE1 4.09Å; V236-F243 HydrophobicContact CG1-CD1 3.96Å; V236-F243 HydrophobicContact CG1-CE1 4.03Å; V236-F243 WeakPolarHBondContact O-CE1 3.44Å; N241-F243 WeakPolarHBondContact O-CE2 3.22Å; N241-F243 WeakPolarHBondContact OD1-CE2 3.1Å; F243-T265 WeakPolarHBondContact O-CA 3.46Å; F243-S266 PolarHBondContact N-OG 3.47Å; F243-S266 PolarHBondContact O-N 3.46Å
244A85.1Confident80Confident1 Ų157.6 Ų57.61%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-110.8143.4166.600000109K111 R264 T265 F272 I336 D338K111-A244 WeakPolarHBondContact CD-O 3.27Å; K111-A244 WeakPolarHBondContact CE-O 3.3Å; A244-R264 CarbonylContact C-O 3.56Å; A244-R264 WeakPolarHBondContact CA-O 3.39Å; A244-T265 HydrophobicContact CB-CG2 4.34Å; A244-F272 HydrophobicContact CB-CE1 3.57Å; A244-F272 HydrophobicContact CB-CZ 3.67Å; A244-I336 HydrophobicContact CB-CD1 4.13Å; A244-I336 HydrophobicContact CB-CG1 4.23Å; A244-D338 WeakPolarHBondContact O-CB 3.06Å
245Q85.6Confident79.5Confident15 Ų1556 Ų567%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-131.3121.8178.9-172.6179.324.100110.3K111 L114 N115 I247 I263 R264 D338K111-Q245 HydrophobicContact CD-CB 3.89Å; K111-Q245 HydrophobicContact CD-CG 4.19Å; L114-Q245 HydrophobicContact CD1-CB 3.88Å; N115-Q245 PolarHBondContact O-NE2 3.07Å; Q245-I247 HydrophobicContact CG-CD1 4.37Å; Q245-I247 HydrophobicContact CG-CG1 3.97Å; Q245-I263 CarbonylContact O-C 3.47Å; Q245-I263 WeakPolarHBondContact O-CA 3.43Å; Q245-R264 PolarHBondContact N-O 3.18Å; Q245-R264 PolarHBondContact O-N 3.19Å; Q245-D338 VanDerWaalsContact CA-OD2 3.28Å; Q245-D338 WeakPolarHBondContact CA-OD2 3.46Å
246L80.1Confident79.1Confident11 Ų1158 Ų586%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-94.2124.6174-171.969.4000109.5F261 I263 V323 V325 D338 L340L246-F261 HydrophobicContact CD1-CB 3.65Å; L246-F261 HydrophobicContact CD1-CD1 4.34Å; L246-F261 HydrophobicContact CD1-CG 4.23Å; L246-F261 HydrophobicContact CD2-CD1 4.37Å; L246-F261 HydrophobicContact CG-CB 4.34Å; L246-F261 HydrophobicContact CG-CD1 4.18Å; L246-I263 HydrophobicContact CD1-CD1 4.41Å; L246-I263 HydrophobicContact CD1-CG1 3.79Å; L246-V323 HydrophobicContact CD2-CB 3.71Å; L246-V323 HydrophobicContact CD2-CG1 3.6Å; L246-V325 HydrophobicContact CB-CG2 4.2Å; L246-V325 HydrophobicContact CD1-CG1 3.91Å; L246-V325 HydrophobicContact CD1-CG2 4.22Å; L246-V325 HydrophobicContact CD2-CG1 4.44Å; L246-D338 HydrophobicContact CB-CB 4.36Å; L246-D338 PolarHBondContact N-OD2 3.32Å; L246-L340 HydrophobicContact CD2-CB 3.93Å
247I81.8Confident78.9Confident38 Ų3863.5 Ų63.520%0.19532%0.318CS..EExtended strand (participates in β ladder)trans-123.5115.1-174.6-54.4174000108.8Q245 F261 D262 R264Q245-I247 HydrophobicContact CG-CD1 4.37Å; Q245-I247 HydrophobicContact CG-CG1 3.97Å; I247-F261 CarbonylContact O-C 3.56Å; I247-F261 VanDerWaalsContact O-CA 3.29Å; I247-F261 WeakPolarHBondContact O-CA 3.35Å; I247-D262 HydrophobicContact CB-CB 4.48Å; I247-D262 PolarHBondContact N-O 2.81Å; I247-D262 PolarHBondContact O-N 2.91Å; I247-R264 HydrophobicContact CD1-CG 4.16Å
248P78.6Confident78.9Confident56 Ų5666.4 Ų66.436%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-73139.3176.830.3-32.9000111.1F261 L340P248-F261 HydrophobicContact CB-CD1 3.92Å; P248-F261 HydrophobicContact CB-CE1 3.77Å; P248-L340 HydrophobicContact CB-CD2 3.94Å; P248-L340 HydrophobicContact CG-CD2 3.78Å
249K79.3Confident78.8Confident107 Ų10765.7 Ų65.747%0.46533%0.33SS..SBendtrans-88.1-13.9171.6-67.6-176.8-178.8154.50113.7S260 D262K249-S260 WeakPolarHBondContact CB-O 3.2Å; K249-S260 PolarHBondContact N-O 3.36Å; K249-S260 PolarHBondContact NZ-OG 3.03Å; K249-D262 WeakPolarHBondContact CE-OD1 3.4Å; K249-D262 WeakPolarHBondContact CE-OD2 3.33Å; K249-D262 IonicContact NZ-OD1 3.6Å; K249-D262 PolarHBondContact NZ-OD1 2.93Å; K249-D262 IonicContact NZ-OD2 3.09Å
250Q74.4Confident78.8Confident56 Ų5662.6 Ų62.626%0.26231%0.31SS..  trans-112.5140.3-177.2-53.778.923.700111.4L259 S260Q250-L259 HydrophobicContact CG-CD2 4.3Å; Q250-S260 PolarHBondContact NE2-O 3.45Å; Q250-S260 VanDerWaalsContact OE1-N 3.14Å; Q250-S260 PolarHBondContact OE1-O 3.33Å
251E64Low78.8Confident184 Ų18460.7 Ų60.786%0.8630%0.297SS*.SBendtrans-84.8-33.1176.5-70.1-175.4173.400113.9
252R68.3Low78.7Confident209 Ų20959.4 Ų59.479%0.78929%0.29SS*.SBendtrans-131.8138.6179.6-68.2-172.1-177.5-177.70.7110.6
253I69.5Low78.6Confident15 Ų1557.8 Ų57.88%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-107.4114.3-174.9-60.7168.2000109L259 A313 L342 V344 D345I253-L259 HydrophobicContact CB-CD2 4.32Å; I253-L259 HydrophobicContact CD1-CD1 4.12Å; I253-L259 HydrophobicContact CG1-CD1 4.22Å; I253-L259 HydrophobicContact CG1-CD2 3.84Å; I253-L259 HydrophobicContact CG2-CD1 3.76Å; I253-L259 HydrophobicContact CG2-CD2 3.93Å; I253-L259 HydrophobicContact CG2-CG 4.37Å; I253-A313 HydrophobicContact CG2-CB 3.85Å; I253-L342 HydrophobicContact CD1-CB 3.6Å; I253-L342 HydrophobicContact CD1-CD1 3.92Å; I253-L342 HydrophobicContact CD1-CD2 3.78Å; I253-L342 HydrophobicContact CD1-CG 3.95Å; I253-V344 HydrophobicContact CB-CG2 4.47Å; I253-V344 HydrophobicContact CG2-CB 4.33Å; I253-V344 HydrophobicContact CG2-CG1 4.13Å; I253-V344 HydrophobicContact CG2-CG2 3.82Å; I253-D345 PolarHBondContact O-N 3.5Å
254Q70.5Confident78.5Confident123 Ų12361.5 Ų61.558%0.57530%0.295SS*.EExtended strand (participates in β ladder)trans-106.5144.3173.3-66.5-179.7-14.900109.4K257 A313Q254-K257 HydrophobicContact CB-CG 4.16Å; Q254-K257 PolarHBondContact O-N 3.18Å; Q254-A313 WeakPolarHBondContact O-CB 3.34Å
255L72.8Confident78.4Confident55 Ų5561.7 Ų61.729%0.28830%0.296SS..THydrogen-bonded Turntrans-58.4140.1176.9-66.1174.1000111.8K257 T314 A315 V344 A347L255-K257 VanDerWaalsContact C-N 3.28Å; L255-K257 PolarHBondContact O-N 3.23Å; L255-T314 VanDerWaalsContact CD2-C 3.46Å; L255-T314 WeakPolarHBondContact CD2-O 3.24Å; L255-A315 HydrophobicContact CD2-CB 4.48Å; L255-V344 HydrophobicContact CD2-CG1 3.55Å; L255-V344 HydrophobicContact CG-CG1 4.15Å; L255-A347 HydrophobicContact CD1-CB 4.31Å
256G75.5Confident78.3Confident45 Ų4562.9 Ų62.946%0.46431%0.306SS..THydrogen-bonded Turntrans77.72.7179.100000115.3E312 A313G256-E312 WeakPolarHBondContact CA-OE1 3.44Å; G256-A313 PolarHBondContact N-O 3.33Å
257K80.5Confident78.4Confident126 Ų12663.9 Ų63.955%0.54831%0.314SS..PPolyproline II helixtrans-92.6142.3173.2-63.8-63.9-176.3-178.10110.4Q254 L255 L259 A313Q254-K257 HydrophobicContact CB-CG 4.16Å; Q254-K257 PolarHBondContact O-N 3.18Å; L255-K257 VanDerWaalsContact C-N 3.28Å; L255-K257 PolarHBondContact O-N 3.23Å; K257-L259 PolarHBondContact O-N 3.33Å; K257-A313 WeakPolarHBondContact O-CB 3.35Å; K257-A313 PolarHBondContact O-N 3.48Å
258M81.5Confident78.4Confident110 Ų11066 Ų6654%0.54233%0.33SS..EExtended strand (participates in β ladder)trans-67.8127.3169.2-71.8-63.6-66.400109.7E310 E312M258-E310 HydrophobicContact CE-CB 4.01Å; M258-E312 HydrophobicContact SD-CB 3.87Å
259L80.7Confident78.4Confident3 Ų363.6 Ų63.62%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-99.2143170.9-56.4179.6000108.6Q250 I253 K257 F261 E310 F311 A313 L342Q250-L259 HydrophobicContact CG-CD2 4.3Å; I253-L259 HydrophobicContact CB-CD2 4.32Å; I253-L259 HydrophobicContact CD1-CD1 4.12Å; I253-L259 HydrophobicContact CG1-CD1 4.22Å; I253-L259 HydrophobicContact CG1-CD2 3.84Å; I253-L259 HydrophobicContact CG2-CD1 3.76Å; I253-L259 HydrophobicContact CG2-CD2 3.93Å; I253-L259 HydrophobicContact CG2-CG 4.37Å; K257-L259 PolarHBondContact O-N 3.33Å; L259-F261 HydrophobicContact CB-CE2 3.6Å; L259-F261 HydrophobicContact CB-CZ 4.18Å; L259-F261 HydrophobicContact CD1-CE2 4.48Å; L259-F261 HydrophobicContact CD1-CZ 4.46Å; L259-E310 VanDerWaalsContact O-CA 3.24Å; L259-E310 WeakPolarHBondContact O-CA 3.4Å; L259-F311 HydrophobicContact CB-CE1 4.13Å; L259-F311 HydrophobicContact CB-CE2 4.23Å; L259-F311 HydrophobicContact CB-CZ 3.77Å; L259-F311 HydrophobicContact CD1-CE2 3.81Å; L259-F311 HydrophobicContact CD1-CZ 3.74Å; L259-F311 HydrophobicContact CG-CE2 4.44Å; L259-F311 HydrophobicContact CG-CZ 4.33Å; L259-F311 PolarHBondContact N-O 3.46Å; L259-F311 PolarHBondContact O-N 3.12Å; L259-A313 HydrophobicContact CD1-CB 3.94Å; L259-A313 HydrophobicContact CG-CB 4.08Å; L259-L342 HydrophobicContact CD1-CD1 4.36Å
260S83.3Confident78Confident9 Ų969 Ų696%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-138.5128-175.3-177.90000108.2K249 Q250 L309 E310K249-S260 WeakPolarHBondContact CB-O 3.2Å; K249-S260 PolarHBondContact N-O 3.36Å; K249-S260 PolarHBondContact NZ-OG 3.03Å; Q250-S260 PolarHBondContact NE2-O 3.45Å; Q250-S260 VanDerWaalsContact OE1-N 3.14Å; Q250-S260 PolarHBondContact OE1-O 3.33Å; S260-L309 CarbonylContact C-O 3.57Å; S260-L309 VanDerWaalsContact CA-O 3.29Å; S260-L309 WeakPolarHBondContact CA-O 3.18Å; S260-E310 WeakPolarHBondContact CB-OE1 3.45Å; S260-E310 PolarHBondContact OG-OE1 3.49Å
261F82.8Confident78.1Confident1 Ų171.4 Ų71.40%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-126.5136.7-177.4-57.4-100.5000109.1L246 I247 P248 L259 T308 L309 F311 V323 L340 L342L246-F261 HydrophobicContact CD1-CB 3.65Å; L246-F261 HydrophobicContact CD1-CD1 4.34Å; L246-F261 HydrophobicContact CD1-CG 4.23Å; L246-F261 HydrophobicContact CD2-CD1 4.37Å; L246-F261 HydrophobicContact CG-CB 4.34Å; L246-F261 HydrophobicContact CG-CD1 4.18Å; I247-F261 CarbonylContact O-C 3.56Å; I247-F261 VanDerWaalsContact O-CA 3.29Å; I247-F261 WeakPolarHBondContact O-CA 3.35Å; P248-F261 HydrophobicContact CB-CD1 3.92Å; P248-F261 HydrophobicContact CB-CE1 3.77Å; L259-F261 HydrophobicContact CB-CE2 3.6Å; L259-F261 HydrophobicContact CB-CZ 4.18Å; L259-F261 HydrophobicContact CD1-CE2 4.48Å; L259-F261 HydrophobicContact CD1-CZ 4.46Å; F261-T308 WeakPolarHBondContact O-CA 3.41Å; F261-L309 HydrophobicContact CB-CB 4.31Å; F261-L309 PolarHBondContact N-O 3.1Å; F261-L309 PolarHBondContact O-N 3.37Å; F261-F311 AromaticContact CD2-CE1 3.66Å; F261-F311 HydrophobicContact CD2-CE1 3.66Å; F261-F311 HydrophobicContact CD2-CZ 4.28Å; F261-F311 AromaticContact CE2-CE1 3.27Å; F261-F311 HydrophobicContact CE2-CE1 3.27Å; F261-F311 AromaticContact CE2-CZ 3.44Å; F261-F311 HydrophobicContact CE2-CZ 3.44Å; F261-F311 VanDerWaalsContact CE2-CZ 3.44Å; F261-F311 HydrophobicContact CZ-CE1 4.35Å; F261-F311 HydrophobicContact CZ-CZ 4.16Å; F261-V323 HydrophobicContact CE1-CG2 4.41Å; F261-V323 HydrophobicContact CZ-CG2 4.29Å; F261-L340 HydrophobicContact CD1-CD2 4.31Å; F261-L340 HydrophobicContact CE1-CD2 3.92Å; F261-L342 HydrophobicContact CE1-CD1 4.4Å; F261-L342 HydrophobicContact CE1-CD2 3.94Å; F261-L342 HydrophobicContact CZ-CD1 3.78Å; F261-L342 HydrophobicContact CZ-CD2 4.05Å
262D84.3Confident78.6Confident43 Ų4362.6 Ų62.623%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-93.5137.3169.2-69.3-28000109.7I247 K249 T308I247-D262 HydrophobicContact CB-CB 4.48Å; I247-D262 PolarHBondContact N-O 2.81Å; I247-D262 PolarHBondContact O-N 2.91Å; K249-D262 WeakPolarHBondContact CE-OD1 3.4Å; K249-D262 WeakPolarHBondContact CE-OD2 3.33Å; K249-D262 IonicContact NZ-OD1 3.6Å; K249-D262 PolarHBondContact NZ-OD1 2.93Å; K249-D262 IonicContact NZ-OD2 3.09Å; D262-T308 PolarHBondContact OD1-OG1 2.78Å
263I84Confident78.8Confident0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-108.3128.3173.6-57.4176.6000107.4Q245 L246 F272 I300 M302 R306 G307 V325Q245-I263 CarbonylContact O-C 3.47Å; Q245-I263 WeakPolarHBondContact O-CA 3.43Å; L246-I263 HydrophobicContact CD1-CD1 4.41Å; L246-I263 HydrophobicContact CD1-CG1 3.79Å; I263-F272 HydrophobicContact CG2-CD1 4.48Å; I263-I300 HydrophobicContact CD1-CD1 3.25Å; I263-I300 HydrophobicContact CD1-CG2 4.38Å; I263-M302 HydrophobicContact CB-CE 4.4Å; I263-M302 HydrophobicContact CB-SD 4.49Å; I263-M302 HydrophobicContact CG2-CE 4Å; I263-M302 HydrophobicContact CG2-SD 4.32Å; I263-R306 VanDerWaalsContact O-CA 3.31Å; I263-R306 WeakPolarHBondContact O-CA 3.31Å; I263-G307 PolarHBondContact N-O 2.98Å; I263-G307 PolarHBondContact O-N 2.85Å; I263-V325 HydrophobicContact CD1-CB 4.16Å; I263-V325 HydrophobicContact CD1-CG1 3.86Å; I263-V325 HydrophobicContact CD1-CG2 4.32Å
264R85.2Confident78.7Confident85 Ų8553.1 Ų53.132%0.32127%0.268SS..EExtended strand (participates in β ladder)trans-120.4141.4173.8-64.6-172.5179.1-176.50.4110.5A244 Q245 I247 L305A244-R264 CarbonylContact C-O 3.56Å; A244-R264 WeakPolarHBondContact CA-O 3.39Å; Q245-R264 PolarHBondContact N-O 3.18Å; Q245-R264 PolarHBondContact O-N 3.19Å; I247-R264 HydrophobicContact CD1-CG 4.16Å; R264-L305 WeakPolarHBondContact CA-O 3.5Å
265T84.2Confident78.3Confident4 Ų448 Ų483%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-125.2153.7175.460.60000112.1F243 A244 S267 F272 M302 L305 I336F243-T265 WeakPolarHBondContact O-CA 3.46Å; A244-T265 HydrophobicContact CB-CG2 4.34Å; T265-S267 VanDerWaalsContact CB-O 3.32Å; T265-S267 WeakPolarHBondContact CB-O 3.37Å; T265-S267 PolarHBondContact OG1-O 2.8Å; T265-F272 HydrophobicContact CG2-CE2 3.44Å; T265-F272 VanDerWaalsContact CG2-CE2 3.44Å; T265-F272 HydrophobicContact CG2-CZ 3.45Å; T265-F272 VanDerWaalsContact CG2-CZ 3.45Å; T265-M302 HydrophobicContact CG2-CE 3.9Å; T265-L305 PolarHBondContact N-O 3.5Å; T265-I336 HydrophobicContact CG2-CD1 4.44Å
266S83.2Confident77.6Confident41 Ų4145.4 Ų45.429%0.28723%0.231SC..SBendtrans-80.7-19.7172.662.10000113.2N242 F243N242-S266 WeakPolarHBondContact CA-OG 3.42Å; N242-S266 WeakPolarHBondContact CB-OG 3.45Å; N242-S266 PolarHBondContact OD1-OG 3.1Å; F243-S266 PolarHBondContact N-OG 3.47Å; F243-S266 PolarHBondContact O-N 3.46Å
267S82.4Confident76.5Confident32 Ų3243.5 Ų43.522%0.22421%0.21CC..SBendtrans-139.7149.8-178.7-179.70000110.4N242 T265 V269N242-S267 VanDerWaalsContact OD1-CB 3.26Å; N242-S267 WeakPolarHBondContact OD1-CB 3.45Å; T265-S267 VanDerWaalsContact CB-O 3.32Å; T265-S267 WeakPolarHBondContact CB-O 3.37Å; T265-S267 PolarHBondContact OG1-O 2.8Å; S267-V269 PolarHBondContact O-N 3.43Å
268P80.7Confident75.1Confident83 Ų8338.2 Ų38.254%0.53919%0.188SC..  trans-62.8128.7179.9-21.232.9000111.9L305P268-L305 HydrophobicContact CG-CD2 4.09Å
269V79Confident73.7Confident5 Ų534 Ų343%0.0317%0.166CC..  trans-130.9129.5175.5175.20000107.6S267 E271 F272 M302 L329 I336S267-V269 PolarHBondContact O-N 3.43Å; V269-E271 WeakPolarHBondContact CG1-O 3.24Å; V269-F272 HydrophobicContact CB-CD2 4.23Å; V269-F272 HydrophobicContact CB-CE2 3.64Å; V269-F272 HydrophobicContact CG1-CD2 3.9Å; V269-F272 HydrophobicContact CG1-CE2 3.62Å; V269-F272 HydrophobicContact CG1-CZ 4.46Å; V269-F272 HydrophobicContact CG2-CE2 4.04Å; V269-M302 WeakPolarHBondContact O-CB 3.26Å; V269-M302 WeakPolarHBondContact O-CG 3.43Å; V269-L329 HydrophobicContact CG2-CD2 3.76Å; V269-I336 HydrophobicContact CG2-CD1 4Å
270R71.6Confident72.3Confident221 Ų22135.4 Ų35.483%0.83417%0.173SC*.SBendtrans-66-43.3-172.5-68-175.2179.6-176.4-0.1113.4
271E75.8Confident70.1Confident105 Ų10537.8 Ų37.849%0.49119%0.185SC..EExtended strand (participates in β ladder)trans-140.5136.6-177-68.7-177.2-163.800110.1V269 K299V269-E271 WeakPolarHBondContact CG1-O 3.24Å; E271-K299 IonicContact OE2-NZ 3.64Å; E271-K299 PolarHBondContact OE2-NZ 3.23Å
272F74Confident67.9Low0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-105.2149.4164-92.5-103.2000110.5A244 I263 T265 V269 K299 I300 M302 V325 Y326 I336A244-F272 HydrophobicContact CB-CE1 3.57Å; A244-F272 HydrophobicContact CB-CZ 3.67Å; I263-F272 HydrophobicContact CG2-CD1 4.48Å; T265-F272 HydrophobicContact CG2-CE2 3.44Å; T265-F272 VanDerWaalsContact CG2-CE2 3.44Å; T265-F272 HydrophobicContact CG2-CZ 3.45Å; T265-F272 VanDerWaalsContact CG2-CZ 3.45Å; V269-F272 HydrophobicContact CB-CD2 4.23Å; V269-F272 HydrophobicContact CB-CE2 3.64Å; V269-F272 HydrophobicContact CG1-CD2 3.9Å; V269-F272 HydrophobicContact CG1-CE2 3.62Å; V269-F272 HydrophobicContact CG1-CZ 4.46Å; V269-F272 HydrophobicContact CG2-CE2 4.04Å; F272-K299 WeakPolarHBondContact O-CA 3.46Å; F272-I300 HydrophobicContact CB-CB 4.27Å; F272-I300 PolarHBondContact N-O 2.89Å; F272-I300 PolarHBondContact O-N 2.72Å; F272-M302 HydrophobicContact CB-SD 4.46Å; F272-M302 HydrophobicContact CD2-CE 4.19Å; F272-M302 HydrophobicContact CD2-CG 3.73Å; F272-M302 HydrophobicContact CD2-SD 3.73Å; F272-M302 HydrophobicContact CE2-CE 4.24Å; F272-M302 HydrophobicContact CE2-CG 4.39Å; F272-M302 HydrophobicContact CE2-SD 4.37Å; F272-M302 HydrophobicContact CG-SD 4.34Å; F272-V325 HydrophobicContact CD1-CB 4.24Å; F272-V325 HydrophobicContact CD1-CG2 4.49Å; F272-Y326 WeakPolarHBondContact CA-O 3.22Å; F272-Y326 WeakPolarHBondContact CD1-O 3.46Å; F272-I336 HydrophobicContact CE1-CG1 4.48Å; F272-I336 HydrophobicContact CZ-CD1 3.89Å; F272-I336 HydrophobicContact CZ-CG1 4.03Å
273V73.4Confident65.3Low24 Ų2444.6 Ų44.615%0.14522%0.216CC..EExtended strand (participates in β ladder)trans-111.2125.1168.6179.60000108L275 M297 V325 Y326V273-L275 HydrophobicContact CG1-CD2 4.26Å; V273-L275 HydrophobicContact CG1-CG 4.48Å; V273-M297 HydrophobicContact CG1-CG 4.33Å; V273-V325 WeakPolarHBondContact O-CA 3.27Å; V273-Y326 HydrophobicContact CB-CD1 4.11Å; V273-Y326 HydrophobicContact CB-CE1 3.53Å; V273-Y326 HydrophobicContact CB-CE2 4.43Å; V273-Y326 HydrophobicContact CG1-CE1 3.7Å; V273-Y326 HydrophobicContact CG2-CE1 4.37Å; V273-Y326 PolarHBondContact N-O 3.04Å; V273-Y326 PolarHBondContact O-N 3.38Å
274A68.1Low62.8Low0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans-102.4135.617300000110.9M297 S298 I300 L309 L324 V325A274-M297 WeakPolarHBondContact O-CA 3.48Å; A274-S298 PolarHBondContact N-O 2.89Å; A274-S298 PolarHBondContact O-N 3.39Å; A274-S298 VanDerWaalsContact O-N 3.12Å; A274-I300 HydrophobicContact CB-CD1 3.65Å; A274-I300 HydrophobicContact CB-CG1 4.41Å; A274-L309 HydrophobicContact CB-CD1 4.12Å; A274-L309 HydrophobicContact CB-CD2 3.74Å; A274-L324 CarbonylContact C-O 3.57Å; A274-L324 WeakPolarHBondContact CA-O 3.17Å; A274-V325 HydrophobicContact CB-CG1 3.78Å
275L62Low60.4Low16 Ų1648.2 Ų48.28%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-124.1125.6178.6-60.2176000109.2V273 L277 I294 M297 L324 Y326 L455V273-L275 HydrophobicContact CG1-CD2 4.26Å; V273-L275 HydrophobicContact CG1-CG 4.48Å; L275-L277 HydrophobicContact CB-CD2 4.22Å; L275-L277 HydrophobicContact CB-CG 4.4Å; L275-I294 HydrophobicContact CD2-CD1 4.28Å; L275-I294 HydrophobicContact CD2-CG2 4.19Å; L275-M297 HydrophobicContact CD2-CB 4.12Å; L275-M297 HydrophobicContact CD2-CG 3.71Å; L275-M297 HydrophobicContact CD2-SD 3.84Å; L275-L324 HydrophobicContact CD1-CD2 4.3Å; L275-L324 PolarHBondContact N-O 3.41Å; L275-L324 PolarHBondContact O-N 3.03Å; L275-Y326 HydrophobicContact CD1-CE1 4.21Å; L275-L455 HydrophobicContact CD1-CD1 3.96Å
276F56.3Low57.9Low0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-100112.4168.4-80.3-93.3000109.9I294 V295 H296 L309 F311 M317 V323 L342F276-I294 CarbonylContact O-C 3.49Å; F276-I294 VanDerWaalsContact O-CA 3.28Å; F276-I294 WeakPolarHBondContact O-CA 3.23Å; F276-V295 HydrophobicContact CB-CG2 3.79Å; F276-V295 WeakPolarHBondContact O-CG2 3.36Å; F276-V295 PolarHBondContact O-N 3.47Å; F276-H296 HydrophobicContact CB-CB 3.96Å; F276-H296 HydrophobicContact CD2-CB 4.04Å; F276-H296 AromaticContact CD2-CD2 3.99Å; F276-H296 HydrophobicContact CG-CB 4.23Å; F276-H296 PolarHBondContact N-O 3.36Å; F276-L309 HydrophobicContact CE2-CD1 4.42Å; F276-L309 HydrophobicContact CE2-CD2 3.87Å; F276-L309 HydrophobicContact CE2-CG 4.43Å; F276-L309 HydrophobicContact CZ-CD2 4.06Å; F276-F311 HydrophobicContact CD1-CE1 4.5Å; F276-F311 AromaticContact CD1-CE2 3.89Å; F276-F311 HydrophobicContact CD1-CE2 3.89Å; F276-F311 AromaticContact CD1-CZ 3.89Å; F276-F311 HydrophobicContact CD1-CZ 3.89Å; F276-F311 HydrophobicContact CE1-CD1 4.26Å; F276-F311 HydrophobicContact CE1-CD2 4.27Å; F276-F311 AromaticContact CE1-CE1 3.44Å; F276-F311 HydrophobicContact CE1-CE1 3.44Å; F276-F311 VanDerWaalsContact CE1-CE1 3.44Å; F276-F311 AromaticContact CE1-CE2 3.38Å; F276-F311 HydrophobicContact CE1-CE2 3.38Å; F276-F311 AromaticContact CE1-CZ 2.92Å; F276-F311 HydrophobicContact CE1-CZ 2.92Å; F276-F311 AromaticContact CE2-CD1 3.62Å; F276-F311 HydrophobicContact CE2-CD1 3.62Å; F276-F311 HydrophobicContact CE2-CD2 4.48Å; F276-F311 AromaticContact CE2-CE1 3.46Å; F276-F311 HydrophobicContact CE2-CE1 3.46Å; F276-F311 VanDerWaalsContact CE2-CE1 3.46Å; F276-F311 HydrophobicContact CE2-CE2 4.29Å; F276-F311 HydrophobicContact CE2-CG 4.19Å; F276-F311 AromaticContact CE2-CZ 3.84Å; F276-F311 HydrophobicContact CE2-CZ 3.84Å; F276-F311 AromaticContact CZ-CD1 3.54Å; F276-F311 HydrophobicContact CZ-CD1 3.54Å; F276-F311 HydrophobicContact CZ-CD2 4.3Å; F276-F311 AromaticContact CZ-CE1 2.85Å; F276-F311 HydrophobicContact CZ-CE1 2.85Å; F276-F311 AromaticContact CZ-CE2 3.7Å; F276-F311 HydrophobicContact CZ-CE2 3.7Å; F276-F311 HydrophobicContact CZ-CG 4.24Å; F276-F311 AromaticContact CZ-CZ 2.96Å; F276-F311 HydrophobicContact CZ-CZ 2.96Å; F276-M317 HydrophobicContact CD1-CE 4.42Å; F276-V323 HydrophobicContact CD1-CB 4.43Å; F276-V323 HydrophobicContact CD1-CG1 4.44Å; F276-V323 HydrophobicContact CD1-CG2 3.89Å; F276-V323 HydrophobicContact CD2-CG1 4.48Å; F276-V323 HydrophobicContact CE1-CB 3.79Å; F276-V323 HydrophobicContact CE1-CG1 3.69Å; F276-V323 HydrophobicContact CE1-CG2 3.07Å; F276-V323 HydrophobicContact CE2-CG1 3.74Å; F276-V323 HydrophobicContact CZ-CB 3.84Å; F276-V323 HydrophobicContact CZ-CG1 3.19Å; F276-V323 HydrophobicContact CZ-CG2 3.49Å; F276-V323 VanDerWaalsContact CZ-CG2 3.49Å; F276-L342 HydrophobicContact CE1-CD1 4.24Å
277L54Low55.1Low6 Ų659.7 Ų59.73%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-104.5125.1-174.1-54.4172.1000108.4L275 R279 I294 R322 L324 L455L275-L277 HydrophobicContact CB-CD2 4.22Å; L275-L277 HydrophobicContact CB-CG 4.4Å; L277-R279 PolarHBondContact O-N 2.75Å; L277-I294 HydrophobicContact CD2-CB 4.4Å; L277-I294 HydrophobicContact CD2-CG1 3.68Å; L277-R322 PolarHBondContact N-O 3.17Å; L277-R322 PolarHBondContact O-N 3.07Å; L277-L324 HydrophobicContact CD1-CB 4.37Å; L277-L455 HydrophobicContact CD1-CD1 3.55Å; L277-L455 HydrophobicContact CD1-CD2 4.46Å; L277-L455 HydrophobicContact CD1-CG 3.92Å; L277-L455 HydrophobicContact CD2-CD1 4.12Å; L277-L455 HydrophobicContact CD2-CD2 3.96Å; L277-L455 HydrophobicContact CD2-CG 4.32Å; L277-L455 HydrophobicContact CG-CD1 4.45Å
278L51.1Low52.4Low14 Ų1462.9 Ų62.97%0.07331%0.309CS..  trans-73.6118.7159.2-63.8-173.1000106.9N280 K291 G292 A293 V295 K316L278-N280 PolarHBondContact O-N 2.67Å; L278-K291 CarbonylContact C-O 3.49Å; L278-K291 HydrophobicContact CB-CB 4.03Å; L278-K291 WeakPolarHBondContact CB-O 3.46Å; L278-K291 HydrophobicContact CD1-CB 3.75Å; L278-K291 HydrophobicContact CD1-CD 4.16Å; L278-K291 HydrophobicContact CD1-CG 4.47Å; L278-G292 WeakPolarHBondContact O-CA 3.27Å; L278-A293 WeakPolarHBondContact CB-O 3.44Å; L278-A293 PolarHBondContact N-O 2.66Å; L278-V295 HydrophobicContact CD1-CG1 3.43Å; L278-V295 VanDerWaalsContact CD1-CG1 3.43Å; L278-V295 HydrophobicContact CD2-CB 4.44Å; L278-V295 HydrophobicContact CD2-CG1 3.84Å; L278-V295 HydrophobicContact CD2-CG2 3.76Å; L278-V295 HydrophobicContact CG-CB 4.25Å; L278-V295 HydrophobicContact CG-CG1 3.48Å; L278-V295 VanDerWaalsContact CG-CG1 3.48Å; L278-V295 HydrophobicContact CG-CG2 3.83Å; L278-K316 HydrophobicContact CD1-CB 4.29Å; L278-K316 HydrophobicContact CD2-CB 4.41Å; L278-K316 WeakPolarHBondContact CD2-O 3.37Å
279R52.5Low49.9Very low21 Ų2163.6 Ų63.68%0.07931%0.307CS..  trans-76.894.1177.1-85-178.3153.6-123.4-11.8108.1L277 R322 D341 S452L277-R279 PolarHBondContact O-N 2.75Å; R279-R322 HydrophobicContact CG-CB 4.23Å; R279-D341 IonicContact NE-OD1 3.31Å; R279-S452 PolarHBondContact NH2-O 3.12Å
280N50.4Low47.6Very low34 Ų3467.3 Ų67.318%0.18233%0.333CS..  trans-165.271.6167.4-90.2-26.9000110.9L278 K291 G292L278-N280 PolarHBondContact O-N 2.67Å; N280-K291 HydrophobicContact CB-CB 3.93Å; N280-K291 CarbonylContact O-C 3.49Å; N280-K291 PolarHBondContact O-N 2.94Å; N280-G292 WeakPolarHBondContact O-CA 3.4Å; N280-G292 PolarHBondContact O-N 2.87Å
281N37.1Very low46.7Very low58 Ų5861.1 Ų61.131%0.3131%0.312SS..EExtended strand (participates in β ladder)trans-122.891.2159.8-103.8-5.5000107.6F283 N454N281-F283 PolarHBondContact O-N 2.72Å; N281-N454 HydrophobicContact CB-CB 4.18Å; N281-N454 PolarHBondContact O-ND2 3.45Å
282V36.2Very low45.6Very low33 Ų3357.7 Ų57.720%0.231%0.305CS..EExtended strand (participates in β ladder)trans-78.197.6161.3174.60000105.7L284 Y409V282-L284 HydrophobicContact CG1-CB 4.2Å; V282-L284 HydrophobicContact CG1-CD1 3.43Å; V282-L284 VanDerWaalsContact CG1-CD1 3.43Å; V282-L284 HydrophobicContact CG1-CG 3.43Å; V282-L284 VanDerWaalsContact CG1-CG 3.43Å; V282-L284 PolarHBondContact O-N 2.86Å; V282-Y409 VanDerWaalsContact CG2-O 3.31Å; V282-Y409 WeakPolarHBondContact CG2-O 3.39Å
283F30.2Very low45Very low154 Ų15459.9 Ų59.968%0.67532%0.323SS*.EExtended strand (participates in β ladder)trans-84.770.1164.7-143.3-84.7000107.5N281N281-F283 PolarHBondContact O-N 2.72Å
284L31.5Very low44.7Very low73 Ų7362.8 Ų62.838%0.38234%0.337SS..EExtended strand (participates in β ladder)trans-71.9129.7153-67.5162.5000103.9V282 F286 K287 E840V282-L284 HydrophobicContact CG1-CB 4.2Å; V282-L284 HydrophobicContact CG1-CD1 3.43Å; V282-L284 VanDerWaalsContact CG1-CD1 3.43Å; V282-L284 HydrophobicContact CG1-CG 3.43Å; V282-L284 VanDerWaalsContact CG1-CG 3.43Å; V282-L284 PolarHBondContact O-N 2.86Å; L284-F286 PolarHBondContact O-N 3.16Å; L284-K287 PolarHBondContact O-N 3.44Å; L284-K287 VanDerWaalsContact O-N 3.13Å; L284-E840 WeakPolarHBondContact CB-OE2 3.43Å; L284-E840 WeakPolarHBondContact CD1-OE2 3.42Å; L284-E840 WeakPolarHBondContact CD2-OE1 2.97Å
285P35.3Very low44.8Very low89 Ų8964.9 Ų64.958%0.57835%0.35SS*.THydrogen-bonded Turntrans-54.7-4.4-161.1-14.210.2000117.1
286F32.1Very low45.2Very low190 Ų19067.4 Ų67.483%0.83336%0.361SS*.THydrogen-bonded Turntrans-138.316177.9-57.4-74.7000116.7L284L284-F286 PolarHBondContact O-N 3.16Å
287K23.7Very low46.1Very low95 Ų9573.6 Ų73.641%0.41339%0.391SS..EExtended strand (participates in β ladder)trans-150.6117.6169.1-115.8173.8-174.2168.40112.8L284 I289L284-K287 PolarHBondContact O-N 3.44Å; L284-K287 VanDerWaalsContact O-N 3.13Å; K287-I289 PolarHBondContact O-N 3.15Å
288V25.2Very low47.1Very low100 Ų10074.6 Ų74.661%0.60640%0.399SS*.EExtended strand (participates in β ladder)trans-86.1102.1173.6-179.60000108.4S290V288-S290 PolarHBondContact O-N 2.8Å
289I28.6Very low48.5Very low98 Ų9881.1 Ų81.150%0.50343%0.427SS..EExtended strand (participates in β ladder)trans-91.695.8163.4-57.5178.7000106.5K287K287-I289 PolarHBondContact O-N 3.15Å
290S31.6Very low49.7Very low82 Ų8280.5 Ų80.557%0.57343%0.425SS*.EExtended strand (participates in β ladder)trans-70.5132.8178139.80000109.9V288V288-S290 PolarHBondContact O-N 2.8Å
291K51.4Low51Low92 Ų9283 Ų8340%0.445%0.45SS..  -129.249.687.4-56.1-175.3178.31730112.7L278 N280 A293L278-K291 CarbonylContact C-O 3.49Å; L278-K291 HydrophobicContact CB-CB 4.03Å; L278-K291 WeakPolarHBondContact CB-O 3.46Å; L278-K291 HydrophobicContact CD1-CB 3.75Å; L278-K291 HydrophobicContact CD1-CD 4.16Å; L278-K291 HydrophobicContact CD1-CG 4.47Å; N280-K291 HydrophobicContact CB-CB 3.93Å; N280-K291 CarbonylContact O-C 3.49Å; N280-K291 PolarHBondContact O-N 2.94Å; K291-A293 PolarHBondContact O-N 2.95Å
292G52.5Low52.9Low33 Ų3381.4 Ų81.434%0.3444%0.441SS..  trans-74.437.4179.700000113.2L278 N280L278-G292 WeakPolarHBondContact O-CA 3.27Å; N280-G292 WeakPolarHBondContact O-CA 3.4Å; N280-G292 PolarHBondContact O-N 2.87Å
293A61.4Low55Low46 Ų4687.8 Ų87.838%0.3847%0.468SS..  trans-103.6147.8-166.600000110.8L278 K291 V295L278-A293 WeakPolarHBondContact CB-O 3.44Å; L278-A293 PolarHBondContact N-O 2.66Å; K291-A293 PolarHBondContact O-N 2.95Å; A293-V295 PolarHBondContact O-N 2.9Å
294I68.2Low57.4Low85 Ų8587.2 Ų87.244%0.43647%0.473SS..EExtended strand (participates in β ladder)trans-78113.4168.7-48.7175.9000106.7L275 F276 L277 H296 M297L275-I294 HydrophobicContact CD2-CD1 4.28Å; L275-I294 HydrophobicContact CD2-CG2 4.19Å; F276-I294 CarbonylContact O-C 3.49Å; F276-I294 VanDerWaalsContact O-CA 3.28Å; F276-I294 WeakPolarHBondContact O-CA 3.23Å; L277-I294 HydrophobicContact CD2-CB 4.4Å; L277-I294 HydrophobicContact CD2-CG1 3.68Å; I294-H296 WeakPolarHBondContact CG2-O 3.5Å; I294-M297 HydrophobicContact CG2-CB 4.29Å
295V69.8Low59.8Low43 Ų4387.1 Ų87.126%0.26147%0.472SS..EExtended strand (participates in β ladder)trans-85.6-25.8178.5-91.90000113.1F276 L278 A293 K316 M317F276-V295 HydrophobicContact CB-CG2 3.79Å; F276-V295 WeakPolarHBondContact O-CG2 3.36Å; F276-V295 PolarHBondContact O-N 3.47Å; L278-V295 HydrophobicContact CD1-CG1 3.43Å; L278-V295 VanDerWaalsContact CD1-CG1 3.43Å; L278-V295 HydrophobicContact CD2-CB 4.44Å; L278-V295 HydrophobicContact CD2-CG1 3.84Å; L278-V295 HydrophobicContact CD2-CG2 3.76Å; L278-V295 HydrophobicContact CG-CB 4.25Å; L278-V295 HydrophobicContact CG-CG1 3.48Å; L278-V295 VanDerWaalsContact CG-CG1 3.48Å; L278-V295 HydrophobicContact CG-CG2 3.83Å; A293-V295 PolarHBondContact O-N 2.9Å; V295-K316 HydrophobicContact CG1-CB 3.98Å; V295-K316 HydrophobicContact CG1-CD 4.05Å; V295-M317 HydrophobicContact CG2-CE 4.38Å; V295-M317 HydrophobicContact CG2-CG 4.43Å
296H69.7Low62.1Low70 Ų7090.7 Ų90.732%0.32447%0.474SS..EExtended strand (participates in β ladder)trans-151.2139.9178.2-172.676.2000109.7F276 I294F276-H296 HydrophobicContact CB-CB 3.96Å; F276-H296 HydrophobicContact CD2-CB 4.04Å; F276-H296 AromaticContact CD2-CD2 3.99Å; F276-H296 HydrophobicContact CG-CB 4.23Å; F276-H296 PolarHBondContact N-O 3.36Å; I294-H296 WeakPolarHBondContact CG2-O 3.5Å
297M76.8Confident64.5Low129 Ų12982 Ų8264%0.63544%0.438SS*.EExtended strand (participates in β ladder)trans-137.9131.5174.2176.2176.772.700108.2V273 A274 L275 I294V273-M297 HydrophobicContact CG1-CG 4.33Å; A274-M297 WeakPolarHBondContact O-CA 3.48Å; L275-M297 HydrophobicContact CD2-CB 4.12Å; L275-M297 HydrophobicContact CD2-CG 3.71Å; L275-M297 HydrophobicContact CD2-SD 3.84Å; I294-M297 HydrophobicContact CG2-CB 4.29Å
298S74.5Confident67.4Low27 Ų2780.8 Ų80.819%0.18944%0.439CS..EExtended strand (participates in β ladder)trans-141.6145.4178.960.70000110.4A274 L309A274-S298 PolarHBondContact N-O 2.89Å; A274-S298 PolarHBondContact O-N 3.39Å; A274-S298 VanDerWaalsContact O-N 3.12Å; S298-L309 WeakPolarHBondContact OG-CD1 3.23Å
299K79.9Confident70Confident151 Ų15176.2 Ų76.266%0.65741%0.411SS*.EExtended strand (participates in β ladder)trans-86.7141.6165-70.5-171.3166.5-152.20109.1E271 F272E271-K299 IonicContact OE2-NZ 3.64Å; E271-K299 PolarHBondContact OE2-NZ 3.23Å; F272-K299 WeakPolarHBondContact O-CA 3.46Å
300I77.3Confident72.6Confident9 Ų977.1 Ų77.15%0.04641%0.413CS..EExtended strand (participates in β ladder)trans-121.5118.2-178.6-55.2168.2000107.3I263 F272 A274 M302 L309I263-I300 HydrophobicContact CD1-CD1 3.25Å; I263-I300 HydrophobicContact CD1-CG2 4.38Å; F272-I300 HydrophobicContact CB-CB 4.27Å; F272-I300 PolarHBondContact N-O 2.89Å; F272-I300 PolarHBondContact O-N 2.72Å; A274-I300 HydrophobicContact CB-CD1 3.65Å; A274-I300 HydrophobicContact CB-CG1 4.41Å; I300-M302 HydrophobicContact CG2-SD 4.37Å; I300-L309 HydrophobicContact CD1-CB 3.75Å; I300-L309 HydrophobicContact CD1-CD1 3.99Å; I300-L309 HydrophobicContact CD1-CD2 4.15Å; I300-L309 HydrophobicContact CD1-CG 4.18Å; I300-L309 HydrophobicContact CG1-CD1 4.42Å
301A78.1Confident74.8Confident85 Ų8573.7 Ų73.770%0.70239%0.388SS*.EExtended strand (participates in β ladder)trans-73.7133.1169.500000108.8
302M76.8Confident76.2Confident25 Ų2574.4 Ų74.412%0.12339%0.393CS..  trans-100.4131.3178.3-59.8-65.9-69.600109.4I263 T265 V269 F272 I300 R306I263-M302 HydrophobicContact CB-CE 4.4Å; I263-M302 HydrophobicContact CB-SD 4.49Å; I263-M302 HydrophobicContact CG2-CE 4Å; I263-M302 HydrophobicContact CG2-SD 4.32Å; T265-M302 HydrophobicContact CG2-CE 3.9Å; V269-M302 WeakPolarHBondContact O-CB 3.26Å; V269-M302 WeakPolarHBondContact O-CG 3.43Å; F272-M302 HydrophobicContact CB-SD 4.46Å; F272-M302 HydrophobicContact CD2-CE 4.19Å; F272-M302 HydrophobicContact CD2-CG 3.73Å; F272-M302 HydrophobicContact CD2-SD 3.73Å; F272-M302 HydrophobicContact CE2-CE 4.24Å; F272-M302 HydrophobicContact CE2-CG 4.39Å; F272-M302 HydrophobicContact CE2-SD 4.37Å; F272-M302 HydrophobicContact CG-SD 4.34Å; I300-M302 HydrophobicContact CG2-SD 4.37Å; M302-R306 CarbonylContact C-O 3.49Å; M302-R306 WeakPolarHBondContact CA-O 3.43Å
303E80.7Confident77.4Confident167 Ų16772.9 Ų72.978%0.7838%0.377SS*.BIsolated β-bridgetrans-94102.4166.5-68.4-179.7-178.300107.8L305 R306E303-L305 PolarHBondContact O-N 3.32Å; E303-R306 PolarHBondContact N-O 3.02Å; E303-R306 PolarHBondContact O-N 3.37Å
304D79.5Confident78.1Confident143 Ų14373.2 Ų73.277%0.76537%0.374SS*.THydrogen-bonded Turntrans54.2-92.2-170.7-65.1-33.7000113.7
305L83.1Confident78.2Confident71 Ų7172.1 Ų72.137%0.37238%0.377SS..THydrogen-bonded Turntrans-116.56.2-175.8-61.6178.2000112.8R264 T265 P268 E303R264-L305 WeakPolarHBondContact CA-O 3.5Å; T265-L305 PolarHBondContact N-O 3.5Å; P268-L305 HydrophobicContact CG-CD2 4.09Å; E303-L305 PolarHBondContact O-N 3.32Å
306R83.8Confident78.4Confident163 Ų16376.5 Ų76.562%0.61539%0.393SS*.EExtended strand (participates in β ladder)trans-130.3142.7-174.4-64.6-176-179.5173.93112I263 M302 E303I263-R306 VanDerWaalsContact O-CA 3.31Å; I263-R306 WeakPolarHBondContact O-CA 3.31Å; M302-R306 CarbonylContact C-O 3.49Å; M302-R306 WeakPolarHBondContact CA-O 3.43Å; E303-R306 PolarHBondContact N-O 3.02Å; E303-R306 PolarHBondContact O-N 3.37Å
307G82.4Confident78.5Confident7 Ų773.4 Ų73.47%0.07238%0.379CS..EExtended strand (participates in β ladder)trans-143.5162.117000000110.3I263I263-G307 PolarHBondContact N-O 2.98Å; I263-G307 PolarHBondContact O-N 2.85Å
308T83.3Confident78.2Confident70 Ų7067.7 Ų67.743%0.42935%0.352SS..EExtended strand (participates in β ladder)trans-127.8136.6176.6-58.30000109.6F261 D262 E310F261-T308 WeakPolarHBondContact O-CA 3.41Å; D262-T308 PolarHBondContact OD1-OG1 2.78Å; T308-E310 HydrophobicContact CG2-CG 3.92Å
309L81.3Confident77.9Confident5 Ų566.7 Ų66.73%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-118.4122.3179.3169.558.8000109S260 F261 A274 F276 S298 I300 F311 V323 V325S260-L309 CarbonylContact C-O 3.57Å; S260-L309 VanDerWaalsContact CA-O 3.29Å; S260-L309 WeakPolarHBondContact CA-O 3.18Å; F261-L309 HydrophobicContact CB-CB 4.31Å; F261-L309 PolarHBondContact N-O 3.1Å; F261-L309 PolarHBondContact O-N 3.37Å; A274-L309 HydrophobicContact CB-CD1 4.12Å; A274-L309 HydrophobicContact CB-CD2 3.74Å; F276-L309 HydrophobicContact CE2-CD1 4.42Å; F276-L309 HydrophobicContact CE2-CD2 3.87Å; F276-L309 HydrophobicContact CE2-CG 4.43Å; F276-L309 HydrophobicContact CZ-CD2 4.06Å; S298-L309 WeakPolarHBondContact OG-CD1 3.23Å; I300-L309 HydrophobicContact CD1-CB 3.75Å; I300-L309 HydrophobicContact CD1-CD1 3.99Å; I300-L309 HydrophobicContact CD1-CD2 4.15Å; I300-L309 HydrophobicContact CD1-CG 4.18Å; I300-L309 HydrophobicContact CG1-CD1 4.42Å; L309-F311 HydrophobicContact CD1-CD1 4.23Å; L309-F311 HydrophobicContact CG-CD1 4.15Å; L309-F311 HydrophobicContact CG-CE1 4.33Å; L309-V323 HydrophobicContact CD2-CG1 4.12Å; L309-V325 HydrophobicContact CD2-CG1 4.27Å
310E81.6Confident77.4Confident116 Ų11661.2 Ų61.254%0.54232%0.321SS..EExtended strand (participates in β ladder)trans-130.6136.2178.8-50.1-161144.400111.8M258 L259 S260 T308M258-E310 HydrophobicContact CE-CB 4.01Å; L259-E310 VanDerWaalsContact O-CA 3.24Å; L259-E310 WeakPolarHBondContact O-CA 3.4Å; S260-E310 WeakPolarHBondContact CB-OE1 3.45Å; S260-E310 PolarHBondContact OG-OE1 3.49Å; T308-E310 HydrophobicContact CG2-CG 3.92Å
311F78.7Confident77.2Confident11 Ų1160.9 Ų60.95%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-163164.817763.1-78.8000110.4L259 F261 F276 L309 M317L259-F311 HydrophobicContact CB-CE1 4.13Å; L259-F311 HydrophobicContact CB-CE2 4.23Å; L259-F311 HydrophobicContact CB-CZ 3.77Å; L259-F311 HydrophobicContact CD1-CE2 3.81Å; L259-F311 HydrophobicContact CD1-CZ 3.74Å; L259-F311 HydrophobicContact CG-CE2 4.44Å; L259-F311 HydrophobicContact CG-CZ 4.33Å; L259-F311 PolarHBondContact N-O 3.46Å; L259-F311 PolarHBondContact O-N 3.12Å; F261-F311 AromaticContact CD2-CE1 3.66Å; F261-F311 HydrophobicContact CD2-CE1 3.66Å; F261-F311 HydrophobicContact CD2-CZ 4.28Å; F261-F311 AromaticContact CE2-CE1 3.27Å; F261-F311 HydrophobicContact CE2-CE1 3.27Å; F261-F311 AromaticContact CE2-CZ 3.44Å; F261-F311 HydrophobicContact CE2-CZ 3.44Å; F261-F311 VanDerWaalsContact CE2-CZ 3.44Å; F261-F311 HydrophobicContact CZ-CE1 4.35Å; F261-F311 HydrophobicContact CZ-CZ 4.16Å; F276-F311 HydrophobicContact CD1-CE1 4.5Å; F276-F311 AromaticContact CD1-CE2 3.89Å; F276-F311 HydrophobicContact CD1-CE2 3.89Å; F276-F311 AromaticContact CD1-CZ 3.89Å; F276-F311 HydrophobicContact CD1-CZ 3.89Å; F276-F311 HydrophobicContact CE1-CD1 4.26Å; F276-F311 HydrophobicContact CE1-CD2 4.27Å; F276-F311 AromaticContact CE1-CE1 3.44Å; F276-F311 HydrophobicContact CE1-CE1 3.44Å; F276-F311 VanDerWaalsContact CE1-CE1 3.44Å; F276-F311 AromaticContact CE1-CE2 3.38Å; F276-F311 HydrophobicContact CE1-CE2 3.38Å; F276-F311 AromaticContact CE1-CZ 2.92Å; F276-F311 HydrophobicContact CE1-CZ 2.92Å; F276-F311 AromaticContact CE2-CD1 3.62Å; F276-F311 HydrophobicContact CE2-CD1 3.62Å; F276-F311 HydrophobicContact CE2-CD2 4.48Å; F276-F311 AromaticContact CE2-CE1 3.46Å; F276-F311 HydrophobicContact CE2-CE1 3.46Å; F276-F311 VanDerWaalsContact CE2-CE1 3.46Å; F276-F311 HydrophobicContact CE2-CE2 4.29Å; F276-F311 HydrophobicContact CE2-CG 4.19Å; F276-F311 AromaticContact CE2-CZ 3.84Å; F276-F311 HydrophobicContact CE2-CZ 3.84Å; F276-F311 AromaticContact CZ-CD1 3.54Å; F276-F311 HydrophobicContact CZ-CD1 3.54Å; F276-F311 HydrophobicContact CZ-CD2 4.3Å; F276-F311 AromaticContact CZ-CE1 2.85Å; F276-F311 HydrophobicContact CZ-CE1 2.85Å; F276-F311 AromaticContact CZ-CE2 3.7Å; F276-F311 HydrophobicContact CZ-CE2 3.7Å; F276-F311 HydrophobicContact CZ-CG 4.24Å; F276-F311 AromaticContact CZ-CZ 2.96Å; F276-F311 HydrophobicContact CZ-CZ 2.96Å; L309-F311 HydrophobicContact CD1-CD1 4.23Å; L309-F311 HydrophobicContact CG-CD1 4.15Å; L309-F311 HydrophobicContact CG-CE1 4.33Å; F311-M317 HydrophobicContact CD2-CE 3.8Å; F311-M317 HydrophobicContact CE2-CE 3.78Å; F311-M317 HydrophobicContact CE2-SD 4.07Å
312E81.6Confident77.1Confident107 Ų10756.8 Ų56.850%0.529%0.286SS..EExtended strand (participates in β ladder)trans-86.8136.6-178-167.8-175.3167.500112.7G256 M258 T314G256-E312 WeakPolarHBondContact CA-OE1 3.44Å; M258-E312 HydrophobicContact SD-CB 3.87Å; E312-T314 PolarHBondContact O-N 3.06Å
313A77Confident77.2Confident1 Ų155.6 Ų55.61%0.00828%0.28CS..  trans-71.4110.3173.100000111.5I253 Q254 G256 K257 L259I253-A313 HydrophobicContact CG2-CB 3.85Å; Q254-A313 WeakPolarHBondContact O-CB 3.34Å; G256-A313 PolarHBondContact N-O 3.33Å; K257-A313 WeakPolarHBondContact O-CB 3.35Å; K257-A313 PolarHBondContact O-N 3.48Å; L259-A313 HydrophobicContact CD1-CB 3.94Å; L259-A313 HydrophobicContact CG-CB 4.08Å
314T75Confident77.3Confident52 Ų5247.7 Ų47.732%0.31924%0.243SC..  trans-101.1158-178.267.50000112.9L255 E312 K316 M317L255-T314 VanDerWaalsContact CD2-C 3.46Å; L255-T314 WeakPolarHBondContact CD2-O 3.24Å; E312-T314 PolarHBondContact O-N 3.06Å; T314-K316 PolarHBondContact O-N 2.85Å; T314-K316 VanDerWaalsContact O-N 3.07Å; T314-M317 PolarHBondContact N-SD 2.78Å; T314-M317 WeakPolarHBondContact O-CB 3.4Å; T314-M317 PolarHBondContact O-N 2.91Å
315A71.6Confident77.6Confident62 Ų6240.9 Ų40.951%0.51221%0.207SC..G310 helixtrans-59.1-22.8178.300000113.7L255 M317 A318L255-A315 HydrophobicContact CD2-CB 4.48Å; A315-M317 PolarHBondContact O-N 2.85Å; A315-A318 PolarHBondContact O-N 2.84Å
316K73.4Confident77.9Confident135 Ų13540.4 Ų40.459%0.58720%0.2SC*.G310 helixtrans-65.1-27176-66.3-177.9-178.9177.50112.3L278 V295 T314 A318L278-K316 HydrophobicContact CD1-CB 4.29Å; L278-K316 HydrophobicContact CD2-CB 4.41Å; L278-K316 WeakPolarHBondContact CD2-O 3.37Å; V295-K316 HydrophobicContact CG1-CB 3.98Å; V295-K316 HydrophobicContact CG1-CD 4.05Å; T314-K316 PolarHBondContact O-N 2.85Å; T314-K316 VanDerWaalsContact O-N 3.07Å; K316-A318 VanDerWaalsContact C-N 3.3Å; K316-A318 PolarHBondContact O-N 2.85Å
317M71.2Confident78.1Confident5 Ų532.8 Ų32.83%0.02517%0.172CC..G310 helixtrans-80.6-4.2-175.9-61.9170.117800114.2F276 V295 F311 T314 A315 K320 S321 V344F276-M317 HydrophobicContact CD1-CE 4.42Å; V295-M317 HydrophobicContact CG2-CE 4.38Å; V295-M317 HydrophobicContact CG2-CG 4.43Å; F311-M317 HydrophobicContact CD2-CE 3.8Å; F311-M317 HydrophobicContact CE2-CE 3.78Å; F311-M317 HydrophobicContact CE2-SD 4.07Å; T314-M317 PolarHBondContact N-SD 2.78Å; T314-M317 WeakPolarHBondContact O-CB 3.4Å; T314-M317 PolarHBondContact O-N 2.91Å; A315-M317 PolarHBondContact O-N 2.85Å; M317-K320 CarbonylContact O-C 3.47Å; M317-K320 PolarHBondContact O-N 2.79Å; M317-S321 WeakPolarHBondContact O-CB 3.32Å; M317-S321 PolarHBondContact O-N 2.77Å; M317-S321 PolarHBondContact O-OG 3.2Å; M317-V344 HydrophobicContact CB-CG2 4.02Å; M317-V344 WeakPolarHBondContact O-CG2 3.48Å
318A72.3Confident78.3Confident9 Ų935.9 Ų35.97%0.07419%0.186CC..  trans-96.9152.8-178.800000113.6A315 K316 K320 V344 A347A315-A318 PolarHBondContact O-N 2.84Å; K316-A318 VanDerWaalsContact C-N 3.3Å; K316-A318 PolarHBondContact O-N 2.85Å; A318-K320 VanDerWaalsContact C-N 3.31Å; A318-V344 HydrophobicContact CB-CB 3.96Å; A318-V344 HydrophobicContact CB-CG1 3.96Å; A318-A347 HydrophobicContact CB-CB 3.34Å
319P68Low78.5Confident6 Ų632.8 Ų32.84%0.03917%0.167CC..SBendcis-79.4-11.9-0.833.4-34.8000113.1V344 I406 M407P319-V344 PolarHBondContact O-N 2.94Å; P319-I406 HydrophobicContact CG-CB 4.35Å; P319-I406 HydrophobicContact CG-CG2 3.94Å; P319-M407 HydrophobicContact CG-CG 4.36Å
320K69.7Low78.5Confident37 Ų3735.1 Ų35.116%0.16118%0.183CC..EExtended strand (participates in β ladder)trans-146.2141.8-179.6-166.8179.6170.4-158.80111.2M317 A318 D341 L342 M407 E410M317-K320 CarbonylContact O-C 3.47Å; M317-K320 PolarHBondContact O-N 2.79Å; A318-K320 VanDerWaalsContact C-N 3.31Å; K320-D341 WeakPolarHBondContact CE-OD2 3.46Å; K320-D341 IonicContact NZ-OD2 2.98Å; K320-D341 PolarHBondContact NZ-OD2 3.15Å; K320-L342 CarbonylContact C-O 3.53Å; K320-L342 VanDerWaalsContact CA-O 3.25Å; K320-L342 WeakPolarHBondContact CA-O 3.38Å; K320-L342 WeakPolarHBondContact CG-O 3.47Å; K320-M407 HydrophobicContact CB-CE 4.17Å; K320-M407 HydrophobicContact CD-CE 4.09Å; K320-E410 WeakPolarHBondContact CD-OE2 3.2Å; K320-E410 IonicContact NZ-OE2 2.89Å; K320-E410 PolarHBondContact NZ-OE2 3.02Å
321S72.9Confident78.5Confident1 Ų137 Ų371%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-139.1167.6175.754.30000110.6M317 L342M317-S321 WeakPolarHBondContact O-CB 3.32Å; M317-S321 PolarHBondContact O-N 2.77Å; M317-S321 PolarHBondContact O-OG 3.2Å; S321-L342 PolarHBondContact N-O 3.03Å; S321-L342 PolarHBondContact O-N 3.15Å
322R75.8Confident78.8Confident0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-123.8135.6175.8172.8170.4-77.3-161.8-13.7110.6L277 R279 A339 L340 D341 S452 S453L277-R322 PolarHBondContact N-O 3.17Å; L277-R322 PolarHBondContact O-N 3.07Å; R279-R322 HydrophobicContact CG-CB 4.23Å; R322-A339 HydrophobicContact CG-CB 4.32Å; R322-L340 WeakPolarHBondContact CA-O 3.26Å; R322-D341 IonicContact CZ-OD1 3.79Å; R322-D341 VanDerWaalsContact CZ-OD1 3.24Å; R322-D341 IonicContact NE-OD1 3.75Å; R322-D341 PolarHBondContact NE-OD1 3.16Å; R322-D341 IonicContact NH2-OD1 2.85Å; R322-D341 PolarHBondContact NH2-OD1 3.29Å; R322-D341 IonicContact NH2-OD2 3.85Å; R322-S452 PolarHBondContact NH1-OG 3.2Å; R322-S453 WeakPolarHBondContact CD-OG 3.4Å; R322-S453 PolarHBondContact NH1-OG 3.11Å
323V78.8Confident79.1Confident0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-97.9134.1165.6-165.40000107.9L246 F261 F276 L309 V325 A339 L340 L342L246-V323 HydrophobicContact CD2-CB 3.71Å; L246-V323 HydrophobicContact CD2-CG1 3.6Å; F261-V323 HydrophobicContact CE1-CG2 4.41Å; F261-V323 HydrophobicContact CZ-CG2 4.29Å; F276-V323 HydrophobicContact CD1-CB 4.43Å; F276-V323 HydrophobicContact CD1-CG1 4.44Å; F276-V323 HydrophobicContact CD1-CG2 3.89Å; F276-V323 HydrophobicContact CD2-CG1 4.48Å; F276-V323 HydrophobicContact CE1-CB 3.79Å; F276-V323 HydrophobicContact CE1-CG1 3.69Å; F276-V323 HydrophobicContact CE1-CG2 3.07Å; F276-V323 HydrophobicContact CE2-CG1 3.74Å; F276-V323 HydrophobicContact CZ-CB 3.84Å; F276-V323 HydrophobicContact CZ-CG1 3.19Å; F276-V323 HydrophobicContact CZ-CG2 3.49Å; F276-V323 VanDerWaalsContact CZ-CG2 3.49Å; L309-V323 HydrophobicContact CD2-CG1 4.12Å; V323-V325 HydrophobicContact CG1-CG1 4.45Å; V323-A339 CarbonylContact O-C 3.59Å; V323-A339 WeakPolarHBondContact O-CA 3.48Å; V323-A339 WeakPolarHBondContact O-CB 3.48Å; V323-L340 PolarHBondContact N-O 2.99Å; V323-L340 PolarHBondContact O-N 3.21Å; V323-L342 HydrophobicContact CG2-CD1 3.31Å; V323-L342 HydrophobicContact CG2-CD2 4.29Å; V323-L342 HydrophobicContact CG2-CG 3.76Å
324L83.1Confident79.7Confident0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-129.7134.5171.5-177.7150.8000108.7A274 L275 L277 Y326 V337 D338 A339 I449 F450 L455A274-L324 CarbonylContact C-O 3.57Å; A274-L324 WeakPolarHBondContact CA-O 3.17Å; L275-L324 HydrophobicContact CD1-CD2 4.3Å; L275-L324 PolarHBondContact N-O 3.41Å; L275-L324 PolarHBondContact O-N 3.03Å; L277-L324 HydrophobicContact CD1-CB 4.37Å; L324-Y326 HydrophobicContact CD2-CD1 4.09Å; L324-V337 HydrophobicContact CD1-CG2 3.99Å; L324-V337 HydrophobicContact CD2-CG2 3.7Å; L324-V337 HydrophobicContact CG-CG2 3.7Å; L324-D338 CarbonylContact C-O 3.48Å; L324-D338 WeakPolarHBondContact CA-O 3.39Å; L324-A339 HydrophobicContact CB-CB 4.32Å; L324-A339 HydrophobicContact CD1-CB 4.44Å; L324-A339 HydrophobicContact CG-CB 4.4Å; L324-I449 HydrophobicContact CD1-CG2 3.97Å; L324-F450 HydrophobicContact CD1-CD1 3.9Å; L324-F450 HydrophobicContact CD1-CE1 4.07Å; L324-F450 HydrophobicContact CD2-CD1 4.26Å; L324-F450 HydrophobicContact CD2-CE1 3.59Å; L324-F450 HydrophobicContact CD2-CZ 4.19Å; L324-F450 HydrophobicContact CG-CE1 4.49Å; L324-L455 HydrophobicContact CD1-CD1 4.48Å
325V85.1Confident80.4Confident0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans-125.5133.6174.3-59.30000109.1L246 I263 F272 V273 A274 L309 V323 V337 D338L246-V325 HydrophobicContact CB-CG2 4.2Å; L246-V325 HydrophobicContact CD1-CG1 3.91Å; L246-V325 HydrophobicContact CD1-CG2 4.22Å; L246-V325 HydrophobicContact CD2-CG1 4.44Å; I263-V325 HydrophobicContact CD1-CB 4.16Å; I263-V325 HydrophobicContact CD1-CG1 3.86Å; I263-V325 HydrophobicContact CD1-CG2 4.32Å; F272-V325 HydrophobicContact CD1-CB 4.24Å; F272-V325 HydrophobicContact CD1-CG2 4.49Å; V273-V325 WeakPolarHBondContact O-CA 3.27Å; A274-V325 HydrophobicContact CB-CG1 3.78Å; L309-V325 HydrophobicContact CD2-CG1 4.27Å; V323-V325 HydrophobicContact CG1-CG1 4.45Å; V325-V337 CarbonylContact O-C 3.34Å; V325-V337 VanDerWaalsContact O-CA 3.27Å; V325-V337 WeakPolarHBondContact O-CA 3.27Å; V325-V337 WeakPolarHBondContact O-CG2 3.5Å; V325-D338 HydrophobicContact CG2-CB 4.19Å; V325-D338 PolarHBondContact N-O 3.04Å; V325-D338 PolarHBondContact O-N 3.12Å
326Y88.9Confident81.2Confident62 Ų6234.8 Ų34.824%0.24318%0.177CC..EExtended strand (participates in β ladder)trans-136.615317679.1-87.4000112F272 V273 L275 L324 I335 I336 F450F272-Y326 WeakPolarHBondContact CA-O 3.22Å; F272-Y326 WeakPolarHBondContact CD1-O 3.46Å; V273-Y326 HydrophobicContact CB-CD1 4.11Å; V273-Y326 HydrophobicContact CB-CE1 3.53Å; V273-Y326 HydrophobicContact CB-CE2 4.43Å; V273-Y326 HydrophobicContact CG1-CE1 3.7Å; V273-Y326 HydrophobicContact CG2-CE1 4.37Å; V273-Y326 PolarHBondContact N-O 3.04Å; V273-Y326 PolarHBondContact O-N 3.38Å; L275-Y326 HydrophobicContact CD1-CE1 4.21Å; L324-Y326 HydrophobicContact CD2-CD1 4.09Å; Y326-I335 HydrophobicContact CD2-CG2 4.22Å; Y326-I336 CarbonylContact C-O 3.46Å; Y326-I336 VanDerWaalsContact CA-O 3.23Å; Y326-I336 WeakPolarHBondContact CA-O 3.33Å; Y326-F450 HydrophobicContact CD1-CE1 4.28Å; Y326-F450 HydrophobicContact CD1-CZ 4.15Å; Y326-F450 HydrophobicContact CG-CE1 4.5Å; Y326-F450 AromaticContact CG-CZ 3.91Å; Y326-F450 HydrophobicContact CG-CZ 3.91Å
327G88Confident81.8Confident2 Ų228.7 Ų28.72%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-143.815717800000110.4I335 I336G327-I335 WeakPolarHBondContact O-CA 3.48Å; G327-I336 PolarHBondContact N-O 2.87Å; G327-I336 PolarHBondContact O-N 3.33Å
328I88Confident82.4Confident72 Ų7229.3 Ų29.337%0.36915%0.154SC..EExtended strand (participates in β ladder)trans-112.1123.8-179.7-54.7177.8000108.2I335 A461I328-I335 HydrophobicContact CG1-CG1 4.33Å; I328-A461 HydrophobicContact CD1-CB 4.18Å; I328-A461 HydrophobicContact CG2-CB 4.25Å
329L86.6Confident82.7Confident5 Ų529.3 Ų29.33%0.02615%0.154CC..  trans-67.9134.5176.3-72.9166.4000110.2N242 V269 D331 S332 K333 E334 I336N242-L329 HydrophobicContact CB-CD1 3.69Å; V269-L329 HydrophobicContact CG2-CD2 3.76Å; L329-D331 PolarHBondContact O-N 2.96Å; L329-S332 WeakPolarHBondContact CB-OG 3.36Å; L329-K333 VanDerWaalsContact O-CA 3.28Å; L329-K333 WeakPolarHBondContact O-CA 3.49Å; L329-K333 PolarHBondContact O-N 3.37Å; L329-K333 VanDerWaalsContact O-N 3.13Å; L329-E334 HydrophobicContact CD1-CB 4.18Å; L329-E334 PolarHBondContact N-O 3.47Å; L329-I336 HydrophobicContact CD1-CG2 3.94Å; L329-I336 HydrophobicContact CD2-CD1 4.45Å; L329-I336 HydrophobicContact CG-CG2 4.42Å
330P82.3Confident83Confident55 Ų5530.7 Ų30.736%0.35716%0.161SC..THydrogen-bonded Turntrans-64.1-38.9-171.121.9-31.5000113.1K333P330-K333 WeakPolarHBondContact O-CE 3.49Å; P330-K333 PolarHBondContact O-NZ 3.31Å
331D81.2Confident83.1Confident154 Ų15431.2 Ų31.282%0.82417%0.166SC*.THydrogen-bonded Turntrans-89.3-54.9-171.7-57.9-29.8000112.3L329 K333L329-D331 PolarHBondContact O-N 2.96Å; D331-K333 VanDerWaalsContact C-N 3.29Å; D331-K333 PolarHBondContact O-N 3.4Å
332S83.7Confident83Confident59 Ų5931.6 Ų31.641%0.41317%0.168SC..THydrogen-bonded Turntrans-77.5-14.1-177.861.10000113.8L329 E334L329-S332 WeakPolarHBondContact CB-OG 3.36Å; S332-E334 PolarHBondContact O-N 2.87Å; S332-E334 VanDerWaalsContact O-N 3.11Å; S332-E334 WeakPolarHBondContact OG-CB 3.37Å; S332-E334 PolarHBondContact OG-N 3.24Å
333K88Confident82.8Confident120 Ų12037.2 Ų37.252%0.52219%0.192SC..  trans54.220.8-167.3-53.5-56.1-173.8-160.90113.5L329 P330 D331 A461 F462L329-K333 VanDerWaalsContact O-CA 3.28Å; L329-K333 WeakPolarHBondContact O-CA 3.49Å; L329-K333 PolarHBondContact O-N 3.37Å; L329-K333 VanDerWaalsContact O-N 3.13Å; P330-K333 WeakPolarHBondContact O-CE 3.49Å; P330-K333 PolarHBondContact O-NZ 3.31Å; D331-K333 VanDerWaalsContact C-N 3.29Å; D331-K333 PolarHBondContact O-N 3.4Å; K333-A461 WeakPolarHBondContact O-CB 3.36Å; K333-F462 PolarHBondContact O-N 3.04Å
334E90.5Very high82.4Confident2 Ų237.3 Ų37.31%0.00919%0.193CC..BIsolated β-bridgetrans-74.2138.6176.4178.9-177.8173.600111S238 P239 S240 L329 S332 F462S238-E334 WeakPolarHBondContact CB-OE1 3.41Å; S238-E334 PolarHBondContact OG-OE1 3Å; S238-E334 PolarHBondContact OG-OE2 3.46Å; P239-E334 WeakPolarHBondContact CD-OE1 3.47Å; S240-E334 WeakPolarHBondContact CB-OE2 3.31Å; S240-E334 PolarHBondContact N-OE2 3.46Å; S240-E334 PolarHBondContact OG-OE2 3.21Å; L329-E334 HydrophobicContact CD1-CB 4.18Å; L329-E334 PolarHBondContact N-O 3.47Å; S332-E334 PolarHBondContact O-N 2.87Å; S332-E334 VanDerWaalsContact O-N 3.11Å; S332-E334 WeakPolarHBondContact OG-CB 3.37Å; S332-E334 PolarHBondContact OG-N 3.24Å; E334-F462 WeakPolarHBondContact CA-O 3.07Å; E334-F462 HydrophobicContact CB-CD1 4.05Å; E334-F462 HydrophobicContact CG-CD1 4.07Å
335I89.6Confident81.7Confident3 Ų340.9 Ų40.92%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-85.9119.5172.1-57.8-179.6000109.4Y326 G327 I328 F450 T459 A461 F462 L463Y326-I335 HydrophobicContact CD2-CG2 4.22Å; G327-I335 WeakPolarHBondContact O-CA 3.48Å; I328-I335 HydrophobicContact CG1-CG1 4.33Å; I335-F450 HydrophobicContact CG2-CE2 3.96Å; I335-F450 HydrophobicContact CG2-CZ 4.3Å; I335-T459 HydrophobicContact CD1-CG2 3.82Å; I335-A461 HydrophobicContact CD1-CB 4.04Å; I335-A461 HydrophobicContact CG1-CB 3.88Å; I335-F462 PolarHBondContact N-O 3.33Å; I335-L463 HydrophobicContact CB-CD1 4.21Å; I335-L463 HydrophobicContact CD1-CB 4.23Å; I335-L463 HydrophobicContact CD1-CD1 4.28Å; I335-L463 HydrophobicContact CG2-CD1 4.33Å
336I87.5Confident80.7Confident4 Ų442.1 Ų42.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-103.7136.6168.361.3175.6000109.4N242 A244 T265 V269 F272 Y326 G327 L329N242-I336 HydrophobicContact CB-CG2 4.37Å; N242-I336 WeakPolarHBondContact O-CG2 3.37Å; A244-I336 HydrophobicContact CB-CD1 4.13Å; A244-I336 HydrophobicContact CB-CG1 4.23Å; T265-I336 HydrophobicContact CG2-CD1 4.44Å; V269-I336 HydrophobicContact CG2-CD1 4Å; F272-I336 HydrophobicContact CE1-CG1 4.48Å; F272-I336 HydrophobicContact CZ-CD1 3.89Å; F272-I336 HydrophobicContact CZ-CG1 4.03Å; Y326-I336 CarbonylContact C-O 3.46Å; Y326-I336 VanDerWaalsContact CA-O 3.23Å; Y326-I336 WeakPolarHBondContact CA-O 3.33Å; G327-I336 PolarHBondContact N-O 2.87Å; G327-I336 PolarHBondContact O-N 3.33Å; L329-I336 HydrophobicContact CD1-CG2 3.94Å; L329-I336 HydrophobicContact CD2-CD1 4.45Å; L329-I336 HydrophobicContact CG-CG2 4.42Å
337V86Confident79.6Confident7 Ų739.6 Ų39.64%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-144148.6-172.7620000110.9L324 V325 P446 I449 F450L324-V337 HydrophobicContact CD1-CG2 3.99Å; L324-V337 HydrophobicContact CD2-CG2 3.7Å; L324-V337 HydrophobicContact CG-CG2 3.7Å; V325-V337 CarbonylContact O-C 3.34Å; V325-V337 VanDerWaalsContact O-CA 3.27Å; V325-V337 WeakPolarHBondContact O-CA 3.27Å; V325-V337 WeakPolarHBondContact O-CG2 3.5Å; V337-P446 VanDerWaalsContact CG1-CA 3.42Å; V337-P446 HydrophobicContact CG1-CB 3.61Å; V337-P446 HydrophobicContact CG1-CG 4.24Å; V337-I449 HydrophobicContact CG1-CB 4.02Å; V337-I449 HydrophobicContact CG1-CD1 3.8Å; V337-I449 HydrophobicContact CG1-CG1 4.5Å; V337-I449 HydrophobicContact CG1-CG2 4.15Å; V337-I449 HydrophobicContact CG2-CG2 3.87Å; V337-F450 HydrophobicContact CB-CE2 3.98Å; V337-F450 HydrophobicContact CB-CZ 4.19Å; V337-F450 HydrophobicContact CG1-CD2 4.4Å; V337-F450 HydrophobicContact CG1-CE2 4Å; V337-F450 HydrophobicContact CG2-CE1 4.34Å; V337-F450 HydrophobicContact CG2-CE2 3.96Å; V337-F450 HydrophobicContact CG2-CZ 3.84Å
338D83.5Confident78.8Confident17 Ų1741.2 Ų41.29%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-138.5153.7168.3-16118.8000111.2K111 A244 Q245 L246 L324 V325K111-D338 WeakPolarHBondContact CE-OD1 3.41Å; K111-D338 IonicContact NZ-OD1 2.65Å; K111-D338 PolarHBondContact NZ-OD1 3.2Å; K111-D338 IonicContact NZ-OD2 2.79Å; K111-D338 PolarHBondContact NZ-OD2 2.88Å; A244-D338 WeakPolarHBondContact O-CB 3.06Å; Q245-D338 VanDerWaalsContact CA-OD2 3.28Å; Q245-D338 WeakPolarHBondContact CA-OD2 3.46Å; L246-D338 HydrophobicContact CB-CB 4.36Å; L246-D338 PolarHBondContact N-OD2 3.32Å; L324-D338 CarbonylContact C-O 3.48Å; L324-D338 WeakPolarHBondContact CA-O 3.39Å; V325-D338 HydrophobicContact CG2-CB 4.19Å; V325-D338 PolarHBondContact N-O 3.04Å; V325-D338 PolarHBondContact O-N 3.12Å
339A79.5Confident77.6Confident9 Ų939.3 Ų39.37%0.07421%0.214CC..EExtended strand (participates in β ladder)trans-142.8145.8178.100000112.7R322 V323 L324 I449R322-A339 HydrophobicContact CG-CB 4.32Å; V323-A339 CarbonylContact O-C 3.59Å; V323-A339 WeakPolarHBondContact O-CA 3.48Å; V323-A339 WeakPolarHBondContact O-CB 3.48Å; L324-A339 HydrophobicContact CB-CB 4.32Å; L324-A339 HydrophobicContact CD1-CB 4.44Å; L324-A339 HydrophobicContact CG-CB 4.4Å; A339-I449 HydrophobicContact CB-CG2 3.72Å
340L73.5Confident76.5Confident36 Ų3645.1 Ų45.119%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-133.2132179.1-175.268.6000110.4L246 P248 F261 R322 V323 L342L246-L340 HydrophobicContact CD2-CB 3.93Å; P248-L340 HydrophobicContact CB-CD2 3.94Å; P248-L340 HydrophobicContact CG-CD2 3.78Å; F261-L340 HydrophobicContact CD1-CD2 4.31Å; F261-L340 HydrophobicContact CE1-CD2 3.92Å; R322-L340 WeakPolarHBondContact CA-O 3.26Å; V323-L340 PolarHBondContact N-O 2.99Å; V323-L340 PolarHBondContact O-N 3.21Å; L340-L342 HydrophobicContact CD2-CD2 3.71Å; L340-L342 HydrophobicContact CG-CD2 3.96Å
341D72.6Confident75.9Confident48 Ų4844.8 Ų44.826%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-86.2131.3172.3-77.65.4000109.9R279 K320 R322R279-D341 IonicContact NE-OD1 3.31Å; K320-D341 WeakPolarHBondContact CE-OD2 3.46Å; K320-D341 IonicContact NZ-OD2 2.98Å; K320-D341 PolarHBondContact NZ-OD2 3.15Å; R322-D341 IonicContact CZ-OD1 3.79Å; R322-D341 VanDerWaalsContact CZ-OD1 3.24Å; R322-D341 IonicContact NE-OD1 3.75Å; R322-D341 PolarHBondContact NE-OD1 3.16Å; R322-D341 IonicContact NH2-OD1 2.85Å; R322-D341 PolarHBondContact NH2-OD1 3.29Å; R322-D341 IonicContact NH2-OD2 3.85Å
342L70.5Confident76.1Confident9 Ų937.8 Ų37.85%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-115.4124.6-178.5-58.1-175.4000109.8I253 L259 F261 F276 K320 S321 V323 L340I253-L342 HydrophobicContact CD1-CB 3.6Å; I253-L342 HydrophobicContact CD1-CD1 3.92Å; I253-L342 HydrophobicContact CD1-CD2 3.78Å; I253-L342 HydrophobicContact CD1-CG 3.95Å; L259-L342 HydrophobicContact CD1-CD1 4.36Å; F261-L342 HydrophobicContact CE1-CD1 4.4Å; F261-L342 HydrophobicContact CE1-CD2 3.94Å; F261-L342 HydrophobicContact CZ-CD1 3.78Å; F261-L342 HydrophobicContact CZ-CD2 4.05Å; F276-L342 HydrophobicContact CE1-CD1 4.24Å; K320-L342 CarbonylContact C-O 3.53Å; K320-L342 VanDerWaalsContact CA-O 3.25Å; K320-L342 WeakPolarHBondContact CA-O 3.38Å; K320-L342 WeakPolarHBondContact CG-O 3.47Å; S321-L342 PolarHBondContact N-O 3.03Å; S321-L342 PolarHBondContact O-N 3.15Å; V323-L342 HydrophobicContact CG2-CD1 3.31Å; V323-L342 HydrophobicContact CG2-CD2 4.29Å; V323-L342 HydrophobicContact CG2-CG 3.76Å; L340-L342 HydrophobicContact CD2-CD2 3.71Å; L340-L342 HydrophobicContact CG-CD2 3.96Å
343K71.9Confident76.3Confident118 Ų11837.3 Ų37.351%0.51320%0.203SC..EExtended strand (participates in β ladder)trans-90.9124.7168.8-170.6-179.3177.2-173.80109.3D345K343-D345 VanDerWaalsContact CE-OD1 3.32Å; K343-D345 WeakPolarHBondContact CE-OD1 3.45Å; K343-D345 IonicContact NZ-OD1 4Å
344V70.6Confident76.4Confident2 Ų231.9 Ų31.91%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-114.2111.1-177.9-1770000108.3I253 L255 M317 A318 P319I253-V344 HydrophobicContact CB-CG2 4.47Å; I253-V344 HydrophobicContact CG2-CB 4.33Å; I253-V344 HydrophobicContact CG2-CG1 4.13Å; I253-V344 HydrophobicContact CG2-CG2 3.82Å; L255-V344 HydrophobicContact CD2-CG1 3.55Å; L255-V344 HydrophobicContact CG-CG1 4.15Å; M317-V344 HydrophobicContact CB-CG2 4.02Å; M317-V344 WeakPolarHBondContact O-CG2 3.48Å; A318-V344 HydrophobicContact CB-CB 3.96Å; A318-V344 HydrophobicContact CB-CG1 3.96Å; P319-V344 PolarHBondContact O-N 2.94Å
345D68.4Low76.5Confident75 Ų7540.3 Ų40.340%0.40121%0.212SC..EExtended strand (participates in β ladder)trans-85.6151.9-177-65.3-37000111.7I253 K343I253-D345 PolarHBondContact O-N 3.5Å; K343-D345 VanDerWaalsContact CE-OD1 3.32Å; K343-D345 WeakPolarHBondContact CE-OD1 3.45Å; K343-D345 IonicContact NZ-OD1 4Å
346G64.5Low76.6Confident25 Ų2540.9 Ų40.926%0.25821%0.214SC..  trans93.212.8162.900000117.7Y348G346-Y348 VanDerWaalsContact C-N 3.28Å; G346-Y348 PolarHBondContact O-N 3.17Å
347A65.8Low76.8Confident10 Ų1046.1 Ų46.18%0.08324%0.242CC..THydrogen-bonded Turntrans-67.7-22.8-179.100000115.3L255 A318 K570L255-A347 HydrophobicContact CD1-CB 4.31Å; A318-A347 HydrophobicContact CB-CB 3.34Å; A347-K570 PolarHBondContact O-NZ 3.47Å
348Y70Confident77.2Confident35 Ų3548.1 Ų48.114%0.13726%0.255CS..THydrogen-bonded Turntrans-112.9-14.6-172.4-50.8-65.5000114.4G346 I402 I406 L569 K570 V571G346-Y348 VanDerWaalsContact C-N 3.28Å; G346-Y348 PolarHBondContact O-N 3.17Å; Y348-I402 HydrophobicContact CD1-CG2 4.48Å; Y348-I402 HydrophobicContact CD2-CG2 3.9Å; Y348-I402 HydrophobicContact CE1-CG2 4.38Å; Y348-I402 HydrophobicContact CE2-CG2 3.78Å; Y348-I402 HydrophobicContact CG-CG2 4.27Å; Y348-I406 HydrophobicContact CE1-CD1 4.45Å; Y348-I406 HydrophobicContact CE2-CD1 4.1Å; Y348-I406 WeakPolarHBondContact OH-CD1 3.41Å; Y348-L569 WeakPolarHBondContact CD1-O 3.4Å; Y348-K570 WeakPolarHBondContact O-CA 3.18Å; Y348-V571 PolarHBondContact O-N 2.96Å
349T62.3Low77.5Confident32 Ų3250.5 Ų50.520%0.19627%0.273CS..THydrogen-bonded Turntrans-101.1-11.4-163.250.10000115.9A399 P573T349-A399 HydrophobicContact CG2-CB 3.73Å; T349-P573 HydrophobicContact CG2-CB 4.4Å
350N64.3Low78.1Confident128 Ų12858.6 Ų58.668%0.68430%0.302SS*.SBendtrans-99.6-9.8-162.5-65.7-5.4000115.2
351S70.8Confident79Confident48 Ų4857.5 Ų57.534%0.33630%0.297SS..SBendtrans-105.7-6.7-170.8-52.60000114.3A373S351-A373 WeakPolarHBondContact O-CA 3.24Å
352I85Confident79.9Confident6 Ų659.3 Ų59.33%0.03130%0.304CS..  trans-125.1133.2-179.3-171.3176.4000111.5I371 N372 A373 A560 K570 V571 A572I352-I371 HydrophobicContact CD1-CG2 3.94Å; I352-I371 HydrophobicContact CG1-CG2 3.87Å; I352-N372 CarbonylContact C-O 3.57Å; I352-N372 WeakPolarHBondContact CA-O 3.03Å; I352-A373 HydrophobicContact CB-CB 4.34Å; I352-A373 HydrophobicContact CD1-CB 4.35Å; I352-A373 HydrophobicContact CG1-CB 4.05Å; I352-A560 HydrophobicContact CD1-CB 4.07Å; I352-K570 HydrophobicContact CG2-CB 4.26Å; I352-V571 WeakPolarHBondContact CG2-O 3.41Å; I352-A572 HydrophobicContact CG2-CB 4.35Å; I352-A572 VanDerWaalsContact CG2-N 3.25Å
353S87.7Confident80.8Confident49 Ų4958.9 Ų58.934%0.34330%0.301SS..EExtended strand (participates in β ladder)trans-130.1130.1171.670.70000110.1I371 N372S353-I371 WeakPolarHBondContact O-CA 3.28Å; S353-N372 PolarHBondContact N-O 3.25Å; S353-N372 PolarHBondContact O-N 3.5Å
354L90.1Very high81.6Confident7 Ų756.7 Ų56.74%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-104.4135.5172.3174.563.2000108.4F369 I371 L381 A558 A560 E576L354-F369 HydrophobicContact CD1-CB 4.47Å; L354-F369 HydrophobicContact CD1-CD1 4.5Å; L354-I371 HydrophobicContact CD1-CD1 4.13Å; L354-I371 HydrophobicContact CD1-CG1 3.72Å; L354-L381 HydrophobicContact CD1-CD1 4.17Å; L354-L381 HydrophobicContact CD2-CD1 4.45Å; L354-A558 HydrophobicContact CD2-CB 3.77Å; L354-A560 HydrophobicContact CD2-CB 4.37Å; L354-E576 HydrophobicContact CB-CG 4.32Å; L354-E576 HydrophobicContact CD2-CB 4.21Å; L354-E576 HydrophobicContact CD2-CG 4.34Å; L354-E576 HydrophobicContact CG-CB 4.32Å; L354-E576 HydrophobicContact CG-CG 4.05Å; L354-E576 VanDerWaalsContact O-CG 3.29Å; L354-E576 WeakPolarHBondContact O-CG 3.3Å
355R92.2Very high82.6Confident179 Ų17959.1 Ų59.168%0.67531%0.31SS*.EExtended strand (participates in β ladder)trans-135.1140.5172-66.3-175.8-179.8179.30.6109.9S370R355-S370 PolarHBondContact N-O 3.47Å; R355-S370 PolarHBondContact O-N 2.9Å
356I92.5Very high83.8Confident15 Ų1559.7 Ų59.78%0.07731%0.313CS..EExtended strand (participates in β ladder)trans-111.1127175.9-50.7176.2000108.5V367 F369 A558 E576 L578I356-V367 HydrophobicContact CG2-CG1 3.37Å; I356-F369 HydrophobicContact CD1-CD1 4.29Å; I356-F369 HydrophobicContact CD1-CE1 3.83Å; I356-F369 HydrophobicContact CG1-CD1 3.83Å; I356-F369 HydrophobicContact CG1-CE1 3.84Å; I356-F369 HydrophobicContact CG2-CD1 4.46Å; I356-F369 HydrophobicContact CG2-CE1 4.15Å; I356-A558 HydrophobicContact CD1-CB 3.84Å; I356-E576 HydrophobicContact CD1-CB 3.58Å; I356-E576 HydrophobicContact CG1-CB 3.8Å; I356-L578 HydrophobicContact CD1-CB 4.13Å; I356-L578 HydrophobicContact CG2-CB 4.32Å; I356-L578 HydrophobicContact CG2-CD1 4.01Å
357N91.9Very high85.3Confident114 Ų11458.5 Ų58.561%0.6130%0.301SS*.EExtended strand (participates in β ladder)trans-131.4121.3175.9-170.716.5000110.6T368N357-T368 PolarHBondContact N-O 3.14Å; N357-T368 PolarHBondContact O-N 3.42Å
358P93.6Very high86.7Confident48 Ų4859.7 Ų59.731%0.31231%0.307SS..SBendcis-74.9158.2-7.9-7.425.7000112.1V361 L578P358-V361 HydrophobicContact CB-CG1 3.78Å; P358-V361 HydrophobicContact CG-CG1 3.65Å; P358-L578 WeakPolarHBondContact O-CD1 3.44Å
359S89.6Confident87.9Confident67 Ų6758 Ų5847%0.46930%0.301SS..SBendtrans-83.4-11.9175.558.90000114.3L578 E579S359-L578 WeakPolarHBondContact O-CA 3.31Å; S359-E579 PolarHBondContact O-N 2.94Å
360R92.1Very high89.3Confident180 Ų18058.8 Ų58.868%0.67931%0.307SS*.EExtended strand (participates in β ladder)trans-133.5126172.1-61.7-163.9166.1139.64.4109.8E579R360-E579 WeakPolarHBondContact CA-O 3.17Å; R360-E579 HydrophobicContact CG-CB 4.05Å; R360-E579 IonicContact CZ-OE2 3.87Å; R360-E579 IonicContact NE-OE2 3.28Å; R360-E579 PolarHBondContact NE-OE2 3.35Å; R360-E579 IonicContact NH2-OE2 2.91Å; R360-E579 PolarHBondContact NH2-OE2 2.94Å
361V93.4Very high90.7Very high12 Ų1252.8 Ų52.87%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-143.6160.1-176.8-61.50000111.8P358 T365 V367 A549 L578 E579 V580 F581P358-V361 HydrophobicContact CB-CG1 3.78Å; P358-V361 HydrophobicContact CG-CG1 3.65Å; V361-T365 HydrophobicContact CB-CG2 4.19Å; V361-T365 HydrophobicContact CG1-CG2 4.12Å; V361-V367 HydrophobicContact CB-CG2 4.5Å; V361-V367 HydrophobicContact CG1-CG2 4.01Å; V361-V367 HydrophobicContact CG2-CG2 3.91Å; V361-A549 HydrophobicContact CG2-CB 3.75Å; V361-L578 HydrophobicContact CG1-CD1 4.28Å; V361-L578 HydrophobicContact CG2-CD1 3.86Å; V361-L578 HydrophobicContact CG2-CD2 4.26Å; V361-L578 HydrophobicContact CG2-CG 4.31Å; V361-E579 PolarHBondContact N-O 3.3Å; V361-V580 HydrophobicContact CG2-CG2 3.95Å; V361-V580 WeakPolarHBondContact O-CA 3.49Å; V361-F581 PolarHBondContact O-N 3.41Å
362E90.9Very high91.7Very high86 Ų8654.1 Ų54.140%0.40228%0.278SS..  trans-79.7159.2160.9-63.3-154.8154.400109.9T365 R582E362-T365 VanDerWaalsContact O-CB 3.25Å; E362-T365 WeakPolarHBondContact O-CB 3.4Å; E362-T365 PolarHBondContact O-N 3.49Å; E362-T365 PolarHBondContact O-OG1 3.13Å; E362-R582 HydrophobicContact CB-CG 4.37Å; E362-R582 HydrophobicContact CG-CG 4.2Å; E362-R582 IonicContact OE2-NE 3.36Å
363P90.1Very high92Very high0 Ų054 Ų540%028%0.279CS..THydrogen-bonded Turntrans-44157.5167.9-34.639.8000113.9T365 R521 I553 V580 R582P363-T365 PolarHBondContact O-N 2.79Å; P363-R521 VanDerWaalsContact CB-NH2 3.27Å; P363-R521 PolarHBondContact O-NH1 2.85Å; P363-R521 PolarHBondContact O-NH2 3.46Å; P363-I553 HydrophobicContact CG-CD1 3.8Å; P363-V580 HydrophobicContact CB-CG1 4.44Å; P363-V580 HydrophobicContact CG-CG1 3.72Å; P363-R582 HydrophobicContact CG-CG 4.39Å
364N88.1Confident92Very high73 Ų7352.6 Ų52.639%0.3927%0.268SS..THydrogen-bonded Turntrans39.425.3-174.7-53.8-37.5000115.7R521 A549N364-R521 PolarHBondContact ND2-NH2 2.88Å; N364-A549 WeakPolarHBondContact CA-O 3.22Å; N364-A549 PolarHBondContact N-O 3.45Å; N364-A549 PolarHBondContact OD1-O 3.19Å
365T91.9Very high91.9Very high53 Ų5354.4 Ų54.433%0.32528%0.284SS..  trans-82.4141.8163.8-49.70000107.1V361 E362 P363 A549V361-T365 HydrophobicContact CB-CG2 4.19Å; V361-T365 HydrophobicContact CG1-CG2 4.12Å; E362-T365 VanDerWaalsContact O-CB 3.25Å; E362-T365 WeakPolarHBondContact O-CB 3.4Å; E362-T365 PolarHBondContact O-N 3.49Å; E362-T365 PolarHBondContact O-OG1 3.13Å; P363-T365 PolarHBondContact O-N 2.79Å; T365-A549 PolarHBondContact O-N 2.91Å
366D93.4Very high91.8Very high86 Ų8651.1 Ų51.146%0.4628%0.28SS..EExtended strand (participates in β ladder)trans-69.9131.9174.6-164.813.9000110.1L548D366-L548 HydrophobicContact CB-CD2 4.21Å
367V95.2Very high91.7Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-125.1129.4-179-176.70000108.2I356 V361 F369 W530 A547 A549 L578I356-V367 HydrophobicContact CG2-CG1 3.37Å; V361-V367 HydrophobicContact CB-CG2 4.5Å; V361-V367 HydrophobicContact CG1-CG2 4.01Å; V361-V367 HydrophobicContact CG2-CG2 3.91Å; V367-F369 HydrophobicContact CB-CE2 4.32Å; V367-F369 HydrophobicContact CG1-CE2 3.97Å; V367-F369 HydrophobicContact CG1-CZ 4.11Å; V367-W530 HydrophobicContact CB-CH2 4.18Å; V367-W530 HydrophobicContact CG2-CH2 4.3Å; V367-A547 PolarHBondContact N-O 3.12Å; V367-A547 PolarHBondContact O-N 2.82Å; V367-A547 VanDerWaalsContact O-N 3.12Å; V367-A549 HydrophobicContact CG2-CB 4.13Å; V367-L578 HydrophobicContact CG1-CD1 4.15Å; V367-L578 HydrophobicContact CG1-CD2 4.21Å; V367-L578 HydrophobicContact CG2-CD1 4.28Å; V367-L578 HydrophobicContact CG2-CD2 4.04Å
368T95.6Very high91.7Very high35 Ų3548.7 Ų48.722%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-102.7123.2178.2-53.30000110.2N357 H546N357-T368 PolarHBondContact N-O 3.14Å; N357-T368 PolarHBondContact O-N 3.42Å; T368-H546 VanDerWaalsContact CG2-CE1 3.44Å; T368-H546 WeakPolarHBondContact CG2-CE1 3.49Å; T368-H546 PolarHBondContact OG1-CE1 2.88Å; T368-H546 VanDerWaalsContact OG1-CE1 3.22Å; T368-H546 PolarHBondContact OG1-ND1 3.22Å; T368-H546 VanDerWaalsContact OG1-ND1 3.16Å
369F94.6Very high91.6Very high0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-96.2113.2169.4-61.1-93.9000107.9L354 I356 V367 I371 L381 V383 W530 I531 T544 H545 A547 A558L354-F369 HydrophobicContact CD1-CB 4.47Å; L354-F369 HydrophobicContact CD1-CD1 4.5Å; I356-F369 HydrophobicContact CD1-CD1 4.29Å; I356-F369 HydrophobicContact CD1-CE1 3.83Å; I356-F369 HydrophobicContact CG1-CD1 3.83Å; I356-F369 HydrophobicContact CG1-CE1 3.84Å; I356-F369 HydrophobicContact CG2-CD1 4.46Å; I356-F369 HydrophobicContact CG2-CE1 4.15Å; V367-F369 HydrophobicContact CB-CE2 4.32Å; V367-F369 HydrophobicContact CG1-CE2 3.97Å; V367-F369 HydrophobicContact CG1-CZ 4.11Å; F369-I371 HydrophobicContact CB-CD1 4.32Å; F369-L381 HydrophobicContact CB-CD2 4.06Å; F369-L381 HydrophobicContact CG-CD2 4.2Å; F369-V383 HydrophobicContact CD1-CG2 4.4Å; F369-V383 HydrophobicContact CE1-CG2 3.8Å; F369-V383 HydrophobicContact CZ-CG2 4.11Å; F369-W530 AromaticContact CE2-CH2 3.75Å; F369-W530 HydrophobicContact CE2-CH2 3.75Å; F369-W530 HydrophobicContact CE2-CZ2 4.27Å; F369-W530 HydrophobicContact CE2-CZ3 4.14Å; F369-W530 HydrophobicContact CZ-CE3 4.37Å; F369-W530 AromaticContact CZ-CH2 3.64Å; F369-W530 HydrophobicContact CZ-CH2 3.64Å; F369-W530 HydrophobicContact CZ-CZ2 4.5Å; F369-W530 AromaticContact CZ-CZ3 3.56Å; F369-W530 HydrophobicContact CZ-CZ3 3.56Å; F369-I531 HydrophobicContact CD2-CD1 3.97Å; F369-I531 HydrophobicContact CE2-CD1 3.41Å; F369-I531 VanDerWaalsContact CE2-CD1 3.41Å; F369-I531 HydrophobicContact CZ-CD1 3.72Å; F369-T544 VanDerWaalsContact O-CA 3.31Å; F369-T544 WeakPolarHBondContact O-CA 3.43Å; F369-H545 HydrophobicContact CB-CB 4.33Å; F369-H545 PolarHBondContact N-O 3.5Å; F369-H545 PolarHBondContact O-N 3.41Å; F369-A547 HydrophobicContact CE2-CB 4.48Å; F369-A558 HydrophobicContact CD1-CB 4.45Å; F369-A558 HydrophobicContact CE1-CB 4.1Å
370S93.4Very high91.7Very high48 Ų4843.5 Ų43.534%0.33623%0.229SC..EExtended strand (participates in β ladder)trans-105119177.6-59.40000109.3R355R355-S370 PolarHBondContact N-O 3.47Å; R355-S370 PolarHBondContact O-N 2.9Å
371I92.9Very high91.7Very high3 Ų335.1 Ų35.12%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-112127.9176.8-5587.7000107.7I352 S353 L354 F369 A373 V379 L381 L535 A543I352-I371 HydrophobicContact CD1-CG2 3.94Å; I352-I371 HydrophobicContact CG1-CG2 3.87Å; S353-I371 WeakPolarHBondContact O-CA 3.28Å; L354-I371 HydrophobicContact CD1-CD1 4.13Å; L354-I371 HydrophobicContact CD1-CG1 3.72Å; F369-I371 HydrophobicContact CB-CD1 4.32Å; I371-A373 HydrophobicContact CG2-CB 4.46Å; I371-V379 HydrophobicContact CB-CG1 4.47Å; I371-V379 HydrophobicContact CG1-CG1 4.35Å; I371-V379 HydrophobicContact CG2-CG1 4Å; I371-V379 HydrophobicContact CG2-CG2 4.4Å; I371-L381 HydrophobicContact CD1-CD2 4.46Å; I371-L535 HydrophobicContact CD1-CD1 3.96Å; I371-A543 HydrophobicContact CB-CB 4.41Å; I371-A543 PolarHBondContact N-O 2.92Å; I371-A543 PolarHBondContact O-N 3.21Å
372N92.2Very high91.7Very high75 Ų7535.6 Ų35.640%0.40120%0.2SC..EExtended strand (participates in β ladder)trans-111.6121.1167.6-169.5-1000107.2I352 S353 G541 N542I352-N372 CarbonylContact C-O 3.57Å; I352-N372 WeakPolarHBondContact CA-O 3.03Å; S353-N372 PolarHBondContact N-O 3.25Å; S353-N372 PolarHBondContact O-N 3.5Å; N372-G541 CarbonylContact C-O 3.47Å; N372-G541 WeakPolarHBondContact CA-O 3.37Å; N372-G541 PolarHBondContact OD1-O 2.98Å; N372-N542 PolarHBondContact OD1-OD1 2.87Å
373A90.8Very high91.7Very high4 Ų431.5 Ų31.53%0.03318%0.181CC..  trans-141.7174.9179.500000109.5S351 I352 I371 V379 T537 G541S351-A373 WeakPolarHBondContact O-CA 3.24Å; I352-A373 HydrophobicContact CB-CB 4.34Å; I352-A373 HydrophobicContact CD1-CB 4.35Å; I352-A373 HydrophobicContact CG1-CB 4.05Å; I371-A373 HydrophobicContact CG2-CB 4.46Å; A373-V379 HydrophobicContact CB-CG2 4.22Å; A373-T537 HydrophobicContact CB-CG2 3.94Å; A373-G541 PolarHBondContact N-O 3.4Å; A373-G541 CarbonylContact O-C 3.59Å; A373-G541 WeakPolarHBondContact O-CA 3.24Å
374P88Confident91.8Very high20 Ų2032.3 Ų32.313%0.1319%0.185CC..SBendtrans-56.4146176-22.433.1000112.1S377 T537 D567P374-S377 VanDerWaalsContact O-CB 3.25Å; P374-S377 WeakPolarHBondContact O-CB 3.27Å; P374-S377 PolarHBondContact O-N 3.14Å; P374-S377 PolarHBondContact O-OG 3.13Å; P374-T537 PolarHBondContact O-OG1 3.49Å; P374-D567 HydrophobicContact CB-CB 4.48Å; P374-D567 WeakPolarHBondContact CB-OD2 3.37Å; P374-D567 HydrophobicContact CG-CB 4.11Å
375A88.2Confident91.8Very high44 Ų4429.4 Ų29.436%0.36417%0.17SC..THydrogen-bonded Turntrans-56143.8-176.900000112.3S377 E539A375-S377 PolarHBondContact O-N 3.41Å; A375-E539 WeakPolarHBondContact CB-O 3.4Å
376N88.6Confident91.5Very high110 Ų11029.2 Ų29.259%0.58817%0.165SC*.THydrogen-bonded Turntrans55.729178.9-55.4-31000114.2T537 N538N376-T537 WeakPolarHBondContact CA-O 3.47Å; N376-T537 PolarHBondContact N-O 3.3Å; N376-T537 PolarHBondContact N-OG1 2.83Å; N376-N538 PolarHBondContact N-O 2.94Å
377S90.6Very high90.9Very high0 Ų027.3 Ų27.30%016%0.159CC..  trans-87.3143.9172.8-54.20000112.2P374 A375 S536 T537 N564P374-S377 VanDerWaalsContact O-CB 3.25Å; P374-S377 WeakPolarHBondContact O-CB 3.27Å; P374-S377 PolarHBondContact O-N 3.14Å; P374-S377 PolarHBondContact O-OG 3.13Å; A375-S377 PolarHBondContact O-N 3.41Å; S377-S536 WeakPolarHBondContact O-CA 3.33Å; S377-T537 WeakPolarHBondContact CA-OG1 3.2Å; S377-T537 PolarHBondContact N-OG1 2.93Å; S377-T537 PolarHBondContact O-N 3.06Å; S377-T537 PolarHBondContact O-OG1 3.17Å; S377-T537 VanDerWaalsContact O-OG1 3.07Å; S377-N564 WeakPolarHBondContact OG-CB 3.32Å; S377-N564 PolarHBondContact OG-ND2 2.82Å
378F92.7Very high90.1Very high79 Ų7928.6 Ų28.635%0.34617%0.17SC..EExtended strand (participates in β ladder)trans-65.4142.3159.3174-91.2000109.4D534 L535 F561 S562 I563F378-D534 HydrophobicContact CE2-CB 3.72Å; F378-D534 HydrophobicContact CZ-CB 4.05Å; F378-D534 WeakPolarHBondContact CZ-OD1 3.5Å; F378-L535 CarbonylContact C-O 3.48Å; F378-F561 HydrophobicContact CD1-CE2 4.28Å; F378-F561 AromaticContact CE1-CE2 3.87Å; F378-F561 HydrophobicContact CE1-CE2 3.87Å; F378-F561 HydrophobicContact CE1-CZ 4.06Å; F378-S562 CarbonylContact O-C 3.51Å; F378-S562 WeakPolarHBondContact O-CA 3.29Å; F378-S562 VanDerWaalsContact O-CB 3.3Å; F378-S562 WeakPolarHBondContact O-CB 3.36Å; F378-I563 PolarHBondContact N-O 3.39Å; F378-I563 PolarHBondContact O-N 2.88Å
379V91.8Very high89.1Confident0 Ų029.4 Ų29.40%017%0.172CC..EExtended strand (participates in β ladder)trans-134.2122.7177.1172.40000109.3I371 A373 L535 T537 F561I371-V379 HydrophobicContact CB-CG1 4.47Å; I371-V379 HydrophobicContact CG1-CG1 4.35Å; I371-V379 HydrophobicContact CG2-CG1 4Å; I371-V379 HydrophobicContact CG2-CG2 4.4Å; A373-V379 HydrophobicContact CB-CG2 4.22Å; V379-L535 HydrophobicContact CB-CB 4.11Å; V379-L535 HydrophobicContact CG1-CB 4.49Å; V379-L535 PolarHBondContact N-O 2.67Å; V379-L535 PolarHBondContact O-N 2.9Å; V379-T537 HydrophobicContact CG2-CG2 3.79Å; V379-F561 CarbonylContact C-O 3.35Å; V379-F561 VanDerWaalsContact CA-O 3.26Å; V379-F561 WeakPolarHBondContact CA-O 3.36Å
380G92Very high87.9Confident5 Ų535.5 Ų35.55%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-93.9125.5168.600000110.4A560 F561G380-A560 VanDerWaalsContact O-CA 3.25Å; G380-A560 WeakPolarHBondContact O-CA 3.23Å; G380-F561 PolarHBondContact N-O 3.15Å; G380-F561 PolarHBondContact O-N 2.85Å
381L92.1Very high86.5Confident4 Ų440 Ų402%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-113.3123.9177.1176.465.1000110.5L354 F369 I371 V383 I531 A533 L535 H545 A560L354-L381 HydrophobicContact CD1-CD1 4.17Å; L354-L381 HydrophobicContact CD2-CD1 4.45Å; F369-L381 HydrophobicContact CB-CD2 4.06Å; F369-L381 HydrophobicContact CG-CD2 4.2Å; I371-L381 HydrophobicContact CD1-CD2 4.46Å; L381-V383 HydrophobicContact CD1-CG2 4.24Å; L381-V383 HydrophobicContact CG-CG2 4.36Å; L381-I531 HydrophobicContact CD2-CG2 3.97Å; L381-I531 HydrophobicContact CG-CG2 4.07Å; L381-A533 PolarHBondContact N-O 2.82Å; L381-A533 PolarHBondContact O-N 3.49Å; L381-L535 HydrophobicContact CB-CD1 4.19Å; L381-L535 HydrophobicContact CD2-CD1 4.21Å; L381-H545 HydrophobicContact CD2-CB 3.91Å; L381-A560 HydrophobicContact CD1-CB 4.44Å
382L91.7Very high84.9Confident22 Ų2246.6 Ų46.612%0.11525%0.252CS..EExtended strand (participates in β ladder)trans-120.3128177.9175.857.8000110.2V384 T529 I531 W532 A558 N559L382-V384 HydrophobicContact CD1-CG2 3.39Å; L382-V384 HydrophobicContact CD2-CG2 4.16Å; L382-V384 HydrophobicContact CG-CG2 3.71Å; L382-T529 HydrophobicContact CD1-CG2 4.3Å; L382-I531 WeakPolarHBondContact CA-O 3.5Å; L382-W532 HydrophobicContact CD1-CE3 3.47Å; L382-W532 VanDerWaalsContact CD1-CE3 3.47Å; L382-W532 HydrophobicContact CD1-CZ3 3.72Å; L382-W532 HydrophobicContact CD2-CZ3 4.21Å; L382-W532 HydrophobicContact CG-CZ3 4.46Å; L382-A558 WeakPolarHBondContact O-CA 3.47Å; L382-N559 PolarHBondContact N-O 2.89Å; L382-N559 PolarHBondContact O-N 3.03Å
383V92.3Very high83.3Confident1 Ų148.1 Ų48.11%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-132.4115.5173-171.20000110.7F369 L381 W530 I531 W556 V557 A558F369-V383 HydrophobicContact CD1-CG2 4.4Å; F369-V383 HydrophobicContact CE1-CG2 3.8Å; F369-V383 HydrophobicContact CZ-CG2 4.11Å; L381-V383 HydrophobicContact CD1-CG2 4.24Å; L381-V383 HydrophobicContact CG-CG2 4.36Å; V383-W530 HydrophobicContact CB-CE3 4.35Å; V383-W530 HydrophobicContact CG1-CD2 4.47Å; V383-W530 HydrophobicContact CG1-CE3 3.58Å; V383-W530 HydrophobicContact CG1-CZ3 4.14Å; V383-W530 PolarHBondContact O-N 2.97Å; V383-I531 HydrophobicContact CB-CB 3.83Å; V383-I531 HydrophobicContact CB-CD1 4.17Å; V383-I531 HydrophobicContact CB-CG1 4.18Å; V383-I531 HydrophobicContact CG2-CB 3.86Å; V383-I531 HydrophobicContact CG2-CD1 3.8Å; V383-I531 HydrophobicContact CG2-CG1 4.23Å; V383-I531 PolarHBondContact N-O 3.1Å; V383-I531 PolarHBondContact O-N 3.05Å; V383-W556 HydrophobicContact CG1-CB 3.8Å; V383-W556 HydrophobicContact CG1-CE3 4.22Å; V383-V557 WeakPolarHBondContact CA-O 3.3Å; V383-A558 HydrophobicContact CG1-CB 4.36Å; V383-A558 HydrophobicContact CG2-CB 3.7Å
384V90.7Very high81.6Confident16 Ų1651.8 Ų51.810%0.09730%0.299CS..EExtended strand (participates in β ladder)trans-126.3147.6-171.7-174.80000110.3L382 Q386 A388 T529 W556 V557L382-V384 HydrophobicContact CD1-CG2 3.39Å; L382-V384 HydrophobicContact CD2-CG2 4.16Å; L382-V384 HydrophobicContact CG-CG2 3.71Å; V384-Q386 PolarHBondContact O-N 3.28Å; V384-A388 HydrophobicContact CG1-CB 3.79Å; V384-T529 HydrophobicContact CG2-CG2 4.34Å; V384-W556 VanDerWaalsContact C-CE3 3.46Å; V384-V557 PolarHBondContact N-O 3.25Å; V384-V557 PolarHBondContact O-N 3.22Å
385D90Very high80.4Confident12 Ų1255.8 Ų55.86%0.06432%0.319CS..EExtended strand (participates in β ladder)trans-61.5133.4172.2-174.7-10.6000109.8S387 A388 L389 E528 T554 W556D385-S387 PolarHBondContact O-N 3.37Å; D385-S387 VanDerWaalsContact O-N 3.08Å; D385-S387 PolarHBondContact OD1-N 3.48Å; D385-S387 PolarHBondContact OD1-OG 3.29Å; D385-S387 PolarHBondContact OD2-OG 2.86Å; D385-A388 PolarHBondContact O-N 3.44Å; D385-L389 PolarHBondContact O-N 2.96Å; D385-E528 WeakPolarHBondContact CB-O 3.38Å; D385-E528 PolarHBondContact N-O 2.84Å; D385-T554 HydrophobicContact CB-CG2 4.46Å; D385-T554 WeakPolarHBondContact OD1-CB 3.16Å; D385-T554 WeakPolarHBondContact OD1-CG2 3.48Å; D385-T554 PolarHBondContact OD1-OG1 3.31Å; D385-W556 HydrophobicContact CB-CE3 4.28Å; D385-W556 HydrophobicContact CB-CH2 4.19Å; D385-W556 HydrophobicContact CB-CZ3 3.92Å; D385-W556 VanDerWaalsContact N-CZ3 3.35Å
386Q84.9Confident79.4Confident49 Ų4956 Ų5623%0.22931%0.314CS..Hα-helixtrans-52-31.4172.8-175176.1-4.100112.3T8 V384 A388 L389 L390 S555 V557T8-Q386 HydrophobicContact CG2-CB 4.4Å; T8-Q386 HydrophobicContact CG2-CG 4.49Å; T8-Q386 PolarHBondContact O-OE1 3.13Å; V384-Q386 PolarHBondContact O-N 3.28Å; Q386-A388 VanDerWaalsContact C-N 3.31Å; Q386-A388 PolarHBondContact O-N 3.35Å; Q386-L389 PolarHBondContact O-N 3Å; Q386-L390 WeakPolarHBondContact O-CG 3.25Å; Q386-L390 PolarHBondContact O-N 2.71Å; Q386-L390 VanDerWaalsContact O-N 3.17Å; Q386-S555 VanDerWaalsContact CB-O 3.23Å; Q386-S555 WeakPolarHBondContact CB-O 3.22Å; Q386-S555 PolarHBondContact N-O 2.88Å; Q386-V557 HydrophobicContact CB-CG2 4.23Å
387S81.3Confident78.8Confident47 Ų4753.7 Ų53.733%0.32930%0.302SS..Hα-helixtrans-59.4-38.517770.40000113D385 L390D385-S387 PolarHBondContact O-N 3.37Å; D385-S387 VanDerWaalsContact O-N 3.08Å; D385-S387 PolarHBondContact OD1-N 3.48Å; D385-S387 PolarHBondContact OD1-OG 3.29Å; D385-S387 PolarHBondContact OD2-OG 2.86Å; S387-L390 PolarHBondContact O-N 3.02Å
388A78.8Confident78Confident27 Ų2757.3 Ų57.322%0.22332%0.321CS..Hα-helixtrans-72.1-36.7178.400000111.9V384 D385 Q386 L390 L391 K392V384-A388 HydrophobicContact CG1-CB 3.79Å; D385-A388 PolarHBondContact O-N 3.44Å; Q386-A388 VanDerWaalsContact C-N 3.31Å; Q386-A388 PolarHBondContact O-N 3.35Å; A388-L390 VanDerWaalsContact C-N 3.26Å; A388-L390 PolarHBondContact O-N 3.41Å; A388-L391 PolarHBondContact O-N 3.04Å; A388-K392 PolarHBondContact O-N 3.27Å
389L73.1Confident77.1Confident52 Ų5254.9 Ų54.927%0.27232%0.315SS..Hα-helixtrans-65.8-27.3175.3-68.5175.1000113.1D385 Q386 K392 S393 V557D385-L389 PolarHBondContact O-N 2.96Å; Q386-L389 PolarHBondContact O-N 3Å; L389-K392 CarbonylContact O-C 3.49Å; L389-S393 PolarHBondContact O-N 3.17Å; L389-V557 HydrophobicContact CD1-CB 3.58Å; L389-V557 HydrophobicContact CD1-CG1 3.85Å; L389-V557 HydrophobicContact CD1-CG2 3.73Å
390L69.8Low76Confident128 Ų12856.5 Ų56.567%0.6733%0.332SS*.Hα-helixtrans-73.1-26.9175.3-69171.6000112.9T8 Q386 S387 A388T8-L390 HydrophobicContact CG2-CD1 4.15Å; Q386-L390 WeakPolarHBondContact O-CG 3.25Å; Q386-L390 PolarHBondContact O-N 2.71Å; Q386-L390 VanDerWaalsContact O-N 3.17Å; S387-L390 PolarHBondContact O-N 3.02Å; A388-L390 VanDerWaalsContact C-N 3.26Å; A388-L390 PolarHBondContact O-N 3.41Å
391L64.4Low75.1Confident142 Ų14259.8 Ų59.874%0.74335%0.351SS*.Hα-helixtrans-75.4-39.5175.8-67.2170.9000111.4A388A388-L391 PolarHBondContact O-N 3.04Å
392K59.7Low74.2Confident142 Ų14260.3 Ų60.362%0.61735%0.353SS*.  trans-153111.1177.1-167.5178-178.7-175.50111.2A388 L389A388-K392 PolarHBondContact O-N 3.27Å; L389-K392 CarbonylContact O-C 3.49Å
393S57.5Low73.2Confident106 Ų10661 Ų6174%0.74136%0.357SS*.SBendtrans-85.6108.3171.159.60000109.8L389L389-S393 PolarHBondContact O-N 3.17Å
394A55.4Low71.9Confident81 Ų8166.4 Ų66.467%0.66939%0.386SS*.  trans16411.1164.500000114D396A394-D396 PolarHBondContact O-N 2.88Å
395N62.5Low70.8Confident105 Ų10570.3 Ų70.356%0.56140%0.403SS*.SBendtrans-78.615.1-177.4-61.3-19.7000113.4
396D68.6Low69.7Low47 Ų4772 Ų7225%0.25141%0.412SS..SBendtrans-141.1149-166.2-161.5-0.5000111.2A394 N559A394-D396 PolarHBondContact O-N 2.88Å; D396-N559 PolarHBondContact OD1-ND2 2.72Å; D396-N559 WeakPolarHBondContact OD2-CB 3.41Å; D396-N559 VanDerWaalsContact OD2-CG 3.24Å; D396-N559 PolarHBondContact OD2-ND2 2.96Å
397I74.5Confident68.6Low63 Ų6372.5 Ų72.532%0.32342%0.415SS..  trans-88.6126.5-179.6-54.9176.5000108I402 N559 F561 V571I397-I402 HydrophobicContact CG2-CD1 3.72Å; I397-I402 HydrophobicContact CG2-CG1 3.85Å; I397-N559 PolarHBondContact O-ND2 3.42Å; I397-N559 VanDerWaalsContact O-ND2 3.14Å; I397-F561 HydrophobicContact CD1-CD1 4.34Å; I397-F561 HydrophobicContact CD1-CE1 4.41Å; I397-V571 HydrophobicContact CG2-CG2 4Å; I397-V571 VanDerWaalsContact O-CG1 3.25Å; I397-V571 WeakPolarHBondContact O-CG1 3.37Å
398N74.8Confident67.5Low76 Ų7673.1 Ų73.141%0.40642%0.419SS..  trans-133.9165173.765.754000111G400 V401 I402N398-G400 VanDerWaalsContact C-N 3.26Å; N398-G400 PolarHBondContact O-N 3.47Å; N398-G400 PolarHBondContact OD1-N 3.32Å; N398-G400 VanDerWaalsContact OD1-N 3.14Å; N398-V401 PolarHBondContact O-N 2.86Å; N398-V401 VanDerWaalsContact O-N 3.14Å; N398-V401 WeakPolarHBondContact OD1-CG2 3.33Å; N398-V401 PolarHBondContact OD1-N 3.37Å; N398-I402 PolarHBondContact O-N 2.87Å; N398-I402 VanDerWaalsContact O-N 3.12Å
399A72.5Confident66.3Low27 Ų2777.4 Ų77.422%0.22343%0.43CS..Hα-helixtrans-56.1-39.2-177.100000112.9T349 V401 I402 D403T349-A399 HydrophobicContact CG2-CB 3.73Å; A399-V401 PolarHBondContact O-N 3.26Å; A399-I402 PolarHBondContact O-N 2.94Å; A399-D403 WeakPolarHBondContact O-CB 3.31Å; A399-D403 VanDerWaalsContact O-CG 3.25Å; A399-D403 PolarHBondContact O-N 2.97Å
400G70.3Confident65.3Low34 Ų3476.6 Ų76.635%0.35143%0.425SS..Hα-helixtrans-66.8-36.7179.200000113.5N398 N404N398-G400 VanDerWaalsContact C-N 3.26Å; N398-G400 PolarHBondContact O-N 3.47Å; N398-G400 PolarHBondContact OD1-N 3.32Å; N398-G400 VanDerWaalsContact OD1-N 3.14Å; G400-N404 VanDerWaalsContact O-CB 3.25Å; G400-N404 WeakPolarHBondContact O-CB 3.1Å; G400-N404 PolarHBondContact O-N 3.11Å; G400-N404 PolarHBondContact O-ND2 3.44Å
401V72.1Confident64.1Low74 Ų7476.4 Ų76.445%0.44843%0.429SS..Hα-helixtrans-66.2-43.9174.2172.90000110.3N398 A399 E405N398-V401 PolarHBondContact O-N 2.86Å; N398-V401 VanDerWaalsContact O-N 3.14Å; N398-V401 WeakPolarHBondContact OD1-CG2 3.33Å; N398-V401 PolarHBondContact OD1-N 3.37Å; A399-V401 PolarHBondContact O-N 3.26Å; V401-E405 VanDerWaalsContact O-CB 3.25Å; V401-E405 WeakPolarHBondContact O-CB 3.49Å; V401-E405 PolarHBondContact O-N 3.49Å
402I73.8Confident63Low15 Ų1571.7 Ų71.78%0.07741%0.406CS..Hα-helixtrans-63.1-49.1177.3-65.5170000110.8Y348 I397 N398 A399 N404 E405 I406 L569 V571Y348-I402 HydrophobicContact CD1-CG2 4.48Å; Y348-I402 HydrophobicContact CD2-CG2 3.9Å; Y348-I402 HydrophobicContact CE1-CG2 4.38Å; Y348-I402 HydrophobicContact CE2-CG2 3.78Å; Y348-I402 HydrophobicContact CG-CG2 4.27Å; I397-I402 HydrophobicContact CG2-CD1 3.72Å; I397-I402 HydrophobicContact CG2-CG1 3.85Å; N398-I402 PolarHBondContact O-N 2.87Å; N398-I402 VanDerWaalsContact O-N 3.12Å; A399-I402 PolarHBondContact O-N 2.94Å; I402-N404 PolarHBondContact O-N 3.5Å; I402-E405 PolarHBondContact O-N 3.21Å; I402-I406 HydrophobicContact CG2-CD1 3.58Å; I402-I406 HydrophobicContact CG2-CG1 4.26Å; I402-I406 WeakPolarHBondContact O-CB 3.16Å; I402-I406 VanDerWaalsContact O-CG1 3.29Å; I402-I406 WeakPolarHBondContact O-CG1 3.31Å; I402-I406 PolarHBondContact O-N 2.95Å; I402-L569 HydrophobicContact CD1-CD2 3.65Å; I402-L569 HydrophobicContact CD1-CG 4.26Å; I402-L569 HydrophobicContact CG1-CD2 4.26Å; I402-V571 HydrophobicContact CD1-CB 4.46Å; I402-V571 HydrophobicContact CD1-CG2 3.39Å
403D69.4Low61.8Low38 Ų3871.6 Ų71.620%0.20341%0.407CS..Hα-helixtrans-59.9-47.2-179.9-73.8-17000110.8A399 E405 I406 M407A399-D403 WeakPolarHBondContact O-CB 3.31Å; A399-D403 VanDerWaalsContact O-CG 3.25Å; A399-D403 PolarHBondContact O-N 2.97Å; D403-E405 PolarHBondContact O-N 3.45Å; D403-I406 PolarHBondContact O-N 3.44Å; D403-M407 WeakPolarHBondContact O-CB 3.32Å; D403-M407 WeakPolarHBondContact O-CG 3.41Å; D403-M407 PolarHBondContact O-N 3.29Å
404N66.1Low60.8Low113 Ų11373.9 Ų73.960%0.60440%0.404SS*.Hα-helixtrans-63.8-41178-73.7-31.4000112.2G400 I402 S408G400-N404 VanDerWaalsContact O-CB 3.25Å; G400-N404 WeakPolarHBondContact O-CB 3.1Å; G400-N404 PolarHBondContact O-N 3.11Å; G400-N404 PolarHBondContact O-ND2 3.44Å; I402-N404 PolarHBondContact O-N 3.5Å; N404-S408 WeakPolarHBondContact O-CB 3.44Å; N404-S408 PolarHBondContact O-N 2.92Å
405E67.8Low59.7Low99 Ų9973.3 Ų73.346%0.46340%0.396SS..Hα-helixtrans-66.4-47.5179.3-170.663.8-160.700110.6V401 I402 D403 M407 S408 Y409V401-E405 VanDerWaalsContact O-CB 3.25Å; V401-E405 WeakPolarHBondContact O-CB 3.49Å; V401-E405 PolarHBondContact O-N 3.49Å; I402-E405 PolarHBondContact O-N 3.21Å; D403-E405 PolarHBondContact O-N 3.45Å; E405-M407 PolarHBondContact O-N 3.32Å; E405-S408 WeakPolarHBondContact O-CB 3.21Å; E405-S408 PolarHBondContact O-N 2.88Å; E405-S408 VanDerWaalsContact O-N 3.08Å; E405-S408 PolarHBondContact O-OG 3.11Å; E405-Y409 HydrophobicContact CG-CE2 4.09Å; E405-Y409 WeakPolarHBondContact O-CD2 3.34Å; E405-Y409 PolarHBondContact OE1-OH 2.79Å
406I66.1Low58.3Low47 Ų4772.1 Ų72.124%0.24139%0.392CS..Hα-helixtrans-62.1-44.3177-66.7175.1000110.8P319 Y348 I402 D403 S408 Y409P319-I406 HydrophobicContact CG-CB 4.35Å; P319-I406 HydrophobicContact CG-CG2 3.94Å; Y348-I406 HydrophobicContact CE1-CD1 4.45Å; Y348-I406 HydrophobicContact CE2-CD1 4.1Å; Y348-I406 WeakPolarHBondContact OH-CD1 3.41Å; I402-I406 HydrophobicContact CG2-CD1 3.58Å; I402-I406 HydrophobicContact CG2-CG1 4.26Å; I402-I406 WeakPolarHBondContact O-CB 3.16Å; I402-I406 VanDerWaalsContact O-CG1 3.29Å; I402-I406 WeakPolarHBondContact O-CG1 3.31Å; I402-I406 PolarHBondContact O-N 2.95Å; D403-I406 PolarHBondContact O-N 3.44Å; I406-S408 PolarHBondContact O-N 3.11Å; I406-Y409 PolarHBondContact O-N 3.2Å
407M62.3Low56.4Low60 Ų6075.7 Ų75.730%0.29641%0.406SS..Hα-helixtrans-63.7-28.8175.2-75.2-179146.300112.6P319 K320 D403 E405 Y409 E410P319-M407 HydrophobicContact CG-CG 4.36Å; K320-M407 HydrophobicContact CB-CE 4.17Å; K320-M407 HydrophobicContact CD-CE 4.09Å; D403-M407 WeakPolarHBondContact O-CB 3.32Å; D403-M407 WeakPolarHBondContact O-CG 3.41Å; D403-M407 PolarHBondContact O-N 3.29Å; E405-M407 PolarHBondContact O-N 3.32Å; M407-Y409 PolarHBondContact O-N 2.94Å; M407-E410 VanDerWaalsContact O-CB 3.31Å; M407-E410 WeakPolarHBondContact O-CB 3.37Å; M407-E410 PolarHBondContact O-N 2.51Å; M407-E410 VanDerWaalsContact O-N 3.12Å
408S57.6Low54.4Low59 Ų5978 Ų7841%0.41342%0.424SS..Hα-helixtrans-67.6-23.4-179.583.10000113.4N404 E405 I406 E410 V411N404-S408 WeakPolarHBondContact O-CB 3.44Å; N404-S408 PolarHBondContact O-N 2.92Å; E405-S408 WeakPolarHBondContact O-CB 3.21Å; E405-S408 PolarHBondContact O-N 2.88Å; E405-S408 VanDerWaalsContact O-N 3.08Å; E405-S408 PolarHBondContact O-OG 3.11Å; I406-S408 PolarHBondContact O-N 3.11Å; S408-E410 VanDerWaalsContact C-N 3.27Å; S408-E410 PolarHBondContact O-N 3.46Å; S408-V411 VanDerWaalsContact O-CG2 3.3Å; S408-V411 WeakPolarHBondContact O-CG2 3.3Å
409Y54.1Low52.3Low117 Ų11783.5 Ų83.546%0.45944%0.441SS..THydrogen-bonded Turntrans-78.3-8.2174.6-66.9-77.8000113.2V282 E405 I406 M407 V411V282-Y409 VanDerWaalsContact CG2-O 3.31Å; V282-Y409 WeakPolarHBondContact CG2-O 3.39Å; E405-Y409 HydrophobicContact CG-CE2 4.09Å; E405-Y409 WeakPolarHBondContact O-CD2 3.34Å; E405-Y409 PolarHBondContact OE1-OH 2.79Å; I406-Y409 PolarHBondContact O-N 3.2Å; M407-Y409 PolarHBondContact O-N 2.94Å; Y409-V411 PolarHBondContact O-N 3.29Å
410E52.9Low50.3Low36 Ų3687.8 Ų87.817%0.16847%0.467CS..  trans-74.515.5179.3-64.4-170.917900114.6K320 M407 S408 V412K320-E410 WeakPolarHBondContact CD-OE2 3.2Å; K320-E410 IonicContact NZ-OE2 2.89Å; K320-E410 PolarHBondContact NZ-OE2 3.02Å; M407-E410 VanDerWaalsContact O-CB 3.31Å; M407-E410 WeakPolarHBondContact O-CB 3.37Å; M407-E410 PolarHBondContact O-N 2.51Å; M407-E410 VanDerWaalsContact O-N 3.12Å; S408-E410 VanDerWaalsContact C-N 3.27Å; S408-E410 PolarHBondContact O-N 3.46Å; E410-V412 PolarHBondContact O-N 3.09Å
411V43.1Very low48.4Very low124 Ų12495.9 Ų95.975%0.75249%0.487SS*.  trans-59.4105.5-172.4-172.20000111.2S408 Y409S408-V411 VanDerWaalsContact O-CG2 3.3Å; S408-V411 WeakPolarHBondContact O-CG2 3.3Å; Y409-V411 PolarHBondContact O-N 3.29Å
412V41.3Very low46.6Very low43 Ų4397.2 Ų97.226%0.26150%0.497SS..  trans-66.3132.6172.6-173.80000108.7E410 F414 I441E410-V412 PolarHBondContact O-N 3.09Å; V412-F414 PolarHBondContact O-N 2.74Å; V412-I441 HydrophobicContact CG2-CG2 4.15Å
413H35.3Very low44.7Very low139 Ų139103.2 Ų103.264%0.64453%0.528SS*.  trans-57.8105177.4-127-97.5000110.3S415H413-S415 PolarHBondContact O-N 3.38Å
414F35.7Very low42.8Very low154 Ų154107.3 Ų107.368%0.67555%0.547SS*.  trans-77.461.9166.4-102.6-87.7000109.5V412 T416V412-F414 PolarHBondContact O-N 2.74Å; F414-T416 VanDerWaalsContact C-N 3.33Å; F414-T416 PolarHBondContact O-N 2.86Å
415S32.3Very low41.3Very low70 Ų70108.3 Ų108.349%0.4955%0.548SS..THydrogen-bonded Turntrans-91.665.7172.850.70000110.8H413H413-S415 PolarHBondContact O-N 3.38Å
416T32.9Very low39.7Very low80 Ų80113 Ų11349%0.49156%0.562SS.*THydrogen-bonded Turntrans-137.611.2166.3-0.10000114.4F414F414-T416 VanDerWaalsContact C-N 3.33Å; F414-T416 PolarHBondContact O-N 2.86Å
417F29.2Very low38.1Very low122 Ų122117.8 Ų117.854%0.53558%0.577SS.*  trans-116.799.9169.2-75.1-79.1000110.6Y419 F473F417-Y419 PolarHBondContact O-N 2.92Å; F417-Y419 VanDerWaalsContact O-N 3.1Å; F417-F473 HydrophobicContact CE1-CE2 4.32Å; F417-F473 HydrophobicContact CE1-CZ 4.16Å
418P32.7Very low36.6Very low110 Ų110124.3 Ų124.371%0.71460%0.598SS**  trans-70.46.6175-15.830000114.9
419Y30.3Very low35.6Very low192 Ų192131.3 Ų131.375%0.75362%0.621SS**  trans-122.9107.5-178.9-67.9-72.8000111.7F417 R421F417-Y419 PolarHBondContact O-N 2.92Å; F417-Y419 VanDerWaalsContact O-N 3.1Å; Y419-R421 PolarHBondContact O-N 2.88Å
420P30.7Very low34.5Very low118 Ų118136.2 Ų136.277%0.76664%0.639SS**  trans-74.588.7176.330.5-30.4000108.6P422P420-P422 WeakPolarHBondContact O-CD 3.4Å
421R29.8Very low33.4Very low203 Ų203140 Ų14077%0.76666%0.659SS**  trans-78.2121.1165.1-73-161.4-179.7-163.63.4108.9Y419 I423 M424Y419-R421 PolarHBondContact O-N 2.88Å; R421-I423 PolarHBondContact O-N 3Å; R421-M424 PolarHBondContact O-N 3.41Å
422P35.9Very low32.9Very low103 Ų103141 Ų14167%0.66966%0.659SS**Hα-helixtrans-58-19.5-173.8-24.131.8000115.1P420 M424 Q425P420-P422 WeakPolarHBondContact O-CD 3.4Å; P422-M424 VanDerWaalsContact C-N 3.31Å; P422-M424 PolarHBondContact O-N 3.37Å; P422-Q425 PolarHBondContact O-N 3.44Å
423I33Very low32.3Very low140 Ų140141.3 Ų141.372%0.71866%0.663SS**Hα-helixtrans-71-23.9-174.6-60.7174.3000112.5R421R421-I423 PolarHBondContact O-N 3Å
424M29.8Very low32.1Very low125 Ų125143.4 Ų143.462%0.61667%0.67SS**Hα-helixtrans-84.3-25.8178-77.8-78.6-170.600113.5R421 P422 R426 R427R421-M424 PolarHBondContact O-N 3.41Å; P422-M424 VanDerWaalsContact C-N 3.31Å; P422-M424 PolarHBondContact O-N 3.37Å; M424-R426 VanDerWaalsContact C-N 3.34Å; M424-R426 PolarHBondContact O-N 3.33Å; M424-R427 PolarHBondContact O-N 3.26Å
425Q35.3Very low31.9Very low134 Ų134144.9 Ų144.963%0.62668%0.676SS**Hα-helixtrans-63.3-37.9-179.6-94-177.6-5.800112.5P422 R427 R428P422-Q425 PolarHBondContact O-N 3.44Å; Q425-R427 PolarHBondContact O-N 2.84Å; Q425-R428 PolarHBondContact O-N 2.95Å
426R33.2Very low31.7Very low197 Ų197144.3 Ų144.374%0.74367%0.672SS**THydrogen-bonded Turntrans-67.2-14.1175.3-79.1-171.8178.7177.24113.9M424M424-R426 VanDerWaalsContact C-N 3.34Å; M424-R426 PolarHBondContact O-N 3.33Å
427R31.8Very low31.5Very low148 Ų148144 Ų14456%0.55868%0.684SS**THydrogen-bonded Turntrans-100.41.8-178.1-78.3-174.5172.1-179.61.4114.9M424 Q425 K429 R430M424-R427 PolarHBondContact O-N 3.26Å; Q425-R427 PolarHBondContact O-N 2.84Å; R427-K429 PolarHBondContact O-N 3.05Å; R427-R430 PolarHBondContact O-N 2.96Å
428R32.6Very low31.3Very low196 Ų196143.7 Ų143.774%0.7468%0.683SS**G310 helixtrans-49.4-31.9177.2-86.4-173.2172.5-179.5-2.3114.3Q425Q425-R428 PolarHBondContact O-N 2.95Å
429K35.5Very low31.2Very low206 Ų206142.8 Ų142.890%0.89668%0.679SS**G310 helixtrans-81.1-10.7178.6-77.3-169.4174.5-173.30115.7R427R427-K429 PolarHBondContact O-N 3.05Å
430R32.3Very low31.7Very low221 Ų221134.3 Ų134.383%0.83465%0.65SS**G310 helixtrans-110.712.8-179.2-70.4-170.6-176.1-179.72.5113.6R427 I432R427-R430 PolarHBondContact O-N 2.96Å; R430-I432 PolarHBondContact O-N 2.97Å; R430-I432 VanDerWaalsContact O-N 3.09Å
431L29.8Very low32.5Very low114 Ų114132.4 Ų132.460%0.59763%0.632SS**  trans-8546.2179.7-89.3147.4000113
432I32Very low33.4Very low146 Ų146123.9 Ų123.975%0.74960%0.603SS**  trans-96.356.1151.5-49.3176.4000106.3R430 F434R430-I432 PolarHBondContact O-N 2.97Å; R430-I432 VanDerWaalsContact O-N 3.09Å; I432-F434 HydrophobicContact CG2-CD2 4.12Å; I432-F434 PolarHBondContact O-N 3.44Å
433C28.5Very low34.5Very low50 Ų50119.6 Ų119.634%0.33858%0.577SS.*  trans-90.767.6159.3-161.70000107K435 C436C433-K435 PolarHBondContact O-N 3.02Å; C433-C436 HydrophobicContact CB-CB 3.65Å; C433-C436 WeakPolarHBondContact CB-SG 3.4Å; C433-C436 PolarHBondContact O-N 3.47Å; C433-C436 VanDerWaalsContact SG-CA 3.55Å; C433-C436 WeakPolarHBondContact SG-CB 3.34Å; C433-C436 PolarHBondContact SG-N 3.28Å; C433-C436 CovalentContact SG-SG 2.01Å; C433-C436 PolarHBondContact SG-SG 3.36Å
434F31.9Very low36.4Very low183 Ų183114.2 Ų114.280%0.80355%0.552SS**THydrogen-bonded Turntrans-58.6-12.1173.2-123.1-85.3000112I432I432-F434 HydrophobicContact CG2-CD2 4.12Å; I432-F434 PolarHBondContact O-N 3.44Å
435K29.7Very low38.8Very low185 Ų185108.5 Ų108.580%0.80452%0.524SS*.THydrogen-bonded Turntrans-104.9-8.8176.9-101.2-170.8172.2-168.20115.4C433 G437C433-K435 PolarHBondContact O-N 3.02Å; K435-G437 PolarHBondContact O-N 3.4Å; K435-G437 VanDerWaalsContact O-N 3.1Å
436C28.5Very low41.2Very low58 Ų58102.4 Ų102.439%0.39250%0.496SS..SBendtrans-73.2109173.4-70.90000105.5C433 F438C433-C436 HydrophobicContact CB-CB 3.65Å; C433-C436 WeakPolarHBondContact CB-SG 3.4Å; C433-C436 PolarHBondContact O-N 3.47Å; C433-C436 VanDerWaalsContact SG-CA 3.55Å; C433-C436 WeakPolarHBondContact SG-CB 3.34Å; C433-C436 PolarHBondContact SG-N 3.28Å; C433-C436 CovalentContact SG-SG 2.01Å; C433-C436 PolarHBondContact SG-SG 3.36Å; C436-F438 HydrophobicContact CB-CD2 3.85Å; C436-F438 HydrophobicContact CB-CE2 4.17Å; C436-F438 PolarHBondContact O-N 3.33Å
437G28.5Very low43.7Very low72 Ų7296.9 Ų96.974%0.74248%0.476SS*.  trans-63.443.2-178.600000115.3K435 S439K435-G437 PolarHBondContact O-N 3.4Å; K435-G437 VanDerWaalsContact O-N 3.1Å; G437-S439 PolarHBondContact O-N 3.1Å
438F26.3Very low45.9Very low117 Ų11791.5 Ų91.551%0.51346%0.461SS..SBendtrans-61.7122.6152.7-71.8-79.4000106C436 G440C436-F438 HydrophobicContact CB-CD2 3.85Å; C436-F438 HydrophobicContact CB-CE2 4.17Å; C436-F438 PolarHBondContact O-N 3.33Å; F438-G440 PolarHBondContact O-N 2.8Å
439S30.8Very low48.1Very low90 Ų9082.4 Ų82.463%0.62943%0.427SS*.  trans-22.4117.6179.148.70000112.1G437 I441G437-S439 PolarHBondContact O-N 3.1Å; S439-I441 PolarHBondContact O-N 2.86Å
440G39Very low50.3Low15 Ų1573 Ų7316%0.15539%0.386CS..  trans-47143.9-177.500000111D108 F438 T442 G443D108-G440 VanDerWaalsContact OD2-CA 3.31Å; D108-G440 WeakPolarHBondContact OD2-CA 3.49Å; F438-G440 PolarHBondContact O-N 2.8Å; G440-T442 PolarHBondContact O-N 3.38Å; G440-G443 PolarHBondContact O-N 3Å
441I47.7Very low52.3Low77 Ų7766.7 Ų66.740%0.39537%0.366SS..THydrogen-bonded Turntrans-55.1-8.4-167.4-65163.7000113.1D108 V412 S439 S452D108-I441 PolarHBondContact OD2-N 3.38Å; V412-I441 HydrophobicContact CG2-CG2 4.15Å; S439-I441 PolarHBondContact O-N 2.86Å; I441-S452 WeakPolarHBondContact O-CB 3.43Å; I441-S452 PolarHBondContact O-OG 3.11Å
442T49Very low54.2Low25 Ų2561.9 Ų61.915%0.15334%0.342CS..THydrogen-bonded Turntrans-80.7-19.617565.20000114.6H109 G440 I449H109-T442 PolarHBondContact ND1-OG1 2.86Å; G440-T442 PolarHBondContact O-N 3.38Å; T442-I449 VanDerWaalsContact O-CA 3.31Å; T442-I449 WeakPolarHBondContact O-CA 3.16Å; T442-I449 WeakPolarHBondContact O-CG1 3.43Å
443G60Low56.1Low12 Ų1255.3 Ų55.312%0.12431%0.309CS..  trans77.2154.1-172.100000113.3G440G440-G443 PolarHBondContact O-N 3Å
444S71.7Confident58Low27 Ų2756.5 Ų56.519%0.18931%0.312CS..SBendtrans-93-8.2-178.156.50000113.8V236 R237 E466V236-S444 CarbonylContact C-O 3.55Å; V236-S444 WeakPolarHBondContact CA-O 3.37Å; V236-S444 WeakPolarHBondContact CG1-O 3.08Å; R237-S444 PolarHBondContact N-O 3.02Å; S444-E466 PolarHBondContact OG-OE2 3.04Å
445D81.9Confident60Low5 Ų549.7 Ų49.73%0.02728%0.284CS..SBendtrans-135.9157.9-175.568.882000111.7Y447 S448 I449 Y464 E466D445-Y447 PolarHBondContact O-N 3.18Å; D445-Y447 WeakPolarHBondContact OD1-CA 3.26Å; D445-Y447 WeakPolarHBondContact OD1-CB 3.25Å; D445-Y447 PolarHBondContact OD1-N 3.47Å; D445-Y447 VanDerWaalsContact OD1-N 3.09Å; D445-S448 VanDerWaalsContact CG-OG 3.27Å; D445-S448 PolarHBondContact O-N 3.13Å; D445-S448 PolarHBondContact OD1-N 2.82Å; D445-S448 PolarHBondContact OD1-OG 2.82Å; D445-S448 WeakPolarHBondContact OD2-CB 3.44Å; D445-S448 PolarHBondContact OD2-OG 3.02Å; D445-I449 WeakPolarHBondContact O-CG1 3.46Å; D445-I449 PolarHBondContact O-N 2.96Å; D445-I449 VanDerWaalsContact O-N 3.09Å; D445-Y464 HydrophobicContact CB-CD1 4.16Å; D445-Y464 HydrophobicContact CB-CE1 4.36Å; D445-E466 HydrophobicContact CB-CB 4.14Å
446P85.1Confident62.3Low6 Ų647.7 Ų47.74%0.03928%0.28CS..Hα-helixtrans-52.5-45.2-179.5-32.238.9000115.4V337 S448 I449 F450 L463V337-P446 VanDerWaalsContact CG1-CA 3.42Å; V337-P446 HydrophobicContact CG1-CB 3.61Å; V337-P446 HydrophobicContact CG1-CG 4.24Å; P446-S448 PolarHBondContact O-N 3.49Å; P446-I449 PolarHBondContact O-N 2.6Å; P446-F450 VanDerWaalsContact O-CD2 3.22Å; P446-F450 WeakPolarHBondContact O-CD2 3.39Å; P446-F450 PolarHBondContact O-N 2.87Å; P446-L463 HydrophobicContact CB-CD1 3.72Å
447Y84.5Confident64.8Low81 Ų8147.4 Ų47.432%0.31828%0.277SS..Hα-helixtrans-60.3-46.6178.9175-86.5000111.4D445 I449 F450 H451 L463 Y464 R465D445-Y447 PolarHBondContact O-N 3.18Å; D445-Y447 WeakPolarHBondContact OD1-CA 3.26Å; D445-Y447 WeakPolarHBondContact OD1-CB 3.25Å; D445-Y447 PolarHBondContact OD1-N 3.47Å; D445-Y447 VanDerWaalsContact OD1-N 3.09Å; Y447-I449 VanDerWaalsContact C-N 3.29Å; Y447-I449 PolarHBondContact O-N 3.13Å; Y447-F450 PolarHBondContact O-N 3.05Å; Y447-H451 HydrophobicContact CD1-CB 4.48Å; Y447-H451 HydrophobicContact CE1-CB 4.17Å; Y447-H451 WeakPolarHBondContact O-CB 3.26Å; Y447-H451 PolarHBondContact O-N 3.18Å; Y447-L463 HydrophobicContact CD2-CD2 3.9Å; Y447-L463 HydrophobicContact CD2-CG 4.5Å; Y447-Y464 WeakPolarHBondContact CB-O 3.45Å; Y447-Y464 PolarHBondContact N-O 2.98Å; Y447-Y464 VanDerWaalsContact N-O 3.08Å; Y447-R465 HydrophobicContact CD1-CB 4.44Å; Y447-R465 HydrophobicContact CD1-CG 3.96Å; Y447-R465 HydrophobicContact CG-CB 4.15Å; Y447-R465 HydrophobicContact CG-CG 4.18Å
448S79.2Confident67.5Low35 Ų3552.9 Ų52.925%0.24528%0.28CS..Hα-helixtrans-63.2-33.1178.9-65.10000112.6D445 P446 S452D445-S448 VanDerWaalsContact CG-OG 3.27Å; D445-S448 PolarHBondContact O-N 3.13Å; D445-S448 PolarHBondContact OD1-N 2.82Å; D445-S448 PolarHBondContact OD1-OG 2.82Å; D445-S448 WeakPolarHBondContact OD2-CB 3.44Å; D445-S448 PolarHBondContact OD2-OG 3.02Å; P446-S448 PolarHBondContact O-N 3.49Å; S448-S452 WeakPolarHBondContact O-CB 3.31Å; S448-S452 PolarHBondContact O-N 2.83Å; S448-S452 PolarHBondContact O-OG 2.86Å
449I78.5Confident70.2Confident5 Ų550.3 Ų50.33%0.02627%0.274CS..Hα-helixtrans-65.1-45.8174.5-66.6161.2000111L324 V337 A339 T442 D445 P446 Y447 S452 S453L324-I449 HydrophobicContact CD1-CG2 3.97Å; V337-I449 HydrophobicContact CG1-CB 4.02Å; V337-I449 HydrophobicContact CG1-CD1 3.8Å; V337-I449 HydrophobicContact CG1-CG1 4.5Å; V337-I449 HydrophobicContact CG1-CG2 4.15Å; V337-I449 HydrophobicContact CG2-CG2 3.87Å; A339-I449 HydrophobicContact CB-CG2 3.72Å; T442-I449 VanDerWaalsContact O-CA 3.31Å; T442-I449 WeakPolarHBondContact O-CA 3.16Å; T442-I449 WeakPolarHBondContact O-CG1 3.43Å; D445-I449 WeakPolarHBondContact O-CG1 3.46Å; D445-I449 PolarHBondContact O-N 2.96Å; D445-I449 VanDerWaalsContact O-N 3.09Å; P446-I449 PolarHBondContact O-N 2.6Å; Y447-I449 VanDerWaalsContact C-N 3.29Å; Y447-I449 PolarHBondContact O-N 3.13Å; I449-S452 PolarHBondContact O-OG 2.81Å; I449-S452 VanDerWaalsContact O-OG 3.08Å; I449-S453 WeakPolarHBondContact O-CB 3.29Å; I449-S453 PolarHBondContact O-N 3.06Å; I449-S453 PolarHBondContact O-OG 3.24Å
450F82.6Confident72.9Confident10 Ų1054 Ų544%0.04429%0.287CS..Hα-helixtrans-66.3-44.8175.3-75.5-71.6000112.2L324 Y326 I335 V337 P446 Y447 S453 N454 L455 V457 L463L324-F450 HydrophobicContact CD1-CD1 3.9Å; L324-F450 HydrophobicContact CD1-CE1 4.07Å; L324-F450 HydrophobicContact CD2-CD1 4.26Å; L324-F450 HydrophobicContact CD2-CE1 3.59Å; L324-F450 HydrophobicContact CD2-CZ 4.19Å; L324-F450 HydrophobicContact CG-CE1 4.49Å; Y326-F450 HydrophobicContact CD1-CE1 4.28Å; Y326-F450 HydrophobicContact CD1-CZ 4.15Å; Y326-F450 HydrophobicContact CG-CE1 4.5Å; Y326-F450 AromaticContact CG-CZ 3.91Å; Y326-F450 HydrophobicContact CG-CZ 3.91Å; I335-F450 HydrophobicContact CG2-CE2 3.96Å; I335-F450 HydrophobicContact CG2-CZ 4.3Å; V337-F450 HydrophobicContact CB-CE2 3.98Å; V337-F450 HydrophobicContact CB-CZ 4.19Å; V337-F450 HydrophobicContact CG1-CD2 4.4Å; V337-F450 HydrophobicContact CG1-CE2 4Å; V337-F450 HydrophobicContact CG2-CE1 4.34Å; V337-F450 HydrophobicContact CG2-CE2 3.96Å; V337-F450 HydrophobicContact CG2-CZ 3.84Å; P446-F450 VanDerWaalsContact O-CD2 3.22Å; P446-F450 WeakPolarHBondContact O-CD2 3.39Å; P446-F450 PolarHBondContact O-N 2.87Å; Y447-F450 PolarHBondContact O-N 3.05Å; F450-S453 CarbonylContact O-C 3.53Å; F450-S453 WeakPolarHBondContact O-CA 3.46Å; F450-S453 WeakPolarHBondContact O-CB 3.47Å; F450-S453 PolarHBondContact O-N 3.48Å; F450-N454 PolarHBondContact O-N 3.1Å; F450-L455 HydrophobicContact CD1-CB 4.39Å; F450-L455 HydrophobicContact CD1-CD1 4.01Å; F450-L455 PolarHBondContact O-N 3.45Å; F450-L455 VanDerWaalsContact O-N 3.16Å; F450-V457 HydrophobicContact CB-CG2 3.72Å; F450-V457 HydrophobicContact CD1-CG2 3.59Å; F450-V457 HydrophobicContact CD2-CG2 3.93Å; F450-V457 HydrophobicContact CE1-CG2 4.13Å; F450-V457 HydrophobicContact CE2-CG2 4.43Å; F450-V457 HydrophobicContact CG-CG2 3.48Å; F450-V457 VanDerWaalsContact CG-CG2 3.48Å; F450-L463 HydrophobicContact CD2-CD1 3.83Å; F450-L463 HydrophobicContact CE2-CD1 3.88Å
451H74Confident75.2Confident87 Ų8754 Ų5440%0.40329%0.285SS..Hα-helixtrans-64.3-44.5-178.1-167.763.8000112Y447 S453 N454Y447-H451 HydrophobicContact CD1-CB 4.48Å; Y447-H451 HydrophobicContact CE1-CB 4.17Å; Y447-H451 WeakPolarHBondContact O-CB 3.26Å; Y447-H451 PolarHBondContact O-N 3.18Å; H451-S453 PolarHBondContact O-N 3.13Å; H451-S453 VanDerWaalsContact O-N 3.16Å; H451-N454 PolarHBondContact O-N 3.01Å
452S69.9Low77.2Confident13 Ų1355.2 Ų55.29%0.09129%0.288CS..THydrogen-bonded Turntrans-65.8-14173.969.40000113.4R279 R322 I441 S448 I449R279-S452 PolarHBondContact NH2-O 3.12Å; R322-S452 PolarHBondContact NH1-OG 3.2Å; I441-S452 WeakPolarHBondContact O-CB 3.43Å; I441-S452 PolarHBondContact O-OG 3.11Å; S448-S452 WeakPolarHBondContact O-CB 3.31Å; S448-S452 PolarHBondContact O-N 2.83Å; S448-S452 PolarHBondContact O-OG 2.86Å; I449-S452 PolarHBondContact O-OG 2.81Å; I449-S452 VanDerWaalsContact O-OG 3.08Å
453S70.4Confident79.2Confident8 Ų855.8 Ų55.86%0.05629%0.29CS..THydrogen-bonded Turntrans-95.57.7174.7-53.40000113R322 I449 F450 H451 L455R322-S453 WeakPolarHBondContact CD-OG 3.4Å; R322-S453 PolarHBondContact NH1-OG 3.11Å; I449-S453 WeakPolarHBondContact O-CB 3.29Å; I449-S453 PolarHBondContact O-N 3.06Å; I449-S453 PolarHBondContact O-OG 3.24Å; F450-S453 CarbonylContact O-C 3.53Å; F450-S453 WeakPolarHBondContact O-CA 3.46Å; F450-S453 WeakPolarHBondContact O-CB 3.47Å; F450-S453 PolarHBondContact O-N 3.48Å; H451-S453 PolarHBondContact O-N 3.13Å; H451-S453 VanDerWaalsContact O-N 3.16Å; S453-L455 PolarHBondContact O-N 3.34Å
454N69.2Low80.5Confident76 Ų7657.4 Ų57.441%0.40629%0.293SS..THydrogen-bonded Turntrans57.330.4-176.7-63.8-29.5000114.1N281 F450 H451N281-N454 HydrophobicContact CB-CB 4.18Å; N281-N454 PolarHBondContact O-ND2 3.45Å; F450-N454 PolarHBondContact O-N 3.1Å; H451-N454 PolarHBondContact O-N 3.01Å
455L74.2Confident80.9Confident40 Ų4063.1 Ų63.121%0.20931%0.31CS..PPolyproline II helixtrans-100.4137.9174.4-68.8177.8000110.8L275 L277 L324 F450 S453L275-L455 HydrophobicContact CD1-CD1 3.96Å; L277-L455 HydrophobicContact CD1-CD1 3.55Å; L277-L455 HydrophobicContact CD1-CD2 4.46Å; L277-L455 HydrophobicContact CD1-CG 3.92Å; L277-L455 HydrophobicContact CD2-CD1 4.12Å; L277-L455 HydrophobicContact CD2-CD2 3.96Å; L277-L455 HydrophobicContact CD2-CG 4.32Å; L277-L455 HydrophobicContact CG-CD1 4.45Å; L324-L455 HydrophobicContact CD1-CD1 4.48Å; F450-L455 HydrophobicContact CD1-CB 4.39Å; F450-L455 HydrophobicContact CD1-CD1 4.01Å; F450-L455 PolarHBondContact O-N 3.45Å; F450-L455 VanDerWaalsContact O-N 3.16Å; S453-L455 PolarHBondContact O-N 3.34Å
456I78Confident80.5Confident142 Ų14266 Ų6673%0.72832%0.323SS*.PPolyproline II helixtrans-99.7120.4167.8-57.5175000106.7F458I456-F458 HydrophobicContact CB-CE2 4.34Å; I456-F458 HydrophobicContact CG2-CD2 4.18Å; I456-F458 HydrophobicContact CG2-CE2 3.53Å; I456-F458 HydrophobicContact CG2-CZ 3.79Å
457V80.2Confident79.6Confident52 Ų5269.9 Ų69.932%0.31535%0.349SS..PPolyproline II helixtrans-101118.8-177.1-1760000109.3F450 T459 L463F450-V457 HydrophobicContact CB-CG2 3.72Å; F450-V457 HydrophobicContact CD1-CG2 3.59Å; F450-V457 HydrophobicContact CD2-CG2 3.93Å; F450-V457 HydrophobicContact CE1-CG2 4.13Å; F450-V457 HydrophobicContact CE2-CG2 4.43Å; F450-V457 HydrophobicContact CG-CG2 3.48Å; F450-V457 VanDerWaalsContact CG-CG2 3.48Å; V457-T459 HydrophobicContact CG1-CG2 3.84Å; V457-L463 HydrophobicContact CB-CD2 4.15Å; V457-L463 HydrophobicContact CG1-CD2 4.27Å; V457-L463 HydrophobicContact CG2-CD2 4.49Å
458F84.6Confident77.8Confident187 Ų18772.8 Ų72.882%0.8236%0.363SS*.  trans-105.1116.1168.6-64.2-86.1000108.3I456I456-F458 HydrophobicContact CB-CE2 4.34Å; I456-F458 HydrophobicContact CG2-CD2 4.18Å; I456-F458 HydrophobicContact CG2-CE2 3.53Å; I456-F458 HydrophobicContact CG2-CZ 3.79Å
459T84.6Confident76.2Confident64 Ų6475 Ų7539%0.39338%0.375SS..  trans-157.2149.9-174.8-171.60000110.7I335 V457 A461I335-T459 HydrophobicContact CD1-CG2 3.82Å; V457-T459 HydrophobicContact CG1-CG2 3.84Å; T459-A461 WeakPolarHBondContact OG1-CB 3.16Å; T459-A461 PolarHBondContact OG1-N 3.34Å
460D86.3Confident74.2Confident168 Ų16881.3 Ų81.390%0.89841%0.409SS*.SBendtrans-91.3-8.8166.162.8-26.4000112.4
461A88.4Confident72.1Confident14 Ų1483.4 Ų83.412%0.11643%0.433CS..SBendtrans-75.9157.7173.900000111.4I328 K333 I335 T459 L463I328-A461 HydrophobicContact CD1-CB 4.18Å; I328-A461 HydrophobicContact CG2-CB 4.25Å; K333-A461 WeakPolarHBondContact O-CB 3.36Å; I335-A461 HydrophobicContact CD1-CB 4.04Å; I335-A461 HydrophobicContact CG1-CB 3.88Å; T459-A461 WeakPolarHBondContact OG1-CB 3.16Å; T459-A461 PolarHBondContact OG1-N 3.34Å; A461-L463 PolarHBondContact O-N 2.84Å
462F90.1Very high70.3Confident102 Ų10285.9 Ų85.945%0.44744%0.444SS..BIsolated β-bridgetrans-79.2105.8-175.9177.9-121000111.3P239 K333 E334 I335 Y464P239-F462 HydrophobicContact CB-CE1 4.3Å; P239-F462 HydrophobicContact CG-CE1 3.87Å; P239-F462 HydrophobicContact CG-CZ 4.23Å; K333-F462 PolarHBondContact O-N 3.04Å; E334-F462 WeakPolarHBondContact CA-O 3.07Å; E334-F462 HydrophobicContact CB-CD1 4.05Å; E334-F462 HydrophobicContact CG-CD1 4.07Å; I335-F462 PolarHBondContact N-O 3.33Å; F462-Y464 HydrophobicContact CE1-CD2 4.49Å; F462-Y464 HydrophobicContact CZ-CD2 4.08Å
463L89.5Confident68.7Low38 Ų3890.3 Ų90.320%0.19946%0.462CS..  trans-97103.3174.3-177.363.1000110.4I335 P446 Y447 F450 V457 A461I335-L463 HydrophobicContact CB-CD1 4.21Å; I335-L463 HydrophobicContact CD1-CB 4.23Å; I335-L463 HydrophobicContact CD1-CD1 4.28Å; I335-L463 HydrophobicContact CG2-CD1 4.33Å; P446-L463 HydrophobicContact CB-CD1 3.72Å; Y447-L463 HydrophobicContact CD2-CD2 3.9Å; Y447-L463 HydrophobicContact CD2-CG 4.5Å; F450-L463 HydrophobicContact CD2-CD1 3.83Å; F450-L463 HydrophobicContact CE2-CD1 3.88Å; V457-L463 HydrophobicContact CB-CD2 4.15Å; V457-L463 HydrophobicContact CG1-CD2 4.27Å; V457-L463 HydrophobicContact CG2-CD2 4.49Å; A461-L463 PolarHBondContact O-N 2.84Å
464Y87Confident66.9Low45 Ų4595.8 Ų95.818%0.17649%0.491CS..  trans-71.1141-178.3180-110.3000112.8R237 P239 D445 Y447 F462 E466R237-Y464 HydrophobicContact CB-CE1 3.97Å; R237-Y464 WeakPolarHBondContact O-CD1 3.03Å; P239-Y464 HydrophobicContact CG-CD1 4.18Å; P239-Y464 HydrophobicContact CG-CD2 3.18Å; P239-Y464 HydrophobicContact CG-CE1 4.42Å; P239-Y464 HydrophobicContact CG-CE2 3.48Å; P239-Y464 VanDerWaalsContact CG-CE2 3.48Å; P239-Y464 HydrophobicContact CG-CG 3.55Å; D445-Y464 HydrophobicContact CB-CD1 4.16Å; D445-Y464 HydrophobicContact CB-CE1 4.36Å; Y447-Y464 WeakPolarHBondContact CB-O 3.45Å; Y447-Y464 PolarHBondContact N-O 2.98Å; Y447-Y464 VanDerWaalsContact N-O 3.08Å; F462-Y464 HydrophobicContact CE1-CD2 4.49Å; F462-Y464 HydrophobicContact CZ-CD2 4.08Å; Y464-E466 HydrophobicContact CE1-CB 4.15Å
465R81.8Confident65.3Low148 Ų14898.1 Ų98.156%0.55850%0.499SS*.  trans-131.9127.2170.5-177.8-179.1175.5-174.6-1109Y447Y447-R465 HydrophobicContact CD1-CB 4.44Å; Y447-R465 HydrophobicContact CD1-CG 3.96Å; Y447-R465 HydrophobicContact CG-CB 4.15Å; Y447-R465 HydrophobicContact CG-CG 4.18Å
466E73.1Confident63.4Low64 Ų64102.1 Ų102.130%0.29952%0.515SS..  trans-68.4126.4178.6-172.2167.8-147.300110.4R237 S444 D445 Y464 F468R237-E466 WeakPolarHBondContact CD-OE1 3.29Å; R237-E466 VanDerWaalsContact CG-OE1 3.29Å; R237-E466 WeakPolarHBondContact CG-OE1 3.49Å; R237-E466 IonicContact NE-OE1 3.24Å; R237-E466 PolarHBondContact NE-OE1 3.32Å; S444-E466 PolarHBondContact OG-OE2 3.04Å; D445-E466 HydrophobicContact CB-CB 4.14Å; Y464-E466 HydrophobicContact CE1-CB 4.15Å; E466-F468 PolarHBondContact O-N 2.64Å
467P64.7Low61.2Low89 Ų89101.5 Ų101.558%0.57851%0.509SS*.  trans-69.3130.1177.623.8-29.1000110.8T469P467-T469 PolarHBondContact O-N 2.98Å; P467-T469 VanDerWaalsContact O-N 3.15Å
468F48.3Very low59.1Low141 Ų141103.2 Ų103.262%0.61852%0.524SS*.  trans-68.8107.8178-171.7-94.7000110.4E466E466-F468 PolarHBondContact O-N 2.64Å
469T45.1Very low56.7Low82 Ų82103.3 Ų103.350%0.50352%0.519SS..  trans-93.6110.8177.951.20000110.7P467 G471 E472P467-T469 PolarHBondContact O-N 2.98Å; P467-T469 VanDerWaalsContact O-N 3.15Å; T469-G471 PolarHBondContact O-N 2.82Å; T469-E472 PolarHBondContact O-N 3.04Å
470L37.1Very low54.1Low138 Ų138104.2 Ų104.272%0.72352%0.517SS*.THydrogen-bonded Turntrans-54.5-21.8173.6-97.4140.5000113.6E472 F473L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 2.7Å; L470-F473 WeakPolarHBondContact O-CB 3.25Å; L470-F473 PolarHBondContact O-N 3.39Å
471G37.6Very low51.5Low53 Ų53102.8 Ų102.855%0.54651%0.509SS..Hα-helixtrans-66.7-25.3-178.800000115.1T469 F473T469-G471 PolarHBondContact O-N 2.82Å; G471-F473 VanDerWaalsContact C-N 3.27Å; G471-F473 PolarHBondContact O-N 3.09Å
472E36.6Very low48.9Very low139 Ų139107.5 Ų107.565%0.6554%0.538SS*.Hα-helixtrans-72.8-22.3177-72.7-170.3160.100112.4T469 L470 N474 Q475 F476T469-E472 PolarHBondContact O-N 3.04Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 2.7Å; E472-N474 VanDerWaalsContact C-N 3.34Å; E472-N474 PolarHBondContact O-N 3.17Å; E472-Q475 PolarHBondContact O-N 3.28Å; E472-F476 WeakPolarHBondContact O-CB 3.5Å; E472-F476 PolarHBondContact O-N 3.35Å
473F35.1Very low46.1Very low106 Ų106109 Ų10947%0.46555%0.551SS.*Hα-helixtrans-65-36.4177-125.4-87.7000112.5F417 L470 G471 F476 E477F417-F473 HydrophobicContact CE1-CE2 4.32Å; F417-F473 HydrophobicContact CE1-CZ 4.16Å; L470-F473 WeakPolarHBondContact O-CB 3.25Å; L470-F473 PolarHBondContact O-N 3.39Å; G471-F473 VanDerWaalsContact C-N 3.27Å; G471-F473 PolarHBondContact O-N 3.09Å; F473-F476 WeakPolarHBondContact O-CB 3.47Å; F473-F476 PolarHBondContact O-N 2.92Å; F473-E477 PolarHBondContact O-N 3.22Å; F473-E477 VanDerWaalsContact O-N 3.17Å
474N33.8Very low43.1Very low124 Ų124114.8 Ų114.866%0.66357%0.574SS**Hα-helixtrans-75.3-29.6179.9-74.1-7.7000112.7E472 F476E472-N474 VanDerWaalsContact C-N 3.34Å; E472-N474 PolarHBondContact O-N 3.17Å; N474-F476 VanDerWaalsContact C-N 3.33Å
475Q35.2Very low40.3Very low124 Ų124120.6 Ų120.658%0.57961%0.608SS**Hα-helixtrans-77.2-22.7168.9-72-1668.100112.4E472 S478 R479E472-Q475 PolarHBondContact O-N 3.28Å; Q475-S478 PolarHBondContact O-OG 3.49Å; Q475-R479 PolarHBondContact O-N 3.02Å
476F34.6Very low37.7Very low124 Ų124120.4 Ų120.454%0.54461%0.612SS.*Hα-helixtrans-71.2-39.6176.4-143.3-94.1000112.6E472 F473 N474 S478 F480E472-F476 WeakPolarHBondContact O-CB 3.5Å; E472-F476 PolarHBondContact O-N 3.35Å; F473-F476 WeakPolarHBondContact O-CB 3.47Å; F473-F476 PolarHBondContact O-N 2.92Å; N474-F476 VanDerWaalsContact C-N 3.33Å; F476-S478 PolarHBondContact O-N 2.74Å; F476-F480 AromaticContact CD1-CD2 3.99Å; F476-F480 HydrophobicContact CD1-CD2 3.99Å; F476-F480 HydrophobicContact CD1-CE2 4.31Å; F476-F480 AromaticContact CE1-CD2 3.87Å; F476-F480 HydrophobicContact CE1-CD2 3.87Å; F476-F480 AromaticContact CE1-CE2 3.83Å; F476-F480 HydrophobicContact CE1-CE2 3.83Å; F476-F480 HydrophobicContact CE2-CE2 4.23Å; F476-F480 HydrophobicContact CZ-CD2 4.28Å; F476-F480 AromaticContact CZ-CE2 3.79Å; F476-F480 HydrophobicContact CZ-CE2 3.79Å
477E31.2Very low35.6Very low130 Ų130126.5 Ų126.561%0.60764%0.637SS**Hα-helixtrans-64.4-39.4175.8-92-165.3159.300112.7F473 R479 F480 L481F473-E477 PolarHBondContact O-N 3.22Å; F473-E477 VanDerWaalsContact O-N 3.17Å; E477-R479 PolarHBondContact O-N 3.39Å; E477-F480 PolarHBondContact O-N 2.87Å; E477-L481 WeakPolarHBondContact O-CG 3.4Å; E477-L481 PolarHBondContact O-N 3.44Å
478S35.8Very low33.8Very low88 Ų88130.1 Ų130.162%0.61565%0.646SS**Hα-helixtrans-72.9-25.4-176.358.80000114.3Q475 F476Q475-S478 PolarHBondContact O-OG 3.49Å; F476-S478 PolarHBondContact O-N 2.74Å
479R34.5Very low33Very low188 Ų188126.4 Ų126.471%0.70964%0.636SS**Hα-helixtrans-85.1-14.5177.9-70.7-168.2-167.2-1749.1114.7Q475 E477Q475-R479 PolarHBondContact O-N 3.02Å; E477-R479 PolarHBondContact O-N 3.39Å
480F31.2Very low32.3Very low83 Ų83127.1 Ų127.136%0.36464%0.642SS.*Hα-helixtrans-115.5-11.5-169.6-86.7-74.1000115.5F476 E477 P482 L483 F484F476-F480 AromaticContact CD1-CD2 3.99Å; F476-F480 HydrophobicContact CD1-CD2 3.99Å; F476-F480 HydrophobicContact CD1-CE2 4.31Å; F476-F480 AromaticContact CE1-CD2 3.87Å; F476-F480 HydrophobicContact CE1-CD2 3.87Å; F476-F480 AromaticContact CE1-CE2 3.83Å; F476-F480 HydrophobicContact CE1-CE2 3.83Å; F476-F480 HydrophobicContact CE2-CE2 4.23Å; F476-F480 HydrophobicContact CZ-CD2 4.28Å; F476-F480 AromaticContact CZ-CE2 3.79Å; F476-F480 HydrophobicContact CZ-CE2 3.79Å; E477-F480 PolarHBondContact O-N 2.87Å; F480-P482 VanDerWaalsContact C-CD 3.42Å; F480-P482 VanDerWaalsContact C-N 3.34Å; F480-L483 PolarHBondContact O-N 2.91Å; F480-F484 HydrophobicContact CB-CD2 4.03Å; F480-F484 HydrophobicContact CB-CE2 3.66Å; F480-F484 HydrophobicContact CD1-CD2 4.3Å; F480-F484 AromaticContact CD1-CE2 3.43Å; F480-F484 HydrophobicContact CD1-CE2 3.43Å; F480-F484 VanDerWaalsContact CD1-CE2 3.43Å; F480-F484 AromaticContact CD1-CZ 3.95Å; F480-F484 HydrophobicContact CD1-CZ 3.95Å; F480-F484 HydrophobicContact CE1-CE2 4.37Å; F480-F484 HydrophobicContact CE1-CZ 4.49Å; F480-F484 AromaticContact CG-CE2 3.81Å; F480-F484 HydrophobicContact CG-CE2 3.81Å; F480-F484 WeakPolarHBondContact O-CD2 3.41Å
481L31.9Very low31.8Very low139 Ų139129 Ų12973%0.72865%0.652SS**THydrogen-bonded Turntrans-65.6-16.3-178.7-81.3168.1000116.8E477E477-L481 WeakPolarHBondContact O-CG 3.4Å; E477-L481 PolarHBondContact O-N 3.44Å
482P32.6Very low31.4Very low113 Ų113131 Ų13173%0.73466%0.663SS**THydrogen-bonded Turntrans-89.7-5.8173-6.124.6000115.9F480F480-P482 VanDerWaalsContact C-CD 3.42Å; F480-P482 VanDerWaalsContact C-N 3.34Å
483L30.6Very low31Very low134 Ų134129.4 Ų129.470%0.70267%0.674SS**THydrogen-bonded Turntrans-114.7-6.5-171.4-88.4155.9000116.1F480 N485F480-L483 PolarHBondContact O-N 2.91Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 3.28Å
484F27.4Very low30.6Very low159 Ų159131.8 Ų131.870%0.69769%0.69SS**THydrogen-bonded Turntrans-85.216-176.6-80.9-64.2000116.4F480F480-F484 HydrophobicContact CB-CD2 4.03Å; F480-F484 HydrophobicContact CB-CE2 3.66Å; F480-F484 HydrophobicContact CD1-CD2 4.3Å; F480-F484 AromaticContact CD1-CE2 3.43Å; F480-F484 HydrophobicContact CD1-CE2 3.43Å; F480-F484 VanDerWaalsContact CD1-CE2 3.43Å; F480-F484 AromaticContact CD1-CZ 3.95Å; F480-F484 HydrophobicContact CD1-CZ 3.95Å; F480-F484 HydrophobicContact CE1-CE2 4.37Å; F480-F484 HydrophobicContact CE1-CZ 4.49Å; F480-F484 AromaticContact CG-CE2 3.81Å; F480-F484 HydrophobicContact CG-CE2 3.81Å; F480-F484 WeakPolarHBondContact O-CD2 3.41Å
485N28.9Very low30.3Very low166 Ų166130.9 Ų130.989%0.88870%0.7SS**THydrogen-bonded Turntrans-93.414171.5-124.83.6000115L483L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 3.28Å
486K27.2Very low29.9Very low145 Ų145128.3 Ų128.363%0.6371%0.706SS**  trans-129.1101.7171.9-73.9-174.4178179.10111E488K486-E488 PolarHBondContact O-N 3.01Å
487K28.6Very low29.5Very low192 Ų192131.5 Ų131.584%0.83573%0.725SS**PPolyproline II helixtrans-73.7116.6173.1-75.6173.8178.7166.10109.6
488E25.8Very low29.2Very low165 Ų165134.2 Ų134.277%0.77174%0.738SS**PPolyproline II helixtrans-69.5149.4171.3-67.5-176.5152.400112.2K486K486-E488 PolarHBondContact O-N 3.01Å
489P31.3Very low28.6Very low63 Ų63139.7 Ų139.741%0.40975%0.745SS.*PPolyproline II helixtrans-92.6154-178.431.7-24000113.7W25W25-P489 HydrophobicContact CZ2-CB 4.43Å
490P30.9Very low28.1Very low97 Ų97136.9 Ų136.963%0.6375%0.749SS**PPolyproline II helixtrans-80.4141.9-174.1-0.118.8000112.9A492P490-A492 PolarHBondContact O-N 3.3Å
491L26.2Very low27.7Very low178 Ų178141.3 Ų141.393%0.93277%0.771SS**PPolyproline II helixtrans-60.6123.4174.1-79.9100.9000111.8
492A31Very low27.3Very low93 Ų93141.9 Ų141.977%0.76978%0.775SS**PPolyproline II helixtrans-103.6128.616700000109.7P490P490-A492 PolarHBondContact O-N 3.3Å
493A28Very low26.9Very low107 Ų107140 Ų14088%0.88478%0.776SS**PPolyproline II helixtrans-65.3142.8-174.300000113.3
494I27Very low26.6Very low155 Ų155141 Ų14180%0.79579%0.787SS**PPolyproline II helixtrans-83.6120.9-172.6-65.4167.2000110.2G496I494-G496 PolarHBondContact O-N 2.95Å
495A26.7Very low26.4Very low106 Ų106136.6 Ų136.688%0.87679%0.786SS**  trans-81.392.6163.900000109.4
496G27.2Very low26.2Very low69 Ų69132.9 Ų132.971%0.71178%0.779SS**  trans-100.192.1174.900000111.5I494 Q498I494-G496 PolarHBondContact O-N 2.95Å; G496-Q498 PolarHBondContact O-N 3.5Å
497M25.2Very low26Very low191 Ų191136 Ų13694%0.94179%0.793SS**  trans-82.4108.5166.5-120.6176.1-177.300108.5R499M497-R499 PolarHBondContact O-N 2.87Å
498Q24.7Very low25.9Very low187 Ų187130.2 Ų130.287%0.87479%0.788SS**  trans-61.9122.4176.8-119.9162.5-26.800110.2G496 T500G496-Q498 PolarHBondContact O-N 3.5Å; Q498-T500 PolarHBondContact O-N 3.5Å
499R22.9Very low25.8Very low203 Ų203131.5 Ų131.577%0.76680%0.796SS**  trans-69.5107.4166.4-86.6179.2169.9-168.6-8.6108.2M497 Q501M497-R499 PolarHBondContact O-N 2.87Å; R499-Q501 PolarHBondContact O-N 2.87Å
500T24.9Very low25.7Very low129 Ų129134.4 Ų134.479%0.79182%0.815SS**  trans-74.2105.1157.844.80000107.8Q498Q498-T500 PolarHBondContact O-N 3.5Å
501Q23.3Very low25.5Very low176 Ų176133.3 Ų133.382%0.82282%0.821SS**  trans-83.699.3161-81.2-178.5-42.500106.3R499R499-Q501 PolarHBondContact O-N 2.87Å
502D23.7Very low25.5Very low152 Ų152130.8 Ų130.881%0.81382%0.818SS**  trans-133.3112.8163.8-83.8-41.4000110
503G24Very low25.4Very low73 Ų73131 Ų13175%0.75382%0.82SS**  59100.8126.800000117.5G505G503-G505 PolarHBondContact O-N 2.84Å
504V23.2Very low25.4Very low155 Ų155129.1 Ų129.194%0.93981%0.811SS**  trans-56.595.9160.7-173.50000109.3
505G23.6Very low25.4Very low66 Ų66126 Ų12668%0.6882%0.817SS**  trans-108.995.3172.900000110.2G503 F507G503-G505 PolarHBondContact O-N 2.84Å; G505-F507 PolarHBondContact O-N 3.46Å
506A25Very low25.6Very low88 Ų88124.2 Ų124.273%0.72780%0.803SS**  trans-72.3112.1171.500000109.9
507F23.4Very low26Very low211 Ų211128 Ų12893%0.92581%0.812SS**  trans-146.9119.2162.8-87.8-77.3000111.8G505G505-F507 PolarHBondContact O-N 3.46Å
508G25.3Very low27Very low71 Ų71125.4 Ų125.473%0.73280%0.797SS**  trans82.990144.800000117.6P510G508-P510 WeakPolarHBondContact O-CD 3.47Å
509M24Very low28.4Very low191 Ų191120.7 Ų120.794%0.94179%0.79SS**PPolyproline II helixtrans-63.6122.6158.2-71.3-101.7-109.500109.8
510P28.8Very low30.4Very low125 Ų125112.4 Ų112.481%0.81276%0.763SS**PPolyproline II helixtrans-76.6129.8162.8-1.319.6000108.5G508G508-P510 WeakPolarHBondContact O-CD 3.47Å
511G26.7Very low32.7Very low73 Ų73109.8 Ų109.875%0.75374%0.738SS**PPolyproline II helixtrans-58.2144.4-175.900000114.2A513G511-A513 PolarHBondContact O-N 3.27Å
512S27.2Very low35.6Very low126 Ų126104.7 Ų104.788%0.88172%0.716SS**  trans-36.4110.5162.9176.90000112.8
513A29.3Very low38.7Very low97 Ų9797.6 Ų97.680%0.80268%0.678SS**  trans-97.7130164.300000108.5G511G511-A513 PolarHBondContact O-N 3.27Å
514G26.5Very low41.7Very low68 Ų6898 Ų9870%0.70167%0.666SS**  trans-64.1153.7-162.100000115.6A516G514-A516 PolarHBondContact O-N 3.33Å; G514-A516 VanDerWaalsContact O-N 3.13Å
515G27.2Very low44.6Very low89 Ų8996.9 Ų96.992%0.91864%0.644SS**  trans-59.5110-178.700000112.7
516A31.5Very low47.7Very low69 Ų6997.4 Ų97.457%0.5763%0.628SS**  trans-109.4125.6156.300000107G514 H518G514-A516 PolarHBondContact O-N 3.33Å; G514-A516 VanDerWaalsContact O-N 3.13Å; A516-H518 PolarHBondContact O-N 3.33Å
517T34.7Very low50.7Low147 Ų14794.6 Ų94.690%0.90260%0.603SS**  trans-46.1103.7177.645.70000111A519T517-A519 PolarHBondContact O-N 3.34Å; T517-A519 VanDerWaalsContact O-N 3.12Å
518H46.7Very low53.5Low138 Ų13891.7 Ų91.764%0.63959%0.592SS**  trans-67.7110.3-173.5-69.4-67.1000110.7A516A516-H518 PolarHBondContact O-N 3.33Å
519A54.2Low56.6Low87 Ų8791.7 Ų91.772%0.71958%0.578SS**PPolyproline II helixtrans-60.5133.2163.500000108.6T517 R521T517-A519 PolarHBondContact O-N 3.34Å; T517-A519 VanDerWaalsContact O-N 3.12Å; A519-R521 PolarHBondContact O-N 2.9Å; A519-R521 VanDerWaalsContact O-N 3.15Å
520P64.5Low59.7Low30 Ų3083.7 Ų83.720%0.19554%0.537CS..PPolyproline II helixtrans-66.5117.4-175.629.8-37.4000109.3K694 F696 A701 A703P520-K694 HydrophobicContact CG-CD 4.2Å; P520-F696 HydrophobicContact CB-CD1 4.39Å; P520-F696 HydrophobicContact CB-CE1 3.68Å; P520-F696 HydrophobicContact CB-CZ 4.14Å; P520-F696 HydrophobicContact CG-CD1 4.47Å; P520-F696 HydrophobicContact CG-CE1 3.38Å; P520-F696 HydrophobicContact CG-CZ 3.71Å; P520-A701 HydrophobicContact CB-CB 4.08Å; P520-A703 HydrophobicContact CB-CB 4.24Å
521R74.6Confident62.7Low73 Ų7378 Ų7828%0.27550%0.5SS..PPolyproline II helixtrans-72.2127.2176.3179.9178.9164.6179.6-5.1110.4P363 N364 A519 D551 A703P363-R521 VanDerWaalsContact CB-NH2 3.27Å; P363-R521 PolarHBondContact O-NH1 2.85Å; P363-R521 PolarHBondContact O-NH2 3.46Å; N364-R521 PolarHBondContact ND2-NH2 2.88Å; A519-R521 PolarHBondContact O-N 2.9Å; A519-R521 VanDerWaalsContact O-N 3.15Å; R521-D551 IonicContact NH2-OD1 3.52Å; R521-A703 PolarHBondContact O-N 3.41Å; R521-A703 VanDerWaalsContact O-N 3.07Å
522I84.3Confident65.7Low69 Ų6983.8 Ų83.835%0.35450%0.499SS..EExtended strand (participates in β ladder)trans-92.4123.8-177.9-52.4174000109.7V524 L692 A703 E705I522-V524 HydrophobicContact CG2-CG1 4.18Å; I522-L692 HydrophobicContact CD1-CD1 4.17Å; I522-L692 HydrophobicContact CG1-CD1 4.35Å; I522-L692 HydrophobicContact CG2-CD1 3.81Å; I522-A703 WeakPolarHBondContact CA-O 3.2Å; I522-A703 HydrophobicContact CB-CB 4.33Å; I522-A703 HydrophobicContact CG1-CB 3.88Å; I522-E705 HydrophobicContact CG2-CB 4.14Å
523R89.1Confident68.7Low4 Ų478.6 Ų78.62%0.01546%0.464CS..EExtended strand (participates in β ladder)trans-94.4127.1175.3-71.3-168.7-63.9119.45.8110.7F526 D551 I586 D702 A703 I704 E705R523-F526 HydrophobicContact CB-CE1 4.45Å; R523-F526 HydrophobicContact CB-CZ 3.83Å; R523-D551 WeakPolarHBondContact CA-OD2 3.18Å; R523-D551 HydrophobicContact CB-CB 3.72Å; R523-D551 HydrophobicContact CG-CB 3.86Å; R523-D551 PolarHBondContact NH1-O 3.44Å; R523-D551 VanDerWaalsContact NH1-O 3.13Å; R523-I586 PolarHBondContact NH2-O 3.1Å; R523-D702 IonicContact CZ-OD2 3.98Å; R523-D702 IonicContact NE-OD1 2.9Å; R523-D702 PolarHBondContact NE-OD1 2.71Å; R523-D702 IonicContact NE-OD2 2.62Å; R523-D702 PolarHBondContact NE-OD2 3.37Å; R523-D702 IonicContact NH2-OD1 3.89Å; R523-D702 IonicContact NH2-OD2 2.76Å; R523-D702 PolarHBondContact NH2-OD2 3.31Å; R523-A703 WeakPolarHBondContact CB-O 3.33Å; R523-A703 PolarHBondContact N-O 3.08Å; R523-I704 WeakPolarHBondContact O-CA 3.33Å; R523-E705 PolarHBondContact O-N 3.47Å
524V85.8Confident71.7Confident82 Ų8279.3 Ų79.350%0.49745%0.454SS..  trans-133.4-25.9-172.5-790000113.7I522 D551 E705I522-V524 HydrophobicContact CG2-CG1 4.18Å; V524-D551 PolarHBondContact N-OD2 2.81Å; V524-E705 HydrophobicContact CG1-CB 3.82Å; V524-E705 HydrophobicContact CG1-CG 4.39Å
525R85.1Confident74.8Confident130 Ų13077.5 Ų77.549%0.49143%0.428SS..  trans-107103.1-170-169.2-172.3174.9-162.8-0.8111.8P527 D551R525-P527 VanDerWaalsContact O-CD 3.3Å; R525-P527 WeakPolarHBondContact O-CD 3.39Å; R525-D551 PolarHBondContact N-OD2 3.17Å; R525-D551 WeakPolarHBondContact O-CB 3.4Å; R525-D551 PolarHBondContact O-N 3.35Å
526F87Confident77.8Confident77 Ų7777.3 Ų77.334%0.33841%0.413SS..  trans-118.770.8-177.8-55.6-78.7000112.8R523 D551 T552 I704 V706R523-F526 HydrophobicContact CB-CE1 4.45Å; R523-F526 HydrophobicContact CB-CZ 3.83Å; F526-D551 HydrophobicContact CD1-CB 4.43Å; F526-D551 HydrophobicContact CE1-CB 4Å; F526-D551 WeakPolarHBondContact CE1-O 3.27Å; F526-D551 HydrophobicContact CZ-CB 4.27Å; F526-T552 WeakPolarHBondContact CA-OG1 3.08Å; F526-I704 HydrophobicContact CE1-CD1 4.26Å; F526-I704 HydrophobicContact CE2-CD1 4.08Å; F526-I704 HydrophobicContact CE2-CG1 4.04Å; F526-I704 HydrophobicContact CZ-CD1 3.52Å; F526-I704 HydrophobicContact CZ-CG1 3.71Å; F526-V706 HydrophobicContact CD2-CG1 4.45Å; F526-V706 HydrophobicContact CE2-CG1 4.02Å
527P88.3Confident80.7Confident30 Ų3074.2 Ų74.220%0.19539%0.387CS..  trans-75.8158.8179.432.2-30.2000111.4R525 P550 W556R525-P527 VanDerWaalsContact O-CD 3.3Å; R525-P527 WeakPolarHBondContact O-CD 3.39Å; P527-P550 HydrophobicContact CG-CB 3.85Å; P527-P550 HydrophobicContact CG-CG 3.95Å; P527-W556 HydrophobicContact CG-CH2 4Å; P527-W556 VanDerWaalsContact O-CH2 3.3Å; P527-W556 WeakPolarHBondContact O-CH2 3.5Å
528E83.8Confident83.3Confident149 Ų14970.9 Ų70.970%0.69636%0.364SS*.SBendtrans-92.2-39.5171-65.2178.6170.300111.6D385D385-E528 WeakPolarHBondContact CB-O 3.38Å; D385-E528 PolarHBondContact N-O 2.84Å
529T88.8Confident85.2Confident72 Ų7272.3 Ų72.344%0.44237%0.371SS..EExtended strand (participates in β ladder)trans-109.6122.9168.2-59.30000108.5L382 V384L382-T529 HydrophobicContact CD1-CG2 4.3Å; V384-T529 HydrophobicContact CG2-CG2 4.34Å
530W90.2Very high86.8Confident22 Ų2278.5 Ų78.58%0.08338%0.375CS..EExtended strand (participates in β ladder)trans-91.5-46.5-177.7174.125.9000112.1V367 F369 V383 A547 L548 P550 W556 L578V367-W530 HydrophobicContact CB-CH2 4.18Å; V367-W530 HydrophobicContact CG2-CH2 4.3Å; F369-W530 AromaticContact CE2-CH2 3.75Å; F369-W530 HydrophobicContact CE2-CH2 3.75Å; F369-W530 HydrophobicContact CE2-CZ2 4.27Å; F369-W530 HydrophobicContact CE2-CZ3 4.14Å; F369-W530 HydrophobicContact CZ-CE3 4.37Å; F369-W530 AromaticContact CZ-CH2 3.64Å; F369-W530 HydrophobicContact CZ-CH2 3.64Å; F369-W530 HydrophobicContact CZ-CZ2 4.5Å; F369-W530 AromaticContact CZ-CZ3 3.56Å; F369-W530 HydrophobicContact CZ-CZ3 3.56Å; V383-W530 HydrophobicContact CB-CE3 4.35Å; V383-W530 HydrophobicContact CG1-CD2 4.47Å; V383-W530 HydrophobicContact CG1-CE3 3.58Å; V383-W530 HydrophobicContact CG1-CZ3 4.14Å; V383-W530 PolarHBondContact O-N 2.97Å; W530-A547 HydrophobicContact CZ2-CB 3.58Å; W530-L548 VanDerWaalsContact CZ2-O 3.29Å; W530-L548 WeakPolarHBondContact CZ2-O 3.4Å; W530-L548 PolarHBondContact NE1-O 3.43Å; W530-P550 HydrophobicContact CB-CG 4.05Å; W530-P550 HydrophobicContact CD2-CG 3.65Å; W530-P550 HydrophobicContact CE3-CG 4.3Å; W530-P550 HydrophobicContact CG-CG 3.48Å; W530-P550 VanDerWaalsContact CG-CG 3.48Å; W530-W556 HydrophobicContact CB-CD2 4.32Å; W530-W556 HydrophobicContact CB-CE3 3.63Å; W530-W556 HydrophobicContact CB-CH2 3.78Å; W530-W556 HydrophobicContact CB-CZ2 4.44Å; W530-W556 HydrophobicContact CB-CZ3 3.35Å; W530-W556 HydrophobicContact CE3-CB 4.31Å; W530-W556 AromaticContact CE3-CD2 3.92Å; W530-W556 HydrophobicContact CE3-CD2 3.92Å; W530-W556 HydrophobicContact CE3-CE3 4.18Å; W530-W556 AromaticContact CE3-CG 3.97Å; W530-W556 HydrophobicContact CE3-CG 3.97Å; W530-W556 HydrophobicContact CG-CZ3 4.47Å; W530-W556 HydrophobicContact CZ3-CG 4.34Å; W530-L578 HydrophobicContact CH2-CD2 3.7Å; W530-L578 HydrophobicContact CZ3-CD2 3.4Å
531I91.5Very high87.9Confident7 Ų777.1 Ų77.14%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-129.6129.3-176.6-57.3169.4000109.3F369 L381 L382 V383 A533 A547F369-I531 HydrophobicContact CD2-CD1 3.97Å; F369-I531 HydrophobicContact CE2-CD1 3.41Å; F369-I531 VanDerWaalsContact CE2-CD1 3.41Å; F369-I531 HydrophobicContact CZ-CD1 3.72Å; L381-I531 HydrophobicContact CD2-CG2 3.97Å; L381-I531 HydrophobicContact CG-CG2 4.07Å; L382-I531 WeakPolarHBondContact CA-O 3.5Å; V383-I531 HydrophobicContact CB-CB 3.83Å; V383-I531 HydrophobicContact CB-CD1 4.17Å; V383-I531 HydrophobicContact CB-CG1 4.18Å; V383-I531 HydrophobicContact CG2-CB 3.86Å; V383-I531 HydrophobicContact CG2-CD1 3.8Å; V383-I531 HydrophobicContact CG2-CG1 4.23Å; V383-I531 PolarHBondContact N-O 3.1Å; V383-I531 PolarHBondContact O-N 3.05Å; I531-A533 HydrophobicContact CG2-CB 3.74Å; I531-A547 HydrophobicContact CD1-CB 3.94Å
532W90.4Very high88.8Confident193 Ų19377.2 Ų77.273%0.73137%0.373SS*.EExtended strand (participates in β ladder)trans-136.894.7166.3-175.9-83000105.7L382L382-W532 HydrophobicContact CD1-CE3 3.47Å; L382-W532 VanDerWaalsContact CD1-CE3 3.47Å; L382-W532 HydrophobicContact CD1-CZ3 3.72Å; L382-W532 HydrophobicContact CD2-CZ3 4.21Å; L382-W532 HydrophobicContact CG-CZ3 4.46Å
533A90Very high89.2Confident18 Ų1874.3 Ų74.315%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-134.4138.7-167.300000112.5L381 I531L381-A533 PolarHBondContact N-O 2.82Å; L381-A533 PolarHBondContact O-N 3.49Å; I531-A533 HydrophobicContact CG2-CB 3.74Å
534D91Very high89.4Confident112 Ų11278.1 Ų78.160%0.59938%0.383SS*.EExtended strand (participates in β ladder)trans-99.4122.4172-66.7-13.5000108.9F378F378-D534 HydrophobicContact CE2-CB 3.72Å; F378-D534 HydrophobicContact CZ-CB 4.05Å; F378-D534 WeakPolarHBondContact CZ-OD1 3.5Å
535L91.7Very high89.8Confident29 Ų2976.5 Ų76.515%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-122.9160.2-177.5-55.4173.5000109.7I371 F378 V379 L381 A543 H545I371-L535 HydrophobicContact CD1-CD1 3.96Å; F378-L535 CarbonylContact C-O 3.48Å; V379-L535 HydrophobicContact CB-CB 4.11Å; V379-L535 HydrophobicContact CG1-CB 4.49Å; V379-L535 PolarHBondContact N-O 2.67Å; V379-L535 PolarHBondContact O-N 2.9Å; L381-L535 HydrophobicContact CB-CD1 4.19Å; L381-L535 HydrophobicContact CD2-CD1 4.21Å; L535-A543 HydrophobicContact CB-CB 4.4Å; L535-H545 HydrophobicContact CD1-CB 4.02Å; L535-H545 HydrophobicContact CD2-CB 4.38Å
536S91.3Very high90.2Very high86 Ų8675.4 Ų75.460%0.60137%0.37SS*.EExtended strand (participates in β ladder)trans-126.7136.1169.6-173.50000109S377S377-S536 WeakPolarHBondContact O-CA 3.33Å
537T91.3Very high90.5Very high3 Ų372.4 Ų72.42%0.01836%0.36CS..  trans-78.9143.2174.947.90000110.7A373 P374 N376 S377 V379 G541 A543A373-T537 HydrophobicContact CB-CG2 3.94Å; P374-T537 PolarHBondContact O-OG1 3.49Å; N376-T537 WeakPolarHBondContact CA-O 3.47Å; N376-T537 PolarHBondContact N-O 3.3Å; N376-T537 PolarHBondContact N-OG1 2.83Å; S377-T537 WeakPolarHBondContact CA-OG1 3.2Å; S377-T537 PolarHBondContact N-OG1 2.93Å; S377-T537 PolarHBondContact O-N 3.06Å; S377-T537 PolarHBondContact O-OG1 3.17Å; S377-T537 VanDerWaalsContact O-OG1 3.07Å; V379-T537 HydrophobicContact CG2-CG2 3.79Å; T537-G541 VanDerWaalsContact CG2-O 3.27Å; T537-G541 WeakPolarHBondContact CG2-O 3.35Å; T537-A543 HydrophobicContact CG2-CB 3.89Å
538N90.2Very high90.7Very high77 Ų7775.2 Ų75.241%0.41237%0.372SS..  trans-73.1-179.3174.362.920000112.1N376 R540 G541 N542N376-N538 PolarHBondContact N-O 2.94Å; N538-R540 PolarHBondContact O-N 3.46Å; N538-R540 WeakPolarHBondContact OD1-CA 3.29Å; N538-R540 WeakPolarHBondContact OD1-CB 3.19Å; N538-R540 PolarHBondContact OD1-N 2.96Å; N538-G541 PolarHBondContact O-N 2.6Å; N538-G541 PolarHBondContact OD1-N 3.48Å; N538-G541 VanDerWaalsContact OD1-N 3.16Å; N538-N542 VanDerWaalsContact CG-O 3.27Å; N538-N542 PolarHBondContact N-O 3.22Å; N538-N542 VanDerWaalsContact N-O 3.1Å; N538-N542 PolarHBondContact OD1-N 2.87Å; N538-N542 PolarHBondContact OD1-O 3.04Å
539E86Confident91.1Very high169 Ų16968.1 Ų68.179%0.7934%0.339SS*.THydrogen-bonded Turntrans-58-18.7176.8-63.1179.8173.400113.8A375A375-E539 WeakPolarHBondContact CB-O 3.4Å
540R87.4Confident91.3Very high216 Ų21664.7 Ų64.782%0.81532%0.318SS*.THydrogen-bonded Turntrans-93.2-1175.8-61.2-175.1-179-175.40.5113.5N538N538-R540 PolarHBondContact O-N 3.46Å; N538-R540 WeakPolarHBondContact OD1-CA 3.29Å; N538-R540 WeakPolarHBondContact OD1-CB 3.19Å; N538-R540 PolarHBondContact OD1-N 2.96Å
541G88.6Confident91.4Very high2 Ų263.8 Ų63.82%0.02132%0.315CS..SBendtrans845.4-178.100000115.4N372 A373 T537 N538N372-G541 CarbonylContact C-O 3.47Å; N372-G541 WeakPolarHBondContact CA-O 3.37Å; N372-G541 PolarHBondContact OD1-O 2.98Å; A373-G541 PolarHBondContact N-O 3.4Å; A373-G541 CarbonylContact O-C 3.59Å; A373-G541 WeakPolarHBondContact O-CA 3.24Å; T537-G541 VanDerWaalsContact CG2-O 3.27Å; T537-G541 WeakPolarHBondContact CG2-O 3.35Å; N538-G541 PolarHBondContact O-N 2.6Å; N538-G541 PolarHBondContact OD1-N 3.48Å; N538-G541 VanDerWaalsContact OD1-N 3.16Å
542N92.7Very high91.3Very high74 Ų7464.4 Ų64.440%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-97.8137-176.1-69.3-15.7000111.7N372 N538N372-N542 PolarHBondContact OD1-OD1 2.87Å; N538-N542 VanDerWaalsContact CG-O 3.27Å; N538-N542 PolarHBondContact N-O 3.22Å; N538-N542 VanDerWaalsContact N-O 3.1Å; N538-N542 PolarHBondContact OD1-N 2.87Å; N538-N542 PolarHBondContact OD1-O 3.04Å
543A92.9Very high91.3Very high8 Ų855.6 Ų55.67%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-131.6139.916700000109.8I371 L535 T537I371-A543 HydrophobicContact CB-CB 4.41Å; I371-A543 PolarHBondContact N-O 2.92Å; I371-A543 PolarHBondContact O-N 3.21Å; L535-A543 HydrophobicContact CB-CB 4.4Å; T537-A543 HydrophobicContact CG2-CB 3.89Å
544T93.1Very high91.4Very high84 Ų8454.8 Ų54.852%0.51528%0.28SS..EExtended strand (participates in β ladder)trans-129.8135.3-179.951.70000110.3F369F369-T544 VanDerWaalsContact O-CA 3.31Å; F369-T544 WeakPolarHBondContact O-CA 3.43Å
545H93.6Very high91.4Very high49 Ų4949.5 Ų49.523%0.22725%0.251CS..EExtended strand (participates in β ladder)trans-124.3129.1172.8-171.181.6000109.5F369 L381 L535F369-H545 HydrophobicContact CB-CB 4.33Å; F369-H545 PolarHBondContact N-O 3.5Å; F369-H545 PolarHBondContact O-N 3.41Å; L381-H545 HydrophobicContact CD2-CB 3.91Å; L535-H545 HydrophobicContact CD1-CB 4.02Å; L535-H545 HydrophobicContact CD2-CB 4.38Å
546H94.2Very high91.5Very high106 Ų10648.1 Ų48.149%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-108.2128.7179.2-65.9-88.3000109T368T368-H546 VanDerWaalsContact CG2-CE1 3.44Å; T368-H546 WeakPolarHBondContact CG2-CE1 3.49Å; T368-H546 PolarHBondContact OG1-CE1 2.88Å; T368-H546 VanDerWaalsContact OG1-CE1 3.22Å; T368-H546 PolarHBondContact OG1-ND1 3.22Å; T368-H546 VanDerWaalsContact OG1-ND1 3.16Å
547A93.1Very high91.5Very high14 Ų1445.1 Ų45.112%0.11622%0.222CC..EExtended strand (participates in β ladder)trans-148.1142.2178.400000110.9V367 F369 W530 I531V367-A547 PolarHBondContact N-O 3.12Å; V367-A547 PolarHBondContact O-N 2.82Å; V367-A547 VanDerWaalsContact O-N 3.12Å; F369-A547 HydrophobicContact CE2-CB 4.48Å; W530-A547 HydrophobicContact CZ2-CB 3.58Å; I531-A547 HydrophobicContact CD1-CB 3.94Å
548L93Very high91.5Very high89 Ų8945 Ų4547%0.46622%0.221SC..EExtended strand (participates in β ladder)trans-74.1127.4172.4-64.9175.3000110.3D366 W530D366-L548 HydrophobicContact CB-CD2 4.21Å; W530-L548 VanDerWaalsContact CZ2-O 3.29Å; W530-L548 WeakPolarHBondContact CZ2-O 3.4Å; W530-L548 PolarHBondContact NE1-O 3.43Å
549A92.4Very high91.5Very high0 Ų041.6 Ų41.60%020%0.203CC..PPolyproline II helixtrans-55.5132.1176.200000111.1V361 N364 T365 V367 V580V361-A549 HydrophobicContact CG2-CB 3.75Å; N364-A549 WeakPolarHBondContact CA-O 3.22Å; N364-A549 PolarHBondContact N-O 3.45Å; N364-A549 PolarHBondContact OD1-O 3.19Å; T365-A549 PolarHBondContact O-N 2.91Å; V367-A549 HydrophobicContact CG2-CB 4.13Å; A549-V580 HydrophobicContact CB-CG2 4.04Å
550P92.9Very high91.6Very high0 Ų033.6 Ų33.60%017%0.166CC..PPolyproline II helixtrans-66.6169.3-179.7-22.836000113.2P527 W530 T552 W556P527-P550 HydrophobicContact CG-CB 3.85Å; P527-P550 HydrophobicContact CG-CG 3.95Å; W530-P550 HydrophobicContact CB-CG 4.05Å; W530-P550 HydrophobicContact CD2-CG 3.65Å; W530-P550 HydrophobicContact CE3-CG 4.3Å; W530-P550 HydrophobicContact CG-CG 3.48Å; W530-P550 VanDerWaalsContact CG-CG 3.48Å; P550-T552 PolarHBondContact O-N 2.97Å; P550-W556 HydrophobicContact CB-CH2 4.48Å; P550-W556 HydrophobicContact CB-CZ2 3.77Å; P550-W556 HydrophobicContact CG-CH2 4.08Å; P550-W556 HydrophobicContact CG-CZ2 3.55Å
551D91.3Very high91.8Very high3 Ų325.5 Ų25.52%0.01614%0.137CC..SBendtrans-78.8-4.6-179.9-68.7-44.1000114.2R521 R523 V524 R525 F526 I553R521-D551 IonicContact NH2-OD1 3.52Å; R523-D551 WeakPolarHBondContact CA-OD2 3.18Å; R523-D551 HydrophobicContact CB-CB 3.72Å; R523-D551 HydrophobicContact CG-CB 3.86Å; R523-D551 PolarHBondContact NH1-O 3.44Å; R523-D551 VanDerWaalsContact NH1-O 3.13Å; V524-D551 PolarHBondContact N-OD2 2.81Å; R525-D551 PolarHBondContact N-OD2 3.17Å; R525-D551 WeakPolarHBondContact O-CB 3.4Å; R525-D551 PolarHBondContact O-N 3.35Å; F526-D551 HydrophobicContact CD1-CB 4.43Å; F526-D551 HydrophobicContact CE1-CB 4Å; F526-D551 WeakPolarHBondContact CE1-O 3.27Å; F526-D551 HydrophobicContact CZ-CB 4.27Å; D551-I553 PolarHBondContact O-N 3.28Å
552T90.9Very high91.8Very high20 Ų2025.4 Ų25.412%0.12314%0.136CC..  trans-70.6120176.2-47.10000110.7F526 P550 T554 V580F526-T552 WeakPolarHBondContact CA-OG1 3.08Å; P550-T552 PolarHBondContact O-N 2.97Å; T552-T554 HydrophobicContact CG2-CG2 3.66Å; T552-T554 PolarHBondContact O-N 3.05Å; T552-T554 VanDerWaalsContact O-N 3.14Å; T552-V580 WeakPolarHBondContact O-CG1 3.26Å
553I90Very high91.7Very high8 Ų825.6 Ų25.64%0.04114%0.136CC..  trans-78.994.3170.9-56.6-60.5000108.4Y9 P363 D551 V580 F581 R582 F585Y9-I553 HydrophobicContact CD1-CG2 4.02Å; Y9-I553 HydrophobicContact CD2-CG2 4.48Å; Y9-I553 HydrophobicContact CG-CG2 3.96Å; P363-I553 HydrophobicContact CG-CD1 3.8Å; D551-I553 PolarHBondContact O-N 3.28Å; I553-V580 WeakPolarHBondContact CA-O 3.21Å; I553-F581 HydrophobicContact CG2-CD2 3.97Å; I553-R582 HydrophobicContact CD1-CB 4.31Å; I553-R582 HydrophobicContact CD1-CG 4.09Å; I553-F585 HydrophobicContact CG1-CD2 4.22Å; I553-F585 HydrophobicContact CG1-CG 4.3Å; I553-F585 HydrophobicContact CG2-CE1 4.17Å; I553-F585 HydrophobicContact CG2-CE2 4.27Å; I553-F585 HydrophobicContact CG2-CZ 4Å
554T92.1Very high91.4Very high1 Ų126.4 Ų26.41%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-159179.6-175.4-165.50000109.4T8 D385 T552 W556 V580T8-T554 WeakPolarHBondContact CB-OG1 3.37Å; T8-T554 PolarHBondContact OG1-OG1 2.79Å; D385-T554 HydrophobicContact CB-CG2 4.46Å; D385-T554 WeakPolarHBondContact OD1-CB 3.16Å; D385-T554 WeakPolarHBondContact OD1-CG2 3.48Å; D385-T554 PolarHBondContact OD1-OG1 3.31Å; T552-T554 HydrophobicContact CG2-CG2 3.66Å; T552-T554 PolarHBondContact O-N 3.05Å; T552-T554 VanDerWaalsContact O-N 3.14Å; T554-W556 HydrophobicContact CG2-CD2 4.36Å; T554-W556 HydrophobicContact CG2-CZ2 4.13Å; T554-V580 PolarHBondContact N-O 3.5Å; T554-V580 PolarHBondContact O-N 3.29Å
555S91.5Very high90.6Very high1 Ų132.2 Ų32.21%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-101.6137.5162.5-52.90000110.8T8 Q386 K577 L578T8-S555 WeakPolarHBondContact O-CB 3.42Å; T8-S555 PolarHBondContact O-N 3.06Å; T8-S555 PolarHBondContact O-OG 3.43Å; Q386-S555 VanDerWaalsContact CB-O 3.23Å; Q386-S555 WeakPolarHBondContact CB-O 3.22Å; Q386-S555 PolarHBondContact N-O 2.88Å; S555-K577 WeakPolarHBondContact OG-CE 3.5Å; S555-K577 PolarHBondContact OG-NZ 3.32Å; S555-L578 CarbonylContact C-O 3.43Å; S555-L578 VanDerWaalsContact CA-O 3.29Å; S555-L578 WeakPolarHBondContact CA-O 3.31Å
556W92.7Very high89.9Confident0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-100.6132.9174.3-63.388.4000109.1V383 V384 D385 P527 W530 P550 T554 K577 L578V383-W556 HydrophobicContact CG1-CB 3.8Å; V383-W556 HydrophobicContact CG1-CE3 4.22Å; V384-W556 VanDerWaalsContact C-CE3 3.46Å; D385-W556 HydrophobicContact CB-CE3 4.28Å; D385-W556 HydrophobicContact CB-CH2 4.19Å; D385-W556 HydrophobicContact CB-CZ3 3.92Å; D385-W556 VanDerWaalsContact N-CZ3 3.35Å; P527-W556 HydrophobicContact CG-CH2 4Å; P527-W556 VanDerWaalsContact O-CH2 3.3Å; P527-W556 WeakPolarHBondContact O-CH2 3.5Å; W530-W556 HydrophobicContact CB-CD2 4.32Å; W530-W556 HydrophobicContact CB-CE3 3.63Å; W530-W556 HydrophobicContact CB-CH2 3.78Å; W530-W556 HydrophobicContact CB-CZ2 4.44Å; W530-W556 HydrophobicContact CB-CZ3 3.35Å; W530-W556 HydrophobicContact CE3-CB 4.31Å; W530-W556 AromaticContact CE3-CD2 3.92Å; W530-W556 HydrophobicContact CE3-CD2 3.92Å; W530-W556 HydrophobicContact CE3-CE3 4.18Å; W530-W556 AromaticContact CE3-CG 3.97Å; W530-W556 HydrophobicContact CE3-CG 3.97Å; W530-W556 HydrophobicContact CG-CZ3 4.47Å; W530-W556 HydrophobicContact CZ3-CG 4.34Å; P550-W556 HydrophobicContact CB-CH2 4.48Å; P550-W556 HydrophobicContact CB-CZ2 3.77Å; P550-W556 HydrophobicContact CG-CH2 4.08Å; P550-W556 HydrophobicContact CG-CZ2 3.55Å; T554-W556 HydrophobicContact CG2-CD2 4.36Å; T554-W556 HydrophobicContact CG2-CZ2 4.13Å; W556-K577 WeakPolarHBondContact O-CA 3.42Å; W556-L578 HydrophobicContact CB-CB 4.27Å; W556-L578 PolarHBondContact N-O 2.92Å; W556-L578 PolarHBondContact O-N 3.1Å
557V91.2Very high89Confident23 Ų2332.8 Ų32.814%0.13918%0.182CC..EExtended strand (participates in β ladder)trans-105.8123.2177.6-177.90000107.7V383 V384 Q386 L389 T575V383-V557 WeakPolarHBondContact CA-O 3.3Å; V384-V557 PolarHBondContact N-O 3.25Å; V384-V557 PolarHBondContact O-N 3.22Å; Q386-V557 HydrophobicContact CB-CG2 4.23Å; L389-V557 HydrophobicContact CD1-CB 3.58Å; L389-V557 HydrophobicContact CD1-CG1 3.85Å; L389-V557 HydrophobicContact CD1-CG2 3.73Å; V557-T575 HydrophobicContact CG1-CG2 4.18Å
558A91.5Very high88.4Confident0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-108.9137.2-17900000110.5L354 I356 F369 L382 V383 T575 E576L354-A558 HydrophobicContact CD2-CB 3.77Å; I356-A558 HydrophobicContact CD1-CB 3.84Å; F369-A558 HydrophobicContact CD1-CB 4.45Å; F369-A558 HydrophobicContact CE1-CB 4.1Å; L382-A558 WeakPolarHBondContact O-CA 3.47Å; V383-A558 HydrophobicContact CG1-CB 4.36Å; V383-A558 HydrophobicContact CG2-CB 3.7Å; A558-T575 WeakPolarHBondContact O-CA 3.33Å; A558-E576 PolarHBondContact N-O 3.03Å; A558-E576 PolarHBondContact O-N 3.24Å
559N89.7Confident88Confident6 Ų631.9 Ų31.93%0.03218%0.182CC..EExtended strand (participates in β ladder)trans-137.2157.1170.5-161.621.5000110.9L382 D396 I397 T575L382-N559 PolarHBondContact N-O 2.89Å; L382-N559 PolarHBondContact O-N 3.03Å; D396-N559 PolarHBondContact OD1-ND2 2.72Å; D396-N559 WeakPolarHBondContact OD2-CB 3.41Å; D396-N559 VanDerWaalsContact OD2-CG 3.24Å; D396-N559 PolarHBondContact OD2-ND2 2.96Å; I397-N559 PolarHBondContact O-ND2 3.42Å; I397-N559 VanDerWaalsContact O-ND2 3.14Å; N559-T575 HydrophobicContact CB-CG2 4.13Å
560A89.7Confident87.6Confident1 Ų133 Ų331%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-145147.8178.600000112I352 L354 G380 L381 A572I352-A560 HydrophobicContact CD1-CB 4.07Å; L354-A560 HydrophobicContact CD2-CB 4.37Å; G380-A560 VanDerWaalsContact O-CA 3.25Å; G380-A560 WeakPolarHBondContact O-CA 3.23Å; L381-A560 HydrophobicContact CD1-CB 4.44Å; A560-A572 WeakPolarHBondContact O-CB 3.42Å; A560-A572 PolarHBondContact O-N 3.45Å
561F90.2Very high87.3Confident46 Ų4633 Ų3320%0.20219%0.187CC..EExtended strand (participates in β ladder)trans-130.9157168.170.6-90.4000109.8F378 V379 G380 I397 I563 L569 K570 V571F378-F561 HydrophobicContact CD1-CE2 4.28Å; F378-F561 AromaticContact CE1-CE2 3.87Å; F378-F561 HydrophobicContact CE1-CE2 3.87Å; F378-F561 HydrophobicContact CE1-CZ 4.06Å; V379-F561 CarbonylContact C-O 3.35Å; V379-F561 VanDerWaalsContact CA-O 3.26Å; V379-F561 WeakPolarHBondContact CA-O 3.36Å; G380-F561 PolarHBondContact N-O 3.15Å; G380-F561 PolarHBondContact O-N 2.85Å; I397-F561 HydrophobicContact CD1-CD1 4.34Å; I397-F561 HydrophobicContact CD1-CE1 4.41Å; F561-I563 HydrophobicContact CD2-CD1 4.2Å; F561-I563 HydrophobicContact CD2-CG1 4.06Å; F561-I563 HydrophobicContact CE2-CD1 3.81Å; F561-I563 HydrophobicContact CE2-CG1 4.12Å; F561-L569 HydrophobicContact CB-CD1 4.28Å; F561-L569 HydrophobicContact CD2-CD1 3.82Å; F561-L569 HydrophobicContact CG-CD1 4.4Å; F561-K570 CarbonylContact C-O 3.51Å; F561-K570 VanDerWaalsContact CA-O 3.26Å; F561-K570 WeakPolarHBondContact CA-O 3.28Å; F561-K570 WeakPolarHBondContact CB-O 3.27Å; F561-V571 HydrophobicContact CB-CG2 4.06Å
562S90.2Very high86.8Confident1 Ų133.2 Ų33.21%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-129.1151.5175.169.60000112.4F378 L569 K570F378-S562 CarbonylContact O-C 3.51Å; F378-S562 WeakPolarHBondContact O-CA 3.29Å; F378-S562 VanDerWaalsContact O-CB 3.3Å; F378-S562 WeakPolarHBondContact O-CB 3.36Å; S562-L569 CarbonylContact O-C 3.53Å; S562-L569 WeakPolarHBondContact O-CA 3.5Å; S562-K570 PolarHBondContact N-O 3.41Å; S562-K570 PolarHBondContact O-N 3Å
563I89.5Confident85.9Confident78 Ų7835.8 Ų35.840%0.421%0.206SC..EExtended strand (participates in β ladder)trans-136.4129.4176.4-54.5176000109.1F378 F561 G568 L569F378-I563 PolarHBondContact N-O 3.39Å; F378-I563 PolarHBondContact O-N 2.88Å; F561-I563 HydrophobicContact CD2-CD1 4.2Å; F561-I563 HydrophobicContact CD2-CG1 4.06Å; F561-I563 HydrophobicContact CE2-CD1 3.81Å; F561-I563 HydrophobicContact CE2-CG1 4.12Å; I563-G568 WeakPolarHBondContact CA-O 3.46Å; I563-L569 HydrophobicContact CD1-CD1 4.14Å; I563-L569 HydrophobicContact CG1-CD1 3.7Å
564N86Confident85.2Confident25 Ų2541.1 Ų41.113%0.13424%0.235CC..EExtended strand (participates in β ladder)trans-141.8170.2163.472.6-6.8000110.4S377 D567 G568S377-N564 WeakPolarHBondContact OG-CB 3.32Å; S377-N564 PolarHBondContact OG-ND2 2.82Å; N564-D567 PolarHBondContact ND2-OD2 3.32Å; N564-D567 VanDerWaalsContact OD1-CA 3.24Å; N564-D567 WeakPolarHBondContact OD1-CA 3.3Å; N564-D567 WeakPolarHBondContact OD1-CB 3.41Å; N564-D567 PolarHBondContact OD1-N 3.06Å; N564-G568 PolarHBondContact N-O 3.34Å; N564-G568 WeakPolarHBondContact O-CA 3.47Å; N564-G568 PolarHBondContact O-N 2.97Å; N564-G568 PolarHBondContact OD1-N 3.35Å; N564-G568 VanDerWaalsContact OD1-N 3.13Å
565E77.6Confident84.7Confident205 Ų20544.7 Ų44.796%0.95826%0.257SS*.THydrogen-bonded Turntrans-71.3-31.8179.9-64.1-173.3163.100113.1
566A77.5Confident84.5Confident93 Ų9347.9 Ų47.977%0.76927%0.272SS*.THydrogen-bonded Turntrans-79.3-45.6-174.300000113.4
567D76.9Confident84.4Confident74 Ų7452.6 Ų52.640%0.39629%0.292SS..THydrogen-bonded Turntrans-102.6-18.6-176.1-57.7-82.6000113.3P374 N564 K570P374-D567 HydrophobicContact CB-CB 4.48Å; P374-D567 WeakPolarHBondContact CB-OD2 3.37Å; P374-D567 HydrophobicContact CG-CB 4.11Å; N564-D567 PolarHBondContact ND2-OD2 3.32Å; N564-D567 VanDerWaalsContact OD1-CA 3.24Å; N564-D567 WeakPolarHBondContact OD1-CA 3.3Å; N564-D567 WeakPolarHBondContact OD1-CB 3.41Å; N564-D567 PolarHBondContact OD1-N 3.06Å; D567-K570 WeakPolarHBondContact O-CE 3.43Å; D567-K570 PolarHBondContact O-NZ 2.94Å
568G79.2Confident84.5Confident28 Ų2851.5 Ų51.529%0.28929%0.285SS..EExtended strand (participates in β ladder)trans76.6-149.8-177.300000113.1I563 N564I563-G568 WeakPolarHBondContact CA-O 3.46Å; N564-G568 PolarHBondContact N-O 3.34Å; N564-G568 WeakPolarHBondContact O-CA 3.47Å; N564-G568 PolarHBondContact O-N 2.97Å; N564-G568 PolarHBondContact OD1-N 3.35Å; N564-G568 VanDerWaalsContact OD1-N 3.13Å
569L84.7Confident84.5Confident57 Ų5753.3 Ų53.330%0.29829%0.294SS..EExtended strand (participates in β ladder)trans-76.5131.3176.8177.465.6000111.2Y348 I402 F561 S562 I563 V571Y348-L569 WeakPolarHBondContact CD1-O 3.4Å; I402-L569 HydrophobicContact CD1-CD2 3.65Å; I402-L569 HydrophobicContact CD1-CG 4.26Å; I402-L569 HydrophobicContact CG1-CD2 4.26Å; F561-L569 HydrophobicContact CB-CD1 4.28Å; F561-L569 HydrophobicContact CD2-CD1 3.82Å; F561-L569 HydrophobicContact CG-CD1 4.4Å; S562-L569 CarbonylContact O-C 3.53Å; S562-L569 WeakPolarHBondContact O-CA 3.5Å; I563-L569 HydrophobicContact CD1-CD1 4.14Å; I563-L569 HydrophobicContact CG1-CD1 3.7Å; L569-V571 HydrophobicContact CD1-CG2 4.46Å; L569-V571 HydrophobicContact CG-CG2 4.44Å
570K84.2Confident84.7Confident23 Ų2353 Ų5310%0.129%0.292CS..EExtended strand (participates in β ladder)trans-131.5147.6171.7-53.7-68.5171.8-176.70110A347 Y348 I352 F561 S562 D567A347-K570 PolarHBondContact O-NZ 3.47Å; Y348-K570 WeakPolarHBondContact O-CA 3.18Å; I352-K570 HydrophobicContact CG2-CB 4.26Å; F561-K570 CarbonylContact C-O 3.51Å; F561-K570 VanDerWaalsContact CA-O 3.26Å; F561-K570 WeakPolarHBondContact CA-O 3.28Å; F561-K570 WeakPolarHBondContact CB-O 3.27Å; S562-K570 PolarHBondContact N-O 3.41Å; S562-K570 PolarHBondContact O-N 3Å; D567-K570 WeakPolarHBondContact O-CE 3.43Å; D567-K570 PolarHBondContact O-NZ 2.94Å
571V85.9Confident84.8Confident0 Ų054.7 Ų54.70%030%0.299CS..EExtended strand (participates in β ladder)trans-134.3141.6-176-175.10000110.6Y348 I352 I397 I402 F561 L569Y348-V571 PolarHBondContact O-N 2.96Å; I352-V571 WeakPolarHBondContact CG2-O 3.41Å; I397-V571 HydrophobicContact CG2-CG2 4Å; I397-V571 VanDerWaalsContact O-CG1 3.25Å; I397-V571 WeakPolarHBondContact O-CG1 3.37Å; I402-V571 HydrophobicContact CD1-CB 4.46Å; I402-V571 HydrophobicContact CD1-CG2 3.39Å; F561-V571 HydrophobicContact CB-CG2 4.06Å; L569-V571 HydrophobicContact CD1-CG2 4.46Å; L569-V571 HydrophobicContact CG-CG2 4.44Å
572A81.4Confident84.6Confident8 Ų853.8 Ų53.87%0.06630%0.295CS..  trans-60.3130.5176.700000110.5I352 A560 N574I352-A572 HydrophobicContact CG2-CB 4.35Å; I352-A572 VanDerWaalsContact CG2-N 3.25Å; A560-A572 WeakPolarHBondContact O-CB 3.42Å; A560-A572 PolarHBondContact O-N 3.45Å; A572-N574 VanDerWaalsContact C-N 3.29Å; A572-N574 PolarHBondContact O-N 3.44Å
573P72Confident84.6Confident74 Ų7456.3 Ų56.348%0.48131%0.311SS..SBendtrans-68.4-30.9-176.324.3-32.2000112.5T349T349-P573 HydrophobicContact CG2-CB 4.4Å
574N74.6Confident84.7Confident119 Ų11953 Ų5364%0.63629%0.294SS*.SBendtrans-129.1145.2-178.6-62.5-39.6000109.7A572A572-N574 VanDerWaalsContact C-N 3.29Å; A572-N574 PolarHBondContact O-N 3.44Å
575T81.5Confident85Confident76 Ų7651.8 Ų51.847%0.46629%0.287SS..  trans-80.2140.1169.452.90000110.2V557 A558 N559V557-T575 HydrophobicContact CG1-CG2 4.18Å; A558-T575 WeakPolarHBondContact O-CA 3.33Å; N559-T575 HydrophobicContact CB-CG2 4.13Å
576E87.8Confident85.6Confident69 Ų6942 Ų4232%0.32224%0.242SC..EExtended strand (participates in β ladder)trans-94149.4175.9-75-65.1146.500110.2L354 I356 A558L354-E576 HydrophobicContact CB-CG 4.32Å; L354-E576 HydrophobicContact CD2-CB 4.21Å; L354-E576 HydrophobicContact CD2-CG 4.34Å; L354-E576 HydrophobicContact CG-CB 4.32Å; L354-E576 HydrophobicContact CG-CG 4.05Å; L354-E576 VanDerWaalsContact O-CG 3.29Å; L354-E576 WeakPolarHBondContact O-CG 3.3Å; I356-E576 HydrophobicContact CD1-CB 3.58Å; I356-E576 HydrophobicContact CG1-CB 3.8Å; A558-E576 PolarHBondContact N-O 3.03Å; A558-E576 PolarHBondContact O-N 3.24Å
577K89.9Confident86.2Confident98 Ų9842.6 Ų42.643%0.42622%0.224SC..EExtended strand (participates in β ladder)trans-125.8121.4-174.5-169.7174.5178.7176.20111.2S555 W556S555-K577 WeakPolarHBondContact OG-CE 3.5Å; S555-K577 PolarHBondContact OG-NZ 3.32Å; W556-K577 WeakPolarHBondContact O-CA 3.42Å
578L93.3Very high86.9Confident1 Ų140.5 Ų40.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-99.8123.9170.7176.674.1000109.6I356 P358 S359 V361 V367 W530 S555 W556 V580I356-L578 HydrophobicContact CD1-CB 4.13Å; I356-L578 HydrophobicContact CG2-CB 4.32Å; I356-L578 HydrophobicContact CG2-CD1 4.01Å; P358-L578 WeakPolarHBondContact O-CD1 3.44Å; S359-L578 WeakPolarHBondContact O-CA 3.31Å; V361-L578 HydrophobicContact CG1-CD1 4.28Å; V361-L578 HydrophobicContact CG2-CD1 3.86Å; V361-L578 HydrophobicContact CG2-CD2 4.26Å; V361-L578 HydrophobicContact CG2-CG 4.31Å; V367-L578 HydrophobicContact CG1-CD1 4.15Å; V367-L578 HydrophobicContact CG1-CD2 4.21Å; V367-L578 HydrophobicContact CG2-CD1 4.28Å; V367-L578 HydrophobicContact CG2-CD2 4.04Å; W530-L578 HydrophobicContact CH2-CD2 3.7Å; W530-L578 HydrophobicContact CZ3-CD2 3.4Å; S555-L578 CarbonylContact C-O 3.43Å; S555-L578 VanDerWaalsContact CA-O 3.29Å; S555-L578 WeakPolarHBondContact CA-O 3.31Å; W556-L578 HydrophobicContact CB-CB 4.27Å; W556-L578 PolarHBondContact N-O 2.92Å; W556-L578 PolarHBondContact O-N 3.1Å; L578-V580 HydrophobicContact CD2-CG2 3.89Å; L578-V580 HydrophobicContact CG-CG2 4.15Å
579E92.9Very high87.4Confident38 Ų3840.4 Ų40.418%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-94.8113.7173-168.7-177.9156.900109.7S359 R360 V361 F581S359-E579 PolarHBondContact O-N 2.94Å; R360-E579 WeakPolarHBondContact CA-O 3.17Å; R360-E579 HydrophobicContact CG-CB 4.05Å; R360-E579 IonicContact CZ-OE2 3.87Å; R360-E579 IonicContact NE-OE2 3.28Å; R360-E579 PolarHBondContact NE-OE2 3.35Å; R360-E579 IonicContact NH2-OE2 2.91Å; R360-E579 PolarHBondContact NH2-OE2 2.94Å; V361-E579 PolarHBondContact N-O 3.3Å; E579-F581 HydrophobicContact CG-CB 4.25Å
580V92.7Very high87.6Confident0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-98.7108172.6179.50000108.2V361 P363 A549 T552 I553 T554 L578V361-V580 HydrophobicContact CG2-CG2 3.95Å; V361-V580 WeakPolarHBondContact O-CA 3.49Å; P363-V580 HydrophobicContact CB-CG1 4.44Å; P363-V580 HydrophobicContact CG-CG1 3.72Å; A549-V580 HydrophobicContact CB-CG2 4.04Å; T552-V580 WeakPolarHBondContact O-CG1 3.26Å; I553-V580 WeakPolarHBondContact CA-O 3.21Å; T554-V580 PolarHBondContact N-O 3.5Å; T554-V580 PolarHBondContact O-N 3.29Å; L578-V580 HydrophobicContact CD2-CG2 3.89Å; L578-V580 HydrophobicContact CG-CG2 4.15Å
581F91.9Very high88Confident35 Ų3538.4 Ų38.415%0.15420%0.196CC..  trans-142.9150.4-170.8-175.1-105.9000112.6Y9 K11 V361 I553 E579 F585 Y609Y9-F581 AromaticContact CD2-CD2 3.72Å; Y9-F581 HydrophobicContact CD2-CD2 3.72Å; Y9-F581 AromaticContact CD2-CE2 3.57Å; Y9-F581 HydrophobicContact CD2-CE2 3.57Å; Y9-F581 HydrophobicContact CE2-CD2 4.47Å; Y9-F581 AromaticContact CE2-CE2 3.91Å; Y9-F581 HydrophobicContact CE2-CE2 3.91Å; Y9-F581 HydrophobicContact CG-CD2 4.25Å; Y9-F581 HydrophobicContact CG-CE2 4.49Å; K11-F581 HydrophobicContact CG-CE2 4.21Å; K11-F581 HydrophobicContact CG-CZ 4.4Å; V361-F581 PolarHBondContact O-N 3.41Å; I553-F581 HydrophobicContact CG2-CD2 3.97Å; E579-F581 HydrophobicContact CG-CB 4.25Å; F581-F585 AromaticContact CE2-CE1 3.9Å; F581-F585 HydrophobicContact CE2-CE1 3.9Å; F581-Y609 AromaticContact CE2-CD2 3.98Å; F581-Y609 HydrophobicContact CE2-CD2 3.98Å; F581-Y609 HydrophobicContact CE2-CE2 4.15Å; F581-Y609 AromaticContact CZ-CD2 3.56Å; F581-Y609 HydrophobicContact CZ-CD2 3.56Å; F581-Y609 HydrophobicContact CZ-CE2 4.17Å; F581-Y609 AromaticContact CZ-CG 3.92Å; F581-Y609 HydrophobicContact CZ-CG 3.92Å
582R87.3Confident88.3Confident27 Ų2741.8 Ų41.810%0.10221%0.209CC..  trans-133.6141.9169.5-66.6-178.573.5-157.5-10.4108.4E362 P363 I553 F584 F585 A701 D702E362-R582 HydrophobicContact CB-CG 4.37Å; E362-R582 HydrophobicContact CG-CG 4.2Å; E362-R582 IonicContact OE2-NE 3.36Å; P363-R582 HydrophobicContact CG-CG 4.39Å; I553-R582 HydrophobicContact CD1-CB 4.31Å; I553-R582 HydrophobicContact CD1-CG 4.09Å; R582-F584 VanDerWaalsContact C-N 3.3Å; R582-F584 PolarHBondContact O-N 2.97Å; R582-F585 WeakPolarHBondContact O-CD1 3.41Å; R582-F585 WeakPolarHBondContact O-CE1 3.46Å; R582-A701 PolarHBondContact NH2-O 2.86Å; R582-D702 IonicContact CZ-OD1 3.01Å; R582-D702 IonicContact NH1-OD1 3.86Å; R582-D702 PolarHBondContact NH1-OD1 2.72Å
583P89.2Confident89Confident55 Ų5542.2 Ų42.236%0.35721%0.211SC..SBendtrans-70.7-27-178.427.7-34.3000112.9Y609 M610P583-Y609 WeakPolarHBondContact O-CA 3.43Å; P583-Y609 WeakPolarHBondContact O-CB 3.43Å; P583-Y609 PolarHBondContact O-N 3Å; P583-M610 HydrophobicContact CB-CG 4.04Å
584F91.1Very high90.1Very high7 Ų738.7 Ų38.73%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-127.8122.7175.7178.5-96.1000109.7R582 I606 F607 M610 V616 A695 A700 D702R582-F584 VanDerWaalsContact C-N 3.3Å; R582-F584 PolarHBondContact O-N 2.97Å; F584-I606 HydrophobicContact CE2-CG2 3.86Å; F584-I606 HydrophobicContact CZ-CG2 4.19Å; F584-F607 WeakPolarHBondContact CA-O 3.49Å; F584-M610 HydrophobicContact CB-SD 4.16Å; F584-V616 HydrophobicContact CE2-CG1 4.37Å; F584-V616 HydrophobicContact CE2-CG2 3.65Å; F584-V616 HydrophobicContact CZ-CG1 3.82Å; F584-V616 HydrophobicContact CZ-CG2 3.9Å; F584-A695 HydrophobicContact CE1-CB 4.34Å; F584-A695 HydrophobicContact CZ-CB 4.26Å; F584-A700 HydrophobicContact CB-CB 3.9Å; F584-A700 HydrophobicContact CD1-CB 3.7Å; F584-A700 HydrophobicContact CD2-CB 4.41Å; F584-A700 HydrophobicContact CE1-CB 4.34Å; F584-A700 HydrophobicContact CG-CB 3.74Å; F584-D702 HydrophobicContact CD1-CB 4.39Å; F584-D702 HydrophobicContact CE1-CB 4.4Å
585F92.4Very high91Very high0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans-159.4164.1179.465-84.9000112.4Y9 I553 F581 R582 R587 F607 Y609 D702Y9-F585 HydrophobicContact CE1-CZ 4.37Å; Y9-F585 HydrophobicContact CE2-CZ 4.2Å; Y9-F585 AromaticContact CZ-CZ 3.94Å; I553-F585 HydrophobicContact CG1-CD2 4.22Å; I553-F585 HydrophobicContact CG1-CG 4.3Å; I553-F585 HydrophobicContact CG2-CE1 4.17Å; I553-F585 HydrophobicContact CG2-CE2 4.27Å; I553-F585 HydrophobicContact CG2-CZ 4Å; F581-F585 AromaticContact CE2-CE1 3.9Å; F581-F585 HydrophobicContact CE2-CE1 3.9Å; R582-F585 WeakPolarHBondContact O-CD1 3.41Å; R582-F585 WeakPolarHBondContact O-CE1 3.46Å; F585-R587 HydrophobicContact CD2-CG 4.06Å; F585-R587 HydrophobicContact CE2-CG 3.97Å; F585-F607 HydrophobicContact CD1-CB 4.14Å; F585-F607 HydrophobicContact CD2-CB 4.44Å; F585-F607 AromaticContact CD2-CD2 3.89Å; F585-F607 HydrophobicContact CD2-CD2 3.89Å; F585-F607 HydrophobicContact CD2-CG 4.47Å; F585-F607 HydrophobicContact CE1-CB 3.76Å; F585-F607 HydrophobicContact CE1-CG 4.23Å; F585-F607 HydrophobicContact CE2-CB 4.06Å; F585-F607 AromaticContact CE2-CD2 3.34Å; F585-F607 HydrophobicContact CE2-CD2 3.34Å; F585-F607 AromaticContact CE2-CE2 3.93Å; F585-F607 HydrophobicContact CE2-CE2 3.93Å; F585-F607 AromaticContact CE2-CG 3.78Å; F585-F607 HydrophobicContact CE2-CG 3.78Å; F585-F607 HydrophobicContact CG-CB 4.47Å; F585-F607 HydrophobicContact CZ-CB 3.72Å; F585-F607 HydrophobicContact CZ-CD1 4.32Å; F585-F607 AromaticContact CZ-CD2 3.74Å; F585-F607 HydrophobicContact CZ-CD2 3.74Å; F585-F607 HydrophobicContact CZ-CE2 4.47Å; F585-F607 AromaticContact CZ-CG 3.66Å; F585-F607 HydrophobicContact CZ-CG 3.66Å; F585-F607 PolarHBondContact N-O 2.95Å; F585-F607 PolarHBondContact O-N 2.83Å; F585-Y609 AromaticContact CE1-CD2 3.94Å; F585-Y609 HydrophobicContact CE1-CD2 3.94Å; F585-Y609 AromaticContact CE1-CE2 3.74Å; F585-Y609 HydrophobicContact CE1-CE2 3.74Å; F585-Y609 HydrophobicContact CZ-CE2 4.03Å; F585-D702 WeakPolarHBondContact CA-OD2 3.45Å; F585-D702 WeakPolarHBondContact CB-OD2 3.24Å
586I91.4Very high91.6Very high0 Ų031.4 Ų31.40%014%0.144CC..EExtended strand (participates in β ladder)trans-114.9154.2175.557.7172.9000112.8R523 I604 L605 I606 V693 A695 D702 I704R523-I586 PolarHBondContact NH2-O 3.1Å; I586-I604 HydrophobicContact CB-CG2 4.44Å; I586-L605 CarbonylContact C-O 3.59Å; I586-L605 WeakPolarHBondContact CA-O 3.42Å; I586-I606 HydrophobicContact CG2-CB 4.43Å; I586-I606 HydrophobicContact CG2-CG1 3.99Å; I586-I606 HydrophobicContact CG2-CG2 4.35Å; I586-V693 HydrophobicContact CD1-CB 4.04Å; I586-V693 HydrophobicContact CD1-CG1 3.65Å; I586-A695 HydrophobicContact CD1-CB 4.27Å; I586-A695 HydrophobicContact CG2-CB 3.51Å; I586-D702 HydrophobicContact CG1-CB 4.37Å; I586-D702 WeakPolarHBondContact CG1-OD2 3.23Å; I586-D702 PolarHBondContact N-OD2 3.32Å; I586-I704 HydrophobicContact CD1-CB 4.46Å; I586-I704 HydrophobicContact CD1-CG2 3.59Å; I586-I704 HydrophobicContact CG1-CB 4.45Å; I586-I704 HydrophobicContact CG1-CG2 3.86Å
587R90.8Very high91.7Very high106 Ų10629.2 Ų29.240%0.414%0.139SC..EExtended strand (participates in β ladder)trans-136.4149.2169.9-65-176.974.4-173.46.3109.5F585 L605 F607F585-R587 HydrophobicContact CD2-CG 4.06Å; F585-R587 HydrophobicContact CE2-CG 3.97Å; R587-L605 HydrophobicContact CB-CB 4.38Å; R587-L605 PolarHBondContact N-O 3.2Å; R587-L605 PolarHBondContact O-N 3.49Å; R587-F607 HydrophobicContact CB-CE2 4.35Å; R587-F607 HydrophobicContact CG-CE2 4.19Å
588L90.1Very high91.8Very high29 Ų2924.5 Ų24.515%0.15212%0.119CC..EExtended strand (participates in β ladder)trans-104.4134174.2-83.269.3000108.9L590 L602 I604 L691 V693 I704 V706L588-L590 HydrophobicContact CB-CD1 4.16Å; L588-L590 HydrophobicContact CB-CG 4.11Å; L588-L590 HydrophobicContact CD2-CD1 4.19Å; L588-L602 HydrophobicContact CD2-CD1 4.04Å; L588-L602 HydrophobicContact CD2-CD2 4.35Å; L588-L602 HydrophobicContact CG-CD1 4.42Å; L588-I604 HydrophobicContact CG-CG1 4.29Å; L588-L691 HydrophobicContact CD2-CB 4.39Å; L588-L691 HydrophobicContact CD2-CD1 4.43Å; L588-V693 HydrophobicContact CD1-CB 4.23Å; L588-V693 HydrophobicContact CD1-CG2 4.05Å; L588-V693 HydrophobicContact CD2-CG2 3.86Å; L588-V693 HydrophobicContact CG-CG2 4.38Å; L588-I704 HydrophobicContact CD1-CG2 3.29Å; L588-V706 HydrophobicContact CB-CG2 4.28Å; L588-V706 HydrophobicContact CD2-CG2 3.5Å; L588-V706 HydrophobicContact CG-CG2 4.36Å
589H89.3Confident91.7Very high26 Ų2625.2 Ų25.212%0.1212%0.122CC..EExtended strand (participates in β ladder)trans-101.495.9172.3-167.246.1000108.5Q84 Q603 Y1200Q84-H589 PolarHBondContact NE2-CE1 2.94Å; H589-Q603 HydrophobicContact CB-CB 4.17Å; H589-Q603 HydrophobicContact CB-CG 4.46Å; H589-Q603 PolarHBondContact CD2-OE1 3.34Å; H589-Q603 PolarHBondContact N-O 3.5Å; H589-Y1200 AromaticContact CD2-CD1 3.83Å; H589-Y1200 AromaticContact CD2-CE1 3.84Å; H589-Y1200 AromaticContact CE1-CD1 3.92Å; H589-Y1200 AromaticContact CE1-CE1 3.16Å; H589-Y1200 WeakPolarHBondContact CE1-CE1 3.3Å; H589-Y1200 AromaticContact CE1-CZ 3.81Å; H589-Y1200 AromaticContact ND1-CE1 3.66Å; H589-Y1200 AromaticContact NE2-CD1 3.59Å; H589-Y1200 AromaticContact NE2-CE1 3.31Å; H589-Y1200 VanDerWaalsContact NE2-CE1 3.31Å; H589-Y1200 WeakPolarHBondContact NE2-CE1 3.35Å
590L90.8Very high91.6Very high29 Ų2923.6 Ų23.615%0.15212%0.115CC..  trans-115.5142.2-172.1-73.9171.3000111.4L588 L602 L691 V706 L708 Y1200L588-L590 HydrophobicContact CB-CD1 4.16Å; L588-L590 HydrophobicContact CB-CG 4.11Å; L588-L590 HydrophobicContact CD2-CD1 4.19Å; L590-L602 HydrophobicContact CD2-CD1 3.23Å; L590-L602 HydrophobicContact CG-CD1 4.13Å; L590-L691 HydrophobicContact CD1-CD1 4.18Å; L590-L691 HydrophobicContact CD2-CD1 4.02Å; L590-V706 HydrophobicContact CD1-CB 4.39Å; L590-V706 HydrophobicContact CD1-CG2 3.63Å; L590-L708 HydrophobicContact CD2-CD1 4.33Å; L590-Y1200 VanDerWaalsContact C-CD1 3.47Å; L590-Y1200 WeakPolarHBondContact O-CE1 3.35Å
591P92.3Very high91.4Very high9 Ų923.8 Ų23.86%0.05812%0.116CC..  trans-66.2160.8167.730.9-35.8000111.1S593 V594 Y1200P591-S593 PolarHBondContact O-N 3.23Å; P591-V594 HydrophobicContact CG-CG1 3.6Å; P591-Y1200 HydrophobicContact CB-CD1 4.31Å; P591-Y1200 HydrophobicContact CB-CD2 3.72Å; P591-Y1200 HydrophobicContact CB-CE2 4.25Å; P591-Y1200 HydrophobicContact CB-CG 3.76Å; P591-Y1200 HydrophobicContact CG-CG 4.44Å
592Y92.5Very high91.3Very high72 Ų7222.2 Ų22.228%0.28211%0.109SC..SBendtrans-55.8-49.4175.3176.7-93.9000112.2K1173 Q1174Y592-K1173 HydrophobicContact CD1-CB 3.73Å; Y592-K1173 HydrophobicContact CD1-CD 4.27Å; Y592-K1173 HydrophobicContact CD1-CG 4.29Å; Y592-K1173 HydrophobicContact CD2-CB 4.37Å; Y592-K1173 HydrophobicContact CE1-CB 3.55Å; Y592-K1173 HydrophobicContact CE1-CD 3.67Å; Y592-K1173 HydrophobicContact CE1-CG 3.62Å; Y592-K1173 HydrophobicContact CE2-CB 4.19Å; Y592-K1173 HydrophobicContact CG-CB 4.15Å; Y592-Q1174 HydrophobicContact CD2-CB 4.24Å; Y592-Q1174 HydrophobicContact CD2-CG 3.82Å
593S95.3Very high91.4Very high16 Ų1621.9 Ų21.911%0.11211%0.109CC..EExtended strand (participates in β ladder)trans-149.5165.2174.5640000111.5P591 I709P591-S593 PolarHBondContact O-N 3.23Å; S593-I709 VanDerWaalsContact CA-O 3.28Å; S593-I709 WeakPolarHBondContact CA-O 3.49Å
594V95Very high91.5Very high0 Ų019.2 Ų19.20%09%0.092CC..EExtended strand (participates in β ladder)trans-138.1165.3174.4-67.70000109.7P591 I600 P683 L708 I709 V710 E711P591-V594 HydrophobicContact CG-CG1 3.6Å; V594-I600 HydrophobicContact CB-CD1 4.12Å; V594-I600 HydrophobicContact CG1-CD1 3.57Å; V594-I600 HydrophobicContact CG1-CG1 3.97Å; V594-I600 HydrophobicContact CG2-CD1 3.89Å; V594-P683 HydrophobicContact CG2-CG 4.03Å; V594-L708 HydrophobicContact CG2-CD1 3.99Å; V594-L708 HydrophobicContact CG2-CD2 4.22Å; V594-L708 HydrophobicContact CG2-CG 4.17Å; V594-I709 PolarHBondContact N-O 3.31Å; V594-V710 HydrophobicContact CG2-CG2 4.05Å; V594-V710 CarbonylContact O-C 3.56Å; V594-V710 WeakPolarHBondContact O-CA 3.24Å; V594-E711 PolarHBondContact O-N 2.59Å
595K94.2Very high91.4Very high6 Ų619.4 Ų19.43%0.0269%0.093CC..EExtended strand (participates in β ladder)trans-100.8151175.1-71.4168175.2161.70111.8G597 E598 E711 K1206 P1207K595-G597 PolarHBondContact O-N 3.41Å; K595-E598 HydrophobicContact CB-CG 4.13Å; K595-E598 PolarHBondContact N-OE2 3.25Å; K595-E598 WeakPolarHBondContact O-CB 3.42Å; K595-E598 WeakPolarHBondContact O-CG 3.49Å; K595-E598 PolarHBondContact O-N 3.07Å; K595-E711 VanDerWaalsContact CA-O 3.29Å; K595-E711 WeakPolarHBondContact CA-O 3.1Å; K595-E711 HydrophobicContact CG-CB 4.47Å; K595-K1206 HydrophobicContact CB-CB 4.07Å; K595-K1206 HydrophobicContact CB-CG 3.83Å; K595-K1206 HydrophobicContact CD-CB 3.64Å; K595-K1206 HydrophobicContact CD-CG 4.34Å; K595-K1206 HydrophobicContact CG-CB 4.48Å; K595-P1207 PolarHBondContact NZ-O 2.97Å
596R93.3Very high91.3Very high37 Ų3719.4 Ų19.414%0.149%0.093CC..THydrogen-bonded Turntrans-52.3133.5176.1-177.4-174.361.5160.23.4111.1E598 T684 V686 V710 E711 E713 E747 D748 K1206R596-E598 VanDerWaalsContact C-N 3.29Å; R596-E598 PolarHBondContact O-N 3.21Å; R596-T684 WeakPolarHBondContact CD-O 3.37Å; R596-V686 HydrophobicContact CB-CG2 4.04Å; R596-V686 HydrophobicContact CG-CG2 4.48Å; R596-V710 HydrophobicContact CB-CG1 4.32Å; R596-E711 PolarHBondContact N-O 3.4Å; R596-E713 IonicContact CZ-OE1 3.13Å; R596-E713 IonicContact NE-OE1 3.6Å; R596-E713 IonicContact NE-OE2 2.75Å; R596-E713 IonicContact NH2-OE1 2.65Å; R596-E713 PolarHBondContact NH2-OE1 2.79Å; R596-E713 IonicContact NH2-OE2 3.95Å; R596-E747 PolarHBondContact NH1-O 3.42Å; R596-E747 VanDerWaalsContact NH1-O 3.08Å; R596-E747 PolarHBondContact NH2-O 3.35Å; R596-D748 IonicContact NH1-OD2 3.79Å; R596-D748 PolarHBondContact NH1-OD2 3.15Å; R596-K1206 WeakPolarHBondContact O-CE 3.49Å
597G89.6Confident91.3Very high22 Ų2219.4 Ų19.423%0.2279%0.093CC..THydrogen-bonded Turntrans81.3-5.1176.300000115.8K595 P683K595-G597 PolarHBondContact O-N 3.41Å; G597-P683 PolarHBondContact N-O 2.88Å
598E93Very high91.3Very high0 Ų014.4 Ų14.40%07%0.074CC..  trans-67.1159.9167.1-62.5-177.8151.100110.7K595 R596 R682 P683 S1148 V1202 Q1205 K1206K595-E598 HydrophobicContact CB-CG 4.13Å; K595-E598 PolarHBondContact N-OE2 3.25Å; K595-E598 WeakPolarHBondContact O-CB 3.42Å; K595-E598 WeakPolarHBondContact O-CG 3.49Å; K595-E598 PolarHBondContact O-N 3.07Å; R596-E598 VanDerWaalsContact C-N 3.29Å; R596-E598 PolarHBondContact O-N 3.21Å; E598-R682 WeakPolarHBondContact O-CA 2.97Å; E598-R682 WeakPolarHBondContact O-CG 3.38Å; E598-P683 WeakPolarHBondContact O-CD 3.46Å; E598-S1148 VanDerWaalsContact CD-OG 3.25Å; E598-S1148 PolarHBondContact OE1-OG 2.87Å; E598-S1148 VanDerWaalsContact OE1-OG 3.11Å; E598-S1148 WeakPolarHBondContact OE2-CB 3.22Å; E598-S1148 PolarHBondContact OE2-OG 2.51Å; E598-V1202 HydrophobicContact CB-CG1 4.1Å; E598-Q1205 WeakPolarHBondContact OE1-CA 3.43Å; E598-K1206 HydrophobicContact CG-CG 3.79Å; E598-K1206 PolarHBondContact OE1-N 3.24Å
599M91Very high91.2Very high16 Ų1615 Ų158%0.0798%0.075CC..EExtended strand (participates in β ladder)trans-110.9134.7174-64.4-177.6-65.900109.8V631 I681 R682 V1202 S1203 D1204 I1234M599-V631 HydrophobicContact CB-CG2 4.36Å; M599-V631 HydrophobicContact CG-CG2 3.91Å; M599-V631 HydrophobicContact SD-CB 4.42Å; M599-V631 HydrophobicContact SD-CG1 3.65Å; M599-V631 HydrophobicContact SD-CG2 3.83Å; M599-I681 WeakPolarHBondContact CA-O 3.46Å; M599-R682 HydrophobicContact CG-CB 4.33Å; M599-R682 PolarHBondContact SD-NH2 3.04Å; M599-V1202 CarbonylContact O-C 3.53Å; M599-V1202 WeakPolarHBondContact O-CA 3.39Å; M599-V1202 WeakPolarHBondContact O-CG1 3.02Å; M599-S1203 WeakPolarHBondContact CB-OG 3.04Å; M599-S1203 VanDerWaalsContact CE-OG 3.24Å; M599-S1203 WeakPolarHBondContact CE-OG 3.23Å; M599-S1203 PolarHBondContact N-O 2.88Å; M599-S1203 PolarHBondContact O-N 2.65Å; M599-D1204 HydrophobicContact CE-CB 4.34Å; M599-D1204 VanDerWaalsContact CE-CG 3.44Å; M599-D1204 WeakPolarHBondContact CE-OD2 3.1Å; M599-I1234 HydrophobicContact CB-CD1 4.25Å
600I90.9Very high91.2Very high4 Ų415.9 Ų15.92%0.0218%0.079CC..EExtended strand (participates in β ladder)trans-118.4126.8-179.4-46.6166.8000107.5V594 L602 P680 I681 P683 L708V594-I600 HydrophobicContact CB-CD1 4.12Å; V594-I600 HydrophobicContact CG1-CD1 3.57Å; V594-I600 HydrophobicContact CG1-CG1 3.97Å; V594-I600 HydrophobicContact CG2-CD1 3.89Å; I600-L602 VanDerWaalsContact C-N 3.33Å; I600-L602 PolarHBondContact O-N 3.39Å; I600-L602 VanDerWaalsContact O-N 3.1Å; I600-P680 CarbonylContact O-C 3.53Å; I600-P680 VanDerWaalsContact O-CA 3.28Å; I600-P680 WeakPolarHBondContact O-CA 3.37Å; I600-I681 HydrophobicContact CB-CG1 4.21Å; I600-I681 PolarHBondContact N-O 3.29Å; I600-I681 PolarHBondContact O-N 2.99Å; I600-P683 HydrophobicContact CD1-CG 4.04Å; I600-L708 HydrophobicContact CD1-CD1 4.33Å; I600-L708 HydrophobicContact CD1-CD2 3.84Å
601A89Confident91Very high4 Ų419.5 Ų19.53%0.03311%0.107CC..EExtended strand (participates in β ladder)trans-79.188.6163.700000107.8Q603 F678 Q1201 I1234 A1237A601-Q603 PolarHBondContact O-N 2.91Å; A601-F678 HydrophobicContact CB-CD1 4.09Å; A601-Q1201 HydrophobicContact CB-CB 3.87Å; A601-Q1201 PolarHBondContact N-O 3.09Å; A601-I1234 HydrophobicContact CB-CD1 3.82Å; A601-A1237 HydrophobicContact CB-CB 4.46Å
602L88.9Confident90.8Very high1 Ų122 Ų221%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-60.8108.3-177.8177.563.7000109.6L588 L590 I600 I604 L620 F678 I679 I681 L691L588-L602 HydrophobicContact CD2-CD1 4.04Å; L588-L602 HydrophobicContact CD2-CD2 4.35Å; L588-L602 HydrophobicContact CG-CD1 4.42Å; L590-L602 HydrophobicContact CD2-CD1 3.23Å; L590-L602 HydrophobicContact CG-CD1 4.13Å; I600-L602 VanDerWaalsContact C-N 3.33Å; I600-L602 PolarHBondContact O-N 3.39Å; I600-L602 VanDerWaalsContact O-N 3.1Å; L602-I604 HydrophobicContact CD2-CD1 4.25Å; L602-I604 HydrophobicContact CD2-CG1 4.36Å; L602-I604 HydrophobicContact CG-CD1 4.48Å; L602-I604 HydrophobicContact CG-CG1 4.16Å; L602-L620 HydrophobicContact CD2-CD1 4.34Å; L602-L620 HydrophobicContact CD2-CD2 3.98Å; L602-F678 WeakPolarHBondContact O-CA 3.46Å; L602-I679 HydrophobicContact CB-CB 4.38Å; L602-I679 WeakPolarHBondContact CB-O 3.27Å; L602-I679 PolarHBondContact N-O 2.72Å; L602-I679 PolarHBondContact O-N 3.48Å; L602-I681 HydrophobicContact CB-CD1 4.44Å; L602-I681 HydrophobicContact CB-CG1 4.47Å; L602-I681 HydrophobicContact CD2-CD1 4.43Å; L602-L691 HydrophobicContact CD1-CD1 4.23Å; L602-L691 HydrophobicContact CD2-CD1 4.36Å
603Q89.6Confident90.7Very high20 Ų2023.1 Ų23.19%0.09313%0.128CC..EExtended strand (participates in β ladder)trans-86.9113.6-179.2-170.5-178.241.100110.1L81 H589 A601 L605 T676 F678L81-Q603 PolarHBondContact O-NE2 3.46Å; H589-Q603 HydrophobicContact CB-CB 4.17Å; H589-Q603 HydrophobicContact CB-CG 4.46Å; H589-Q603 PolarHBondContact CD2-OE1 3.34Å; H589-Q603 PolarHBondContact N-O 3.5Å; A601-Q603 PolarHBondContact O-N 2.91Å; Q603-L605 HydrophobicContact CG-CD2 4.09Å; Q603-T676 HydrophobicContact CG-CG2 3.37Å; Q603-F678 HydrophobicContact CB-CD1 3.86Å; Q603-F678 HydrophobicContact CB-CE1 3.62Å; Q603-F678 HydrophobicContact CB-CZ 4.49Å; Q603-F678 HydrophobicContact CG-CD1 4.03Å; Q603-F678 HydrophobicContact CG-CE1 3.48Å; Q603-F678 VanDerWaalsContact CG-CE1 3.48Å; Q603-F678 HydrophobicContact CG-CZ 3.87Å
604I90.2Very high90.3Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-107.1124.3176.5-59.3161000107.6I586 L588 L602 I606 V618 T676 V677 I679 V693I586-I604 HydrophobicContact CB-CG2 4.44Å; L588-I604 HydrophobicContact CG-CG1 4.29Å; L602-I604 HydrophobicContact CD2-CD1 4.25Å; L602-I604 HydrophobicContact CD2-CG1 4.36Å; L602-I604 HydrophobicContact CG-CD1 4.48Å; L602-I604 HydrophobicContact CG-CG1 4.16Å; I604-I606 HydrophobicContact CG2-CD1 4.18Å; I604-I606 WeakPolarHBondContact O-CD1 3.29Å; I604-V618 HydrophobicContact CD1-CG1 4Å; I604-V618 HydrophobicContact CG2-CG1 4.5Å; I604-T676 WeakPolarHBondContact O-CA 3.35Å; I604-V677 HydrophobicContact CB-CG1 3.78Å; I604-V677 HydrophobicContact CD1-CG1 4.23Å; I604-V677 HydrophobicContact CG2-CG1 4.29Å; I604-V677 PolarHBondContact N-O 3.21Å; I604-V677 PolarHBondContact O-N 3.03Å; I604-I679 HydrophobicContact CD1-CD1 3.53Å; I604-I679 HydrophobicContact CD1-CG1 4.05Å; I604-V693 HydrophobicContact CD1-CG1 3.8Å; I604-V693 HydrophobicContact CD1-CG2 4.07Å; I604-V693 HydrophobicContact CG1-CG1 4.44Å; I604-V693 HydrophobicContact CG2-CG1 4.28Å
605L90Very high90Very high10 Ų1027 Ų275%0.05215%0.147CC..EExtended strand (participates in β ladder)trans-97.9126177.8-51.1178.6000108.7L81 T82 I586 R587 Q603 F607 T676L81-L605 HydrophobicContact CB-CD2 4.06Å; L81-L605 HydrophobicContact CD1-CD2 4.44Å; T82-L605 HydrophobicContact CG2-CD1 3.73Å; T82-L605 HydrophobicContact CG2-CD2 4.24Å; I586-L605 CarbonylContact C-O 3.59Å; I586-L605 WeakPolarHBondContact CA-O 3.42Å; R587-L605 HydrophobicContact CB-CB 4.38Å; R587-L605 PolarHBondContact N-O 3.2Å; R587-L605 PolarHBondContact O-N 3.49Å; Q603-L605 HydrophobicContact CG-CD2 4.09Å; L605-F607 HydrophobicContact CB-CD2 4.47Å; L605-F607 HydrophobicContact CB-CE2 3.63Å; L605-F607 HydrophobicContact CB-CZ 4.1Å; L605-F607 HydrophobicContact CD1-CE2 4.43Å; L605-F607 HydrophobicContact CD1-CZ 4.34Å; L605-T676 HydrophobicContact CD2-CG2 4.09Å; L605-T676 WeakPolarHBondContact CD2-OG1 3.25Å
606I90.5Very high89.7Confident0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-112.4125.2177.6-55.182.5000108.1F584 I586 I604 V616 V618 L667 V669 S674 A675 V677F584-I606 HydrophobicContact CE2-CG2 3.86Å; F584-I606 HydrophobicContact CZ-CG2 4.19Å; I586-I606 HydrophobicContact CG2-CB 4.43Å; I586-I606 HydrophobicContact CG2-CG1 3.99Å; I586-I606 HydrophobicContact CG2-CG2 4.35Å; I604-I606 HydrophobicContact CG2-CD1 4.18Å; I604-I606 WeakPolarHBondContact O-CD1 3.29Å; I606-V616 HydrophobicContact CG2-CG1 4.31Å; I606-V616 HydrophobicContact CG2-CG2 4.34Å; I606-V618 HydrophobicContact CD1-CG2 4.32Å; I606-V618 HydrophobicContact CG1-CG2 4.14Å; I606-L667 HydrophobicContact CB-CD1 4.49Å; I606-L667 HydrophobicContact CD1-CD1 3.71Å; I606-L667 HydrophobicContact CD1-CD2 4.4Å; I606-L667 HydrophobicContact CG1-CD1 4.17Å; I606-V669 HydrophobicContact CB-CG2 4.41Å; I606-V669 HydrophobicContact CG2-CG2 4.03Å; I606-S674 CarbonylContact O-C 3.57Å; I606-S674 WeakPolarHBondContact O-CA 3.3Å; I606-S674 WeakPolarHBondContact O-CB 3.24Å; I606-A675 PolarHBondContact N-O 3.24Å; I606-A675 PolarHBondContact O-N 3.27Å; I606-V677 HydrophobicContact CD1-CB 4.39Å; I606-V677 HydrophobicContact CD1-CG1 3.84Å
607F90.6Very high89.5Confident1 Ų126.5 Ų26.50%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-110.8125.4178.2-63.4-90.8000109.9L81 F584 F585 R587 L605 Y609L81-F607 HydrophobicContact CD1-CE1 4.06Å; L81-F607 HydrophobicContact CD1-CZ 4.12Å; F584-F607 WeakPolarHBondContact CA-O 3.49Å; F585-F607 HydrophobicContact CD1-CB 4.14Å; F585-F607 HydrophobicContact CD2-CB 4.44Å; F585-F607 AromaticContact CD2-CD2 3.89Å; F585-F607 HydrophobicContact CD2-CD2 3.89Å; F585-F607 HydrophobicContact CD2-CG 4.47Å; F585-F607 HydrophobicContact CE1-CB 3.76Å; F585-F607 HydrophobicContact CE1-CG 4.23Å; F585-F607 HydrophobicContact CE2-CB 4.06Å; F585-F607 AromaticContact CE2-CD2 3.34Å; F585-F607 HydrophobicContact CE2-CD2 3.34Å; F585-F607 AromaticContact CE2-CE2 3.93Å; F585-F607 HydrophobicContact CE2-CE2 3.93Å; F585-F607 AromaticContact CE2-CG 3.78Å; F585-F607 HydrophobicContact CE2-CG 3.78Å; F585-F607 HydrophobicContact CG-CB 4.47Å; F585-F607 HydrophobicContact CZ-CB 3.72Å; F585-F607 HydrophobicContact CZ-CD1 4.32Å; F585-F607 AromaticContact CZ-CD2 3.74Å; F585-F607 HydrophobicContact CZ-CD2 3.74Å; F585-F607 HydrophobicContact CZ-CE2 4.47Å; F585-F607 AromaticContact CZ-CG 3.66Å; F585-F607 HydrophobicContact CZ-CG 3.66Å; F585-F607 PolarHBondContact N-O 2.95Å; F585-F607 PolarHBondContact O-N 2.83Å; R587-F607 HydrophobicContact CB-CE2 4.35Å; R587-F607 HydrophobicContact CG-CE2 4.19Å; L605-F607 HydrophobicContact CB-CD2 4.47Å; L605-F607 HydrophobicContact CB-CE2 3.63Å; L605-F607 HydrophobicContact CB-CZ 4.1Å; L605-F607 HydrophobicContact CD1-CE2 4.43Å; L605-F607 HydrophobicContact CD1-CZ 4.34Å; F607-Y609 HydrophobicContact CB-CD2 4.13Å; F607-Y609 HydrophobicContact CB-CE2 3.73Å; F607-Y609 AromaticContact CD1-CE2 3.98Å; F607-Y609 HydrophobicContact CD1-CE2 3.98Å; F607-Y609 HydrophobicContact CG-CE2 4.19Å
608N91.3Very high89.5Confident0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-118.795.4173.517817.4000109.6M610 N612 K614 V669 K670 R672 S673N608-M610 VanDerWaalsContact C-N 3.34Å; N608-M610 VanDerWaalsContact OD1-CB 3.25Å; N608-M610 WeakPolarHBondContact OD1-CB 3.25Å; N608-M610 PolarHBondContact OD1-N 3.25Å; N608-N612 PolarHBondContact ND2-O 2.87Å; N608-K614 WeakPolarHBondContact ND2-CG 3.25Å; N608-V669 HydrophobicContact CB-CB 4.08Å; N608-V669 HydrophobicContact CB-CG1 3.56Å; N608-V669 PolarHBondContact ND2-O 3Å; N608-K670 PolarHBondContact ND2-O 3.44Å; N608-R672 CarbonylContact O-C 3.58Å; N608-R672 WeakPolarHBondContact O-CA 3.18Å; N608-R672 PolarHBondContact O-N 3.29Å; N608-S673 CarbonylContact C-O 3.58Å; N608-S673 PolarHBondContact N-O 3.45Å; N608-S673 PolarHBondContact O-N 2.69Å
609Y88.9Confident89.2Confident43 Ų4326 Ų2617%0.16914%0.141CC..  trans-92.99.9173.2-64.8-74.7000113.5Y9 K11 F581 P583 F585 F607Y9-Y609 AromaticContact CE2-CE2 3.96Å; Y9-Y609 HydrophobicContact CE2-CE2 3.96Å; Y9-Y609 PolarHBondContact OH-OH 2.94Å; K11-Y609 HydrophobicContact CB-CE1 3.78Å; K11-Y609 WeakPolarHBondContact CB-OH 3.39Å; K11-Y609 HydrophobicContact CD-CD1 4.09Å; K11-Y609 HydrophobicContact CD-CE1 3.97Å; K11-Y609 HydrophobicContact CG-CD1 4.16Å; K11-Y609 HydrophobicContact CG-CE1 3.63Å; K11-Y609 HydrophobicContact CG-CE2 4.18Å; F581-Y609 AromaticContact CE2-CD2 3.98Å; F581-Y609 HydrophobicContact CE2-CD2 3.98Å; F581-Y609 HydrophobicContact CE2-CE2 4.15Å; F581-Y609 AromaticContact CZ-CD2 3.56Å; F581-Y609 HydrophobicContact CZ-CD2 3.56Å; F581-Y609 HydrophobicContact CZ-CE2 4.17Å; F581-Y609 AromaticContact CZ-CG 3.92Å; F581-Y609 HydrophobicContact CZ-CG 3.92Å; P583-Y609 WeakPolarHBondContact O-CA 3.43Å; P583-Y609 WeakPolarHBondContact O-CB 3.43Å; P583-Y609 PolarHBondContact O-N 3Å; F585-Y609 AromaticContact CE1-CD2 3.94Å; F585-Y609 HydrophobicContact CE1-CD2 3.94Å; F585-Y609 AromaticContact CE1-CE2 3.74Å; F585-Y609 HydrophobicContact CE1-CE2 3.74Å; F585-Y609 HydrophobicContact CZ-CE2 4.03Å; F607-Y609 HydrophobicContact CB-CD2 4.13Å; F607-Y609 HydrophobicContact CB-CE2 3.73Å; F607-Y609 AromaticContact CD1-CE2 3.98Å; F607-Y609 HydrophobicContact CD1-CE2 3.98Å; F607-Y609 HydrophobicContact CG-CE2 4.19Å
610M87.4Confident89Confident43 Ų4325.5 Ų25.521%0.21214%0.139CC..SBendtrans-74.8166.8173.9-53.5176.675.300110.8P583 F584 N608 N612 P671 R672 A700P583-M610 HydrophobicContact CB-CG 4.04Å; F584-M610 HydrophobicContact CB-SD 4.16Å; N608-M610 VanDerWaalsContact C-N 3.34Å; N608-M610 VanDerWaalsContact OD1-CB 3.25Å; N608-M610 WeakPolarHBondContact OD1-CB 3.25Å; N608-M610 PolarHBondContact OD1-N 3.25Å; M610-N612 VanDerWaalsContact C-N 3.35Å; M610-P671 WeakPolarHBondContact O-CB 2.79Å; M610-R672 PolarHBondContact O-N 3.03Å; M610-A700 HydrophobicContact SD-CB 3.96Å
611S86.8Confident88.6Confident105 Ų10527 Ų2773%0.73415%0.146SC*.SBendtrans-77.4-19-177.148.20000114P671S611-P671 VanDerWaalsContact O-CB 3.32Å; S611-P671 WeakPolarHBondContact O-CB 3.46Å
612N89Confident88.1Confident62 Ų6231.7 Ų31.733%0.33216%0.163SC..SBendtrans-111.4151.8-178.351-16.5000111.9N608 M610 K614N608-N612 PolarHBondContact ND2-O 2.87Å; M610-N612 VanDerWaalsContact C-N 3.35Å; N612-K614 PolarHBondContact ND2-NZ 3.5Å; N612-K614 WeakPolarHBondContact OD1-CE 3.25Å
613E89.2Confident87.4Confident95 Ų9538.1 Ų38.144%0.44419%0.193SC..  trans-64.1142.8170-176.5172.7-141.400110V669E613-V669 WeakPolarHBondContact CA-O 2.95Å
614K87.7Confident86.3Confident0 Ų047.8 Ų47.80%023%0.229CC..EExtended strand (participates in β ladder)trans-118130.5179-64.9-58.8-178.7-173.20111.2N608 N612 V616 R668 V669 A697 D698 D699N608-K614 WeakPolarHBondContact ND2-CG 3.25Å; N612-K614 PolarHBondContact ND2-NZ 3.5Å; N612-K614 WeakPolarHBondContact OD1-CE 3.25Å; K614-V616 HydrophobicContact CB-CG2 3.86Å; K614-V616 PolarHBondContact O-N 3.19Å; K614-R668 WeakPolarHBondContact O-CA 3.49Å; K614-V669 PolarHBondContact N-O 2.82Å; K614-V669 PolarHBondContact O-N 2.95Å; K614-A697 HydrophobicContact CB-CB 4.19Å; K614-A697 HydrophobicContact CD-CB 4.11Å; K614-A697 HydrophobicContact CG-CB 4.41Å; K614-D698 VanDerWaalsContact CD-OD1 3.32Å; K614-D698 WeakPolarHBondContact CD-OD1 3.45Å; K614-D698 IonicContact NZ-OD1 3.91Å; K614-D698 PolarHBondContact NZ-OD1 2.84Å; K614-D698 IonicContact NZ-OD2 2.78Å; K614-D698 PolarHBondContact NZ-OD2 2.77Å; K614-D699 WeakPolarHBondContact CE-OD1 3.36Å; K614-D699 IonicContact NZ-OD1 3.66Å; K614-D699 PolarHBondContact NZ-OD1 3.16Å; K614-D699 IonicContact NZ-OD2 3.98Å; K614-D699 PolarHBondContact NZ-OD2 2.93Å
615L88.8Confident85.5Confident99 Ų9955.9 Ų55.952%0.51827%0.266SS..EExtended strand (participates in β ladder)trans-86.2105.8163.8-177.167.4000107.6R668L615-R668 HydrophobicContact CD1-CG 3.68Å
616V89.1Confident85Confident0 Ų056.7 Ų56.70%027%0.273CS..EExtended strand (participates in β ladder)trans-102.6128.5-172.4-177.10000109.9F584 I606 K614 V618 H666 L667 V669 A695 F696F584-V616 HydrophobicContact CE2-CG1 4.37Å; F584-V616 HydrophobicContact CE2-CG2 3.65Å; F584-V616 HydrophobicContact CZ-CG1 3.82Å; F584-V616 HydrophobicContact CZ-CG2 3.9Å; I606-V616 HydrophobicContact CG2-CG1 4.31Å; I606-V616 HydrophobicContact CG2-CG2 4.34Å; K614-V616 HydrophobicContact CB-CG2 3.86Å; K614-V616 PolarHBondContact O-N 3.19Å; V616-V618 HydrophobicContact CG1-CG2 3.99Å; V616-H666 WeakPolarHBondContact O-CA 3.15Å; V616-L667 HydrophobicContact CB-CG 4.33Å; V616-L667 PolarHBondContact N-O 2.77Å; V616-L667 PolarHBondContact O-N 3.43Å; V616-V669 HydrophobicContact CB-CG2 4.31Å; V616-V669 HydrophobicContact CG2-CB 4.4Å; V616-V669 HydrophobicContact CG2-CG2 3.74Å; V616-A695 HydrophobicContact CG1-CB 4Å; V616-F696 CarbonylContact C-O 3.58Å; V616-F696 VanDerWaalsContact CA-O 3.31Å; V616-F696 WeakPolarHBondContact CA-O 3.32Å
617T88.6Confident84.9Confident31 Ų3157.1 Ų57.119%0.1928%0.277CS..EExtended strand (participates in β ladder)trans-99.2116.6169-55.60000110.1V619 F664 F665 H666 A695 F696T617-V619 HydrophobicContact CG2-CG2 4.33Å; T617-F664 HydrophobicContact CG2-CB 3.85Å; T617-F664 HydrophobicContact CG2-CD1 3.68Å; T617-F664 HydrophobicContact CG2-CG 4.24Å; T617-F665 CarbonylContact C-O 3.52Å; T617-F665 VanDerWaalsContact CA-O 3.3Å; T617-F665 WeakPolarHBondContact CA-O 3.01Å; T617-H666 PolarHBondContact OG1-CE1 3.29Å; T617-H666 PolarHBondContact OG1-ND1 2.81Å; T617-A695 CarbonylContact O-C 3.52Å; T617-A695 WeakPolarHBondContact O-CA 3.42Å; T617-F696 PolarHBondContact N-O 2.93Å; T617-F696 PolarHBondContact O-N 3.01Å
618V88.7Confident84.8Confident0 Ų057.2 Ų57.20%028%0.278CS..EExtended strand (participates in β ladder)trans-103.3135.6176.7-178.40000110.5I604 I606 V616 F665 L667 V677 V693 K694 A695I604-V618 HydrophobicContact CD1-CG1 4Å; I604-V618 HydrophobicContact CG2-CG1 4.5Å; I606-V618 HydrophobicContact CD1-CG2 4.32Å; I606-V618 HydrophobicContact CG1-CG2 4.14Å; V616-V618 HydrophobicContact CG1-CG2 3.99Å; V618-F665 HydrophobicContact CB-CB 4.44Å; V618-F665 PolarHBondContact N-O 2.81Å; V618-F665 PolarHBondContact O-N 3.27Å; V618-L667 HydrophobicContact CB-CD2 4.48Å; V618-L667 HydrophobicContact CG2-CD2 3.68Å; V618-V677 HydrophobicContact CB-CG1 4.4Å; V618-V677 HydrophobicContact CG1-CG1 4.2Å; V618-V677 HydrophobicContact CG2-CG1 4.35Å; V618-V693 HydrophobicContact CG1-CG1 3.86Å; V618-K694 CarbonylContact C-O 3.54Å; V618-K694 WeakPolarHBondContact CA-O 3.13Å; V618-A695 HydrophobicContact CG2-CB 4.14Å
619V87.6Confident84.5Confident11 Ų1160.1 Ų60.17%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-133.6119.1-178.9-175.40000109.4T617 F664 V693 K694 F696T617-V619 HydrophobicContact CG2-CG2 4.33Å; V619-F664 HydrophobicContact CG2-CD1 3.28Å; V619-F664 HydrophobicContact CG2-CE1 3.6Å; V619-F664 HydrophobicContact CG2-CG 4.18Å; V619-V693 WeakPolarHBondContact O-CA 3.32Å; V619-K694 PolarHBondContact N-O 2.97Å; V619-K694 PolarHBondContact O-N 2.87Å; V619-F696 HydrophobicContact CG2-CE2 4.49Å
620L87.4Confident84.2Confident7 Ų760 Ų604%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-86.8114.3163177.562.2000108.1L602 R622 F628 F630 I679 I681 L691 V693L602-L620 HydrophobicContact CD2-CD1 4.34Å; L602-L620 HydrophobicContact CD2-CD2 3.98Å; L620-R622 PolarHBondContact O-N 3.39Å; L620-F628 HydrophobicContact CD1-CZ 4.35Å; L620-F628 HydrophobicContact CD2-CE2 3.77Å; L620-F628 HydrophobicContact CD2-CZ 4.03Å; L620-F628 HydrophobicContact CG-CE2 4.21Å; L620-F628 HydrophobicContact CG-CZ 4.06Å; L620-F630 HydrophobicContact CB-CE1 4.25Å; L620-F630 HydrophobicContact CB-CZ 4.31Å; L620-F630 HydrophobicContact CD2-CE1 3.84Å; L620-F630 HydrophobicContact CD2-CZ 4.32Å; L620-F630 HydrophobicContact CG-CE1 4.31Å; L620-F630 HydrophobicContact CG-CZ 4.36Å; L620-I679 HydrophobicContact CB-CD1 3.99Å; L620-I679 HydrophobicContact CD2-CG2 4.09Å; L620-I681 HydrophobicContact CD2-CG2 3.66Å; L620-L691 HydrophobicContact CD1-CB 4.42Å; L620-L691 HydrophobicContact CD1-CD2 4.46Å; L620-V693 HydrophobicContact CD1-CG2 3.68Å
621N82Confident83.7Confident34 Ų3458.7 Ų58.718%0.18229%0.288CS..  trans-74.4128.1-177.9-16726.9000110.3L692N621-L692 HydrophobicContact CB-CB 4.25Å; N621-L692 HydrophobicContact CB-CD2 4.16Å; N621-L692 HydrophobicContact CB-CG 4.24Å; N621-L692 PolarHBondContact N-O 3.14Å
622R78Confident82.9Confident103 Ų10359.5 Ų59.539%0.38928%0.284SS..  trans-125.2125.1174.9-178.1-174.8161.41772.1109.7L620 F628 D629 F630L620-R622 PolarHBondContact O-N 3.39Å; R622-F628 HydrophobicContact CB-CE2 4.28Å; R622-F628 HydrophobicContact CB-CZ 4.18Å; R622-F628 HydrophobicContact CG-CE2 4.31Å; R622-F628 HydrophobicContact CG-CZ 4.37Å; R622-F628 PolarHBondContact NE-O 3.27Å; R622-D629 IonicContact CZ-OD1 2.75Å; R622-D629 IonicContact NH1-OD1 2.73Å; R622-D629 PolarHBondContact NH1-OD1 3.22Å; R622-D629 IonicContact NH2-OD1 3.66Å; R622-D629 PolarHBondContact NH2-OD1 2.86Å; R622-F630 HydrophobicContact CB-CE2 3.78Å; R622-F630 HydrophobicContact CB-CZ 4.22Å; R622-F630 HydrophobicContact CG-CE2 4.35Å
623Q73.9Confident81.7Confident136 Ų13662.6 Ų62.664%0.63630%0.295SS*.  trans-103.3168.6169-63.9178.9-2100109.7H625 S626Q623-H625 PolarHBondContact O-N 3.17Å; Q623-H625 VanDerWaalsContact O-N 3.11Å; Q623-S626 PolarHBondContact N-OG 2.78Å; Q623-S626 PolarHBondContact O-N 2.96Å; Q623-S626 PolarHBondContact O-OG 3.09Å
624R67.3Low80Confident224 Ų22461.3 Ų61.385%0.84529%0.294SS*.THydrogen-bonded Turntrans-56.3-30.4-176.8-161.9176.7-171.5179.61.3113.3
625H73Confident77.9Confident169 Ų16967.6 Ų67.678%0.78233%0.333SS*.THydrogen-bonded Turntrans-118.329.9-177.8-55.9-65.2000113.1Q623 G627Q623-H625 PolarHBondContact O-N 3.17Å; Q623-H625 VanDerWaalsContact O-N 3.11Å; H625-G627 PolarHBondContact O-N 3.4Å
626S80.4Confident75.6Confident27 Ų2771 Ų7119%0.18934%0.343CS..SBendtrans-69.7-8.9179.1-70.80000114.7Q623 F628 I689Q623-S626 PolarHBondContact N-OG 2.78Å; Q623-S626 PolarHBondContact O-N 2.96Å; Q623-S626 PolarHBondContact O-OG 3.09Å; S626-F628 VanDerWaalsContact C-N 3.34Å; S626-F628 WeakPolarHBondContact O-CD1 3.37Å; S626-F628 PolarHBondContact O-N 3.38Å; S626-I689 WeakPolarHBondContact O-CG2 3.5Å
627G86.7Confident72.9Confident9 Ų979.3 Ų79.39%0.09339%0.387CS..SBendtrans79.19.8176.900000115.6H625 T684 T685 I689H625-G627 PolarHBondContact O-N 3.4Å; G627-T684 PolarHBondContact O-N 2.81Å; G627-T684 PolarHBondContact O-OG1 2.84Å; G627-T684 VanDerWaalsContact O-OG1 3.05Å; G627-T685 WeakPolarHBondContact CA-OG1 3.46Å; G627-T685 PolarHBondContact O-N 3.14Å; G627-T685 PolarHBondContact O-OG1 3.12Å; G627-I689 WeakPolarHBondContact O-CD1 3.32Å
628F89.5Confident70.4Confident4 Ų485.9 Ų85.92%0.01842%0.415CS..EExtended strand (participates in β ladder)trans-146.2156.4175.668.2-90.5000112.6L620 R622 S626 F630 I681 R682 I689 L691L620-F628 HydrophobicContact CD1-CZ 4.35Å; L620-F628 HydrophobicContact CD2-CE2 3.77Å; L620-F628 HydrophobicContact CD2-CZ 4.03Å; L620-F628 HydrophobicContact CG-CE2 4.21Å; L620-F628 HydrophobicContact CG-CZ 4.06Å; R622-F628 HydrophobicContact CB-CE2 4.28Å; R622-F628 HydrophobicContact CB-CZ 4.18Å; R622-F628 HydrophobicContact CG-CE2 4.31Å; R622-F628 HydrophobicContact CG-CZ 4.37Å; R622-F628 PolarHBondContact NE-O 3.27Å; S626-F628 VanDerWaalsContact C-N 3.34Å; S626-F628 WeakPolarHBondContact O-CD1 3.37Å; S626-F628 PolarHBondContact O-N 3.38Å; F628-F630 HydrophobicContact CE2-CZ 4.43Å; F628-I681 HydrophobicContact CD2-CB 4.19Å; F628-I681 HydrophobicContact CD2-CG2 4.02Å; F628-I681 HydrophobicContact CE2-CG2 4.23Å; F628-R682 CarbonylContact C-O 3.56Å; F628-R682 VanDerWaalsContact CA-O 3.29Å; F628-R682 WeakPolarHBondContact CA-O 3.31Å; F628-I689 HydrophobicContact CD1-CG2 3.8Å; F628-I689 HydrophobicContact CE1-CG2 4.33Å; F628-L691 HydrophobicContact CD1-CD2 4.08Å; F628-L691 HydrophobicContact CE1-CD2 3.83Å; F628-L691 HydrophobicContact CZ-CD2 4.32Å
629D85.6Confident67.7Low61 Ų6195.5 Ų95.533%0.32646%0.457SS..EExtended strand (participates in β ladder)trans-112.6152.4173.7-77.4-45.2000112R622 I681 R682 T684R622-D629 IonicContact CZ-OD1 2.75Å; R622-D629 IonicContact NH1-OD1 2.73Å; R622-D629 PolarHBondContact NH1-OD1 3.22Å; R622-D629 IonicContact NH2-OD1 3.66Å; R622-D629 PolarHBondContact NH2-OD1 2.86Å; D629-I681 CarbonylContact O-C 3.52Å; D629-I681 VanDerWaalsContact O-CA 3.3Å; D629-I681 WeakPolarHBondContact O-CA 3.24Å; D629-R682 PolarHBondContact N-O 2.99Å; D629-R682 PolarHBondContact O-N 2.87Å; D629-T684 HydrophobicContact CB-CG2 4.39Å; D629-T684 VanDerWaalsContact OD2-CG2 3.29Å; D629-T684 WeakPolarHBondContact OD2-CG2 3.18Å
630F82.7Confident65.2Low40 Ų40102.7 Ų102.718%0.17550%0.495CS..EExtended strand (participates in β ladder)trans-79.6139.9167.6-70-70.6000109.5L620 R622 F628 I679 I681L620-F630 HydrophobicContact CB-CE1 4.25Å; L620-F630 HydrophobicContact CB-CZ 4.31Å; L620-F630 HydrophobicContact CD2-CE1 3.84Å; L620-F630 HydrophobicContact CD2-CZ 4.32Å; L620-F630 HydrophobicContact CG-CE1 4.31Å; L620-F630 HydrophobicContact CG-CZ 4.36Å; R622-F630 HydrophobicContact CB-CE2 3.78Å; R622-F630 HydrophobicContact CB-CZ 4.22Å; R622-F630 HydrophobicContact CG-CE2 4.35Å; F628-F630 HydrophobicContact CE2-CZ 4.43Å; F630-I679 HydrophobicContact CD1-CG2 4.01Å; F630-I679 HydrophobicContact CE1-CG2 3.79Å; F630-I681 HydrophobicContact CD1-CG2 4.17Å; F630-I681 HydrophobicContact CE1-CG2 4.4Å
631V75.7Confident62.5Low15 Ų15112.3 Ų112.39%0.09154%0.537CS..PPolyproline II helixtrans-86.2125.5175.2-174.30000109.5M599 P680 R682 W1243M599-V631 HydrophobicContact CB-CG2 4.36Å; M599-V631 HydrophobicContact CG-CG2 3.91Å; M599-V631 HydrophobicContact SD-CB 4.42Å; M599-V631 HydrophobicContact SD-CG1 3.65Å; M599-V631 HydrophobicContact SD-CG2 3.83Å; V631-P680 HydrophobicContact CB-CB 3.9Å; V631-P680 HydrophobicContact CB-CG 4.18Å; V631-P680 HydrophobicContact CG2-CB 4.21Å; V631-P680 PolarHBondContact N-O 3.49Å; V631-R682 HydrophobicContact CG2-CB 4.23Å; V631-W1243 HydrophobicContact CG1-CZ2 4.21Å; V631-W1243 PolarHBondContact O-NE1 3.24Å
632N69.5Low60.2Low123 Ų123119.6 Ų119.666%0.65857%0.57SS**PPolyproline II helixtrans-84.3150.7176.9-69.7-29.6000111.2
633K64.3Low57.8Low127 Ų127125 Ų12555%0.55260%0.596SS**PPolyproline II helixtrans-61.2127.6176.8-169.2174.5-175.5173.20109.5V635 W1243K633-V635 PolarHBondContact O-N 3.27Å; K633-W1243 HydrophobicContact CB-CB 4.26Å; K633-W1243 HydrophobicContact CB-CD2 3.64Å; K633-W1243 HydrophobicContact CB-CE3 4.07Å; K633-W1243 HydrophobicContact CB-CG 3.74Å; K633-W1243 HydrophobicContact CD-CB 4.06Å; K633-W1243 HydrophobicContact CD-CD2 4.4Å; K633-W1243 HydrophobicContact CD-CE3 4.27Å; K633-W1243 HydrophobicContact CD-CG 4.36Å; K633-W1243 HydrophobicContact CG-CB 4.41Å; K633-W1243 HydrophobicContact CG-CD2 3.85Å; K633-W1243 HydrophobicContact CG-CE3 3.75Å; K633-W1243 HydrophobicContact CG-CG 4.18Å; K633-W1243 HydrophobicContact CG-CZ3 4.25Å
634P53.8Low55.6Low67 Ų67126.7 Ų126.744%0.43561%0.606SS.*PPolyproline II helixtrans-63124.6170.523.5-29000109K636P634-K636 PolarHBondContact O-N 3.41Å
635V42.8Very low53.8Low133 Ų133125.8 Ų125.881%0.80661%0.608SS**  trans-7095.9179.5-178.20000108.4K633K633-V635 PolarHBondContact O-N 3.27Å
636K41.5Very low52.1Low171 Ų171122 Ų12274%0.74359%0.593SS**  trans-93.1114.3160.7-76.4-173.8177.4179.70108.2P634 E638P634-K636 PolarHBondContact O-N 3.41Å; K636-E638 PolarHBondContact O-N 3.18Å
637L32.1Very low50.6Low173 Ų173126 Ų12691%0.90662%0.617SS**  trans-70.380.8169.7-91.7130.5000108.5
638E34.8Very low49.1Very low170 Ų170127 Ų12779%0.79462%0.62SS**  trans-120.8115.2165.7-88175165.300109.6K636 D640K636-E638 PolarHBondContact O-N 3.18Å; E638-D640 PolarHBondContact O-N 3.38Å
639K32.2Very low47.5Very low201 Ų201129 Ų12987%0.87463%0.632SS**  trans-79.899.4168.4-74.7175.4176.8174.60106.3
640D35.9Very low46.4Very low163 Ų163127.8 Ų127.887%0.87262%0.623SS**  trans-151.2117.5147.7-90.5-34.8000109.6E638 E642E638-D640 PolarHBondContact O-N 3.38Å; D640-E642 PolarHBondContact O-N 2.78Å
641K31Very low45Very low208 Ų208126.4 Ų126.490%0.90462%0.618SS**  trans-95.486.1-176.7-72.8-178.9175.8179.20108.6
642E32.6Very low44Very low187 Ų187128.8 Ų128.887%0.87463%0.633SS**  trans-105.1120.9160.1-80-161.3148.200110.8D640 M644D640-E642 PolarHBondContact O-N 2.78Å; E642-M644 VanDerWaalsContact C-N 3.33Å; E642-M644 PolarHBondContact O-N 2.88Å
643K28.7Very low43.2Very low218 Ų218129.2 Ų129.295%0.94863%0.629SS**  trans-68.482.7-177.2-70.4174.8175.5174.70110.4
644M26.8Very low42.4Very low171 Ų171126.5 Ų126.584%0.84263%0.63SS**  trans-80.8129.3167.2-155.8164.3-174.700109.4E642 L646E642-M644 VanDerWaalsContact C-N 3.33Å; E642-M644 PolarHBondContact O-N 2.88Å; M644-L646 PolarHBondContact O-N 2.85Å
645K30.9Very low42Very low204 Ų204126.5 Ų126.589%0.88763%0.625SS**  trans-6296175.7-85.5178.5174.4175.30109.6T647K645-T647 PolarHBondContact O-N 3.09Å
646L37Very low41.8Very low89 Ų89125 Ų12547%0.46662%0.618SS.*  trans-76.1116179.5-135.879000110.4M644 N648 P1244 E1245M644-L646 PolarHBondContact O-N 2.85Å; L646-N648 WeakPolarHBondContact CD2-O 3.39Å; L646-P1244 HydrophobicContact CD2-CB 4.18Å; L646-E1245 HydrophobicContact CD2-CB 3.79Å; L646-E1245 HydrophobicContact CD2-CG 4.07Å
647T48.4Very low42.1Very low113 Ų113127.3 Ų127.369%0.69362%0.624SS**  trans-82.5-22.8178.332.60000113.9K645K645-T647 PolarHBondContact O-N 3.09Å
648N56.2Low42.8Very low28 Ų28121.9 Ų121.915%0.1561%0.61CS.*  trans-115.7140.9-177.3-63.8-17.1000110.2L646 H666 L667 P1244L646-N648 WeakPolarHBondContact CD2-O 3.39Å; N648-H666 WeakPolarHBondContact CA-O 3.42Å; N648-L667 WeakPolarHBondContact OD1-CA 2.83Å; N648-L667 VanDerWaalsContact OD1-CB 3.32Å; N648-L667 WeakPolarHBondContact OD1-CB 2.92Å; N648-P1244 HydrophobicContact CB-CB 4.44Å; N648-P1244 VanDerWaalsContact O-CB 3.28Å; N648-P1244 WeakPolarHBondContact O-CB 3.01Å
649T55.9Low43.2Very low46 Ų46121.4 Ų121.428%0.28261%0.612SS.*EExtended strand (participates in β ladder)trans-129.7150.2179.757.50000111.6H666T649-H666 PolarHBondContact N-O 2.67Å; T649-H666 PolarHBondContact O-N 3.09Å
650R61.1Low44Very low36 Ų36114.2 Ų114.214%0.13659%0.59CS.*EExtended strand (participates in β ladder)trans-110.1137.5175.6-173.6-178.3172.4-173.44.3109.8T663 F664 F665 P1244 E1245 V1246 S1247R650-T663 HydrophobicContact CG-CG2 3.71Å; R650-T663 PolarHBondContact NH2-OG1 3Å; R650-T663 VanDerWaalsContact NH2-OG1 3.16Å; R650-F664 WeakPolarHBondContact CA-O 3.39Å; R650-F665 HydrophobicContact CG-CE1 4.43Å; R650-P1244 HydrophobicContact CB-CG 4.24Å; R650-E1245 PolarHBondContact N-O 3.23Å; R650-V1246 WeakPolarHBondContact O-CA 3.07Å; R650-S1247 PolarHBondContact O-N 2.88Å
651T54.3Low44.8Very low12 Ų12113.3 Ų113.37%0.07458%0.578CS.*EExtended strand (participates in β ladder)trans-127.5136.3168.654.40000110F664 H666 A1250T651-F664 PolarHBondContact N-O 2.77Å; T651-F664 PolarHBondContact O-N 2.98Å; T651-F664 WeakPolarHBondContact OG1-CB 3.49Å; T651-H666 PolarHBondContact OG1-NE2 3.4Å; T651-A1250 HydrophobicContact CG2-CB 4.4Å
652V55Low46.4Very low65 Ų65108.4 Ų108.439%0.39455%0.554SS.*EExtended strand (participates in β ladder)trans-114.8117.4177.3-177.50000107.2F661 R662V652-F661 HydrophobicContact CG1-CB 3.93Å; V652-F661 HydrophobicContact CG1-CD1 4.04Å; V652-F661 HydrophobicContact CG1-CG 4.35Å; V652-R662 WeakPolarHBondContact CA-O 2.82Å
653K52.9Low48Very low132 Ų132100 Ų10057%0.57452%0.515SS*.EExtended strand (participates in β ladder)trans-106.5132.8176-67.4-176.3174.9-179.80110.2R662 F664K653-R662 PolarHBondContact N-O 3.34Å; K653-R662 PolarHBondContact O-N 3.19Å; K653-F664 HydrophobicContact CB-CE2 4Å; K653-F664 HydrophobicContact CD-CE2 4.1Å; K653-F664 HydrophobicContact CG-CD2 4.45Å; K653-F664 HydrophobicContact CG-CE2 4.11Å
654A45.9Very low50.1Low70 Ų7091.5 Ų91.558%0.57948%0.479SS*.EExtended strand (participates in β ladder)trans-73.4131.5165.800000109.3F661A654-F661 HydrophobicContact CB-CD1 4.18Å; A654-F661 HydrophobicContact CB-CE1 3.99Å
655M45.4Very low52.6Low67 Ų6783.8 Ų83.833%0.3344%0.44SS..PPolyproline II helixtrans-76.2152.7174.6-66.6-73.8-71.900110.4Y657 G658 A660 R662M655-Y657 PolarHBondContact O-N 3.36Å; M655-G658 PolarHBondContact O-N 2.86Å; M655-G658 VanDerWaalsContact O-N 3.11Å; M655-A660 WeakPolarHBondContact CB-O 3.27Å; M655-A660 HydrophobicContact CG-CB 4.41Å; M655-A660 WeakPolarHBondContact CG-O 3.38Å; M655-A660 PolarHBondContact N-O 2.89Å; M655-R662 HydrophobicContact CG-CG 4.42Å; M655-R662 HydrophobicContact SD-CG 4.23Å
656P39.3Very low54.9Low102 Ų10275.9 Ų75.966%0.66241%0.407SS*.THydrogen-bonded Turntrans-53135.5169.7-19.430.8000109.2
657Y48.1Very low57.1Low219 Ų21971.8 Ų71.886%0.85939%0.385SS*.THydrogen-bonded Turntrans80.810.1-172.3-44.7-72.9000117.7M655 L659M655-Y657 PolarHBondContact O-N 3.36Å; Y657-L659 WeakPolarHBondContact O-CG 3.17Å; Y657-L659 PolarHBondContact O-N 3.19Å
658G45.7Very low58.7Low59 Ų5974.1 Ų74.161%0.60838%0.381SS*.SBendtrans68.60.9159.600000117.2M655M655-G658 PolarHBondContact O-N 2.86Å; M655-G658 VanDerWaalsContact O-N 3.11Å
659L44.4Very low60.1Low160 Ų16072.8 Ų72.884%0.83837%0.374SS*.SBendtrans-96.7-3.2-172.3-75.1159.8000114.7Y657Y657-L659 WeakPolarHBondContact O-CG 3.17Å; Y657-L659 PolarHBondContact O-N 3.19Å
660A49.2Very low61.6Low50 Ų5077.4 Ų77.441%0.41339%0.39SS..  trans-153.8138.3178.200000113.3M655M655-A660 WeakPolarHBondContact CB-O 3.27Å; M655-A660 HydrophobicContact CG-CB 4.41Å; M655-A660 WeakPolarHBondContact CG-O 3.38Å; M655-A660 PolarHBondContact N-O 2.89Å
661F53.1Low62.7Low143 Ų14378.4 Ų78.463%0.62740%0.402SS*.EExtended strand (participates in β ladder)trans-103.1135.2171.3-63.2-84.4000110.1V652 A654V652-F661 HydrophobicContact CG1-CB 3.93Å; V652-F661 HydrophobicContact CG1-CD1 4.04Å; V652-F661 HydrophobicContact CG1-CG 4.35Å; A654-F661 HydrophobicContact CB-CD1 4.18Å; A654-F661 HydrophobicContact CB-CE1 3.99Å
662R63.3Low63.9Low105 Ų10586.8 Ų86.840%0.39643%0.432SS..EExtended strand (participates in β ladder)trans-106.7131.7169.9-76.3-174.4176.2170.11.7110.1V652 K653 M655 F664V652-R662 WeakPolarHBondContact CA-O 2.82Å; K653-R662 PolarHBondContact N-O 3.34Å; K653-R662 PolarHBondContact O-N 3.19Å; M655-R662 HydrophobicContact CG-CG 4.42Å; M655-R662 HydrophobicContact SD-CG 4.23Å; R662-F664 HydrophobicContact CB-CD2 4.39Å; R662-F664 HydrophobicContact CB-CE2 3.58Å; R662-F664 HydrophobicContact CB-CZ 3.9Å
663T66.8Low65.2Low10 Ų1084.6 Ų84.66%0.06142%0.419CS..EExtended strand (participates in β ladder)trans-96.9129.3172.7-60.80000109.5R650 F665R650-T663 HydrophobicContact CG-CG2 3.71Å; R650-T663 PolarHBondContact NH2-OG1 3Å; R650-T663 VanDerWaalsContact NH2-OG1 3.16Å; T663-F665 HydrophobicContact CG2-CD2 4Å; T663-F665 HydrophobicContact CG2-CE2 3.43Å; T663-F665 VanDerWaalsContact CG2-CE2 3.43Å; T663-F665 HydrophobicContact CG2-CZ 3.75Å
664F72.7Confident66.8Low41 Ų4179.7 Ų79.718%0.1840%0.401CS..EExtended strand (participates in β ladder)trans-116.5128.5175.9-58.8-96.9000108.4T617 V619 R650 T651 K653 R662T617-F664 HydrophobicContact CG2-CB 3.85Å; T617-F664 HydrophobicContact CG2-CD1 3.68Å; T617-F664 HydrophobicContact CG2-CG 4.24Å; V619-F664 HydrophobicContact CG2-CD1 3.28Å; V619-F664 HydrophobicContact CG2-CE1 3.6Å; V619-F664 HydrophobicContact CG2-CG 4.18Å; R650-F664 WeakPolarHBondContact CA-O 3.39Å; T651-F664 PolarHBondContact N-O 2.77Å; T651-F664 PolarHBondContact O-N 2.98Å; T651-F664 WeakPolarHBondContact OG1-CB 3.49Å; K653-F664 HydrophobicContact CB-CE2 4Å; K653-F664 HydrophobicContact CD-CE2 4.1Å; K653-F664 HydrophobicContact CG-CD2 4.45Å; K653-F664 HydrophobicContact CG-CE2 4.11Å; R662-F664 HydrophobicContact CB-CD2 4.39Å; R662-F664 HydrophobicContact CB-CE2 3.58Å; R662-F664 HydrophobicContact CB-CZ 3.9Å
665F78.7Confident68.7Low8 Ų877.4 Ų77.44%0.03538%0.382CS..EExtended strand (participates in β ladder)trans-104.7123.1174.6-66-94.5000108.8T617 V618 R650 T663 V677 I679 P1244T617-F665 CarbonylContact C-O 3.52Å; T617-F665 VanDerWaalsContact CA-O 3.3Å; T617-F665 WeakPolarHBondContact CA-O 3.01Å; V618-F665 HydrophobicContact CB-CB 4.44Å; V618-F665 PolarHBondContact N-O 2.81Å; V618-F665 PolarHBondContact O-N 3.27Å; R650-F665 HydrophobicContact CG-CE1 4.43Å; T663-F665 HydrophobicContact CG2-CD2 4Å; T663-F665 HydrophobicContact CG2-CE2 3.43Å; T663-F665 VanDerWaalsContact CG2-CE2 3.43Å; T663-F665 HydrophobicContact CG2-CZ 3.75Å; F665-V677 HydrophobicContact CB-CG2 4.01Å; F665-V677 HydrophobicContact CD1-CG2 4Å; F665-V677 HydrophobicContact CG-CG2 4.09Å; F665-I679 HydrophobicContact CD2-CD1 3.76Å; F665-I679 HydrophobicContact CD2-CG1 4.06Å; F665-I679 HydrophobicContact CE2-CB 4.49Å; F665-I679 HydrophobicContact CE2-CD1 3.61Å; F665-I679 HydrophobicContact CE2-CG1 3.66Å; F665-I679 HydrophobicContact CE2-CG2 4.18Å; F665-I679 HydrophobicContact CZ-CD1 4.42Å; F665-I679 HydrophobicContact CZ-CG1 3.96Å; F665-I679 HydrophobicContact CZ-CG2 4.33Å; F665-P1244 HydrophobicContact CD1-CG 4.33Å
666H79.7Confident70.5Confident39 Ų3975.5 Ų75.518%0.18138%0.375CS..EExtended strand (participates in β ladder)trans-106123.8178.2-56-66.2000109.2V616 T617 N648 T649 T651V616-H666 WeakPolarHBondContact O-CA 3.15Å; T617-H666 PolarHBondContact OG1-CE1 3.29Å; T617-H666 PolarHBondContact OG1-ND1 2.81Å; N648-H666 WeakPolarHBondContact CA-O 3.42Å; T649-H666 PolarHBondContact N-O 2.67Å; T649-H666 PolarHBondContact O-N 3.09Å; T651-H666 PolarHBondContact OG1-NE2 3.4Å
667L83Confident72.7Confident2 Ų271 Ų711%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-134.1144.4176.659.8146.8000110.5I606 V616 V618 N648 V669 A675 V677I606-L667 HydrophobicContact CB-CD1 4.49Å; I606-L667 HydrophobicContact CD1-CD1 3.71Å; I606-L667 HydrophobicContact CD1-CD2 4.4Å; I606-L667 HydrophobicContact CG1-CD1 4.17Å; V616-L667 HydrophobicContact CB-CG 4.33Å; V616-L667 PolarHBondContact N-O 2.77Å; V616-L667 PolarHBondContact O-N 3.43Å; V618-L667 HydrophobicContact CB-CD2 4.48Å; V618-L667 HydrophobicContact CG2-CD2 3.68Å; N648-L667 WeakPolarHBondContact OD1-CA 2.83Å; N648-L667 VanDerWaalsContact OD1-CB 3.32Å; N648-L667 WeakPolarHBondContact OD1-CB 2.92Å; L667-V669 HydrophobicContact CD1-CG2 3.64Å; L667-V669 HydrophobicContact CG-CG2 4.16Å; L667-A675 HydrophobicContact CD1-CB 3.7Å; L667-V677 HydrophobicContact CD2-CB 4.36Å
668R82.5Confident74.5Confident162 Ų16262 Ų6261%0.61131%0.311SS*.EExtended strand (participates in β ladder)trans-90.8123.6171.3-73.2-174.8178.1170.4-0.7109.7K614 L615K614-R668 WeakPolarHBondContact O-CA 3.49Å; L615-R668 HydrophobicContact CD1-CG 3.68Å
669V85.7Confident76.4Confident1 Ų159.2 Ų59.21%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-112.8111179.1-166.20000109.1I606 N608 E613 K614 V616 L667 A675I606-V669 HydrophobicContact CB-CG2 4.41Å; I606-V669 HydrophobicContact CG2-CG2 4.03Å; N608-V669 HydrophobicContact CB-CB 4.08Å; N608-V669 HydrophobicContact CB-CG1 3.56Å; N608-V669 PolarHBondContact ND2-O 3Å; E613-V669 WeakPolarHBondContact CA-O 2.95Å; K614-V669 PolarHBondContact N-O 2.82Å; K614-V669 PolarHBondContact O-N 2.95Å; V616-V669 HydrophobicContact CB-CG2 4.31Å; V616-V669 HydrophobicContact CG2-CB 4.4Å; V616-V669 HydrophobicContact CG2-CG2 3.74Å; L667-V669 HydrophobicContact CD1-CG2 3.64Å; L667-V669 HydrophobicContact CG-CG2 4.16Å; V669-A675 HydrophobicContact CB-CB 4.46Å; V669-A675 HydrophobicContact CG1-CB 4.06Å; V669-A675 HydrophobicContact CG2-CB 3.9Å
670K86.1Confident78.4Confident142 Ų14251.8 Ų51.862%0.61724%0.244SC*.  trans-57.1153.6-179.6-69.6178.1-177178.60111.5N608 S673N608-K670 PolarHBondContact ND2-O 3.44Å; K670-S673 WeakPolarHBondContact CA-OG 3.4Å; K670-S673 WeakPolarHBondContact CB-OG 3.37Å; K670-S673 PolarHBondContact N-OG 3.22Å; K670-S673 PolarHBondContact O-N 3.41Å; K670-S673 PolarHBondContact O-OG 3.37Å
671P84.2Confident80.4Confident58 Ų5849.5 Ų49.538%0.37722%0.224SC..THydrogen-bonded Turntrans-61.8145.2176.127-35000111.2M610 S611 S673M610-P671 WeakPolarHBondContact O-CB 2.79Å; S611-P671 VanDerWaalsContact O-CB 3.32Å; S611-P671 WeakPolarHBondContact O-CB 3.46Å; P671-S673 PolarHBondContact O-N 3.14Å
672R80.9Confident82.2Confident188 Ų18847 Ų4771%0.70921%0.211SC*.THydrogen-bonded Turntrans51.435.4-179-57.1179.4178.1166.5-0.4113.7N608 M610N608-R672 CarbonylContact O-C 3.58Å; N608-R672 WeakPolarHBondContact O-CA 3.18Å; N608-R672 PolarHBondContact O-N 3.29Å; M610-R672 PolarHBondContact O-N 3.03Å
673S82.3Confident83.6Confident18 Ų1842 Ų4213%0.12619%0.192CC..EExtended strand (participates in β ladder)trans-138.9177.7-176.980.90000111N608 K670 P671N608-S673 CarbonylContact C-O 3.58Å; N608-S673 PolarHBondContact N-O 3.45Å; N608-S673 PolarHBondContact O-N 2.69Å; K670-S673 WeakPolarHBondContact CA-OG 3.4Å; K670-S673 WeakPolarHBondContact CB-OG 3.37Å; K670-S673 PolarHBondContact N-OG 3.22Å; K670-S673 PolarHBondContact O-N 3.41Å; K670-S673 PolarHBondContact O-OG 3.37Å; P671-S673 PolarHBondContact O-N 3.14Å
674S85.3Confident84.7Confident29 Ų2944 Ų4420%0.20320%0.204CC..EExtended strand (participates in β ladder)trans-131.4150.5177.847.50000110.7L81 I606L81-S674 VanDerWaalsContact CD1-OG 3.26Å; L81-S674 WeakPolarHBondContact CD1-OG 3.33Å; I606-S674 CarbonylContact O-C 3.57Å; I606-S674 WeakPolarHBondContact O-CA 3.3Å; I606-S674 WeakPolarHBondContact O-CB 3.24Å
675A85.3Confident85.5Confident22 Ų2245.1 Ų45.118%0.18221%0.214CC..EExtended strand (participates in β ladder)trans-133.7160.6174.500000110I606 L667 V669I606-A675 PolarHBondContact N-O 3.24Å; I606-A675 PolarHBondContact O-N 3.27Å; L667-A675 HydrophobicContact CD1-CB 3.7Å; V669-A675 HydrophobicContact CB-CB 4.46Å; V669-A675 HydrophobicContact CG1-CB 4.06Å; V669-A675 HydrophobicContact CG2-CB 3.9Å
676T84.8Confident86Confident27 Ų2745.9 Ų45.917%0.16622%0.219CC..EExtended strand (participates in β ladder)trans-120.3143.6179.2-60.40000109.4Q603 I604 L605 F678Q603-T676 HydrophobicContact CG-CG2 3.37Å; I604-T676 WeakPolarHBondContact O-CA 3.35Å; L605-T676 HydrophobicContact CD2-CG2 4.09Å; L605-T676 WeakPolarHBondContact CD2-OG1 3.25Å; T676-F678 HydrophobicContact CG2-CD2 4.17Å; T676-F678 HydrophobicContact CG2-CE1 4.5Å; T676-F678 HydrophobicContact CG2-CE2 3.72Å; T676-F678 HydrophobicContact CG2-CZ 3.92Å
677V85.8Confident86.5Confident9 Ų945.4 Ų45.46%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-126.7140.7165.867.60000109.2I604 I606 V618 F665 L667I604-V677 HydrophobicContact CB-CG1 3.78Å; I604-V677 HydrophobicContact CD1-CG1 4.23Å; I604-V677 HydrophobicContact CG2-CG1 4.29Å; I604-V677 PolarHBondContact N-O 3.21Å; I604-V677 PolarHBondContact O-N 3.03Å; I606-V677 HydrophobicContact CD1-CB 4.39Å; I606-V677 HydrophobicContact CD1-CG1 3.84Å; V618-V677 HydrophobicContact CB-CG1 4.4Å; V618-V677 HydrophobicContact CG1-CG1 4.2Å; V618-V677 HydrophobicContact CG2-CG1 4.35Å; F665-V677 HydrophobicContact CB-CG2 4.01Å; F665-V677 HydrophobicContact CD1-CG2 4Å; F665-V677 HydrophobicContact CG-CG2 4.09Å; L667-V677 HydrophobicContact CD2-CB 4.36Å
678F84.7Confident86.9Confident28 Ų2851.4 Ų51.412%0.12326%0.256CS..EExtended strand (participates in β ladder)trans-107.2132.3176-66.1-88.3000110.2A601 L602 Q603 T676 C1238A601-F678 HydrophobicContact CB-CD1 4.09Å; L602-F678 WeakPolarHBondContact O-CA 3.46Å; Q603-F678 HydrophobicContact CB-CD1 3.86Å; Q603-F678 HydrophobicContact CB-CE1 3.62Å; Q603-F678 HydrophobicContact CB-CZ 4.49Å; Q603-F678 HydrophobicContact CG-CD1 4.03Å; Q603-F678 HydrophobicContact CG-CE1 3.48Å; Q603-F678 VanDerWaalsContact CG-CE1 3.48Å; Q603-F678 HydrophobicContact CG-CZ 3.87Å; T676-F678 HydrophobicContact CG2-CD2 4.17Å; T676-F678 HydrophobicContact CG2-CE1 4.5Å; T676-F678 HydrophobicContact CG2-CE2 3.72Å; T676-F678 HydrophobicContact CG2-CZ 3.92Å; F678-C1238 HydrophobicContact CB-CB 4.44Å; F678-C1238 WeakPolarHBondContact CB-SG 3.48Å
679I86.2Confident87.3Confident1 Ų144 Ų441%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-123108.3176.4-57-175.7000108.6L602 I604 L620 F630 F665 I681L602-I679 HydrophobicContact CB-CB 4.38Å; L602-I679 WeakPolarHBondContact CB-O 3.27Å; L602-I679 PolarHBondContact N-O 2.72Å; L602-I679 PolarHBondContact O-N 3.48Å; I604-I679 HydrophobicContact CD1-CD1 3.53Å; I604-I679 HydrophobicContact CD1-CG1 4.05Å; L620-I679 HydrophobicContact CB-CD1 3.99Å; L620-I679 HydrophobicContact CD2-CG2 4.09Å; F630-I679 HydrophobicContact CD1-CG2 4.01Å; F630-I679 HydrophobicContact CE1-CG2 3.79Å; F665-I679 HydrophobicContact CD2-CD1 3.76Å; F665-I679 HydrophobicContact CD2-CG1 4.06Å; F665-I679 HydrophobicContact CE2-CB 4.49Å; F665-I679 HydrophobicContact CE2-CD1 3.61Å; F665-I679 HydrophobicContact CE2-CG1 3.66Å; F665-I679 HydrophobicContact CE2-CG2 4.18Å; F665-I679 HydrophobicContact CZ-CD1 4.42Å; F665-I679 HydrophobicContact CZ-CG1 3.96Å; F665-I679 HydrophobicContact CZ-CG2 4.33Å; I679-I681 HydrophobicContact CG2-CG2 4.17Å; I679-I681 PolarHBondContact O-N 3.31Å
680P87Confident87.5Confident5 Ų550.3 Ų50.33%0.03226%0.256CS..EExtended strand (participates in β ladder)trans-76.1122.1-177.932.6-36.1000110.8I600 V631 I1234 C1242 W1243I600-P680 CarbonylContact O-C 3.53Å; I600-P680 VanDerWaalsContact O-CA 3.28Å; I600-P680 WeakPolarHBondContact O-CA 3.37Å; V631-P680 HydrophobicContact CB-CB 3.9Å; V631-P680 HydrophobicContact CB-CG 4.18Å; V631-P680 HydrophobicContact CG2-CB 4.21Å; V631-P680 PolarHBondContact N-O 3.49Å; P680-I1234 HydrophobicContact CB-CD1 4.49Å; P680-I1234 HydrophobicContact CB-CG1 4.04Å; P680-C1242 HydrophobicContact CG-CB 4.44Å; P680-W1243 HydrophobicContact CG-CZ2 4.09Å
681I89.3Confident87.8Confident1 Ų143.5 Ų43.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-127150.1179.961.9172.1000111.5M599 I600 L602 L620 F628 D629 F630 I679 L691M599-I681 WeakPolarHBondContact CA-O 3.46Å; I600-I681 HydrophobicContact CB-CG1 4.21Å; I600-I681 PolarHBondContact N-O 3.29Å; I600-I681 PolarHBondContact O-N 2.99Å; L602-I681 HydrophobicContact CB-CD1 4.44Å; L602-I681 HydrophobicContact CB-CG1 4.47Å; L602-I681 HydrophobicContact CD2-CD1 4.43Å; L620-I681 HydrophobicContact CD2-CG2 3.66Å; F628-I681 HydrophobicContact CD2-CB 4.19Å; F628-I681 HydrophobicContact CD2-CG2 4.02Å; F628-I681 HydrophobicContact CE2-CG2 4.23Å; D629-I681 CarbonylContact O-C 3.52Å; D629-I681 VanDerWaalsContact O-CA 3.3Å; D629-I681 WeakPolarHBondContact O-CA 3.24Å; F630-I681 HydrophobicContact CD1-CG2 4.17Å; F630-I681 HydrophobicContact CE1-CG2 4.4Å; I679-I681 HydrophobicContact CG2-CG2 4.17Å; I679-I681 PolarHBondContact O-N 3.31Å; I681-L691 HydrophobicContact CD1-CD1 4.39Å; I681-L691 HydrophobicContact CD1-CD2 4.13Å
682R91.2Very high88.1Confident92 Ų9241.9 Ų41.935%0.34721%0.214SC..EExtended strand (participates in β ladder)trans-119.9112173.3179.8178.8-73.8135.5-6.3109.6E598 M599 F628 D629 V631 T684 D1204E598-R682 WeakPolarHBondContact O-CA 2.97Å; E598-R682 WeakPolarHBondContact O-CG 3.38Å; M599-R682 HydrophobicContact CG-CB 4.33Å; M599-R682 PolarHBondContact SD-NH2 3.04Å; F628-R682 CarbonylContact C-O 3.56Å; F628-R682 VanDerWaalsContact CA-O 3.29Å; F628-R682 WeakPolarHBondContact CA-O 3.31Å; D629-R682 PolarHBondContact N-O 2.99Å; D629-R682 PolarHBondContact O-N 2.87Å; V631-R682 HydrophobicContact CG2-CB 4.23Å; R682-T684 PolarHBondContact O-N 2.93Å; R682-D1204 IonicContact NH2-OD2 3.84Å
683P93.2Very high88.6Confident0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-64.1130.9171.9-19.933.1000111.3V594 G597 E598 I600 I689 L708 V710V594-P683 HydrophobicContact CG2-CG 4.03Å; G597-P683 PolarHBondContact N-O 2.88Å; E598-P683 WeakPolarHBondContact O-CD 3.46Å; I600-P683 HydrophobicContact CD1-CG 4.04Å; P683-I689 HydrophobicContact CB-CD1 4.01Å; P683-L708 HydrophobicContact CG-CD2 4.21Å; P683-V710 HydrophobicContact CB-CG1 3.95Å; P683-V710 HydrophobicContact CB-CG2 3.8Å; P683-V710 HydrophobicContact CG-CG2 4.3Å
684T89.9Confident89Confident52 Ų5234.7 Ų34.732%0.31919%0.186SC..  trans-107.6-22.7-178.556.10000113.2R596 G627 D629 R682R596-T684 WeakPolarHBondContact CD-O 3.37Å; G627-T684 PolarHBondContact O-N 2.81Å; G627-T684 PolarHBondContact O-OG1 2.84Å; G627-T684 VanDerWaalsContact O-OG1 3.05Å; D629-T684 HydrophobicContact CB-CG2 4.39Å; D629-T684 VanDerWaalsContact OD2-CG2 3.29Å; D629-T684 WeakPolarHBondContact OD2-CG2 3.18Å; R682-T684 PolarHBondContact O-N 2.93Å
685T89.6Confident89.3Confident64 Ų6433.3 Ų33.339%0.39318%0.176SC..SBendtrans-117.2140.5-179.656.90000112.1G627 V710G627-T685 WeakPolarHBondContact CA-OG1 3.46Å; G627-T685 PolarHBondContact O-N 3.14Å; G627-T685 PolarHBondContact O-OG1 3.12Å; T685-V710 WeakPolarHBondContact O-CG1 3.27Å
686V90.1Very high89.5Confident23 Ų2335.4 Ų35.414%0.13918%0.181CC..SBendtrans-77.5136.9173.8-179.50000110.5R596 V710 A712 D748 R751R596-V686 HydrophobicContact CB-CG2 4.04Å; R596-V686 HydrophobicContact CG-CG2 4.48Å; V686-V710 WeakPolarHBondContact CG1-O 3.43Å; V686-A712 HydrophobicContact CG1-CB 4.1Å; V686-A712 HydrophobicContact CG2-CB 3.92Å; V686-D748 HydrophobicContact CG2-CB 4.44Å; V686-R751 PolarHBondContact O-NH2 3.28Å
687G90Very high89.6Confident29 Ų2935.3 Ų35.330%0.29918%0.183SC..EExtended strand (participates in β ladder)trans127.5-156.8179.900000112.5V710G687-V710 PolarHBondContact N-O 2.92Å; G687-V710 WeakPolarHBondContact O-CA 3.27Å; G687-V710 WeakPolarHBondContact O-CB 3.23Å; G687-V710 PolarHBondContact O-N 2.92Å
688I91.1Very high89.5Confident128 Ų12840.9 Ų40.966%0.65621%0.213SC*.EExtended strand (participates in β ladder)trans-92.7116.1179.6-58.9174000109P707I688-P707 HydrophobicContact CG2-CB 3.56Å
689I90.7Very high89.5Confident6 Ų643 Ų433%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-97.6130.9172.9-65.7178.7000108.8S626 G627 F628 P683 L691 P707 L708 V710S626-I689 WeakPolarHBondContact O-CG2 3.5Å; G627-I689 WeakPolarHBondContact O-CD1 3.32Å; F628-I689 HydrophobicContact CD1-CG2 3.8Å; F628-I689 HydrophobicContact CE1-CG2 4.33Å; P683-I689 HydrophobicContact CB-CD1 4.01Å; I689-L691 HydrophobicContact CG2-CD2 4Å; I689-P707 CarbonylContact O-C 3.55Å; I689-P707 WeakPolarHBondContact O-CA 3.5Å; I689-L708 HydrophobicContact CB-CB 4.44Å; I689-L708 PolarHBondContact N-O 3.37Å; I689-L708 PolarHBondContact O-N 2.88Å; I689-V710 HydrophobicContact CD1-CG2 3.58Å; I689-V710 HydrophobicContact CG1-CG2 3.98Å
690K90.5Very high89.5Confident134 Ų13443.6 Ų43.658%0.58323%0.23SC*.EExtended strand (participates in β ladder)trans-90.6118.5174.4-68.2176.5158.5-141.70110.4E705K690-E705 HydrophobicContact CB-CG 4.24Å; K690-E705 WeakPolarHBondContact CD-OE1 3.39Å; K690-E705 WeakPolarHBondContact CE-OE1 3.48Å; K690-E705 IonicContact NZ-OE1 3.35Å; K690-E705 PolarHBondContact NZ-OE1 3.45Å
691L91.2Very high89.6Confident0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-96.7110.4176.8-60.6178.7000109.7L588 L590 L602 L620 F628 I681 I689 E705 V706 L708L588-L691 HydrophobicContact CD2-CB 4.39Å; L588-L691 HydrophobicContact CD2-CD1 4.43Å; L590-L691 HydrophobicContact CD1-CD1 4.18Å; L590-L691 HydrophobicContact CD2-CD1 4.02Å; L602-L691 HydrophobicContact CD1-CD1 4.23Å; L602-L691 HydrophobicContact CD2-CD1 4.36Å; L620-L691 HydrophobicContact CD1-CB 4.42Å; L620-L691 HydrophobicContact CD1-CD2 4.46Å; F628-L691 HydrophobicContact CD1-CD2 4.08Å; F628-L691 HydrophobicContact CE1-CD2 3.83Å; F628-L691 HydrophobicContact CZ-CD2 4.32Å; I681-L691 HydrophobicContact CD1-CD1 4.39Å; I681-L691 HydrophobicContact CD1-CD2 4.13Å; I689-L691 HydrophobicContact CG2-CD2 4Å; L691-E705 VanDerWaalsContact O-CA 3.31Å; L691-E705 WeakPolarHBondContact O-CA 3.43Å; L691-V706 HydrophobicContact CB-CG2 4.41Å; L691-V706 PolarHBondContact N-O 2.98Å; L691-V706 PolarHBondContact O-N 2.97Å; L691-V706 VanDerWaalsContact O-N 3.16Å; L691-L708 HydrophobicContact CD1-CB 3.97Å; L691-L708 HydrophobicContact CD1-CD2 4.24Å; L691-L708 HydrophobicContact CG-CB 4.19Å
692L91Very high89.7Confident23 Ų2343.8 Ų43.812%0.1223%0.232CC..EExtended strand (participates in β ladder)trans-99.6107.9174.717662.9000110.4I522 N621 I704 E705I522-L692 HydrophobicContact CD1-CD1 4.17Å; I522-L692 HydrophobicContact CG1-CD1 4.35Å; I522-L692 HydrophobicContact CG2-CD1 3.81Å; N621-L692 HydrophobicContact CB-CB 4.25Å; N621-L692 HydrophobicContact CB-CD2 4.16Å; N621-L692 HydrophobicContact CB-CG 4.24Å; N621-L692 PolarHBondContact N-O 3.14Å; L692-I704 WeakPolarHBondContact CA-O 3.44Å; L692-E705 HydrophobicContact CD1-CB 4.21Å
693V91.2Very high89.7Confident0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-106.2135.8175.6-1780000109.5I586 L588 I604 V618 V619 L620 A703 I704I586-V693 HydrophobicContact CD1-CB 4.04Å; I586-V693 HydrophobicContact CD1-CG1 3.65Å; L588-V693 HydrophobicContact CD1-CB 4.23Å; L588-V693 HydrophobicContact CD1-CG2 4.05Å; L588-V693 HydrophobicContact CD2-CG2 3.86Å; L588-V693 HydrophobicContact CG-CG2 4.38Å; I604-V693 HydrophobicContact CD1-CG1 3.8Å; I604-V693 HydrophobicContact CD1-CG2 4.07Å; I604-V693 HydrophobicContact CG1-CG1 4.44Å; I604-V693 HydrophobicContact CG2-CG1 4.28Å; V618-V693 HydrophobicContact CG1-CG1 3.86Å; V619-V693 WeakPolarHBondContact O-CA 3.32Å; L620-V693 HydrophobicContact CD1-CG2 3.68Å; V693-A703 CarbonylContact O-C 3.49Å; V693-A703 WeakPolarHBondContact O-CA 3.46Å; V693-I704 HydrophobicContact CB-CG2 4.1Å; V693-I704 PolarHBondContact N-O 3.06Å; V693-I704 PolarHBondContact O-N 3.13Å
694K91.1Very high89.7Confident55 Ų5539.8 Ų39.824%0.23922%0.218CC..EExtended strand (participates in β ladder)trans-124.4138.7174.7-53.6-169.3178.3-172.60109.9P520 V618 V619 F696 A703P520-K694 HydrophobicContact CG-CD 4.2Å; V618-K694 CarbonylContact C-O 3.54Å; V618-K694 WeakPolarHBondContact CA-O 3.13Å; V619-K694 PolarHBondContact N-O 2.97Å; V619-K694 PolarHBondContact O-N 2.87Å; K694-F696 HydrophobicContact CB-CD2 4.4Å; K694-F696 HydrophobicContact CB-CE2 3.47Å; K694-F696 VanDerWaalsContact CB-CE2 3.47Å; K694-F696 HydrophobicContact CB-CZ 3.74Å; K694-F696 HydrophobicContact CD-CE2 4.37Å; K694-F696 HydrophobicContact CD-CZ 3.92Å; K694-F696 HydrophobicContact CG-CZ 4.47Å; K694-A703 HydrophobicContact CB-CB 4.3Å; K694-A703 HydrophobicContact CG-CB 3.85Å
695A90.4Very high89.8Confident0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-127.3134174.600000109.9F584 I586 V616 T617 V618 A701 D702F584-A695 HydrophobicContact CE1-CB 4.34Å; F584-A695 HydrophobicContact CZ-CB 4.26Å; I586-A695 HydrophobicContact CD1-CB 4.27Å; I586-A695 HydrophobicContact CG2-CB 3.51Å; V616-A695 HydrophobicContact CG1-CB 4Å; T617-A695 CarbonylContact O-C 3.52Å; T617-A695 WeakPolarHBondContact O-CA 3.42Å; V618-A695 HydrophobicContact CG2-CB 4.14Å; A695-A701 WeakPolarHBondContact O-CA 3.43Å; A695-D702 PolarHBondContact N-O 3.01Å; A695-D702 PolarHBondContact O-N 3.12Å
696F90.5Very high89.8Confident67 Ų6737.6 Ų37.629%0.29420%0.201SC..EExtended strand (participates in β ladder)trans-131.2138.9-176.2-53.5-92.7000110.2P520 V616 T617 V619 K694 A701P520-F696 HydrophobicContact CB-CD1 4.39Å; P520-F696 HydrophobicContact CB-CE1 3.68Å; P520-F696 HydrophobicContact CB-CZ 4.14Å; P520-F696 HydrophobicContact CG-CD1 4.47Å; P520-F696 HydrophobicContact CG-CE1 3.38Å; P520-F696 HydrophobicContact CG-CZ 3.71Å; V616-F696 CarbonylContact C-O 3.58Å; V616-F696 VanDerWaalsContact CA-O 3.31Å; V616-F696 WeakPolarHBondContact CA-O 3.32Å; T617-F696 PolarHBondContact N-O 2.93Å; T617-F696 PolarHBondContact O-N 3.01Å; V619-F696 HydrophobicContact CG2-CE2 4.49Å; K694-F696 HydrophobicContact CB-CD2 4.4Å; K694-F696 HydrophobicContact CB-CE2 3.47Å; K694-F696 VanDerWaalsContact CB-CE2 3.47Å; K694-F696 HydrophobicContact CB-CZ 3.74Å; K694-F696 HydrophobicContact CD-CE2 4.37Å; K694-F696 HydrophobicContact CD-CZ 3.92Å; K694-F696 HydrophobicContact CG-CZ 4.47Å; F696-A701 HydrophobicContact CD1-CB 4.11Å
697A87.6Confident90Very high24 Ų2440.6 Ų40.620%0.19822%0.22CC..  trans-124.1-174.4164.800000108.8K614 A700K614-A697 HydrophobicContact CB-CB 4.19Å; K614-A697 HydrophobicContact CD-CB 4.11Å; K614-A697 HydrophobicContact CG-CB 4.41Å; A697-A700 HydrophobicContact CB-CB 4.29Å; A697-A700 PolarHBondContact N-O 2.86Å
698D82.7Confident90.2Very high127 Ų12739.3 Ų39.368%0.67921%0.207SC*.SBendtrans-59.3-42.1177.755-22.1000113.6K614K614-D698 VanDerWaalsContact CD-OD1 3.32Å; K614-D698 WeakPolarHBondContact CD-OD1 3.45Å; K614-D698 IonicContact NZ-OD1 3.91Å; K614-D698 PolarHBondContact NZ-OD1 2.84Å; K614-D698 IonicContact NZ-OD2 2.78Å; K614-D698 PolarHBondContact NZ-OD2 2.77Å
699D84.9Confident90.3Very high73 Ų7336.2 Ų36.239%0.3919%0.191SC..SBendtrans-128.17.2-176.865.92.2000113.7K614K614-D699 WeakPolarHBondContact CE-OD1 3.36Å; K614-D699 IonicContact NZ-OD1 3.66Å; K614-D699 PolarHBondContact NZ-OD1 3.16Å; K614-D699 IonicContact NZ-OD2 3.98Å; K614-D699 PolarHBondContact NZ-OD2 2.93Å
700A86.6Confident90.6Very high12 Ų1236 Ų3610%0.09919%0.19CC..  trans-139.2145-175.500000111.7F584 M610 A697F584-A700 HydrophobicContact CB-CB 3.9Å; F584-A700 HydrophobicContact CD1-CB 3.7Å; F584-A700 HydrophobicContact CD2-CB 4.41Å; F584-A700 HydrophobicContact CE1-CB 4.34Å; F584-A700 HydrophobicContact CG-CB 3.74Å; M610-A700 HydrophobicContact SD-CB 3.96Å; A697-A700 HydrophobicContact CB-CB 4.29Å; A697-A700 PolarHBondContact N-O 2.86Å
701A89.1Confident90.7Very high11 Ų1132 Ų329%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-151.1145.5175.900000112P520 R582 A695 F696P520-A701 HydrophobicContact CB-CB 4.08Å; R582-A701 PolarHBondContact NH2-O 2.86Å; A695-A701 WeakPolarHBondContact O-CA 3.43Å; F696-A701 HydrophobicContact CD1-CB 4.11Å
702D91.9Very high90.8Very high0 Ų032.4 Ų32.40%018%0.177CC..EExtended strand (participates in β ladder)trans-144.9150.5173-168.737.2000110.8R523 R582 F584 F585 I586 A695R523-D702 IonicContact CZ-OD2 3.98Å; R523-D702 IonicContact NE-OD1 2.9Å; R523-D702 PolarHBondContact NE-OD1 2.71Å; R523-D702 IonicContact NE-OD2 2.62Å; R523-D702 PolarHBondContact NE-OD2 3.37Å; R523-D702 IonicContact NH2-OD1 3.89Å; R523-D702 IonicContact NH2-OD2 2.76Å; R523-D702 PolarHBondContact NH2-OD2 3.31Å; R582-D702 IonicContact CZ-OD1 3.01Å; R582-D702 IonicContact NH1-OD1 3.86Å; R582-D702 PolarHBondContact NH1-OD1 2.72Å; F584-D702 HydrophobicContact CD1-CB 4.39Å; F584-D702 HydrophobicContact CE1-CB 4.4Å; F585-D702 WeakPolarHBondContact CA-OD2 3.45Å; F585-D702 WeakPolarHBondContact CB-OD2 3.24Å; I586-D702 HydrophobicContact CG1-CB 4.37Å; I586-D702 WeakPolarHBondContact CG1-OD2 3.23Å; I586-D702 PolarHBondContact N-OD2 3.32Å; A695-D702 PolarHBondContact N-O 3.01Å; A695-D702 PolarHBondContact O-N 3.12Å
703A91.5Very high90.8Very high0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-142.7148.817400000110.8P520 R521 I522 R523 V693 K694P520-A703 HydrophobicContact CB-CB 4.24Å; R521-A703 PolarHBondContact O-N 3.41Å; R521-A703 VanDerWaalsContact O-N 3.07Å; I522-A703 WeakPolarHBondContact CA-O 3.2Å; I522-A703 HydrophobicContact CB-CB 4.33Å; I522-A703 HydrophobicContact CG1-CB 3.88Å; R523-A703 WeakPolarHBondContact CB-O 3.33Å; R523-A703 PolarHBondContact N-O 3.08Å; V693-A703 CarbonylContact O-C 3.49Å; V693-A703 WeakPolarHBondContact O-CA 3.46Å; K694-A703 HydrophobicContact CB-CB 4.3Å; K694-A703 HydrophobicContact CG-CB 3.85Å
704I91.3Very high90.8Very high8 Ų834 Ų344%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-140.1135.7-178.3-173.5166.8000109.9R523 F526 I586 L588 L692 V693 V706R523-I704 WeakPolarHBondContact O-CA 3.33Å; F526-I704 HydrophobicContact CE1-CD1 4.26Å; F526-I704 HydrophobicContact CE2-CD1 4.08Å; F526-I704 HydrophobicContact CE2-CG1 4.04Å; F526-I704 HydrophobicContact CZ-CD1 3.52Å; F526-I704 HydrophobicContact CZ-CG1 3.71Å; I586-I704 HydrophobicContact CD1-CB 4.46Å; I586-I704 HydrophobicContact CD1-CG2 3.59Å; I586-I704 HydrophobicContact CG1-CB 4.45Å; I586-I704 HydrophobicContact CG1-CG2 3.86Å; L588-I704 HydrophobicContact CD1-CG2 3.29Å; L692-I704 WeakPolarHBondContact CA-O 3.44Å; V693-I704 HydrophobicContact CB-CG2 4.1Å; V693-I704 PolarHBondContact N-O 3.06Å; V693-I704 PolarHBondContact O-N 3.13Å; I704-V706 HydrophobicContact CD1-CG1 3.92Å; I704-V706 HydrophobicContact CG1-CG1 3.88Å
705E92.1Very high90.6Very high49 Ų4931.9 Ų31.923%0.22918%0.177CC..EExtended strand (participates in β ladder)trans-116.5119.1169.7175.6178124.500108.7I522 R523 V524 K690 L691 L692I522-E705 HydrophobicContact CG2-CB 4.14Å; R523-E705 PolarHBondContact O-N 3.47Å; V524-E705 HydrophobicContact CG1-CB 3.82Å; V524-E705 HydrophobicContact CG1-CG 4.39Å; K690-E705 HydrophobicContact CB-CG 4.24Å; K690-E705 WeakPolarHBondContact CD-OE1 3.39Å; K690-E705 WeakPolarHBondContact CE-OE1 3.48Å; K690-E705 IonicContact NZ-OE1 3.35Å; K690-E705 PolarHBondContact NZ-OE1 3.45Å; L691-E705 VanDerWaalsContact O-CA 3.31Å; L691-E705 WeakPolarHBondContact O-CA 3.43Å; L692-E705 HydrophobicContact CD1-CB 4.21Å
706V91.1Very high90.4Very high21 Ų2134.6 Ų34.613%0.12720%0.195CC..EExtended strand (participates in β ladder)trans-129.9145.2179.1-74.80000110.9F526 L588 L590 L691 I704F526-V706 HydrophobicContact CD2-CG1 4.45Å; F526-V706 HydrophobicContact CE2-CG1 4.02Å; L588-V706 HydrophobicContact CB-CG2 4.28Å; L588-V706 HydrophobicContact CD2-CG2 3.5Å; L588-V706 HydrophobicContact CG-CG2 4.36Å; L590-V706 HydrophobicContact CD1-CB 4.39Å; L590-V706 HydrophobicContact CD1-CG2 3.63Å; L691-V706 HydrophobicContact CB-CG2 4.41Å; L691-V706 PolarHBondContact N-O 2.98Å; L691-V706 PolarHBondContact O-N 2.97Å; L691-V706 VanDerWaalsContact O-N 3.16Å; I704-V706 HydrophobicContact CD1-CG1 3.92Å; I704-V706 HydrophobicContact CG1-CG1 3.88Å
707P93Very high90.1Very high85 Ų8531.4 Ų31.455%0.55218%0.181SC*.EExtended strand (participates in β ladder)trans-77135.2174.931.1-32.8000111.2I688 I689I688-P707 HydrophobicContact CG2-CB 3.56Å; I689-P707 CarbonylContact O-C 3.55Å; I689-P707 WeakPolarHBondContact O-CA 3.5Å
708L94.1Very high89.9Confident3 Ų333.8 Ų33.82%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-106.2122164.4174.865.6000108.1L590 V594 I600 P683 I689 L691 V710L590-L708 HydrophobicContact CD2-CD1 4.33Å; V594-L708 HydrophobicContact CG2-CD1 3.99Å; V594-L708 HydrophobicContact CG2-CD2 4.22Å; V594-L708 HydrophobicContact CG2-CG 4.17Å; I600-L708 HydrophobicContact CD1-CD1 4.33Å; I600-L708 HydrophobicContact CD1-CD2 3.84Å; P683-L708 HydrophobicContact CG-CD2 4.21Å; I689-L708 HydrophobicContact CB-CB 4.44Å; I689-L708 PolarHBondContact N-O 3.37Å; I689-L708 PolarHBondContact O-N 2.88Å; L691-L708 HydrophobicContact CD1-CB 3.97Å; L691-L708 HydrophobicContact CD1-CD2 4.24Å; L691-L708 HydrophobicContact CG-CB 4.19Å; L708-V710 HydrophobicContact CD2-CG2 4.38Å; L708-V710 HydrophobicContact CG-CG2 4.26Å
709I94.9Very high89.9Confident62 Ų6229.6 Ų29.632%0.31816%0.162SC..EExtended strand (participates in β ladder)trans-84.9118.5177.7-58.3174.5000108.7S593 V594 E711S593-I709 VanDerWaalsContact CA-O 3.28Å; S593-I709 WeakPolarHBondContact CA-O 3.49Å; V594-I709 PolarHBondContact N-O 3.31Å; I709-E711 HydrophobicContact CG2-CG 4.38Å
710V95.5Very high89.8Confident3 Ų327.5 Ų27.52%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-110.1114.2176.2-1710000109.4V594 R596 P683 T685 V686 G687 I689 L708V594-V710 HydrophobicContact CG2-CG2 4.05Å; V594-V710 CarbonylContact O-C 3.56Å; V594-V710 WeakPolarHBondContact O-CA 3.24Å; R596-V710 HydrophobicContact CB-CG1 4.32Å; P683-V710 HydrophobicContact CB-CG1 3.95Å; P683-V710 HydrophobicContact CB-CG2 3.8Å; P683-V710 HydrophobicContact CG-CG2 4.3Å; T685-V710 WeakPolarHBondContact O-CG1 3.27Å; V686-V710 WeakPolarHBondContact CG1-O 3.43Å; G687-V710 PolarHBondContact N-O 2.92Å; G687-V710 WeakPolarHBondContact O-CA 3.27Å; G687-V710 WeakPolarHBondContact O-CB 3.23Å; G687-V710 PolarHBondContact O-N 2.92Å; I689-V710 HydrophobicContact CD1-CG2 3.58Å; I689-V710 HydrophobicContact CG1-CG2 3.98Å; L708-V710 HydrophobicContact CD2-CG2 4.38Å; L708-V710 HydrophobicContact CG-CG2 4.26Å
711E93.7Very high89.6Confident50 Ų5029.9 Ų29.923%0.23416%0.159CC..EExtended strand (participates in β ladder)trans-90.9157.1174.7-63.2-176.7159.300110.5V594 K595 R596 I709 K1173V594-E711 PolarHBondContact O-N 2.59Å; K595-E711 VanDerWaalsContact CA-O 3.29Å; K595-E711 WeakPolarHBondContact CA-O 3.1Å; K595-E711 HydrophobicContact CG-CB 4.47Å; R596-E711 PolarHBondContact N-O 3.4Å; I709-E711 HydrophobicContact CG2-CG 4.38Å; E711-K1173 IonicContact OE1-NZ 3.05Å; E711-K1173 PolarHBondContact OE1-NZ 3.3Å
712A93.1Very high89.4Confident8 Ų829.7 Ų29.77%0.06616%0.157CC..PPolyproline II helixtrans-82.6152.1169.600000110.2V686 V746 N1099V686-A712 HydrophobicContact CG1-CB 4.1Å; V686-A712 HydrophobicContact CG2-CB 3.92Å; A712-V746 HydrophobicContact CB-CG1 4.36Å; A712-N1099 HydrophobicContact CB-CB 4.23Å; A712-N1099 PolarHBondContact O-ND2 3.17Å; A712-N1099 VanDerWaalsContact O-ND2 3.09Å
713E90.8Very high89Confident46 Ų4630.4 Ų30.422%0.21516%0.161CC..SBendtrans-65.7167.7167.868.2-83.8-160.900112.2R596 V746 N1099R596-E713 IonicContact CZ-OE1 3.13Å; R596-E713 IonicContact NE-OE1 3.6Å; R596-E713 IonicContact NE-OE2 2.75Å; R596-E713 IonicContact NH2-OE1 2.65Å; R596-E713 PolarHBondContact NH2-OE1 2.79Å; R596-E713 IonicContact NH2-OE2 3.95Å; E713-V746 HydrophobicContact CG-CG1 3.82Å; E713-V746 HydrophobicContact CG-CG2 4.25Å; E713-V746 VanDerWaalsContact OE1-CG1 3.24Å; E713-V746 WeakPolarHBondContact OE1-CG1 3.41Å; E713-N1099 WeakPolarHBondContact O-CB 3.25Å; E713-N1099 PolarHBondContact O-ND2 3.49Å
714G90.3Very high88.6Confident11 Ų1132.1 Ų32.111%0.11317%0.17CC..SBendtrans76.4-167.8179.500000113.9N1099 V1100 N1209G714-N1099 PolarHBondContact O-ND2 3.03Å; G714-V1100 CarbonylContact C-O 3.5Å; G714-V1100 VanDerWaalsContact CA-O 3.31Å; G714-V1100 WeakPolarHBondContact CA-O 3.23Å; G714-N1209 PolarHBondContact O-ND2 3.5Å
715F87.4Confident88.3Confident9 Ų931.8 Ų31.84%0.03917%0.168CC..EExtended strand (participates in β ladder)trans-101.5127.4-171.5-57.7-87.4000111.5N1099 V1100 L1103 N1209 E1223 D1225F715-N1099 CarbonylContact O-C 3.56Å; F715-N1099 WeakPolarHBondContact O-CA 3.43Å; F715-V1100 HydrophobicContact CB-CG2 4.27Å; F715-V1100 PolarHBondContact N-O 2.81Å; F715-V1100 PolarHBondContact O-N 3.01Å; F715-L1103 HydrophobicContact CB-CD1 3.45Å; F715-L1103 VanDerWaalsContact CB-CD1 3.45Å; F715-L1103 HydrophobicContact CB-CG 3.9Å; F715-L1103 HydrophobicContact CD1-CD1 4.13Å; F715-L1103 HydrophobicContact CD2-CD1 4.27Å; F715-L1103 HydrophobicContact CD2-CG 4.16Å; F715-L1103 HydrophobicContact CG-CD1 3.69Å; F715-L1103 HydrophobicContact CG-CG 4.07Å; F715-N1209 HydrophobicContact CD1-CB 4.26Å; F715-N1209 HydrophobicContact CE1-CB 3.99Å; F715-E1223 HydrophobicContact CD1-CB 3.98Å; F715-E1223 WeakPolarHBondContact CD1-OE2 3.47Å; F715-E1223 HydrophobicContact CE1-CB 3.87Å; F715-D1225 HydrophobicContact CZ-CB 4.24Å
716P86.9Confident87.8Confident57 Ų5731.8 Ų31.837%0.3717%0.169SC..EExtended strand (participates in β ladder)trans-74.4127.6-178.830.5-34.5000112F718P716-F718 HydrophobicContact CB-CE2 3.88Å; P716-F718 HydrophobicContact CB-CZ 3.95Å; P716-F718 HydrophobicContact CG-CE2 4.33Å
717V84.1Confident87.4Confident1 Ų131 Ų311%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-114.4144.7172.9-600000110.2Y719 W973 R1097 Y1098 V1100 L1103V717-Y719 HydrophobicContact CB-CE2 4.32Å; V717-Y719 HydrophobicContact CG2-CE2 3.87Å; V717-W973 HydrophobicContact CB-CD2 3.92Å; V717-W973 HydrophobicContact CB-CE3 3.58Å; V717-W973 HydrophobicContact CB-CG 4.39Å; V717-W973 HydrophobicContact CB-CZ3 4.01Å; V717-W973 HydrophobicContact CG1-CD2 3.57Å; V717-W973 HydrophobicContact CG1-CE3 3.49Å; V717-W973 VanDerWaalsContact CG1-CE3 3.49Å; V717-W973 HydrophobicContact CG1-CG 4.24Å; V717-W973 HydrophobicContact CG1-CH2 3.89Å; V717-W973 HydrophobicContact CG1-CZ2 4Å; V717-W973 HydrophobicContact CG1-CZ3 3.64Å; V717-R1097 VanDerWaalsContact O-CA 3.23Å; V717-R1097 WeakPolarHBondContact O-CA 3.34Å; V717-R1097 WeakPolarHBondContact O-CB 3.31Å; V717-Y1098 HydrophobicContact CG2-CD1 4.08Å; V717-Y1098 HydrophobicContact CG2-CD2 3.52Å; V717-Y1098 HydrophobicContact CG2-CE1 3.96Å; V717-Y1098 HydrophobicContact CG2-CE2 3.41Å; V717-Y1098 VanDerWaalsContact CG2-CE2 3.41Å; V717-Y1098 HydrophobicContact CG2-CG 3.88Å; V717-Y1098 VanDerWaalsContact CG2-O 3.27Å; V717-Y1098 WeakPolarHBondContact CG2-O 3.46Å; V717-Y1098 PolarHBondContact N-O 2.75Å; V717-Y1098 PolarHBondContact O-N 2.82Å; V717-Y1098 VanDerWaalsContact O-N 3.13Å; V717-V1100 HydrophobicContact CG1-CG1 4.45Å; V717-V1100 HydrophobicContact CG1-CG2 3.95Å; V717-V1100 HydrophobicContact CG2-CG1 4.2Å; V717-L1103 HydrophobicContact CG1-CD2 4.23Å
718F82.7Confident86.4Confident73 Ų7332.8 Ų32.832%0.3217%0.166SC..EExtended strand (participates in β ladder)trans-133.1138.7-174.3-56-91.6000110.2P716 R773 R1097P716-F718 HydrophobicContact CB-CE2 3.88Å; P716-F718 HydrophobicContact CB-CZ 3.95Å; P716-F718 HydrophobicContact CG-CE2 4.33Å; F718-R773 VanDerWaalsContact CZ-NH1 3.34Å; F718-R1097 HydrophobicContact CD1-CB 3.47Å; F718-R1097 VanDerWaalsContact CD1-CB 3.47Å; F718-R1097 HydrophobicContact CD1-CG 4.3Å; F718-R1097 HydrophobicContact CE1-CB 3.89Å; F718-R1097 VanDerWaalsContact CE1-CD 3.48Å; F718-R1097 HydrophobicContact CE1-CG 4.35Å; F718-R1097 HydrophobicContact CG-CB 4.27Å
719Y82.1Confident85.3Confident40 Ų4036.8 Ų36.816%0.15721%0.208CC..EExtended strand (participates in β ladder)trans-131.8150.3179.2-61.1-102.7000109.9V717 W973 N1095 W1096 Y1098V717-Y719 HydrophobicContact CB-CE2 4.32Å; V717-Y719 HydrophobicContact CG2-CE2 3.87Å; Y719-W973 HydrophobicContact CD1-CB 4.16Å; Y719-W973 HydrophobicContact CE1-CB 3.31Å; Y719-W973 HydrophobicContact CE2-CB 3.8Å; Y719-W973 WeakPolarHBondContact OH-CB 3.46Å; Y719-N1095 WeakPolarHBondContact O-CA 3.18Å; Y719-W1096 VanDerWaalsContact CB-CD2 3.44Å; Y719-W1096 AromaticContact CD1-CE2 3.96Å; Y719-W1096 HydrophobicContact CD1-CH2 4.18Å; Y719-W1096 AromaticContact CD1-CZ2 3.52Å; Y719-W1096 HydrophobicContact CD1-CZ2 3.52Å; Y719-W1096 AromaticContact CD2-CD1 3.8Å; Y719-W1096 HydrophobicContact CD2-CD2 4.38Å; Y719-W1096 AromaticContact CD2-CE2 3.72Å; Y719-W1096 HydrophobicContact CD2-CG 4.43Å; Y719-W1096 HydrophobicContact CD2-CZ2 4.16Å; Y719-W1096 AromaticContact CD2-NE1 3.34Å; Y719-W1096 VanDerWaalsContact CD2-NE1 3.34Å; Y719-W1096 HydrophobicContact CE1-CZ2 4.24Å; Y719-W1096 AromaticContact CE2-NE1 3.85Å; Y719-W1096 HydrophobicContact CG-CD2 4.1Å; Y719-W1096 AromaticContact CG-CE2 3.39Å; Y719-W1096 HydrophobicContact CG-CH2 4.11Å; Y719-W1096 AromaticContact CG-CZ2 3.42Å; Y719-W1096 HydrophobicContact CG-CZ2 3.42Å; Y719-W1096 VanDerWaalsContact CG-CZ2 3.42Å; Y719-W1096 AromaticContact CG-NE1 3.55Å; Y719-W1096 PolarHBondContact N-O 3.01Å; Y719-W1096 PolarHBondContact O-N 2.55Å; Y719-Y1098 AromaticContact CD2-CE1 3.97Å; Y719-Y1098 HydrophobicContact CD2-CE1 3.97Å; Y719-Y1098 HydrophobicContact CE2-CD1 4.21Å; Y719-Y1098 AromaticContact CE2-CE1 3.29Å; Y719-Y1098 HydrophobicContact CE2-CE1 3.29Å; Y719-Y1098 AromaticContact CE2-CZ 3.63Å; Y719-Y1098 PolarHBondContact OH-OH 3.28Å
720S83.5Confident84.4Confident28 Ų2840 Ų4020%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-141.4129.9176.8174.60000108.1Q1093 L1094 N1095S720-Q1093 VanDerWaalsContact OG-CD 3.31Å; S720-Q1093 WeakPolarHBondContact OG-CG 3.45Å; S720-Q1093 PolarHBondContact OG-NE2 3.16Å; S720-L1094 CarbonylContact C-O 3.16Å; S720-L1094 WeakPolarHBondContact CA-O 3.16Å; S720-N1095 WeakPolarHBondContact CB-OD1 3.44Å; S720-N1095 PolarHBondContact OG-OD1 2.71Å
721R83.4Confident83.4Confident62 Ų6245.2 Ų45.223%0.23425%0.251CS..EExtended strand (participates in β ladder)trans-120.793.4170.9-81.2-178.3178.1178.71.7108.4L738 E740 L1094 W1096R721-L738 PolarHBondContact NH1-O 2.96Å; R721-E740 IonicContact CZ-OE1 3.86Å; R721-E740 IonicContact CZ-OE2 3.73Å; R721-E740 IonicContact NH1-OE1 3.77Å; R721-E740 PolarHBondContact NH1-OE1 3.17Å; R721-E740 IonicContact NH2-OE1 2.71Å; R721-E740 PolarHBondContact NH2-OE1 3.45Å; R721-E740 IonicContact NH2-OE2 2.81Å; R721-E740 PolarHBondContact NH2-OE2 3.11Å; R721-L1094 HydrophobicContact CB-CB 4.36Å; R721-L1094 PolarHBondContact N-O 2.76Å; R721-L1094 PolarHBondContact O-N 3.45Å; R721-W1096 HydrophobicContact CB-CZ3 4.07Å; R721-W1096 HydrophobicContact CG-CH2 3.78Å; R721-W1096 HydrophobicContact CG-CZ3 3.72Å
722P84.2Confident83.1Confident8 Ų846.6 Ų46.65%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-83.4149.3177.135.1-34.9000111V1009 F1091 V1092 Q1093P722-V1009 HydrophobicContact CB-CG1 4.03Å; P722-V1009 HydrophobicContact CG-CG1 4.33Å; P722-V1009 WeakPolarHBondContact CG-O 3.39Å; P722-F1091 HydrophobicContact CB-CE2 3.62Å; P722-F1091 HydrophobicContact CB-CZ 3.42Å; P722-F1091 VanDerWaalsContact CB-CZ 3.42Å; P722-V1092 CarbonylContact C-O 3.45Å; P722-Q1093 HydrophobicContact CB-CB 4.36Å; P722-Q1093 HydrophobicContact CB-CG 4.07Å
723L83.5Confident82.8Confident14 Ų1448.5 Ų48.57%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-141.1129.3-176.1174.861.3000109.4I725 F733 Q735 F952 V1092L723-I725 HydrophobicContact CD2-CD1 4.42Å; L723-I725 HydrophobicContact CD2-CG1 4.12Å; L723-I725 HydrophobicContact CG-CG1 4.14Å; L723-F733 HydrophobicContact CD1-CZ 3.92Å; L723-F733 HydrophobicContact CD2-CE1 3.68Å; L723-F733 HydrophobicContact CD2-CZ 3.73Å; L723-F733 HydrophobicContact CG-CZ 4.25Å; L723-Q735 HydrophobicContact CD2-CB 4.46Å; L723-F952 HydrophobicContact CD1-CE1 3.88Å; L723-V1092 WeakPolarHBondContact CA-O 3.43Å; L723-V1092 WeakPolarHBondContact CB-O 3.37Å; L723-V1092 PolarHBondContact N-O 3.07Å; L723-V1092 PolarHBondContact O-N 3.25Å; L723-V1092 VanDerWaalsContact O-O 3.1Å
724I82.7Confident82.6Confident37 Ų3750.7 Ų50.719%0.1929%0.291CS..EExtended strand (participates in β ladder)trans-98.3117.3171.1-54.6172.1000107.8F1002 V1005 V1009 F1091I724-F1002 HydrophobicContact CB-CZ 4.44Å; I724-F1002 HydrophobicContact CD1-CE2 4.07Å; I724-F1002 HydrophobicContact CG2-CE2 4.01Å; I724-F1002 HydrophobicContact CG2-CZ 4.09Å; I724-V1005 HydrophobicContact CD1-CG1 4.12Å; I724-V1009 HydrophobicContact CD1-CB 4.09Å; I724-V1009 HydrophobicContact CD1-CG1 4.09Å; I724-V1009 HydrophobicContact CD1-CG2 4.01Å; I724-V1009 HydrophobicContact CG1-CG1 3.99Å; I724-F1091 HydrophobicContact CG1-CD2 4.19Å
725I84.6Confident82.4Confident0 Ų052 Ų520%029%0.294CS..EExtended strand (participates in β ladder)trans-96.2113.5171.4-57.9-178.7000106.7L723 L727 F733 I1082 A1084 A1089 A1090 V1092L723-I725 HydrophobicContact CD2-CD1 4.42Å; L723-I725 HydrophobicContact CD2-CG1 4.12Å; L723-I725 HydrophobicContact CG-CG1 4.14Å; I725-L727 HydrophobicContact CG2-CD2 4.48Å; I725-L727 HydrophobicContact CG2-CG 4.27Å; I725-F733 HydrophobicContact CD1-CD1 3.99Å; I725-F733 HydrophobicContact CD1-CE1 4.18Å; I725-F733 HydrophobicContact CG1-CD1 4.01Å; I725-F733 HydrophobicContact CG1-CE1 4.05Å; I725-F733 HydrophobicContact CG2-CB 4.11Å; I725-F733 HydrophobicContact CG2-CD1 4.27Å; I725-F733 HydrophobicContact CG2-CG 4.11Å; I725-I1082 HydrophobicContact CD1-CG2 4.23Å; I725-A1084 HydrophobicContact CD1-CB 3.9Å; I725-A1084 HydrophobicContact CG2-CB 3.78Å; I725-A1089 CarbonylContact O-C 3.58Å; I725-A1089 WeakPolarHBondContact O-CA 3.16Å; I725-A1090 PolarHBondContact N-O 3.44Å; I725-A1090 PolarHBondContact O-N 3.22Å; I725-V1092 HydrophobicContact CD1-CG2 3.66Å; I725-V1092 HydrophobicContact CG1-CG2 4.28Å
726N81.9Confident82.3Confident49 Ų4953.6 Ų53.626%0.26231%0.306SS..EExtended strand (participates in β ladder)trans-121.5113.9171.4-173.81.1000109Q728 A1089N726-Q728 VanDerWaalsContact C-N 3.35Å; N726-Q728 PolarHBondContact ND2-OE1 3.29Å; N726-Q728 WeakPolarHBondContact OD1-CB 3.38Å; N726-Q728 WeakPolarHBondContact OD1-CG 3.38Å; N726-Q728 PolarHBondContact OD1-N 3.31Å; N726-A1089 HydrophobicContact CB-CB 4.48Å
727L82.9Confident82Confident6 Ų652 Ų523%0.03130%0.297CS..  trans-96.620.5176.8-64.5-173.5000112.3I725 G729 K730 F733 L1045 G1086 G1088I725-L727 HydrophobicContact CG2-CD2 4.48Å; I725-L727 HydrophobicContact CG2-CG 4.27Å; L727-G729 PolarHBondContact O-N 3.02Å; L727-G729 VanDerWaalsContact O-N 3.1Å; L727-K730 CarbonylContact C-O 3.57Å; L727-K730 WeakPolarHBondContact CB-O 3.43Å; L727-K730 HydrophobicContact CD2-CB 4.33Å; L727-K730 PolarHBondContact O-N 3.01Å; L727-F733 HydrophobicContact CD2-CB 3.71Å; L727-L1045 HydrophobicContact CB-CD2 4.34Å; L727-L1045 HydrophobicContact CD1-CD2 3.55Å; L727-L1045 HydrophobicContact CG-CD2 4.08Å; L727-G1086 WeakPolarHBondContact CD1-O 3.42Å; L727-G1088 PolarHBondContact N-O 3.3Å
728Q71.7Confident81.9Confident121 Ų12156.1 Ų56.157%0.56532%0.318SS*.THydrogen-bonded Turntrans-67.9106.6166.3-72.3172.5-11.600109.5N726N726-Q728 VanDerWaalsContact C-N 3.35Å; N726-Q728 PolarHBondContact ND2-OE1 3.29Å; N726-Q728 WeakPolarHBondContact OD1-CB 3.38Å; N726-Q728 WeakPolarHBondContact OD1-CG 3.38Å; N726-Q728 PolarHBondContact OD1-N 3.31Å
729G71.9Confident82Confident88 Ų8853 Ų5391%0.90731%0.305SS*.THydrogen-bonded Turntrans89.6-2.3-179.800000115.7L727L727-G729 PolarHBondContact O-N 3.02Å; L727-G729 VanDerWaalsContact O-N 3.1Å
730K75.5Confident81.9Confident128 Ų12854.8 Ų54.856%0.55732%0.315SS*.  trans-126.5145.8174.6-66.4179-178.7175.20109.3L727L727-K730 CarbonylContact C-O 3.57Å; L727-K730 WeakPolarHBondContact CB-O 3.43Å; L727-K730 HydrophobicContact CD2-CB 4.33Å; L727-K730 PolarHBondContact O-N 3.01Å
731T75.5Confident81.8Confident113 Ų11356.1 Ų56.169%0.69332%0.322SS*.SBendtrans-88.8-28.8179.250.50000113.2
732T86.3Confident81.6Confident80 Ų8055.5 Ų55.549%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-140.2155.3-176.163.70000111.1A1084 E1085T732-A1084 CarbonylContact C-O 3.54Å; T732-A1084 WeakPolarHBondContact CA-O 3.19Å; T732-E1085 HydrophobicContact CG2-CG 3.99Å
733F87.2Confident81.5Confident48 Ų4860.2 Ų60.221%0.21137%0.367CS..EExtended strand (participates in β ladder)trans-135.7142.3173.3173.2-84.8000109.1L723 I725 L727 Q735 S1083 A1084L723-F733 HydrophobicContact CD1-CZ 3.92Å; L723-F733 HydrophobicContact CD2-CE1 3.68Å; L723-F733 HydrophobicContact CD2-CZ 3.73Å; L723-F733 HydrophobicContact CG-CZ 4.25Å; I725-F733 HydrophobicContact CD1-CD1 3.99Å; I725-F733 HydrophobicContact CD1-CE1 4.18Å; I725-F733 HydrophobicContact CG1-CD1 4.01Å; I725-F733 HydrophobicContact CG1-CE1 4.05Å; I725-F733 HydrophobicContact CG2-CB 4.11Å; I725-F733 HydrophobicContact CG2-CD1 4.27Å; I725-F733 HydrophobicContact CG2-CG 4.11Å; L727-F733 HydrophobicContact CD2-CB 3.71Å; F733-Q735 HydrophobicContact CE1-CB 3.64Å; F733-Q735 HydrophobicContact CZ-CB 3.57Å; F733-S1083 CarbonylContact O-C 3.59Å; F733-S1083 VanDerWaalsContact O-CA 3.24Å; F733-S1083 WeakPolarHBondContact O-CA 3.43Å; F733-A1084 HydrophobicContact CB-CB 4.4Å; F733-A1084 PolarHBondContact N-O 3.11Å; F733-A1084 PolarHBondContact O-N 3.42Å
734S86.5Confident81.6Confident92 Ų9263.5 Ų63.564%0.64339%0.385SS*.EExtended strand (participates in β ladder)trans-147.3128.4173.1-176.90000110.1I1082S734-I1082 WeakPolarHBondContact CA-O 3.47Å
735Q85.7Confident81.8Confident37 Ų3764.1 Ų64.117%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-140.3144.9172.9-178169.25.400109.8L723 F733 I1082L723-Q735 HydrophobicContact CD2-CB 4.46Å; F733-Q735 HydrophobicContact CE1-CB 3.64Å; F733-Q735 HydrophobicContact CZ-CB 3.57Å; Q735-I1082 PolarHBondContact N-O 2.77Å; Q735-I1082 PolarHBondContact O-N 3.08Å; Q735-I1082 VanDerWaalsContact O-O 3.13Å
736S84.4Confident82Confident43 Ų4364.1 Ų64.130%0.30139%0.387SS..EExtended strand (participates in β ladder)trans-117.2145.5175.4-50.30000110.7K1079 I1080 D1081S736-K1079 WeakPolarHBondContact OG-CE 3.42Å; S736-K1079 PolarHBondContact OG-NZ 3.1Å; S736-I1080 CarbonylContact C-O 3.41Å; S736-I1080 WeakPolarHBondContact CA-O 3.44Å; S736-D1081 WeakPolarHBondContact CB-OD1 3.46Å; S736-D1081 PolarHBondContact OG-OD1 3.05Å
737S81.9Confident82.2Confident25 Ų2568.3 Ų68.318%0.17541%0.405CS..EExtended strand (participates in β ladder)trans-136.6151.8177.1-69.90000110.4I1080S737-I1080 PolarHBondContact N-O 3.46Å; S737-I1080 PolarHBondContact O-N 3.39Å
738L82.6Confident82.2Confident86 Ų8672 Ų7245%0.4543%0.425SS..  trans-114.5143.4170.8-169.171.2000108.6R721 E740R721-L738 PolarHBondContact NH1-O 2.96Å; L738-E740 PolarHBondContact O-N 3.41Å
739V83.2Confident83.1Confident7 Ų766.6 Ų66.64%0.04240%0.4CS..  trans-79.7116.4171.5-179.50000108.5T741 A752 M1076 I1080 L1094 W1096V739-T741 HydrophobicContact CG1-CG2 4.28Å; V739-A752 HydrophobicContact CG2-CB 4.38Å; V739-M1076 WeakPolarHBondContact CB-O 3.38Å; V739-M1076 HydrophobicContact CG1-CE 3.64Å; V739-I1080 HydrophobicContact CG2-CD1 3.82Å; V739-L1094 HydrophobicContact CG2-CD2 4.41Å; V739-W1096 HydrophobicContact CG1-CB 4.07Å; V739-W1096 VanDerWaalsContact CG1-CD1 3.44Å; V739-W1096 HydrophobicContact CG1-CD2 3.97Å; V739-W1096 HydrophobicContact CG1-CG 3.58Å
740E80.8Confident84Confident79 Ų7963.1 Ų63.137%0.36937%0.365SS..  trans-86.6125.3177.3-72.7158-148.100110.2R721 L738 W1096R721-E740 IonicContact CZ-OE1 3.86Å; R721-E740 IonicContact CZ-OE2 3.73Å; R721-E740 IonicContact NH1-OE1 3.77Å; R721-E740 PolarHBondContact NH1-OE1 3.17Å; R721-E740 IonicContact NH2-OE1 2.71Å; R721-E740 PolarHBondContact NH2-OE1 3.45Å; R721-E740 IonicContact NH2-OE2 2.81Å; R721-E740 PolarHBondContact NH2-OE2 3.11Å; L738-E740 PolarHBondContact O-N 3.41Å; E740-W1096 PolarHBondContact O-NE1 3.11Å
741T80.6Confident84.6Confident55 Ų5561.4 Ų61.434%0.33736%0.355SS..  trans-123142.9179.4580000110.5V739 M745 M1076V739-T741 HydrophobicContact CG1-CG2 4.28Å; T741-M745 HydrophobicContact CG2-CE 4.35Å; T741-M745 HydrophobicContact CG2-SD 3.84Å; T741-M1076 HydrophobicContact CG2-CE 4.5Å
742S80.7Confident85.4Confident50 Ų5056.1 Ų56.135%0.3532%0.323SS..  trans-77151.2173179.30000112.1D744 M745 Y1098S742-D744 PolarHBondContact O-N 2.86Å; S742-D744 PolarHBondContact OG-N 3.31Å; S742-M745 WeakPolarHBondContact O-CB 2.98Å; S742-M745 PolarHBondContact O-N 2.87Å; S742-M745 VanDerWaalsContact O-N 3.13Å; S742-Y1098 PolarHBondContact N-OH 2.94Å; S742-Y1098 VanDerWaalsContact N-OH 3.12Å
743A80.9Confident85.6Confident107 Ų10755.4 Ų55.488%0.88431%0.313SS*.THydrogen-bonded Turntrans-62.9-24170.300000112.9M745A743-M745 PolarHBondContact O-N 3.29Å
744D85.8Confident85.9Confident83 Ų8353.1 Ų53.144%0.44430%0.303SS..THydrogen-bonded Turntrans-84.46.6176.1-75.3-34.1000113.6S742 V746 V1100 K1101S742-D744 PolarHBondContact O-N 2.86Å; S742-D744 PolarHBondContact OG-N 3.31Å; D744-V746 PolarHBondContact O-N 3.14Å; D744-V1100 WeakPolarHBondContact O-CA 3.38Å; D744-K1101 PolarHBondContact O-N 3.35Å; D744-K1101 VanDerWaalsContact O-N 3.11Å
745M87.9Confident86.1Confident49 Ų4949 Ų4924%0.24128%0.275CS..BIsolated β-bridgetrans-58.9131.8176.7-178.3174.778.900110.9T741 S742 A743 Y1098 N1099T741-M745 HydrophobicContact CG2-CE 4.35Å; T741-M745 HydrophobicContact CG2-SD 3.84Å; S742-M745 WeakPolarHBondContact O-CB 2.98Å; S742-M745 PolarHBondContact O-N 2.87Å; S742-M745 VanDerWaalsContact O-N 3.13Å; A743-M745 PolarHBondContact O-N 3.29Å; M745-Y1098 HydrophobicContact CB-CD2 3.89Å; M745-Y1098 HydrophobicContact CB-CE2 4.14Å; M745-Y1098 HydrophobicContact CG-CD2 3.56Å; M745-Y1098 HydrophobicContact CG-CE2 4.26Å; M745-Y1098 HydrophobicContact CG-CG 3.87Å; M745-Y1098 HydrophobicContact SD-CD1 4.27Å; M745-Y1098 HydrophobicContact SD-CD2 4.02Å; M745-Y1098 HydrophobicContact SD-CG 3.78Å; M745-N1099 CarbonylContact C-O 3.53Å; M745-N1099 WeakPolarHBondContact CA-O 3.32Å
746V89.2Confident86.3Confident0 Ų047.3 Ų47.30%027%0.267CS..PPolyproline II helixtrans-72.5127.2172.3174.30000108.6A712 E713 D744 S749 N1099 K1101A712-V746 HydrophobicContact CB-CG1 4.36Å; E713-V746 HydrophobicContact CG-CG1 3.82Å; E713-V746 HydrophobicContact CG-CG2 4.25Å; E713-V746 VanDerWaalsContact OE1-CG1 3.24Å; E713-V746 WeakPolarHBondContact OE1-CG1 3.41Å; D744-V746 PolarHBondContact O-N 3.14Å; V746-S749 VanDerWaalsContact O-CB 3.31Å; V746-S749 WeakPolarHBondContact O-CB 3.03Å; V746-S749 PolarHBondContact O-N 2.98Å; V746-S749 PolarHBondContact O-OG 3.23Å; V746-N1099 HydrophobicContact CB-CB 4.04Å; V746-N1099 WeakPolarHBondContact CB-O 3.46Å; V746-N1099 HydrophobicContact CG2-CB 4.05Å; V746-N1099 PolarHBondContact N-O 2.87Å; V746-K1101 HydrophobicContact CG2-CG 3.83Å
747E85.2Confident86.5Confident137 Ų13745.3 Ų45.364%0.6425%0.253SS*.THydrogen-bonded Turntrans-53.6144.3177.8-171.3176-16500111.7R596 S749R596-E747 PolarHBondContact NH1-O 3.42Å; R596-E747 VanDerWaalsContact NH1-O 3.08Å; R596-E747 PolarHBondContact NH2-O 3.35Å; E747-S749 PolarHBondContact O-N 3.22Å
748D83.5Confident86.7Confident83 Ų8344.8 Ų44.844%0.44425%0.251SS..THydrogen-bonded Turntrans58.7-1.6-176.1-55.6-36.1000117.5R596 V686 G750 R751R596-D748 IonicContact NH1-OD2 3.79Å; R596-D748 PolarHBondContact NH1-OD2 3.15Å; V686-D748 HydrophobicContact CG2-CB 4.44Å; D748-G750 VanDerWaalsContact C-N 3.31Å; D748-R751 PolarHBondContact O-NH1 2.8Å
749S90.4Very high86.7Confident8 Ų841.5 Ų41.56%0.05623%0.234CC..  trans-76.7-20.2177.972.40000113.2V746 E747 N1099V746-S749 VanDerWaalsContact O-CB 3.31Å; V746-S749 WeakPolarHBondContact O-CB 3.03Å; V746-S749 PolarHBondContact O-N 2.98Å; V746-S749 PolarHBondContact O-OG 3.23Å; E747-S749 PolarHBondContact O-N 3.22Å; S749-N1099 PolarHBondContact OG-N 3.11Å
750G89.3Confident86.6Confident15 Ų1542.3 Ų42.316%0.15524%0.239CC..  trans-66.5127.5-176.700000113.9D748 M1076 R1097D748-G750 VanDerWaalsContact C-N 3.31Å; G750-M1076 VanDerWaalsContact C-SD 3.58Å; G750-R1097 CarbonylContact C-O 3.6Å; G750-R1097 WeakPolarHBondContact CA-O 3.2Å
751R89.4Confident86.6Confident93 Ų9338.6 Ų38.635%0.35122%0.222SC..EExtended strand (participates in β ladder)trans-135.4136.8169.1-63.1-66.7-179.7-80.1-2.4108.8V686 D748 W1096 R1097V686-R751 PolarHBondContact O-NH2 3.28Å; D748-R751 PolarHBondContact O-NH1 2.8Å; R751-W1096 CarbonylContact O-C 3.48Å; R751-W1096 WeakPolarHBondContact O-CA 3.38Å; R751-W1096 WeakPolarHBondContact O-CB 3.47Å; R751-R1097 HydrophobicContact CB-CG 4.07Å; R751-R1097 PolarHBondContact N-O 3.37Å; R751-R1097 PolarHBondContact O-N 2.93Å
752A91.5Very high86.5Confident2 Ų236 Ų362%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-135.1144.3173.100000110.6V739 I1073 M1076 N1095 W1096V739-A752 HydrophobicContact CG2-CB 4.38Å; A752-I1073 HydrophobicContact CB-CB 3.86Å; A752-I1073 HydrophobicContact CB-CG1 4.28Å; A752-I1073 HydrophobicContact CB-CG2 4.31Å; A752-I1073 WeakPolarHBondContact O-CB 3.11Å; A752-I1073 PolarHBondContact O-N 3.5Å; A752-M1076 HydrophobicContact CB-CE 4.02Å; A752-M1076 HydrophobicContact CB-CG 3.78Å; A752-M1076 HydrophobicContact CB-SD 4.07Å; A752-N1095 CarbonylContact C-O 3.59Å; A752-N1095 VanDerWaalsContact CA-O 3.27Å; A752-N1095 WeakPolarHBondContact CA-O 3.4Å; A752-W1096 HydrophobicContact CB-CB 3.73Å
753E91.8Very high86.4Confident64 Ų6433.8 Ų33.830%0.29919%0.19SC..EExtended strand (participates in β ladder)trans-146.3150.317865.1-176.5-165.700110.3T1070 Y1071 Q1072 N1095E753-T1070 HydrophobicContact CB-CG2 4.18Å; E753-T1070 HydrophobicContact CG-CG2 4.49Å; E753-Y1071 CarbonylContact C-O 3.58Å; E753-Y1071 WeakPolarHBondContact CA-O 3.18Å; E753-Y1071 WeakPolarHBondContact CB-O 3.14Å; E753-Q1072 PolarHBondContact OE2-NE2 2.8Å; E753-N1095 HydrophobicContact CG-CB 3.97Å; E753-N1095 PolarHBondContact N-O 2.7Å; E753-N1095 PolarHBondContact O-N 3.36Å
754V91.7Very high86.3Confident0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-108.7131.9168.8-178.50000107.9I756 I1049 T1070 Y1071 I1073 I1080 V1092 Q1093 L1094V754-I756 HydrophobicContact CG1-CG1 4.36Å; V754-I1049 HydrophobicContact CB-CD1 3.66Å; V754-I1049 HydrophobicContact CG1-CD1 3.43Å; V754-I1049 VanDerWaalsContact CG1-CD1 3.43Å; V754-I1049 HydrophobicContact CG1-CG1 4.35Å; V754-I1049 HydrophobicContact CG2-CD1 4.27Å; V754-T1070 CarbonylContact O-C 3.51Å; V754-T1070 WeakPolarHBondContact O-CA 3.42Å; V754-Y1071 PolarHBondContact N-O 3.05Å; V754-Y1071 PolarHBondContact O-N 3.31Å; V754-I1073 HydrophobicContact CG2-CD1 3.96Å; V754-I1073 HydrophobicContact CG2-CG1 4.2Å; V754-I1080 HydrophobicContact CG2-CG2 4.4Å; V754-V1092 HydrophobicContact CG1-CG1 3.55Å; V754-Q1093 CarbonylContact C-O 3.55Å; V754-Q1093 WeakPolarHBondContact CA-O 3.35Å; V754-L1094 HydrophobicContact CG2-CB 4.48Å; V754-L1094 HydrophobicContact CG2-CD1 3.72Å
755T91.4Very high85.8Confident7 Ų726.8 Ų26.84%0.04314%0.139CC..EExtended strand (participates in β ladder)trans-112.8139175.759.10000109.5L1068 Q1069 T1070 V1092 Q1093T755-L1068 HydrophobicContact CG2-CD2 4.23Å; T755-Q1069 CarbonylContact C-O 3.59Å; T755-Q1069 WeakPolarHBondContact CA-O 3.06Å; T755-T1070 HydrophobicContact CG2-CG2 4.05Å; T755-V1092 CarbonylContact O-C 3.57Å; T755-V1092 VanDerWaalsContact O-CA 3.32Å; T755-V1092 WeakPolarHBondContact O-CA 3.32Å; T755-Q1093 PolarHBondContact N-O 3Å; T755-Q1093 PolarHBondContact O-N 3.19Å; T755-Q1093 PolarHBondContact OG1-O 3.11Å
756I91.2Very high85.1Confident1 Ų129.8 Ų29.81%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-131133.8-176.2-62.1162.6000108.6V754 I1047 I1049 F1058 V1060 Q1069 F1091 V1092V754-I756 HydrophobicContact CG1-CG1 4.36Å; I756-I1047 HydrophobicContact CD1-CB 4.43Å; I756-I1047 HydrophobicContact CD1-CG2 3.97Å; I756-I1047 HydrophobicContact CG2-CD1 3.59Å; I756-I1049 HydrophobicContact CD1-CD1 3.58Å; I756-I1049 HydrophobicContact CD1-CG1 4.32Å; I756-I1049 HydrophobicContact CG1-CD1 4.36Å; I756-F1058 HydrophobicContact CD1-CB 3.72Å; I756-F1058 HydrophobicContact CD1-CD1 4.12Å; I756-F1058 HydrophobicContact CD1-CD2 3.29Å; I756-F1058 HydrophobicContact CD1-CE2 3.95Å; I756-F1058 HydrophobicContact CD1-CG 3.41Å; I756-F1058 VanDerWaalsContact CD1-CG 3.41Å; I756-V1060 HydrophobicContact CG2-CG2 3.68Å; I756-Q1069 HydrophobicContact CB-CB 4.5Å; I756-Q1069 PolarHBondContact N-O 3.22Å; I756-Q1069 PolarHBondContact O-N 3.21Å; I756-F1091 WeakPolarHBondContact CA-O 3.25Å; I756-V1092 HydrophobicContact CG1-CG1 4.07Å; I756-V1092 HydrophobicContact CG1-CG2 4.15Å; I756-V1092 HydrophobicContact CG2-CG2 4.44Å
757I88.3Confident84.4Confident1 Ų131.6 Ų31.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-151.6147.4175.4-171.3148.8000110.3D759 P763 A1065 L1068 F1091I757-D759 WeakPolarHBondContact CG2-O 3.44Å; I757-D759 PolarHBondContact O-N 3.18Å; I757-P763 HydrophobicContact CG2-CG 4.06Å; I757-A1065 WeakPolarHBondContact CG1-O 3.4Å; I757-L1068 HydrophobicContact CB-CD1 3.72Å; I757-L1068 HydrophobicContact CD1-CB 3.94Å; I757-L1068 HydrophobicContact CD1-CD1 4.09Å; I757-L1068 HydrophobicContact CG2-CD1 3.9Å; I757-F1091 HydrophobicContact CG2-CB 3.94Å; I757-F1091 HydrophobicContact CG2-CD1 3.93Å; I757-F1091 HydrophobicContact CG2-CG 4.44Å; I757-F1091 PolarHBondContact N-O 3.16Å; I757-F1091 PolarHBondContact O-N 2.86Å
758G84.9Confident83.5Confident14 Ų1426.1 Ų26.114%0.14414%0.139CC..SBendtrans-80.61.6-179.700000114.4V1060 A1065G758-V1060 VanDerWaalsContact CA-CG1 3.41Å; G758-A1065 CarbonylContact C-O 3.34Å; G758-A1065 WeakPolarHBondContact CA-O 3.13Å; G758-A1065 PolarHBondContact N-O 2.74Å
759D82.2Confident82.7Confident17 Ų1731.1 Ų31.19%0.09116%0.157CC..SBendtrans-137.3135.3-172.9-174.3-91000112.4I757 M761 G762 Y795 A1065 I1066I757-D759 WeakPolarHBondContact CG2-O 3.44Å; I757-D759 PolarHBondContact O-N 3.18Å; D759-M761 VanDerWaalsContact C-N 3.31Å; D759-M761 PolarHBondContact O-N 3.3Å; D759-M761 VanDerWaalsContact OD1-CA 3.27Å; D759-M761 WeakPolarHBondContact OD1-CA 3.29Å; D759-M761 VanDerWaalsContact OD1-CB 3.27Å; D759-M761 WeakPolarHBondContact OD1-CB 3.09Å; D759-M761 PolarHBondContact OD1-N 2.9Å; D759-G762 PolarHBondContact O-N 3.24Å; D759-G762 VanDerWaalsContact O-N 3.09Å; D759-G762 PolarHBondContact OD1-N 3.39Å; D759-G762 VanDerWaalsContact OD1-N 3.09Å; D759-Y795 PolarHBondContact OD1-OH 3.42Å; D759-Y795 PolarHBondContact OD2-OH 3Å; D759-A1065 PolarHBondContact N-O 3.46Å; D759-I1066 HydrophobicContact CB-CG2 4.42Å
760V81.6Confident81.6Confident24 Ų2431.7 Ų31.715%0.14516%0.164CC..THydrogen-bonded Turntrans-66.6-30.4-177.470.80000112.8G762 V1009 R1012 A1035V760-G762 VanDerWaalsContact C-N 3.34Å; V760-V1009 HydrophobicContact CG2-CG2 3.93Å; V760-R1012 PolarHBondContact O-NH1 2.79Å; V760-R1012 PolarHBondContact O-NH2 2.73Å; V760-A1035 HydrophobicContact CG1-CB 3.55Å
761M82.2Confident80.6Confident0 Ų031.2 Ų31.20%016%0.158CC..THydrogen-bonded Turntrans-82.4-14.2174.8-67-58.7-66.500112.6D759 T764 V765 I791 Y795 L1028 L1031 A1032 A1035D759-M761 VanDerWaalsContact C-N 3.31Å; D759-M761 PolarHBondContact O-N 3.3Å; D759-M761 VanDerWaalsContact OD1-CA 3.27Å; D759-M761 WeakPolarHBondContact OD1-CA 3.29Å; D759-M761 VanDerWaalsContact OD1-CB 3.27Å; D759-M761 WeakPolarHBondContact OD1-CB 3.09Å; D759-M761 PolarHBondContact OD1-N 2.9Å; M761-T764 HydrophobicContact CE-CG2 4.27Å; M761-T764 WeakPolarHBondContact O-CA 3.3Å; M761-T764 WeakPolarHBondContact O-CB 2.83Å; M761-T764 PolarHBondContact O-N 2.86Å; M761-V765 WeakPolarHBondContact O-CG2 3.49Å; M761-V765 PolarHBondContact O-N 3.08Å; M761-I791 HydrophobicContact CE-CG2 4.29Å; M761-Y795 HydrophobicContact CB-CD1 3.89Å; M761-Y795 HydrophobicContact CB-CE1 3.94Å; M761-Y795 HydrophobicContact CB-CG 4.31Å; M761-Y795 HydrophobicContact CG-CD1 4.19Å; M761-Y795 HydrophobicContact CG-CD2 4.22Å; M761-Y795 HydrophobicContact CG-CE1 4.45Å; M761-Y795 HydrophobicContact CG-CE2 4.47Å; M761-Y795 HydrophobicContact CG-CG 4.1Å; M761-L1028 HydrophobicContact CE-CB 4.4Å; M761-L1028 HydrophobicContact CE-CD2 4.14Å; M761-L1031 HydrophobicContact SD-CB 3.93Å; M761-A1032 HydrophobicContact CE-CB 3.96Å; M761-A1032 HydrophobicContact CG-CB 4.31Å; M761-A1032 HydrophobicContact SD-CB 4.02Å; M761-A1035 HydrophobicContact CG-CB 4.28Å
762G78Confident79.2Confident1 Ų127.6 Ų27.61%0.0115%0.145CC..Hα-helixtrans-45.7-50-178.900000117.2D759 V760 T764 V765 K766D759-G762 PolarHBondContact O-N 3.24Å; D759-G762 VanDerWaalsContact O-N 3.09Å; D759-G762 PolarHBondContact OD1-N 3.39Å; D759-G762 VanDerWaalsContact OD1-N 3.09Å; V760-G762 VanDerWaalsContact C-N 3.34Å; G762-T764 PolarHBondContact O-N 2.84Å; G762-V765 PolarHBondContact O-N 3.41Å; G762-K766 PolarHBondContact O-N 3.11Å; G762-K766 VanDerWaalsContact O-N 3.1Å
763P78.3Confident78.1Confident3 Ų333.4 Ų33.42%0.01917%0.167CC..Hα-helixtrans-62.9-31.9177.3-2032.2000112.8I757 N767 F1091I757-P763 HydrophobicContact CG2-CG 4.06Å; P763-N767 WeakPolarHBondContact O-CB 3Å; P763-N767 PolarHBondContact O-N 2.92Å; P763-N767 VanDerWaalsContact O-N 3.15Å; P763-N767 PolarHBondContact O-ND2 3.23Å; P763-F1091 HydrophobicContact CG-CD1 3.62Å; P763-F1091 HydrophobicContact CG-CE1 3.6Å
764T79.3Confident76.7Confident0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-69.3-44.8176.2-56.30000110.5M761 G762 K766 N767 A768 L771 V792 R1012 G1016 L1028M761-T764 HydrophobicContact CE-CG2 4.27Å; M761-T764 WeakPolarHBondContact O-CA 3.3Å; M761-T764 WeakPolarHBondContact O-CB 2.83Å; M761-T764 PolarHBondContact O-N 2.86Å; G762-T764 PolarHBondContact O-N 2.84Å; T764-K766 VanDerWaalsContact C-N 3.34Å; T764-K766 PolarHBondContact O-N 3.16Å; T764-N767 CarbonylContact O-C 3.46Å; T764-N767 PolarHBondContact O-N 3.42Å; T764-A768 WeakPolarHBondContact O-CA 3.27Å; T764-A768 PolarHBondContact O-N 3.11Å; T764-L771 HydrophobicContact CG2-CD1 3.81Å; T764-L771 HydrophobicContact CG2-CD2 3.7Å; T764-L771 HydrophobicContact CG2-CG 4.43Å; T764-V792 HydrophobicContact CG2-CG2 3.76Å; T764-R1012 PolarHBondContact OG1-NH2 3.05Å; T764-G1016 PolarHBondContact OG1-O 3.48Å; T764-L1028 HydrophobicContact CG2-CD1 3.64Å; T764-L1028 HydrophobicContact CG2-CD2 3.75Å; T764-L1028 HydrophobicContact CG2-CG 4.32Å; T764-L1028 WeakPolarHBondContact OG1-CD2 3.39Å
765V74Confident74.9Confident43 Ų4331.7 Ų31.726%0.26116%0.16SC..Hα-helixtrans-58.5-45.2177.7179.50000110.9M761 G762 V792M761-V765 WeakPolarHBondContact O-CG2 3.49Å; M761-V765 PolarHBondContact O-N 3.08Å; G762-V765 PolarHBondContact O-N 3.41Å; V765-V792 HydrophobicContact CG1-CG1 4.47Å; V765-V792 HydrophobicContact CG2-CG1 3.91Å; V765-V792 HydrophobicContact CG2-CG2 4.37Å
766K74.1Confident73.4Confident113 Ų11336.2 Ų36.249%0.49118%0.177SC..Hα-helixtrans-72.6-31.5-178.8-176.5167.5171.3-177.10114.1G762 T764 L1068G762-K766 PolarHBondContact O-N 3.11Å; G762-K766 VanDerWaalsContact O-N 3.1Å; T764-K766 VanDerWaalsContact C-N 3.34Å; T764-K766 PolarHBondContact O-N 3.16Å; K766-L1068 HydrophobicContact CD-CB 3.38Å; K766-L1068 HydrophobicContact CD-CD2 3.53Å; K766-L1068 HydrophobicContact CD-CG 4.03Å; K766-L1068 PolarHBondContact NZ-O 3.11Å
767N74.5Confident71.5Confident38 Ų3836.4 Ų36.420%0.20318%0.18CC..THydrogen-bonded Turntrans-111.423-173.3-60.9-57.3000113.2P763 T764 K769 G770 L771 L1015P763-N767 WeakPolarHBondContact O-CB 3Å; P763-N767 PolarHBondContact O-N 2.92Å; P763-N767 VanDerWaalsContact O-N 3.15Å; P763-N767 PolarHBondContact O-ND2 3.23Å; T764-N767 CarbonylContact O-C 3.46Å; T764-N767 PolarHBondContact O-N 3.42Å; N767-K769 PolarHBondContact O-N 2.71Å; N767-G770 CarbonylContact O-C 3.6Å; N767-G770 PolarHBondContact O-N 2.89Å; N767-L771 PolarHBondContact O-N 3.28Å; N767-L1015 HydrophobicContact CB-CB 4.1Å; N767-L1015 HydrophobicContact CB-CD2 4.47Å; N767-L1015 VanDerWaalsContact CB-O 3.24Å; N767-L1015 WeakPolarHBondContact CB-O 3.31Å
768A66.7Low69.9Low21 Ų2137.5 Ų37.517%0.17419%0.187CC..G310 helixtrans-50.3-35.2-173.100000114.3T764 G770 N789T764-A768 WeakPolarHBondContact O-CA 3.27Å; T764-A768 PolarHBondContact O-N 3.11Å; A768-G770 VanDerWaalsContact C-N 3.26Å; A768-G770 PolarHBondContact O-N 2.97Å; A768-N789 WeakPolarHBondContact CB-OD1 3.37Å
769K65.7Low68.5Low188 Ų18838.5 Ų38.582%0.81720%0.197SC*.G310 helixtrans-70.9-10.217771177.2-179.4-178.30116N767N767-K769 PolarHBondContact O-N 2.71Å
770G68.2Low67.1Low21 Ų2138.6 Ų38.622%0.21620%0.197CC..G310 helixtrans-142.719.9-167.200000113.9N767 A768 I772 L1015N767-G770 CarbonylContact O-C 3.6Å; N767-G770 PolarHBondContact O-N 2.89Å; A768-G770 VanDerWaalsContact C-N 3.26Å; A768-G770 PolarHBondContact O-N 2.97Å; G770-I772 PolarHBondContact O-N 2.83Å; G770-L1015 WeakPolarHBondContact O-CD1 3.49Å
771L67Low65.9Low4 Ų437.4 Ų37.42%0.02119%0.19CC..SBendtrans-54.1-24.5-178.2-62.9174.2000112.8T764 N767 P788 N1013 L1015 G1017 T1024 L1028T764-L771 HydrophobicContact CG2-CD1 3.81Å; T764-L771 HydrophobicContact CG2-CD2 3.7Å; T764-L771 HydrophobicContact CG2-CG 4.43Å; N767-L771 PolarHBondContact O-N 3.28Å; L771-P788 HydrophobicContact CD1-CB 3.32Å; L771-P788 HydrophobicContact CD1-CG 3.91Å; L771-N1013 PolarHBondContact O-ND2 2.88Å; L771-L1015 WeakPolarHBondContact CD2-O 3.27Å; L771-G1017 WeakPolarHBondContact O-CA 2.82Å; L771-T1024 HydrophobicContact CB-CG2 4.45Å; L771-L1028 HydrophobicContact CD1-CD1 3.87Å
772I61.6Low65Low17 Ų1740.3 Ų40.39%0.08721%0.205CC..SBendtrans-128133.8178.9-66.2173.2000109.6G770 M774 I784 S1020 T1024G770-I772 PolarHBondContact O-N 2.83Å; I772-M774 HydrophobicContact CG2-CB 4.13Å; I772-M774 HydrophobicContact CG2-CE 3.58Å; I772-M774 HydrophobicContact CG2-CG 4.23Å; I772-I784 HydrophobicContact CB-CD1 3.77Å; I772-I784 HydrophobicContact CB-CG1 4.41Å; I772-I784 HydrophobicContact CD1-CD1 3.14Å; I772-I784 HydrophobicContact CD1-CG1 3.34Å; I772-I784 HydrophobicContact CG1-CD1 3.99Å; I772-I784 HydrophobicContact CG1-CG1 4.31Å; I772-I784 HydrophobicContact CG2-CD1 3.78Å; I772-S1020 WeakPolarHBondContact CD1-O 3.38Å; I772-T1024 HydrophobicContact CD1-CG2 3.99Å; I772-T1024 WeakPolarHBondContact CD1-OG1 3.24Å; I772-T1024 HydrophobicContact CG1-CG2 4.33Å
773R66.4Low64.5Low125 Ų12540.4 Ų40.447%0.47221%0.206SC..  trans-103.261.5179.7-66.7-173.3178.2-179.1-0.1110.9F718 L1015F718-R773 VanDerWaalsContact CZ-NH1 3.34Å; R773-L1015 HydrophobicContact CG-CD1 3.96Å; R773-L1015 VanDerWaalsContact NE-CD1 3.29Å
774M63.8Low63.9Low16 Ų1640.7 Ų40.78%0.07921%0.207CC..SBendtrans-139143.1171.8-63.9-174.6-67.400106.9I772 Y776 S1019 Y1213 Y1215 P1218I772-M774 HydrophobicContact CG2-CB 4.13Å; I772-M774 HydrophobicContact CG2-CE 3.58Å; I772-M774 HydrophobicContact CG2-CG 4.23Å; M774-Y776 WeakPolarHBondContact O-CD1 2.98Å; M774-S1019 WeakPolarHBondContact CE-O 3.23Å; M774-Y1213 HydrophobicContact CG-CE2 4.13Å; M774-Y1213 HydrophobicContact SD-CE2 3.85Å; M774-Y1215 HydrophobicContact CB-CE2 3.95Å; M774-Y1215 HydrophobicContact CE-CE1 4.44Å; M774-Y1215 HydrophobicContact CE-CE2 4.21Å; M774-Y1215 HydrophobicContact SD-CD2 4.14Å; M774-Y1215 HydrophobicContact SD-CE2 4.19Å; M774-P1218 HydrophobicContact SD-CG 4.48Å
775P54Low63.3Low11 Ų1142.9 Ų42.97%0.07122%0.218CC..  trans-69.4149.7-179.931.9-34.6000110V1141 E1143 N1179 Y1181 Y1213P775-V1141 HydrophobicContact CG-CG1 3.77Å; P775-E1143 VanDerWaalsContact CD-OE1 3.28Å; P775-E1143 WeakPolarHBondContact CD-OE1 3.48Å; P775-E1143 HydrophobicContact CG-CG 4.27Å; P775-N1179 HydrophobicContact CB-CB 4.05Å; P775-N1179 VanDerWaalsContact CB-ND2 3.35Å; P775-N1179 WeakPolarHBondContact CB-ND2 3.4Å; P775-N1179 HydrophobicContact CG-CB 4.1Å; P775-Y1181 VanDerWaalsContact CB-OH 3.23Å; P775-Y1181 WeakPolarHBondContact CB-OH 3.36Å; P775-Y1181 PolarHBondContact O-OH 2.86Å; P775-Y1213 WeakPolarHBondContact CD-OH 3.36Å
776Y60Low63.3Low102 Ų10241.6 Ų41.640%0.421%0.21SC..  trans-135.6139.7-170.743.9-93.9000111.1M774 Y1181M774-Y776 WeakPolarHBondContact O-CD1 2.98Å; Y776-Y1181 PolarHBondContact N-OH 3.48Å; Y776-Y1181 VanDerWaalsContact N-OH 3.11Å
777G50.7Low63.3Low6 Ų636.2 Ų36.26%0.06219%0.186CC..  trans-157-31.8-174.400000115.7R1168G777-R1168 VanDerWaalsContact O-CZ 3.27Å; G777-R1168 PolarHBondContact O-NH1 3.01Å
778C55.3Low63.3Low23 Ų2334.5 Ų34.516%0.15518%0.177CC..SBendtrans-76.4159.9174.8-57.60000111.4E780 Q781 N782C778-E780 WeakPolarHBondContact CB-OE2 3.17Å; C778-E780 PolarHBondContact O-N 2.93Å; C778-E780 VanDerWaalsContact O-N 3.17Å; C778-Q781 HydrophobicContact CB-CG 4.41Å; C778-Q781 VanDerWaalsContact N-OE1 3.09Å; C778-Q781 PolarHBondContact O-N 2.88Å; C778-N782 PolarHBondContact O-N 2.82Å
779G55Low63.6Low35 Ų3536.5 Ų36.536%0.36119%0.185SC..Hα-helixtrans-56.7-34.218000000112.1N782 M783 F809G779-N782 PolarHBondContact O-N 3.26Å; G779-M783 PolarHBondContact O-N 2.83Å; G779-F809 WeakPolarHBondContact O-CE1 3.43Å
780E53.1Low64.1Low19 Ų1927.9 Ų27.99%0.08915%0.148CC..Hα-helixtrans-71.7-36.4177.9-50.291.3152.200113.1C778 M783 L820 L870C778-E780 WeakPolarHBondContact CB-OE2 3.17Å; C778-E780 PolarHBondContact O-N 2.93Å; C778-E780 VanDerWaalsContact O-N 3.17Å; E780-M783 WeakPolarHBondContact O-CB 3.48Å; E780-M783 PolarHBondContact O-N 2.87Å; E780-L820 HydrophobicContact CB-CD1 4.06Å; E780-L820 HydrophobicContact CG-CD1 3.29Å; E780-L820 HydrophobicContact CG-CD2 3.4Å; E780-L820 VanDerWaalsContact CG-CD2 3.4Å; E780-L820 HydrophobicContact CG-CG 3.95Å; E780-L820 VanDerWaalsContact OE1-CD2 3.3Å; E780-L820 WeakPolarHBondContact OE1-CD2 3.26Å; E780-L870 HydrophobicContact CB-CD1 3.31Å; E780-L870 HydrophobicContact CG-CD1 4.12Å
781Q56.8Low64.4Low0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-71.6-34.2173.9-66.6172.3-23.100110.3C778 M783 I784C778-Q781 HydrophobicContact CB-CG 4.41Å; C778-Q781 VanDerWaalsContact N-OE1 3.09Å; C778-Q781 PolarHBondContact O-N 2.88Å; Q781-M783 PolarHBondContact O-N 3.01Å; Q781-I784 WeakPolarHBondContact O-CB 2.97Å; Q781-I784 WeakPolarHBondContact O-CG2 3.28Å; Q781-I784 PolarHBondContact O-N 3.35Å; Q781-I784 VanDerWaalsContact O-N 3.11Å
782N62.7Low64.7Low60 Ų6027.6 Ų27.632%0.32114%0.141SC..Hα-helixtrans-66.5-25.4175.3-75.4-19.8000113C778 G779 I784 N785 F809C778-N782 PolarHBondContact O-N 2.82Å; G779-N782 PolarHBondContact O-N 3.26Å; N782-I784 PolarHBondContact O-N 3.1Å; N782-I784 VanDerWaalsContact O-N 3.13Å; N782-N785 PolarHBondContact O-N 3.01Å; N782-F809 HydrophobicContact CB-CD1 4.14Å; N782-F809 HydrophobicContact CB-CE1 3.37Å; N782-F809 HydrophobicContact CB-CZ 4.13Å
783M66.9Low65.1Low4 Ų428.4 Ų28.42%0.0215%0.145CC..G310 helixtrans-59.9-22.4173.2-68.8-64.1-70.800112.7G779 E780 Q781 N785 F786 V787 F809 F823 V824 S827G779-M783 PolarHBondContact O-N 2.83Å; E780-M783 WeakPolarHBondContact O-CB 3.48Å; E780-M783 PolarHBondContact O-N 2.87Å; Q781-M783 PolarHBondContact O-N 3.01Å; M783-N785 PolarHBondContact O-N 3Å; M783-F786 HydrophobicContact CE-CD1 3.62Å; M783-F786 HydrophobicContact CE-CE1 4.12Å; M783-F786 PolarHBondContact O-N 3.46Å; M783-F786 HydrophobicContact SD-CB 4.49Å; M783-F786 HydrophobicContact SD-CD1 3.85Å; M783-V787 HydrophobicContact CB-CG2 4.42Å; M783-V787 HydrophobicContact CE-CG2 3.72Å; M783-V787 WeakPolarHBondContact O-CG2 3.09Å; M783-V787 PolarHBondContact O-N 2.8Å; M783-F809 HydrophobicContact CG-CE1 4.16Å; M783-F809 HydrophobicContact CG-CZ 4.23Å; M783-F809 HydrophobicContact SD-CE1 3.83Å; M783-F809 HydrophobicContact SD-CE2 3.91Å; M783-F809 HydrophobicContact SD-CZ 3.5Å; M783-F809 WeakPolarHBondContact SD-CZ 3.39Å; M783-F823 HydrophobicContact CB-CE1 3.57Å; M783-F823 HydrophobicContact CB-CZ 4.21Å; M783-F823 HydrophobicContact CE-CE1 4.23Å; M783-F823 HydrophobicContact CG-CD1 4.5Å; M783-F823 HydrophobicContact CG-CE1 3.94Å; M783-V824 HydrophobicContact CE-CG2 4.46Å; M783-S827 VanDerWaalsContact CE-OG 3.31Å; M783-S827 WeakPolarHBondContact CE-OG 3.35Å
784I65.1Low65.5Low8 Ų827.6 Ų27.64%0.04114%0.142CC..G310 helixtrans-59-31.2174.5-148.5166.5000113.4I772 Q781 N782 P788 T1021I772-I784 HydrophobicContact CB-CD1 3.77Å; I772-I784 HydrophobicContact CB-CG1 4.41Å; I772-I784 HydrophobicContact CD1-CD1 3.14Å; I772-I784 HydrophobicContact CD1-CG1 3.34Å; I772-I784 HydrophobicContact CG1-CD1 3.99Å; I772-I784 HydrophobicContact CG1-CG1 4.31Å; I772-I784 HydrophobicContact CG2-CD1 3.78Å; Q781-I784 WeakPolarHBondContact O-CB 2.97Å; Q781-I784 WeakPolarHBondContact O-CG2 3.28Å; Q781-I784 PolarHBondContact O-N 3.35Å; Q781-I784 VanDerWaalsContact O-N 3.11Å; N782-I784 PolarHBondContact O-N 3.1Å; N782-I784 VanDerWaalsContact O-N 3.13Å; I784-P788 WeakPolarHBondContact O-CD 3.4Å; I784-P788 WeakPolarHBondContact O-CG 3.35Å; I784-T1021 HydrophobicContact CB-CG2 4.15Å; I784-T1021 HydrophobicContact CD1-CG2 4.35Å; I784-T1021 VanDerWaalsContact CD1-OG1 3.23Å; I784-T1021 WeakPolarHBondContact CD1-OG1 3.27Å; I784-T1021 HydrophobicContact CG1-CG2 3.94Å
785N68.3Low66.1Low46 Ų4626.9 Ų26.925%0.24614%0.139CC..G310 helixtrans-96.8-2.9179.4-67.1-35.6000110.9N782 M783 N789N782-N785 PolarHBondContact O-N 3.01Å; M783-N785 PolarHBondContact O-N 3Å; N785-N789 PolarHBondContact O-ND2 2.88Å
786F72.8Confident67.1Low17 Ų1727.3 Ų27.38%0.07514%0.14CC..THydrogen-bonded Turntrans-103.8-51.7-179.4178.3-110.4000112M783 N789 I790 F809 F828 A831 I835M783-F786 HydrophobicContact CE-CD1 3.62Å; M783-F786 HydrophobicContact CE-CE1 4.12Å; M783-F786 PolarHBondContact O-N 3.46Å; M783-F786 HydrophobicContact SD-CB 4.49Å; M783-F786 HydrophobicContact SD-CD1 3.85Å; F786-N789 WeakPolarHBondContact O-CB 3.41Å; F786-N789 PolarHBondContact O-N 2.92Å; F786-I790 HydrophobicContact CD1-CD1 3.69Å; F786-I790 HydrophobicContact CE1-CD1 3.3Å; F786-I790 HydrophobicContact CE1-CG1 4.39Å; F786-I790 HydrophobicContact CE2-CD1 4.23Å; F786-I790 HydrophobicContact CG-CD1 4.31Å; F786-I790 HydrophobicContact CZ-CD1 3.61Å; F786-I790 HydrophobicContact CZ-CG1 4.31Å; F786-I790 PolarHBondContact O-N 2.92Å; F786-F809 HydrophobicContact CB-CE2 3.81Å; F786-F809 HydrophobicContact CB-CZ 3.71Å; F786-F809 HydrophobicContact CD1-CE2 4.14Å; F786-F809 AromaticContact CD2-CE2 3.97Å; F786-F809 HydrophobicContact CD2-CE2 3.97Å; F786-F809 AromaticContact CG-CE2 3.71Å; F786-F809 HydrophobicContact CG-CE2 3.71Å; F786-F809 HydrophobicContact CG-CZ 4.1Å; F786-F828 AromaticContact CE1-CD1 3.78Å; F786-F828 HydrophobicContact CE1-CD1 3.78Å; F786-F828 AromaticContact CE1-CE1 3.84Å; F786-F828 HydrophobicContact CE1-CE1 3.84Å; F786-F828 HydrophobicContact CZ-CD1 4.08Å; F786-F828 HydrophobicContact CZ-CE1 4.09Å; F786-A831 HydrophobicContact CE1-CB 4.32Å; F786-A831 HydrophobicContact CZ-CB 3.75Å; F786-I835 HydrophobicContact CE2-CD1 3.64Å; F786-I835 HydrophobicContact CZ-CD1 3.85Å
787V74.7Confident67.7Low0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-67.6-44.5-174.1-171.90000113.2M783 N789 I790 I791 F823 S827 M830 V1025M783-V787 HydrophobicContact CB-CG2 4.42Å; M783-V787 HydrophobicContact CE-CG2 3.72Å; M783-V787 WeakPolarHBondContact O-CG2 3.09Å; M783-V787 PolarHBondContact O-N 2.8Å; V787-N789 PolarHBondContact O-N 2.76Å; V787-I790 WeakPolarHBondContact O-CB 3.48Å; V787-I790 PolarHBondContact O-N 2.88Å; V787-I791 HydrophobicContact CG1-CD1 4.16Å; V787-I791 PolarHBondContact O-N 2.89Å; V787-F823 HydrophobicContact CG2-CE2 4.47Å; V787-F823 HydrophobicContact CG2-CZ 3.93Å; V787-S827 WeakPolarHBondContact CG2-OG 3.37Å; V787-M830 HydrophobicContact CG1-CE 4.06Å; V787-V1025 HydrophobicContact CB-CG1 4.35Å; V787-V1025 HydrophobicContact CB-CG2 3.79Å; V787-V1025 HydrophobicContact CG1-CB 4.33Å; V787-V1025 HydrophobicContact CG1-CG1 3.5Å; V787-V1025 VanDerWaalsContact CG1-CG1 3.5Å; V787-V1025 HydrophobicContact CG1-CG2 3.86Å
788P74.4Confident68.7Low1 Ų130.1 Ų30.11%0.00616%0.164CC..Hα-helixtrans-59-32.7173.7-28.139.3000113.3L771 I784 I791 V792 V1025 L1028L771-P788 HydrophobicContact CD1-CB 3.32Å; L771-P788 HydrophobicContact CD1-CG 3.91Å; I784-P788 WeakPolarHBondContact O-CD 3.4Å; I784-P788 WeakPolarHBondContact O-CG 3.35Å; P788-I791 PolarHBondContact O-N 2.88Å; P788-V792 WeakPolarHBondContact O-CB 3.38Å; P788-V792 VanDerWaalsContact O-CG2 3.29Å; P788-V792 WeakPolarHBondContact O-CG2 3.22Å; P788-V792 PolarHBondContact O-N 2.75Å; P788-V1025 HydrophobicContact CG-CG2 4.41Å; P788-L1028 HydrophobicContact CB-CD1 3.98Å; P788-L1028 HydrophobicContact CG-CD1 4.37Å
789N73.8Confident69.7Low64 Ų6429.7 Ų29.734%0.34216%0.161SC..Hα-helixtrans-65-42.4174-69.7-13.6000110.9A768 N785 F786 V787 I791 V792 M793A768-N789 WeakPolarHBondContact CB-OD1 3.37Å; N785-N789 PolarHBondContact O-ND2 2.88Å; F786-N789 WeakPolarHBondContact O-CB 3.41Å; F786-N789 PolarHBondContact O-N 2.92Å; V787-N789 PolarHBondContact O-N 2.76Å; N789-I791 VanDerWaalsContact C-N 3.34Å; N789-I791 PolarHBondContact O-N 3.04Å; N789-V792 PolarHBondContact O-N 2.92Å; N789-M793 WeakPolarHBondContact O-CB 3.48Å; N789-M793 WeakPolarHBondContact O-CG 3.19Å; N789-M793 PolarHBondContact O-N 2.88Å
790I75.5Confident70.4Confident7 Ų735.2 Ų35.24%0.03618%0.182CC..Hα-helixtrans-60.4-43.2174.9-61.2158.7000111.5F786 V787 M793 R794 S827 M830 A831 Y834F786-I790 HydrophobicContact CD1-CD1 3.69Å; F786-I790 HydrophobicContact CE1-CD1 3.3Å; F786-I790 HydrophobicContact CE1-CG1 4.39Å; F786-I790 HydrophobicContact CE2-CD1 4.23Å; F786-I790 HydrophobicContact CG-CD1 4.31Å; F786-I790 HydrophobicContact CZ-CD1 3.61Å; F786-I790 HydrophobicContact CZ-CG1 4.31Å; F786-I790 PolarHBondContact O-N 2.92Å; V787-I790 WeakPolarHBondContact O-CB 3.48Å; V787-I790 PolarHBondContact O-N 2.88Å; I790-M793 PolarHBondContact O-N 2.67Å; I790-R794 WeakPolarHBondContact O-CB 3.41Å; I790-R794 PolarHBondContact O-N 3.1Å; I790-S827 WeakPolarHBondContact CD1-O 3.24Å; I790-M830 HydrophobicContact CG2-CB 3.66Å; I790-A831 HydrophobicContact CD1-CB 3.58Å; I790-A831 HydrophobicContact CG1-CB 3.9Å; I790-Y834 HydrophobicContact CG2-CD2 4.09Å; I790-Y834 HydrophobicContact CG2-CE2 4.04Å
791I74.7Confident71Confident7 Ų738.8 Ų38.84%0.03620%0.197CC..Hα-helixtrans-64.3-45.4178.2-64.9164.3000110.5M761 V787 P788 N789 M793 R794 Y795 V1025 L1028 Q1029 A1032M761-I791 HydrophobicContact CE-CG2 4.29Å; V787-I791 HydrophobicContact CG1-CD1 4.16Å; V787-I791 PolarHBondContact O-N 2.89Å; P788-I791 PolarHBondContact O-N 2.88Å; N789-I791 VanDerWaalsContact C-N 3.34Å; N789-I791 PolarHBondContact O-N 3.04Å; I791-M793 VanDerWaalsContact C-N 3.33Å; I791-M793 PolarHBondContact O-N 3.37Å; I791-R794 PolarHBondContact O-N 3.21Å; I791-Y795 PolarHBondContact O-N 3.17Å; I791-V1025 HydrophobicContact CD1-CG1 4.17Å; I791-V1025 WeakPolarHBondContact CD1-O 3.48Å; I791-L1028 HydrophobicContact CD1-CB 4.33Å; I791-L1028 HydrophobicContact CG2-CB 4.37Å; I791-Q1029 HydrophobicContact CD1-CB 4Å; I791-Q1029 HydrophobicContact CG1-CB 4.45Å; I791-A1032 HydrophobicContact CG2-CB 3.74Å
792V72.2Confident70.7Confident12 Ų1241.8 Ų41.87%0.07321%0.213CC..Hα-helixtrans-59.2-44.4173.9164.60000110.6T764 V765 P788 N789 R794 Y795 L796T764-V792 HydrophobicContact CG2-CG2 3.76Å; V765-V792 HydrophobicContact CG1-CG1 4.47Å; V765-V792 HydrophobicContact CG2-CG1 3.91Å; V765-V792 HydrophobicContact CG2-CG2 4.37Å; P788-V792 WeakPolarHBondContact O-CB 3.38Å; P788-V792 VanDerWaalsContact O-CG2 3.29Å; P788-V792 WeakPolarHBondContact O-CG2 3.22Å; P788-V792 PolarHBondContact O-N 2.75Å; N789-V792 PolarHBondContact O-N 2.92Å; V792-R794 VanDerWaalsContact C-N 3.34Å; V792-R794 PolarHBondContact O-N 3.4Å; V792-Y795 PolarHBondContact O-N 2.81Å; V792-L796 HydrophobicContact CG1-CD1 3.67Å; V792-L796 HydrophobicContact CG1-CG 4.14Å; V792-L796 WeakPolarHBondContact O-CB 3.44Å; V792-L796 VanDerWaalsContact O-CG 3.23Å; V792-L796 WeakPolarHBondContact O-CG 3.48Å; V792-L796 PolarHBondContact O-N 3.33Å
793M70.4Confident69.6Low34 Ų3444.5 Ų44.517%0.16723%0.232CC..Hα-helixtrans-63.3-39.2178-69.9179.587.100112.3N789 I790 I791 K797 L802 Y834N789-M793 WeakPolarHBondContact O-CB 3.48Å; N789-M793 WeakPolarHBondContact O-CG 3.19Å; N789-M793 PolarHBondContact O-N 2.88Å; I790-M793 PolarHBondContact O-N 2.67Å; I791-M793 VanDerWaalsContact C-N 3.33Å; I791-M793 PolarHBondContact O-N 3.37Å; M793-K797 VanDerWaalsContact O-CB 3.24Å; M793-K797 WeakPolarHBondContact O-CB 3.43Å; M793-K797 PolarHBondContact O-N 3.05Å; M793-L802 HydrophobicContact CB-CD1 3.88Å; M793-L802 HydrophobicContact CE-CD1 3.92Å; M793-L802 HydrophobicContact CE-CD2 4.21Å; M793-L802 HydrophobicContact CG-CD1 3.75Å; M793-Y834 HydrophobicContact CB-CD1 3.88Å; M793-Y834 HydrophobicContact CB-CD2 4.26Å; M793-Y834 HydrophobicContact CB-CE1 3.97Å; M793-Y834 HydrophobicContact CB-CE2 4.37Å; M793-Y834 HydrophobicContact CB-CG 4.07Å; M793-Y834 HydrophobicContact CE-CD1 3.96Å; M793-Y834 HydrophobicContact CE-CG 3.94Å; M793-Y834 HydrophobicContact SD-CD1 4.49Å; M793-Y834 HydrophobicContact SD-CG 4.09Å
794R75.2Confident68Low107 Ų10749.2 Ų49.240%0.40426%0.263SS..Hα-helixtrans-62-51.1174.4179.4-176.5173.1133.75.9112.2I790 I791 V792 K797 A798 Y834 H1033 E1036I790-R794 WeakPolarHBondContact O-CB 3.41Å; I790-R794 PolarHBondContact O-N 3.1Å; I791-R794 PolarHBondContact O-N 3.21Å; V792-R794 VanDerWaalsContact C-N 3.34Å; V792-R794 PolarHBondContact O-N 3.4Å; R794-K797 PolarHBondContact O-N 3.16Å; R794-A798 WeakPolarHBondContact O-CB 3.4Å; R794-A798 PolarHBondContact O-N 3.04Å; R794-Y834 WeakPolarHBondContact CA-OH 3.38Å; R794-Y834 HydrophobicContact CB-CE2 4.37Å; R794-Y834 VanDerWaalsContact CB-OH 3.28Å; R794-Y834 WeakPolarHBondContact CB-OH 3.47Å; R794-H1033 PolarHBondContact NH2-CE1 2.97Å; R794-H1033 VanDerWaalsContact NH2-CE1 3.32Å; R794-E1036 IonicContact NE-OE1 2.86Å
795Y76Confident66.5Low1 Ų157.1 Ų57.10%0.00430%0.299CS..Hα-helixtrans-58.3-51.2176.7168.6-101.3000110.8D759 M761 I791 V792 K797 A798 V799 A1035 E1036D759-Y795 PolarHBondContact OD1-OH 3.42Å; D759-Y795 PolarHBondContact OD2-OH 3Å; M761-Y795 HydrophobicContact CB-CD1 3.89Å; M761-Y795 HydrophobicContact CB-CE1 3.94Å; M761-Y795 HydrophobicContact CB-CG 4.31Å; M761-Y795 HydrophobicContact CG-CD1 4.19Å; M761-Y795 HydrophobicContact CG-CD2 4.22Å; M761-Y795 HydrophobicContact CG-CE1 4.45Å; M761-Y795 HydrophobicContact CG-CE2 4.47Å; M761-Y795 HydrophobicContact CG-CG 4.1Å; I791-Y795 PolarHBondContact O-N 3.17Å; V792-Y795 PolarHBondContact O-N 2.81Å; Y795-K797 VanDerWaalsContact C-N 3.27Å; Y795-K797 PolarHBondContact O-N 3.09Å; Y795-A798 WeakPolarHBondContact O-CB 3.42Å; Y795-A798 PolarHBondContact O-N 3.38Å; Y795-V799 HydrophobicContact CD2-CG1 4.35Å; Y795-V799 HydrophobicContact CE1-CG2 4.04Å; Y795-V799 HydrophobicContact CE2-CG1 3.7Å; Y795-V799 HydrophobicContact CE2-CG2 4.47Å; Y795-V799 WeakPolarHBondContact O-CG2 3.47Å; Y795-V799 PolarHBondContact O-N 3.3Å; Y795-A1035 HydrophobicContact CD2-CB 4.11Å; Y795-A1035 HydrophobicContact CE2-CB 3.69Å; Y795-E1036 HydrophobicContact CD2-CG 4.27Å
796L75Confident64.6Low20 Ų2062.6 Ų62.611%0.10533%0.328CS..Hα-helixtrans-60.4-34.5178.6-69.6175.8000112.5V792 D800 K801 L802V792-L796 HydrophobicContact CG1-CD1 3.67Å; V792-L796 HydrophobicContact CG1-CG 4.14Å; V792-L796 WeakPolarHBondContact O-CB 3.44Å; V792-L796 VanDerWaalsContact O-CG 3.23Å; V792-L796 WeakPolarHBondContact O-CG 3.48Å; V792-L796 PolarHBondContact O-N 3.33Å; L796-D800 PolarHBondContact O-N 2.01Å; L796-D800 VanDerWaalsContact O-N 3.16Å; L796-K801 HydrophobicContact CB-CB 4.42Å; L796-K801 HydrophobicContact CD2-CB 3.79Å; L796-K801 PolarHBondContact O-N 3.37Å; L796-L802 HydrophobicContact CB-CB 4.16Å; L796-L802 HydrophobicContact CB-CD1 4.29Å; L796-L802 HydrophobicContact CD1-CD1 4.46Å
797K72Confident62.7Low108 Ų10864.7 Ų64.747%0.4734%0.344SS..Hα-helixtrans-69-40.7173.1-178.5173.8177.4178.20111.8M793 R794 Y795 V799 D800 L802 Y834M793-K797 VanDerWaalsContact O-CB 3.24Å; M793-K797 WeakPolarHBondContact O-CB 3.43Å; M793-K797 PolarHBondContact O-N 3.05Å; R794-K797 PolarHBondContact O-N 3.16Å; Y795-K797 VanDerWaalsContact C-N 3.27Å; Y795-K797 PolarHBondContact O-N 3.09Å; K797-V799 PolarHBondContact O-N 2.93Å; K797-D800 PolarHBondContact O-N 3.03Å; K797-L802 HydrophobicContact CB-CD2 4.23Å; K797-Y834 HydrophobicContact CB-CE1 4.21Å; K797-Y834 HydrophobicContact CD-CE1 3.7Å
798A71.9Confident60.7Low59 Ų5968.6 Ų68.649%0.48838%0.377SS..Hα-helixtrans-66.1-26.3177.900000112.9R794 Y795 E1036R794-A798 WeakPolarHBondContact O-CB 3.4Å; R794-A798 PolarHBondContact O-N 3.04Å; Y795-A798 WeakPolarHBondContact O-CB 3.42Å; Y795-A798 PolarHBondContact O-N 3.38Å; A798-E1036 HydrophobicContact CB-CG 3.88Å
799V77.5Confident58.9Low15 Ų1572.8 Ų72.89%0.09140%0.395CS..THydrogen-bonded Turntrans-105.414177.1-55.20000114.5Y795 K797 K801 Y1039Y795-V799 HydrophobicContact CD2-CG1 4.35Å; Y795-V799 HydrophobicContact CE1-CG2 4.04Å; Y795-V799 HydrophobicContact CE2-CG1 3.7Å; Y795-V799 HydrophobicContact CE2-CG2 4.47Å; Y795-V799 WeakPolarHBondContact O-CG2 3.47Å; Y795-V799 PolarHBondContact O-N 3.3Å; K797-V799 PolarHBondContact O-N 2.93Å; V799-K801 HydrophobicContact CG2-CB 4.21Å; V799-K801 HydrophobicContact CG2-CG 3.92Å; V799-Y1039 HydrophobicContact CB-CE2 4.29Å; V799-Y1039 HydrophobicContact CG1-CD2 3.86Å; V799-Y1039 HydrophobicContact CG1-CE2 4.1Å; V799-Y1039 HydrophobicContact CG1-CG 4.27Å
800D69.4Low57.2Low150 Ų15072.9 Ų72.980%0.80241%0.411SS*.THydrogen-bonded Turntrans56.548179.2-68.8-32.7000115.7L796 K797L796-D800 PolarHBondContact O-N 2.01Å; L796-D800 VanDerWaalsContact O-N 3.16Å; K797-D800 PolarHBondContact O-N 3.03Å
801K66.1Low55.3Low95 Ų9581.5 Ų81.541%0.41345%0.448SS..  trans-130.19.2-178.1-62.8-65.8-178-177.80116L796 V799 I1066L796-K801 HydrophobicContact CB-CB 4.42Å; L796-K801 HydrophobicContact CD2-CB 3.79Å; L796-K801 PolarHBondContact O-N 3.37Å; V799-K801 HydrophobicContact CG2-CB 4.21Å; V799-K801 HydrophobicContact CG2-CG 3.92Å; K801-I1066 HydrophobicContact CB-CD1 4.39Å; K801-I1066 HydrophobicContact CD-CD1 4.04Å; K801-I1066 HydrophobicContact CG-CD1 4.18Å
802L50.4Low53.5Low62 Ų6287.8 Ų87.833%0.32549%0.487SS..  trans-80.4137.8-172.1-177.364.3000114.7M793 L796 K797 Y834M793-L802 HydrophobicContact CB-CD1 3.88Å; M793-L802 HydrophobicContact CE-CD1 3.92Å; M793-L802 HydrophobicContact CE-CD2 4.21Å; M793-L802 HydrophobicContact CG-CD1 3.75Å; L796-L802 HydrophobicContact CB-CB 4.16Å; L796-L802 HydrophobicContact CB-CD1 4.29Å; L796-L802 HydrophobicContact CD1-CD1 4.46Å; K797-L802 HydrophobicContact CB-CD2 4.23Å; L802-Y834 HydrophobicContact CD2-CD1 3.85Å; L802-Y834 HydrophobicContact CD2-CE1 4.05Å
803T39.2Very low51.9Low118 Ų11892.3 Ų92.372%0.72451%0.511SS*.  trans-131.4154.4165.557.40000111.1
804P33.6Very low50.5Low103 Ų10395 Ų9567%0.66953%0.533SS*.  trans-101.6138.6-158.915.82.3000115.1
805E32.9Very low49.4Very low173 Ų17396.8 Ų96.881%0.80855%0.546SS*.  trans-178135.2156.2-95.5135.8-148.700116.4
806L29.8Very low48.4Very low161 Ų16198.7 Ų98.784%0.84357%0.566SS**  trans49148.2149.7-89.1102.2000127.9
807S32.2Very low47.9Very low61 Ų6198.1 Ų98.143%0.42756%0.564SS.*  trans-158163-173.1175.90000114.1
808A32.7Very low47.9Very low82 Ų8293 Ų9368%0.67854%0.541SS*.  trans-167.8145.5173.700000115.1
809F36.7Very low48Very low90 Ų9090.2 Ų90.240%0.39552%0.518SS..  trans-156.7161.6170.8-78.5-78.9000116.9G779 N782 M783 F786G779-F809 WeakPolarHBondContact O-CE1 3.43Å; N782-F809 HydrophobicContact CB-CD1 4.14Å; N782-F809 HydrophobicContact CB-CE1 3.37Å; N782-F809 HydrophobicContact CB-CZ 4.13Å; M783-F809 HydrophobicContact CG-CE1 4.16Å; M783-F809 HydrophobicContact CG-CZ 4.23Å; M783-F809 HydrophobicContact SD-CE1 3.83Å; M783-F809 HydrophobicContact SD-CE2 3.91Å; M783-F809 HydrophobicContact SD-CZ 3.5Å; M783-F809 WeakPolarHBondContact SD-CZ 3.39Å; F786-F809 HydrophobicContact CB-CE2 3.81Å; F786-F809 HydrophobicContact CB-CZ 3.71Å; F786-F809 HydrophobicContact CD1-CE2 4.14Å; F786-F809 AromaticContact CD2-CE2 3.97Å; F786-F809 HydrophobicContact CD2-CE2 3.97Å; F786-F809 AromaticContact CG-CE2 3.71Å; F786-F809 HydrophobicContact CG-CE2 3.71Å; F786-F809 HydrophobicContact CG-CZ 4.1Å
810G37.6Very low47.6Very low66 Ų6690.9 Ų90.968%0.6852%0.521SS*.  trans-135.1-175.4-173.300000116.5
811K36.2Very low47.8Very low187 Ų18784.9 Ų84.981%0.81349%0.49SS*.  trans-143.8134.5-164.1-62.4-176.4175.4-171.10115
812T35.5Very low48.5Very low140 Ų14080.4 Ų80.486%0.85947%0.47SS*.  trans-150-6.917015.30000120.8
813D40.2Very low49.9Very low106 Ų10677.6 Ų77.657%0.56746%0.456SS*.  trans-94163.9-167.8-56.2-49.9000117.8
814S41.3Very low51.7Low90 Ų9073.7 Ų73.763%0.62943%0.432SS*.SBendtrans-87.8-28.2-168.865.60000115.4
815Q50.7Low54Low146 Ų14668.9 Ų68.968%0.68240%0.4SS*.SBendtrans-144.5143168.5-67.4-171.73.600107.7
816G55.2Low56.5Low40 Ų4060.9 Ų60.941%0.41236%0.363SS..  trans-83.4133.4-176.500000111.9F848 N862G816-F848 VanDerWaalsContact O-CZ 3.25Å; G816-F848 WeakPolarHBondContact O-CZ 3.3Å; G816-N862 VanDerWaalsContact O-O 3.05Å
817S64.4Low59Low9 Ų953.3 Ų53.36%0.06332%0.323CS..  trans-68.5134.8173.1154.90000111.7W819 L820 T821 E861 N862 V865S817-W819 PolarHBondContact OG-N 3.45Å; S817-L820 WeakPolarHBondContact OG-CB 3.25Å; S817-L820 PolarHBondContact OG-N 3.21Å; S817-T821 VanDerWaalsContact O-CB 3.29Å; S817-T821 WeakPolarHBondContact O-CB 3.41Å; S817-T821 PolarHBondContact O-N 3.44Å; S817-T821 PolarHBondContact O-OG1 3.06Å; S817-E861 WeakPolarHBondContact CA-OE1 3.29Å; S817-E861 VanDerWaalsContact CB-OE1 3.27Å; S817-E861 WeakPolarHBondContact CB-OE1 3.25Å; S817-E861 PolarHBondContact OG-OE1 3.28Å; S817-N862 WeakPolarHBondContact CA-O 3.37Å; S817-V865 WeakPolarHBondContact OG-CG2 3.39Å
818T73.5Confident61.4Low0 Ų052.8 Ų52.80%031%0.313CS..Hα-helixtrans-59.9-54.2173.7-51.80000110.6L820 T821 A822 L849 Q852 E860 E861 N862 V885T818-L820 PolarHBondContact O-N 2.96Å; T818-T821 PolarHBondContact O-N 3.02Å; T818-A822 PolarHBondContact O-N 3.02Å; T818-L849 HydrophobicContact CG2-CD2 3.99Å; T818-L849 VanDerWaalsContact O-CD2 3.25Å; T818-L849 WeakPolarHBondContact O-CD2 3.06Å; T818-Q852 HydrophobicContact CG2-CB 3.89Å; T818-Q852 HydrophobicContact CG2-CG 4.02Å; T818-E860 WeakPolarHBondContact CB-O 3.36Å; T818-E860 WeakPolarHBondContact CG2-O 3.12Å; T818-E860 PolarHBondContact OG1-O 2.9Å; T818-E861 PolarHBondContact N-OE1 2.52Å; T818-N862 PolarHBondContact N-O 2.79Å; T818-N862 PolarHBondContact OG1-N 2.88Å; T818-N862 VanDerWaalsContact OG1-N 3.17Å; T818-V885 HydrophobicContact CG2-CG2 4.18Å
819W74Confident63.8Low1 Ų150 Ų500%0.00429%0.29CS..Hα-helixtrans-60.4-45.5-179.917789.5000112.3S817 T821 A822 F823 E861 V865 L870 Q871 L881 F884 Q1022S817-W819 PolarHBondContact OG-N 3.45Å; W819-T821 VanDerWaalsContact C-N 3.33Å; W819-T821 PolarHBondContact O-N 2.84Å; W819-A822 WeakPolarHBondContact O-CB 3.46Å; W819-A822 PolarHBondContact O-N 3.06Å; W819-F823 HydrophobicContact CH2-CB 3.86Å; W819-F823 HydrophobicContact CH2-CD1 4.1Å; W819-F823 HydrophobicContact CH2-CD2 4.42Å; W819-F823 AromaticContact CH2-CG 3.88Å; W819-F823 HydrophobicContact CH2-CG 3.88Å; W819-F823 HydrophobicContact CZ2-CB 3.93Å; W819-F823 HydrophobicContact CZ2-CD2 4.36Å; W819-F823 HydrophobicContact CZ2-CG 4.12Å; W819-F823 HydrophobicContact CZ3-CB 4.27Å; W819-F823 PolarHBondContact O-N 2.96Å; W819-E861 WeakPolarHBondContact CB-OE2 3.27Å; W819-E861 PolarHBondContact N-OE1 3.31Å; W819-E861 PolarHBondContact N-OE2 2.8Å; W819-V865 HydrophobicContact CE3-CG1 4.33Å; W819-L870 VanDerWaalsContact CH2-C 3.48Å; W819-L870 HydrophobicContact CH2-CB 3.76Å; W819-L870 WeakPolarHBondContact CH2-O 3.49Å; W819-L870 WeakPolarHBondContact CZ2-O 3.49Å; W819-L870 HydrophobicContact CZ3-CB 3.79Å; W819-Q871 HydrophobicContact CB-CG 4.19Å; W819-Q871 HydrophobicContact CD2-CB 3.92Å; W819-Q871 HydrophobicContact CD2-CG 3.54Å; W819-Q871 HydrophobicContact CE3-CG 3.8Å; W819-Q871 HydrophobicContact CG-CB 3.97Å; W819-Q871 HydrophobicContact CG-CG 3.63Å; W819-L881 HydrophobicContact CB-CD1 3.75Å; W819-L881 HydrophobicContact CG-CD1 4.24Å; W819-F884 AromaticContact CD1-CD1 3.64Å; W819-F884 AromaticContact CD1-CE1 3.78Å; W819-F884 AromaticContact CE2-CE1 3.83Å; W819-F884 AromaticContact CE2-CZ 3.96Å; W819-F884 HydrophobicContact CG-CE1 4.42Å; W819-F884 HydrophobicContact CZ2-CE1 4.33Å; W819-F884 HydrophobicContact CZ2-CZ 4.04Å; W819-F884 AromaticContact NE1-CD1 3.56Å; W819-F884 AromaticContact NE1-CE1 3.39Å; W819-F884 AromaticContact NE1-CG 4Å; W819-F884 AromaticContact NE1-CZ 3.68Å; W819-Q1022 HydrophobicContact CZ2-CG 4.2Å
820L67.8Low66.1Low29 Ų2947.1 Ų47.115%0.15228%0.278CS..Hα-helixtrans-65.4-41.6-178.2178.758000111E780 S817 T818 A822 F823 V824E780-L820 HydrophobicContact CB-CD1 4.06Å; E780-L820 HydrophobicContact CG-CD1 3.29Å; E780-L820 HydrophobicContact CG-CD2 3.4Å; E780-L820 VanDerWaalsContact CG-CD2 3.4Å; E780-L820 HydrophobicContact CG-CG 3.95Å; E780-L820 VanDerWaalsContact OE1-CD2 3.3Å; E780-L820 WeakPolarHBondContact OE1-CD2 3.26Å; S817-L820 WeakPolarHBondContact OG-CB 3.25Å; S817-L820 PolarHBondContact OG-N 3.21Å; T818-L820 PolarHBondContact O-N 2.96Å; L820-A822 VanDerWaalsContact C-N 3.28Å; L820-A822 PolarHBondContact O-N 2.9Å; L820-F823 HydrophobicContact CD1-CD1 4.4Å; L820-F823 PolarHBondContact O-N 3.23Å; L820-V824 HydrophobicContact CD1-CG2 4.13Å; L820-V824 HydrophobicContact CG-CG2 4.45Å; L820-V824 WeakPolarHBondContact O-CG2 3.49Å; L820-V824 PolarHBondContact O-N 2.92Å
821T73.9Confident68.3Low24 Ų2444 Ų4415%0.14725%0.246CC..Hα-helixtrans-61.2-42.1175.9-55.90000110.3S817 T818 W819 F823 V824 V825 F848 L849S817-T821 VanDerWaalsContact O-CB 3.29Å; S817-T821 WeakPolarHBondContact O-CB 3.41Å; S817-T821 PolarHBondContact O-N 3.44Å; S817-T821 PolarHBondContact O-OG1 3.06Å; T818-T821 PolarHBondContact O-N 3.02Å; W819-T821 VanDerWaalsContact C-N 3.33Å; W819-T821 PolarHBondContact O-N 2.84Å; T821-F823 PolarHBondContact O-N 3.23Å; T821-V824 PolarHBondContact O-N 3.4Å; T821-V825 HydrophobicContact CG2-CG2 4.1Å; T821-V825 WeakPolarHBondContact O-CB 3.41Å; T821-V825 WeakPolarHBondContact O-CG2 3.34Å; T821-V825 PolarHBondContact O-N 3.06Å; T821-F848 HydrophobicContact CG2-CD1 3.82Å; T821-F848 HydrophobicContact CG2-CE1 4.37Å; T821-L849 HydrophobicContact CG2-CD1 4.41Å; T821-L849 HydrophobicContact CG2-CD2 4.1Å; T821-L849 HydrophobicContact CG2-CG 4.03Å
822A81.2Confident70.5Confident0 Ų039.9 Ų39.90%023%0.228CC..Hα-helixtrans-61.8-43.6175.100000112.1T818 W819 L820 V825 R826 L849 F884 V885 A888T818-A822 PolarHBondContact O-N 3.02Å; W819-A822 WeakPolarHBondContact O-CB 3.46Å; W819-A822 PolarHBondContact O-N 3.06Å; L820-A822 VanDerWaalsContact C-N 3.28Å; L820-A822 PolarHBondContact O-N 2.9Å; A822-V825 PolarHBondContact O-N 3.17Å; A822-R826 WeakPolarHBondContact O-CB 3.29Å; A822-R826 PolarHBondContact O-N 2.97Å; A822-L849 HydrophobicContact CB-CD1 4.08Å; A822-L849 HydrophobicContact CB-CD2 3.96Å; A822-F884 HydrophobicContact CB-CD1 4.02Å; A822-F884 HydrophobicContact CB-CE1 3.92Å; A822-V885 HydrophobicContact CB-CG2 3.98Å; A822-A888 HydrophobicContact CB-CB 3.89Å; A822-A888 WeakPolarHBondContact O-CB 3.38Å
823F79.2Confident72.7Confident4 Ų436.6 Ų36.62%0.01821%0.211CC..Hα-helixtrans-62.7-44.5177.6177-114.3000112.4M783 V787 W819 L820 T821 S827 F884 Q1022 V1025M783-F823 HydrophobicContact CB-CE1 3.57Å; M783-F823 HydrophobicContact CB-CZ 4.21Å; M783-F823 HydrophobicContact CE-CE1 4.23Å; M783-F823 HydrophobicContact CG-CD1 4.5Å; M783-F823 HydrophobicContact CG-CE1 3.94Å; V787-F823 HydrophobicContact CG2-CE2 4.47Å; V787-F823 HydrophobicContact CG2-CZ 3.93Å; W819-F823 HydrophobicContact CH2-CB 3.86Å; W819-F823 HydrophobicContact CH2-CD1 4.1Å; W819-F823 HydrophobicContact CH2-CD2 4.42Å; W819-F823 AromaticContact CH2-CG 3.88Å; W819-F823 HydrophobicContact CH2-CG 3.88Å; W819-F823 HydrophobicContact CZ2-CB 3.93Å; W819-F823 HydrophobicContact CZ2-CD2 4.36Å; W819-F823 HydrophobicContact CZ2-CG 4.12Å; W819-F823 HydrophobicContact CZ3-CB 4.27Å; W819-F823 PolarHBondContact O-N 2.96Å; L820-F823 HydrophobicContact CD1-CD1 4.4Å; L820-F823 PolarHBondContact O-N 3.23Å; T821-F823 PolarHBondContact O-N 3.23Å; F823-S827 WeakPolarHBondContact O-CB 3.34Å; F823-S827 PolarHBondContact O-N 2.82Å; F823-S827 PolarHBondContact O-OG 3.21Å; F823-F884 HydrophobicContact CB-CE1 4.02Å; F823-F884 HydrophobicContact CB-CZ 3.89Å; F823-F884 HydrophobicContact CD2-CZ 4.03Å; F823-F884 HydrophobicContact CG-CZ 4.44Å; F823-Q1022 VanDerWaalsContact CD2-NE2 3.29Å; F823-V1025 HydrophobicContact CE2-CG1 4.49Å
824V76.7Confident74.4Confident36 Ų3633.9 Ų33.922%0.21819%0.193CC..Hα-helixtrans-66.5-46.7177.9173.20000111.1M783 L820 T821 R826 S827 F828M783-V824 HydrophobicContact CE-CG2 4.46Å; L820-V824 HydrophobicContact CD1-CG2 4.13Å; L820-V824 HydrophobicContact CG-CG2 4.45Å; L820-V824 WeakPolarHBondContact O-CG2 3.49Å; L820-V824 PolarHBondContact O-N 2.92Å; T821-V824 PolarHBondContact O-N 3.4Å; V824-R826 VanDerWaalsContact C-N 3.34Å; V824-R826 PolarHBondContact O-N 3.02Å; V824-S827 WeakPolarHBondContact O-CB 3.46Å; V824-S827 PolarHBondContact O-N 2.98Å; V824-F828 HydrophobicContact CG1-CD2 4.02Å; V824-F828 HydrophobicContact CG1-CE1 4.27Å; V824-F828 HydrophobicContact CG1-CE2 3.76Å; V824-F828 HydrophobicContact CG1-CG 4.39Å; V824-F828 HydrophobicContact CG1-CZ 3.9Å; V824-F828 WeakPolarHBondContact O-CB 3.44Å; V824-F828 WeakPolarHBondContact O-CG 3.43Å; V824-F828 PolarHBondContact O-N 3.19Å
825V82.4Confident76.1Confident2 Ų231.8 Ų31.81%0.01217%0.174CC..Hα-helixtrans-59.8-44.6177.9162.70000111.3T821 A822 F828 A829 L842 S845 L846 L849 N892T821-V825 HydrophobicContact CG2-CG2 4.1Å; T821-V825 WeakPolarHBondContact O-CB 3.41Å; T821-V825 WeakPolarHBondContact O-CG2 3.34Å; T821-V825 PolarHBondContact O-N 3.06Å; A822-V825 PolarHBondContact O-N 3.17Å; V825-F828 PolarHBondContact O-N 2.84Å; V825-A829 WeakPolarHBondContact O-CB 3.09Å; V825-A829 PolarHBondContact O-N 3.05Å; V825-L842 HydrophobicContact CB-CD1 4.32Å; V825-L842 HydrophobicContact CG1-CD1 4.12Å; V825-L842 HydrophobicContact CG2-CD1 4.22Å; V825-S845 VanDerWaalsContact CG2-CB 3.42Å; V825-L846 HydrophobicContact CG1-CD2 3.42Å; V825-L846 VanDerWaalsContact CG1-CD2 3.42Å; V825-L846 HydrophobicContact CG1-CG 3.96Å; V825-L849 HydrophobicContact CB-CD1 4.3Å; V825-L849 HydrophobicContact CG1-CD1 4.33Å; V825-L849 HydrophobicContact CG2-CD1 4.22Å; V825-N892 WeakPolarHBondContact CG1-ND2 3.39Å; V825-N892 PolarHBondContact O-ND2 3.25Å
826R85.2Confident77.3Confident5 Ų532.7 Ų32.72%0.01918%0.176CC..Hα-helixtrans-60.5-47.1175.1-167.9-177.3175.5-156.3-7.5111.4A822 V824 F828 A829 M830 A888 E891 Y987A822-R826 WeakPolarHBondContact O-CB 3.29Å; A822-R826 PolarHBondContact O-N 2.97Å; V824-R826 VanDerWaalsContact C-N 3.34Å; V824-R826 PolarHBondContact O-N 3.02Å; R826-F828 PolarHBondContact O-N 3.29Å; R826-A829 WeakPolarHBondContact O-CB 3.41Å; R826-A829 PolarHBondContact O-N 3.31Å; R826-M830 HydrophobicContact CG-CE 4.48Å; R826-M830 PolarHBondContact O-N 3.23Å; R826-M830 VanDerWaalsContact O-N 3.14Å; R826-A888 HydrophobicContact CB-CB 3.96Å; R826-E891 WeakPolarHBondContact CG-OE2 3.2Å; R826-E891 IonicContact CZ-OE1 2.73Å; R826-E891 IonicContact CZ-OE2 3.33Å; R826-E891 IonicContact NE-OE1 3.04Å; R826-E891 PolarHBondContact NE-OE1 2.77Å; R826-E891 IonicContact NE-OE2 2.83Å; R826-E891 PolarHBondContact NE-OE2 3.33Å; R826-E891 IonicContact NH2-OE1 3.34Å; R826-E891 PolarHBondContact NH2-OE1 2.67Å; R826-E891 IonicContact NH2-OE2 3.84Å; R826-Y987 PolarHBondContact NH1-OH 3.16Å
827S83Confident78.3Confident1 Ų131.7 Ų31.71%0.00716%0.161CC..Hα-helixtrans-61.5-43.2178.4-59.70000112.4M783 V787 I790 F823 V824 M830 A831M783-S827 VanDerWaalsContact CE-OG 3.31Å; M783-S827 WeakPolarHBondContact CE-OG 3.35Å; V787-S827 WeakPolarHBondContact CG2-OG 3.37Å; I790-S827 WeakPolarHBondContact CD1-O 3.24Å; F823-S827 WeakPolarHBondContact O-CB 3.34Å; F823-S827 PolarHBondContact O-N 2.82Å; F823-S827 PolarHBondContact O-OG 3.21Å; V824-S827 WeakPolarHBondContact O-CB 3.46Å; V824-S827 PolarHBondContact O-N 2.98Å; S827-M830 PolarHBondContact O-N 3.32Å; S827-A831 WeakPolarHBondContact O-CB 3.41Å; S827-A831 PolarHBondContact O-N 3Å
828F82.3Confident78.7Confident51 Ų5133.6 Ų33.622%0.22417%0.171CC..Hα-helixtrans-67.5-36.4177.1-78.10.4000112.8F786 V824 V825 R826 M830 A831 K832 I837 L842F786-F828 AromaticContact CE1-CD1 3.78Å; F786-F828 HydrophobicContact CE1-CD1 3.78Å; F786-F828 AromaticContact CE1-CE1 3.84Å; F786-F828 HydrophobicContact CE1-CE1 3.84Å; F786-F828 HydrophobicContact CZ-CD1 4.08Å; F786-F828 HydrophobicContact CZ-CE1 4.09Å; V824-F828 HydrophobicContact CG1-CD2 4.02Å; V824-F828 HydrophobicContact CG1-CE1 4.27Å; V824-F828 HydrophobicContact CG1-CE2 3.76Å; V824-F828 HydrophobicContact CG1-CG 4.39Å; V824-F828 HydrophobicContact CG1-CZ 3.9Å; V824-F828 WeakPolarHBondContact O-CB 3.44Å; V824-F828 WeakPolarHBondContact O-CG 3.43Å; V824-F828 PolarHBondContact O-N 3.19Å; V825-F828 PolarHBondContact O-N 2.84Å; R826-F828 PolarHBondContact O-N 3.29Å; F828-M830 VanDerWaalsContact C-N 3.32Å; F828-M830 PolarHBondContact O-N 2.96Å; F828-A831 PolarHBondContact O-N 2.73Å; F828-A831 VanDerWaalsContact O-N 3.17Å; F828-K832 PolarHBondContact O-N 2.96Å; F828-I837 HydrophobicContact CB-CD1 4.41Å; F828-I837 HydrophobicContact CB-CG1 4.49Å; F828-I837 HydrophobicContact CB-CG2 4.03Å; F828-I837 HydrophobicContact CD1-CD1 4.01Å; F828-I837 HydrophobicContact CD2-CG2 4.11Å; F828-I837 HydrophobicContact CE1-CD1 4.45Å; F828-I837 HydrophobicContact CG-CD1 4.1Å; F828-I837 HydrophobicContact CG-CG2 4.21Å; F828-L842 HydrophobicContact CB-CD1 3.85Å; F828-L842 HydrophobicContact CD2-CD1 4.4Å
829A83.5Confident78.9Confident22 Ų2237.2 Ų37.218%0.18219%0.187CC..Hα-helixtrans-59.4-45.2172.900000111.5V825 R826 A831 K832 N892V825-A829 WeakPolarHBondContact O-CB 3.09Å; V825-A829 PolarHBondContact O-N 3.05Å; R826-A829 WeakPolarHBondContact O-CB 3.41Å; R826-A829 PolarHBondContact O-N 3.31Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-A831 PolarHBondContact O-N 3.25Å; A829-K832 WeakPolarHBondContact O-CB 3.39Å; A829-K832 PolarHBondContact O-N 2.8Å; A829-N892 WeakPolarHBondContact CB-ND2 3.39Å; A829-N892 WeakPolarHBondContact CB-OD1 3.4Å
830M83.7Confident78.8Confident31 Ų3141.4 Ų41.415%0.15321%0.207CC..Hα-helixtrans-64.2-38.3174.4-65.3-172.4-73.200112.1V787 I790 R826 S827 F828 K832 Y834V787-M830 HydrophobicContact CG1-CE 4.06Å; I790-M830 HydrophobicContact CG2-CB 3.66Å; R826-M830 HydrophobicContact CG-CE 4.48Å; R826-M830 PolarHBondContact O-N 3.23Å; R826-M830 VanDerWaalsContact O-N 3.14Å; S827-M830 PolarHBondContact O-N 3.32Å; F828-M830 VanDerWaalsContact C-N 3.32Å; F828-M830 PolarHBondContact O-N 2.96Å; M830-K832 PolarHBondContact O-N 2.97Å; M830-Y834 WeakPolarHBondContact O-CE2 3.44Å
831A84.2Confident78.9Confident0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-71.9-25.7-178.600000114.1F786 I790 S827 F828 A829 S833 Y834 I835 I837F786-A831 HydrophobicContact CE1-CB 4.32Å; F786-A831 HydrophobicContact CZ-CB 3.75Å; I790-A831 HydrophobicContact CD1-CB 3.58Å; I790-A831 HydrophobicContact CG1-CB 3.9Å; S827-A831 WeakPolarHBondContact O-CB 3.41Å; S827-A831 PolarHBondContact O-N 3Å; F828-A831 PolarHBondContact O-N 2.73Å; F828-A831 VanDerWaalsContact O-N 3.17Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-A831 PolarHBondContact O-N 3.25Å; A831-S833 PolarHBondContact O-N 3.3Å; A831-Y834 PolarHBondContact O-N 2.71Å; A831-I835 HydrophobicContact CB-CD1 4.15Å; A831-I835 HydrophobicContact CB-CG1 3.95Å; A831-I835 PolarHBondContact O-N 2.56Å; A831-I837 HydrophobicContact CB-CD1 4.28Å; A831-I837 HydrophobicContact CB-CG1 4.36Å
832K82.5Confident79Confident101 Ų10145.2 Ų45.244%0.43922%0.22SC..THydrogen-bonded Turntrans-53.5-28.1-172.1-169.9178.9-178.7179.70113.8F828 A829 M830 Y834 E839F828-K832 PolarHBondContact O-N 2.96Å; A829-K832 WeakPolarHBondContact O-CB 3.39Å; A829-K832 PolarHBondContact O-N 2.8Å; M830-K832 PolarHBondContact O-N 2.97Å; K832-Y834 VanDerWaalsContact C-N 3.33Å; K832-E839 WeakPolarHBondContact CE-OE1 3.25Å; K832-E839 IonicContact NZ-OE1 3.2Å; K832-E839 PolarHBondContact NZ-OE1 3.46Å
833S81.1Confident78.9Confident71 Ų7149.2 Ų49.250%0.49724%0.242SC..THydrogen-bonded Turntrans-81.3-8.2178.272.20000114.9A831A831-S833 PolarHBondContact O-N 3.3Å
834Y77.3Confident78.6Confident49 Ų4951.8 Ų51.819%0.19226%0.264CS..THydrogen-bonded Turntrans-120.3-33.5-174.8-54.8-66.6000113.5I790 M793 R794 K797 L802 M830 A831 K832I790-Y834 HydrophobicContact CG2-CD2 4.09Å; I790-Y834 HydrophobicContact CG2-CE2 4.04Å; M793-Y834 HydrophobicContact CB-CD1 3.88Å; M793-Y834 HydrophobicContact CB-CD2 4.26Å; M793-Y834 HydrophobicContact CB-CE1 3.97Å; M793-Y834 HydrophobicContact CB-CE2 4.37Å; M793-Y834 HydrophobicContact CB-CG 4.07Å; M793-Y834 HydrophobicContact CE-CD1 3.96Å; M793-Y834 HydrophobicContact CE-CG 3.94Å; M793-Y834 HydrophobicContact SD-CD1 4.49Å; M793-Y834 HydrophobicContact SD-CG 4.09Å; R794-Y834 WeakPolarHBondContact CA-OH 3.38Å; R794-Y834 HydrophobicContact CB-CE2 4.37Å; R794-Y834 VanDerWaalsContact CB-OH 3.28Å; R794-Y834 WeakPolarHBondContact CB-OH 3.47Å; K797-Y834 HydrophobicContact CB-CE1 4.21Å; K797-Y834 HydrophobicContact CD-CE1 3.7Å; L802-Y834 HydrophobicContact CD2-CD1 3.85Å; L802-Y834 HydrophobicContact CD2-CE1 4.05Å; M830-Y834 WeakPolarHBondContact O-CE2 3.44Å; A831-Y834 PolarHBondContact O-N 2.71Å; K832-Y834 VanDerWaalsContact C-N 3.33Å
835I76.6Confident78.7Confident46 Ų4652.1 Ų52.124%0.23627%0.268CS..SBendtrans-137.1157.2-178.662.3170.3000111.1F786 A831 I837F786-I835 HydrophobicContact CE2-CD1 3.64Å; F786-I835 HydrophobicContact CZ-CD1 3.85Å; A831-I835 HydrophobicContact CB-CD1 4.15Å; A831-I835 HydrophobicContact CB-CG1 3.95Å; A831-I835 PolarHBondContact O-N 2.56Å; I835-I837 HydrophobicContact CD1-CD1 3.97Å; I835-I837 HydrophobicContact CG1-CD1 4.04Å; I835-I837 HydrophobicContact CG1-CG1 4.38Å; I835-I837 PolarHBondContact O-N 2.81Å
836F75.8Confident78.6Confident165 Ų16552.4 Ų52.472%0.72427%0.269SS*.  trans-65.9122.8173.5177-99.4000110.8
837I75.8Confident78.4Confident18 Ų1859 Ų599%0.09230%0.298CS..  trans-117.2130.4171.1-60.6-62000108.2F828 A831 I835 E839 L842F828-I837 HydrophobicContact CB-CD1 4.41Å; F828-I837 HydrophobicContact CB-CG1 4.49Å; F828-I837 HydrophobicContact CB-CG2 4.03Å; F828-I837 HydrophobicContact CD1-CD1 4.01Å; F828-I837 HydrophobicContact CD2-CG2 4.11Å; F828-I837 HydrophobicContact CE1-CD1 4.45Å; F828-I837 HydrophobicContact CG-CD1 4.1Å; F828-I837 HydrophobicContact CG-CG2 4.21Å; A831-I837 HydrophobicContact CB-CD1 4.28Å; A831-I837 HydrophobicContact CB-CG1 4.36Å; I835-I837 HydrophobicContact CD1-CD1 3.97Å; I835-I837 HydrophobicContact CG1-CD1 4.04Å; I835-I837 HydrophobicContact CG1-CG1 4.38Å; I835-I837 PolarHBondContact O-N 2.81Å; I837-E839 PolarHBondContact O-N 2.94Å; I837-L842 HydrophobicContact CG2-CD2 4.43Å
838D72.4Confident78.3Confident50 Ų5061.8 Ų61.827%0.26731%0.31SS..  trans-67.798.8176-176.5-11.6000110.4E840 K841 L842D838-E840 PolarHBondContact O-N 2.83Å; D838-E840 PolarHBondContact OD1-N 3.11Å; D838-K841 HydrophobicContact CB-CB 4.37Å; D838-K841 HydrophobicContact CB-CD 4.25Å; D838-K841 HydrophobicContact CB-CG 4.42Å; D838-K841 PolarHBondContact O-N 3.14Å; D838-K841 WeakPolarHBondContact OD2-CD 3.29Å; D838-K841 WeakPolarHBondContact OD2-CE 3.41Å; D838-K841 IonicContact OD2-NZ 2.75Å; D838-K841 PolarHBondContact OD2-NZ 3.33Å; D838-L842 PolarHBondContact O-N 3.38Å
839E79.1Confident78.3Confident75 Ų7559.4 Ų59.435%0.3530%0.3SS..Hα-helixtrans-58.8-27.7-177.4-67.8-171.3148.300113.5K832 I837 L842 N843K832-E839 WeakPolarHBondContact CE-OE1 3.25Å; K832-E839 IonicContact NZ-OE1 3.2Å; K832-E839 PolarHBondContact NZ-OE1 3.46Å; I837-E839 PolarHBondContact O-N 2.94Å; E839-L842 PolarHBondContact O-N 3.19Å; E839-N843 VanDerWaalsContact O-CB 3.25Å; E839-N843 WeakPolarHBondContact O-CB 3.48Å; E839-N843 PolarHBondContact O-N 2.85Å; E839-N843 PolarHBondContact O-ND2 3.02Å
840E72.1Confident78.4Confident89 Ų8962.1 Ų62.142%0.41631%0.309SS..Hα-helixtrans-69.9-42.9178.8-170.5-175.1153.800110.9L284 D838 L842 N843 A844L284-E840 WeakPolarHBondContact CB-OE2 3.43Å; L284-E840 WeakPolarHBondContact CD1-OE2 3.42Å; L284-E840 WeakPolarHBondContact CD2-OE1 2.97Å; D838-E840 PolarHBondContact O-N 2.83Å; D838-E840 PolarHBondContact OD1-N 3.11Å; E840-L842 VanDerWaalsContact C-N 3.33Å; E840-N843 PolarHBondContact O-N 2.92Å; E840-A844 WeakPolarHBondContact O-CB 3.3Å; E840-A844 PolarHBondContact O-N 2.75Å
841K69.6Low78.4Confident126 Ų12664.4 Ų64.455%0.54833%0.328SS..Hα-helixtrans-65.1-39.7173.9-70.7178.6-171.81300111.3D838 A844 S845D838-K841 HydrophobicContact CB-CB 4.37Å; D838-K841 HydrophobicContact CB-CD 4.25Å; D838-K841 HydrophobicContact CB-CG 4.42Å; D838-K841 PolarHBondContact O-N 3.14Å; D838-K841 WeakPolarHBondContact OD2-CD 3.29Å; D838-K841 WeakPolarHBondContact OD2-CE 3.41Å; D838-K841 IonicContact OD2-NZ 2.75Å; D838-K841 PolarHBondContact OD2-NZ 3.33Å; K841-A844 PolarHBondContact O-N 3.18Å; K841-S845 PolarHBondContact O-N 3.09Å; K841-S845 PolarHBondContact O-OG 3.07Å
842L76Confident78.3Confident7 Ų765.5 Ų65.54%0.03733%0.333CS..Hα-helixtrans-61.6-47.8175.9-170.265.2000110.9V825 F828 I837 D838 E839 E840 A844 S845 L846V825-L842 HydrophobicContact CB-CD1 4.32Å; V825-L842 HydrophobicContact CG1-CD1 4.12Å; V825-L842 HydrophobicContact CG2-CD1 4.22Å; F828-L842 HydrophobicContact CB-CD1 3.85Å; F828-L842 HydrophobicContact CD2-CD1 4.4Å; I837-L842 HydrophobicContact CG2-CD2 4.43Å; D838-L842 PolarHBondContact O-N 3.38Å; E839-L842 PolarHBondContact O-N 3.19Å; E840-L842 VanDerWaalsContact C-N 3.33Å; L842-A844 PolarHBondContact O-N 3.2Å; L842-S845 PolarHBondContact O-N 3.35Å; L842-L846 HydrophobicContact CG-CD1 4.25Å; L842-L846 WeakPolarHBondContact O-CG 3.4Å; L842-L846 PolarHBondContact O-N 3.29Å
843N79.5Confident78.6Confident84 Ų8463 Ų6345%0.44932%0.323SS..Hα-helixtrans-65-37.4177.6-73.7-15.9000112.6E839 E840 S845 L846 K847E839-N843 VanDerWaalsContact O-CB 3.25Å; E839-N843 WeakPolarHBondContact O-CB 3.48Å; E839-N843 PolarHBondContact O-N 2.85Å; E839-N843 PolarHBondContact O-ND2 3.02Å; E840-N843 PolarHBondContact O-N 2.92Å; N843-S845 VanDerWaalsContact C-N 3.34Å; N843-L846 PolarHBondContact O-N 2.72Å; N843-K847 WeakPolarHBondContact O-CG 3.36Å; N843-K847 PolarHBondContact O-N 3.24Å
844A72.6Confident79Confident59 Ų5963.5 Ų63.549%0.48832%0.316SS..Hα-helixtrans-63.9-40.4173.900000111.7E840 K841 L842 F848E840-A844 WeakPolarHBondContact O-CB 3.3Å; E840-A844 PolarHBondContact O-N 2.75Å; K841-A844 PolarHBondContact O-N 3.18Å; L842-A844 PolarHBondContact O-N 3.2Å; A844-F848 PolarHBondContact O-N 3.05Å
845S77.1Confident79.3Confident42 Ų4271.3 Ų71.329%0.29435%0.354SS..Hα-helixtrans-68.3-36.8174.3-69.50000112.8V825 K841 L842 N843 F848 L849V825-S845 VanDerWaalsContact CG2-CB 3.42Å; K841-S845 PolarHBondContact O-N 3.09Å; K841-S845 PolarHBondContact O-OG 3.07Å; L842-S845 PolarHBondContact O-N 3.35Å; N843-S845 VanDerWaalsContact C-N 3.34Å; S845-F848 WeakPolarHBondContact O-CB 2.92Å; S845-F848 PolarHBondContact O-N 3.23Å; S845-L849 WeakPolarHBondContact O-CG 3.3Å; S845-L849 PolarHBondContact O-N 3.14Å
846L82Confident79.9Confident8 Ų873.4 Ų73.44%0.04237%0.366CS..Hα-helixtrans-63.5-47.2173.9-73163.9000111.5V825 L842 N843 F848 L849 E850 L889 N892 I894V825-L846 HydrophobicContact CG1-CD2 3.42Å; V825-L846 VanDerWaalsContact CG1-CD2 3.42Å; V825-L846 HydrophobicContact CG1-CG 3.96Å; L842-L846 HydrophobicContact CG-CD1 4.25Å; L842-L846 WeakPolarHBondContact O-CG 3.4Å; L842-L846 PolarHBondContact O-N 3.29Å; N843-L846 PolarHBondContact O-N 2.72Å; L846-F848 VanDerWaalsContact C-N 3.26Å; L846-F848 PolarHBondContact O-N 3.09Å; L846-L849 WeakPolarHBondContact O-CB 3.42Å; L846-L849 PolarHBondContact O-N 3.47Å; L846-E850 PolarHBondContact O-N 3.4Å; L846-L889 HydrophobicContact CD2-CD2 3.85Å; L846-N892 HydrophobicContact CD1-CB 4.04Å; L846-N892 HydrophobicContact CD2-CB 3.91Å; L846-I894 HydrophobicContact CB-CD1 4.15Å; L846-I894 HydrophobicContact CD1-CD1 4.12Å; L846-I894 HydrophobicContact CD2-CD1 3.98Å; L846-I894 HydrophobicContact CG-CD1 4.32Å
847K80.7Confident80.4Confident143 Ų14365.5 Ų65.562%0.62233%0.331SS*.Hα-helixtrans-60-36.3174.2-73.7180-180-177.10112.6N843 S851N843-K847 WeakPolarHBondContact O-CG 3.36Å; N843-K847 PolarHBondContact O-N 3.24Å; K847-S851 PolarHBondContact O-N 3.41Å; K847-S851 VanDerWaalsContact O-N 3.12Å
848F81.5Confident81Confident61 Ų6166.2 Ų66.227%0.26834%0.335SS..Hα-helixtrans-61.2-47.9172.3169.3-97.2000110.8G816 T821 A844 S845 L846 E850 S851 Q852G816-F848 VanDerWaalsContact O-CZ 3.25Å; G816-F848 WeakPolarHBondContact O-CZ 3.3Å; T821-F848 HydrophobicContact CG2-CD1 3.82Å; T821-F848 HydrophobicContact CG2-CE1 4.37Å; A844-F848 PolarHBondContact O-N 3.05Å; S845-F848 WeakPolarHBondContact O-CB 2.92Å; S845-F848 PolarHBondContact O-N 3.23Å; L846-F848 VanDerWaalsContact C-N 3.26Å; L846-F848 PolarHBondContact O-N 3.09Å; F848-E850 PolarHBondContact O-N 3.12Å; F848-S851 PolarHBondContact O-N 2.82Å; F848-S851 VanDerWaalsContact O-N 3.16Å; F848-S851 PolarHBondContact O-OG 2.78Å; F848-Q852 HydrophobicContact CE1-CG 4.21Å; F848-Q852 HydrophobicContact CE2-CG 4.42Å; F848-Q852 HydrophobicContact CZ-CG 4.08Å; F848-Q852 WeakPolarHBondContact O-CG 3.47Å; F848-Q852 PolarHBondContact O-N 3.21Å
849L81.1Confident81.7Confident0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-59.2-46.8178.1-68.9172.7000112.4T818 T821 A822 V825 S845 L846 S851 Q852 F859 V885 L889T818-L849 HydrophobicContact CG2-CD2 3.99Å; T818-L849 VanDerWaalsContact O-CD2 3.25Å; T818-L849 WeakPolarHBondContact O-CD2 3.06Å; T821-L849 HydrophobicContact CG2-CD1 4.41Å; T821-L849 HydrophobicContact CG2-CD2 4.1Å; T821-L849 HydrophobicContact CG2-CG 4.03Å; A822-L849 HydrophobicContact CB-CD1 4.08Å; A822-L849 HydrophobicContact CB-CD2 3.96Å; V825-L849 HydrophobicContact CB-CD1 4.3Å; V825-L849 HydrophobicContact CG1-CD1 4.33Å; V825-L849 HydrophobicContact CG2-CD1 4.22Å; S845-L849 WeakPolarHBondContact O-CG 3.3Å; S845-L849 PolarHBondContact O-N 3.14Å; L846-L849 WeakPolarHBondContact O-CB 3.42Å; L846-L849 PolarHBondContact O-N 3.47Å; L849-S851 PolarHBondContact O-N 2.81Å; L849-Q852 WeakPolarHBondContact O-CB 3.39Å; L849-Q852 PolarHBondContact O-N 3.46Å; L849-F859 VanDerWaalsContact O-CE1 3.27Å; L849-F859 WeakPolarHBondContact O-CE1 3.46Å; L849-V885 HydrophobicContact CD2-CG1 4.47Å; L849-L889 HydrophobicContact CB-CD2 4.34Å
850E86Confident81.7Confident79 Ų7964 Ų6437%0.36932%0.323SS..Hα-helixtrans-56.6-39.1176.5-68.9174.8151.100111.8L846 F848 Q852 Q853 L889L846-E850 PolarHBondContact O-N 3.4Å; F848-E850 PolarHBondContact O-N 3.12Å; E850-Q852 PolarHBondContact O-N 2.82Å; E850-Q852 VanDerWaalsContact O-N 3.15Å; E850-Q853 WeakPolarHBondContact O-CB 3.26Å; E850-Q853 PolarHBondContact O-N 2.8Å; E850-Q853 VanDerWaalsContact O-N 3.15Å; E850-L889 HydrophobicContact CG-CD2 4.36Å
851S83.9Confident81.6Confident79 Ų7961.8 Ų61.855%0.55231%0.312SS*.THydrogen-bonded Turntrans-67.7-10.717774.10000114.8K847 F848 L849K847-S851 PolarHBondContact O-N 3.41Å; K847-S851 VanDerWaalsContact O-N 3.12Å; F848-S851 PolarHBondContact O-N 2.82Å; F848-S851 VanDerWaalsContact O-N 3.16Å; F848-S851 PolarHBondContact O-OG 2.78Å; L849-S851 PolarHBondContact O-N 2.81Å
852Q81.5Confident81.1Confident24 Ų2458.9 Ų58.911%0.11230%0.303CS..THydrogen-bonded Turntrans-93.51.1176.1-50.7-50.6-62.200113T818 F848 L849 E850 F859 E860 N862T818-Q852 HydrophobicContact CG2-CB 3.89Å; T818-Q852 HydrophobicContact CG2-CG 4.02Å; F848-Q852 HydrophobicContact CE1-CG 4.21Å; F848-Q852 HydrophobicContact CE2-CG 4.42Å; F848-Q852 HydrophobicContact CZ-CG 4.08Å; F848-Q852 WeakPolarHBondContact O-CG 3.47Å; F848-Q852 PolarHBondContact O-N 3.21Å; L849-Q852 WeakPolarHBondContact O-CB 3.39Å; L849-Q852 PolarHBondContact O-N 3.46Å; E850-Q852 PolarHBondContact O-N 2.82Å; E850-Q852 VanDerWaalsContact O-N 3.15Å; Q852-F859 HydrophobicContact CB-CD1 4.4Å; Q852-E860 PolarHBondContact O-N 2.9Å; Q852-N862 VanDerWaalsContact OE1-CB 3.29Å; Q852-N862 PolarHBondContact OE1-ND2 3.35Å
853Q89.7Confident80Confident49 Ų4959.8 Ų59.823%0.22931%0.313CS..BIsolated β-bridgetrans-79.1132.6177.8-161.3171.315.900111.3E850 G857 F859 N896E850-Q853 WeakPolarHBondContact O-CB 3.26Å; E850-Q853 PolarHBondContact O-N 2.8Å; E850-Q853 VanDerWaalsContact O-N 3.15Å; Q853-G857 PolarHBondContact NE2-O 2.79Å; Q853-G857 VanDerWaalsContact NE2-O 3.12Å; Q853-F859 HydrophobicContact CB-CD1 3.93Å; Q853-F859 HydrophobicContact CB-CE1 3.51Å; Q853-F859 HydrophobicContact CB-CZ 3.94Å; Q853-F859 HydrophobicContact CG-CD1 4.33Å; Q853-F859 HydrophobicContact CG-CE1 3.93Å; Q853-F859 HydrophobicContact CG-CE2 4.26Å; Q853-F859 HydrophobicContact CG-CZ 3.87Å; Q853-N896 PolarHBondContact NE2-ND2 3.02Å; Q853-N896 PolarHBondContact NE2-OD1 2.88Å; Q853-N896 PolarHBondContact OE1-ND2 3.1Å
854K88.3Confident78.4Confident81 Ų8162.7 Ų62.735%0.35233%0.329SS..  trans-83.4164.5172.1-68.5-168.3175.5174.30111.6N856 G857 M858 E860K854-N856 WeakPolarHBondContact CB-OD1 3.27Å; K854-N856 PolarHBondContact O-N 2.85Å; K854-N856 VanDerWaalsContact O-N 3.13Å; K854-G857 PolarHBondContact O-N 3.14Å; K854-M858 WeakPolarHBondContact CB-O 3.42Å; K854-M858 HydrophobicContact CD-CE 3.78Å; K854-M858 PolarHBondContact N-O 2.93Å; K854-E860 WeakPolarHBondContact CE-OE2 3.21Å; K854-E860 IonicContact NZ-OE1 3.59Å; K854-E860 PolarHBondContact NZ-OE1 2.86Å; K854-E860 IonicContact NZ-OE2 2.71Å; K854-E860 PolarHBondContact NZ-OE2 2.89Å
855E84.9Confident77.1Confident212 Ų21260.7 Ų60.799%0.99131%0.311SS*.THydrogen-bonded Turntrans-57-28.8179-64.2-178.2174.400113.8G857E855-G857 VanDerWaalsContact C-N 3.26Å; E855-G857 PolarHBondContact O-N 2.78Å
856N87.7Confident75.3Confident90 Ų9061.6 Ų61.648%0.48131%0.312SS..THydrogen-bonded Turntrans-82.83.817770.2-12.2000114K854 M858 Y902K854-N856 WeakPolarHBondContact CB-OD1 3.27Å; K854-N856 PolarHBondContact O-N 2.85Å; K854-N856 VanDerWaalsContact O-N 3.13Å; N856-M858 WeakPolarHBondContact OD1-CB 3.49Å; N856-M858 PolarHBondContact OD1-N 3.34Å; N856-M858 VanDerWaalsContact OD1-N 3.1Å; N856-Y902 WeakPolarHBondContact O-CD2 3.17Å
857G87.9Confident73.6Confident0 Ų061.2 Ų61.20%031%0.31CS..SBendtrans88.5-10-178.300000115.3Q853 K854 E855 A899Q853-G857 PolarHBondContact NE2-O 2.79Å; Q853-G857 VanDerWaalsContact NE2-O 3.12Å; K854-G857 PolarHBondContact O-N 3.14Å; E855-G857 VanDerWaalsContact C-N 3.26Å; E855-G857 PolarHBondContact O-N 2.78Å; G857-A899 WeakPolarHBondContact O-CA 3.23Å
858M88.3Confident71.9Confident33 Ų3361.1 Ų61.116%0.16331%0.31CS..PPolyproline II helixtrans-73.8142.8179.3-172.4-177.16600111.7K854 N856 T882 Y902K854-M858 WeakPolarHBondContact CB-O 3.42Å; K854-M858 HydrophobicContact CD-CE 3.78Å; K854-M858 PolarHBondContact N-O 2.93Å; N856-M858 WeakPolarHBondContact OD1-CB 3.49Å; N856-M858 PolarHBondContact OD1-N 3.34Å; N856-M858 VanDerWaalsContact OD1-N 3.1Å; M858-T882 WeakPolarHBondContact CG-OG1 3.35Å; M858-Y902 HydrophobicContact CB-CD1 4.34Å; M858-Y902 HydrophobicContact CB-CD2 4.19Å; M858-Y902 HydrophobicContact CB-CE1 4.01Å; M858-Y902 HydrophobicContact CB-CE2 3.88Å; M858-Y902 HydrophobicContact CB-CG 4.41Å; M858-Y902 HydrophobicContact CG-CE1 3.93Å; M858-Y902 HydrophobicContact CG-CE2 4.32Å; M858-Y902 HydrophobicContact SD-CE2 4.48Å; M858-Y902 PolarHBondContact SD-OH 2.87Å; M858-Y902 VanDerWaalsContact SD-OH 3.35Å
859F86.4Confident70.1Confident0 Ų059.1 Ų59.10%031%0.306CS..BIsolated β-bridgetrans-93.2137.9169.6-70.7-84.6000111.6L849 Q852 Q853 T882 V885 L889 A899L849-F859 VanDerWaalsContact O-CE1 3.27Å; L849-F859 WeakPolarHBondContact O-CE1 3.46Å; Q852-F859 HydrophobicContact CB-CD1 4.4Å; Q853-F859 HydrophobicContact CB-CD1 3.93Å; Q853-F859 HydrophobicContact CB-CE1 3.51Å; Q853-F859 HydrophobicContact CB-CZ 3.94Å; Q853-F859 HydrophobicContact CG-CD1 4.33Å; Q853-F859 HydrophobicContact CG-CE1 3.93Å; Q853-F859 HydrophobicContact CG-CE2 4.26Å; Q853-F859 HydrophobicContact CG-CZ 3.87Å; F859-T882 HydrophobicContact CD2-CG2 3.99Å; F859-T882 PolarHBondContact N-OG1 3.46Å; F859-V885 HydrophobicContact CB-CB 4.35Å; F859-V885 HydrophobicContact CB-CG1 4.49Å; F859-V885 HydrophobicContact CB-CG2 4.19Å; F859-V885 HydrophobicContact CD1-CB 4.43Å; F859-V885 HydrophobicContact CD1-CG1 3.7Å; F859-V885 HydrophobicContact CD2-CB 3.78Å; F859-V885 HydrophobicContact CD2-CG1 3.69Å; F859-V885 HydrophobicContact CE1-CG1 3.72Å; F859-V885 HydrophobicContact CE2-CB 4.18Å; F859-V885 HydrophobicContact CE2-CG1 3.73Å; F859-V885 HydrophobicContact CG-CB 3.93Å; F859-V885 HydrophobicContact CG-CG1 3.69Å; F859-V885 HydrophobicContact CG-CG2 4.25Å; F859-V885 HydrophobicContact CZ-CG1 3.75Å; F859-L889 HydrophobicContact CE1-CD1 4.43Å; F859-L889 HydrophobicContact CE2-CD1 4.3Å; F859-L889 HydrophobicContact CZ-CD1 3.66Å; F859-A899 HydrophobicContact CE2-CB 3.82Å
860E79.2Confident68.4Low79 Ų7959.2 Ų59.237%0.36931%0.307SS..PPolyproline II helixtrans-102.3143175.4-175163.3-125.900111.5T818 Q852 K854 N862T818-E860 WeakPolarHBondContact CB-O 3.36Å; T818-E860 WeakPolarHBondContact CG2-O 3.12Å; T818-E860 PolarHBondContact OG1-O 2.9Å; Q852-E860 PolarHBondContact O-N 2.9Å; K854-E860 WeakPolarHBondContact CE-OE2 3.21Å; K854-E860 IonicContact NZ-OE1 3.59Å; K854-E860 PolarHBondContact NZ-OE1 2.86Å; K854-E860 IonicContact NZ-OE2 2.71Å; K854-E860 PolarHBondContact NZ-OE2 2.89Å; E860-N862 PolarHBondContact O-N 2.88Å
861E69.6Low66.7Low42 Ų4255.6 Ų55.620%0.19629%0.29CS..  trans-79.5106.8170.8-172.462.3-138.100108.7S817 T818 W819 V865 Q871 L881S817-E861 WeakPolarHBondContact CA-OE1 3.29Å; S817-E861 VanDerWaalsContact CB-OE1 3.27Å; S817-E861 WeakPolarHBondContact CB-OE1 3.25Å; S817-E861 PolarHBondContact OG-OE1 3.28Å; T818-E861 PolarHBondContact N-OE1 2.52Å; W819-E861 WeakPolarHBondContact CB-OE2 3.27Å; W819-E861 PolarHBondContact N-OE1 3.31Å; W819-E861 PolarHBondContact N-OE2 2.8Å; E861-V865 HydrophobicContact CG-CG2 3.73Å; E861-V865 WeakPolarHBondContact OE1-CG2 3.49Å; E861-Q871 PolarHBondContact OE2-NE2 2.79Å; E861-L881 HydrophobicContact CB-CD2 3.89Å
862N60.1Low65.2Low65 Ų6552.8 Ų52.835%0.34827%0.273SS..  trans-106135.8170.2-75.2-37.9000108.7G816 S817 T818 Q852 E860G816-N862 VanDerWaalsContact O-O 3.05Å; S817-N862 WeakPolarHBondContact CA-O 3.37Å; T818-N862 PolarHBondContact N-O 2.79Å; T818-N862 PolarHBondContact OG1-N 2.88Å; T818-N862 VanDerWaalsContact OG1-N 3.17Å; Q852-N862 VanDerWaalsContact OE1-CB 3.29Å; Q852-N862 PolarHBondContact OE1-ND2 3.35Å; E860-N862 PolarHBondContact O-N 2.88Å
863G51.9Low63.9Low25 Ų2552.6 Ų52.626%0.25828%0.278SS..SBendtrans96.6157.6-172.900000113.4V865G863-V865 PolarHBondContact O-N 3.1Å
864D46.1Very low62.1Low145 Ų14550.3 Ų50.378%0.77527%0.267SS*.  trans-80.5104.1177.1-76.2-44000109.7L866D864-L866 VanDerWaalsContact C-N 3.26Å; D864-L866 HydrophobicContact CB-CD2 4.31Å; D864-L866 PolarHBondContact O-N 3.29Å
865V45.6Very low60.3Low17 Ų1747.4 Ų47.410%0.10326%0.26CS..  trans-7293.7158.5-159.50000106.5S817 W819 E861 G863 H867 Q871S817-V865 WeakPolarHBondContact OG-CG2 3.39Å; W819-V865 HydrophobicContact CE3-CG1 4.33Å; E861-V865 HydrophobicContact CG-CG2 3.73Å; E861-V865 WeakPolarHBondContact OE1-CG2 3.49Å; G863-V865 PolarHBondContact O-N 3.1Å; V865-H867 HydrophobicContact CG1-CB 4.4Å; V865-H867 PolarHBondContact O-N 2.94Å; V865-Q871 HydrophobicContact CG1-CG 3.94Å
866L40Very low58.8Low61 Ų6145.8 Ų45.832%0.31925%0.253SS..THydrogen-bonded Turntrans-54.3-15.3173.5-63.2172.1000112D864 Q1167D864-L866 VanDerWaalsContact C-N 3.26Å; D864-L866 HydrophobicContact CB-CD2 4.31Å; D864-L866 PolarHBondContact O-N 3.29Å; L866-Q1167 VanDerWaalsContact CD2-NE2 3.29Å
867H45.6Very low57.6Low1 Ų142.4 Ų42.41%0.00524%0.239CC..THydrogen-bonded Turntrans-12659-170.4-70-15.8000111.4V865 G869 L870 M1139 Y1216V865-H867 HydrophobicContact CG1-CB 4.4Å; V865-H867 PolarHBondContact O-N 2.94Å; H867-G869 PolarHBondContact O-N 2.86Å; H867-L870 HydrophobicContact CB-CB 3.97Å; H867-L870 HydrophobicContact CB-CD1 3.6Å; H867-L870 HydrophobicContact CB-CG 3.83Å; H867-L870 WeakPolarHBondContact O-CA 3.39Å; H867-L870 VanDerWaalsContact O-CB 3.27Å; H867-L870 WeakPolarHBondContact O-CB 3.32Å; H867-L870 PolarHBondContact O-N 3.04Å; H867-M1139 PolarHBondContact CE1-SD 2.85Å; H867-M1139 PolarHBondContact ND1-SD 3.21Å; H867-M1139 VanDerWaalsContact ND1-SD 3.35Å; H867-Y1216 VanDerWaalsContact CA-OH 3.3Å; H867-Y1216 WeakPolarHBondContact CA-OH 3.3Å; H867-Y1216 HydrophobicContact CB-CE2 4.48Å; H867-Y1216 WeakPolarHBondContact CB-OH 3.39Å; H867-Y1216 PolarHBondContact ND1-OH 3.01Å; H867-Y1216 VanDerWaalsContact ND1-OH 3.1Å
868K44.7Very low57.2Low141 Ų14143.6 Ų43.661%0.61325%0.251SS*.G310 helixtrans-52.1-31-176.4-65.6-172.1179-173.90114.7Q871K868-Q871 VanDerWaalsContact O-CB 3.24Å; K868-Q871 WeakPolarHBondContact O-CB 3.28Å; K868-Q871 WeakPolarHBondContact O-CG 3.44Å; K868-Q871 PolarHBondContact O-N 2.79Å; K868-Q871 PolarHBondContact O-OE1 2.87Å
869G43.9Very low57Low18 Ų1842.8 Ų42.819%0.18625%0.248CC..G310 helixtrans-82.3-12.7175.800000115H867 Q871 G872H867-G869 PolarHBondContact O-N 2.86Å; G869-Q871 PolarHBondContact O-N 2.75Å; G869-G872 PolarHBondContact O-N 2.74Å
870L44.9Very low57Low3 Ų343.4 Ų43.42%0.01625%0.252CS..G310 helixtrans-63.9-22.2163.6-86.7-177.8000110.2E780 W819 H867 G872 T1021 Q1022 Y1216E780-L870 HydrophobicContact CB-CD1 3.31Å; E780-L870 HydrophobicContact CG-CD1 4.12Å; W819-L870 VanDerWaalsContact CH2-C 3.48Å; W819-L870 HydrophobicContact CH2-CB 3.76Å; W819-L870 WeakPolarHBondContact CH2-O 3.49Å; W819-L870 WeakPolarHBondContact CZ2-O 3.49Å; W819-L870 HydrophobicContact CZ3-CB 3.79Å; H867-L870 HydrophobicContact CB-CB 3.97Å; H867-L870 HydrophobicContact CB-CD1 3.6Å; H867-L870 HydrophobicContact CB-CG 3.83Å; H867-L870 WeakPolarHBondContact O-CA 3.39Å; H867-L870 VanDerWaalsContact O-CB 3.27Å; H867-L870 WeakPolarHBondContact O-CB 3.32Å; H867-L870 PolarHBondContact O-N 3.04Å; L870-G872 PolarHBondContact O-N 2.77Å; L870-T1021 VanDerWaalsContact CD2-CB 3.43Å; L870-T1021 HydrophobicContact CD2-CG2 3.88Å; L870-T1021 WeakPolarHBondContact CD2-OG1 3.41Å; L870-Q1022 WeakPolarHBondContact O-CG 3.45Å; L870-Q1022 PolarHBondContact O-NE2 3.44Å; L870-Y1216 HydrophobicContact CB-CE1 4.22Å; L870-Y1216 HydrophobicContact CD2-CE1 4.41Å; L870-Y1216 HydrophobicContact CG-CE1 3.85Å
871Q49.8Very low57.3Low3 Ų339.6 Ų39.61%0.01423%0.234CC..G310 helixtrans-72.3-1.2174.5-47.1177-79.100112.8W819 E861 V865 K868 G869 S874 G875W819-Q871 HydrophobicContact CB-CG 4.19Å; W819-Q871 HydrophobicContact CD2-CB 3.92Å; W819-Q871 HydrophobicContact CD2-CG 3.54Å; W819-Q871 HydrophobicContact CE3-CG 3.8Å; W819-Q871 HydrophobicContact CG-CB 3.97Å; W819-Q871 HydrophobicContact CG-CG 3.63Å; E861-Q871 PolarHBondContact OE2-NE2 2.79Å; V865-Q871 HydrophobicContact CG1-CG 3.94Å; K868-Q871 VanDerWaalsContact O-CB 3.24Å; K868-Q871 WeakPolarHBondContact O-CB 3.28Å; K868-Q871 WeakPolarHBondContact O-CG 3.44Å; K868-Q871 PolarHBondContact O-N 2.79Å; K868-Q871 PolarHBondContact O-OE1 2.87Å; G869-Q871 PolarHBondContact O-N 2.75Å; Q871-S874 VanDerWaalsContact O-CA 3.3Å; Q871-S874 WeakPolarHBondContact O-CA 3.34Å; Q871-S874 WeakPolarHBondContact O-CB 3.09Å; Q871-S874 PolarHBondContact O-N 2.84Å; Q871-G875 PolarHBondContact OE1-O 3.02Å
872G54.2Low58.3Low19 Ų1937.6 Ų37.620%0.19623%0.225CC..G310 helixtrans61.5-144.6-169.900000110.1G869 L870 S874 E983G869-G872 PolarHBondContact O-N 2.74Å; L870-G872 PolarHBondContact O-N 2.77Å; G872-S874 PolarHBondContact O-N 2.88Å; G872-E983 WeakPolarHBondContact CA-OE2 3.46Å
873G53.3Low59.7Low21 Ų2134.5 Ų34.522%0.21621%0.208CC..G310 helixtrans-70.2-6.2165.800000113.8G875 Y915G873-G875 VanDerWaalsContact C-N 3.3Å; G873-G875 PolarHBondContact O-N 2.79Å; G873-Y915 VanDerWaalsContact C-CZ 3.49Å; G873-Y915 VanDerWaalsContact N-CE2 3.27Å; G873-Y915 PolarHBondContact N-OH 2.77Å; G873-Y915 VanDerWaalsContact N-OH 3.11Å
874S52.2Low61.5Low0 Ų033.3 Ų33.30%020%0.196CC..G310 helixtrans-81.2-7-177.6-53.70000114.6Q871 G872 Q876 G877 P880 Y915 L919Q871-S874 VanDerWaalsContact O-CA 3.3Å; Q871-S874 WeakPolarHBondContact O-CA 3.34Å; Q871-S874 WeakPolarHBondContact O-CB 3.09Å; Q871-S874 PolarHBondContact O-N 2.84Å; G872-S874 PolarHBondContact O-N 2.88Å; S874-Q876 VanDerWaalsContact C-N 3.27Å; S874-Q876 PolarHBondContact O-N 3.04Å; S874-G877 PolarHBondContact O-N 2.82Å; S874-P880 PolarHBondContact OG-O 3.44Å; S874-Y915 VanDerWaalsContact N-CE1 3.3Å; S874-Y915 PolarHBondContact N-OH 2.85Å; S874-Y915 VanDerWaalsContact N-OH 3.14Å; S874-Y915 WeakPolarHBondContact OG-CE1 3.27Å; S874-Y915 PolarHBondContact OG-OH 2.9Å; S874-L919 WeakPolarHBondContact OG-CD2 3.3Å
875G50.6Low63.6Low21 Ų2126.4 Ų26.422%0.21616%0.159CC..G310 helixtrans-75.1-10.9-174.700000117.1Q871 G873 G877Q871-G875 PolarHBondContact OE1-O 3.02Å; G873-G875 VanDerWaalsContact C-N 3.3Å; G873-G875 PolarHBondContact O-N 2.79Å; G875-G877 PolarHBondContact O-N 2.82Å
876Q53.9Low65.9Low178 Ų17825.7 Ų25.783%0.83216%0.155SC*.G310 helixtrans-70.3-6.4173.7-63.3-174.3-7.600112.5S874S874-Q876 VanDerWaalsContact C-N 3.27Å; S874-Q876 PolarHBondContact O-N 3.04Å
877G61.9Low68.3Low18 Ų1822.8 Ų22.819%0.18614%0.139CC..  trans73.6-169.1-170.600000111.6S874 G875S874-G877 PolarHBondContact O-N 2.82Å; G875-G877 PolarHBondContact O-N 2.82Å
878G78.2Confident70.3Confident26 Ų2622.7 Ų22.727%0.26814%0.139SC..SBendtrans73.2-134.817700000113.5L881 T882G878-L881 PolarHBondContact O-N 3.5Å; G878-T882 WeakPolarHBondContact O-CB 3.46Å; G878-T882 PolarHBondContact O-N 3.5Å; G878-T882 PolarHBondContact O-OG1 3.32Å
879V85.1Confident72.6Confident16 Ų1616 Ų1610%0.09711%0.11CC..Hα-helixtrans-63.3-47.8-171.9-1740000112.7L881 T882 A883 Y902 L903 I910 V920V879-L881 PolarHBondContact O-N 3.44Å; V879-T882 PolarHBondContact O-N 3.44Å; V879-A883 WeakPolarHBondContact O-CB 3.41Å; V879-A883 PolarHBondContact O-N 2.92Å; V879-Y902 HydrophobicContact CG2-CE1 3.99Å; V879-L903 HydrophobicContact CG1-CD2 3.76Å; V879-I910 HydrophobicContact CB-CG2 4.02Å; V879-I910 HydrophobicContact CG1-CD1 4.11Å; V879-I910 HydrophobicContact CG1-CG2 4.02Å; V879-I910 HydrophobicContact CG2-CG2 4.03Å; V879-V920 HydrophobicContact CG1-CG2 3.79Å
880P86.3Confident74.9Confident12 Ų1216.6 Ų16.68%0.07811%0.107CC..Hα-helixtrans-61.6-40.4176.7-30.140.9000114.8S874 A883 F884 Y915 A916 L919S874-P880 PolarHBondContact OG-O 3.44Å; P880-A883 PolarHBondContact O-N 3.28Å; P880-F884 WeakPolarHBondContact O-CB 2.95Å; P880-F884 PolarHBondContact O-N 2.82Å; P880-Y915 HydrophobicContact CB-CE1 4.12Å; P880-A916 HydrophobicContact CG-CB 3.81Å; P880-L919 VanDerWaalsContact O-CD2 3.24Å; P880-L919 WeakPolarHBondContact O-CD2 3.27Å
881L85.1Confident77Confident0 Ų018.8 Ų18.80%012%0.118CC..Hα-helixtrans-64.9-45.6176.4177.261.9000110.5W819 E861 G878 V879 A883 F884 V885W819-L881 HydrophobicContact CB-CD1 3.75Å; W819-L881 HydrophobicContact CG-CD1 4.24Å; E861-L881 HydrophobicContact CB-CD2 3.89Å; G878-L881 PolarHBondContact O-N 3.5Å; V879-L881 PolarHBondContact O-N 3.44Å; L881-A883 VanDerWaalsContact C-N 3.3Å; L881-A883 PolarHBondContact O-N 3.17Å; L881-F884 PolarHBondContact O-N 3.48Å; L881-F884 VanDerWaalsContact O-N 3.15Å; L881-V885 HydrophobicContact CD1-CG2 3.96Å; L881-V885 HydrophobicContact CG-CG2 4.28Å; L881-V885 WeakPolarHBondContact O-CG2 3.35Å; L881-V885 PolarHBondContact O-N 2.92Å
882T90.4Very high78.9Confident0 Ų020.4 Ų20.40%013%0.127CC..Hα-helixtrans-60-42.3178.4-58.30000111.2M858 F859 G878 V879 V885 F886 A899 Y902 L903M858-T882 WeakPolarHBondContact CG-OG1 3.35Å; F859-T882 HydrophobicContact CD2-CG2 3.99Å; F859-T882 PolarHBondContact N-OG1 3.46Å; G878-T882 WeakPolarHBondContact O-CB 3.46Å; G878-T882 PolarHBondContact O-N 3.5Å; G878-T882 PolarHBondContact O-OG1 3.32Å; V879-T882 PolarHBondContact O-N 3.44Å; T882-V885 PolarHBondContact O-N 3.26Å; T882-F886 VanDerWaalsContact O-CB 3.27Å; T882-F886 WeakPolarHBondContact O-CB 3.23Å; T882-F886 PolarHBondContact O-N 2.92Å; T882-A899 HydrophobicContact CG2-CB 4.11Å; T882-Y902 HydrophobicContact CG2-CD1 3.72Å; T882-Y902 HydrophobicContact CG2-CE1 4.2Å; T882-L903 HydrophobicContact CG2-CD2 3.96Å; T882-L903 HydrophobicContact CG2-CG 4.19Å
883A91Very high80.5Confident0 Ų022.5 Ų22.50%015%0.148CC..Hα-helixtrans-63.8-41.3175.500000112.3V879 P880 L881 L887 L903 L919 V920 V923V879-A883 WeakPolarHBondContact O-CB 3.41Å; V879-A883 PolarHBondContact O-N 2.92Å; P880-A883 PolarHBondContact O-N 3.28Å; L881-A883 VanDerWaalsContact C-N 3.3Å; L881-A883 PolarHBondContact O-N 3.17Å; A883-L887 PolarHBondContact O-N 3.43Å; A883-L903 HydrophobicContact CB-CD1 4.04Å; A883-L903 HydrophobicContact CB-CD2 3.91Å; A883-L919 HydrophobicContact CB-CD2 3.9Å; A883-L919 HydrophobicContact CB-CG 3.79Å; A883-V920 HydrophobicContact CB-CG2 3.95Å; A883-V923 HydrophobicContact CB-CG2 3.94Å; A883-V923 WeakPolarHBondContact O-CG2 3.42Å
884F89.3Confident82.2Confident0 Ų023.6 Ų23.60%015%0.148CC..Hα-helixtrans-66.5-45177.2-173.7-95.1000112.7W819 A822 F823 P880 L881 L887 A888 L919W819-F884 AromaticContact CD1-CD1 3.64Å; W819-F884 AromaticContact CD1-CE1 3.78Å; W819-F884 AromaticContact CE2-CE1 3.83Å; W819-F884 AromaticContact CE2-CZ 3.96Å; W819-F884 HydrophobicContact CG-CE1 4.42Å; W819-F884 HydrophobicContact CZ2-CE1 4.33Å; W819-F884 HydrophobicContact CZ2-CZ 4.04Å; W819-F884 AromaticContact NE1-CD1 3.56Å; W819-F884 AromaticContact NE1-CE1 3.39Å; W819-F884 AromaticContact NE1-CG 4Å; W819-F884 AromaticContact NE1-CZ 3.68Å; A822-F884 HydrophobicContact CB-CD1 4.02Å; A822-F884 HydrophobicContact CB-CE1 3.92Å; F823-F884 HydrophobicContact CB-CE1 4.02Å; F823-F884 HydrophobicContact CB-CZ 3.89Å; F823-F884 HydrophobicContact CD2-CZ 4.03Å; F823-F884 HydrophobicContact CG-CZ 4.44Å; P880-F884 WeakPolarHBondContact O-CB 2.95Å; P880-F884 PolarHBondContact O-N 2.82Å; L881-F884 PolarHBondContact O-N 3.48Å; L881-F884 VanDerWaalsContact O-N 3.15Å; F884-L887 PolarHBondContact O-N 2.98Å; F884-A888 PolarHBondContact O-N 2.96Å; F884-A888 VanDerWaalsContact O-N 3.13Å; F884-L919 HydrophobicContact CB-CD2 4.21Å
885V88.7Confident84Confident0 Ų029.4 Ų29.40%018%0.176CC..Hα-helixtrans-65.7-40.8177177.70000110.6T818 A822 L849 F859 L881 T882 L887 A888 L889T818-V885 HydrophobicContact CG2-CG2 4.18Å; A822-V885 HydrophobicContact CB-CG2 3.98Å; L849-V885 HydrophobicContact CD2-CG1 4.47Å; F859-V885 HydrophobicContact CB-CB 4.35Å; F859-V885 HydrophobicContact CB-CG1 4.49Å; F859-V885 HydrophobicContact CB-CG2 4.19Å; F859-V885 HydrophobicContact CD1-CB 4.43Å; F859-V885 HydrophobicContact CD1-CG1 3.7Å; F859-V885 HydrophobicContact CD2-CB 3.78Å; F859-V885 HydrophobicContact CD2-CG1 3.69Å; F859-V885 HydrophobicContact CE1-CG1 3.72Å; F859-V885 HydrophobicContact CE2-CB 4.18Å; F859-V885 HydrophobicContact CE2-CG1 3.73Å; F859-V885 HydrophobicContact CG-CB 3.93Å; F859-V885 HydrophobicContact CG-CG1 3.69Å; F859-V885 HydrophobicContact CG-CG2 4.25Å; F859-V885 HydrophobicContact CZ-CG1 3.75Å; L881-V885 HydrophobicContact CD1-CG2 3.96Å; L881-V885 HydrophobicContact CG-CG2 4.28Å; L881-V885 WeakPolarHBondContact O-CG2 3.35Å; L881-V885 PolarHBondContact O-N 2.92Å; T882-V885 PolarHBondContact O-N 3.26Å; V885-L887 VanDerWaalsContact C-N 3.33Å; V885-L887 PolarHBondContact O-N 3.44Å; V885-A888 WeakPolarHBondContact O-CB 3.37Å; V885-A888 PolarHBondContact O-N 3.08Å; V885-A888 VanDerWaalsContact O-N 3.14Å; V885-L889 HydrophobicContact CG1-CD1 4.27Å; V885-L889 HydrophobicContact CG1-CG 4.44Å; V885-L889 WeakPolarHBondContact O-CG 3.34Å; V885-L889 PolarHBondContact O-N 3.48Å
886F93.8Very high85.9Confident1 Ų128.9 Ų28.90%0.00417%0.168CC..Hα-helixtrans-56.5-46.1173.2176.4-84.1000111.5T882 A888 L889 F890 N896 A899 L900 L903 V923 A927T882-F886 VanDerWaalsContact O-CB 3.27Å; T882-F886 WeakPolarHBondContact O-CB 3.23Å; T882-F886 PolarHBondContact O-N 2.92Å; F886-A888 VanDerWaalsContact C-N 3.31Å; F886-A888 PolarHBondContact O-N 3.02Å; F886-L889 PolarHBondContact O-N 3.02Å; F886-F890 HydrophobicContact CD1-CB 4.3Å; F886-F890 HydrophobicContact CE1-CB 3.94Å; F886-F890 AromaticContact CE1-CD2 4Å; F886-F890 HydrophobicContact CE1-CD2 4Å; F886-F890 HydrophobicContact CE1-CG 4.09Å; F886-F890 HydrophobicContact CZ-CB 4.36Å; F886-F890 AromaticContact CZ-CD2 3.87Å; F886-F890 HydrophobicContact CZ-CD2 3.87Å; F886-F890 HydrophobicContact CZ-CG 4.39Å; F886-F890 VanDerWaalsContact O-CB 3.23Å; F886-F890 WeakPolarHBondContact O-CB 3.45Å; F886-F890 PolarHBondContact O-N 2.9Å; F886-N896 HydrophobicContact CD2-CB 4.28Å; F886-N896 HydrophobicContact CE2-CB 4.47Å; F886-N896 WeakPolarHBondContact CE2-O 3.48Å; F886-A899 HydrophobicContact CD2-CB 4.09Å; F886-L900 HydrophobicContact CE2-CB 3.94Å; F886-L900 HydrophobicContact CE2-CD1 4.34Å; F886-L900 HydrophobicContact CZ-CB 4.49Å; F886-L900 HydrophobicContact CZ-CD1 4.12Å; F886-L903 HydrophobicContact CB-CD1 4.35Å; F886-V923 HydrophobicContact CD1-CB 4.45Å; F886-V923 HydrophobicContact CD1-CG1 3.25Å; F886-V923 HydrophobicContact CE1-CG1 3.52Å; F886-V923 HydrophobicContact CG-CG1 4.06Å; F886-V923 HydrophobicContact CZ-CG1 4.49Å; F886-A927 HydrophobicContact CE1-CB 4.09Å; F886-A927 HydrophobicContact CZ-CB 3.88Å
887L90.5Very high87.7Confident0 Ų024.3 Ų24.30%016%0.156CC..Hα-helixtrans-59-42.7176-77.7167.8000112.1A883 F884 V885 L889 F890 E891 L919 Y922 V923 R926 Y987A883-L887 PolarHBondContact O-N 3.43Å; F884-L887 PolarHBondContact O-N 2.98Å; V885-L887 VanDerWaalsContact C-N 3.33Å; V885-L887 PolarHBondContact O-N 3.44Å; L887-L889 PolarHBondContact O-N 3.29Å; L887-F890 PolarHBondContact O-N 3.31Å; L887-E891 WeakPolarHBondContact O-CB 3.39Å; L887-E891 WeakPolarHBondContact O-CG 3.49Å; L887-E891 PolarHBondContact O-N 2.75Å; L887-L919 HydrophobicContact CD1-CD1 3.62Å; L887-Y922 HydrophobicContact CD1-CD1 3.88Å; L887-Y922 HydrophobicContact CD1-CE1 4.05Å; L887-Y922 HydrophobicContact CD2-CD1 3.94Å; L887-Y922 HydrophobicContact CD2-CE1 3.69Å; L887-V923 HydrophobicContact CD1-CG2 3.74Å; L887-V923 HydrophobicContact CD2-CG2 3.93Å; L887-V923 HydrophobicContact CG-CG2 3.52Å; L887-R926 HydrophobicContact CD2-CG 4.48Å; L887-Y987 HydrophobicContact CD1-CE1 4.36Å
888A89.4Confident89.2Confident0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-62.1-4217800000112.1A822 R826 F884 V885 F886 N892A822-A888 HydrophobicContact CB-CB 3.89Å; A822-A888 WeakPolarHBondContact O-CB 3.38Å; R826-A888 HydrophobicContact CB-CB 3.96Å; F884-A888 PolarHBondContact O-N 2.96Å; F884-A888 VanDerWaalsContact O-N 3.13Å; V885-A888 WeakPolarHBondContact O-CB 3.37Å; V885-A888 PolarHBondContact O-N 3.08Å; V885-A888 VanDerWaalsContact O-N 3.14Å; F886-A888 VanDerWaalsContact C-N 3.31Å; F886-A888 PolarHBondContact O-N 3.02Å; A888-N892 PolarHBondContact O-N 3.49Å; A888-N892 PolarHBondContact O-ND2 2.91Å
889L92.1Very high89.9Confident0 Ų027.6 Ų27.60%016%0.159CC..Hα-helixtrans-66.7-47.9175.2-66.9175.5000111.4L846 L849 E850 F859 V885 F886 L887 E891 N892 G893 I894 N896L846-L889 HydrophobicContact CD2-CD2 3.85Å; L849-L889 HydrophobicContact CB-CD2 4.34Å; E850-L889 HydrophobicContact CG-CD2 4.36Å; F859-L889 HydrophobicContact CE1-CD1 4.43Å; F859-L889 HydrophobicContact CE2-CD1 4.3Å; F859-L889 HydrophobicContact CZ-CD1 3.66Å; V885-L889 HydrophobicContact CG1-CD1 4.27Å; V885-L889 HydrophobicContact CG1-CG 4.44Å; V885-L889 WeakPolarHBondContact O-CG 3.34Å; V885-L889 PolarHBondContact O-N 3.48Å; F886-L889 PolarHBondContact O-N 3.02Å; L887-L889 PolarHBondContact O-N 3.29Å; L889-E891 PolarHBondContact O-N 2.68Å; L889-N892 CarbonylContact O-C 3.53Å; L889-N892 WeakPolarHBondContact O-CA 3.49Å; L889-N892 PolarHBondContact O-N 2.83Å; L889-G893 PolarHBondContact O-N 3.05Å; L889-I894 CarbonylContact C-O 3.56Å; L889-I894 HydrophobicContact CB-CB 4.19Å; L889-I894 HydrophobicContact CB-CG2 4.45Å; L889-I894 HydrophobicContact CD2-CD1 4.26Å; L889-I894 PolarHBondContact O-N 2.89Å; L889-N896 HydrophobicContact CD1-CB 4.32Å
890F92.4Very high90.3Very high30 Ų3028.2 Ų28.213%0.13216%0.162CC..Hα-helixtrans-63.1-42.2-177.6-173.7-90.9000112.5F886 L887 N892 G893 I894 R926 A927F886-F890 HydrophobicContact CD1-CB 4.3Å; F886-F890 HydrophobicContact CE1-CB 3.94Å; F886-F890 AromaticContact CE1-CD2 4Å; F886-F890 HydrophobicContact CE1-CD2 4Å; F886-F890 HydrophobicContact CE1-CG 4.09Å; F886-F890 HydrophobicContact CZ-CB 4.36Å; F886-F890 AromaticContact CZ-CD2 3.87Å; F886-F890 HydrophobicContact CZ-CD2 3.87Å; F886-F890 HydrophobicContact CZ-CG 4.39Å; F886-F890 VanDerWaalsContact O-CB 3.23Å; F886-F890 WeakPolarHBondContact O-CB 3.45Å; F886-F890 PolarHBondContact O-N 2.9Å; L887-F890 PolarHBondContact O-N 3.31Å; F890-N892 PolarHBondContact O-N 2.74Å; F890-G893 PolarHBondContact O-N 2.99Å; F890-I894 WeakPolarHBondContact CA-O 3.46Å; F890-I894 PolarHBondContact N-O 3.11Å; F890-R926 HydrophobicContact CE1-CB 4.26Å; F890-R926 VanDerWaalsContact CZ-O 3.27Å; F890-R926 WeakPolarHBondContact CZ-O 3.42Å; F890-A927 HydrophobicContact CE2-CB 4.44Å
891E88.4Confident90.6Very high49 Ų4931.5 Ų31.523%0.22918%0.178CC..Hα-helixtrans-67.7-18.1175.9-72.2179.2-177.700112.7R826 L887 L889R826-E891 WeakPolarHBondContact CG-OE2 3.2Å; R826-E891 IonicContact CZ-OE1 2.73Å; R826-E891 IonicContact CZ-OE2 3.33Å; R826-E891 IonicContact NE-OE1 3.04Å; R826-E891 PolarHBondContact NE-OE1 2.77Å; R826-E891 IonicContact NE-OE2 2.83Å; R826-E891 PolarHBondContact NE-OE2 3.33Å; R826-E891 IonicContact NH2-OE1 3.34Å; R826-E891 PolarHBondContact NH2-OE1 2.67Å; R826-E891 IonicContact NH2-OE2 3.84Å; L887-E891 WeakPolarHBondContact O-CB 3.39Å; L887-E891 WeakPolarHBondContact O-CG 3.49Å; L887-E891 PolarHBondContact O-N 2.75Å; L889-E891 PolarHBondContact O-N 2.68Å
892N89Confident91Very high38 Ų3833.2 Ų33.220%0.20319%0.185CC..THydrogen-bonded Turntrans-91.86.3169.9-78.5-86.7000113.4V825 A829 L846 A888 L889 F890V825-N892 WeakPolarHBondContact CG1-ND2 3.39Å; V825-N892 PolarHBondContact O-ND2 3.25Å; A829-N892 WeakPolarHBondContact CB-ND2 3.39Å; A829-N892 WeakPolarHBondContact CB-OD1 3.4Å; L846-N892 HydrophobicContact CD1-CB 4.04Å; L846-N892 HydrophobicContact CD2-CB 3.91Å; A888-N892 PolarHBondContact O-N 3.49Å; A888-N892 PolarHBondContact O-ND2 2.91Å; L889-N892 CarbonylContact O-C 3.53Å; L889-N892 WeakPolarHBondContact O-CA 3.49Å; L889-N892 PolarHBondContact O-N 2.83Å; F890-N892 PolarHBondContact O-N 2.74Å
893G88.8Confident91.2Very high63 Ų6333.2 Ų33.265%0.64919%0.185SC*.THydrogen-bonded Turntrans82.99.2179.200000114.9L889 F890L889-G893 PolarHBondContact O-N 3.05Å; F890-G893 PolarHBondContact O-N 2.99Å
894I89.4Confident91.3Very high43 Ų4335.3 Ų35.322%0.22120%0.195CC..  trans-92.8116.9176.6-56.9-177.4000109.2L846 L889 F890L846-I894 HydrophobicContact CB-CD1 4.15Å; L846-I894 HydrophobicContact CD1-CD1 4.12Å; L846-I894 HydrophobicContact CD2-CD1 3.98Å; L846-I894 HydrophobicContact CG-CD1 4.32Å; L889-I894 CarbonylContact C-O 3.56Å; L889-I894 HydrophobicContact CB-CB 4.19Å; L889-I894 HydrophobicContact CB-CG2 4.45Å; L889-I894 HydrophobicContact CD2-CD1 4.26Å; L889-I894 PolarHBondContact O-N 2.89Å; F890-I894 WeakPolarHBondContact CA-O 3.46Å; F890-I894 PolarHBondContact N-O 3.11Å
895Q89Confident91.4Very high123 Ų12341.1 Ų41.158%0.57522%0.222SC*.  trans-84.4131.2171.9-61.9-64.1-27.100109.3
896N91.8Very high91.5Very high10 Ų1041.6 Ų41.65%0.05323%0.225CC..  trans-127.793.3178.6-170.5-54.8000109.6Q853 F886 L889 E898 A899 L900Q853-N896 PolarHBondContact NE2-ND2 3.02Å; Q853-N896 PolarHBondContact NE2-OD1 2.88Å; Q853-N896 PolarHBondContact OE1-ND2 3.1Å; F886-N896 HydrophobicContact CD2-CB 4.28Å; F886-N896 HydrophobicContact CE2-CB 4.47Å; F886-N896 WeakPolarHBondContact CE2-O 3.48Å; L889-N896 HydrophobicContact CD1-CB 4.32Å; N896-E898 VanDerWaalsContact C-N 3.32Å; N896-E898 PolarHBondContact OD1-OE2 2.79Å; N896-A899 HydrophobicContact CB-CB 4.34Å; N896-A899 WeakPolarHBondContact OD1-CB 3.46Å; N896-A899 PolarHBondContact OD1-N 3.35Å; N896-L900 PolarHBondContact O-N 3.44Å; N896-L900 VanDerWaalsContact O-N 3.14Å
897S91.8Very high91.3Very high82 Ų8241.9 Ų41.957%0.57323%0.227SC*.Hα-helixtrans-70.2-30.8-173.8-60.40000112.2L900 N901S897-L900 PolarHBondContact O-N 2.98Å; S897-N901 VanDerWaalsContact O-CB 3.31Å; S897-N901 WeakPolarHBondContact O-CB 3.35Å; S897-N901 PolarHBondContact O-N 2.95Å
898E92.6Very high91.1Very high112 Ų11248 Ų4852%0.52326%0.26SS..Hα-helixtrans-65.2-48.7178.8-62.879.1-176.200110.9N896 N901 Y902N896-E898 VanDerWaalsContact C-N 3.32Å; N896-E898 PolarHBondContact OD1-OE2 2.79Å; E898-N901 PolarHBondContact O-N 3.3Å; E898-Y902 PolarHBondContact O-N 3.12Å
899A92.7Very high90.9Very high0 Ų055.9 Ų55.90%030%0.296CS..Hα-helixtrans-65.5-40.5175.300000111.2G857 F859 T882 F886 N896 N901 Y902 L903G857-A899 WeakPolarHBondContact O-CA 3.23Å; F859-A899 HydrophobicContact CE2-CB 3.82Å; T882-A899 HydrophobicContact CG2-CB 4.11Å; F886-A899 HydrophobicContact CD2-CB 4.09Å; N896-A899 HydrophobicContact CB-CB 4.34Å; N896-A899 WeakPolarHBondContact OD1-CB 3.46Å; N896-A899 PolarHBondContact OD1-N 3.35Å; A899-N901 PolarHBondContact O-N 2.86Å; A899-Y902 WeakPolarHBondContact O-CB 3.4Å; A899-Y902 PolarHBondContact O-N 2.68Å; A899-L903 VanDerWaalsContact O-CG 3.26Å; A899-L903 WeakPolarHBondContact O-CG 3.47Å; A899-L903 PolarHBondContact O-N 3.48Å
900L93.6Very high90.6Very high29 Ų2956.5 Ų56.515%0.15230%0.3CS..Hα-helixtrans-60.2-46.5176.6-173.564.5000111.5F886 N896 S897 Y902 L903 E904 L924 A927F886-L900 HydrophobicContact CE2-CB 3.94Å; F886-L900 HydrophobicContact CE2-CD1 4.34Å; F886-L900 HydrophobicContact CZ-CB 4.49Å; F886-L900 HydrophobicContact CZ-CD1 4.12Å; N896-L900 PolarHBondContact O-N 3.44Å; N896-L900 VanDerWaalsContact O-N 3.14Å; S897-L900 PolarHBondContact O-N 2.98Å; L900-Y902 VanDerWaalsContact C-N 3.35Å; L900-Y902 PolarHBondContact O-N 3.48Å; L900-L903 PolarHBondContact O-N 3.43Å; L900-E904 WeakPolarHBondContact O-CG 3.1Å; L900-E904 PolarHBondContact O-N 3.05Å; L900-L924 HydrophobicContact CD1-CD2 3.68Å; L900-A927 HydrophobicContact CD1-CB 3.8Å; L900-A927 HydrophobicContact CD2-CB 4.17Å
901N93.3Very high90.2Very high81 Ų8157 Ų5743%0.43331%0.307SS..Hα-helixtrans-62-41.5177.7-171.822.1000111.7S897 E898 A899 L903 E904 Q905S897-N901 VanDerWaalsContact O-CB 3.31Å; S897-N901 WeakPolarHBondContact O-CB 3.35Å; S897-N901 PolarHBondContact O-N 2.95Å; E898-N901 PolarHBondContact O-N 3.3Å; A899-N901 PolarHBondContact O-N 2.86Å; N901-L903 VanDerWaalsContact C-N 3.34Å; N901-L903 PolarHBondContact O-N 2.82Å; N901-E904 PolarHBondContact O-N 3.04Å; N901-Q905 VanDerWaalsContact CG-NE2 3.31Å; N901-Q905 PolarHBondContact ND2-NE2 3.11Å; N901-Q905 WeakPolarHBondContact O-CG 3.33Å; N901-Q905 PolarHBondContact O-N 2.82Å; N901-Q905 PolarHBondContact OD1-NE2 3.42Å
902Y93.4Very high89.9Confident37 Ų3761.8 Ų61.815%0.14533%0.334CS..Hα-helixtrans-58.9-44173.8175.8-95.7000112.2N856 M858 V879 T882 E898 A899 L900 Q905 S906N856-Y902 WeakPolarHBondContact O-CD2 3.17Å; M858-Y902 HydrophobicContact CB-CD1 4.34Å; M858-Y902 HydrophobicContact CB-CD2 4.19Å; M858-Y902 HydrophobicContact CB-CE1 4.01Å; M858-Y902 HydrophobicContact CB-CE2 3.88Å; M858-Y902 HydrophobicContact CB-CG 4.41Å; M858-Y902 HydrophobicContact CG-CE1 3.93Å; M858-Y902 HydrophobicContact CG-CE2 4.32Å; M858-Y902 HydrophobicContact SD-CE2 4.48Å; M858-Y902 PolarHBondContact SD-OH 2.87Å; M858-Y902 VanDerWaalsContact SD-OH 3.35Å; V879-Y902 HydrophobicContact CG2-CE1 3.99Å; T882-Y902 HydrophobicContact CG2-CD1 3.72Å; T882-Y902 HydrophobicContact CG2-CE1 4.2Å; E898-Y902 PolarHBondContact O-N 3.12Å; A899-Y902 WeakPolarHBondContact O-CB 3.4Å; A899-Y902 PolarHBondContact O-N 2.68Å; L900-Y902 VanDerWaalsContact C-N 3.35Å; L900-Y902 PolarHBondContact O-N 3.48Å; Y902-Q905 PolarHBondContact O-N 3.22Å; Y902-S906 VanDerWaalsContact O-CB 3.31Å; Y902-S906 WeakPolarHBondContact O-CB 3.28Å; Y902-S906 PolarHBondContact O-N 3.08Å; Y902-S906 PolarHBondContact O-OG 3.48Å
903L93.3Very high89.7Confident0 Ų062.5 Ų62.50%034%0.337CS..Hα-helixtrans-66.9-38.8178.2-64.7174.9000112.2V879 T882 A883 F886 A899 L900 N901 S906 V920 V923V879-L903 HydrophobicContact CG1-CD2 3.76Å; T882-L903 HydrophobicContact CG2-CD2 3.96Å; T882-L903 HydrophobicContact CG2-CG 4.19Å; A883-L903 HydrophobicContact CB-CD1 4.04Å; A883-L903 HydrophobicContact CB-CD2 3.91Å; F886-L903 HydrophobicContact CB-CD1 4.35Å; A899-L903 VanDerWaalsContact O-CG 3.26Å; A899-L903 WeakPolarHBondContact O-CG 3.47Å; A899-L903 PolarHBondContact O-N 3.48Å; L900-L903 PolarHBondContact O-N 3.43Å; N901-L903 VanDerWaalsContact C-N 3.34Å; N901-L903 PolarHBondContact O-N 2.82Å; L903-S906 PolarHBondContact O-N 3.01Å; L903-V920 HydrophobicContact CB-CG1 4.47Å; L903-V920 HydrophobicContact CD2-CG2 4.16Å; L903-V923 HydrophobicContact CD1-CG1 3.76Å
904E93.3Very high89.6Confident44 Ų4459.7 Ų59.721%0.20631%0.308CS..Hα-helixtrans-62.1-41175.1-73.4-177.7174.500112.4L900 N901 S906 L924 S929 K931L900-E904 WeakPolarHBondContact O-CG 3.1Å; L900-E904 PolarHBondContact O-N 3.05Å; N901-E904 PolarHBondContact O-N 3.04Å; E904-S906 VanDerWaalsContact C-N 3.34Å; E904-L924 HydrophobicContact CG-CD2 3.8Å; E904-S929 VanDerWaalsContact OE1-CB 3.3Å; E904-S929 WeakPolarHBondContact OE1-CB 3.48Å; E904-S929 PolarHBondContact OE1-OG 3.36Å; E904-K931 HydrophobicContact CB-CG 4.21Å; E904-K931 HydrophobicContact CG-CB 4.22Å; E904-K931 HydrophobicContact CG-CG 4.09Å
905Q91.5Very high89.4Confident122 Ų12258.1 Ų58.157%0.5730%0.299SS*.Hα-helixtrans-74.2-25.6177.9-68174.726.900113N901 Y902 L907N901-Q905 VanDerWaalsContact CG-NE2 3.31Å; N901-Q905 PolarHBondContact ND2-NE2 3.11Å; N901-Q905 WeakPolarHBondContact O-CG 3.33Å; N901-Q905 PolarHBondContact O-N 2.82Å; N901-Q905 PolarHBondContact OD1-NE2 3.42Å; Y902-Q905 PolarHBondContact O-N 3.22Å; Q905-L907 VanDerWaalsContact C-N 3.31Å; Q905-L907 PolarHBondContact O-N 3.46Å
906S91Very high89.3Confident9 Ų952.3 Ų52.36%0.06327%0.272CS..THydrogen-bonded Turntrans-79.4-9.4-176.9-640000114.1Y902 L903 E904 D908 H909 I910Y902-S906 VanDerWaalsContact O-CB 3.31Å; Y902-S906 WeakPolarHBondContact O-CB 3.28Å; Y902-S906 PolarHBondContact O-N 3.08Å; Y902-S906 PolarHBondContact O-OG 3.48Å; L903-S906 PolarHBondContact O-N 3.01Å; E904-S906 VanDerWaalsContact C-N 3.34Å; S906-D908 VanDerWaalsContact C-N 3.31Å; S906-D908 PolarHBondContact O-N 3.43Å; S906-H909 WeakPolarHBondContact O-CB 3.38Å; S906-H909 PolarHBondContact O-N 3.4Å; S906-I910 PolarHBondContact O-N 2.84Å
907L90.4Very high89.3Confident8 Ų851.8 Ų51.84%0.04227%0.269CS..THydrogen-bonded Turntrans-54.3-42.8-173.7-74.8176.1000113.6Q905 H909 I910 S911 L917 V920 L924 K931 A935Q905-L907 VanDerWaalsContact C-N 3.31Å; Q905-L907 PolarHBondContact O-N 3.46Å; L907-H909 VanDerWaalsContact C-N 3.29Å; L907-H909 PolarHBondContact O-N 2.73Å; L907-I910 WeakPolarHBondContact O-CG1 3.2Å; L907-I910 PolarHBondContact O-N 3.04Å; L907-S911 PolarHBondContact O-N 2.98Å; L907-L917 HydrophobicContact CD2-CD2 4.4Å; L907-V920 HydrophobicContact CD2-CG1 3.71Å; L907-L924 HydrophobicContact CD1-CD1 4.06Å; L907-L924 HydrophobicContact CD2-CD1 4.05Å; L907-L924 HydrophobicContact CG-CD1 4.41Å; L907-K931 HydrophobicContact CD1-CB 3.88Å; L907-K931 HydrophobicContact CD1-CG 4.48Å; L907-A935 HydrophobicContact CD1-CB 4.21Å; L907-A935 HydrophobicContact CD2-CB 3.69Å
908D86Confident89.3Confident129 Ų12947.9 Ų47.969%0.6924%0.242SC*.THydrogen-bonded Turntrans-65.2-35.9-179.4-62.7-31.9000111.9S906 I910 S911S906-D908 VanDerWaalsContact C-N 3.31Å; S906-D908 PolarHBondContact O-N 3.43Å; D908-I910 VanDerWaalsContact C-N 3.35Å; D908-I910 PolarHBondContact O-N 3.28Å; D908-S911 WeakPolarHBondContact O-CB 3.25Å; D908-S911 PolarHBondContact O-OG 2.86Å
909H84.7Confident89.3Confident164 Ų16442.6 Ų42.676%0.75922%0.217SC*.THydrogen-bonded Turntrans-74.9-24.9-177.2-63.267.1000112.6S906 L907S906-H909 WeakPolarHBondContact O-CB 3.38Å; S906-H909 PolarHBondContact O-N 3.4Å; L907-H909 VanDerWaalsContact C-N 3.29Å; L907-H909 PolarHBondContact O-N 2.73Å
910I86Confident89.3Confident14 Ų1442.6 Ų42.67%0.07222%0.217CC..THydrogen-bonded Turntrans-102.96.9-179.965.9167.4000113.4V879 S906 L907 D908 N912 N913 A916 L917 V920V879-I910 HydrophobicContact CB-CG2 4.02Å; V879-I910 HydrophobicContact CG1-CD1 4.11Å; V879-I910 HydrophobicContact CG1-CG2 4.02Å; V879-I910 HydrophobicContact CG2-CG2 4.03Å; S906-I910 PolarHBondContact O-N 2.84Å; L907-I910 WeakPolarHBondContact O-CG1 3.2Å; L907-I910 PolarHBondContact O-N 3.04Å; D908-I910 VanDerWaalsContact C-N 3.35Å; D908-I910 PolarHBondContact O-N 3.28Å; I910-N912 PolarHBondContact O-N 2.75Å; I910-N913 PolarHBondContact O-N 3.14Å; I910-A916 HydrophobicContact CB-CB 4.03Å; I910-A916 HydrophobicContact CD1-CB 4.14Å; I910-A916 HydrophobicContact CG2-CB 4.12Å; I910-L917 HydrophobicContact CD1-CD2 3.94Å; I910-L917 HydrophobicContact CD1-CG 4.18Å; I910-L917 HydrophobicContact CG1-CD2 3.92Å; I910-L917 HydrophobicContact CG1-CG 4.13Å; I910-L917 WeakPolarHBondContact O-CD1 3.39Å; I910-L917 WeakPolarHBondContact O-CG 3.47Å; I910-V920 HydrophobicContact CD1-CB 3.98Å; I910-V920 HydrophobicContact CD1-CG1 4.28Å; I910-V920 HydrophobicContact CD1-CG2 3.74Å
911S83.4Confident89.4Confident40 Ų4041.2 Ų41.228%0.2821%0.21SC..THydrogen-bonded Turntrans-52.7-27.5-174.150.30000115.7L907 D908 L917L907-S911 PolarHBondContact O-N 2.98Å; D908-S911 WeakPolarHBondContact O-CB 3.25Å; D908-S911 PolarHBondContact O-OG 2.86Å; S911-L917 VanDerWaalsContact O-CD1 3.3Å; S911-L917 WeakPolarHBondContact O-CD1 3.29Å
912N82.1Confident89.5Confident149 Ų14937.7 Ų37.780%0.79719%0.191SC*.THydrogen-bonded Turntrans-101.91.3177-73.9-18.9000114.1I910I910-N912 PolarHBondContact O-N 2.75Å
913N85Confident89.5Confident53 Ų5336 Ų3628%0.28318%0.184SC..  trans-103.294.3-178.6-174.4-23.3000109.9I910 Y915 A916 L917I910-N913 PolarHBondContact O-N 3.14Å; N913-Y915 VanDerWaalsContact C-N 3.26Å; N913-Y915 PolarHBondContact O-N 2.8Å; N913-Y915 PolarHBondContact OD1-N 3.37Å; N913-A916 HydrophobicContact CB-CB 3.95Å; N913-A916 PolarHBondContact O-N 2.71Å; N913-A916 PolarHBondContact OD1-N 2.79Å; N913-A916 VanDerWaalsContact OD1-N 3.07Å; N913-L917 WeakPolarHBondContact O-CB 3.28Å; N913-L917 PolarHBondContact O-N 2.87Å
914S86.9Confident89.7Confident4 Ų436 Ų363%0.02818%0.184CC..Hα-helixtrans-57.8-35.7-176.752.80000113.5A918 T960 T961S914-A918 VanDerWaalsContact O-CB 3.32Å; S914-A918 WeakPolarHBondContact O-CB 3.17Å; S914-A918 PolarHBondContact O-N 3Å; S914-T960 VanDerWaalsContact OG-C 3.26Å; S914-T960 PolarHBondContact OG-O 3.23Å; S914-T961 WeakPolarHBondContact OG-CG2 3.16Å
915Y86.2Confident89.8Confident11 Ų1134.6 Ų34.64%0.04318%0.178CC..Hα-helixtrans-66.7-51.9175.7177.5-84.9000112G873 S874 P880 N913 L917 A918 L919 A980 E983 A984G873-Y915 VanDerWaalsContact C-CZ 3.49Å; G873-Y915 VanDerWaalsContact N-CE2 3.27Å; G873-Y915 PolarHBondContact N-OH 2.77Å; G873-Y915 VanDerWaalsContact N-OH 3.11Å; S874-Y915 VanDerWaalsContact N-CE1 3.3Å; S874-Y915 PolarHBondContact N-OH 2.85Å; S874-Y915 VanDerWaalsContact N-OH 3.14Å; S874-Y915 WeakPolarHBondContact OG-CE1 3.27Å; S874-Y915 PolarHBondContact OG-OH 2.9Å; P880-Y915 HydrophobicContact CB-CE1 4.12Å; N913-Y915 VanDerWaalsContact C-N 3.26Å; N913-Y915 PolarHBondContact O-N 2.8Å; N913-Y915 PolarHBondContact OD1-N 3.37Å; Y915-L917 VanDerWaalsContact C-N 3.31Å; Y915-L917 PolarHBondContact O-N 2.76Å; Y915-A918 PolarHBondContact O-N 2.8Å; Y915-L919 PolarHBondContact O-N 2.89Å; Y915-A980 HydrophobicContact CD2-CB 4.18Å; Y915-E983 HydrophobicContact CE2-CB 4.15Å; Y915-E983 HydrophobicContact CE2-CG 3.84Å; Y915-E983 WeakPolarHBondContact CE2-OE2 3.31Å; Y915-E983 VanDerWaalsContact OH-CD 3.31Å; Y915-E983 PolarHBondContact OH-OE1 2.77Å; Y915-E983 PolarHBondContact OH-OE2 3.2Å; Y915-A984 HydrophobicContact CD2-CB 4.09Å
916A87.3Confident89.9Confident0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-61-42.9-179.200000111P880 I910 N913 L919 V920P880-A916 HydrophobicContact CG-CB 3.81Å; I910-A916 HydrophobicContact CB-CB 4.03Å; I910-A916 HydrophobicContact CD1-CB 4.14Å; I910-A916 HydrophobicContact CG2-CB 4.12Å; N913-A916 HydrophobicContact CB-CB 3.95Å; N913-A916 PolarHBondContact O-N 2.71Å; N913-A916 PolarHBondContact OD1-N 2.79Å; N913-A916 VanDerWaalsContact OD1-N 3.07Å; A916-L919 PolarHBondContact O-N 2.88Å; A916-V920 WeakPolarHBondContact O-CB 3.36Å; A916-V920 VanDerWaalsContact O-CG2 3.24Å; A916-V920 WeakPolarHBondContact O-CG2 3.12Å; A916-V920 PolarHBondContact O-N 3.47Å
917L90.9Very high90Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-64.1-40176.4-81.4168.7000113L907 I910 S911 N913 Y915 L919 S921 L938 L939 L942L907-L917 HydrophobicContact CD2-CD2 4.4Å; I910-L917 HydrophobicContact CD1-CD2 3.94Å; I910-L917 HydrophobicContact CD1-CG 4.18Å; I910-L917 HydrophobicContact CG1-CD2 3.92Å; I910-L917 HydrophobicContact CG1-CG 4.13Å; I910-L917 WeakPolarHBondContact O-CD1 3.39Å; I910-L917 WeakPolarHBondContact O-CG 3.47Å; S911-L917 VanDerWaalsContact O-CD1 3.3Å; S911-L917 WeakPolarHBondContact O-CD1 3.29Å; N913-L917 WeakPolarHBondContact O-CB 3.28Å; N913-L917 PolarHBondContact O-N 2.87Å; Y915-L917 VanDerWaalsContact C-N 3.31Å; Y915-L917 PolarHBondContact O-N 2.76Å; L917-L919 PolarHBondContact O-N 3.33Å; L917-S921 WeakPolarHBondContact O-CB 3.49Å; L917-S921 PolarHBondContact O-N 3.29Å; L917-L938 HydrophobicContact CD1-CB 4.3Å; L917-L938 HydrophobicContact CD2-CB 4.06Å; L917-L938 HydrophobicContact CD2-CD1 4.29Å; L917-L939 HydrophobicContact CB-CD1 4.11Å; L917-L942 HydrophobicContact CD1-CD1 3.51Å
918A92.8Very high90.1Very high0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-61-47179.100000111.3S914 Y915 Y922 L939 A984S914-A918 VanDerWaalsContact O-CB 3.32Å; S914-A918 WeakPolarHBondContact O-CB 3.17Å; S914-A918 PolarHBondContact O-N 3Å; Y915-A918 PolarHBondContact O-N 2.8Å; A918-Y922 PolarHBondContact O-N 3.39Å; A918-Y922 VanDerWaalsContact O-N 3.11Å; A918-L939 HydrophobicContact CB-CD1 3.98Å; A918-L939 HydrophobicContact CB-CD2 4.49Å; A918-A984 HydrophobicContact CB-CB 4.05Å; A918-A984 WeakPolarHBondContact CB-O 3.35Å
919L90.9Very high90.5Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-66.6-48.4178.4-176.459.1000111.9S874 P880 A883 F884 L887 Y915 A916 L917 S921 Y922 V923 Y987S874-L919 WeakPolarHBondContact OG-CD2 3.3Å; P880-L919 VanDerWaalsContact O-CD2 3.24Å; P880-L919 WeakPolarHBondContact O-CD2 3.27Å; A883-L919 HydrophobicContact CB-CD2 3.9Å; A883-L919 HydrophobicContact CB-CG 3.79Å; F884-L919 HydrophobicContact CB-CD2 4.21Å; L887-L919 HydrophobicContact CD1-CD1 3.62Å; Y915-L919 PolarHBondContact O-N 2.89Å; A916-L919 PolarHBondContact O-N 2.88Å; L917-L919 PolarHBondContact O-N 3.33Å; L919-S921 PolarHBondContact O-N 3.28Å; L919-Y922 PolarHBondContact O-N 2.92Å; L919-V923 VanDerWaalsContact O-CG2 3.23Å; L919-V923 WeakPolarHBondContact O-CG2 3.45Å; L919-V923 PolarHBondContact O-N 3.42Å; L919-Y987 HydrophobicContact CB-CD2 4.47Å; L919-Y987 HydrophobicContact CD1-CD1 3.99Å; L919-Y987 HydrophobicContact CD1-CD2 4.04Å; L919-Y987 HydrophobicContact CD1-CE1 3.62Å; L919-Y987 HydrophobicContact CD1-CE2 3.66Å; L919-Y987 HydrophobicContact CD1-CG 4.2Å; L919-Y987 VanDerWaalsContact CD1-CZ 3.45Å
920V93.2Very high90.9Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-63.9-41.6179.6172.10000111.3V879 A883 L903 L907 I910 A916 Y922 V923 L924V879-V920 HydrophobicContact CG1-CG2 3.79Å; A883-V920 HydrophobicContact CB-CG2 3.95Å; L903-V920 HydrophobicContact CB-CG1 4.47Å; L903-V920 HydrophobicContact CD2-CG2 4.16Å; L907-V920 HydrophobicContact CD2-CG1 3.71Å; I910-V920 HydrophobicContact CD1-CB 3.98Å; I910-V920 HydrophobicContact CD1-CG1 4.28Å; I910-V920 HydrophobicContact CD1-CG2 3.74Å; A916-V920 WeakPolarHBondContact O-CB 3.36Å; A916-V920 VanDerWaalsContact O-CG2 3.24Å; A916-V920 WeakPolarHBondContact O-CG2 3.12Å; A916-V920 PolarHBondContact O-N 3.47Å; V920-Y922 VanDerWaalsContact C-N 3.34Å; V920-Y922 PolarHBondContact O-N 3.38Å; V920-V923 WeakPolarHBondContact O-CB 3.38Å; V920-V923 PolarHBondContact O-N 2.75Å; V920-L924 HydrophobicContact CG1-CD1 3.85Å; V920-L924 HydrophobicContact CG1-CG 4.07Å; V920-L924 VanDerWaalsContact O-CG 3.29Å; V920-L924 WeakPolarHBondContact O-CG 3.34Å; V920-L924 PolarHBondContact O-N 3.22Å
921S95Very high91.3Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-59.1-47175.8-169.50000110.6L917 L919 V923 L924 H925L917-S921 WeakPolarHBondContact O-CB 3.49Å; L917-S921 PolarHBondContact O-N 3.29Å; L919-S921 PolarHBondContact O-N 3.28Å; S921-V923 PolarHBondContact O-N 3.46Å; S921-L924 PolarHBondContact O-N 3.35Å; S921-H925 PolarHBondContact O-N 3.42Å; S921-H925 PolarHBondContact O-ND1 3.22Å
922Y95.5Very high91.9Very high8 Ų836.9 Ų36.93%0.03119%0.188CC..Hα-helixtrans-58.4-45.7175.1178.2-115.8000112.2L887 A918 L919 V920 H925 R926 Y987 L990 T991 L994L887-Y922 HydrophobicContact CD1-CD1 3.88Å; L887-Y922 HydrophobicContact CD1-CE1 4.05Å; L887-Y922 HydrophobicContact CD2-CD1 3.94Å; L887-Y922 HydrophobicContact CD2-CE1 3.69Å; A918-Y922 PolarHBondContact O-N 3.39Å; A918-Y922 VanDerWaalsContact O-N 3.11Å; L919-Y922 PolarHBondContact O-N 2.92Å; V920-Y922 VanDerWaalsContact C-N 3.34Å; V920-Y922 PolarHBondContact O-N 3.38Å; Y922-H925 PolarHBondContact O-N 3.42Å; Y922-R926 HydrophobicContact CD1-CG 4.49Å; Y922-R926 HydrophobicContact CD2-CG 4.21Å; Y922-R926 HydrophobicContact CE1-CG 4.07Å; Y922-R926 HydrophobicContact CE2-CG 3.75Å; Y922-R926 WeakPolarHBondContact O-CG 3.23Å; Y922-R926 PolarHBondContact O-N 3.17Å; Y922-Y987 AromaticContact CD1-CD1 3.63Å; Y922-Y987 HydrophobicContact CD1-CD1 3.63Å; Y922-Y987 AromaticContact CD1-CE1 3.91Å; Y922-Y987 HydrophobicContact CD1-CE1 3.91Å; Y922-Y987 HydrophobicContact CE1-CD1 4.26Å; Y922-Y987 HydrophobicContact CE1-CE1 4.25Å; Y922-Y987 HydrophobicContact CG-CD1 4.02Å; Y922-L990 HydrophobicContact CD2-CB 3.68Å; Y922-L990 HydrophobicContact CE2-CB 3.55Å; Y922-L990 HydrophobicContact CE2-CD1 4.19Å; Y922-L990 HydrophobicContact CE2-CG 4.36Å; Y922-T991 WeakPolarHBondContact CA-OG1 3.45Å; Y922-T991 WeakPolarHBondContact CB-OG1 3.4Å; Y922-T991 PolarHBondContact N-OG1 3.44Å; Y922-L994 HydrophobicContact CD2-CD1 3.77Å; Y922-L994 HydrophobicContact CE2-CD1 3.62Å; Y922-L994 HydrophobicContact CE2-CG 4.43Å
923V94.6Very high92.5Very high0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-57.2-51.3176.3170.50000112.1A883 F886 L887 L903 L919 V920 S921 H925 R926 A927A883-V923 HydrophobicContact CB-CG2 3.94Å; A883-V923 WeakPolarHBondContact O-CG2 3.42Å; F886-V923 HydrophobicContact CD1-CB 4.45Å; F886-V923 HydrophobicContact CD1-CG1 3.25Å; F886-V923 HydrophobicContact CE1-CG1 3.52Å; F886-V923 HydrophobicContact CG-CG1 4.06Å; F886-V923 HydrophobicContact CZ-CG1 4.49Å; L887-V923 HydrophobicContact CD1-CG2 3.74Å; L887-V923 HydrophobicContact CD2-CG2 3.93Å; L887-V923 HydrophobicContact CG-CG2 3.52Å; L903-V923 HydrophobicContact CD1-CG1 3.76Å; L919-V923 VanDerWaalsContact O-CG2 3.23Å; L919-V923 WeakPolarHBondContact O-CG2 3.45Å; L919-V923 PolarHBondContact O-N 3.42Å; V920-V923 WeakPolarHBondContact O-CB 3.38Å; V920-V923 PolarHBondContact O-N 2.75Å; S921-V923 PolarHBondContact O-N 3.46Å; V923-H925 VanDerWaalsContact C-N 3.28Å; V923-H925 PolarHBondContact O-N 3.22Å; V923-R926 PolarHBondContact O-N 3.04Å; V923-A927 WeakPolarHBondContact O-CB 3.11Å; V923-A927 PolarHBondContact O-N 2.96Å
924L96.1Very high92.9Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-64.7-32.5-177.7-66.2-179.9000112L900 E904 L907 V920 S921 N928 S929 K931 R932 A935L900-L924 HydrophobicContact CD1-CD2 3.68Å; E904-L924 HydrophobicContact CG-CD2 3.8Å; L907-L924 HydrophobicContact CD1-CD1 4.06Å; L907-L924 HydrophobicContact CD2-CD1 4.05Å; L907-L924 HydrophobicContact CG-CD1 4.41Å; V920-L924 HydrophobicContact CG1-CD1 3.85Å; V920-L924 HydrophobicContact CG1-CG 4.07Å; V920-L924 VanDerWaalsContact O-CG 3.29Å; V920-L924 WeakPolarHBondContact O-CG 3.34Å; V920-L924 PolarHBondContact O-N 3.22Å; S921-L924 PolarHBondContact O-N 3.35Å; L924-N928 PolarHBondContact O-N 2.79Å; L924-S929 PolarHBondContact O-N 2.65Å; L924-K931 HydrophobicContact CD1-CB 4.34Å; L924-R932 HydrophobicContact CB-CB 4.22Å; L924-A935 HydrophobicContact CD1-CB 3.71Å
925H96Very high93.3Very high15 Ų1532.9 Ų32.97%0.06917%0.173CC..Hα-helixtrans-71.1-42.9173.3-73.376.9000111.9S921 Y922 V923 A927 N928 R932 L994 R995S921-H925 PolarHBondContact O-N 3.42Å; S921-H925 PolarHBondContact O-ND1 3.22Å; Y922-H925 PolarHBondContact O-N 3.42Å; V923-H925 VanDerWaalsContact C-N 3.28Å; V923-H925 PolarHBondContact O-N 3.22Å; H925-A927 VanDerWaalsContact C-N 3.31Å; H925-A927 PolarHBondContact O-N 3.14Å; H925-N928 PolarHBondContact O-N 3.33Å; H925-N928 VanDerWaalsContact O-N 3.16Å; H925-R932 PolarHBondContact CE1-O 3.36Å; H925-L994 HydrophobicContact CB-CB 4.45Å; H925-L994 HydrophobicContact CB-CD1 3.81Å; H925-R995 PolarHBondContact NE2-NH1 3.41Å
926R93.7Very high93.7Very high99 Ų9932.8 Ų32.837%0.37417%0.173SC..Hα-helixtrans-61.2-39.3175.8-72.6-66.1-62.9144.60.6112.4L887 F890 Y922 V923 N928 L994L887-R926 HydrophobicContact CD2-CG 4.48Å; F890-R926 HydrophobicContact CE1-CB 4.26Å; F890-R926 VanDerWaalsContact CZ-O 3.27Å; F890-R926 WeakPolarHBondContact CZ-O 3.42Å; Y922-R926 HydrophobicContact CD1-CG 4.49Å; Y922-R926 HydrophobicContact CD2-CG 4.21Å; Y922-R926 HydrophobicContact CE1-CG 4.07Å; Y922-R926 HydrophobicContact CE2-CG 3.75Å; Y922-R926 WeakPolarHBondContact O-CG 3.23Å; Y922-R926 PolarHBondContact O-N 3.17Å; V923-R926 PolarHBondContact O-N 3.04Å; R926-N928 VanDerWaalsContact C-N 3.29Å; R926-N928 PolarHBondContact O-N 3.24Å; R926-L994 HydrophobicContact CG-CD1 3.79Å
927A93.4Very high94Very high21 Ų2137.2 Ų37.217%0.17420%0.197CC..THydrogen-bonded Turntrans-81.9-1.917800000114.1F886 F890 L900 V923 H925 S929F886-A927 HydrophobicContact CE1-CB 4.09Å; F886-A927 HydrophobicContact CZ-CB 3.88Å; F890-A927 HydrophobicContact CE2-CB 4.44Å; L900-A927 HydrophobicContact CD1-CB 3.8Å; L900-A927 HydrophobicContact CD2-CB 4.17Å; V923-A927 WeakPolarHBondContact O-CB 3.11Å; V923-A927 PolarHBondContact O-N 2.96Å; H925-A927 VanDerWaalsContact C-N 3.31Å; H925-A927 PolarHBondContact O-N 3.14Å; A927-S929 VanDerWaalsContact C-N 3.26Å; A927-S929 PolarHBondContact O-N 2.63Å
928N92.9Very high94.1Very high108 Ų10839.8 Ų39.858%0.57821%0.21SC*.THydrogen-bonded Turntrans53.140-174.7-165.835.6000113.7L924 H925 R926 R932L924-N928 PolarHBondContact O-N 2.79Å; H925-N928 PolarHBondContact O-N 3.33Å; H925-N928 VanDerWaalsContact O-N 3.16Å; R926-N928 VanDerWaalsContact C-N 3.29Å; R926-N928 PolarHBondContact O-N 3.24Å; N928-R932 PolarHBondContact OD1-NH1 2.78Å
929S94.4Very high94.1Very high6 Ų639.8 Ų39.84%0.04221%0.21CC..  trans-64.9148.9-179.5161.50000112.5E904 L924 A927 K931 R932E904-S929 VanDerWaalsContact OE1-CB 3.3Å; E904-S929 WeakPolarHBondContact OE1-CB 3.48Å; E904-S929 PolarHBondContact OE1-OG 3.36Å; L924-S929 PolarHBondContact O-N 2.65Å; A927-S929 VanDerWaalsContact C-N 3.26Å; A927-S929 PolarHBondContact O-N 2.63Å; S929-K931 PolarHBondContact O-N 3.2Å; S929-K931 PolarHBondContact OG-N 3.4Å; S929-R932 WeakPolarHBondContact O-CB 3.37Å; S929-R932 WeakPolarHBondContact O-CD 2.94Å; S929-R932 VanDerWaalsContact O-CG 3.24Å; S929-R932 WeakPolarHBondContact O-CG 3.23Å; S929-R932 PolarHBondContact O-N 2.92Å
930S93.4Very high94.1Very high107 Ų10742.1 Ų42.175%0.74822%0.223SC*.THydrogen-bonded Turntrans-60.8-25.9172.1700000113.2
931K94.2Very high93.9Very high103 Ų10348.5 Ų48.545%0.44826%0.257SS..THydrogen-bonded Turntrans-90.7-0.5-179.6-64.7-69.5-173.1169.90113.9E904 L907 L924 S929 N933 A934 A935E904-K931 HydrophobicContact CB-CG 4.21Å; E904-K931 HydrophobicContact CG-CB 4.22Å; E904-K931 HydrophobicContact CG-CG 4.09Å; L907-K931 HydrophobicContact CD1-CB 3.88Å; L907-K931 HydrophobicContact CD1-CG 4.48Å; L924-K931 HydrophobicContact CD1-CB 4.34Å; S929-K931 PolarHBondContact O-N 3.2Å; S929-K931 PolarHBondContact OG-N 3.4Å; K931-N933 VanDerWaalsContact C-N 3.3Å; K931-N933 PolarHBondContact O-N 3.4Å; K931-A934 WeakPolarHBondContact O-CB 3.29Å; K931-A934 PolarHBondContact O-N 3.13Å; K931-A935 PolarHBondContact O-N 3.03Å
932R94.4Very high93.7Very high90 Ų9051 Ų5134%0.3427%0.27SS..Hα-helixtrans-53.9-41.8-17673.6-173.6177.5166.3-3.2113.6L924 H925 N928 S929 A935 F936L924-R932 HydrophobicContact CB-CB 4.22Å; H925-R932 PolarHBondContact CE1-O 3.36Å; N928-R932 PolarHBondContact OD1-NH1 2.78Å; S929-R932 WeakPolarHBondContact O-CB 3.37Å; S929-R932 WeakPolarHBondContact O-CD 2.94Å; S929-R932 VanDerWaalsContact O-CG 3.24Å; S929-R932 WeakPolarHBondContact O-CG 3.23Å; S929-R932 PolarHBondContact O-N 2.92Å; R932-A935 PolarHBondContact O-N 2.93Å; R932-F936 PolarHBondContact O-N 3.08Å
933N95.3Very high93.4Very high76 Ų7651.7 Ų51.741%0.40628%0.277SS..Hα-helixtrans-70.9-36-180-70.8-33.9000112.3K931 F936 N937 R995K931-N933 VanDerWaalsContact C-N 3.3Å; K931-N933 PolarHBondContact O-N 3.4Å; N933-F936 PolarHBondContact O-N 2.92Å; N933-N937 PolarHBondContact O-N 3.47Å; N933-N937 PolarHBondContact O-ND2 2.59Å; N933-N937 PolarHBondContact O-OD1 3.48Å; N933-R995 PolarHBondContact OD1-NH1 2.91Å
934A94Very high92.9Very high47 Ų4753.1 Ų53.139%0.38829%0.286SS..Hα-helixtrans-65.3-44.9176.200000110.8K931 F936 N937 L938K931-A934 WeakPolarHBondContact O-CB 3.29Å; K931-A934 PolarHBondContact O-N 3.13Å; A934-F936 PolarHBondContact O-N 2.82Å; A934-N937 PolarHBondContact O-N 3.14Å; A934-L938 WeakPolarHBondContact O-CG 2.87Å; A934-L938 PolarHBondContact O-N 2.85Å; A934-L938 VanDerWaalsContact O-N 3.1Å
935A94.2Very high92.1Very high0 Ų059.5 Ų59.50%032%0.316CS..Hα-helixtrans-62-40.9175.200000112.5L907 L924 K931 R932 L938 L939L907-A935 HydrophobicContact CD1-CB 4.21Å; L907-A935 HydrophobicContact CD2-CB 3.69Å; L924-A935 HydrophobicContact CD1-CB 3.71Å; K931-A935 PolarHBondContact O-N 3.03Å; R932-A935 PolarHBondContact O-N 2.93Å; A935-L938 PolarHBondContact O-N 3.18Å; A935-L939 WeakPolarHBondContact O-CB 3.07Å; A935-L939 PolarHBondContact O-N 3.47Å
936F94.9Very high90.7Very high9 Ų964.6 Ų64.64%0.03934%0.338CS..Hα-helixtrans-60.5-46.8175.1-173.1-100.6000112.2R932 N933 A934 L938 L939 D940 T991 Y992 R995R932-F936 PolarHBondContact O-N 3.08Å; N933-F936 PolarHBondContact O-N 2.92Å; A934-F936 PolarHBondContact O-N 2.82Å; F936-L938 PolarHBondContact O-N 3.1Å; F936-L939 WeakPolarHBondContact O-CB 3.4Å; F936-L939 PolarHBondContact O-N 3.39Å; F936-D940 HydrophobicContact CE1-CB 4.33Å; F936-D940 WeakPolarHBondContact O-CB 3.48Å; F936-D940 PolarHBondContact O-N 3.11Å; F936-T991 HydrophobicContact CD2-CG2 3.86Å; F936-T991 HydrophobicContact CE2-CG2 4.28Å; F936-Y992 AromaticContact CE2-CD2 3.81Å; F936-Y992 HydrophobicContact CE2-CD2 3.81Å; F936-Y992 AromaticContact CE2-CE2 3.67Å; F936-Y992 HydrophobicContact CE2-CE2 3.67Å; F936-Y992 HydrophobicContact CZ-CD2 4.14Å; F936-Y992 HydrophobicContact CZ-CE1 4.41Å; F936-Y992 AromaticContact CZ-CE2 3.69Å; F936-Y992 HydrophobicContact CZ-CE2 3.69Å; F936-Y992 AromaticContact CZ-CZ 3.85Å; F936-R995 VanDerWaalsContact CE2-CD 3.49Å
937N93.9Very high88.8Confident92 Ų9262.1 Ų62.149%0.49234%0.343SS..Hα-helixtrans-64.4-40.6-178.8-67.8-12.8000111.8N933 A934 L939 D940 N941N933-N937 PolarHBondContact O-N 3.47Å; N933-N937 PolarHBondContact O-ND2 2.59Å; N933-N937 PolarHBondContact O-OD1 3.48Å; A934-N937 PolarHBondContact O-N 3.14Å; N937-L939 VanDerWaalsContact C-N 3.33Å; N937-D940 PolarHBondContact O-N 3.19Å; N937-N941 WeakPolarHBondContact O-CB 3.45Å; N937-N941 PolarHBondContact O-N 3.23Å; N937-N941 VanDerWaalsContact O-N 3.13Å; N937-N941 PolarHBondContact O-ND2 2.8Å
938L92.7Very high86.7Confident54 Ų5464.2 Ų64.228%0.28335%0.35SS..Hα-helixtrans-60.1-44.4173-71.2174.4000111.5L917 A934 A935 F936L917-L938 HydrophobicContact CD1-CB 4.3Å; L917-L938 HydrophobicContact CD2-CB 4.06Å; L917-L938 HydrophobicContact CD2-CD1 4.29Å; A934-L938 WeakPolarHBondContact O-CG 2.87Å; A934-L938 PolarHBondContact O-N 2.85Å; A934-L938 VanDerWaalsContact O-N 3.1Å; A935-L938 PolarHBondContact O-N 3.18Å; F936-L938 PolarHBondContact O-N 3.1Å
939L92.8Very high84.3Confident0 Ų065 Ų650%036%0.361CS..Hα-helixtrans-64.5-47.1178.3178.562.9000112.1L917 A918 A935 F936 N937 N941 L942 W959 T988L917-L939 HydrophobicContact CB-CD1 4.11Å; A918-L939 HydrophobicContact CB-CD1 3.98Å; A918-L939 HydrophobicContact CB-CD2 4.49Å; A935-L939 WeakPolarHBondContact O-CB 3.07Å; A935-L939 PolarHBondContact O-N 3.47Å; F936-L939 WeakPolarHBondContact O-CB 3.4Å; F936-L939 PolarHBondContact O-N 3.39Å; N937-L939 VanDerWaalsContact C-N 3.33Å; L939-N941 VanDerWaalsContact C-N 3.3Å; L939-N941 PolarHBondContact O-N 2.98Å; L939-L942 PolarHBondContact O-N 2.99Å; L939-L942 VanDerWaalsContact O-N 3.09Å; L939-W959 HydrophobicContact CD1-CG 4.29Å; L939-W959 PolarHBondContact O-NE1 3.34Å; L939-T988 HydrophobicContact CD2-CG2 3.74Å; L939-T988 HydrophobicContact CG-CG2 4.23Å
940D91.1Very high82Confident49 Ų4972.4 Ų72.426%0.26240%0.398SS..Hα-helixtrans-66.7-32.8-176.1-159.247.9000112.1F936 N937 L942 A943 K957 Y992F936-D940 HydrophobicContact CE1-CB 4.33Å; F936-D940 WeakPolarHBondContact O-CB 3.48Å; F936-D940 PolarHBondContact O-N 3.11Å; N937-D940 PolarHBondContact O-N 3.19Å; D940-L942 PolarHBondContact O-N 3.02Å; D940-A943 WeakPolarHBondContact O-CB 3.4Å; D940-A943 PolarHBondContact O-N 3.33Å; D940-K957 VanDerWaalsContact OD1-CE 3.3Å; D940-K957 WeakPolarHBondContact OD1-CE 3.49Å; D940-K957 IonicContact OD1-NZ 2.72Å; D940-K957 PolarHBondContact OD1-NZ 3.32Å; D940-K957 IonicContact OD2-NZ 2.67Å; D940-Y992 PolarHBondContact OD1-OH 3.4Å
941N89.9Confident79.8Confident134 Ų13470.2 Ų70.272%0.71738%0.378SS*.Hα-helixtrans-64.6-20.8173.5-71.8-19.1000113.8N937 L939N937-N941 WeakPolarHBondContact O-CB 3.45Å; N937-N941 PolarHBondContact O-N 3.23Å; N937-N941 VanDerWaalsContact O-N 3.13Å; N937-N941 PolarHBondContact O-ND2 2.8Å; L939-N941 VanDerWaalsContact C-N 3.3Å; L939-N941 PolarHBondContact O-N 2.98Å
942L89.5Confident77.7Confident52 Ų5267.1 Ų67.127%0.27236%0.364SS..THydrogen-bonded Turntrans-90.92.5175.5-64.3-178.8000113.2L917 L939 D940 T944L917-L942 HydrophobicContact CD1-CD1 3.51Å; L939-L942 PolarHBondContact O-N 2.99Å; L939-L942 VanDerWaalsContact O-N 3.09Å; D940-L942 PolarHBondContact O-N 3.02Å; L942-T944 PolarHBondContact O-N 2.83Å
943A89.3Confident75.4Confident23 Ų2368.5 Ų68.519%0.1939%0.387CS..  trans-63.8131.3-178.300000111.2D940 K957 W959D940-A943 WeakPolarHBondContact O-CB 3.4Å; D940-A943 PolarHBondContact O-N 3.33Å; A943-K957 HydrophobicContact CB-CD 4.38Å; A943-K957 HydrophobicContact CB-CG 4.11Å; A943-W959 HydrophobicContact CB-CH2 4.39Å; A943-W959 HydrophobicContact CB-CZ2 3.63Å
944T85.3Confident73.6Confident30 Ų3068.4 Ų68.418%0.18439%0.387CS..EExtended strand (participates in β ladder)trans-91.2108.7169.7-58.20000109L942 K946 Y958L942-T944 PolarHBondContact O-N 2.83Å; T944-K946 HydrophobicContact CG2-CD 4.28Å; T944-K946 HydrophobicContact CG2-CG 3.92Å; T944-Y958 WeakPolarHBondContact CB-O 3.45Å; T944-Y958 HydrophobicContact CG2-CE1 3.79Å; T944-Y958 HydrophobicContact CG2-CE2 4.02Å; T944-Y958 VanDerWaalsContact CG2-CZ 3.48Å; T944-Y958 WeakPolarHBondContact CG2-OH 3.47Å; T944-Y958 PolarHBondContact N-O 3.01Å; T944-Y958 WeakPolarHBondContact O-CD1 3.4Å; T944-Y958 PolarHBondContact O-N 3.06Å
945E78.9Confident72.6Confident135 Ų13567.8 Ų67.863%0.63139%0.386SS*.EExtended strand (participates in β ladder)trans-102.380.6175.9-64.5-173.6-18000109.5F956 K957E945-F956 WeakPolarHBondContact CA-O 3.44Å; E945-K957 HydrophobicContact CG-CB 4.46Å; E945-K957 HydrophobicContact CG-CD 4.3Å; E945-K957 HydrophobicContact CG-CG 4.06Å; E945-K957 WeakPolarHBondContact OE1-CD 3.45Å; E945-K957 VanDerWaalsContact OE1-CE 3.28Å; E945-K957 WeakPolarHBondContact OE1-CE 3.17Å; E945-K957 IonicContact OE1-NZ 3.64Å; E945-K957 PolarHBondContact OE1-NZ 2.63Å; E945-K957 VanDerWaalsContact OE1-NZ 3.13Å
946K66Low72.1Confident122 Ų12268.5 Ų68.553%0.5339%0.389SS..EExtended strand (participates in β ladder)trans-97.8120.8171.3-74.4-174.4-176.9-178.80109.3T944 F956 Y958T944-K946 HydrophobicContact CG2-CD 4.28Å; T944-K946 HydrophobicContact CG2-CG 3.92Å; K946-F956 PolarHBondContact O-N 2.92Å; K946-Y958 HydrophobicContact CB-CE1 4.45Å
947G53.8Low71.8Confident46 Ų4669.1 Ų69.147%0.47439%0.391SS..  trans-72.7139.2157.400000109.4P949G947-P949 VanDerWaalsContact O-CD 3.27Å; G947-P949 WeakPolarHBondContact O-CD 3.42Å
948M50.2Low71.7Confident66 Ų6666.4 Ų66.433%0.32537%0.374SS..  trans-9295.3155.1-96.2-151-72.400106.5I950 I951 F952 F956 Y1010M948-I950 PolarHBondContact O-N 2.73Å; M948-I951 HydrophobicContact CE-CD1 3.73Å; M948-I951 PolarHBondContact O-N 3.45Å; M948-I951 VanDerWaalsContact O-N 3.1Å; M948-I951 HydrophobicContact SD-CD1 3.79Å; M948-F952 PolarHBondContact O-N 2.71Å; M948-F956 HydrophobicContact CB-CE2 4.49Å; M948-F956 HydrophobicContact CE-CE2 3.88Å; M948-F956 HydrophobicContact CE-CZ 4.49Å; M948-Y1010 HydrophobicContact CE-CE1 4.17Å; M948-Y1010 HydrophobicContact CE-CE2 4.45Å
949P42.9Very low71.5Confident123 Ų12363.9 Ų63.980%0.79936%0.361SS*.THydrogen-bonded Turntrans-61.8-21.1-171.8-18.131.8000112.6G947G947-P949 VanDerWaalsContact O-CD 3.27Å; G947-P949 WeakPolarHBondContact O-CD 3.42Å
950I45.9Very low71.1Confident163 Ų16365 Ų6584%0.83637%0.368SS*.THydrogen-bonded Turntrans-80.4-20.6-176.2-55.7176000112.1M948M948-I950 PolarHBondContact O-N 2.73Å
951I47.6Very low70Confident61 Ų6166.3 Ų66.331%0.31338%0.378SS..THydrogen-bonded Turntrans-123-36.4-168.4-57.5174.5000113.4M948M948-I951 HydrophobicContact CE-CD1 3.73Å; M948-I951 PolarHBondContact O-N 3.45Å; M948-I951 VanDerWaalsContact O-N 3.1Å; M948-I951 HydrophobicContact SD-CD1 3.79Å
952F48.5Very low68.7Low38 Ų3862.6 Ų62.617%0.16736%0.358CS..  trans-138.2132.2179.6-60.2-72.1000110.1L723 M948 D954 F956 Y1010L723-F952 HydrophobicContact CD1-CE1 3.88Å; M948-F952 PolarHBondContact O-N 2.71Å; F952-D954 PolarHBondContact O-N 2.86Å; F952-F956 HydrophobicContact CD2-CE1 4.38Å; F952-F956 HydrophobicContact CD2-CE2 4.49Å; F952-F956 AromaticContact CD2-CZ 3.8Å; F952-F956 HydrophobicContact CD2-CZ 3.8Å; F952-F956 AromaticContact CE2-CZ 3.92Å; F952-F956 HydrophobicContact CE2-CZ 3.92Å; F952-Y1010 HydrophobicContact CE2-CD2 4.45Å
953S47.8Very low66.9Low118 Ų11866 Ų6683%0.82538%0.381SS*.SBendtrans-64.6-23.3171.654.40000112.6
954D57.4Low64.7Low74 Ų7469.1 Ų69.140%0.39640%0.402SS..SBendtrans-109.2123.8-173.1-51.3-4.3000108.4F952 R1006F952-D954 PolarHBondContact O-N 2.86Å; D954-R1006 PolarHBondContact O-NH1 3.35Å; D954-R1006 VanDerWaalsContact O-NH1 3.09Å; D954-R1006 IonicContact OD2-NH2 2.72Å
955G71.5Confident62.7Low35 Ų3575 Ų7536%0.36143%0.427SS..  trans-67.4168.4-168.400000116.4R1006G955-R1006 PolarHBondContact O-NH1 3.03Å
956F85Confident60.7Low15 Ų1577.5 Ų77.57%0.06644%0.439CS..EExtended strand (participates in β ladder)trans-95.5150.4167.8-64.7-54.6000110.6E945 K946 M948 F952 Y958 R1006 W1007 Y1010E945-F956 WeakPolarHBondContact CA-O 3.44Å; K946-F956 PolarHBondContact O-N 2.92Å; M948-F956 HydrophobicContact CB-CE2 4.49Å; M948-F956 HydrophobicContact CE-CE2 3.88Å; M948-F956 HydrophobicContact CE-CZ 4.49Å; F952-F956 HydrophobicContact CD2-CE1 4.38Å; F952-F956 HydrophobicContact CD2-CE2 4.49Å; F952-F956 AromaticContact CD2-CZ 3.8Å; F952-F956 HydrophobicContact CD2-CZ 3.8Å; F952-F956 AromaticContact CE2-CZ 3.92Å; F952-F956 HydrophobicContact CE2-CZ 3.92Å; F956-Y958 HydrophobicContact CB-CD1 4.3Å; F956-R1006 HydrophobicContact CD1-CB 4.25Å; F956-R1006 HydrophobicContact CD1-CG 4.16Å; F956-R1006 HydrophobicContact CE1-CB 4.28Å; F956-R1006 HydrophobicContact CE1-CG 3.76Å; F956-W1007 HydrophobicContact CB-CB 4.22Å; F956-W1007 HydrophobicContact CB-CG 4.49Å; F956-W1007 HydrophobicContact CD1-CB 3.99Å; F956-W1007 HydrophobicContact CG-CB 4.33Å; F956-Y1010 HydrophobicContact CE1-CG 4.5Å; F956-Y1010 HydrophobicContact CZ-CD1 4.33Å; F956-Y1010 HydrophobicContact CZ-CD2 4.28Å; F956-Y1010 HydrophobicContact CZ-CG 4.03Å
957K89Confident59.6Low21 Ų2175.3 Ų75.39%0.09144%0.435CS..EExtended strand (participates in β ladder)trans-128.3120.7170.2-171.4168.3-174.6163.70109.4D940 A943 E945 W959 Y992 P1003 I1004D940-K957 VanDerWaalsContact OD1-CE 3.3Å; D940-K957 WeakPolarHBondContact OD1-CE 3.49Å; D940-K957 IonicContact OD1-NZ 2.72Å; D940-K957 PolarHBondContact OD1-NZ 3.32Å; D940-K957 IonicContact OD2-NZ 2.67Å; A943-K957 HydrophobicContact CB-CD 4.38Å; A943-K957 HydrophobicContact CB-CG 4.11Å; E945-K957 HydrophobicContact CG-CB 4.46Å; E945-K957 HydrophobicContact CG-CD 4.3Å; E945-K957 HydrophobicContact CG-CG 4.06Å; E945-K957 WeakPolarHBondContact OE1-CD 3.45Å; E945-K957 VanDerWaalsContact OE1-CE 3.28Å; E945-K957 WeakPolarHBondContact OE1-CE 3.17Å; E945-K957 IonicContact OE1-NZ 3.64Å; E945-K957 PolarHBondContact OE1-NZ 2.63Å; E945-K957 VanDerWaalsContact OE1-NZ 3.13Å; K957-W959 HydrophobicContact CD-CH2 4.11Å; K957-W959 HydrophobicContact CG-CH2 3.83Å; K957-W959 HydrophobicContact CG-CZ2 4.47Å; K957-W959 HydrophobicContact CG-CZ3 4.21Å; K957-Y992 WeakPolarHBondContact CE-OH 3.39Å; K957-Y992 PolarHBondContact NZ-OH 2.59Å; K957-P1003 HydrophobicContact CB-CB 3.85Å; K957-P1003 PolarHBondContact N-O 3.24Å; K957-I1004 HydrophobicContact CB-CG1 4.13Å; K957-I1004 HydrophobicContact CG-CG1 4.35Å; K957-I1004 WeakPolarHBondContact O-CA 3.36Å
958Y90Very high58.9Low36 Ų3676.6 Ų76.614%0.14144%0.437CS..EExtended strand (participates in β ladder)trans-152.7166.2-176.166.4-83.7000112.4T944 K946 F956 T960 W1007T944-Y958 WeakPolarHBondContact CB-O 3.45Å; T944-Y958 HydrophobicContact CG2-CE1 3.79Å; T944-Y958 HydrophobicContact CG2-CE2 4.02Å; T944-Y958 VanDerWaalsContact CG2-CZ 3.48Å; T944-Y958 WeakPolarHBondContact CG2-OH 3.47Å; T944-Y958 PolarHBondContact N-O 3.01Å; T944-Y958 WeakPolarHBondContact O-CD1 3.4Å; T944-Y958 PolarHBondContact O-N 3.06Å; K946-Y958 HydrophobicContact CB-CE1 4.45Å; F956-Y958 HydrophobicContact CB-CD1 4.3Å; Y958-T960 HydrophobicContact CD2-CG2 4.4Å; Y958-T960 HydrophobicContact CE2-CG2 3.89Å; Y958-W1007 AromaticContact CD1-CD1 3.41Å; Y958-W1007 VanDerWaalsContact CD1-CD1 3.41Å; Y958-W1007 HydrophobicContact CD1-CG 4.14Å; Y958-W1007 AromaticContact CD1-NE1 3.35Å; Y958-W1007 AromaticContact CD2-CE2 3.86Å; Y958-W1007 AromaticContact CD2-CZ2 3.91Å; Y958-W1007 HydrophobicContact CD2-CZ2 3.91Å; Y958-W1007 AromaticContact CD2-NE1 3.71Å; Y958-W1007 AromaticContact CE1-NE1 3.86Å; Y958-W1007 AromaticContact CG-CD1 3.66Å; Y958-W1007 HydrophobicContact CG-CD2 4.06Å; Y958-W1007 AromaticContact CG-CE2 3.57Å; Y958-W1007 HydrophobicContact CG-CG 4.1Å; Y958-W1007 HydrophobicContact CG-CZ2 4.08Å; Y958-W1007 AromaticContact CG-NE1 3.27Å; Y958-W1007 VanDerWaalsContact CG-NE1 3.27Å
959W90.2Very high58.5Low0 Ų078.1 Ų78.10%045%0.452CS..  trans-119.8126.1-177.9-72.1-98000110.4L939 A943 K957 A984 T985 T988 Y992 I1004L939-W959 HydrophobicContact CD1-CG 4.29Å; L939-W959 PolarHBondContact O-NE1 3.34Å; A943-W959 HydrophobicContact CB-CH2 4.39Å; A943-W959 HydrophobicContact CB-CZ2 3.63Å; K957-W959 HydrophobicContact CD-CH2 4.11Å; K957-W959 HydrophobicContact CG-CH2 3.83Å; K957-W959 HydrophobicContact CG-CZ2 4.47Å; K957-W959 HydrophobicContact CG-CZ3 4.21Å; W959-A984 HydrophobicContact CB-CB 4.46Å; W959-T985 HydrophobicContact CE3-CG2 4.12Å; W959-T985 HydrophobicContact CZ3-CG2 4.42Å; W959-T985 PolarHBondContact N-OG1 3.41Å; W959-T985 VanDerWaalsContact N-OG1 3.11Å; W959-T988 HydrophobicContact CD2-CG2 4.04Å; W959-T988 HydrophobicContact CE3-CG2 3.85Å; W959-T988 HydrophobicContact CH2-CG2 3.25Å; W959-T988 HydrophobicContact CZ2-CG2 3.44Å; W959-T988 VanDerWaalsContact CZ2-CG2 3.44Å; W959-T988 HydrophobicContact CZ3-CG2 3.47Å; W959-T988 VanDerWaalsContact CZ3-CG2 3.47Å; W959-Y992 HydrophobicContact CH2-CE2 4.11Å; W959-Y992 HydrophobicContact CZ2-CE2 4.46Å; W959-I1004 HydrophobicContact CH2-CD1 3.77Å; W959-I1004 HydrophobicContact CH2-CG1 4.2Å; W959-I1004 HydrophobicContact CZ3-CD1 3.82Å; W959-I1004 HydrophobicContact CZ3-CG1 3.96Å; W959-I1004 HydrophobicContact CZ3-CG2 4.18Å
960T83.8Confident58.3Low24 Ų2478.8 Ų78.815%0.14745%0.449CS..  trans-138.6157.7177.8-175.20000110.5S914 Y958 N962 R978 D981S914-T960 VanDerWaalsContact OG-C 3.26Å; S914-T960 PolarHBondContact OG-O 3.23Å; Y958-T960 HydrophobicContact CD2-CG2 4.4Å; Y958-T960 HydrophobicContact CE2-CG2 3.89Å; T960-N962 PolarHBondContact OG1-N 2.65Å; T960-R978 PolarHBondContact OG1-NH2 3.46Å; T960-D981 WeakPolarHBondContact CA-OD1 3.48Å; T960-D981 PolarHBondContact OG1-OD1 3.45Å; T960-D981 PolarHBondContact OG1-OD2 3.37Å
961T67.8Low58.4Low76 Ų7673.3 Ų73.347%0.46642%0.42SS..SBendtrans-98.9-7.9172.261.20000113.5S914 R978S914-T961 WeakPolarHBondContact OG-CG2 3.16Å; T961-R978 PolarHBondContact OG1-NH1 3.18Å; T961-R978 PolarHBondContact OG1-NH2 2.94Å
962N62Low58.4Low57 Ų5776 Ų7631%0.30543%0.432SS..  trans-121.9112.5-178.2-157.43.6000110.7T960 S964 E965T960-N962 PolarHBondContact OG1-N 2.65Å; N962-S964 PolarHBondContact OD1-N 2.83Å; N962-E965 PolarHBondContact ND2-OE1 3.07Å
963T52Low58.5Low122 Ų12276.2 Ų76.275%0.74843%0.431SS*.  trans-85.2-10.2177.242.80000113.3
964S42.9Very low58.7Low90 Ų9072.5 Ų72.563%0.62940%0.399SS*.  trans-111.33.1-152.6-36.90000117N962 E966N962-S964 PolarHBondContact OD1-N 2.83Å; S964-E966 PolarHBondContact O-N 3.13Å
965E43.1Very low58.6Low152 Ų15272.3 Ų72.371%0.7140%0.398SS*.  trans-91.995.7-179.3-76.3-179.4-163.700111N962 V967N962-E965 PolarHBondContact ND2-OE1 3.07Å; E965-V967 PolarHBondContact O-N 2.84Å; E965-V967 VanDerWaalsContact O-N 3.08Å
966E38.3Very low58.2Low189 Ų18974.7 Ų74.788%0.88340%0.399SS*.  trans-55.9108.7154.9-73-174.3166.300108.1S964 S968S964-E966 PolarHBondContact O-N 3.13Å; E966-S968 PolarHBondContact O-N 3.45Å; E966-S968 VanDerWaalsContact O-N 3.1Å
967V41.6Very low57.3Low76 Ų7674.9 Ų74.946%0.46140%0.401SS..  trans-55.5117.9173.4178.30000107.8E965 P969E965-V967 PolarHBondContact O-N 2.84Å; E965-V967 VanDerWaalsContact O-N 3.08Å; V967-P969 WeakPolarHBondContact O-CD 3.22Å; V967-P969 VanDerWaalsContact O-N 3.14Å
968S40.1Very low56.5Low72 Ų7277.7 Ų77.750%0.50341%0.411SS..  trans-54.2122.6170-86.50000108.5E966 N970 M971E966-S968 PolarHBondContact O-N 3.45Å; E966-S968 VanDerWaalsContact O-N 3.1Å; S968-N970 PolarHBondContact O-N 2.9Å; S968-M971 PolarHBondContact O-N 3.36Å
969P40.7Very low55.9Low99 Ų9976.8 Ų76.864%0.64341%0.41SS*.G310 helixtrans-51-28.2-177.7-27.332.3000113.3V967 M971V967-P969 WeakPolarHBondContact O-CD 3.22Å; V967-P969 VanDerWaalsContact O-N 3.14Å; P969-M971 VanDerWaalsContact C-N 3.29Å; P969-M971 PolarHBondContact O-N 3.34Å
970N39.7Very low55.3Low136 Ų13678.2 Ų78.273%0.72742%0.421SS*.G310 helixtrans-78.5-0.4-176.4-61.2-11000114.8S968S968-N970 PolarHBondContact O-N 2.9Å
971M48.2Very low55.4Low49 Ų4977.7 Ų77.724%0.24142%0.418CS..G310 helixtrans-126.214.5-176.5-80177-15200115.6S968 P969 W973 Y974 D975 P1104 N1106S968-M971 PolarHBondContact O-N 3.36Å; P969-M971 VanDerWaalsContact C-N 3.29Å; P969-M971 PolarHBondContact O-N 3.34Å; M971-W973 PolarHBondContact O-N 2.9Å; M971-Y974 PolarHBondContact O-N 3.24Å; M971-D975 PolarHBondContact O-N 2.73Å; M971-P1104 HydrophobicContact CE-CB 3.76Å; M971-P1104 HydrophobicContact CE-CG 4.06Å; M971-N1106 WeakPolarHBondContact CE-ND2 3.15Å; M971-N1106 WeakPolarHBondContact CE-OD1 3.43Å; M971-N1106 PolarHBondContact SD-ND2 3.47Å
972Q47.4Very low56.3Low118 Ų11874.1 Ų74.155%0.55140%0.396SS*.G310 helixtrans-51.2-27179.7-68.7179.72.100113.9Y974 D975Q972-Y974 VanDerWaalsContact C-N 3.28Å; Q972-Y974 PolarHBondContact O-N 2.99Å; Q972-D975 PolarHBondContact O-N 3.1Å
973W50.6Low57.5Low42 Ų4271.4 Ų71.416%0.15938%0.381CS..G310 helixtrans-67.4-22.3177.777.9-95.1000115.4V717 Y719 M971 L1103V717-W973 HydrophobicContact CB-CD2 3.92Å; V717-W973 HydrophobicContact CB-CE3 3.58Å; V717-W973 HydrophobicContact CB-CG 4.39Å; V717-W973 HydrophobicContact CB-CZ3 4.01Å; V717-W973 HydrophobicContact CG1-CD2 3.57Å; V717-W973 HydrophobicContact CG1-CE3 3.49Å; V717-W973 VanDerWaalsContact CG1-CE3 3.49Å; V717-W973 HydrophobicContact CG1-CG 4.24Å; V717-W973 HydrophobicContact CG1-CH2 3.89Å; V717-W973 HydrophobicContact CG1-CZ2 4Å; V717-W973 HydrophobicContact CG1-CZ3 3.64Å; Y719-W973 HydrophobicContact CD1-CB 4.16Å; Y719-W973 HydrophobicContact CE1-CB 3.31Å; Y719-W973 HydrophobicContact CE2-CB 3.8Å; Y719-W973 WeakPolarHBondContact OH-CB 3.46Å; M971-W973 PolarHBondContact O-N 2.9Å; W973-L1103 HydrophobicContact CH2-CD1 4.27Å; W973-L1103 HydrophobicContact CH2-CD2 4.24Å; W973-L1103 HydrophobicContact CZ2-CD1 4.08Å; W973-L1103 HydrophobicContact CZ2-CD2 3.39Å; W973-L1103 HydrophobicContact CZ2-CG 4.38Å
974Y52.6Low59.3Low40 Ų4065.7 Ų65.716%0.15735%0.346CS..G310 helixtrans-118.624.8175.3-151.8-89.9000112M971 Q972 K976 P1218 R1221M971-Y974 PolarHBondContact O-N 3.24Å; Q972-Y974 VanDerWaalsContact C-N 3.28Å; Q972-Y974 PolarHBondContact O-N 2.99Å; Y974-K976 HydrophobicContact CE1-CB 4.3Å; Y974-K976 HydrophobicContact CE1-CD 4.05Å; Y974-K976 HydrophobicContact CE1-CG 4.17Å; Y974-K976 HydrophobicContact CE2-CD 4.27Å; Y974-K976 PolarHBondContact O-N 3.3Å; Y974-P1218 HydrophobicContact CE1-CB 3.96Å; Y974-P1218 WeakPolarHBondContact OH-CB 3.47Å; Y974-R1221 VanDerWaalsContact CD2-NH2 3.28Å; Y974-R1221 VanDerWaalsContact CG-NH2 3.33Å; Y974-R1221 PolarHBondContact OH-NH2 2.86Å
975D54.6Low61.7Low69 Ų6961.4 Ų61.437%0.36932%0.316SS..  trans-69.170.6172.3-175.441.9000111.1M971 Q972 R1011M971-D975 PolarHBondContact O-N 2.73Å; Q972-D975 PolarHBondContact O-N 3.1Å; D975-R1011 PolarHBondContact O-NH1 3.16Å; D975-R1011 VanDerWaalsContact O-NH1 3.14Å; D975-R1011 IonicContact OD2-CZ 3.88Å; D975-R1011 IonicContact OD2-NH1 2.9Å; D975-R1011 PolarHBondContact OD2-NH1 3.11Å; D975-R1011 IonicContact OD2-NH2 3.04Å
976K62Low64.2Low86 Ų8654.1 Ų54.137%0.37428%0.282SS..PPolyproline II helixtrans-92.8127168.6-65.8-165.2-176178.10107.3Y974Y974-K976 HydrophobicContact CE1-CB 4.3Å; Y974-K976 HydrophobicContact CE1-CD 4.05Å; Y974-K976 HydrophobicContact CE1-CG 4.17Å; Y974-K976 HydrophobicContact CE2-CD 4.27Å; Y974-K976 PolarHBondContact O-N 3.3Å
977P66.9Low66.8Low18 Ų1845.1 Ų45.112%0.11724%0.24CC..PPolyproline II helixtrans-59.4158.3173.130.5-39.2000109.3V982 W1007 R1011P977-V982 HydrophobicContact CB-CG2 4.12Å; P977-V982 HydrophobicContact CG-CG2 3.38Å; P977-W1007 HydrophobicContact CB-CH2 4.17Å; P977-W1007 HydrophobicContact CB-CZ2 4.09Å; P977-W1007 HydrophobicContact CG-CH2 4.29Å; P977-W1007 HydrophobicContact CG-CZ2 4.43Å; P977-R1011 HydrophobicContact CG-CB 3.91Å; P977-R1011 HydrophobicContact CG-CG 3.74Å
978R71.9Confident69.4Low81 Ų8141.5 Ų41.531%0.30622%0.218SC..PPolyproline II helixtrans-57.1137.1172.3-62.4179.3-58.3164.59108.5T960 T961 A980 D981 V982T960-R978 PolarHBondContact OG1-NH2 3.46Å; T961-R978 PolarHBondContact OG1-NH1 3.18Å; T961-R978 PolarHBondContact OG1-NH2 2.94Å; R978-A980 PolarHBondContact O-N 2.79Å; R978-A980 VanDerWaalsContact O-N 3.11Å; R978-D981 IonicContact CZ-OD1 2.75Å; R978-D981 IonicContact CZ-OD2 3.72Å; R978-D981 IonicContact NE-OD1 3.58Å; R978-D981 IonicContact NE-OD2 3.92Å; R978-D981 PolarHBondContact NE-OD2 3.1Å; R978-D981 VanDerWaalsContact NE-OD2 3.09Å; R978-D981 IonicContact NH2-OD1 3.96Å; R978-D981 PolarHBondContact NH2-OD1 3.32Å; R978-D981 IonicContact NH2-OD2 2.77Å; R978-D981 PolarHBondContact NH2-OD2 3.5Å; R978-D981 WeakPolarHBondContact O-CB 3.49Å; R978-D981 PolarHBondContact O-N 3.38Å; R978-V982 PolarHBondContact O-N 2.76Å
979P77.7Confident72.1Confident17 Ų1738.1 Ų38.111%0.1119%0.194CC..Hα-helixtrans-53.1-36.9179.1-23.127.3000113D981 V982 E983 S1019 S1020 D1023 Y1216P979-D981 VanDerWaalsContact C-N 3.31Å; P979-D981 PolarHBondContact O-N 3.24Å; P979-V982 PolarHBondContact O-N 3.17Å; P979-E983 PolarHBondContact O-N 3.15Å; P979-S1019 WeakPolarHBondContact CG-OG 3.44Å; P979-S1020 WeakPolarHBondContact CB-OG 3.04Å; P979-D1023 HydrophobicContact CB-CB 4.12Å; P979-D1023 WeakPolarHBondContact O-CB 3.17Å; P979-Y1216 WeakPolarHBondContact CG-O 3.5Å
980A78.3Confident74.7Confident29 Ų2933.6 Ų33.624%0.2417%0.165CC..Hα-helixtrans-61.1-33.4176.800000113.8Y915 R978 A984Y915-A980 HydrophobicContact CD2-CB 4.18Å; R978-A980 PolarHBondContact O-N 2.79Å; R978-A980 VanDerWaalsContact O-N 3.11Å; A980-A984 VanDerWaalsContact O-CB 3.27Å; A980-A984 WeakPolarHBondContact O-CB 3.46Å; A980-A984 PolarHBondContact O-N 3.08Å
981D84.3Confident77.4Confident13 Ų1327.1 Ų27.17%0.0713%0.13CC..Hα-helixtrans-72.7-35.7178.2-64.1-19000110.6T960 R978 P979 T985 W1007T960-D981 WeakPolarHBondContact CA-OD1 3.48Å; T960-D981 PolarHBondContact OG1-OD1 3.45Å; T960-D981 PolarHBondContact OG1-OD2 3.37Å; R978-D981 IonicContact CZ-OD1 2.75Å; R978-D981 IonicContact CZ-OD2 3.72Å; R978-D981 IonicContact NE-OD1 3.58Å; R978-D981 IonicContact NE-OD2 3.92Å; R978-D981 PolarHBondContact NE-OD2 3.1Å; R978-D981 VanDerWaalsContact NE-OD2 3.09Å; R978-D981 IonicContact NH2-OD1 3.96Å; R978-D981 PolarHBondContact NH2-OD1 3.32Å; R978-D981 IonicContact NH2-OD2 2.77Å; R978-D981 PolarHBondContact NH2-OD2 3.5Å; R978-D981 WeakPolarHBondContact O-CB 3.49Å; R978-D981 PolarHBondContact O-N 3.38Å; P979-D981 VanDerWaalsContact C-N 3.31Å; P979-D981 PolarHBondContact O-N 3.24Å; D981-T985 VanDerWaalsContact O-CB 3.23Å; D981-T985 WeakPolarHBondContact O-CB 3.22Å; D981-T985 PolarHBondContact O-N 3.47Å; D981-T985 PolarHBondContact O-OG1 2.93Å; D981-W1007 HydrophobicContact CB-CH2 4.31Å
982V87.5Confident79.6Confident1 Ų125 Ų251%0.00612%0.119CC..Hα-helixtrans-66.7-45.8174.2177.10000110.8P977 R978 P979 T985 A986 W1007 L1008 F1018 D1023 A1027P977-V982 HydrophobicContact CB-CG2 4.12Å; P977-V982 HydrophobicContact CG-CG2 3.38Å; R978-V982 PolarHBondContact O-N 2.76Å; P979-V982 PolarHBondContact O-N 3.17Å; V982-T985 PolarHBondContact O-N 2.91Å; V982-A986 VanDerWaalsContact O-CB 3.29Å; V982-A986 WeakPolarHBondContact O-CB 3.44Å; V982-A986 PolarHBondContact O-N 2.83Å; V982-W1007 HydrophobicContact CB-CZ3 4.48Å; V982-W1007 HydrophobicContact CG2-CH2 3.93Å; V982-W1007 HydrophobicContact CG2-CZ3 4.13Å; V982-L1008 HydrophobicContact CG1-CD2 3.99Å; V982-F1018 HydrophobicContact CG1-CD1 3.54Å; V982-F1018 HydrophobicContact CG1-CE1 3.77Å; V982-F1018 HydrophobicContact CG1-CG 4.08Å; V982-F1018 HydrophobicContact CG2-CD1 4.42Å; V982-D1023 HydrophobicContact CB-CB 3.78Å; V982-D1023 HydrophobicContact CG1-CB 3.75Å; V982-A1027 HydrophobicContact CG1-CB 3.88Å
983E87.3Confident81.8Confident1 Ų119.6 Ų19.61%0.0059%0.094CC..Hα-helixtrans-63.1-47.5177.3-178.3173.3-167.200112.2G872 Y915 P979 T985 A986 Y987 V1026G872-E983 WeakPolarHBondContact CA-OE2 3.46Å; Y915-E983 HydrophobicContact CE2-CB 4.15Å; Y915-E983 HydrophobicContact CE2-CG 3.84Å; Y915-E983 WeakPolarHBondContact CE2-OE2 3.31Å; Y915-E983 VanDerWaalsContact OH-CD 3.31Å; Y915-E983 PolarHBondContact OH-OE1 2.77Å; Y915-E983 PolarHBondContact OH-OE2 3.2Å; P979-E983 PolarHBondContact O-N 3.15Å; E983-T985 VanDerWaalsContact C-N 3.35Å; E983-T985 PolarHBondContact O-N 3.47Å; E983-A986 PolarHBondContact O-N 3.22Å; E983-Y987 HydrophobicContact CG-CD2 3.83Å; E983-Y987 HydrophobicContact CG-CE2 3.52Å; E983-Y987 VanDerWaalsContact O-CD2 3.3Å; E983-Y987 WeakPolarHBondContact O-CD2 3.5Å; E983-Y987 PolarHBondContact O-N 2.72Å; E983-Y987 WeakPolarHBondContact OE1-CE2 3.34Å; E983-V1026 HydrophobicContact CG-CB 4.28Å; E983-V1026 HydrophobicContact CG-CG1 4.4Å; E983-V1026 HydrophobicContact CG-CG2 4.13Å
984A89.5Confident83.9Confident1 Ų120.9 Ų20.91%0.00810%0.104CC..Hα-helixtrans-58.3-48.117600000111.1Y915 A918 W959 A980 A986 Y987 T988Y915-A984 HydrophobicContact CD2-CB 4.09Å; A918-A984 HydrophobicContact CB-CB 4.05Å; A918-A984 WeakPolarHBondContact CB-O 3.35Å; W959-A984 HydrophobicContact CB-CB 4.46Å; A980-A984 VanDerWaalsContact O-CB 3.27Å; A980-A984 WeakPolarHBondContact O-CB 3.46Å; A980-A984 PolarHBondContact O-N 3.08Å; A984-A986 VanDerWaalsContact C-N 3.27Å; A984-A986 PolarHBondContact O-N 3.43Å; A984-Y987 PolarHBondContact O-N 3.09Å; A984-T988 PolarHBondContact O-N 3.34Å; A984-T988 PolarHBondContact O-OG1 2.96Å
985T93.7Very high85.9Confident0 Ų022.5 Ų22.50%011%0.11CC..Hα-helixtrans-63.6-34179.4-57.60000112.1W959 D981 V982 E983 T988 L989 I1004 W1007 L1008W959-T985 HydrophobicContact CE3-CG2 4.12Å; W959-T985 HydrophobicContact CZ3-CG2 4.42Å; W959-T985 PolarHBondContact N-OG1 3.41Å; W959-T985 VanDerWaalsContact N-OG1 3.11Å; D981-T985 VanDerWaalsContact O-CB 3.23Å; D981-T985 WeakPolarHBondContact O-CB 3.22Å; D981-T985 PolarHBondContact O-N 3.47Å; D981-T985 PolarHBondContact O-OG1 2.93Å; V982-T985 PolarHBondContact O-N 2.91Å; E983-T985 VanDerWaalsContact C-N 3.35Å; E983-T985 PolarHBondContact O-N 3.47Å; T985-T988 PolarHBondContact O-N 3.13Å; T985-L989 PolarHBondContact O-N 3.01Å; T985-I1004 HydrophobicContact CG2-CG2 3.51Å; T985-W1007 HydrophobicContact CG2-CD2 4.48Å; T985-W1007 HydrophobicContact CG2-CE3 3.62Å; T985-W1007 HydrophobicContact CG2-CZ3 3.82Å; T985-L1008 HydrophobicContact CG2-CD2 4.12Å; T985-L1008 HydrophobicContact CG2-CG 4.1Å
986A94.5Very high87.6Confident0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-69.8-42.217500000113.2V982 E983 A984 T988 L989 L990 L1008 V1026 A1027 A1030V982-A986 VanDerWaalsContact O-CB 3.29Å; V982-A986 WeakPolarHBondContact O-CB 3.44Å; V982-A986 PolarHBondContact O-N 2.83Å; E983-A986 PolarHBondContact O-N 3.22Å; A984-A986 VanDerWaalsContact C-N 3.27Å; A984-A986 PolarHBondContact O-N 3.43Å; A986-T988 VanDerWaalsContact C-N 3.28Å; A986-T988 PolarHBondContact O-N 3.23Å; A986-L989 WeakPolarHBondContact O-CB 3.48Å; A986-L989 PolarHBondContact O-N 3.31Å; A986-L990 PolarHBondContact O-N 2.91Å; A986-L1008 HydrophobicContact CB-CD1 4.39Å; A986-L1008 HydrophobicContact CB-CD2 4.35Å; A986-V1026 HydrophobicContact CB-CB 4.35Å; A986-V1026 HydrophobicContact CB-CG1 3.73Å; A986-A1027 HydrophobicContact CB-CB 4.02Å; A986-A1030 HydrophobicContact CB-CB 3.91Å; A986-A1030 WeakPolarHBondContact O-CB 3.32Å
987Y94.9Very high89Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-62.6-36.5171.8-78.9-61.2000112.1R826 L887 L919 Y922 E983 A984 L990 T991 V1026R826-Y987 PolarHBondContact NH1-OH 3.16Å; L887-Y987 HydrophobicContact CD1-CE1 4.36Å; L919-Y987 HydrophobicContact CB-CD2 4.47Å; L919-Y987 HydrophobicContact CD1-CD1 3.99Å; L919-Y987 HydrophobicContact CD1-CD2 4.04Å; L919-Y987 HydrophobicContact CD1-CE1 3.62Å; L919-Y987 HydrophobicContact CD1-CE2 3.66Å; L919-Y987 HydrophobicContact CD1-CG 4.2Å; L919-Y987 VanDerWaalsContact CD1-CZ 3.45Å; Y922-Y987 AromaticContact CD1-CD1 3.63Å; Y922-Y987 HydrophobicContact CD1-CD1 3.63Å; Y922-Y987 AromaticContact CD1-CE1 3.91Å; Y922-Y987 HydrophobicContact CD1-CE1 3.91Å; Y922-Y987 HydrophobicContact CE1-CD1 4.26Å; Y922-Y987 HydrophobicContact CE1-CE1 4.25Å; Y922-Y987 HydrophobicContact CG-CD1 4.02Å; E983-Y987 HydrophobicContact CG-CD2 3.83Å; E983-Y987 HydrophobicContact CG-CE2 3.52Å; E983-Y987 VanDerWaalsContact O-CD2 3.3Å; E983-Y987 WeakPolarHBondContact O-CD2 3.5Å; E983-Y987 PolarHBondContact O-N 2.72Å; E983-Y987 WeakPolarHBondContact OE1-CE2 3.34Å; A984-Y987 PolarHBondContact O-N 3.09Å; Y987-L990 HydrophobicContact CD1-CD1 4.26Å; Y987-L990 PolarHBondContact O-N 3.07Å; Y987-T991 PolarHBondContact O-N 3.23Å; Y987-T991 PolarHBondContact O-OG1 3.36Å; Y987-V1026 HydrophobicContact CD1-CG1 4.02Å; Y987-V1026 HydrophobicContact CD2-CG1 3.92Å; Y987-V1026 HydrophobicContact CE1-CG1 3.86Å; Y987-V1026 HydrophobicContact CE2-CG1 3.75Å; Y987-V1026 HydrophobicContact CE2-CG2 4.06Å; Y987-V1026 HydrophobicContact CG-CG1 4.03Å
988T95.2Very high89.9Confident0 Ų024.6 Ų24.60%012%0.124CC..Hα-helixtrans-65.9-42.7174.2-50.50000111.7L939 W959 A984 T985 A986 L990 T991 Y992L939-T988 HydrophobicContact CD2-CG2 3.74Å; L939-T988 HydrophobicContact CG-CG2 4.23Å; W959-T988 HydrophobicContact CD2-CG2 4.04Å; W959-T988 HydrophobicContact CE3-CG2 3.85Å; W959-T988 HydrophobicContact CH2-CG2 3.25Å; W959-T988 HydrophobicContact CZ2-CG2 3.44Å; W959-T988 VanDerWaalsContact CZ2-CG2 3.44Å; W959-T988 HydrophobicContact CZ3-CG2 3.47Å; W959-T988 VanDerWaalsContact CZ3-CG2 3.47Å; A984-T988 PolarHBondContact O-N 3.34Å; A984-T988 PolarHBondContact O-OG1 2.96Å; T985-T988 PolarHBondContact O-N 3.13Å; A986-T988 VanDerWaalsContact C-N 3.28Å; A986-T988 PolarHBondContact O-N 3.23Å; T988-L990 VanDerWaalsContact C-N 3.33Å; T988-L990 PolarHBondContact O-N 2.7Å; T988-T991 WeakPolarHBondContact O-CA 3.47Å; T988-T991 WeakPolarHBondContact O-CB 3.37Å; T988-T991 PolarHBondContact O-N 2.76Å; T988-Y992 HydrophobicContact CG2-CD2 3.79Å; T988-Y992 HydrophobicContact CG2-CE2 3.74Å; T988-Y992 WeakPolarHBondContact O-CD2 3.45Å; T988-Y992 PolarHBondContact O-N 2.88Å
989L95.9Very high90.3Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-56.2-47.1173174.457.4000111.4T985 A986 T991 Y992 L993 A1001 I1004 V1005 L1008 A1030 Y1034T985-L989 PolarHBondContact O-N 3.01Å; A986-L989 WeakPolarHBondContact O-CB 3.48Å; A986-L989 PolarHBondContact O-N 3.31Å; L989-T991 VanDerWaalsContact C-N 3.25Å; L989-T991 PolarHBondContact O-N 2.98Å; L989-Y992 WeakPolarHBondContact O-CB 3.45Å; L989-Y992 PolarHBondContact O-N 2.65Å; L989-L993 HydrophobicContact CD1-CD1 4.34Å; L989-L993 HydrophobicContact CD1-CG 4.29Å; L989-L993 HydrophobicContact CG-CD1 4.32Å; L989-L993 WeakPolarHBondContact O-CG 3.03Å; L989-L993 PolarHBondContact O-N 3.21Å; L989-A1001 HydrophobicContact CD1-CB 3.71Å; L989-I1004 HydrophobicContact CB-CG2 3.89Å; L989-V1005 HydrophobicContact CD1-CG2 3.77Å; L989-V1005 HydrophobicContact CD2-CG2 3.74Å; L989-V1005 HydrophobicContact CG-CG2 4.45Å; L989-L1008 HydrophobicContact CB-CD1 4.29Å; L989-L1008 HydrophobicContact CD2-CD1 3.61Å; L989-A1030 HydrophobicContact CB-CB 4.17Å; L989-A1030 HydrophobicContact CD2-CB 3.79Å; L989-A1030 HydrophobicContact CG-CB 4.1Å; L989-Y1034 HydrophobicContact CD1-CD2 4.27Å
990L95.4Very high90.8Very high4 Ų432.2 Ų32.22%0.02117%0.169CC..Hα-helixtrans-58.8-38.3175.3-72.6168.8000112.1Y922 A986 Y987 T988 L993 L994 Q1029 A1030 H1033Y922-L990 HydrophobicContact CD2-CB 3.68Å; Y922-L990 HydrophobicContact CE2-CB 3.55Å; Y922-L990 HydrophobicContact CE2-CD1 4.19Å; Y922-L990 HydrophobicContact CE2-CG 4.36Å; A986-L990 PolarHBondContact O-N 2.91Å; Y987-L990 HydrophobicContact CD1-CD1 4.26Å; Y987-L990 PolarHBondContact O-N 3.07Å; T988-L990 VanDerWaalsContact C-N 3.33Å; T988-L990 PolarHBondContact O-N 2.7Å; L990-L993 PolarHBondContact O-N 2.85Å; L990-L994 WeakPolarHBondContact O-CG 3.46Å; L990-L994 PolarHBondContact O-N 3.03Å; L990-Q1029 HydrophobicContact CD1-CG 4.42Å; L990-Q1029 HydrophobicContact CD2-CG 4.42Å; L990-A1030 HydrophobicContact CD1-CB 4.36Å; L990-A1030 HydrophobicContact CD2-CB 4.22Å; L990-A1030 HydrophobicContact CG-CB 3.81Å; L990-H1033 HydrophobicContact CD2-CB 3.91Å
991T96.1Very high91.3Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-66.7-42176.9-54.40000112Y922 F936 Y987 T988 L989 L993 L994 R995Y922-T991 WeakPolarHBondContact CA-OG1 3.45Å; Y922-T991 WeakPolarHBondContact CB-OG1 3.4Å; Y922-T991 PolarHBondContact N-OG1 3.44Å; F936-T991 HydrophobicContact CD2-CG2 3.86Å; F936-T991 HydrophobicContact CE2-CG2 4.28Å; Y987-T991 PolarHBondContact O-N 3.23Å; Y987-T991 PolarHBondContact O-OG1 3.36Å; T988-T991 WeakPolarHBondContact O-CA 3.47Å; T988-T991 WeakPolarHBondContact O-CB 3.37Å; T988-T991 PolarHBondContact O-N 2.76Å; L989-T991 VanDerWaalsContact C-N 3.25Å; L989-T991 PolarHBondContact O-N 2.98Å; T991-L993 VanDerWaalsContact C-N 3.31Å; T991-L993 PolarHBondContact O-N 2.89Å; T991-L994 PolarHBondContact O-N 3.12Å; T991-R995 WeakPolarHBondContact O-CG 3.21Å; T991-R995 PolarHBondContact O-N 3.15Å
992Y95.6Very high91.4Very high4 Ų432.3 Ų32.32%0.01616%0.163CC..Hα-helixtrans-60.2-41.7174.3-93-110.2000111.8F936 D940 K957 W959 T988 L989 R995 D996 Q997 L1000 I1004F936-Y992 AromaticContact CE2-CD2 3.81Å; F936-Y992 HydrophobicContact CE2-CD2 3.81Å; F936-Y992 AromaticContact CE2-CE2 3.67Å; F936-Y992 HydrophobicContact CE2-CE2 3.67Å; F936-Y992 HydrophobicContact CZ-CD2 4.14Å; F936-Y992 HydrophobicContact CZ-CE1 4.41Å; F936-Y992 AromaticContact CZ-CE2 3.69Å; F936-Y992 HydrophobicContact CZ-CE2 3.69Å; F936-Y992 AromaticContact CZ-CZ 3.85Å; D940-Y992 PolarHBondContact OD1-OH 3.4Å; K957-Y992 WeakPolarHBondContact CE-OH 3.39Å; K957-Y992 PolarHBondContact NZ-OH 2.59Å; W959-Y992 HydrophobicContact CH2-CE2 4.11Å; W959-Y992 HydrophobicContact CZ2-CE2 4.46Å; T988-Y992 HydrophobicContact CG2-CD2 3.79Å; T988-Y992 HydrophobicContact CG2-CE2 3.74Å; T988-Y992 WeakPolarHBondContact O-CD2 3.45Å; T988-Y992 PolarHBondContact O-N 2.88Å; L989-Y992 WeakPolarHBondContact O-CB 3.45Å; L989-Y992 PolarHBondContact O-N 2.65Å; Y992-R995 PolarHBondContact O-N 2.92Å; Y992-D996 PolarHBondContact O-N 3.16Å; Y992-Q997 HydrophobicContact CD1-CB 3.98Å; Y992-Q997 PolarHBondContact O-N 3.2Å; Y992-L1000 HydrophobicContact CD1-CB 4.1Å; Y992-L1000 HydrophobicContact CE1-CB 3.79Å; Y992-I1004 HydrophobicContact CD1-CD1 4.16Å; Y992-I1004 HydrophobicContact CD2-CD1 3.81Å; Y992-I1004 HydrophobicContact CE1-CD1 4.23Å; Y992-I1004 HydrophobicContact CE2-CD1 3.91Å; Y992-I1004 HydrophobicContact CG-CD1 3.94Å
993L94.2Very high91.5Very high5 Ų534 Ų343%0.02617%0.174CC..Hα-helixtrans-65.5-40.5176.8-67.7174000112.4L989 L990 T991 R995 D996 T998 H1033 Y1034 H1037L989-L993 HydrophobicContact CD1-CD1 4.34Å; L989-L993 HydrophobicContact CD1-CG 4.29Å; L989-L993 HydrophobicContact CG-CD1 4.32Å; L989-L993 WeakPolarHBondContact O-CG 3.03Å; L989-L993 PolarHBondContact O-N 3.21Å; L990-L993 PolarHBondContact O-N 2.85Å; T991-L993 VanDerWaalsContact C-N 3.31Å; T991-L993 PolarHBondContact O-N 2.89Å; L993-R995 PolarHBondContact O-N 3.13Å; L993-R995 VanDerWaalsContact O-N 3.14Å; L993-D996 PolarHBondContact O-N 3.05Å; L993-T998 HydrophobicContact CD2-CG2 4.47Å; L993-H1033 HydrophobicContact CD1-CB 3.73Å; L993-Y1034 HydrophobicContact CD2-CD2 4.05Å; L993-H1037 HydrophobicContact CD2-CB 4.28Å
994L93.7Very high91.7Very high70 Ų7033.9 Ų33.937%0.36617%0.174SC..Hα-helixtrans-63.7-15.7174.2-72.7176.9000114.1Y922 H925 R926 L990 T991Y922-L994 HydrophobicContact CD2-CD1 3.77Å; Y922-L994 HydrophobicContact CE2-CD1 3.62Å; Y922-L994 HydrophobicContact CE2-CG 4.43Å; H925-L994 HydrophobicContact CB-CB 4.45Å; H925-L994 HydrophobicContact CB-CD1 3.81Å; R926-L994 HydrophobicContact CG-CD1 3.79Å; L990-L994 WeakPolarHBondContact O-CG 3.46Å; L990-L994 PolarHBondContact O-N 3.03Å; T991-L994 PolarHBondContact O-N 3.12Å
995R94.8Very high91.7Very high73 Ų7333.9 Ų33.928%0.27517%0.174SC..THydrogen-bonded Turntrans-1016.5177.3-63.2174.166.774.67112.5H925 N933 F936 T991 Y992 L993 Q997H925-R995 PolarHBondContact NE2-NH1 3.41Å; N933-R995 PolarHBondContact OD1-NH1 2.91Å; F936-R995 VanDerWaalsContact CE2-CD 3.49Å; T991-R995 WeakPolarHBondContact O-CG 3.21Å; T991-R995 PolarHBondContact O-N 3.15Å; Y992-R995 PolarHBondContact O-N 2.92Å; L993-R995 PolarHBondContact O-N 3.13Å; L993-R995 VanDerWaalsContact O-N 3.14Å; R995-Q997 HydrophobicContact CB-CG 3.99Å; R995-Q997 PolarHBondContact O-N 2.93Å
996D90.7Very high91.3Very high133 Ų13335.2 Ų35.271%0.71118%0.179SC*.THydrogen-bonded Turntrans56.227.1-174.1-57.9-56.4000113.4Y992 L993 T998Y992-D996 PolarHBondContact O-N 3.16Å; L993-D996 PolarHBondContact O-N 3.05Å; D996-T998 VanDerWaalsContact C-N 3.28Å; D996-T998 PolarHBondContact O-N 2.99Å
997Q90.6Very high91.1Very high55 Ų5535.5 Ų35.526%0.25718%0.18SC..  trans-92.446.6-179.9-65.6-173.9-48.900111.9Y992 R995 D999 L1000 A1001Y992-Q997 HydrophobicContact CD1-CB 3.98Å; Y992-Q997 PolarHBondContact O-N 3.2Å; R995-Q997 HydrophobicContact CB-CG 3.99Å; R995-Q997 PolarHBondContact O-N 2.93Å; Q997-D999 VanDerWaalsContact C-N 3.3Å; Q997-D999 PolarHBondContact O-N 2.88Å; Q997-L1000 HydrophobicContact CB-CD1 4.5Å; Q997-L1000 PolarHBondContact O-N 2.86Å; Q997-A1001 PolarHBondContact O-N 2.88Å
998T85.3Confident90.8Very high29 Ų2935.5 Ų35.518%0.17818%0.18CC..Hα-helixtrans-62-34.9-173.7-50.70000113L993 D996 L1000 A1001 Y1034 H1037 T1038L993-T998 HydrophobicContact CD2-CG2 4.47Å; D996-T998 VanDerWaalsContact C-N 3.28Å; D996-T998 PolarHBondContact O-N 2.99Å; T998-L1000 VanDerWaalsContact C-N 3.34Å; T998-L1000 PolarHBondContact O-N 2.9Å; T998-A1001 WeakPolarHBondContact O-CB 3.42Å; T998-A1001 PolarHBondContact O-N 2.86Å; T998-Y1034 HydrophobicContact CG2-CD2 4.4Å; T998-Y1034 HydrophobicContact CG2-CE2 3.91Å; T998-H1037 HydrophobicContact CG2-CB 4.48Å; T998-T1038 HydrophobicContact CG2-CG2 3.49Å; T998-T1038 VanDerWaalsContact CG2-CG2 3.49Å
999D81.3Confident90.5Very high156 Ų15635.6 Ų35.683%0.83418%0.18SC*.Hα-helixtrans-65.2-38.1179.1-61.7-29.5000112Q997 A1001Q997-D999 VanDerWaalsContact C-N 3.3Å; Q997-D999 PolarHBondContact O-N 2.88Å; D999-A1001 VanDerWaalsContact C-N 3.31Å
1000L87.4Confident89.9Confident102 Ų10238 Ų3853%0.53419%0.19SC..Hα-helixtrans-80.4-13.8177.6-58.9178000112.7Y992 Q997 T998 P1003Y992-L1000 HydrophobicContact CD1-CB 4.1Å; Y992-L1000 HydrophobicContact CE1-CB 3.79Å; Q997-L1000 HydrophobicContact CB-CD1 4.5Å; Q997-L1000 PolarHBondContact O-N 2.86Å; T998-L1000 VanDerWaalsContact C-N 3.34Å; T998-L1000 PolarHBondContact O-N 2.9Å; L1000-P1003 WeakPolarHBondContact O-CD 3.44Å
1001A90.1Very high89.4Confident0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-79.3-19.8-178.400000113.1L989 Q997 T998 D999 I1004 V1005 Y1034L989-A1001 HydrophobicContact CD1-CB 3.71Å; Q997-A1001 PolarHBondContact O-N 2.88Å; T998-A1001 WeakPolarHBondContact O-CB 3.42Å; T998-A1001 PolarHBondContact O-N 2.86Å; D999-A1001 VanDerWaalsContact C-N 3.31Å; A1001-I1004 WeakPolarHBondContact O-CA 3.49Å; A1001-I1004 VanDerWaalsContact O-CB 3.26Å; A1001-I1004 WeakPolarHBondContact O-CB 3.01Å; A1001-I1004 PolarHBondContact O-N 2.91Å; A1001-V1005 PolarHBondContact O-N 2.9Å; A1001-Y1034 HydrophobicContact CB-CD2 4.38Å; A1001-Y1034 HydrophobicContact CB-CE2 4.24Å
1002F86.8Confident88.7Confident44 Ų4440.9 Ų40.919%0.19320%0.2CC..Hα-helixtrans-59.5-41.1-174.1-173-123.4000114.7I724 I1004 V1005 R1006 Y1034I724-F1002 HydrophobicContact CB-CZ 4.44Å; I724-F1002 HydrophobicContact CD1-CE2 4.07Å; I724-F1002 HydrophobicContact CG2-CE2 4.01Å; I724-F1002 HydrophobicContact CG2-CZ 4.09Å; F1002-I1004 PolarHBondContact O-N 2.76Å; F1002-V1005 PolarHBondContact O-N 2.89Å; F1002-R1006 WeakPolarHBondContact O-CB 3.38Å; F1002-R1006 PolarHBondContact O-N 2.81Å; F1002-Y1034 WeakPolarHBondContact CD2-OH 3.34Å
1003P88.4Confident88Confident36 Ų3641.8 Ų41.823%0.23421%0.206CC..Hα-helixtrans-59.2-30.3172.5-26.336.9000114.2K957 L1000 W1007K957-P1003 HydrophobicContact CB-CB 3.85Å; K957-P1003 PolarHBondContact N-O 3.24Å; L1000-P1003 WeakPolarHBondContact O-CD 3.44Å; P1003-W1007 PolarHBondContact O-N 3.35Å
1004I92.3Very high87.1Confident0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-72.9-48.6177.1-50175.3000109.7K957 W959 T985 L989 Y992 A1001 F1002 R1006 W1007 L1008K957-I1004 HydrophobicContact CB-CG1 4.13Å; K957-I1004 HydrophobicContact CG-CG1 4.35Å; K957-I1004 WeakPolarHBondContact O-CA 3.36Å; W959-I1004 HydrophobicContact CH2-CD1 3.77Å; W959-I1004 HydrophobicContact CH2-CG1 4.2Å; W959-I1004 HydrophobicContact CZ3-CD1 3.82Å; W959-I1004 HydrophobicContact CZ3-CG1 3.96Å; W959-I1004 HydrophobicContact CZ3-CG2 4.18Å; T985-I1004 HydrophobicContact CG2-CG2 3.51Å; L989-I1004 HydrophobicContact CB-CG2 3.89Å; Y992-I1004 HydrophobicContact CD1-CD1 4.16Å; Y992-I1004 HydrophobicContact CD2-CD1 3.81Å; Y992-I1004 HydrophobicContact CE1-CD1 4.23Å; Y992-I1004 HydrophobicContact CE2-CD1 3.91Å; Y992-I1004 HydrophobicContact CG-CD1 3.94Å; A1001-I1004 WeakPolarHBondContact O-CA 3.49Å; A1001-I1004 VanDerWaalsContact O-CB 3.26Å; A1001-I1004 WeakPolarHBondContact O-CB 3.01Å; A1001-I1004 PolarHBondContact O-N 2.91Å; F1002-I1004 PolarHBondContact O-N 2.76Å; I1004-R1006 VanDerWaalsContact C-N 3.28Å; I1004-R1006 PolarHBondContact O-N 2.81Å; I1004-W1007 PolarHBondContact O-N 2.97Å; I1004-W1007 VanDerWaalsContact O-N 3.17Å; I1004-L1008 HydrophobicContact CG2-CD1 4.43Å; I1004-L1008 PolarHBondContact O-N 3.08Å
1005V89.8Confident86.4Confident1 Ų141 Ų411%0.00621%0.205CC..Hα-helixtrans-57.7-43.7175.11750000110.5I724 L989 A1001 F1002 W1007 L1008 V1009 L1031 Y1034I724-V1005 HydrophobicContact CD1-CG1 4.12Å; L989-V1005 HydrophobicContact CD1-CG2 3.77Å; L989-V1005 HydrophobicContact CD2-CG2 3.74Å; L989-V1005 HydrophobicContact CG-CG2 4.45Å; A1001-V1005 PolarHBondContact O-N 2.9Å; F1002-V1005 PolarHBondContact O-N 2.89Å; V1005-W1007 VanDerWaalsContact C-N 3.31Å; V1005-W1007 PolarHBondContact O-N 3.49Å; V1005-L1008 PolarHBondContact O-N 2.8Å; V1005-V1009 HydrophobicContact CG1-CG2 4.04Å; V1005-V1009 VanDerWaalsContact O-CB 3.27Å; V1005-V1009 WeakPolarHBondContact O-CB 3.16Å; V1005-V1009 VanDerWaalsContact O-CG2 3.28Å; V1005-V1009 WeakPolarHBondContact O-CG2 3.36Å; V1005-V1009 PolarHBondContact O-N 2.84Å; V1005-L1031 HydrophobicContact CG1-CD2 3.91Å; V1005-Y1034 HydrophobicContact CB-CD1 4.46Å; V1005-Y1034 HydrophobicContact CB-CE1 4.36Å; V1005-Y1034 HydrophobicContact CG1-CD1 3.99Å; V1005-Y1034 HydrophobicContact CG1-CE1 3.95Å; V1005-Y1034 HydrophobicContact CG2-CD1 3.71Å; V1005-Y1034 HydrophobicContact CG2-CD2 3.49Å; V1005-Y1034 VanDerWaalsContact CG2-CD2 3.49Å; V1005-Y1034 HydrophobicContact CG2-CE1 3.88Å; V1005-Y1034 HydrophobicContact CG2-CE2 3.69Å; V1005-Y1034 HydrophobicContact CG2-CG 3.5Å
1006R85.2Confident85.7Confident28 Ų2837.5 Ų37.511%0.10619%0.192CC..Hα-helixtrans-59.3-42.6178.5-161.6-168.4-76132.8-6.2111.5D954 G955 F956 F1002 I1004 Y1010D954-R1006 PolarHBondContact O-NH1 3.35Å; D954-R1006 VanDerWaalsContact O-NH1 3.09Å; D954-R1006 IonicContact OD2-NH2 2.72Å; G955-R1006 PolarHBondContact O-NH1 3.03Å; F956-R1006 HydrophobicContact CD1-CB 4.25Å; F956-R1006 HydrophobicContact CD1-CG 4.16Å; F956-R1006 HydrophobicContact CE1-CB 4.28Å; F956-R1006 HydrophobicContact CE1-CG 3.76Å; F1002-R1006 WeakPolarHBondContact O-CB 3.38Å; F1002-R1006 PolarHBondContact O-N 2.81Å; I1004-R1006 VanDerWaalsContact C-N 3.28Å; I1004-R1006 PolarHBondContact O-N 2.81Å; R1006-Y1010 VanDerWaalsContact O-CB 3.23Å; R1006-Y1010 WeakPolarHBondContact O-CB 3.2Å; R1006-Y1010 PolarHBondContact O-N 2.95Å
1007W88.3Confident85.3Confident5 Ų531.2 Ų31.22%0.01916%0.158CC..Hα-helixtrans-66.3-47.6176-174.894.1000111.7F956 Y958 P977 D981 V982 T985 P1003 I1004 V1005 V1009 Y1010 R1011F956-W1007 HydrophobicContact CB-CB 4.22Å; F956-W1007 HydrophobicContact CB-CG 4.49Å; F956-W1007 HydrophobicContact CD1-CB 3.99Å; F956-W1007 HydrophobicContact CG-CB 4.33Å; Y958-W1007 AromaticContact CD1-CD1 3.41Å; Y958-W1007 VanDerWaalsContact CD1-CD1 3.41Å; Y958-W1007 HydrophobicContact CD1-CG 4.14Å; Y958-W1007 AromaticContact CD1-NE1 3.35Å; Y958-W1007 AromaticContact CD2-CE2 3.86Å; Y958-W1007 AromaticContact CD2-CZ2 3.91Å; Y958-W1007 HydrophobicContact CD2-CZ2 3.91Å; Y958-W1007 AromaticContact CD2-NE1 3.71Å; Y958-W1007 AromaticContact CE1-NE1 3.86Å; Y958-W1007 AromaticContact CG-CD1 3.66Å; Y958-W1007 HydrophobicContact CG-CD2 4.06Å; Y958-W1007 AromaticContact CG-CE2 3.57Å; Y958-W1007 HydrophobicContact CG-CG 4.1Å; Y958-W1007 HydrophobicContact CG-CZ2 4.08Å; Y958-W1007 AromaticContact CG-NE1 3.27Å; Y958-W1007 VanDerWaalsContact CG-NE1 3.27Å; P977-W1007 HydrophobicContact CB-CH2 4.17Å; P977-W1007 HydrophobicContact CB-CZ2 4.09Å; P977-W1007 HydrophobicContact CG-CH2 4.29Å; P977-W1007 HydrophobicContact CG-CZ2 4.43Å; D981-W1007 HydrophobicContact CB-CH2 4.31Å; V982-W1007 HydrophobicContact CB-CZ3 4.48Å; V982-W1007 HydrophobicContact CG2-CH2 3.93Å; V982-W1007 HydrophobicContact CG2-CZ3 4.13Å; T985-W1007 HydrophobicContact CG2-CD2 4.48Å; T985-W1007 HydrophobicContact CG2-CE3 3.62Å; T985-W1007 HydrophobicContact CG2-CZ3 3.82Å; P1003-W1007 PolarHBondContact O-N 3.35Å; I1004-W1007 PolarHBondContact O-N 2.97Å; I1004-W1007 VanDerWaalsContact O-N 3.17Å; V1005-W1007 VanDerWaalsContact C-N 3.31Å; V1005-W1007 PolarHBondContact O-N 3.49Å; W1007-V1009 PolarHBondContact O-N 3.31Å; W1007-Y1010 WeakPolarHBondContact O-CB 3.28Å; W1007-Y1010 PolarHBondContact O-N 2.79Å; W1007-Y1010 VanDerWaalsContact O-N 3.16Å; W1007-R1011 HydrophobicContact CD2-CG 4.1Å; W1007-R1011 HydrophobicContact CE3-CG 4.28Å; W1007-R1011 HydrophobicContact CH2-CG 4.27Å; W1007-R1011 HydrophobicContact CZ2-CG 4.08Å; W1007-R1011 HydrophobicContact CZ3-CG 4.36Å; W1007-R1011 WeakPolarHBondContact O-CG 3.17Å; W1007-R1011 PolarHBondContact O-N 3.13Å; W1007-R1011 VanDerWaalsContact O-N 3.08Å
1008L90.5Very high85Confident0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-59.2-47.6177.9-73.6171.2000111.4V982 T985 A986 L989 I1004 V1005 Y1010 R1011 R1012 F1018 A1027 L1031V982-L1008 HydrophobicContact CG1-CD2 3.99Å; T985-L1008 HydrophobicContact CG2-CD2 4.12Å; T985-L1008 HydrophobicContact CG2-CG 4.1Å; A986-L1008 HydrophobicContact CB-CD1 4.39Å; A986-L1008 HydrophobicContact CB-CD2 4.35Å; L989-L1008 HydrophobicContact CB-CD1 4.29Å; L989-L1008 HydrophobicContact CD2-CD1 3.61Å; I1004-L1008 HydrophobicContact CG2-CD1 4.43Å; I1004-L1008 PolarHBondContact O-N 3.08Å; V1005-L1008 PolarHBondContact O-N 2.8Å; L1008-Y1010 VanDerWaalsContact C-N 3.31Å; L1008-Y1010 PolarHBondContact O-N 2.86Å; L1008-R1011 PolarHBondContact O-N 3.19Å; L1008-R1012 PolarHBondContact O-N 2.8Å; L1008-F1018 WeakPolarHBondContact O-CE1 3.44Å; L1008-A1027 HydrophobicContact CD2-CB 4.24Å; L1008-L1031 HydrophobicContact CB-CD2 4.31Å
1009V87.3Confident84.5Confident2 Ų227.9 Ų27.91%0.01214%0.142CC..Hα-helixtrans-60.3-42.2176.8168.50000111P722 I724 V760 V1005 W1007 R1011 R1012 L1031 F1091P722-V1009 HydrophobicContact CB-CG1 4.03Å; P722-V1009 HydrophobicContact CG-CG1 4.33Å; P722-V1009 WeakPolarHBondContact CG-O 3.39Å; I724-V1009 HydrophobicContact CD1-CB 4.09Å; I724-V1009 HydrophobicContact CD1-CG1 4.09Å; I724-V1009 HydrophobicContact CD1-CG2 4.01Å; I724-V1009 HydrophobicContact CG1-CG1 3.99Å; V760-V1009 HydrophobicContact CG2-CG2 3.93Å; V1005-V1009 HydrophobicContact CG1-CG2 4.04Å; V1005-V1009 VanDerWaalsContact O-CB 3.27Å; V1005-V1009 WeakPolarHBondContact O-CB 3.16Å; V1005-V1009 VanDerWaalsContact O-CG2 3.28Å; V1005-V1009 WeakPolarHBondContact O-CG2 3.36Å; V1005-V1009 PolarHBondContact O-N 2.84Å; W1007-V1009 PolarHBondContact O-N 3.31Å; V1009-R1011 PolarHBondContact O-N 3.49Å; V1009-R1012 WeakPolarHBondContact O-CB 3.1Å; V1009-R1012 PolarHBondContact O-N 3.34Å; V1009-R1012 VanDerWaalsContact O-N 3.11Å; V1009-L1031 HydrophobicContact CG2-CD1 4.45Å; V1009-L1031 HydrophobicContact CG2-CD2 3.91Å; V1009-F1091 HydrophobicContact CG1-CD2 4.03Å; V1009-F1091 HydrophobicContact CG1-CE2 3.17Å; V1009-F1091 HydrophobicContact CG1-CZ 3.82Å
1010Y84.7Confident84.1Confident52 Ų5220.7 Ų20.720%0.20410%0.103CC..Hα-helixtrans-58.9-28.8174.8-172.3-101.2000113.6M948 F952 F956 R1006 W1007 L1008M948-Y1010 HydrophobicContact CE-CE1 4.17Å; M948-Y1010 HydrophobicContact CE-CE2 4.45Å; F952-Y1010 HydrophobicContact CE2-CD2 4.45Å; F956-Y1010 HydrophobicContact CE1-CG 4.5Å; F956-Y1010 HydrophobicContact CZ-CD1 4.33Å; F956-Y1010 HydrophobicContact CZ-CD2 4.28Å; F956-Y1010 HydrophobicContact CZ-CG 4.03Å; R1006-Y1010 VanDerWaalsContact O-CB 3.23Å; R1006-Y1010 WeakPolarHBondContact O-CB 3.2Å; R1006-Y1010 PolarHBondContact O-N 2.95Å; W1007-Y1010 WeakPolarHBondContact O-CB 3.28Å; W1007-Y1010 PolarHBondContact O-N 2.79Å; W1007-Y1010 VanDerWaalsContact O-N 3.16Å; L1008-Y1010 VanDerWaalsContact C-N 3.31Å; L1008-Y1010 PolarHBondContact O-N 2.86Å
1011R84.2Confident83.2Confident57 Ų5715.9 Ų15.922%0.2158%0.078CC..THydrogen-bonded Turntrans-92.31.1179.5-58.9-53.3-162.2171.2-4.6114.1D975 P977 W1007 L1008 V1009 F1018D975-R1011 PolarHBondContact O-NH1 3.16Å; D975-R1011 VanDerWaalsContact O-NH1 3.14Å; D975-R1011 IonicContact OD2-CZ 3.88Å; D975-R1011 IonicContact OD2-NH1 2.9Å; D975-R1011 PolarHBondContact OD2-NH1 3.11Å; D975-R1011 IonicContact OD2-NH2 3.04Å; P977-R1011 HydrophobicContact CG-CB 3.91Å; P977-R1011 HydrophobicContact CG-CG 3.74Å; W1007-R1011 HydrophobicContact CD2-CG 4.1Å; W1007-R1011 HydrophobicContact CE3-CG 4.28Å; W1007-R1011 HydrophobicContact CH2-CG 4.27Å; W1007-R1011 HydrophobicContact CZ2-CG 4.08Å; W1007-R1011 HydrophobicContact CZ3-CG 4.36Å; W1007-R1011 WeakPolarHBondContact O-CG 3.17Å; W1007-R1011 PolarHBondContact O-N 3.13Å; W1007-R1011 VanDerWaalsContact O-N 3.08Å; L1008-R1011 PolarHBondContact O-N 3.19Å; V1009-R1011 PolarHBondContact O-N 3.49Å; R1011-F1018 HydrophobicContact CB-CD1 4.47Å; R1011-F1018 HydrophobicContact CB-CE1 4.3Å
1012R82Confident82.5Confident6 Ų615.9 Ų15.92%0.0238%0.078CC..  trans-70.2144.3174.2-71.2175.676.6-172.56.8111.9V760 T764 L1008 V1009 G1016 G1017 F1018V760-R1012 PolarHBondContact O-NH1 2.79Å; V760-R1012 PolarHBondContact O-NH2 2.73Å; T764-R1012 PolarHBondContact OG1-NH2 3.05Å; L1008-R1012 PolarHBondContact O-N 2.8Å; V1009-R1012 WeakPolarHBondContact O-CB 3.1Å; V1009-R1012 PolarHBondContact O-N 3.34Å; V1009-R1012 VanDerWaalsContact O-N 3.11Å; R1012-G1016 PolarHBondContact NE-O 3.19Å; R1012-G1016 PolarHBondContact NH2-O 3.49Å; R1012-G1016 VanDerWaalsContact NH2-O 3.11Å; R1012-G1017 WeakPolarHBondContact CA-O 3.12Å; R1012-F1018 HydrophobicContact CG-CD1 4.46Å; R1012-F1018 HydrophobicContact CG-CD2 4.48Å; R1012-F1018 HydrophobicContact CG-CE1 3.74Å; R1012-F1018 HydrophobicContact CG-CE2 3.75Å; R1012-F1018 HydrophobicContact CG-CZ 3.33Å
1013N80.9Confident82.2Confident24 Ų2413.8 Ų13.813%0.1287%0.069CC..  trans-79.2173.2173.672.937.8000112L771 L1015 G1016 G1017 F1018 Q1093L771-N1013 PolarHBondContact O-ND2 2.88Å; N1013-L1015 PolarHBondContact O-N 3.12Å; N1013-L1015 WeakPolarHBondContact OD1-CA 3.22Å; N1013-L1015 WeakPolarHBondContact OD1-CB 3.38Å; N1013-L1015 PolarHBondContact OD1-N 3.32Å; N1013-G1016 PolarHBondContact O-N 2.99Å; N1013-G1016 VanDerWaalsContact O-N 3.07Å; N1013-G1016 PolarHBondContact OD1-N 2.89Å; N1013-G1016 VanDerWaalsContact OD1-N 3.14Å; N1013-G1017 PolarHBondContact N-O 3.28Å; N1013-G1017 PolarHBondContact ND2-O 2.94Å; N1013-G1017 PolarHBondContact OD1-N 2.66Å; N1013-G1017 PolarHBondContact OD1-O 2.99Å; N1013-F1018 PolarHBondContact ND2-O 3.24Å; N1013-Q1093 PolarHBondContact O-NE2 2.6Å
1014A75.1Confident82Confident24 Ų2412.1 Ų12.120%0.1986%0.058CC..THydrogen-bonded Turntrans-55.1-23.4-18000000114.9Q1093A1014-Q1093 VanDerWaalsContact CA-NE2 3.26Å
1015L78.1Confident81.6Confident34 Ų3412.3 Ų12.318%0.1786%0.059CC..THydrogen-bonded Turntrans-103.64.9-174.9-58.3-179000112.4N767 G770 L771 R773 N1013N767-L1015 HydrophobicContact CB-CB 4.1Å; N767-L1015 HydrophobicContact CB-CD2 4.47Å; N767-L1015 VanDerWaalsContact CB-O 3.24Å; N767-L1015 WeakPolarHBondContact CB-O 3.31Å; G770-L1015 WeakPolarHBondContact O-CD1 3.49Å; L771-L1015 WeakPolarHBondContact CD2-O 3.27Å; R773-L1015 HydrophobicContact CG-CD1 3.96Å; R773-L1015 VanDerWaalsContact NE-CD1 3.29Å; N1013-L1015 PolarHBondContact O-N 3.12Å; N1013-L1015 WeakPolarHBondContact OD1-CA 3.22Å; N1013-L1015 WeakPolarHBondContact OD1-CB 3.38Å; N1013-L1015 PolarHBondContact OD1-N 3.32Å
1016G80Confident81.6Confident0 Ų012.2 Ų12.20%06%0.059CC..SBendtrans88.6-4175.700000115.8T764 R1012 N1013T764-G1016 PolarHBondContact OG1-O 3.48Å; R1012-G1016 PolarHBondContact NE-O 3.19Å; R1012-G1016 PolarHBondContact NH2-O 3.49Å; R1012-G1016 VanDerWaalsContact NH2-O 3.11Å; N1013-G1016 PolarHBondContact O-N 2.99Å; N1013-G1016 VanDerWaalsContact O-N 3.07Å; N1013-G1016 PolarHBondContact OD1-N 2.89Å; N1013-G1016 VanDerWaalsContact OD1-N 3.14Å
1017G83.7Confident81.9Confident0 Ų010.9 Ų10.90%05%0.054CC..  trans-96.8-164.1170.700000113.1L771 R1012 N1013L771-G1017 WeakPolarHBondContact O-CA 2.82Å; R1012-G1017 WeakPolarHBondContact CA-O 3.12Å; N1013-G1017 PolarHBondContact N-O 3.28Å; N1013-G1017 PolarHBondContact ND2-O 2.94Å; N1013-G1017 PolarHBondContact OD1-N 2.66Å; N1013-G1017 PolarHBondContact OD1-O 2.99Å
1018F84.3Confident82Confident5 Ų510.7 Ų10.72%0.0225%0.053CC..  trans-123.2-146.7-178.1-64.5-100.1000111.7V982 L1008 R1011 R1012 N1013 D1023 T1024 A1027 L1031V982-F1018 HydrophobicContact CG1-CD1 3.54Å; V982-F1018 HydrophobicContact CG1-CE1 3.77Å; V982-F1018 HydrophobicContact CG1-CG 4.08Å; V982-F1018 HydrophobicContact CG2-CD1 4.42Å; L1008-F1018 WeakPolarHBondContact O-CE1 3.44Å; R1011-F1018 HydrophobicContact CB-CD1 4.47Å; R1011-F1018 HydrophobicContact CB-CE1 4.3Å; R1012-F1018 HydrophobicContact CG-CD1 4.46Å; R1012-F1018 HydrophobicContact CG-CD2 4.48Å; R1012-F1018 HydrophobicContact CG-CE1 3.74Å; R1012-F1018 HydrophobicContact CG-CE2 3.75Å; R1012-F1018 HydrophobicContact CG-CZ 3.33Å; N1013-F1018 PolarHBondContact ND2-O 3.24Å; F1018-D1023 VanDerWaalsContact CB-OD2 3.28Å; F1018-D1023 WeakPolarHBondContact CB-OD2 3.45Å; F1018-T1024 WeakPolarHBondContact CA-OG1 3.45Å; F1018-T1024 WeakPolarHBondContact CB-OG1 3.41Å; F1018-T1024 PolarHBondContact N-OG1 2.84Å; F1018-A1027 HydrophobicContact CD2-CB 3.83Å; F1018-A1027 HydrophobicContact CE1-CB 4.1Å; F1018-A1027 HydrophobicContact CE2-CB 3.32Å; F1018-A1027 HydrophobicContact CG-CB 4.4Å; F1018-A1027 HydrophobicContact CZ-CB 3.46Å; F1018-A1027 VanDerWaalsContact CZ-CB 3.46Å; F1018-L1031 HydrophobicContact CE2-CD1 4.35Å; F1018-L1031 HydrophobicContact CZ-CD1 4.13Å
1019S74.4Confident82Confident10 Ų1011.1 Ų11.17%0.076%0.055CC..SBendtrans-97.1-27.8-166.968.60000113.9M774 P979 D1023M774-S1019 WeakPolarHBondContact CE-O 3.23Å; P979-S1019 WeakPolarHBondContact CG-OG 3.44Å; S1019-D1023 PolarHBondContact N-OD2 3.4Å; S1019-D1023 PolarHBondContact OG-OD2 2.84Å
1020S72.2Confident82.4Confident4 Ų411 Ų113%0.0285%0.054CC..SBendtrans-136.2-176.1179.885.40000111.2I772 P979 D1023 T1024I772-S1020 WeakPolarHBondContact CD1-O 3.38Å; P979-S1020 WeakPolarHBondContact CB-OG 3.04Å; S1020-D1023 WeakPolarHBondContact CA-OD1 3.29Å; S1020-D1023 VanDerWaalsContact CB-OD1 3.27Å; S1020-D1023 WeakPolarHBondContact CB-OD1 3.47Å; S1020-D1023 PolarHBondContact N-OD1 2.8Å; S1020-D1023 PolarHBondContact N-OD2 2.9Å; S1020-D1023 VanDerWaalsContact OG-CG 3.3Å; S1020-D1023 PolarHBondContact OG-OD1 2.9Å; S1020-T1024 VanDerWaalsContact O-CB 3.24Å; S1020-T1024 WeakPolarHBondContact O-CB 3.46Å; S1020-T1024 PolarHBondContact O-N 2.85Å; S1020-T1024 PolarHBondContact O-OG1 3.08Å
1021T69.3Low82.7Confident1 Ų18.5 Ų8.51%0.0065%0.045CC..Hα-helixtrans-70.5-52.9179.1-53.70000112.8I784 L870 T1024 V1025I784-T1021 HydrophobicContact CB-CG2 4.15Å; I784-T1021 HydrophobicContact CD1-CG2 4.35Å; I784-T1021 VanDerWaalsContact CD1-OG1 3.23Å; I784-T1021 WeakPolarHBondContact CD1-OG1 3.27Å; I784-T1021 HydrophobicContact CG1-CG2 3.94Å; L870-T1021 VanDerWaalsContact CD2-CB 3.43Å; L870-T1021 HydrophobicContact CD2-CG2 3.88Å; L870-T1021 WeakPolarHBondContact CD2-OG1 3.41Å; T1021-T1024 PolarHBondContact O-N 2.86Å; T1021-V1025 WeakPolarHBondContact O-CG2 3.39Å; T1021-V1025 PolarHBondContact O-N 3.23Å
1022Q74.1Confident83Confident1 Ų15.9 Ų5.91%0.0054%0.035CC..Hα-helixtrans-70.6-45.9-173-72.4-53.7-35.400113.1W819 F823 L870 T1024 V1025 V1026W819-Q1022 HydrophobicContact CZ2-CG 4.2Å; F823-Q1022 VanDerWaalsContact CD2-NE2 3.29Å; L870-Q1022 WeakPolarHBondContact O-CG 3.45Å; L870-Q1022 PolarHBondContact O-NE2 3.44Å; Q1022-T1024 PolarHBondContact O-N 2.93Å; Q1022-V1025 PolarHBondContact O-N 2.7Å; Q1022-V1025 VanDerWaalsContact O-N 3.1Å; Q1022-V1026 WeakPolarHBondContact O-CG2 3.25Å; Q1022-V1026 PolarHBondContact O-N 3Å
1023D80.7Confident83.4Confident0 Ų07 Ų70%04%0.04CC..Hα-helixtrans-57.2-40.3176.166.5-31000110.7P979 V982 F1018 S1019 S1020 A1027P979-D1023 HydrophobicContact CB-CB 4.12Å; P979-D1023 WeakPolarHBondContact O-CB 3.17Å; V982-D1023 HydrophobicContact CB-CB 3.78Å; V982-D1023 HydrophobicContact CG1-CB 3.75Å; F1018-D1023 VanDerWaalsContact CB-OD2 3.28Å; F1018-D1023 WeakPolarHBondContact CB-OD2 3.45Å; S1019-D1023 PolarHBondContact N-OD2 3.4Å; S1019-D1023 PolarHBondContact OG-OD2 2.84Å; S1020-D1023 WeakPolarHBondContact CA-OD1 3.29Å; S1020-D1023 VanDerWaalsContact CB-OD1 3.27Å; S1020-D1023 WeakPolarHBondContact CB-OD1 3.47Å; S1020-D1023 PolarHBondContact N-OD1 2.8Å; S1020-D1023 PolarHBondContact N-OD2 2.9Å; S1020-D1023 VanDerWaalsContact OG-CG 3.3Å; S1020-D1023 PolarHBondContact OG-OD1 2.9Å; D1023-A1027 WeakPolarHBondContact O-CA 3.38Å; D1023-A1027 WeakPolarHBondContact O-CB 3.41Å; D1023-A1027 PolarHBondContact O-N 2.84Å
1024T84.7Confident83.9Confident0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-64.7-46.3174.7-60.30000112.2L771 I772 F1018 S1020 T1021 Q1022 L1028L771-T1024 HydrophobicContact CB-CG2 4.45Å; I772-T1024 HydrophobicContact CD1-CG2 3.99Å; I772-T1024 WeakPolarHBondContact CD1-OG1 3.24Å; I772-T1024 HydrophobicContact CG1-CG2 4.33Å; F1018-T1024 WeakPolarHBondContact CA-OG1 3.45Å; F1018-T1024 WeakPolarHBondContact CB-OG1 3.41Å; F1018-T1024 PolarHBondContact N-OG1 2.84Å; S1020-T1024 VanDerWaalsContact O-CB 3.24Å; S1020-T1024 WeakPolarHBondContact O-CB 3.46Å; S1020-T1024 PolarHBondContact O-N 2.85Å; S1020-T1024 PolarHBondContact O-OG1 3.08Å; T1021-T1024 PolarHBondContact O-N 2.86Å; Q1022-T1024 PolarHBondContact O-N 2.93Å; T1024-L1028 HydrophobicContact CG2-CD1 3.62Å; T1024-L1028 HydrophobicContact CG2-CG 4.21Å; T1024-L1028 WeakPolarHBondContact O-CB 3.46Å; T1024-L1028 WeakPolarHBondContact O-CD1 3.3Å; T1024-L1028 WeakPolarHBondContact O-CG 3.15Å; T1024-L1028 PolarHBondContact O-N 2.81Å
1025V84.7Confident84.5Confident4 Ų46 Ų62%0.0243%0.031CC..Hα-helixtrans-61.3-53.1178.6165.60000111.3V787 P788 I791 F823 T1021 Q1022 L1028 Q1029V787-V1025 HydrophobicContact CB-CG1 4.35Å; V787-V1025 HydrophobicContact CB-CG2 3.79Å; V787-V1025 HydrophobicContact CG1-CB 4.33Å; V787-V1025 HydrophobicContact CG1-CG1 3.5Å; V787-V1025 VanDerWaalsContact CG1-CG1 3.5Å; V787-V1025 HydrophobicContact CG1-CG2 3.86Å; P788-V1025 HydrophobicContact CG-CG2 4.41Å; I791-V1025 HydrophobicContact CD1-CG1 4.17Å; I791-V1025 WeakPolarHBondContact CD1-O 3.48Å; F823-V1025 HydrophobicContact CE2-CG1 4.49Å; T1021-V1025 WeakPolarHBondContact O-CG2 3.39Å; T1021-V1025 PolarHBondContact O-N 3.23Å; Q1022-V1025 PolarHBondContact O-N 2.7Å; Q1022-V1025 VanDerWaalsContact O-N 3.1Å; V1025-L1028 PolarHBondContact O-N 3.44Å; V1025-Q1029 WeakPolarHBondContact O-CB 3.3Å; V1025-Q1029 PolarHBondContact O-N 2.82Å
1026V88.9Confident84.8Confident0 Ų06.7 Ų6.70%03%0.033CC..Hα-helixtrans-71-41-174.6-175.80000111E983 A986 Y987 Q1022 Q1029 A1030E983-V1026 HydrophobicContact CG-CB 4.28Å; E983-V1026 HydrophobicContact CG-CG1 4.4Å; E983-V1026 HydrophobicContact CG-CG2 4.13Å; A986-V1026 HydrophobicContact CB-CB 4.35Å; A986-V1026 HydrophobicContact CB-CG1 3.73Å; Y987-V1026 HydrophobicContact CD1-CG1 4.02Å; Y987-V1026 HydrophobicContact CD2-CG1 3.92Å; Y987-V1026 HydrophobicContact CE1-CG1 3.86Å; Y987-V1026 HydrophobicContact CE2-CG1 3.75Å; Y987-V1026 HydrophobicContact CE2-CG2 4.06Å; Y987-V1026 HydrophobicContact CG-CG1 4.03Å; Q1022-V1026 WeakPolarHBondContact O-CG2 3.25Å; Q1022-V1026 PolarHBondContact O-N 3Å; V1026-Q1029 WeakPolarHBondContact O-CB 3.45Å; V1026-Q1029 PolarHBondContact O-N 2.76Å; V1026-A1030 WeakPolarHBondContact O-CB 3.19Å; V1026-A1030 PolarHBondContact O-N 2.8Å
1027A91.5Very high85Confident0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-68.5-37.6177.600000112.4V982 A986 L1008 F1018 D1023 Q1029 A1030 L1031V982-A1027 HydrophobicContact CG1-CB 3.88Å; A986-A1027 HydrophobicContact CB-CB 4.02Å; L1008-A1027 HydrophobicContact CD2-CB 4.24Å; F1018-A1027 HydrophobicContact CD2-CB 3.83Å; F1018-A1027 HydrophobicContact CE1-CB 4.1Å; F1018-A1027 HydrophobicContact CE2-CB 3.32Å; F1018-A1027 HydrophobicContact CG-CB 4.4Å; F1018-A1027 HydrophobicContact CZ-CB 3.46Å; F1018-A1027 VanDerWaalsContact CZ-CB 3.46Å; D1023-A1027 WeakPolarHBondContact O-CA 3.38Å; D1023-A1027 WeakPolarHBondContact O-CB 3.41Å; D1023-A1027 PolarHBondContact O-N 2.84Å; A1027-Q1029 VanDerWaalsContact C-N 3.35Å; A1027-A1030 PolarHBondContact O-N 3.03Å; A1027-L1031 WeakPolarHBondContact O-CB 3.35Å; A1027-L1031 VanDerWaalsContact O-CG 3.23Å; A1027-L1031 WeakPolarHBondContact O-CG 3.44Å; A1027-L1031 PolarHBondContact O-N 3.03Å
1028L90.9Very high84.8Confident0 Ų013.3 Ų13.30%07%0.067CC..Hα-helixtrans-66.7-38172.5-70.9177.2000111.8M761 T764 L771 P788 I791 T1024 V1025 A1032M761-L1028 HydrophobicContact CE-CB 4.4Å; M761-L1028 HydrophobicContact CE-CD2 4.14Å; T764-L1028 HydrophobicContact CG2-CD1 3.64Å; T764-L1028 HydrophobicContact CG2-CD2 3.75Å; T764-L1028 HydrophobicContact CG2-CG 4.32Å; T764-L1028 WeakPolarHBondContact OG1-CD2 3.39Å; L771-L1028 HydrophobicContact CD1-CD1 3.87Å; P788-L1028 HydrophobicContact CB-CD1 3.98Å; P788-L1028 HydrophobicContact CG-CD1 4.37Å; I791-L1028 HydrophobicContact CD1-CB 4.33Å; I791-L1028 HydrophobicContact CG2-CB 4.37Å; T1024-L1028 HydrophobicContact CG2-CD1 3.62Å; T1024-L1028 HydrophobicContact CG2-CG 4.21Å; T1024-L1028 WeakPolarHBondContact O-CB 3.46Å; T1024-L1028 WeakPolarHBondContact O-CD1 3.3Å; T1024-L1028 WeakPolarHBondContact O-CG 3.15Å; T1024-L1028 PolarHBondContact O-N 2.81Å; V1025-L1028 PolarHBondContact O-N 3.44Å; L1028-A1032 WeakPolarHBondContact O-CB 3.34Å; L1028-A1032 PolarHBondContact O-N 3.46Å
1029Q91.2Very high84.5Confident9 Ų918.1 Ų18.14%0.0429%0.086CC..Hα-helixtrans-59.4-49.1172.6-178.5-1802.700110.4I791 L990 V1025 V1026 A1027 L1031 A1032 H1033I791-Q1029 HydrophobicContact CD1-CB 4Å; I791-Q1029 HydrophobicContact CG1-CB 4.45Å; L990-Q1029 HydrophobicContact CD1-CG 4.42Å; L990-Q1029 HydrophobicContact CD2-CG 4.42Å; V1025-Q1029 WeakPolarHBondContact O-CB 3.3Å; V1025-Q1029 PolarHBondContact O-N 2.82Å; V1026-Q1029 WeakPolarHBondContact O-CB 3.45Å; V1026-Q1029 PolarHBondContact O-N 2.76Å; A1027-Q1029 VanDerWaalsContact C-N 3.35Å; Q1029-L1031 PolarHBondContact O-N 3.04Å; Q1029-A1032 PolarHBondContact O-N 2.68Å; Q1029-H1033 PolarHBondContact O-CD2 3.26Å; Q1029-H1033 VanDerWaalsContact O-CD2 3.26Å; Q1029-H1033 PolarHBondContact O-N 3.2Å
1030A94.3Very high84.3Confident0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-63.4-42.8-179.300000112.7A986 L989 L990 V1026 A1027 H1033 Y1034A986-A1030 HydrophobicContact CB-CB 3.91Å; A986-A1030 WeakPolarHBondContact O-CB 3.32Å; L989-A1030 HydrophobicContact CB-CB 4.17Å; L989-A1030 HydrophobicContact CD2-CB 3.79Å; L989-A1030 HydrophobicContact CG-CB 4.1Å; L990-A1030 HydrophobicContact CD1-CB 4.36Å; L990-A1030 HydrophobicContact CD2-CB 4.22Å; L990-A1030 HydrophobicContact CG-CB 3.81Å; V1026-A1030 WeakPolarHBondContact O-CB 3.19Å; V1026-A1030 PolarHBondContact O-N 2.8Å; A1027-A1030 PolarHBondContact O-N 3.03Å; A1030-H1033 PolarHBondContact O-N 3.08Å; A1030-Y1034 WeakPolarHBondContact O-CB 3.32Å; A1030-Y1034 PolarHBondContact O-N 2.62Å
1031L92.3Very high84.2Confident0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-67.4-37.8176-70.2174.4000112.3M761 V1005 L1008 V1009 F1018 A1027 Q1029 Y1034 A1035M761-L1031 HydrophobicContact SD-CB 3.93Å; V1005-L1031 HydrophobicContact CG1-CD2 3.91Å; L1008-L1031 HydrophobicContact CB-CD2 4.31Å; V1009-L1031 HydrophobicContact CG2-CD1 4.45Å; V1009-L1031 HydrophobicContact CG2-CD2 3.91Å; F1018-L1031 HydrophobicContact CE2-CD1 4.35Å; F1018-L1031 HydrophobicContact CZ-CD1 4.13Å; A1027-L1031 WeakPolarHBondContact O-CB 3.35Å; A1027-L1031 VanDerWaalsContact O-CG 3.23Å; A1027-L1031 WeakPolarHBondContact O-CG 3.44Å; A1027-L1031 PolarHBondContact O-N 3.03Å; Q1029-L1031 PolarHBondContact O-N 3.04Å; L1031-Y1034 PolarHBondContact O-N 3.33Å; L1031-A1035 WeakPolarHBondContact O-CB 3.22Å; L1031-A1035 PolarHBondContact O-N 3.04Å
1032A90.3Very high84.5Confident2 Ų229.5 Ų29.52%0.01715%0.152CC..Hα-helixtrans-62.9-48.3174.400000111.1M761 I791 L1028 Q1029 Y1034 A1035 E1036M761-A1032 HydrophobicContact CE-CB 3.96Å; M761-A1032 HydrophobicContact CG-CB 4.31Å; M761-A1032 HydrophobicContact SD-CB 4.02Å; I791-A1032 HydrophobicContact CG2-CB 3.74Å; L1028-A1032 WeakPolarHBondContact O-CB 3.34Å; L1028-A1032 PolarHBondContact O-N 3.46Å; Q1029-A1032 PolarHBondContact O-N 2.68Å; A1032-Y1034 VanDerWaalsContact C-N 3.33Å; A1032-Y1034 PolarHBondContact O-N 3.25Å; A1032-A1035 WeakPolarHBondContact O-CB 3.48Å; A1032-A1035 PolarHBondContact O-N 3.43Å; A1032-A1035 VanDerWaalsContact O-N 3.17Å; A1032-E1036 WeakPolarHBondContact O-CG 3.16Å; A1032-E1036 PolarHBondContact O-N 2.62Å
1033H90.3Very high84.8Confident28 Ų2830 Ų3013%0.1316%0.155CC..Hα-helixtrans-60.1-42.4175-87.5-93.9000111.7R794 L990 L993 Q1029 A1030 A1035 E1036 H1037R794-H1033 PolarHBondContact NH2-CE1 2.97Å; R794-H1033 VanDerWaalsContact NH2-CE1 3.32Å; L990-H1033 HydrophobicContact CD2-CB 3.91Å; L993-H1033 HydrophobicContact CD1-CB 3.73Å; Q1029-H1033 PolarHBondContact O-CD2 3.26Å; Q1029-H1033 VanDerWaalsContact O-CD2 3.26Å; Q1029-H1033 PolarHBondContact O-N 3.2Å; A1030-H1033 PolarHBondContact O-N 3.08Å; H1033-A1035 VanDerWaalsContact C-N 3.34Å; H1033-A1035 PolarHBondContact O-N 2.64Å; H1033-E1036 WeakPolarHBondContact O-CB 3.31Å; H1033-E1036 PolarHBondContact O-N 2.94Å; H1033-H1037 PolarHBondContact O-N 3.31Å; H1033-H1037 VanDerWaalsContact O-N 3.13Å; H1033-H1037 PolarHBondContact O-ND1 2.75Å
1034Y91.2Very high85.2Confident25 Ų2534.7 Ų34.710%0.09818%0.18CC..Hα-helixtrans-62.5-42.1175.1179.9-95.8000111.8L989 L993 T998 A1001 F1002 V1005 A1030 L1031 A1032 E1036 H1037 T1038L989-Y1034 HydrophobicContact CD1-CD2 4.27Å; L993-Y1034 HydrophobicContact CD2-CD2 4.05Å; T998-Y1034 HydrophobicContact CG2-CD2 4.4Å; T998-Y1034 HydrophobicContact CG2-CE2 3.91Å; A1001-Y1034 HydrophobicContact CB-CD2 4.38Å; A1001-Y1034 HydrophobicContact CB-CE2 4.24Å; F1002-Y1034 WeakPolarHBondContact CD2-OH 3.34Å; V1005-Y1034 HydrophobicContact CB-CD1 4.46Å; V1005-Y1034 HydrophobicContact CB-CE1 4.36Å; V1005-Y1034 HydrophobicContact CG1-CD1 3.99Å; V1005-Y1034 HydrophobicContact CG1-CE1 3.95Å; V1005-Y1034 HydrophobicContact CG2-CD1 3.71Å; V1005-Y1034 HydrophobicContact CG2-CD2 3.49Å; V1005-Y1034 VanDerWaalsContact CG2-CD2 3.49Å; V1005-Y1034 HydrophobicContact CG2-CE1 3.88Å; V1005-Y1034 HydrophobicContact CG2-CE2 3.69Å; V1005-Y1034 HydrophobicContact CG2-CG 3.5Å; A1030-Y1034 WeakPolarHBondContact O-CB 3.32Å; A1030-Y1034 PolarHBondContact O-N 2.62Å; L1031-Y1034 PolarHBondContact O-N 3.33Å; A1032-Y1034 VanDerWaalsContact C-N 3.33Å; A1032-Y1034 PolarHBondContact O-N 3.25Å; Y1034-E1036 VanDerWaalsContact C-N 3.34Å; Y1034-E1036 PolarHBondContact O-N 3.03Å; Y1034-H1037 PolarHBondContact O-N 3.17Å; Y1034-T1038 HydrophobicContact CD1-CG2 4.41Å; Y1034-T1038 HydrophobicContact CD2-CG2 4.31Å; Y1034-T1038 HydrophobicContact CE1-CG2 3.92Å; Y1034-T1038 HydrophobicContact CE2-CG2 3.8Å; Y1034-T1038 PolarHBondContact O-N 3.29Å; Y1034-T1038 PolarHBondContact O-OG1 2.94Å
1035A86.9Confident85.5Confident4 Ų434.7 Ų34.73%0.03318%0.18CC..Hα-helixtrans-61.5-41.1176.400000111.8V760 M761 Y795 L1031 A1032 H1033 H1037 T1038 Y1039V760-A1035 HydrophobicContact CG1-CB 3.55Å; M761-A1035 HydrophobicContact CG-CB 4.28Å; Y795-A1035 HydrophobicContact CD2-CB 4.11Å; Y795-A1035 HydrophobicContact CE2-CB 3.69Å; L1031-A1035 WeakPolarHBondContact O-CB 3.22Å; L1031-A1035 PolarHBondContact O-N 3.04Å; A1032-A1035 WeakPolarHBondContact O-CB 3.48Å; A1032-A1035 PolarHBondContact O-N 3.43Å; A1032-A1035 VanDerWaalsContact O-N 3.17Å; H1033-A1035 VanDerWaalsContact C-N 3.34Å; H1033-A1035 PolarHBondContact O-N 2.64Å; A1035-H1037 VanDerWaalsContact C-N 3.34Å; A1035-H1037 PolarHBondContact O-N 3.1Å; A1035-T1038 PolarHBondContact O-N 3.12Å; A1035-Y1039 WeakPolarHBondContact O-CA 3.04Å; A1035-Y1039 WeakPolarHBondContact O-CB 3.26Å; A1035-Y1039 PolarHBondContact O-N 3.42Å
1036E85.5Confident85.8Confident48 Ų4835.7 Ų35.722%0.22419%0.189CC..Hα-helixtrans-58.7-42.9173.7-70.8170.2-167.300111.5R794 Y795 A798 A1032 H1033 Y1034R794-E1036 IonicContact NE-OE1 2.86Å; Y795-E1036 HydrophobicContact CD2-CG 4.27Å; A798-E1036 HydrophobicContact CB-CG 3.88Å; A1032-E1036 WeakPolarHBondContact O-CG 3.16Å; A1032-E1036 PolarHBondContact O-N 2.62Å; H1033-E1036 WeakPolarHBondContact O-CB 3.31Å; H1033-E1036 PolarHBondContact O-N 2.94Å; Y1034-E1036 VanDerWaalsContact C-N 3.34Å; Y1034-E1036 PolarHBondContact O-N 3.03Å
1037H83.7Confident86.1Confident90 Ų9035.7 Ų35.742%0.41719%0.189SC..Hα-helixtrans-76-21.9-179.1-70.870.8000113.8L993 T998 H1033 Y1034 A1035L993-H1037 HydrophobicContact CD2-CB 4.28Å; T998-H1037 HydrophobicContact CG2-CB 4.48Å; H1033-H1037 PolarHBondContact O-N 3.31Å; H1033-H1037 VanDerWaalsContact O-N 3.13Å; H1033-H1037 PolarHBondContact O-ND1 2.75Å; Y1034-H1037 PolarHBondContact O-N 3.17Å; A1035-H1037 VanDerWaalsContact C-N 3.34Å; A1035-H1037 PolarHBondContact O-N 3.1Å
1038T80.2Confident86.2Confident48 Ų4836.8 Ų36.829%0.29420%0.196SC..Hα-helixtrans-113.77.3-175.357.10000113.6T998 Y1034 A1035 T1040T998-T1038 HydrophobicContact CG2-CG2 3.49Å; T998-T1038 VanDerWaalsContact CG2-CG2 3.49Å; Y1034-T1038 HydrophobicContact CD1-CG2 4.41Å; Y1034-T1038 HydrophobicContact CD2-CG2 4.31Å; Y1034-T1038 HydrophobicContact CE1-CG2 3.92Å; Y1034-T1038 HydrophobicContact CE2-CG2 3.8Å; Y1034-T1038 PolarHBondContact O-N 3.29Å; Y1034-T1038 PolarHBondContact O-OG1 2.94Å; A1035-T1038 PolarHBondContact O-N 3.12Å; T1038-T1040 PolarHBondContact O-N 2.81Å
1039Y78.1Confident86.3Confident106 Ų10636.8 Ų36.842%0.41620%0.196SC..  trans-58.1130.1179.3-180-99.9000110.8V799 A1035 P1041V799-Y1039 HydrophobicContact CB-CE2 4.29Å; V799-Y1039 HydrophobicContact CG1-CD2 3.86Å; V799-Y1039 HydrophobicContact CG1-CE2 4.1Å; V799-Y1039 HydrophobicContact CG1-CG 4.27Å; A1035-Y1039 WeakPolarHBondContact O-CA 3.04Å; A1035-Y1039 WeakPolarHBondContact O-CB 3.26Å; A1035-Y1039 PolarHBondContact O-N 3.42Å; Y1039-P1041 HydrophobicContact CE1-CB 4.25Å
1040T70.1Confident86.3Confident49 Ų4943 Ų4330%0.30122%0.219SC..  trans-125.5125.4175.655.20000110.4T1038 N1042T1038-T1040 PolarHBondContact O-N 2.81Å; T1040-N1042 VanDerWaalsContact C-N 3.27Å; T1040-N1042 PolarHBondContact O-N 2.81Å
1041P68.6Low86.2Confident78 Ų7843.1 Ų43.151%0.50622%0.219SC..SBendtrans-78.1-7.5-175.629.6-35.1000113.9Y1039 S1062Y1039-P1041 HydrophobicContact CE1-CB 4.25Å; P1041-S1062 WeakPolarHBondContact O-CB 3.38Å; P1041-S1062 PolarHBondContact O-OG 2.96Å
1042N76.4Confident85.8Confident127 Ų12743.9 Ų43.968%0.67923%0.227SC*.  trans-119.754.5-171.5-69.2-19.2000112T1040T1040-N1042 VanDerWaalsContact C-N 3.27Å; T1040-N1042 PolarHBondContact O-N 2.81Å
1043T80.8Confident85.6Confident11 Ų1151.4 Ų51.47%0.06727%0.267CS..  trans-83.7131.6174.1-64.50000109.5L1045 V1060 N1061 S1062T1043-L1045 HydrophobicContact CG2-CD1 4.1Å; T1043-L1045 HydrophobicContact CG2-CG 4.17Å; T1043-V1060 HydrophobicContact CG2-CG1 4.31Å; T1043-N1061 CarbonylContact O-C 3.55Å; T1043-N1061 WeakPolarHBondContact O-CA 3.39Å; T1043-S1062 PolarHBondContact N-OG 2.05Å; T1043-S1062 PolarHBondContact O-N 2.9Å
1044N88.7Confident85.5Confident99 Ų9953.7 Ų53.753%0.52928%0.278SS..EExtended strand (participates in β ladder)trans-150.395.6170.8-172.15.1000108.8V1060 K1087N1044-V1060 CarbonylContact C-O 3.58Å; N1044-V1060 WeakPolarHBondContact CA-O 3.45Å; N1044-K1087 CarbonylContact C-O 3.55Å; N1044-K1087 PolarHBondContact N-O 2.84Å; N1044-K1087 PolarHBondContact O-N 2.96Å
1045L90.1Very high85.5Confident0 Ų059.9 Ų59.90%031%0.305CS..EExtended strand (participates in β ladder)trans-122.6132.6-175.7-68.8172.2000110.6L727 T1043 V1060 A1089 A1090L727-L1045 HydrophobicContact CB-CD2 4.34Å; L727-L1045 HydrophobicContact CD1-CD2 3.55Å; L727-L1045 HydrophobicContact CG-CD2 4.08Å; T1043-L1045 HydrophobicContact CG2-CD1 4.1Å; T1043-L1045 HydrophobicContact CG2-CG 4.17Å; L1045-V1060 HydrophobicContact CB-CB 4.32Å; L1045-V1060 PolarHBondContact N-O 3.05Å; L1045-V1060 PolarHBondContact O-N 2.79Å; L1045-A1089 WeakPolarHBondContact CD1-O 3.11Å; L1045-A1090 HydrophobicContact CD1-CB 3.58Å
1046A92.5Very high85.8Confident25 Ų2560.4 Ų60.421%0.20731%0.309CS..EExtended strand (participates in β ladder)trans-103108.7170.200000108.8L1057 A1084 E1085A1046-L1057 HydrophobicContact CB-CD1 4.25Å; A1046-A1084 WeakPolarHBondContact O-CA 3.5Å; A1046-E1085 PolarHBondContact N-O 3.13Å; A1046-E1085 PolarHBondContact O-N 3.43Å
1047I93.6Very high86.2Confident0 Ų063.1 Ų63.10%033%0.325CS..EExtended strand (participates in β ladder)trans-105.1121.3-178.8-60.4167.4000108.9I756 F1058 V1060 I1082 S1083 A1084 A1090 V1092I756-I1047 HydrophobicContact CD1-CB 4.43Å; I756-I1047 HydrophobicContact CD1-CG2 3.97Å; I756-I1047 HydrophobicContact CG2-CD1 3.59Å; I1047-F1058 PolarHBondContact N-O 3.01Å; I1047-F1058 PolarHBondContact O-N 2.89Å; I1047-V1060 HydrophobicContact CD1-CG2 4.01Å; I1047-I1082 HydrophobicContact CG2-CG2 4.2Å; I1047-S1083 CarbonylContact C-O 3.47Å; I1047-S1083 WeakPolarHBondContact CA-O 3.46Å; I1047-A1084 HydrophobicContact CG1-CB 3.99Å; I1047-A1090 HydrophobicContact CD1-CB 3.59Å; I1047-V1092 HydrophobicContact CD1-CG2 4.05Å; I1047-V1092 HydrophobicContact CG2-CG2 4.48Å
1048T94.3Very high86.6Confident24 Ų2460.1 Ų60.115%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-107.8124.2177.8-62.80000110K1055 A1056 L1057 I1082 S1083T1048-K1055 HydrophobicContact CG2-CD 4.23Å; T1048-K1055 HydrophobicContact CG2-CG 3.85Å; T1048-A1056 WeakPolarHBondContact CA-O 3.46Å; T1048-L1057 WeakPolarHBondContact OG1-CD1 3.37Å; T1048-I1082 WeakPolarHBondContact O-CA 3.05Å; T1048-S1083 WeakPolarHBondContact CB-OG 3.43Å; T1048-S1083 PolarHBondContact N-O 3.21Å; T1048-S1083 PolarHBondContact O-N 3.31Å; T1048-S1083 PolarHBondContact O-OG 3.42Å
1049I93.1Very high87.2Confident0 Ų062 Ų620%032%0.316CS..EExtended strand (participates in β ladder)trans-105127.1170.5-59.8167.5000108.3V754 I756 K1055 A1056 F1058 Y1071 I1073 I1080 D1081V754-I1049 HydrophobicContact CB-CD1 3.66Å; V754-I1049 HydrophobicContact CG1-CD1 3.43Å; V754-I1049 VanDerWaalsContact CG1-CD1 3.43Å; V754-I1049 HydrophobicContact CG1-CG1 4.35Å; V754-I1049 HydrophobicContact CG2-CD1 4.27Å; I756-I1049 HydrophobicContact CD1-CD1 3.58Å; I756-I1049 HydrophobicContact CD1-CG1 4.32Å; I756-I1049 HydrophobicContact CG1-CD1 4.36Å; I1049-K1055 WeakPolarHBondContact O-CA 3.1Å; I1049-A1056 PolarHBondContact N-O 3.44Å; I1049-A1056 PolarHBondContact O-N 3.38Å; I1049-F1058 HydrophobicContact CD1-CD2 4.07Å; I1049-F1058 HydrophobicContact CD1-CE2 3.75Å; I1049-F1058 HydrophobicContact CG1-CE2 4.42Å; I1049-Y1071 HydrophobicContact CB-CD1 4.49Å; I1049-Y1071 HydrophobicContact CD1-CD1 4.4Å; I1049-Y1071 HydrophobicContact CG2-CD1 3.99Å; I1049-Y1071 HydrophobicContact CG2-CE1 4.19Å; I1049-I1073 HydrophobicContact CG2-CD1 4.49Å; I1049-I1080 HydrophobicContact CG2-CG2 3.95Å; I1049-D1081 WeakPolarHBondContact CA-O 3.28Å
1050R91.8Very high87.7Confident140 Ų14056.9 Ų56.953%0.52830%0.296SS..EExtended strand (participates in β ladder)trans-120.1130.2173.5-177.2-178.7166-172.7-7.7110.2G1052 H1054 I1080 D1081R1050-G1052 PolarHBondContact NE-O 3.45Å; R1050-H1054 WeakPolarHBondContact CA-O 3.26Å; R1050-I1080 WeakPolarHBondContact O-CA 3.49Å; R1050-D1081 HydrophobicContact CB-CB 4.33Å; R1050-D1081 PolarHBondContact N-O 2.82Å; R1050-D1081 PolarHBondContact O-N 2.86Å
1051N91.2Very high88.7Confident1 Ų157 Ų571%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-135.995.4174.3177.7-123.8000107.3D1053 H1054 I1073 Q1075 Q1078N1051-D1053 PolarHBondContact O-N 3.2Å; N1051-H1054 PolarHBondContact N-O 2.92Å; N1051-H1054 WeakPolarHBondContact O-CB 3.41Å; N1051-H1054 PolarHBondContact O-N 2.89Å; N1051-H1054 VanDerWaalsContact O-N 3.11Å; N1051-I1073 HydrophobicContact CB-CD1 4.4Å; N1051-Q1075 PolarHBondContact ND2-O 2.94Å; N1051-Q1075 WeakPolarHBondContact OD1-CB 3.48Å; N1051-Q1075 PolarHBondContact OD1-N 3.4Å; N1051-Q1075 PolarHBondContact OD1-O 2.88Å; N1051-Q1078 PolarHBondContact ND2-O 2.74Å
1052G85.4Confident89.4Confident16 Ų1655.3 Ų55.317%0.16528%0.284CS..THydrogen-bonded Turntrans66.4-125.3-17100000113.3R1050 H1054R1050-G1052 PolarHBondContact NE-O 3.45Å; G1052-H1054 VanDerWaalsContact C-N 3.32Å
1053D84.8Confident89.7Confident160 Ų16056.1 Ų56.186%0.85629%0.289SS*.THydrogen-bonded Turntrans-81.8-13.6175.5-59.3-33.6000112.2N1051N1051-D1053 PolarHBondContact O-N 3.2Å
1054H89Confident90Very high77 Ų7757.3 Ų57.336%0.35630%0.295SS..EExtended strand (participates in β ladder)trans-82127.2177.2-61.4-80.2000110.6R1050 N1051 G1052 Y1071R1050-H1054 WeakPolarHBondContact CA-O 3.26Å; N1051-H1054 PolarHBondContact N-O 2.92Å; N1051-H1054 WeakPolarHBondContact O-CB 3.41Å; N1051-H1054 PolarHBondContact O-N 2.89Å; N1051-H1054 VanDerWaalsContact O-N 3.11Å; G1052-H1054 VanDerWaalsContact C-N 3.32Å; H1054-Y1071 WeakPolarHBondContact CB-OH 3.31Å
1055K90.4Very high89.6Confident154 Ų15453.5 Ų53.567%0.6728%0.277SS*.EExtended strand (participates in β ladder)trans-126.6131.5175.6-175.5-176.6-179.5-177.90109.4T1048 I1049T1048-K1055 HydrophobicContact CG2-CD 4.23Å; T1048-K1055 HydrophobicContact CG2-CG 3.85Å; I1049-K1055 WeakPolarHBondContact O-CA 3.1Å
1056A93.1Very high89.1Confident15 Ų1556.4 Ų56.412%0.12429%0.292CS..EExtended strand (participates in β ladder)trans-127134.2173.600000110T1048 I1049 F1058 Y1071T1048-A1056 WeakPolarHBondContact CA-O 3.46Å; I1049-A1056 PolarHBondContact N-O 3.44Å; I1049-A1056 PolarHBondContact O-N 3.38Å; A1056-F1058 HydrophobicContact CB-CD2 4.42Å; A1056-F1058 HydrophobicContact CB-CE2 3.52Å; A1056-F1058 HydrophobicContact CB-CZ 4Å; A1056-Y1071 HydrophobicContact CB-CD2 3.66Å; A1056-Y1071 HydrophobicContact CB-CE1 4.4Å; A1056-Y1071 HydrophobicContact CB-CE2 3.49Å; A1056-Y1071 VanDerWaalsContact CB-CE2 3.49Å; A1056-Y1071 HydrophobicContact CB-CG 4.21Å
1057L93.4Very high88.6Confident105 Ų10559 Ų5955%0.5531%0.305SS..EExtended strand (participates in β ladder)trans-112.3127.7178.7178.167.4000109A1046 T1048A1046-L1057 HydrophobicContact CB-CD1 4.25Å; T1048-L1057 WeakPolarHBondContact OG1-CD1 3.37Å
1058F93.1Very high88.3Confident27 Ų2760.1 Ų60.112%0.11831%0.311CS..EExtended strand (participates in β ladder)trans-119.4128.4179-63.5-87.8000109.2I756 I1047 I1049 A1056 Q1069 Y1071I756-F1058 HydrophobicContact CD1-CB 3.72Å; I756-F1058 HydrophobicContact CD1-CD1 4.12Å; I756-F1058 HydrophobicContact CD1-CD2 3.29Å; I756-F1058 HydrophobicContact CD1-CE2 3.95Å; I756-F1058 HydrophobicContact CD1-CG 3.41Å; I756-F1058 VanDerWaalsContact CD1-CG 3.41Å; I1047-F1058 PolarHBondContact N-O 3.01Å; I1047-F1058 PolarHBondContact O-N 2.89Å; I1049-F1058 HydrophobicContact CD1-CD2 4.07Å; I1049-F1058 HydrophobicContact CD1-CE2 3.75Å; I1049-F1058 HydrophobicContact CG1-CE2 4.42Å; A1056-F1058 HydrophobicContact CB-CD2 4.42Å; A1056-F1058 HydrophobicContact CB-CE2 3.52Å; A1056-F1058 HydrophobicContact CB-CZ 4Å; F1058-Q1069 HydrophobicContact CD1-CB 3.92Å; F1058-Q1069 HydrophobicContact CE1-CB 4.25Å; F1058-Y1071 HydrophobicContact CE2-CD2 4.41Å; F1058-Y1071 HydrophobicContact CE2-CG 4.28Å; F1058-Y1071 HydrophobicContact CZ-CD2 4.01Å; F1058-Y1071 HydrophobicContact CZ-CG 4.08Å
1059Q92.3Very high88.1Confident87 Ų8760.9 Ų60.941%0.40731%0.313SS..EExtended strand (participates in β ladder)trans-99.9124175-65.7-66.2-17.300108.7N1064 Q1069Q1059-N1064 PolarHBondContact O-ND2 3.01Å; Q1059-Q1069 PolarHBondContact O-NE2 3.46Å
1060V90Very high88Confident0 Ų063.7 Ų63.70%033%0.33CS..EExtended strand (participates in β ladder)trans-116.5112.8177.9-179.30000108.2I756 G758 T1043 N1044 L1045 I1047 N1064I756-V1060 HydrophobicContact CG2-CG2 3.68Å; G758-V1060 VanDerWaalsContact CA-CG1 3.41Å; T1043-V1060 HydrophobicContact CG2-CG1 4.31Å; N1044-V1060 CarbonylContact C-O 3.58Å; N1044-V1060 WeakPolarHBondContact CA-O 3.45Å; L1045-V1060 HydrophobicContact CB-CB 4.32Å; L1045-V1060 PolarHBondContact N-O 3.05Å; L1045-V1060 PolarHBondContact O-N 2.79Å; I1047-V1060 HydrophobicContact CD1-CG2 4.01Å; V1060-N1064 WeakPolarHBondContact CA-OD1 3.45Å
1061N89.4Confident88Confident52 Ų5259 Ų5928%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-130.3176.2179.864.330.7000111.2T1043 D1063 N1064 A1065T1043-N1061 CarbonylContact O-C 3.55Å; T1043-N1061 WeakPolarHBondContact O-CA 3.39Å; N1061-D1063 PolarHBondContact O-N 2.98Å; N1061-D1063 PolarHBondContact OD1-N 2.83Å; N1061-D1063 VanDerWaalsContact OD1-N 3.15Å; N1061-N1064 PolarHBondContact N-OD1 2.77Å; N1061-N1064 CarbonylContact O-C 3.48Å; N1061-N1064 PolarHBondContact O-N 2.84Å; N1061-N1064 PolarHBondContact O-OD1 3.09Å; N1061-N1064 VanDerWaalsContact O-OD1 3.1Å; N1061-N1064 PolarHBondContact OD1-N 3.33Å; N1061-N1064 VanDerWaalsContact OD1-N 3.11Å; N1061-N1064 PolarHBondContact OD1-OD1 2.77Å; N1061-A1065 WeakPolarHBondContact O-CA 3.32Å; N1061-A1065 WeakPolarHBondContact O-CB 3.29Å; N1061-A1065 PolarHBondContact O-N 2.94Å
1062S83.1Confident88Confident41 Ų4163.4 Ų63.429%0.28733%0.333SS..THydrogen-bonded Turntrans-61.1-26.1-177.3-51.30000114.5P1041 T1043P1041-S1062 WeakPolarHBondContact O-CB 3.38Å; P1041-S1062 PolarHBondContact O-OG 2.96Å; T1043-S1062 PolarHBondContact N-OG 2.05Å; T1043-S1062 PolarHBondContact O-N 2.9Å
1063D83.4Confident88.2Confident144 Ų14463.1 Ų63.177%0.7733%0.328SS*.THydrogen-bonded Turntrans-76.9-32.9179.1-60.9-36.5000112.1N1061N1061-D1063 PolarHBondContact O-N 2.98Å; N1061-D1063 PolarHBondContact OD1-N 2.83Å; N1061-D1063 VanDerWaalsContact OD1-N 3.15Å
1064N86.8Confident88.1Confident37 Ų3761 Ų6120%0.19832%0.316CS..THydrogen-bonded Turntrans-110.610.2-177.67611.5000114.2Q1059 V1060 N1061 I1066 V1067Q1059-N1064 PolarHBondContact O-ND2 3.01Å; V1060-N1064 WeakPolarHBondContact CA-OD1 3.45Å; N1061-N1064 PolarHBondContact N-OD1 2.77Å; N1061-N1064 CarbonylContact O-C 3.48Å; N1061-N1064 PolarHBondContact O-N 2.84Å; N1061-N1064 PolarHBondContact O-OD1 3.09Å; N1061-N1064 VanDerWaalsContact O-OD1 3.1Å; N1061-N1064 PolarHBondContact OD1-N 3.33Å; N1061-N1064 VanDerWaalsContact OD1-N 3.11Å; N1061-N1064 PolarHBondContact OD1-OD1 2.77Å; N1064-I1066 PolarHBondContact O-N 2.81Å; N1064-I1066 VanDerWaalsContact O-N 3.11Å; N1064-V1067 HydrophobicContact CB-CB 4.34Å; N1064-V1067 HydrophobicContact CB-CG2 4.31Å; N1064-V1067 WeakPolarHBondContact O-CB 3.06Å; N1064-V1067 PolarHBondContact O-N 3.48Å
1065A80.8Confident87.9Confident19 Ų1960.4 Ų60.416%0.15731%0.314CS..THydrogen-bonded Turntrans-55.7-32.4-175.300000113.8I757 G758 D759 N1061I757-A1065 WeakPolarHBondContact CG1-O 3.4Å; G758-A1065 CarbonylContact C-O 3.34Å; G758-A1065 WeakPolarHBondContact CA-O 3.13Å; G758-A1065 PolarHBondContact N-O 2.74Å; D759-A1065 PolarHBondContact N-O 3.46Å; N1061-A1065 WeakPolarHBondContact O-CA 3.32Å; N1061-A1065 WeakPolarHBondContact O-CB 3.29Å; N1061-A1065 PolarHBondContact O-N 2.94Å
1066I80.3Confident87.6Confident60 Ų6054.2 Ų54.231%0.30829%0.288SS..THydrogen-bonded Turntrans-94.75.9177.960.4169.2000114D759 K801 N1064D759-I1066 HydrophobicContact CB-CG2 4.42Å; K801-I1066 HydrophobicContact CB-CD1 4.39Å; K801-I1066 HydrophobicContact CD-CD1 4.04Å; K801-I1066 HydrophobicContact CG-CD1 4.18Å; N1064-I1066 PolarHBondContact O-N 2.81Å; N1064-I1066 VanDerWaalsContact O-N 3.11Å
1067V82.4Confident87.1Confident80 Ų8060.6 Ų60.649%0.48532%0.315SS..  trans-97.7114.5-179.9-178.10000109.8N1064 Q1069N1064-V1067 HydrophobicContact CB-CB 4.34Å; N1064-V1067 HydrophobicContact CB-CG2 4.31Å; N1064-V1067 WeakPolarHBondContact O-CB 3.06Å; N1064-V1067 PolarHBondContact O-N 3.48Å; V1067-Q1069 PolarHBondContact O-N 3.45Å
1068L85.6Confident86.7Confident23 Ų2359.3 Ų59.312%0.1231%0.306CS..  trans-76.8115.4178.3-171.875.1000110.2T755 I757 K766T755-L1068 HydrophobicContact CG2-CD2 4.23Å; I757-L1068 HydrophobicContact CB-CD1 3.72Å; I757-L1068 HydrophobicContact CD1-CB 3.94Å; I757-L1068 HydrophobicContact CD1-CD1 4.09Å; I757-L1068 HydrophobicContact CG2-CD1 3.9Å; K766-L1068 HydrophobicContact CD-CB 3.38Å; K766-L1068 HydrophobicContact CD-CD2 3.53Å; K766-L1068 HydrophobicContact CD-CG 4.03Å; K766-L1068 PolarHBondContact NZ-O 3.11Å
1069Q90.3Very high86.5Confident41 Ų4163.3 Ų63.319%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-93144.2174-54.917950.100108.8T755 I756 F1058 Q1059 V1067T755-Q1069 CarbonylContact C-O 3.59Å; T755-Q1069 WeakPolarHBondContact CA-O 3.06Å; I756-Q1069 HydrophobicContact CB-CB 4.5Å; I756-Q1069 PolarHBondContact N-O 3.22Å; I756-Q1069 PolarHBondContact O-N 3.21Å; F1058-Q1069 HydrophobicContact CD1-CB 3.92Å; F1058-Q1069 HydrophobicContact CE1-CB 4.25Å; Q1059-Q1069 PolarHBondContact O-NE2 3.46Å; V1067-Q1069 PolarHBondContact O-N 3.45Å
1070T91Very high86.4Confident59 Ų5959.2 Ų59.236%0.36230%0.304SS..EExtended strand (participates in β ladder)trans-135.7137.1-174.7-54.70000110.7E753 V754 T755E753-T1070 HydrophobicContact CB-CG2 4.18Å; E753-T1070 HydrophobicContact CG-CG2 4.49Å; V754-T1070 CarbonylContact O-C 3.51Å; V754-T1070 WeakPolarHBondContact O-CA 3.42Å; T755-T1070 HydrophobicContact CG2-CG2 4.05Å
1071Y92.3Very high86.5Confident41 Ų4161.2 Ų61.216%0.16132%0.315CS..EExtended strand (participates in β ladder)trans-124.1122.5176.5-173.3-114.2000110.3E753 V754 I1049 H1054 A1056 F1058 I1073E753-Y1071 CarbonylContact C-O 3.58Å; E753-Y1071 WeakPolarHBondContact CA-O 3.18Å; E753-Y1071 WeakPolarHBondContact CB-O 3.14Å; V754-Y1071 PolarHBondContact N-O 3.05Å; V754-Y1071 PolarHBondContact O-N 3.31Å; I1049-Y1071 HydrophobicContact CB-CD1 4.49Å; I1049-Y1071 HydrophobicContact CD1-CD1 4.4Å; I1049-Y1071 HydrophobicContact CG2-CD1 3.99Å; I1049-Y1071 HydrophobicContact CG2-CE1 4.19Å; H1054-Y1071 WeakPolarHBondContact CB-OH 3.31Å; A1056-Y1071 HydrophobicContact CB-CD2 3.66Å; A1056-Y1071 HydrophobicContact CB-CE1 4.4Å; A1056-Y1071 HydrophobicContact CB-CE2 3.49Å; A1056-Y1071 VanDerWaalsContact CB-CE2 3.49Å; A1056-Y1071 HydrophobicContact CB-CG 4.21Å; F1058-Y1071 HydrophobicContact CE2-CD2 4.41Å; F1058-Y1071 HydrophobicContact CE2-CG 4.28Å; F1058-Y1071 HydrophobicContact CZ-CD2 4.01Å; F1058-Y1071 HydrophobicContact CZ-CG 4.08Å; Y1071-I1073 HydrophobicContact CD1-CD1 3.76Å; Y1071-I1073 HydrophobicContact CE1-CD1 3.88Å
1072Q91.1Very high86.6Confident93 Ų9359 Ų5944%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-81.2131.8176.3-65.2-64-44.700110.1E753E753-Q1072 PolarHBondContact OE2-NE2 2.8Å
1073I90.1Very high87Confident10 Ų1059 Ų595%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-90.8112.5179-59.8-64.8000108.9A752 V754 I1049 N1051 Y1071 M1076 I1080A752-I1073 HydrophobicContact CB-CB 3.86Å; A752-I1073 HydrophobicContact CB-CG1 4.28Å; A752-I1073 HydrophobicContact CB-CG2 4.31Å; A752-I1073 WeakPolarHBondContact O-CB 3.11Å; A752-I1073 PolarHBondContact O-N 3.5Å; V754-I1073 HydrophobicContact CG2-CD1 3.96Å; V754-I1073 HydrophobicContact CG2-CG1 4.2Å; I1049-I1073 HydrophobicContact CG2-CD1 4.49Å; N1051-I1073 HydrophobicContact CB-CD1 4.4Å; Y1071-I1073 HydrophobicContact CD1-CD1 3.76Å; Y1071-I1073 HydrophobicContact CE1-CD1 3.88Å; I1073-M1076 HydrophobicContact CG2-CG 4.49Å; I1073-I1080 HydrophobicContact CD1-CD1 3.96Å; I1073-I1080 HydrophobicContact CD1-CG1 4.31Å; I1073-I1080 HydrophobicContact CD1-CG2 4.39Å; I1073-I1080 HydrophobicContact CG1-CD1 3.98Å; I1073-I1080 HydrophobicContact CG2-CD1 4.09Å
1074N82.4Confident87.5Confident115 Ų11552.1 Ų52.162%0.61527%0.266SS*.SBendtrans-79.7-32.9-178.9-64.5-29.9000112.7
1075Q84.7Confident87.7Confident66 Ų6656.3 Ų56.331%0.30828%0.284SS..  trans-117.179.9-175.2-63176-26.800110.8N1051 H1077 Q1078N1051-Q1075 PolarHBondContact ND2-O 2.94Å; N1051-Q1075 WeakPolarHBondContact OD1-CB 3.48Å; N1051-Q1075 PolarHBondContact OD1-N 3.4Å; N1051-Q1075 PolarHBondContact OD1-O 2.88Å; Q1075-H1077 PolarHBondContact O-N 2.91Å; Q1075-Q1078 HydrophobicContact CB-CB 4.32Å; Q1075-Q1078 HydrophobicContact CB-CG 4.1Å; Q1075-Q1078 PolarHBondContact O-N 2.83Å; Q1075-Q1078 VanDerWaalsContact O-N 3.1Å
1076M83.6Confident88.1Confident23 Ų2357.4 Ų57.411%0.11330%0.297CS..THydrogen-bonded Turntrans-59.8-27.2-176.8-70.7178.766.900114.2V739 T741 G750 A752 I1073 Q1078 W1096V739-M1076 WeakPolarHBondContact CB-O 3.38Å; V739-M1076 HydrophobicContact CG1-CE 3.64Å; T741-M1076 HydrophobicContact CG2-CE 4.5Å; G750-M1076 VanDerWaalsContact C-SD 3.58Å; A752-M1076 HydrophobicContact CB-CE 4.02Å; A752-M1076 HydrophobicContact CB-CG 3.78Å; A752-M1076 HydrophobicContact CB-SD 4.07Å; I1073-M1076 HydrophobicContact CG2-CG 4.49Å; M1076-Q1078 VanDerWaalsContact C-N 3.28Å; M1076-Q1078 PolarHBondContact O-N 3.47Å; M1076-W1096 HydrophobicContact CE-CB 4.21Å
1077H82.6Confident88.4Confident150 Ų15061.7 Ų61.769%0.69431%0.314SS*.THydrogen-bonded Turntrans-77.3-13.3179.6-54.9-59.7000113.8Q1075Q1075-H1077 PolarHBondContact O-N 2.91Å
1078Q85.7Confident88.4Confident78 Ų7858.1 Ų58.136%0.36429%0.293SS..SBendtrans-92.5152179.3-63.8-164.91600111.4N1051 Q1075 M1076N1051-Q1078 PolarHBondContact ND2-O 2.74Å; Q1075-Q1078 HydrophobicContact CB-CB 4.32Å; Q1075-Q1078 HydrophobicContact CB-CG 4.1Å; Q1075-Q1078 PolarHBondContact O-N 2.83Å; Q1075-Q1078 VanDerWaalsContact O-N 3.1Å; M1076-Q1078 VanDerWaalsContact C-N 3.28Å; M1076-Q1078 PolarHBondContact O-N 3.47Å
1079K88.9Confident88.3Confident111 Ų11158.6 Ų58.648%0.48330%0.3SS..  trans-60.1141175.3-160.1-176.2-166.9-1330110.2S736 D1081S736-K1079 WeakPolarHBondContact OG-CE 3.42Å; S736-K1079 PolarHBondContact OG-NZ 3.1Å; K1079-D1081 IonicContact NZ-OD1 2.93Å; K1079-D1081 PolarHBondContact NZ-OD1 3.41Å
1080I90.3Very high88.2Confident0 Ų056.8 Ų56.80%029%0.293CS..EExtended strand (participates in β ladder)trans-107.8110.2174.8-56.1169.9000106.7S736 S737 V739 V754 I1049 R1050 I1073 I1082 L1094S736-I1080 CarbonylContact C-O 3.41Å; S736-I1080 WeakPolarHBondContact CA-O 3.44Å; S737-I1080 PolarHBondContact N-O 3.46Å; S737-I1080 PolarHBondContact O-N 3.39Å; V739-I1080 HydrophobicContact CG2-CD1 3.82Å; V754-I1080 HydrophobicContact CG2-CG2 4.4Å; I1049-I1080 HydrophobicContact CG2-CG2 3.95Å; R1050-I1080 WeakPolarHBondContact O-CA 3.49Å; I1073-I1080 HydrophobicContact CD1-CD1 3.96Å; I1073-I1080 HydrophobicContact CD1-CG1 4.31Å; I1073-I1080 HydrophobicContact CD1-CG2 4.39Å; I1073-I1080 HydrophobicContact CG1-CD1 3.98Å; I1073-I1080 HydrophobicContact CG2-CD1 4.09Å; I1080-I1082 HydrophobicContact CG2-CG1 4.22Å; I1080-L1094 HydrophobicContact CD1-CD1 3.6Å; I1080-L1094 HydrophobicContact CD1-CD2 3.97Å; I1080-L1094 HydrophobicContact CD1-CG 4.47Å
1081D91Very high88Confident42 Ų4254.2 Ų54.223%0.22528%0.276CS..EExtended strand (participates in β ladder)trans-96.4122.8175.9-60.2-45.7000109S736 I1049 R1050 K1079S736-D1081 WeakPolarHBondContact CB-OD1 3.46Å; S736-D1081 PolarHBondContact OG-OD1 3.05Å; I1049-D1081 WeakPolarHBondContact CA-O 3.28Å; R1050-D1081 HydrophobicContact CB-CB 4.33Å; R1050-D1081 PolarHBondContact N-O 2.82Å; R1050-D1081 PolarHBondContact O-N 2.86Å; K1079-D1081 IonicContact NZ-OD1 2.93Å; K1079-D1081 PolarHBondContact NZ-OD1 3.41Å
1082I91.9Very high87.8Confident7 Ų752.3 Ų52.34%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-112.7116.4177.9-56.1174.2000107I725 S734 Q735 I1047 T1048 I1080 V1092I725-I1082 HydrophobicContact CD1-CG2 4.23Å; S734-I1082 WeakPolarHBondContact CA-O 3.47Å; Q735-I1082 PolarHBondContact N-O 2.77Å; Q735-I1082 PolarHBondContact O-N 3.08Å; Q735-I1082 VanDerWaalsContact O-O 3.13Å; I1047-I1082 HydrophobicContact CG2-CG2 4.2Å; T1048-I1082 WeakPolarHBondContact O-CA 3.05Å; I1080-I1082 HydrophobicContact CG2-CG1 4.22Å; I1082-V1092 HydrophobicContact CD1-CG1 4.01Å; I1082-V1092 HydrophobicContact CG2-CG1 4.36Å
1083S92.7Very high87.7Confident39 Ų3948 Ų4827%0.27325%0.249SC..EExtended strand (participates in β ladder)trans-122.5147.217650.10000110.3F733 I1047 T1048F733-S1083 CarbonylContact O-C 3.59Å; F733-S1083 VanDerWaalsContact O-CA 3.24Å; F733-S1083 WeakPolarHBondContact O-CA 3.43Å; I1047-S1083 CarbonylContact C-O 3.47Å; I1047-S1083 WeakPolarHBondContact CA-O 3.46Å; T1048-S1083 WeakPolarHBondContact CB-OG 3.43Å; T1048-S1083 PolarHBondContact N-O 3.21Å; T1048-S1083 PolarHBondContact O-N 3.31Å; T1048-S1083 PolarHBondContact O-OG 3.42Å
1084A92.4Very high87.7Confident1 Ų147.7 Ų47.71%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-140.3140.4178.800000111.4I725 T732 F733 A1046 I1047I725-A1084 HydrophobicContact CD1-CB 3.9Å; I725-A1084 HydrophobicContact CG2-CB 3.78Å; T732-A1084 CarbonylContact C-O 3.54Å; T732-A1084 WeakPolarHBondContact CA-O 3.19Å; F733-A1084 HydrophobicContact CB-CB 4.4Å; F733-A1084 PolarHBondContact N-O 3.11Å; F733-A1084 PolarHBondContact O-N 3.42Å; A1046-A1084 WeakPolarHBondContact O-CA 3.5Å; I1047-A1084 HydrophobicContact CG1-CB 3.99Å
1085E92.1Very high88.1Confident124 Ų12442.6 Ų42.658%0.57922%0.22SC*.EExtended strand (participates in β ladder)trans-135.1151.5177.5-55-174.6167.400109.3T732 A1046T732-E1085 HydrophobicContact CG2-CG 3.99Å; A1046-E1085 PolarHBondContact N-O 3.13Å; A1046-E1085 PolarHBondContact O-N 3.43Å
1086G89.4Confident88.3Confident42 Ų4239.9 Ų39.943%0.43321%0.207SC..EExtended strand (participates in β ladder)trans119.1-150.2179.500000112.8L727L727-G1086 WeakPolarHBondContact CD1-O 3.42Å
1087K85Confident88.6Confident151 Ų15145.2 Ų45.266%0.65723%0.226SC*.EExtended strand (participates in β ladder)trans-135.4131.2-174.9-173.4179.3179.3-179.30110.9N1044N1044-K1087 CarbonylContact C-O 3.55Å; N1044-K1087 PolarHBondContact N-O 2.84Å; N1044-K1087 PolarHBondContact O-N 2.96Å
1088G84Confident89Confident4 Ų438.2 Ų38.24%0.04119%0.193CC..SBendtrans128.4-164.4177.800000112L727L727-G1088 PolarHBondContact N-O 3.3Å
1089A83.6Confident89.3Confident33 Ų3335.6 Ų35.627%0.27318%0.182SC..EExtended strand (participates in β ladder)trans-125.4148.2175.600000111.1I725 N726 L1045I725-A1089 CarbonylContact O-C 3.58Å; I725-A1089 WeakPolarHBondContact O-CA 3.16Å; N726-A1089 HydrophobicContact CB-CB 4.48Å; L1045-A1089 WeakPolarHBondContact CD1-O 3.11Å
1090A87.2Confident89.3Confident4 Ų430.7 Ų30.73%0.03316%0.161CC..EExtended strand (participates in β ladder)trans-142.7151.8173.200000110.5I725 L1045 I1047I725-A1090 PolarHBondContact N-O 3.44Å; I725-A1090 PolarHBondContact O-N 3.22Å; L1045-A1090 HydrophobicContact CD1-CB 3.58Å; I1047-A1090 HydrophobicContact CD1-CB 3.59Å
1091F86.4Confident89.1Confident5 Ų536.7 Ų36.72%0.02219%0.187CC..EExtended strand (participates in β ladder)trans-106120.9175.3-176.1-111.7000109.7P722 I724 I756 I757 P763 V1009 Q1093P722-F1091 HydrophobicContact CB-CE2 3.62Å; P722-F1091 HydrophobicContact CB-CZ 3.42Å; P722-F1091 VanDerWaalsContact CB-CZ 3.42Å; I724-F1091 HydrophobicContact CG1-CD2 4.19Å; I756-F1091 WeakPolarHBondContact CA-O 3.25Å; I757-F1091 HydrophobicContact CG2-CB 3.94Å; I757-F1091 HydrophobicContact CG2-CD1 3.93Å; I757-F1091 HydrophobicContact CG2-CG 4.44Å; I757-F1091 PolarHBondContact N-O 3.16Å; I757-F1091 PolarHBondContact O-N 2.86Å; P763-F1091 HydrophobicContact CG-CD1 3.62Å; P763-F1091 HydrophobicContact CG-CE1 3.6Å; V1009-F1091 HydrophobicContact CG1-CD2 4.03Å; V1009-F1091 HydrophobicContact CG1-CE2 3.17Å; V1009-F1091 HydrophobicContact CG1-CZ 3.82Å; F1091-Q1093 HydrophobicContact CE1-CB 4.03Å; F1091-Q1093 HydrophobicContact CZ-CB 4.18Å
1092V89.4Confident88.6Confident1 Ų144.4 Ų44.41%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-121.4133.9-179.3-175.20000108.6P722 L723 I725 V754 T755 I756 I1047 I1082P722-V1092 CarbonylContact C-O 3.45Å; L723-V1092 WeakPolarHBondContact CA-O 3.43Å; L723-V1092 WeakPolarHBondContact CB-O 3.37Å; L723-V1092 PolarHBondContact N-O 3.07Å; L723-V1092 PolarHBondContact O-N 3.25Å; L723-V1092 VanDerWaalsContact O-O 3.1Å; I725-V1092 HydrophobicContact CD1-CG2 3.66Å; I725-V1092 HydrophobicContact CG1-CG2 4.28Å; V754-V1092 HydrophobicContact CG1-CG1 3.55Å; T755-V1092 CarbonylContact O-C 3.57Å; T755-V1092 VanDerWaalsContact O-CA 3.32Å; T755-V1092 WeakPolarHBondContact O-CA 3.32Å; I756-V1092 HydrophobicContact CG1-CG1 4.07Å; I756-V1092 HydrophobicContact CG1-CG2 4.15Å; I756-V1092 HydrophobicContact CG2-CG2 4.44Å; I1047-V1092 HydrophobicContact CD1-CG2 4.05Å; I1047-V1092 HydrophobicContact CG2-CG2 4.48Å; I1082-V1092 HydrophobicContact CD1-CG1 4.01Å; I1082-V1092 HydrophobicContact CG2-CG1 4.36Å
1093Q88.6Confident87.8Confident1 Ų145.4 Ų45.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-138.3120-176.7-178.6178.8-35.100111.1S720 P722 V754 T755 N1013 A1014 F1091 N1095S720-Q1093 VanDerWaalsContact OG-CD 3.31Å; S720-Q1093 WeakPolarHBondContact OG-CG 3.45Å; S720-Q1093 PolarHBondContact OG-NE2 3.16Å; P722-Q1093 HydrophobicContact CB-CB 4.36Å; P722-Q1093 HydrophobicContact CB-CG 4.07Å; V754-Q1093 CarbonylContact C-O 3.55Å; V754-Q1093 WeakPolarHBondContact CA-O 3.35Å; T755-Q1093 PolarHBondContact N-O 3Å; T755-Q1093 PolarHBondContact O-N 3.19Å; T755-Q1093 PolarHBondContact OG1-O 3.11Å; N1013-Q1093 PolarHBondContact O-NE2 2.6Å; A1014-Q1093 VanDerWaalsContact CA-NE2 3.26Å; F1091-Q1093 HydrophobicContact CE1-CB 4.03Å; F1091-Q1093 HydrophobicContact CZ-CB 4.18Å; Q1093-N1095 WeakPolarHBondContact CG-OD1 3.47Å; Q1093-N1095 PolarHBondContact NE2-ND2 3.22Å; Q1093-N1095 PolarHBondContact NE2-OD1 3.35Å
1094L90.2Very high86.5Confident4 Ų446.4 Ų46.42%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-87.3112.8172.4173.763.5000109S720 R721 V739 V754 I1080 W1096S720-L1094 CarbonylContact C-O 3.16Å; S720-L1094 WeakPolarHBondContact CA-O 3.16Å; R721-L1094 HydrophobicContact CB-CB 4.36Å; R721-L1094 PolarHBondContact N-O 2.76Å; R721-L1094 PolarHBondContact O-N 3.45Å; V739-L1094 HydrophobicContact CG2-CD2 4.41Å; V754-L1094 HydrophobicContact CG2-CB 4.48Å; V754-L1094 HydrophobicContact CG2-CD1 3.72Å; I1080-L1094 HydrophobicContact CD1-CD1 3.6Å; I1080-L1094 HydrophobicContact CD1-CD2 3.97Å; I1080-L1094 HydrophobicContact CD1-CG 4.47Å; L1094-W1096 HydrophobicContact CD2-CE3 4.49Å; L1094-W1096 HydrophobicContact CD2-CZ3 4.46Å; L1094-W1096 HydrophobicContact CG-CE3 4.12Å; L1094-W1096 HydrophobicContact CG-CZ3 4.36Å
1095N89.5Confident85.2Confident9 Ų951.7 Ų51.75%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-109.1133.7178-65.8-46.2000109.3Y719 S720 A752 E753 Q1093Y719-N1095 WeakPolarHBondContact O-CA 3.18Å; S720-N1095 WeakPolarHBondContact CB-OD1 3.44Å; S720-N1095 PolarHBondContact OG-OD1 2.71Å; A752-N1095 CarbonylContact C-O 3.59Å; A752-N1095 VanDerWaalsContact CA-O 3.27Å; A752-N1095 WeakPolarHBondContact CA-O 3.4Å; E753-N1095 HydrophobicContact CG-CB 3.97Å; E753-N1095 PolarHBondContact N-O 2.7Å; E753-N1095 PolarHBondContact O-N 3.36Å; Q1093-N1095 WeakPolarHBondContact CG-OD1 3.47Å; Q1093-N1095 PolarHBondContact NE2-ND2 3.22Å; Q1093-N1095 PolarHBondContact NE2-OD1 3.35Å
1096W90.6Very high83.8Confident8 Ų847.7 Ų47.73%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-142154.8169.473.1103.9000112Y719 R721 V739 E740 R751 A752 M1076 L1094 Y1098Y719-W1096 VanDerWaalsContact CB-CD2 3.44Å; Y719-W1096 AromaticContact CD1-CE2 3.96Å; Y719-W1096 HydrophobicContact CD1-CH2 4.18Å; Y719-W1096 AromaticContact CD1-CZ2 3.52Å; Y719-W1096 HydrophobicContact CD1-CZ2 3.52Å; Y719-W1096 AromaticContact CD2-CD1 3.8Å; Y719-W1096 HydrophobicContact CD2-CD2 4.38Å; Y719-W1096 AromaticContact CD2-CE2 3.72Å; Y719-W1096 HydrophobicContact CD2-CG 4.43Å; Y719-W1096 HydrophobicContact CD2-CZ2 4.16Å; Y719-W1096 AromaticContact CD2-NE1 3.34Å; Y719-W1096 VanDerWaalsContact CD2-NE1 3.34Å; Y719-W1096 HydrophobicContact CE1-CZ2 4.24Å; Y719-W1096 AromaticContact CE2-NE1 3.85Å; Y719-W1096 HydrophobicContact CG-CD2 4.1Å; Y719-W1096 AromaticContact CG-CE2 3.39Å; Y719-W1096 HydrophobicContact CG-CH2 4.11Å; Y719-W1096 AromaticContact CG-CZ2 3.42Å; Y719-W1096 HydrophobicContact CG-CZ2 3.42Å; Y719-W1096 VanDerWaalsContact CG-CZ2 3.42Å; Y719-W1096 AromaticContact CG-NE1 3.55Å; Y719-W1096 PolarHBondContact N-O 3.01Å; Y719-W1096 PolarHBondContact O-N 2.55Å; R721-W1096 HydrophobicContact CB-CZ3 4.07Å; R721-W1096 HydrophobicContact CG-CH2 3.78Å; R721-W1096 HydrophobicContact CG-CZ3 3.72Å; V739-W1096 HydrophobicContact CG1-CB 4.07Å; V739-W1096 VanDerWaalsContact CG1-CD1 3.44Å; V739-W1096 HydrophobicContact CG1-CD2 3.97Å; V739-W1096 HydrophobicContact CG1-CG 3.58Å; E740-W1096 PolarHBondContact O-NE1 3.11Å; R751-W1096 CarbonylContact O-C 3.48Å; R751-W1096 WeakPolarHBondContact O-CA 3.38Å; R751-W1096 WeakPolarHBondContact O-CB 3.47Å; A752-W1096 HydrophobicContact CB-CB 3.73Å; M1076-W1096 HydrophobicContact CE-CB 4.21Å; L1094-W1096 HydrophobicContact CD2-CE3 4.49Å; L1094-W1096 HydrophobicContact CD2-CZ3 4.46Å; L1094-W1096 HydrophobicContact CG-CE3 4.12Å; L1094-W1096 HydrophobicContact CG-CZ3 4.36Å; W1096-Y1098 AromaticContact CD1-CE1 3.96Å; W1096-Y1098 AromaticContact NE1-CE1 3.95Å
1097R89.8Confident82.8Confident136 Ų13653.7 Ų53.751%0.51325%0.249SC..EExtended strand (participates in β ladder)trans-148151.8-179.464.1176.8179.8136.5-4.1110.7V717 F718 G750 R751V717-R1097 VanDerWaalsContact O-CA 3.23Å; V717-R1097 WeakPolarHBondContact O-CA 3.34Å; V717-R1097 WeakPolarHBondContact O-CB 3.31Å; F718-R1097 HydrophobicContact CD1-CB 3.47Å; F718-R1097 VanDerWaalsContact CD1-CB 3.47Å; F718-R1097 HydrophobicContact CD1-CG 4.3Å; F718-R1097 HydrophobicContact CE1-CB 3.89Å; F718-R1097 VanDerWaalsContact CE1-CD 3.48Å; F718-R1097 HydrophobicContact CE1-CG 4.35Å; F718-R1097 HydrophobicContact CG-CB 4.27Å; G750-R1097 CarbonylContact C-O 3.6Å; G750-R1097 WeakPolarHBondContact CA-O 3.2Å; R751-R1097 HydrophobicContact CB-CG 4.07Å; R751-R1097 PolarHBondContact N-O 3.37Å; R751-R1097 PolarHBondContact O-N 2.93Å
1098Y90.5Very high82.7Confident3 Ų346.5 Ų46.51%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-159.6170.9174.256-91.3000109.2V717 Y719 S742 M745 W1096 V1100V717-Y1098 HydrophobicContact CG2-CD1 4.08Å; V717-Y1098 HydrophobicContact CG2-CD2 3.52Å; V717-Y1098 HydrophobicContact CG2-CE1 3.96Å; V717-Y1098 HydrophobicContact CG2-CE2 3.41Å; V717-Y1098 VanDerWaalsContact CG2-CE2 3.41Å; V717-Y1098 HydrophobicContact CG2-CG 3.88Å; V717-Y1098 VanDerWaalsContact CG2-O 3.27Å; V717-Y1098 WeakPolarHBondContact CG2-O 3.46Å; V717-Y1098 PolarHBondContact N-O 2.75Å; V717-Y1098 PolarHBondContact O-N 2.82Å; V717-Y1098 VanDerWaalsContact O-N 3.13Å; Y719-Y1098 AromaticContact CD2-CE1 3.97Å; Y719-Y1098 HydrophobicContact CD2-CE1 3.97Å; Y719-Y1098 HydrophobicContact CE2-CD1 4.21Å; Y719-Y1098 AromaticContact CE2-CE1 3.29Å; Y719-Y1098 HydrophobicContact CE2-CE1 3.29Å; Y719-Y1098 AromaticContact CE2-CZ 3.63Å; Y719-Y1098 PolarHBondContact OH-OH 3.28Å; S742-Y1098 PolarHBondContact N-OH 2.94Å; S742-Y1098 VanDerWaalsContact N-OH 3.12Å; M745-Y1098 HydrophobicContact CB-CD2 3.89Å; M745-Y1098 HydrophobicContact CB-CE2 4.14Å; M745-Y1098 HydrophobicContact CG-CD2 3.56Å; M745-Y1098 HydrophobicContact CG-CE2 4.26Å; M745-Y1098 HydrophobicContact CG-CG 3.87Å; M745-Y1098 HydrophobicContact SD-CD1 4.27Å; M745-Y1098 HydrophobicContact SD-CD2 4.02Å; M745-Y1098 HydrophobicContact SD-CG 3.78Å; W1096-Y1098 AromaticContact CD1-CE1 3.96Å; W1096-Y1098 AromaticContact NE1-CE1 3.95Å; Y1098-V1100 HydrophobicContact CD2-CG1 3.86Å; Y1098-V1100 HydrophobicContact CE2-CG1 3.48Å; Y1098-V1100 VanDerWaalsContact CE2-CG1 3.48Å
1099N91.4Very high83Confident23 Ų2346.5 Ų46.512%0.12322%0.216CC..EExtended strand (participates in β ladder)trans-102.2146.7173-71.528.8000110.2A712 E713 G714 F715 M745 V746 S749A712-N1099 HydrophobicContact CB-CB 4.23Å; A712-N1099 PolarHBondContact O-ND2 3.17Å; A712-N1099 VanDerWaalsContact O-ND2 3.09Å; E713-N1099 WeakPolarHBondContact O-CB 3.25Å; E713-N1099 PolarHBondContact O-ND2 3.49Å; G714-N1099 PolarHBondContact O-ND2 3.03Å; F715-N1099 CarbonylContact O-C 3.56Å; F715-N1099 WeakPolarHBondContact O-CA 3.43Å; M745-N1099 CarbonylContact C-O 3.53Å; M745-N1099 WeakPolarHBondContact CA-O 3.32Å; V746-N1099 HydrophobicContact CB-CB 4.04Å; V746-N1099 WeakPolarHBondContact CB-O 3.46Å; V746-N1099 HydrophobicContact CG2-CB 4.05Å; V746-N1099 PolarHBondContact N-O 2.87Å; S749-N1099 PolarHBondContact OG-N 3.11Å
1100V89.9Confident83.2Confident7 Ų747.2 Ų47.24%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-114.9145.8172.5-66.10000110.8G714 F715 V717 D744 Y1098 R1102 L1103G714-V1100 CarbonylContact C-O 3.5Å; G714-V1100 VanDerWaalsContact CA-O 3.31Å; G714-V1100 WeakPolarHBondContact CA-O 3.23Å; F715-V1100 HydrophobicContact CB-CG2 4.27Å; F715-V1100 PolarHBondContact N-O 2.81Å; F715-V1100 PolarHBondContact O-N 3.01Å; V717-V1100 HydrophobicContact CG1-CG1 4.45Å; V717-V1100 HydrophobicContact CG1-CG2 3.95Å; V717-V1100 HydrophobicContact CG2-CG1 4.2Å; D744-V1100 WeakPolarHBondContact O-CA 3.38Å; Y1098-V1100 HydrophobicContact CD2-CG1 3.86Å; Y1098-V1100 HydrophobicContact CE2-CG1 3.48Å; Y1098-V1100 VanDerWaalsContact CE2-CG1 3.48Å; V1100-R1102 VanDerWaalsContact C-N 3.34Å; V1100-R1102 PolarHBondContact O-N 2.83Å; V1100-L1103 HydrophobicContact CG2-CD2 3.49Å; V1100-L1103 VanDerWaalsContact CG2-CD2 3.49Å; V1100-L1103 HydrophobicContact CG2-CG 3.84Å
1101K86Confident83.4Confident126 Ų12647.8 Ų47.855%0.54822%0.219SC..SBendtrans-67.9-33.5-177.7-66.9176.6-175.1169.80113.1D744 V746D744-K1101 PolarHBondContact O-N 3.35Å; D744-K1101 VanDerWaalsContact O-N 3.11Å; V746-K1101 HydrophobicContact CG2-CG 3.83Å
1102R79.3Confident83.7Confident204 Ų20453.7 Ų53.777%0.7725%0.247SC*.  trans-140.8144.4-178.5-65.7-178.6-179.4173.90.4109.2V1100V1100-R1102 VanDerWaalsContact C-N 3.34Å; V1100-R1102 PolarHBondContact O-N 2.83Å
1103L75.2Confident83.8Confident29 Ų2957.4 Ų57.415%0.15226%0.264CS..  trans-111149168.6-75.9175.2000109.9F715 V717 W973 V1100 E1223F715-L1103 HydrophobicContact CB-CD1 3.45Å; F715-L1103 VanDerWaalsContact CB-CD1 3.45Å; F715-L1103 HydrophobicContact CB-CG 3.9Å; F715-L1103 HydrophobicContact CD1-CD1 4.13Å; F715-L1103 HydrophobicContact CD2-CD1 4.27Å; F715-L1103 HydrophobicContact CD2-CG 4.16Å; F715-L1103 HydrophobicContact CG-CD1 3.69Å; F715-L1103 HydrophobicContact CG-CG 4.07Å; V717-L1103 HydrophobicContact CG1-CD2 4.23Å; W973-L1103 HydrophobicContact CH2-CD1 4.27Å; W973-L1103 HydrophobicContact CH2-CD2 4.24Å; W973-L1103 HydrophobicContact CZ2-CD1 4.08Å; W973-L1103 HydrophobicContact CZ2-CD2 3.39Å; W973-L1103 HydrophobicContact CZ2-CG 4.38Å; V1100-L1103 HydrophobicContact CG2-CD2 3.49Å; V1100-L1103 VanDerWaalsContact CG2-CD2 3.49Å; V1100-L1103 HydrophobicContact CG2-CG 3.84Å; L1103-E1223 HydrophobicContact CD1-CB 3.96Å; L1103-E1223 HydrophobicContact CD1-CG 4.15Å; L1103-E1223 WeakPolarHBondContact CD1-OE2 3.2Å
1104P65.7Low84Confident60 Ų6064.2 Ų64.239%0.3929%0.293SS..  trans-61140.5170.6-12.625.5000110M971 N1106M971-P1104 HydrophobicContact CE-CB 3.76Å; M971-P1104 HydrophobicContact CE-CG 4.06Å; P1104-N1106 PolarHBondContact O-N 3.12Å
1105N65.4Low84.1Confident111 Ų11166 Ų6659%0.59430%0.304SS*.  trans-87.8104.5-177.3-157.6-3.1000109.8K1107 I1222N1105-K1107 PolarHBondContact O-N 3.15Å; N1105-I1222 WeakPolarHBondContact OD1-CD1 3.36Å; N1105-I1222 WeakPolarHBondContact OD1-CG1 3.26Å
1106N62.4Low84.1Confident41 Ų4168 Ų6822%0.21932%0.316CS..  trans-94.4103.7-172.9-73.32.6000111.1M971 P1104 P1108 R1221M971-N1106 WeakPolarHBondContact CE-ND2 3.15Å; M971-N1106 WeakPolarHBondContact CE-OD1 3.43Å; M971-N1106 PolarHBondContact SD-ND2 3.47Å; P1104-N1106 PolarHBondContact O-N 3.12Å; N1106-P1108 VanDerWaalsContact O-N 3.15Å; N1106-R1221 CarbonylContact C-O 3.55Å; N1106-R1221 WeakPolarHBondContact CB-O 3.34Å; N1106-R1221 CarbonylContact O-C 3.59Å
1107K68.6Low83.9Confident168 Ų16868.2 Ų68.273%0.7332%0.318SS*.THydrogen-bonded Turntrans-45.3127160.4-65.4179.1-178.7177.30107.6N1105N1105-K1107 PolarHBondContact O-N 3.15Å
1108P83.9Confident83.3Confident0 Ų070.8 Ų70.80%033%0.328CS..THydrogen-bonded Turn-119.9-0.150.640.8-37.4000117.2N1106 Y1131 N1132 L1133 K1220N1106-P1108 VanDerWaalsContact O-N 3.15Å; P1108-Y1131 HydrophobicContact CB-CD2 3.94Å; P1108-Y1131 HydrophobicContact CB-CE2 3.47Å; P1108-Y1131 VanDerWaalsContact CB-CE2 3.47Å; P1108-Y1131 HydrophobicContact CG-CD2 3.88Å; P1108-Y1131 HydrophobicContact CG-CE2 3.2Å; P1108-N1132 WeakPolarHBondContact O-CA 3.32Å; P1108-N1132 WeakPolarHBondContact O-CB 3.38Å; P1108-N1132 PolarHBondContact O-N 2.93Å; P1108-L1133 HydrophobicContact CB-CB 4.19Å; P1108-L1133 HydrophobicContact CB-CD1 3.48Å; P1108-L1133 VanDerWaalsContact CB-CD1 3.48Å; P1108-L1133 HydrophobicContact CB-CG 3.48Å; P1108-L1133 VanDerWaalsContact CB-CG 3.48Å; P1108-L1133 HydrophobicContact CG-CD1 4.3Å; P1108-K1220 HydrophobicContact CG-CB 3.9Å; P1108-K1220 HydrophobicContact CG-CD 4.02Å; P1108-K1220 HydrophobicContact CG-CG 3.99Å
1109F89.2Confident82.6Confident3 Ų372.7 Ų72.71%0.01334%0.344CS..EExtended strand (participates in β ladder)trans-89145.8-177.1-65.3-73.7000112.5Y1131 A1140 L1185 L1212 D1214 K1220 I1222F1109-Y1131 AromaticContact CD1-CD2 4Å; F1109-Y1131 HydrophobicContact CD1-CD2 4Å; F1109-Y1131 AromaticContact CE1-CD2 3.66Å; F1109-Y1131 HydrophobicContact CE1-CD2 3.66Å; F1109-Y1131 HydrophobicContact CE1-CE2 4.33Å; F1109-Y1131 HydrophobicContact CZ-CD2 4.1Å; F1109-Y1131 HydrophobicContact CZ-CE2 4.32Å; F1109-A1140 HydrophobicContact CE1-CB 4.17Å; F1109-A1140 HydrophobicContact CZ-CB 4.19Å; F1109-L1185 HydrophobicContact CD1-CD1 3.77Å; F1109-L1185 HydrophobicContact CE1-CB 4.31Å; F1109-L1185 HydrophobicContact CE1-CD1 3.67Å; F1109-L1212 HydrophobicContact CB-CD2 3.82Å; F1109-L1212 HydrophobicContact CB-CG 4.37Å; F1109-L1212 HydrophobicContact CD1-CD2 3.75Å; F1109-L1212 HydrophobicContact CD1-CG 4.24Å; F1109-L1212 HydrophobicContact CG-CD2 3.83Å; F1109-L1212 HydrophobicContact CG-CG 4.12Å; F1109-D1214 HydrophobicContact CE2-CB 3.96Å; F1109-D1214 HydrophobicContact CZ-CB 3.97Å; F1109-K1220 HydrophobicContact CE2-CB 4.16Å; F1109-K1220 WeakPolarHBondContact CE2-O 3.3Å; F1109-I1222 HydrophobicContact CB-CB 4.26Å; F1109-I1222 HydrophobicContact CB-CG2 3.61Å
1110I88.8Confident81.8Confident48 Ų4874.4 Ų74.425%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-128.7125.3169.2-66.8174.6000107.5C1129 R1130 N1132I1110-C1129 CarbonylContact O-C 3.56Å; I1110-C1129 WeakPolarHBondContact O-CA 3.46Å; I1110-R1130 HydrophobicContact CB-CG 4.14Å; I1110-R1130 VanDerWaalsContact CD1-NH2 3.27Å; I1110-R1130 PolarHBondContact N-O 2.83Å; I1110-R1130 PolarHBondContact O-N 2.9Å; I1110-N1132 HydrophobicContact CD1-CB 3.69Å; I1110-N1132 VanDerWaalsContact CD1-CG 3.41Å; I1110-N1132 VanDerWaalsContact CD1-OD1 3.27Å; I1110-N1132 WeakPolarHBondContact CD1-OD1 3.44Å; I1110-N1132 HydrophobicContact CG1-CB 4Å
1111C90.3Very high81.4Confident16 Ų1678.5 Ų78.511%0.10838%0.378CS..EExtended strand (participates in β ladder)trans-125.8118.8172.7-72.50000109.7C1128 C1129 L1212 F1224C1111-C1128 CarbonylContact C-O 3.53Å; C1111-C1128 WeakPolarHBondContact CA-O 3.22Å; C1111-C1129 HydrophobicContact CB-CB 4.23Å; C1111-C1129 WeakPolarHBondContact CB-SG 3.35Å; C1111-C1129 WeakPolarHBondContact SG-CB 3.18Å; C1111-C1129 CovalentContact SG-SG 2.05Å; C1111-C1129 PolarHBondContact SG-SG 2.78Å; C1111-L1212 WeakPolarHBondContact SG-CD2 3.32Å; C1111-F1224 HydrophobicContact CB-CE1 3.71Å; C1111-F1224 HydrophobicContact CB-CE2 4.49Å; C1111-F1224 HydrophobicContact CB-CZ 3.52Å
1112E92.2Very high81.5Confident130 Ų13075.7 Ų75.761%0.60737%0.367SS*.EExtended strand (participates in β ladder)trans-90.1138.3171.5-66.5175.5-167.600109.3L1127 C1128E1112-L1127 WeakPolarHBondContact O-CA 3.49Å; E1112-C1128 HydrophobicContact CB-CB 4.39Å; E1112-C1128 PolarHBondContact N-O 3.08Å; E1112-C1128 PolarHBondContact O-N 3.44Å
1113Q91.9Very high82Confident78 Ų7866 Ų6636%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-122.4141.8-17969.7178.48.600111.7L1125 S1126 L1127 F1224 D1225Q1113-L1125 HydrophobicContact CB-CD1 4.21Å; Q1113-S1126 CarbonylContact C-O 3.54Å; Q1113-S1126 WeakPolarHBondContact CA-O 3.01Å; Q1113-L1127 HydrophobicContact CB-CD2 3.66Å; Q1113-F1224 HydrophobicContact CB-CE2 4.37Å; Q1113-D1225 PolarHBondContact NE2-O 3.42Å
1114K93.4Very high82.8Confident144 Ų14466.2 Ų66.263%0.62633%0.332SS*.EExtended strand (participates in β ladder)trans-135.4117.5172-176.8179.4-179177.40109.5V1116 S1126K1114-V1116 HydrophobicContact CD-CG2 4.49Å; K1114-V1116 HydrophobicContact CG-CG2 4.22Å; K1114-S1126 PolarHBondContact N-O 3.18Å; K1114-S1126 PolarHBondContact O-N 2.85Å
1115V92.7Very high84.2Confident41 Ų4163.5 Ų63.525%0.24831%0.314CS..EExtended strand (participates in β ladder)trans-91.6118178-175.10000109.2L1123 L1125 Y1226V1115-L1123 HydrophobicContact CG1-CD1 3.5Å; V1115-L1123 VanDerWaalsContact CG1-CD1 3.5Å; V1115-L1125 HydrophobicContact CG2-CD1 4Å; V1115-Y1226 HydrophobicContact CG2-CD2 3.95Å
1116V88.8Confident85.5Confident51 Ų5159.5 Ų59.531%0.30930%0.295SS..EExtended strand (participates in β ladder)trans-114.3114.6176.8-178.40000108.6K1114 I1124K1114-V1116 HydrophobicContact CD-CG2 4.49Å; K1114-V1116 HydrophobicContact CG-CG2 4.22Å; V1116-I1124 HydrophobicContact CB-CB 4.34Å; V1116-I1124 PolarHBondContact N-O 3.34Å; V1116-I1124 PolarHBondContact O-N 2.81Å
1117Q85.5Confident87Confident13 Ų1357.6 Ų57.66%0.06128%0.284CS..  trans-126.197.2-179.6-163.9172.54.600109.2A1119 P1120 E1122 L1123 S1229 K1230Q1117-A1119 WeakPolarHBondContact CG-O 3.38Å; Q1117-P1120 PolarHBondContact NE2-O 3.07Å; Q1117-E1122 VanDerWaalsContact CG-O 3.26Å; Q1117-E1122 WeakPolarHBondContact CG-O 3.36Å; Q1117-L1123 HydrophobicContact CB-CD1 4.35Å; Q1117-L1123 HydrophobicContact CG-CD1 4.37Å; Q1117-S1229 VanDerWaalsContact CB-OG 3.29Å; Q1117-S1229 WeakPolarHBondContact CB-OG 3.32Å; Q1117-S1229 PolarHBondContact OE1-OG 2.9Å; Q1117-K1230 HydrophobicContact CG-CB 4.45Å; Q1117-K1230 PolarHBondContact NE2-O 2.96Å; Q1117-K1230 WeakPolarHBondContact O-CE 3.33Å; Q1117-K1230 PolarHBondContact O-NZ 3.16Å; Q1117-K1230 PolarHBondContact OE1-O 2.98Å
1118R77.9Confident88.2Confident190 Ų19050.9 Ų50.972%0.71726%0.258SS*.SBendtrans-72-50.9-178.8-69.7179.4178.2176.1-0.3110.1K1230R1118-K1230 PolarHBondContact O-NZ 2.82Å
1119A76.8Confident88.6Confident43 Ų4350.9 Ų50.936%0.35526%0.258SS..SBendtrans-116.9157.4174.300000110.9Q1117 N1121 E1122Q1117-A1119 WeakPolarHBondContact CG-O 3.38Å; A1119-N1121 PolarHBondContact O-N 2.76Å; A1119-N1121 VanDerWaalsContact O-N 3.08Å; A1119-E1122 PolarHBondContact O-N 2.86Å
1120P74.1Confident88.7Confident60 Ų6053.9 Ų53.939%0.3927%0.269SS..THydrogen-bonded Turntrans-53.1-31.1176.5-2634.6000113.5Q1117 V1232Q1117-P1120 PolarHBondContact NE2-O 3.07Å; P1120-V1232 HydrophobicContact CB-CG2 4.23Å
1121N81.8Confident88.8Confident92 Ų9252.5 Ų52.549%0.49226%0.261SS..THydrogen-bonded Turntrans-90.3-5-173.4-55.36000114.2A1119 Q1197 L1198A1119-N1121 PolarHBondContact O-N 2.76Å; A1119-N1121 VanDerWaalsContact O-N 3.08Å; N1121-Q1197 CarbonylContact O-C 3.53Å; N1121-Q1197 WeakPolarHBondContact O-CA 3.46Å; N1121-L1198 HydrophobicContact CB-CB 4.17Å; N1121-L1198 PolarHBondContact O-N 2.87Å
1122E86.8Confident88.5Confident68 Ų6854.7 Ų54.732%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-128.1119.2-174.8-176-168.8-172.500110.2Q1117 A1119Q1117-E1122 VanDerWaalsContact CG-O 3.26Å; Q1117-E1122 WeakPolarHBondContact CG-O 3.36Å; A1119-E1122 PolarHBondContact O-N 2.86Å
1123L90.4Very high87.8Confident1 Ų152.5 Ų52.51%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-120.9119.1-177.4-176.469.4000109.9V1115 Q1117 P1147 F1150 S1196 Y1226 V1228V1115-L1123 HydrophobicContact CG1-CD1 3.5Å; V1115-L1123 VanDerWaalsContact CG1-CD1 3.5Å; Q1117-L1123 HydrophobicContact CB-CD1 4.35Å; Q1117-L1123 HydrophobicContact CG-CD1 4.37Å; L1123-P1147 HydrophobicContact CD2-CG 3.89Å; L1123-F1150 HydrophobicContact CB-CD1 3.77Å; L1123-F1150 HydrophobicContact CB-CE1 3.56Å; L1123-F1150 HydrophobicContact CB-CZ 4.33Å; L1123-F1150 HydrophobicContact CD2-CD1 4.14Å; L1123-F1150 HydrophobicContact CD2-CE1 4.31Å; L1123-F1150 HydrophobicContact CD2-CG 4.29Å; L1123-S1196 PolarHBondContact N-O 3Å; L1123-S1196 PolarHBondContact O-N 3.35Å; L1123-Y1226 HydrophobicContact CD2-CE2 4.06Å; L1123-V1228 HydrophobicContact CD1-CG1 4.49Å; L1123-V1228 HydrophobicContact CD2-CG1 4.3Å
1124I92.8Very high86.8Confident33 Ų3352.3 Ų52.317%0.16928%0.283CS..EExtended strand (participates in β ladder)trans-112.6117.6174.1-58.1172.1000108.1V1116 N1193V1116-I1124 HydrophobicContact CB-CB 4.34Å; V1116-I1124 PolarHBondContact N-O 3.34Å; V1116-I1124 PolarHBondContact O-N 2.81Å; I1124-N1193 HydrophobicContact CG2-CB 4.08Å
1125L93.9Very high86Confident2 Ų247.9 Ų47.91%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-101.1114.8173.6178.162.1000109.3Q1113 V1115 L1127 M1144 N1193 V1194 I1210 Y1226Q1113-L1125 HydrophobicContact CB-CD1 4.21Å; V1115-L1125 HydrophobicContact CG2-CD1 4Å; L1125-L1127 HydrophobicContact CD1-CD2 4.26Å; L1125-L1127 HydrophobicContact CD2-CD1 4.17Å; L1125-L1127 HydrophobicContact CD2-CD2 4.29Å; L1125-L1127 HydrophobicContact CD2-CG 4.19Å; L1125-L1127 HydrophobicContact CG-CD1 4.47Å; L1125-L1127 HydrophobicContact CG-CD2 4.23Å; L1125-L1127 HydrophobicContact CG-CG 4.02Å; L1125-M1144 HydrophobicContact CD2-CG 4.12Å; L1125-M1144 HydrophobicContact CD2-SD 3.53Å; L1125-M1144 VanDerWaalsContact CD2-SD 3.53Å; L1125-N1193 CarbonylContact O-C 3.59Å; L1125-N1193 WeakPolarHBondContact O-CA 3.46Å; L1125-V1194 PolarHBondContact N-O 2.94Å; L1125-V1194 PolarHBondContact O-N 2.96Å; L1125-I1210 HydrophobicContact CD2-CD1 3.62Å; L1125-Y1226 HydrophobicContact CB-CE2 4.46Å; L1125-Y1226 HydrophobicContact CD1-CD2 4.18Å; L1125-Y1226 HydrophobicContact CD1-CE2 4.42Å; L1125-Y1226 HydrophobicContact CD1-CG 4.47Å; L1125-Y1226 HydrophobicContact CD2-CD1 4.15Å; L1125-Y1226 HydrophobicContact CD2-CD2 4.21Å; L1125-Y1226 HydrophobicContact CD2-CE1 3.8Å; L1125-Y1226 HydrophobicContact CD2-CE2 3.85Å; L1125-Y1226 HydrophobicContact CD2-CG 4.33Å; L1125-Y1226 HydrophobicContact CG-CE2 4.48Å
1126S93.9Very high85.4Confident28 Ų2852.8 Ų52.820%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-93.4124171.5177.80000108.7Q1113 K1114 F1192 N1193Q1113-S1126 CarbonylContact C-O 3.54Å; Q1113-S1126 WeakPolarHBondContact CA-O 3.01Å; K1114-S1126 PolarHBondContact N-O 3.18Å; K1114-S1126 PolarHBondContact O-N 2.85Å; S1126-F1192 WeakPolarHBondContact CA-O 3.49Å; S1126-N1193 WeakPolarHBondContact CA-OD1 3.35Å; S1126-N1193 VanDerWaalsContact CB-OD1 3.24Å; S1126-N1193 WeakPolarHBondContact CB-OD1 3.31Å; S1126-N1193 PolarHBondContact OG-OD1 3.15Å
1127L94Very high84.9Confident0 Ų050.7 Ų50.70%028%0.283CS..EExtended strand (participates in β ladder)trans-119138.4176.5-68.2172.6000110E1112 Q1113 L1125 L1142 M1144 C1191 F1192 I1210 F1224E1112-L1127 WeakPolarHBondContact O-CA 3.49Å; Q1113-L1127 HydrophobicContact CB-CD2 3.66Å; L1125-L1127 HydrophobicContact CD1-CD2 4.26Å; L1125-L1127 HydrophobicContact CD2-CD1 4.17Å; L1125-L1127 HydrophobicContact CD2-CD2 4.29Å; L1125-L1127 HydrophobicContact CD2-CG 4.19Å; L1125-L1127 HydrophobicContact CG-CD1 4.47Å; L1125-L1127 HydrophobicContact CG-CD2 4.23Å; L1125-L1127 HydrophobicContact CG-CG 4.02Å; L1127-L1142 HydrophobicContact CD1-CD2 3.59Å; L1127-M1144 HydrophobicContact CD1-SD 4.22Å; L1127-C1191 CarbonylContact O-C 3.57Å; L1127-C1191 WeakPolarHBondContact O-CA 3.48Å; L1127-F1192 HydrophobicContact CB-CE1 4.47Å; L1127-F1192 HydrophobicContact CB-CE2 4.23Å; L1127-F1192 HydrophobicContact CB-CZ 4.05Å; L1127-F1192 HydrophobicContact CD1-CE2 4.22Å; L1127-F1192 HydrophobicContact CD1-CZ 4.28Å; L1127-F1192 PolarHBondContact N-O 3.13Å; L1127-F1192 PolarHBondContact O-N 3.34Å; L1127-I1210 HydrophobicContact CD1-CD1 4.41Å; L1127-I1210 HydrophobicContact CD2-CD1 4.17Å; L1127-F1224 HydrophobicContact CD2-CE2 4.16Å; L1127-F1224 HydrophobicContact CD2-CZ 4.27Å
1128C93.2Very high84.4Confident27 Ų2753 Ų5318%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-128104.8173.1-720000108.9C1111 E1112 P1189 I1190 C1191C1111-C1128 CarbonylContact C-O 3.53Å; C1111-C1128 WeakPolarHBondContact CA-O 3.22Å; E1112-C1128 HydrophobicContact CB-CB 4.39Å; E1112-C1128 PolarHBondContact N-O 3.08Å; E1112-C1128 PolarHBondContact O-N 3.44Å; C1128-P1189 HydrophobicContact CB-CB 4.37Å; C1128-I1190 WeakPolarHBondContact CA-O 3.29Å; C1128-C1191 HydrophobicContact CB-CB 4.21Å; C1128-C1191 WeakPolarHBondContact CB-SG 3.35Å; C1128-C1191 WeakPolarHBondContact SG-CB 3.24Å; C1128-C1191 CovalentContact SG-SG 2.04Å; C1128-C1191 PolarHBondContact SG-SG 2.86Å
1129C93.1Very high84.2Confident0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-111.6137.9-174.1-68.40000111.7I1110 C1111 L1185 P1189 I1190 L1212I1110-C1129 CarbonylContact O-C 3.56Å; I1110-C1129 WeakPolarHBondContact O-CA 3.46Å; C1111-C1129 HydrophobicContact CB-CB 4.23Å; C1111-C1129 WeakPolarHBondContact CB-SG 3.35Å; C1111-C1129 WeakPolarHBondContact SG-CB 3.18Å; C1111-C1129 CovalentContact SG-SG 2.05Å; C1111-C1129 PolarHBondContact SG-SG 2.78Å; C1129-L1185 HydrophobicContact CB-CD2 4.45Å; C1129-P1189 WeakPolarHBondContact O-CA 3.26Å; C1129-I1190 PolarHBondContact N-O 2.75Å; C1129-I1190 PolarHBondContact O-N 3Å; C1129-L1212 HydrophobicContact CB-CD2 4.07Å
1130R90.7Very high84.6Confident67 Ų6741.9 Ų41.925%0.25325%0.245SC..EExtended strand (participates in β ladder)trans-142.6159.2177.364.7-177.8178.782.6-0.9112.7I1110 N1132 S1187 P1189I1110-R1130 HydrophobicContact CB-CG 4.14Å; I1110-R1130 VanDerWaalsContact CD1-NH2 3.27Å; I1110-R1130 PolarHBondContact N-O 2.83Å; I1110-R1130 PolarHBondContact O-N 2.9Å; R1130-N1132 PolarHBondContact NH1-OD1 2.99Å; R1130-S1187 WeakPolarHBondContact CD-O 3.4Å; R1130-P1189 HydrophobicContact CB-CB 4.2Å
1131Y90.2Very high85.2Confident19 Ų1939 Ų398%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-90.4121.4170.3-168.3-115.7000109.8P1108 F1109 L1133 L1185 N1186 S1187P1108-Y1131 HydrophobicContact CB-CD2 3.94Å; P1108-Y1131 HydrophobicContact CB-CE2 3.47Å; P1108-Y1131 VanDerWaalsContact CB-CE2 3.47Å; P1108-Y1131 HydrophobicContact CG-CD2 3.88Å; P1108-Y1131 HydrophobicContact CG-CE2 3.2Å; F1109-Y1131 AromaticContact CD1-CD2 4Å; F1109-Y1131 HydrophobicContact CD1-CD2 4Å; F1109-Y1131 AromaticContact CE1-CD2 3.66Å; F1109-Y1131 HydrophobicContact CE1-CD2 3.66Å; F1109-Y1131 HydrophobicContact CE1-CE2 4.33Å; F1109-Y1131 HydrophobicContact CZ-CD2 4.1Å; F1109-Y1131 HydrophobicContact CZ-CE2 4.32Å; Y1131-L1133 HydrophobicContact CD1-CB 4.28Å; Y1131-L1133 WeakPolarHBondContact CD1-O 3.48Å; Y1131-L1133 HydrophobicContact CE1-CB 3.62Å; Y1131-L1133 WeakPolarHBondContact CE1-O 3.44Å; Y1131-L1185 WeakPolarHBondContact CB-O 3.27Å; Y1131-N1186 PolarHBondContact N-O 3.24Å; Y1131-S1187 WeakPolarHBondContact O-CA 3.38Å
1132N84.4Confident85.7Confident62 Ų6234.7 Ų34.733%0.33220%0.203SC..  trans-88.5-17.5-172.8-169.560.9000113.8P1108 I1110 R1130P1108-N1132 WeakPolarHBondContact O-CA 3.32Å; P1108-N1132 WeakPolarHBondContact O-CB 3.38Å; P1108-N1132 PolarHBondContact O-N 2.93Å; I1110-N1132 HydrophobicContact CD1-CB 3.69Å; I1110-N1132 VanDerWaalsContact CD1-CG 3.41Å; I1110-N1132 VanDerWaalsContact CD1-OD1 3.27Å; I1110-N1132 WeakPolarHBondContact CD1-OD1 3.44Å; I1110-N1132 HydrophobicContact CG1-CB 4Å; R1130-N1132 PolarHBondContact NH1-OD1 2.99Å
1133L78.2Confident86Confident84 Ų8433.2 Ų33.244%0.4420%0.196SC..SBendtrans-82.9148.2170.2-64177.2000108.9P1108 Y1131P1108-L1133 HydrophobicContact CB-CB 4.19Å; P1108-L1133 HydrophobicContact CB-CD1 3.48Å; P1108-L1133 VanDerWaalsContact CB-CD1 3.48Å; P1108-L1133 HydrophobicContact CB-CG 3.48Å; P1108-L1133 VanDerWaalsContact CB-CG 3.48Å; P1108-L1133 HydrophobicContact CG-CD1 4.3Å; Y1131-L1133 HydrophobicContact CD1-CB 4.28Å; Y1131-L1133 WeakPolarHBondContact CD1-O 3.48Å; Y1131-L1133 HydrophobicContact CE1-CB 3.62Å; Y1131-L1133 WeakPolarHBondContact CE1-O 3.44Å
1134G70.3Confident86.2Confident74 Ų7433.2 Ų33.276%0.76320%0.196SC*.SBendtrans-55.9144.4175.500000111.7
1135G77.3Confident86.3Confident50 Ų5033.5 Ų33.552%0.51520%0.197SC..SBendtrans98.7-152.9-176.300000113.4
1136K79Confident86.3Confident144 Ų14433.9 Ų33.963%0.62620%0.199SC*.  trans-121.6144177.2-60.7-175178.8-178.20108.9L1185 N1186K1136-L1185 CarbonylContact C-O 3.5Å; K1136-L1185 WeakPolarHBondContact CA-O 3.38Å; K1136-N1186 HydrophobicContact CG-CB 4.14Å
1137S79.6Confident86.3Confident7 Ų732.6 Ų32.65%0.04919%0.19CC..  trans-66.2167.9165.974.50000110.3S1184 L1185S1137-S1184 VanDerWaalsContact O-CB 3.28Å; S1137-S1184 WeakPolarHBondContact O-CB 3.15Å; S1137-L1185 PolarHBondContact N-O 3.24Å; S1137-L1185 PolarHBondContact OG-N 3.14Å; S1137-L1185 PolarHBondContact OG-O 2.94Å
1138N73.6Confident86.3Confident61 Ų6133.1 Ų33.133%0.32619%0.194SC..SBendtrans-72-166.9160.2-52.3-59.1000109.7A1140 D1214 Y1216N1138-A1140 PolarHBondContact O-N 3.35Å; N1138-D1214 WeakPolarHBondContact CB-OD2 3.24Å; N1138-D1214 PolarHBondContact N-OD2 2.85Å; N1138-D1214 PolarHBondContact ND2-OD1 2.94Å; N1138-D1214 PolarHBondContact ND2-OD2 2.83Å; N1138-D1214 VanDerWaalsContact ND2-OD2 3.11Å; N1138-Y1216 HydrophobicContact CB-CD2 3.63Å; N1138-Y1216 HydrophobicContact CB-CE2 4.26Å
1139M74.1Confident86.1Confident1 Ų132 Ų321%0.00519%0.187CC..SBendtrans-52.9129.1168.3-173.7-167.959.500109.8H867 V1141 Y1181 F1182 S1183 Y1215 Y1216H867-M1139 PolarHBondContact CE1-SD 2.85Å; H867-M1139 PolarHBondContact ND1-SD 3.21Å; H867-M1139 VanDerWaalsContact ND1-SD 3.35Å; M1139-V1141 HydrophobicContact CE-CG2 4.22Å; M1139-Y1181 HydrophobicContact SD-CD1 4.21Å; M1139-F1182 WeakPolarHBondContact CA-O 3.29Å; M1139-F1182 WeakPolarHBondContact CG-O 3.16Å; M1139-S1183 WeakPolarHBondContact CA-O 3.4Å; M1139-S1183 PolarHBondContact N-O 2.88Å; M1139-Y1215 HydrophobicContact CE-CD1 3.29Å; M1139-Y1215 HydrophobicContact CE-CD2 3.39Å; M1139-Y1215 HydrophobicContact CE-CE1 3.88Å; M1139-Y1215 HydrophobicContact CE-CE2 3.95Å; M1139-Y1215 HydrophobicContact CE-CG 3.01Å; M1139-Y1215 WeakPolarHBondContact O-CB 3.49Å; M1139-Y1215 PolarHBondContact O-N 3.1Å; M1139-Y1216 HydrophobicContact CB-CE2 3.8Å; M1139-Y1216 HydrophobicContact CE-CE2 4.36Å
1140A84.6Confident86.1Confident0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-115146.6176.500000109.7F1109 N1138 F1182 L1185 L1212 Y1213F1109-A1140 HydrophobicContact CE1-CB 4.17Å; F1109-A1140 HydrophobicContact CZ-CB 4.19Å; N1138-A1140 PolarHBondContact O-N 3.35Å; A1140-F1182 HydrophobicContact CB-CB 4.3Å; A1140-F1182 HydrophobicContact CB-CD2 4.34Å; A1140-F1182 PolarHBondContact N-O 2.78Å; A1140-F1182 VanDerWaalsContact N-O 3.14Å; A1140-F1182 WeakPolarHBondContact O-CD2 3.44Å; A1140-F1182 PolarHBondContact O-N 2.94Å; A1140-L1185 HydrophobicContact CB-CD1 3.79Å; A1140-L1185 HydrophobicContact CB-CG 4.31Å; A1140-L1212 HydrophobicContact CB-CD1 3.88Å; A1140-Y1213 VanDerWaalsContact CA-O 3.29Å; A1140-Y1213 WeakPolarHBondContact CA-O 3.38Å
1141V87.5Confident86.2Confident0 Ų030.3 Ų30.30%018%0.184CC..EExtended strand (participates in β ladder)trans-121.9128.7178.11800000109P775 M1139 E1143 Y1181 L1212 Y1213 Y1215P775-V1141 HydrophobicContact CG-CG1 3.77Å; M1139-V1141 HydrophobicContact CE-CG2 4.22Å; V1141-E1143 HydrophobicContact CG1-CG 4.38Å; V1141-Y1181 HydrophobicContact CG1-CE1 4.32Å; V1141-Y1181 HydrophobicContact CG2-CD1 3.66Å; V1141-Y1181 HydrophobicContact CG2-CE1 3.81Å; V1141-L1212 WeakPolarHBondContact O-CA 3.47Å; V1141-L1212 WeakPolarHBondContact O-CD1 3.36Å; V1141-Y1213 HydrophobicContact CB-CE1 4.23Å; V1141-Y1213 HydrophobicContact CB-CE2 4.39Å; V1141-Y1213 HydrophobicContact CG1-CE1 4.38Å; V1141-Y1213 PolarHBondContact N-O 2.89Å; V1141-Y1213 PolarHBondContact O-N 2.86Å; V1141-Y1213 VanDerWaalsContact O-N 3.08Å; V1141-Y1215 HydrophobicContact CG2-CD2 3.75Å; V1141-Y1215 HydrophobicContact CG2-CG 4.45Å
1142L92Very high86.3Confident0 Ų029.7 Ų29.70%018%0.182CC..EExtended strand (participates in β ladder)trans-105.6117.5171-179.684.3000109.4L1127 N1179 I1180 F1182 F1192 I1210 R1211 L1212L1127-L1142 HydrophobicContact CD1-CD2 3.59Å; L1142-N1179 WeakPolarHBondContact O-CA 3.19Å; L1142-I1180 HydrophobicContact CB-CB 4.3Å; L1142-I1180 HydrophobicContact CD2-CD1 4.2Å; L1142-I1180 PolarHBondContact N-O 3.45Å; L1142-I1180 PolarHBondContact O-N 3.47Å; L1142-F1182 HydrophobicContact CB-CE2 3.71Å; L1142-F1182 HydrophobicContact CB-CZ 4.45Å; L1142-F1192 HydrophobicContact CD2-CE2 4.17Å; L1142-F1192 HydrophobicContact CD2-CZ 3.66Å; L1142-I1210 HydrophobicContact CD1-CG2 3.44Å; L1142-I1210 VanDerWaalsContact CD1-CG2 3.44Å; L1142-I1210 HydrophobicContact CG-CG2 4.22Å; L1142-R1211 CarbonylContact C-O 3.52Å; L1142-R1211 WeakPolarHBondContact CA-O 3.31Å; L1142-L1212 HydrophobicContact CB-CD1 4.14Å; L1142-L1212 HydrophobicContact CD1-CB 3.74Å; L1142-L1212 HydrophobicContact CD1-CD1 4.47Å
1143E92.9Very high86.5Confident38 Ų3828.7 Ų28.718%0.17818%0.177CC..EExtended strand (participates in β ladder)trans-99.3118.5169.7-66.3173.3-152.700108.3P775 V1141 I1210 R1211 Y1213P775-E1143 VanDerWaalsContact CD-OE1 3.28Å; P775-E1143 WeakPolarHBondContact CD-OE1 3.48Å; P775-E1143 HydrophobicContact CG-CG 4.27Å; V1141-E1143 HydrophobicContact CG1-CG 4.38Å; E1143-I1210 WeakPolarHBondContact O-CA 3.21Å; E1143-R1211 PolarHBondContact N-O 2.82Å; E1143-R1211 PolarHBondContact O-N 2.79Å; E1143-Y1213 HydrophobicContact CG-CE1 4.26Å; E1143-Y1213 VanDerWaalsContact OE1-CE1 3.25Å; E1143-Y1213 WeakPolarHBondContact OE1-CE1 3.33Å; E1143-Y1213 PolarHBondContact OE1-OH 2.83Å
1144M94Very high86.7Confident0 Ų027.2 Ų27.20%017%0.173CC..EExtended strand (participates in β ladder)trans-122.8113.7-176.2-172.9-163.679.900109.7L1125 L1127 I1152 Q1177 A1178 V1194 I1210L1125-M1144 HydrophobicContact CD2-CG 4.12Å; L1125-M1144 HydrophobicContact CD2-SD 3.53Å; L1125-M1144 VanDerWaalsContact CD2-SD 3.53Å; L1127-M1144 HydrophobicContact CD1-SD 4.22Å; M1144-I1152 HydrophobicContact CE-CD1 3.99Å; M1144-Q1177 CarbonylContact O-C 3.54Å; M1144-Q1177 WeakPolarHBondContact O-CA 3.36Å; M1144-A1178 HydrophobicContact CE-CB 4.25Å; M1144-A1178 PolarHBondContact N-O 3.39Å; M1144-A1178 PolarHBondContact O-N 3.24Å; M1144-V1194 HydrophobicContact CE-CB 3.76Å; M1144-V1194 HydrophobicContact CE-CG1 3.42Å; M1144-V1194 VanDerWaalsContact CE-CG1 3.42Å; M1144-V1194 HydrophobicContact CE-CG2 4.08Å; M1144-V1194 HydrophobicContact SD-CB 4.06Å; M1144-V1194 HydrophobicContact SD-CG1 4.37Å; M1144-V1194 HydrophobicContact SD-CG2 4Å; M1144-I1210 HydrophobicContact CG-CD1 4.17Å; M1144-I1210 HydrophobicContact CG-CG1 4Å
1145Q94.9Very high87Confident39 Ų3928.6 Ų28.618%0.18216%0.163CC..EExtended strand (participates in β ladder)trans-87.8146.4172.8-63.8-179-17.600110.6Q1177 A1208 N1209 Y1226Q1145-Q1177 HydrophobicContact CG-CG 4.44Å; Q1145-A1208 WeakPolarHBondContact O-CB 3.5Å; Q1145-N1209 WeakPolarHBondContact CB-O 3.31Å; Q1145-N1209 PolarHBondContact N-O 2.87Å; Q1145-Y1226 VanDerWaalsContact O-CE1 3.28Å; Q1145-Y1226 WeakPolarHBondContact O-CE1 3.04Å; Q1145-Y1226 PolarHBondContact O-OH 2.86Å; Q1145-Y1226 VanDerWaalsContact O-OH 3.08Å
1146T94.4Very high87.2Confident10 Ų1031 Ų316%0.06116%0.161CC..PPolyproline II helixtrans-83.4156.1169.157.80000111.6F1150 I1152 T1176T1146-F1150 WeakPolarHBondContact CB-O 3.48Å; T1146-F1150 PolarHBondContact OG1-O 3.01Å; T1146-I1152 HydrophobicContact CG2-CD1 3.89Å; T1146-I1152 HydrophobicContact CG2-CG1 3.4Å; T1146-T1176 PolarHBondContact N-O 3.47Å; T1146-T1176 WeakPolarHBondContact OG1-CA 3.28Å; T1146-T1176 WeakPolarHBondContact OG1-CB 3.45Å; T1146-T1176 PolarHBondContact OG1-O 2.85Å
1147P94.4Very high87.5Confident2 Ų224.5 Ų24.51%0.01313%0.133CC..PPolyproline II helixtrans-59.9147.3164.3-21.133.4000110.3L1123 G1149 F1150 A1208 Y1226 V1228L1123-P1147 HydrophobicContact CD2-CG 3.89Å; P1147-G1149 PolarHBondContact O-N 2.58Å; P1147-F1150 HydrophobicContact CB-CD2 4.05Å; P1147-F1150 WeakPolarHBondContact O-CB 3.38Å; P1147-F1150 PolarHBondContact O-N 2.87Å; P1147-A1208 HydrophobicContact CB-CB 4.48Å; P1147-A1208 HydrophobicContact CG-CB 4.03Å; P1147-Y1226 WeakPolarHBondContact CD-OH 3.45Å; P1147-Y1226 HydrophobicContact CG-CE2 4.1Å; P1147-V1228 HydrophobicContact CB-CG1 3.98Å; P1147-V1228 HydrophobicContact CG-CG1 3.84Å
1148S93.3Very high87.5Confident11 Ų1127.2 Ų27.28%0.07715%0.152CC..THydrogen-bonded Turntrans-50.7129.8-178.9-56.30000111.8E598E598-S1148 VanDerWaalsContact CD-OG 3.25Å; E598-S1148 PolarHBondContact OE1-OG 2.87Å; E598-S1148 VanDerWaalsContact OE1-OG 3.11Å; E598-S1148 WeakPolarHBondContact OE2-CB 3.22Å; E598-S1148 PolarHBondContact OE2-OG 2.51Å
1149G90.4Very high87.8Confident4 Ų428.3 Ų28.34%0.04116%0.161CC..THydrogen-bonded Turntrans90.7-12.5-178.700000115.9P1147 A1199 Y1200P1147-G1149 PolarHBondContact O-N 2.58Å; G1149-A1199 PolarHBondContact O-N 2.93Å; G1149-Y1200 PolarHBondContact O-N 2.84Å
1150F92.8Very high88Confident1 Ų128.9 Ų28.90%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-89.9141.2172.5-73.9-96.2000111.9L1123 T1146 P1147 Q1197 L1198 V1228L1123-F1150 HydrophobicContact CB-CD1 3.77Å; L1123-F1150 HydrophobicContact CB-CE1 3.56Å; L1123-F1150 HydrophobicContact CB-CZ 4.33Å; L1123-F1150 HydrophobicContact CD2-CD1 4.14Å; L1123-F1150 HydrophobicContact CD2-CE1 4.31Å; L1123-F1150 HydrophobicContact CD2-CG 4.29Å; T1146-F1150 WeakPolarHBondContact CB-O 3.48Å; T1146-F1150 PolarHBondContact OG1-O 3.01Å; P1147-F1150 HydrophobicContact CB-CD2 4.05Å; P1147-F1150 WeakPolarHBondContact O-CB 3.38Å; P1147-F1150 PolarHBondContact O-N 2.87Å; F1150-Q1197 CarbonylContact C-O 3.6Å; F1150-Q1197 VanDerWaalsContact CA-O 3.31Å; F1150-Q1197 WeakPolarHBondContact CA-O 3.25Å; F1150-L1198 HydrophobicContact CD1-CB 4.23Å; F1150-L1198 HydrophobicContact CD2-CD1 3.86Å; F1150-L1198 HydrophobicContact CE1-CB 3.87Å; F1150-L1198 HydrophobicContact CE1-CD1 4.37Å; F1150-L1198 HydrophobicContact CE2-CD1 3.57Å; F1150-L1198 HydrophobicContact CG-CD1 4.39Å; F1150-L1198 HydrophobicContact CZ-CB 4.07Å; F1150-L1198 HydrophobicContact CZ-CD1 3.85Å; F1150-V1228 HydrophobicContact CD2-CG1 4.48Å; F1150-V1228 HydrophobicContact CE2-CG1 3.76Å; F1150-V1228 HydrophobicContact CZ-CG1 4.18Å
1151V92.3Very high87.4Confident30 Ų3032.2 Ų32.218%0.18219%0.185CC..EExtended strand (participates in β ladder)trans-124.3138.7178.6-176.90000109D1175 S1196 Q1197 A1199 Y1200V1151-D1175 HydrophobicContact CG1-CB 3.47Å; V1151-D1175 VanDerWaalsContact CG1-CB 3.47Å; V1151-S1196 CarbonylContact O-C 3.59Å; V1151-S1196 VanDerWaalsContact O-CA 3.22Å; V1151-S1196 WeakPolarHBondContact O-CA 3.4Å; V1151-S1196 WeakPolarHBondContact O-CB 3.33Å; V1151-Q1197 PolarHBondContact N-O 2.76Å; V1151-Q1197 PolarHBondContact O-N 3.48Å; V1151-A1199 HydrophobicContact CB-CB 4.23Å; V1151-A1199 HydrophobicContact CG2-CB 3.55Å; V1151-Y1200 HydrophobicContact CG2-CD2 4.42Å; V1151-Y1200 HydrophobicContact CG2-CE2 3.96Å
1152I93Very high86.4Confident6 Ų637.2 Ų37.23%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-76.6138.6-176.3-58.4173.1000110M1144 T1146 S1154 L1157 T1171 D1175 A1178 V1194M1144-I1152 HydrophobicContact CE-CD1 3.99Å; T1146-I1152 HydrophobicContact CG2-CD1 3.89Å; T1146-I1152 HydrophobicContact CG2-CG1 3.4Å; I1152-S1154 PolarHBondContact O-N 3.47Å; I1152-S1154 VanDerWaalsContact O-N 3.12Å; I1152-L1157 HydrophobicContact CG2-CB 4.33Å; I1152-L1157 HydrophobicContact CG2-CD1 4.45Å; I1152-L1157 HydrophobicContact CG2-CD2 4.01Å; I1152-T1171 HydrophobicContact CB-CG2 4.48Å; I1152-T1171 HydrophobicContact CG2-CG2 4.43Å; I1152-D1175 WeakPolarHBondContact CB-O 3.36Å; I1152-D1175 VanDerWaalsContact CG1-O 3.26Å; I1152-D1175 WeakPolarHBondContact CG1-O 3.06Å; I1152-D1175 PolarHBondContact N-O 2.85Å; I1152-A1178 HydrophobicContact CD1-CB 3.51Å; I1152-V1194 HydrophobicContact CG2-CG1 3.83Å
1153D87.8Confident85.3Confident40 Ų4041.5 Ų41.521%0.21424%0.238CC..  trans-75.896.8170.5-174.6-26.8000109.2D1155 Q1156 L1157 S1195D1153-D1155 VanDerWaalsContact C-N 3.3Å; D1153-D1155 PolarHBondContact O-N 2.9Å; D1153-D1155 PolarHBondContact OD1-N 3.09Å; D1153-Q1156 HydrophobicContact CB-CB 4.18Å; D1153-Q1156 HydrophobicContact CB-CG 4.4Å; D1153-Q1156 PolarHBondContact O-N 2.78Å; D1153-Q1156 PolarHBondContact OD1-N 2.76Å; D1153-Q1156 WeakPolarHBondContact OD2-CG 3.06Å; D1153-L1157 WeakPolarHBondContact O-CB 3.22Å; D1153-L1157 PolarHBondContact O-N 2.9Å; D1153-S1195 PolarHBondContact N-O 2.81Å; D1153-S1195 VanDerWaalsContact N-O 3.09Å
1154S81.8Confident84Confident53 Ų5348 Ų4837%0.37127%0.269SS..Hα-helixtrans-65-32.2-176.353.80000113.1I1152 L1157 S1158I1152-S1154 PolarHBondContact O-N 3.47Å; I1152-S1154 VanDerWaalsContact O-N 3.12Å; S1154-L1157 PolarHBondContact O-N 2.94Å; S1154-S1158 PolarHBondContact O-N 2.8Å
1155D78.2Confident83Confident103 Ų10353.5 Ų53.555%0.55129%0.29SS*.Hα-helixtrans-64.3-47.9175.6-75.8-25.1000110.1D1153 S1158D1153-D1155 VanDerWaalsContact C-N 3.3Å; D1153-D1155 PolarHBondContact O-N 2.9Å; D1153-D1155 PolarHBondContact OD1-N 3.09Å; D1155-S1158 PolarHBondContact O-N 3.35Å; D1155-S1158 PolarHBondContact O-OG 3.09Å
1156Q81.5Confident82Confident101 Ų10151.8 Ų51.847%0.47228%0.282SS..Hα-helixtrans-65.7-41.2175.3-74.7-166.81400112.6D1153 S1158 T1159D1153-Q1156 HydrophobicContact CB-CB 4.18Å; D1153-Q1156 HydrophobicContact CB-CG 4.4Å; D1153-Q1156 PolarHBondContact O-N 2.78Å; D1153-Q1156 PolarHBondContact OD1-N 2.76Å; D1153-Q1156 WeakPolarHBondContact OD2-CG 3.06Å; Q1156-S1158 PolarHBondContact O-N 3.08Å; Q1156-T1159 WeakPolarHBondContact O-CB 3.36Å; Q1156-T1159 PolarHBondContact O-N 2.86Å; Q1156-T1159 VanDerWaalsContact O-N 3.08Å; Q1156-T1159 PolarHBondContact O-OG1 2.93Å
1157L85Confident80.8Confident7 Ų753.9 Ų53.94%0.03729%0.291CS..Hα-helixtrans-59-38.8180-170.571.3000111.7I1152 D1153 S1154 T1159 L1160 V1169 T1171 A1178 I1180 V1194I1152-L1157 HydrophobicContact CG2-CB 4.33Å; I1152-L1157 HydrophobicContact CG2-CD1 4.45Å; I1152-L1157 HydrophobicContact CG2-CD2 4.01Å; D1153-L1157 WeakPolarHBondContact O-CB 3.22Å; D1153-L1157 PolarHBondContact O-N 2.9Å; S1154-L1157 PolarHBondContact O-N 2.94Å; L1157-T1159 PolarHBondContact O-N 2.87Å; L1157-L1160 HydrophobicContact CD1-CD1 3.88Å; L1157-L1160 WeakPolarHBondContact O-CB 3.4Å; L1157-L1160 WeakPolarHBondContact O-CG 3.47Å; L1157-L1160 PolarHBondContact O-N 2.88Å; L1157-L1160 VanDerWaalsContact O-N 3.17Å; L1157-V1169 HydrophobicContact CD1-CG1 3.65Å; L1157-V1169 HydrophobicContact CD2-CB 4.49Å; L1157-V1169 HydrophobicContact CD2-CG1 3.39Å; L1157-V1169 HydrophobicContact CG-CB 4.16Å; L1157-V1169 HydrophobicContact CG-CG1 3.28Å; L1157-T1171 HydrophobicContact CD2-CG2 3.52Å; L1157-A1178 HydrophobicContact CD1-CB 4.39Å; L1157-A1178 HydrophobicContact CD2-CB 3.98Å; L1157-I1180 HydrophobicContact CD1-CD1 4.47Å; L1157-V1194 HydrophobicContact CD1-CG1 3.9Å; L1157-V1194 HydrophobicContact CD1-CG2 4.05Å
1158S78.5Confident79.9Confident64 Ų6458.2 Ų58.245%0.44831%0.307SS..Hα-helixtrans-59.7-29.2178780000113.2S1154 D1155 Q1156 L1160 T1161S1154-S1158 PolarHBondContact O-N 2.8Å; D1155-S1158 PolarHBondContact O-N 3.35Å; D1155-S1158 PolarHBondContact O-OG 3.09Å; Q1156-S1158 PolarHBondContact O-N 3.08Å; S1158-L1160 PolarHBondContact O-N 3.02Å; S1158-T1161 PolarHBondContact O-N 3.15Å; S1158-T1161 PolarHBondContact O-OG1 2.85Å
1159T79.7Confident79.4Confident84 Ų8458.8 Ų58.852%0.51531%0.31SS..G310 helixtrans-67-20.5-179.571.40000113.4Q1156 L1157 T1161 S1162Q1156-T1159 WeakPolarHBondContact O-CB 3.36Å; Q1156-T1159 PolarHBondContact O-N 2.86Å; Q1156-T1159 VanDerWaalsContact O-N 3.08Å; Q1156-T1159 PolarHBondContact O-OG1 2.93Å; L1157-T1159 PolarHBondContact O-N 2.87Å; T1159-T1161 PolarHBondContact O-N 2.82Å; T1159-S1162 VanDerWaalsContact O-CB 3.3Å; T1159-S1162 WeakPolarHBondContact O-CB 3.45Å; T1159-S1162 PolarHBondContact O-N 2.95Å; T1159-S1162 VanDerWaalsContact O-N 3.09Å; T1159-S1162 PolarHBondContact O-OG 2.95Å
1160L79.1Confident79.2Confident13 Ų1360.4 Ų60.47%0.06832%0.317CS..G310 helixtrans-63.2-27178.6-66.1-177.4000112.9L1157 S1158 S1162 K1163 L1166 V1169 F1192L1157-L1160 HydrophobicContact CD1-CD1 3.88Å; L1157-L1160 WeakPolarHBondContact O-CB 3.4Å; L1157-L1160 WeakPolarHBondContact O-CG 3.47Å; L1157-L1160 PolarHBondContact O-N 2.88Å; L1157-L1160 VanDerWaalsContact O-N 3.17Å; S1158-L1160 PolarHBondContact O-N 3.02Å; L1160-S1162 PolarHBondContact O-N 2.8Å; L1160-S1162 VanDerWaalsContact O-N 3.16Å; L1160-K1163 WeakPolarHBondContact O-CB 3.14Å; L1160-K1163 PolarHBondContact O-N 2.87Å; L1160-K1163 VanDerWaalsContact O-N 3.1Å; L1160-L1166 HydrophobicContact CB-CD1 3.9Å; L1160-V1169 HydrophobicContact CB-CG2 4.09Å; L1160-F1192 HydrophobicContact CD1-CB 4.45Å; L1160-F1192 HydrophobicContact CD1-CD2 3.97Å; L1160-F1192 HydrophobicContact CD1-CG 4.46Å; L1160-F1192 HydrophobicContact CD2-CB 3.77Å
1161T72.6Confident78.9Confident71 Ų7162.2 Ų62.244%0.43633%0.328SS..G310 helixtrans-67.3-9.3176.161.30000113.8S1158 T1159 K1163 V1169S1158-T1161 PolarHBondContact O-N 3.15Å; S1158-T1161 PolarHBondContact O-OG1 2.85Å; T1159-T1161 PolarHBondContact O-N 2.82Å; T1161-K1163 PolarHBondContact O-N 2.92Å; T1161-V1169 HydrophobicContact CG2-CG2 4.14Å
1162S65.3Low78.6Confident105 Ų10564.6 Ų64.673%0.73434%0.34SS*.G310 helixtrans-67.8-16.1169.864.20000113.2T1159 L1160T1159-S1162 VanDerWaalsContact O-CB 3.3Å; T1159-S1162 WeakPolarHBondContact O-CB 3.45Å; T1159-S1162 PolarHBondContact O-N 2.95Å; T1159-S1162 VanDerWaalsContact O-N 3.09Å; T1159-S1162 PolarHBondContact O-OG 2.95Å; L1160-S1162 PolarHBondContact O-N 2.8Å; L1160-S1162 VanDerWaalsContact O-N 3.16Å
1163K68.5Low78.3Confident89 Ų8966.9 Ų66.939%0.38735%0.35SS..SBendtrans-88128.5176.1-61.1-173179.4-171.90110.2L1160 T1161 Y1165 L1166 C1191L1160-K1163 WeakPolarHBondContact O-CB 3.14Å; L1160-K1163 PolarHBondContact O-N 2.87Å; L1160-K1163 VanDerWaalsContact O-N 3.1Å; T1161-K1163 PolarHBondContact O-N 2.92Å; K1163-Y1165 PolarHBondContact O-N 2.96Å; K1163-L1166 HydrophobicContact CD-CD1 4.36Å; K1163-L1166 PolarHBondContact O-N 2.79Å; K1163-C1191 PolarHBondContact NZ-O 2.93Å
1164E67.2Low78.3Confident176 Ų17671 Ų7182%0.82237%0.368SS*.THydrogen-bonded Turntrans-54.3-29-174.3-167.5173-171.400114.7
1165Y72Confident78.7Confident114 Ų11471 Ų7145%0.44736%0.363SS..THydrogen-bonded Turntrans-85.2-15.9-179-52.9-79.3000114.7K1163 F1182 S1183 I1190K1163-Y1165 PolarHBondContact O-N 2.96Å; Y1165-F1182 WeakPolarHBondContact O-CA 3.47Å; Y1165-S1183 PolarHBondContact O-N 2.91Å; Y1165-S1183 VanDerWaalsContact O-N 3.08Å; Y1165-S1183 PolarHBondContact O-OG 3.18Å; Y1165-I1190 HydrophobicContact CD1-CD1 4.43Å; Y1165-I1190 HydrophobicContact CD2-CD1 4.46Å; Y1165-I1190 HydrophobicContact CG-CD1 3.91Å
1166L75.2Confident79.5Confident3 Ų367 Ų672%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-103.297.4-178.4-73.7176000109.5L1160 K1163 I1180 F1182 F1192L1160-L1166 HydrophobicContact CB-CD1 3.9Å; K1163-L1166 HydrophobicContact CD-CD1 4.36Å; K1163-L1166 PolarHBondContact O-N 2.79Å; L1166-I1180 HydrophobicContact CD2-CG2 3.45Å; L1166-I1180 VanDerWaalsContact CD2-CG2 3.45Å; L1166-F1182 HydrophobicContact CD2-CD1 3.54Å; L1166-F1182 HydrophobicContact CD2-CE1 3.41Å; L1166-F1182 VanDerWaalsContact CD2-CE1 3.41Å; L1166-F1182 HydrophobicContact CD2-CG 4.24Å; L1166-F1182 HydrophobicContact CD2-CZ 4Å; L1166-F1192 HydrophobicContact CD1-CD1 4.43Å
1167Q68Low80Confident54 Ų5463 Ų6325%0.25232%0.324SS..EExtended strand (participates in β ladder)trans-72.1-37.4-171.6-71.2-178.1-17.900112.9L866 Y1181L866-Q1167 VanDerWaalsContact CD2-NE2 3.29Å; Q1167-Y1181 PolarHBondContact N-O 2.97Å
1168R76Confident80.4Confident93 Ų9362.7 Ų62.735%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-156.6148.2-172.9-175.3177.6176.1121.9-11.1110G777 E1170 Y1181G777-R1168 VanDerWaalsContact O-CZ 3.27Å; G777-R1168 PolarHBondContact O-NH1 3.01Å; R1168-E1170 IonicContact CZ-OE2 3.27Å; R1168-E1170 IonicContact NE-OE2 3.24Å; R1168-E1170 PolarHBondContact NE-OE2 2.04Å; R1168-E1170 IonicContact NH2-OE2 3.13Å; R1168-E1170 PolarHBondContact NH2-OE2 3.27Å; R1168-Y1181 HydrophobicContact CB-CD2 3.94Å; R1168-Y1181 HydrophobicContact CB-CG 4.34Å; R1168-Y1181 HydrophobicContact CG-CD2 4.22Å; R1168-Y1181 PolarHBondContact O-N 2.61Å
1169V82.9Confident81Confident23 Ų2359.6 Ų59.614%0.13930%0.301CS..EExtended strand (participates in β ladder)trans-136.9140.1165.3-165.60000109.4L1157 L1160 T1161 N1179 I1180L1157-V1169 HydrophobicContact CD1-CG1 3.65Å; L1157-V1169 HydrophobicContact CD2-CB 4.49Å; L1157-V1169 HydrophobicContact CD2-CG1 3.39Å; L1157-V1169 HydrophobicContact CG-CB 4.16Å; L1157-V1169 HydrophobicContact CG-CG1 3.28Å; L1160-V1169 HydrophobicContact CB-CG2 4.09Å; T1161-V1169 HydrophobicContact CG2-CG2 4.14Å; V1169-N1179 WeakPolarHBondContact CA-O 3.34Å; V1169-I1180 HydrophobicContact CG1-CG1 3.67Å; V1169-I1180 HydrophobicContact CG2-CG1 4.37Å; V1169-I1180 HydrophobicContact CG2-CG2 4.38Å
1170E85.7Confident81.5Confident38 Ų3855.6 Ų55.618%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-144.4163.2175.363.4-170.1-162.900110.7R1168 A1178 N1179 Y1181R1168-E1170 IonicContact CZ-OE2 3.27Å; R1168-E1170 IonicContact NE-OE2 3.24Å; R1168-E1170 PolarHBondContact NE-OE2 2.04Å; R1168-E1170 IonicContact NH2-OE2 3.13Å; R1168-E1170 PolarHBondContact NH2-OE2 3.27Å; E1170-A1178 WeakPolarHBondContact O-CA 3.4Å; E1170-N1179 HydrophobicContact CG-CB 3.94Å; E1170-N1179 PolarHBondContact N-O 3.37Å; E1170-N1179 VanDerWaalsContact N-O 3.13Å; E1170-N1179 PolarHBondContact O-N 3.08Å; E1170-Y1181 HydrophobicContact CG-CE2 4.21Å; E1170-Y1181 PolarHBondContact OE1-OH 2.89Å
1171T87.4Confident81.7Confident40 Ų4055 Ų5525%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-115148.3176.751.60000111I1152 L1157 D1175 Q1177I1152-T1171 HydrophobicContact CB-CG2 4.48Å; I1152-T1171 HydrophobicContact CG2-CG2 4.43Å; L1157-T1171 HydrophobicContact CD2-CG2 3.52Å; T1171-D1175 WeakPolarHBondContact CB-OD1 3.38Å; T1171-D1175 PolarHBondContact OG1-OD1 2.96Å; T1171-Q1177 CarbonylContact C-O 3.58Å; T1171-Q1177 VanDerWaalsContact CA-O 3.22Å; T1171-Q1177 WeakPolarHBondContact CA-O 3.06Å
1172D85.3Confident82.3Confident79 Ų7951.6 Ų51.642%0.42225%0.253SS..EExtended strand (participates in β ladder)trans-131.1169.4177-105-29.8000109.9Q1174 D1175 T1176 Q1177 N1179D1172-Q1174 PolarHBondContact O-N 3.11Å; D1172-D1175 PolarHBondContact O-N 3.5Å; D1172-T1176 PolarHBondContact O-N 2.86Å; D1172-Q1177 HydrophobicContact CB-CB 4.26Å; D1172-Q1177 PolarHBondContact N-O 3.06Å; D1172-Q1177 PolarHBondContact O-N 3.47Å; D1172-N1179 PolarHBondContact OD2-ND2 2.75Å; D1172-N1179 VanDerWaalsContact OD2-ND2 3.1Å
1173K87.5Confident82.7Confident54 Ų5447.9 Ų47.924%0.23523%0.227CC..THydrogen-bonded Turntrans55.546.9174.4-62-175.4175.9-168.60113.8Y592 E711 T1176 Q1177Y592-K1173 HydrophobicContact CD1-CB 3.73Å; Y592-K1173 HydrophobicContact CD1-CD 4.27Å; Y592-K1173 HydrophobicContact CD1-CG 4.29Å; Y592-K1173 HydrophobicContact CD2-CB 4.37Å; Y592-K1173 HydrophobicContact CE1-CB 3.55Å; Y592-K1173 HydrophobicContact CE1-CD 3.67Å; Y592-K1173 HydrophobicContact CE1-CG 3.62Å; Y592-K1173 HydrophobicContact CE2-CB 4.19Å; Y592-K1173 HydrophobicContact CG-CB 4.15Å; E711-K1173 IonicContact OE1-NZ 3.05Å; E711-K1173 PolarHBondContact OE1-NZ 3.3Å; K1173-T1176 WeakPolarHBondContact CB-OG1 3.44Å; K1173-T1176 PolarHBondContact O-N 2.91Å; K1173-T1176 PolarHBondContact O-OG1 2.62Å; K1173-Q1177 HydrophobicContact CD-CB 4.4Å
1174Q87.3Confident83.3Confident127 Ų12744.9 Ų44.959%0.59322%0.216SC*.THydrogen-bonded Turntrans55.650.1-175-57.5178.36.500112.6Y592 D1172 T1176Y592-Q1174 HydrophobicContact CD2-CB 4.24Å; Y592-Q1174 HydrophobicContact CD2-CG 3.82Å; D1172-Q1174 PolarHBondContact O-N 3.11Å; Q1174-T1176 PolarHBondContact O-N 2.79Å
1175D90.6Very high84.2Confident52 Ų5236.5 Ų36.528%0.27818%0.177SC..THydrogen-bonded Turntrans63.420.3176.8-54.3-40.8000114.7V1151 I1152 T1171 D1172V1151-D1175 HydrophobicContact CG1-CB 3.47Å; V1151-D1175 VanDerWaalsContact CG1-CB 3.47Å; I1152-D1175 WeakPolarHBondContact CB-O 3.36Å; I1152-D1175 VanDerWaalsContact CG1-O 3.26Å; I1152-D1175 WeakPolarHBondContact CG1-O 3.06Å; I1152-D1175 PolarHBondContact N-O 2.85Å; T1171-D1175 WeakPolarHBondContact CB-OD1 3.38Å; T1171-D1175 PolarHBondContact OG1-OD1 2.96Å; D1172-D1175 PolarHBondContact O-N 3.5Å
1176T93.3Very high84.9Confident20 Ų2032.5 Ų32.512%0.12316%0.164CC..THydrogen-bonded Turntrans-96.7-0.2173.273.10000113.4T1146 D1172 K1173 Q1174T1146-T1176 PolarHBondContact N-O 3.47Å; T1146-T1176 WeakPolarHBondContact OG1-CA 3.28Å; T1146-T1176 WeakPolarHBondContact OG1-CB 3.45Å; T1146-T1176 PolarHBondContact OG1-O 2.85Å; D1172-T1176 PolarHBondContact O-N 2.86Å; K1173-T1176 WeakPolarHBondContact CB-OG1 3.44Å; K1173-T1176 PolarHBondContact O-N 2.91Å; K1173-T1176 PolarHBondContact O-OG1 2.62Å; Q1174-T1176 PolarHBondContact O-N 2.79Å
1177Q93.4Very high85.3Confident17 Ų1735.4 Ų35.48%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-136.3132.8173.9-177176.2-4600109.4M1144 Q1145 T1171 D1172 K1173 N1179M1144-Q1177 CarbonylContact O-C 3.54Å; M1144-Q1177 WeakPolarHBondContact O-CA 3.36Å; Q1145-Q1177 HydrophobicContact CG-CG 4.44Å; T1171-Q1177 CarbonylContact C-O 3.58Å; T1171-Q1177 VanDerWaalsContact CA-O 3.22Å; T1171-Q1177 WeakPolarHBondContact CA-O 3.06Å; D1172-Q1177 HydrophobicContact CB-CB 4.26Å; D1172-Q1177 PolarHBondContact N-O 3.06Å; D1172-Q1177 PolarHBondContact O-N 3.47Å; K1173-Q1177 HydrophobicContact CD-CB 4.4Å; Q1177-N1179 PolarHBondContact NE2-OD1 2.68Å
1178A92.8Very high86.3Confident0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-108.1135.6168.600000110.4M1144 I1152 L1157 E1170M1144-A1178 HydrophobicContact CE-CB 4.25Å; M1144-A1178 PolarHBondContact N-O 3.39Å; M1144-A1178 PolarHBondContact O-N 3.24Å; I1152-A1178 HydrophobicContact CD1-CB 3.51Å; L1157-A1178 HydrophobicContact CD1-CB 4.39Å; L1157-A1178 HydrophobicContact CD2-CB 3.98Å; E1170-A1178 WeakPolarHBondContact O-CA 3.4Å
1179N90.4Very high86.9Confident0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-111.1114.2172.3-54.7-34000107.7P775 L1142 V1169 E1170 D1172 Q1177 Y1181P775-N1179 HydrophobicContact CB-CB 4.05Å; P775-N1179 VanDerWaalsContact CB-ND2 3.35Å; P775-N1179 WeakPolarHBondContact CB-ND2 3.4Å; P775-N1179 HydrophobicContact CG-CB 4.1Å; L1142-N1179 WeakPolarHBondContact O-CA 3.19Å; V1169-N1179 WeakPolarHBondContact CA-O 3.34Å; E1170-N1179 HydrophobicContact CG-CB 3.94Å; E1170-N1179 PolarHBondContact N-O 3.37Å; E1170-N1179 VanDerWaalsContact N-O 3.13Å; E1170-N1179 PolarHBondContact O-N 3.08Å; D1172-N1179 PolarHBondContact OD2-ND2 2.75Å; D1172-N1179 VanDerWaalsContact OD2-ND2 3.1Å; Q1177-N1179 PolarHBondContact NE2-OD1 2.68Å; N1179-Y1181 HydrophobicContact CB-CE2 4.08Å
1180I90.1Very high87.2Confident0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-114.5125.2-174.7-61.3173.2000109.1L1142 L1157 L1166 V1169 F1182 F1192 V1194L1142-I1180 HydrophobicContact CB-CB 4.3Å; L1142-I1180 HydrophobicContact CD2-CD1 4.2Å; L1142-I1180 PolarHBondContact N-O 3.45Å; L1142-I1180 PolarHBondContact O-N 3.47Å; L1157-I1180 HydrophobicContact CD1-CD1 4.47Å; L1166-I1180 HydrophobicContact CD2-CG2 3.45Å; L1166-I1180 VanDerWaalsContact CD2-CG2 3.45Å; V1169-I1180 HydrophobicContact CG1-CG1 3.67Å; V1169-I1180 HydrophobicContact CG2-CG1 4.37Å; V1169-I1180 HydrophobicContact CG2-CG2 4.38Å; I1180-F1182 HydrophobicContact CG2-CE2 4Å; I1180-F1182 HydrophobicContact CG2-CZ 3.94Å; I1180-F1192 HydrophobicContact CD1-CD2 4.21Å; I1180-F1192 HydrophobicContact CD1-CE2 3.45Å; I1180-F1192 VanDerWaalsContact CD1-CE2 3.45Å; I1180-F1192 HydrophobicContact CD1-CZ 4.05Å; I1180-F1192 HydrophobicContact CG2-CZ 4.5Å; I1180-V1194 HydrophobicContact CD1-CG2 4.06Å
1181Y85Confident87.5Confident0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-106.6120-174.4-63-97.2000111.5P775 Y776 M1139 V1141 Q1167 R1168 E1170 N1179P775-Y1181 VanDerWaalsContact CB-OH 3.23Å; P775-Y1181 WeakPolarHBondContact CB-OH 3.36Å; P775-Y1181 PolarHBondContact O-OH 2.86Å; Y776-Y1181 PolarHBondContact N-OH 3.48Å; Y776-Y1181 VanDerWaalsContact N-OH 3.11Å; M1139-Y1181 HydrophobicContact SD-CD1 4.21Å; V1141-Y1181 HydrophobicContact CG1-CE1 4.32Å; V1141-Y1181 HydrophobicContact CG2-CD1 3.66Å; V1141-Y1181 HydrophobicContact CG2-CE1 3.81Å; Q1167-Y1181 PolarHBondContact N-O 2.97Å; R1168-Y1181 HydrophobicContact CB-CD2 3.94Å; R1168-Y1181 HydrophobicContact CB-CG 4.34Å; R1168-Y1181 HydrophobicContact CG-CD2 4.22Å; R1168-Y1181 PolarHBondContact O-N 2.61Å; E1170-Y1181 HydrophobicContact CG-CE2 4.21Å; E1170-Y1181 PolarHBondContact OE1-OH 2.89Å; N1179-Y1181 HydrophobicContact CB-CE2 4.08Å
1182F84.5Confident87.7Confident0 Ų035.8 Ų35.80%020%0.201CC..EExtended strand (participates in β ladder)trans-98.6130.5174.3-57-90.8000109.7M1139 A1140 L1142 Y1165 L1166 I1180 S1184 L1185 I1190 F1192 L1212M1139-F1182 WeakPolarHBondContact CA-O 3.29Å; M1139-F1182 WeakPolarHBondContact CG-O 3.16Å; A1140-F1182 HydrophobicContact CB-CB 4.3Å; A1140-F1182 HydrophobicContact CB-CD2 4.34Å; A1140-F1182 PolarHBondContact N-O 2.78Å; A1140-F1182 VanDerWaalsContact N-O 3.14Å; A1140-F1182 WeakPolarHBondContact O-CD2 3.44Å; A1140-F1182 PolarHBondContact O-N 2.94Å; L1142-F1182 HydrophobicContact CB-CE2 3.71Å; L1142-F1182 HydrophobicContact CB-CZ 4.45Å; Y1165-F1182 WeakPolarHBondContact O-CA 3.47Å; L1166-F1182 HydrophobicContact CD2-CD1 3.54Å; L1166-F1182 HydrophobicContact CD2-CE1 3.41Å; L1166-F1182 VanDerWaalsContact CD2-CE1 3.41Å; L1166-F1182 HydrophobicContact CD2-CG 4.24Å; L1166-F1182 HydrophobicContact CD2-CZ 4Å; I1180-F1182 HydrophobicContact CG2-CE2 4Å; I1180-F1182 HydrophobicContact CG2-CZ 3.94Å; F1182-S1184 VanDerWaalsContact C-N 3.26Å; F1182-S1184 PolarHBondContact O-N 3.33Å; F1182-L1185 HydrophobicContact CB-CG 4.25Å; F1182-L1185 HydrophobicContact CD1-CD2 3.79Å; F1182-L1185 HydrophobicContact CD1-CG 4.37Å; F1182-L1185 HydrophobicContact CE1-CD2 4.18Å; F1182-L1185 HydrophobicContact CG-CD1 4.49Å; F1182-L1185 HydrophobicContact CG-CD2 4.12Å; F1182-L1185 HydrophobicContact CG-CG 4.2Å; F1182-I1190 HydrophobicContact CD1-CD1 4.07Å; F1182-I1190 HydrophobicContact CE1-CB 4.4Å; F1182-I1190 HydrophobicContact CE1-CG2 4.15Å; F1182-F1192 HydrophobicContact CE1-CD1 4.49Å; F1182-F1192 AromaticContact CE1-CE1 3.76Å; F1182-F1192 HydrophobicContact CE1-CE1 3.76Å; F1182-F1192 HydrophobicContact CE1-CZ 4.46Å; F1182-F1192 AromaticContact CZ-CE1 3.53Å; F1182-F1192 HydrophobicContact CZ-CE1 3.53Å; F1182-F1192 AromaticContact CZ-CZ 3.8Å; F1182-F1192 HydrophobicContact CZ-CZ 3.8Å; F1182-L1212 HydrophobicContact CD2-CD1 4.36Å; F1182-L1212 HydrophobicContact CE2-CD1 4.25Å
1183S73.8Confident88Confident27 Ų2736.5 Ų36.519%0.18921%0.205CC..SBendtrans-57.4-43.7172.659.30000111.6M1139 Y1165M1139-S1183 WeakPolarHBondContact CA-O 3.4Å; M1139-S1183 PolarHBondContact N-O 2.88Å; Y1165-S1183 PolarHBondContact O-N 2.91Å; Y1165-S1183 VanDerWaalsContact O-N 3.08Å; Y1165-S1183 PolarHBondContact O-OG 3.18Å
1184S80.8Confident88.2Confident25 Ų2534 Ų3418%0.17519%0.194CC..  trans-164158.4169.556.10000109.2S1137 F1182S1137-S1184 VanDerWaalsContact O-CB 3.28Å; S1137-S1184 WeakPolarHBondContact O-CB 3.15Å; F1182-S1184 VanDerWaalsContact C-N 3.26Å; F1182-S1184 PolarHBondContact O-N 3.33Å
1185L86.5Confident88.4Confident0 Ų028.5 Ų28.50%017%0.17CC..  trans-111129.5168.6-71.7167.8000108.8F1109 C1129 Y1131 K1136 S1137 A1140 F1182 I1190 L1212F1109-L1185 HydrophobicContact CD1-CD1 3.77Å; F1109-L1185 HydrophobicContact CE1-CB 4.31Å; F1109-L1185 HydrophobicContact CE1-CD1 3.67Å; C1129-L1185 HydrophobicContact CB-CD2 4.45Å; Y1131-L1185 WeakPolarHBondContact CB-O 3.27Å; K1136-L1185 CarbonylContact C-O 3.5Å; K1136-L1185 WeakPolarHBondContact CA-O 3.38Å; S1137-L1185 PolarHBondContact N-O 3.24Å; S1137-L1185 PolarHBondContact OG-N 3.14Å; S1137-L1185 PolarHBondContact OG-O 2.94Å; A1140-L1185 HydrophobicContact CB-CD1 3.79Å; A1140-L1185 HydrophobicContact CB-CG 4.31Å; F1182-L1185 HydrophobicContact CB-CG 4.25Å; F1182-L1185 HydrophobicContact CD1-CD2 3.79Å; F1182-L1185 HydrophobicContact CD1-CG 4.37Å; F1182-L1185 HydrophobicContact CE1-CD2 4.18Å; F1182-L1185 HydrophobicContact CG-CD1 4.49Å; F1182-L1185 HydrophobicContact CG-CD2 4.12Å; F1182-L1185 HydrophobicContact CG-CG 4.2Å; L1185-I1190 HydrophobicContact CD2-CB 4.38Å; L1185-I1190 HydrophobicContact CD2-CD1 3.79Å; L1185-I1190 HydrophobicContact CD2-CG1 4.13Å; L1185-L1212 HydrophobicContact CD1-CD1 4.07Å; L1185-L1212 HydrophobicContact CD1-CD2 3.78Å; L1185-L1212 HydrophobicContact CD1-CG 4.47Å
1186N86.3Confident88.5Confident31 Ų3126.1 Ų26.117%0.16616%0.157CC..  trans-102.9-173.3173.458.4-18.2000110.1Y1131 K1136 D1188Y1131-N1186 PolarHBondContact N-O 3.24Å; K1136-N1186 HydrophobicContact CG-CB 4.14Å; N1186-D1188 PolarHBondContact ND2-OD2 2.91Å; N1186-D1188 PolarHBondContact O-N 3.46Å; N1186-D1188 PolarHBondContact OD1-O 3.49Å
1187S84.6Confident88.3Confident63 Ų6329.7 Ų29.744%0.44117%0.172SC..SBendtrans-67.1-25.3175.7-50.50000113.1R1130 Y1131R1130-S1187 WeakPolarHBondContact CD-O 3.4Å; Y1131-S1187 WeakPolarHBondContact O-CA 3.38Å
1188D87.4Confident88.1Confident109 Ų10929.7 Ų29.758%0.58317%0.173SC*.SBendtrans-76.7129.1174-58-43.9000110.5N1186N1186-D1188 PolarHBondContact ND2-OD2 2.91Å; N1186-D1188 PolarHBondContact O-N 3.46Å; N1186-D1188 PolarHBondContact OD1-O 3.49Å
1189P88.6Confident87.8Confident72 Ų7231.1 Ų31.147%0.46819%0.185SC..  trans-73132.9-176.728.4-33.5000112.7C1128 C1129 R1130C1128-P1189 HydrophobicContact CB-CB 4.37Å; C1129-P1189 WeakPolarHBondContact O-CA 3.26Å; R1130-P1189 HydrophobicContact CB-CB 4.2Å
1190I90.2Very high87.7Confident16 Ų1632.6 Ų32.68%0.08219%0.19CC..EExtended strand (participates in β ladder)trans-90.4112.7169.7-57.3-177.5000108.2C1128 C1129 Y1165 F1182 L1185 F1192C1128-I1190 WeakPolarHBondContact CA-O 3.29Å; C1129-I1190 PolarHBondContact N-O 2.75Å; C1129-I1190 PolarHBondContact O-N 3Å; Y1165-I1190 HydrophobicContact CD1-CD1 4.43Å; Y1165-I1190 HydrophobicContact CD2-CD1 4.46Å; Y1165-I1190 HydrophobicContact CG-CD1 3.91Å; F1182-I1190 HydrophobicContact CD1-CD1 4.07Å; F1182-I1190 HydrophobicContact CE1-CB 4.4Å; F1182-I1190 HydrophobicContact CE1-CG2 4.15Å; L1185-I1190 HydrophobicContact CD2-CB 4.38Å; L1185-I1190 HydrophobicContact CD2-CD1 3.79Å; L1185-I1190 HydrophobicContact CD2-CG1 4.13Å; I1190-F1192 HydrophobicContact CG2-CD1 4.33Å
1191C91.2Very high87.6Confident54 Ų5435 Ų3537%0.36520%0.202SC..EExtended strand (participates in β ladder)trans-103.7135.1-179.8-61.50000112.6L1127 C1128 K1163L1127-C1191 CarbonylContact O-C 3.57Å; L1127-C1191 WeakPolarHBondContact O-CA 3.48Å; C1128-C1191 HydrophobicContact CB-CB 4.21Å; C1128-C1191 WeakPolarHBondContact CB-SG 3.35Å; C1128-C1191 WeakPolarHBondContact SG-CB 3.24Å; C1128-C1191 CovalentContact SG-SG 2.04Å; C1128-C1191 PolarHBondContact SG-SG 2.86Å; K1163-C1191 PolarHBondContact NZ-O 2.93Å
1192F91.3Very high87.8Confident5 Ų535 Ų352%0.02220%0.202CC..EExtended strand (participates in β ladder)trans-154.3162.6175.656.6-84.9000111.4S1126 L1127 L1142 L1160 L1166 I1180 F1182 I1190 V1194S1126-F1192 WeakPolarHBondContact CA-O 3.49Å; L1127-F1192 HydrophobicContact CB-CE1 4.47Å; L1127-F1192 HydrophobicContact CB-CE2 4.23Å; L1127-F1192 HydrophobicContact CB-CZ 4.05Å; L1127-F1192 HydrophobicContact CD1-CE2 4.22Å; L1127-F1192 HydrophobicContact CD1-CZ 4.28Å; L1127-F1192 PolarHBondContact N-O 3.13Å; L1127-F1192 PolarHBondContact O-N 3.34Å; L1142-F1192 HydrophobicContact CD2-CE2 4.17Å; L1142-F1192 HydrophobicContact CD2-CZ 3.66Å; L1160-F1192 HydrophobicContact CD1-CB 4.45Å; L1160-F1192 HydrophobicContact CD1-CD2 3.97Å; L1160-F1192 HydrophobicContact CD1-CG 4.46Å; L1160-F1192 HydrophobicContact CD2-CB 3.77Å; L1166-F1192 HydrophobicContact CD1-CD1 4.43Å; I1180-F1192 HydrophobicContact CD1-CD2 4.21Å; I1180-F1192 HydrophobicContact CD1-CE2 3.45Å; I1180-F1192 VanDerWaalsContact CD1-CE2 3.45Å; I1180-F1192 HydrophobicContact CD1-CZ 4.05Å; I1180-F1192 HydrophobicContact CG2-CZ 4.5Å; F1182-F1192 HydrophobicContact CE1-CD1 4.49Å; F1182-F1192 AromaticContact CE1-CE1 3.76Å; F1182-F1192 HydrophobicContact CE1-CE1 3.76Å; F1182-F1192 HydrophobicContact CE1-CZ 4.46Å; F1182-F1192 AromaticContact CZ-CE1 3.53Å; F1182-F1192 HydrophobicContact CZ-CE1 3.53Å; F1182-F1192 AromaticContact CZ-CZ 3.8Å; F1182-F1192 HydrophobicContact CZ-CZ 3.8Å; I1190-F1192 HydrophobicContact CG2-CD1 4.33Å; F1192-V1194 HydrophobicContact CD2-CG2 4.08Å; F1192-V1194 HydrophobicContact CE2-CG2 4.1Å
1193N91.9Very high88Confident95 Ų9535.1 Ų35.151%0.50820%0.202SC..EExtended strand (participates in β ladder)trans-114.4138.1-180-62-22.1000109.3I1124 L1125 S1126I1124-N1193 HydrophobicContact CG2-CB 4.08Å; L1125-N1193 CarbonylContact O-C 3.59Å; L1125-N1193 WeakPolarHBondContact O-CA 3.46Å; S1126-N1193 WeakPolarHBondContact CA-OD1 3.35Å; S1126-N1193 VanDerWaalsContact CB-OD1 3.24Å; S1126-N1193 WeakPolarHBondContact CB-OD1 3.31Å; S1126-N1193 PolarHBondContact OG-OD1 3.15Å
1194V92.4Very high88.6Confident2 Ų236.7 Ų36.71%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-115.5123.2167.8-173.90000108.5L1125 M1144 I1152 L1157 I1180 F1192L1125-V1194 PolarHBondContact N-O 2.94Å; L1125-V1194 PolarHBondContact O-N 2.96Å; M1144-V1194 HydrophobicContact CE-CB 3.76Å; M1144-V1194 HydrophobicContact CE-CG1 3.42Å; M1144-V1194 VanDerWaalsContact CE-CG1 3.42Å; M1144-V1194 HydrophobicContact CE-CG2 4.08Å; M1144-V1194 HydrophobicContact SD-CB 4.06Å; M1144-V1194 HydrophobicContact SD-CG1 4.37Å; M1144-V1194 HydrophobicContact SD-CG2 4Å; I1152-V1194 HydrophobicContact CG2-CG1 3.83Å; L1157-V1194 HydrophobicContact CD1-CG1 3.9Å; L1157-V1194 HydrophobicContact CD1-CG2 4.05Å; I1180-V1194 HydrophobicContact CD1-CG2 4.06Å; F1192-V1194 HydrophobicContact CD2-CG2 4.08Å; F1192-V1194 HydrophobicContact CE2-CG2 4.1Å
1195S92Very high89.1Confident10 Ų1036 Ų367%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-94.1138.7178.2-170.80000110.3D1153D1153-S1195 PolarHBondContact N-O 2.81Å; D1153-S1195 VanDerWaalsContact N-O 3.09Å
1196S92.3Very high89.3Confident2 Ų239.1 Ų39.11%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-140.5146.6176.5-52.90000110.3L1123 V1151L1123-S1196 PolarHBondContact N-O 3Å; L1123-S1196 PolarHBondContact O-N 3.35Å; V1151-S1196 CarbonylContact O-C 3.59Å; V1151-S1196 VanDerWaalsContact O-CA 3.22Å; V1151-S1196 WeakPolarHBondContact O-CA 3.4Å; V1151-S1196 WeakPolarHBondContact O-CB 3.33Å
1197Q89.1Confident89.6Confident95 Ų9538.8 Ų38.844%0.44422%0.216SC..EExtended strand (participates in β ladder)trans-119.5143.9-179.6-63.9-179.74.400110.4N1121 F1150 V1151 A1199N1121-Q1197 CarbonylContact O-C 3.53Å; N1121-Q1197 WeakPolarHBondContact O-CA 3.46Å; F1150-Q1197 CarbonylContact C-O 3.6Å; F1150-Q1197 VanDerWaalsContact CA-O 3.31Å; F1150-Q1197 WeakPolarHBondContact CA-O 3.25Å; V1151-Q1197 PolarHBondContact N-O 2.76Å; V1151-Q1197 PolarHBondContact O-N 3.48Å; Q1197-A1199 PolarHBondContact O-N 2.84Å; Q1197-A1199 VanDerWaalsContact O-N 3.15Å
1198L88.1Confident90Very high18 Ų1835.8 Ų35.89%0.09420%0.195CC..EExtended strand (participates in β ladder)trans-71.8106175.2-174.276.3000109.2N1121 F1150 Y1200 V1232N1121-L1198 HydrophobicContact CB-CB 4.17Å; N1121-L1198 PolarHBondContact O-N 2.87Å; F1150-L1198 HydrophobicContact CD1-CB 4.23Å; F1150-L1198 HydrophobicContact CD2-CD1 3.86Å; F1150-L1198 HydrophobicContact CE1-CB 3.87Å; F1150-L1198 HydrophobicContact CE1-CD1 4.37Å; F1150-L1198 HydrophobicContact CE2-CD1 3.57Å; F1150-L1198 HydrophobicContact CG-CD1 4.39Å; F1150-L1198 HydrophobicContact CZ-CB 4.07Å; F1150-L1198 HydrophobicContact CZ-CD1 3.85Å; L1198-Y1200 VanDerWaalsContact CD1-O 3.25Å; L1198-Y1200 WeakPolarHBondContact CD1-O 3.44Å; L1198-V1232 HydrophobicContact CD2-CG2 3.68Å
1199A87.2Confident90.3Very high30 Ų3031.4 Ų31.425%0.24817%0.171CC..  trans-94.9-28.2176.700000112.2G1149 V1151 Q1197G1149-A1199 PolarHBondContact O-N 2.93Å; V1151-A1199 HydrophobicContact CB-CB 4.23Å; V1151-A1199 HydrophobicContact CG2-CB 3.55Å; Q1197-A1199 PolarHBondContact O-N 2.84Å; Q1197-A1199 VanDerWaalsContact O-N 3.15Å
1200Y89.3Confident90.5Very high30 Ų3028 Ų2812%0.11815%0.149CC..SBendtrans-128138.8-177.7-49.7-88.8000111.4H589 L590 P591 G1149 V1151 L1198 V1202H589-Y1200 AromaticContact CD2-CD1 3.83Å; H589-Y1200 AromaticContact CD2-CE1 3.84Å; H589-Y1200 AromaticContact CE1-CD1 3.92Å; H589-Y1200 AromaticContact CE1-CE1 3.16Å; H589-Y1200 WeakPolarHBondContact CE1-CE1 3.3Å; H589-Y1200 AromaticContact CE1-CZ 3.81Å; H589-Y1200 AromaticContact ND1-CE1 3.66Å; H589-Y1200 AromaticContact NE2-CD1 3.59Å; H589-Y1200 AromaticContact NE2-CE1 3.31Å; H589-Y1200 VanDerWaalsContact NE2-CE1 3.31Å; H589-Y1200 WeakPolarHBondContact NE2-CE1 3.35Å; L590-Y1200 VanDerWaalsContact C-CD1 3.47Å; L590-Y1200 WeakPolarHBondContact O-CE1 3.35Å; P591-Y1200 HydrophobicContact CB-CD1 4.31Å; P591-Y1200 HydrophobicContact CB-CD2 3.72Å; P591-Y1200 HydrophobicContact CB-CE2 4.25Å; P591-Y1200 HydrophobicContact CB-CG 3.76Å; P591-Y1200 HydrophobicContact CG-CG 4.44Å; G1149-Y1200 PolarHBondContact O-N 2.84Å; V1151-Y1200 HydrophobicContact CG2-CD2 4.42Å; V1151-Y1200 HydrophobicContact CG2-CE2 3.96Å; L1198-Y1200 VanDerWaalsContact CD1-O 3.25Å; L1198-Y1200 WeakPolarHBondContact CD1-O 3.44Å; Y1200-V1202 PolarHBondContact O-N 2.73Å
1201Q86.7Confident90.4Very high52 Ų5229.8 Ų29.824%0.24316%0.155CC..  trans-78.290.8-175.7-60.8-54.5-28.600111A601 A1237A601-Q1201 HydrophobicContact CB-CB 3.87Å; A601-Q1201 PolarHBondContact N-O 3.09Å; Q1201-A1237 HydrophobicContact CB-CB 3.81Å; Q1201-A1237 HydrophobicContact CG-CB 4.15Å
1202V89.9Confident90.4Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-115.3142.5174.5-173.60000108.6E598 M599 Y1200 Q1205E598-V1202 HydrophobicContact CB-CG1 4.1Å; M599-V1202 CarbonylContact O-C 3.53Å; M599-V1202 WeakPolarHBondContact O-CA 3.39Å; M599-V1202 WeakPolarHBondContact O-CG1 3.02Å; Y1200-V1202 PolarHBondContact O-N 2.73Å; V1202-Q1205 HydrophobicContact CB-CG 4.44Å; V1202-Q1205 HydrophobicContact CG1-CG 4.12Å; V1202-Q1205 PolarHBondContact O-NE2 3.13Å
1203S88.4Confident90.2Very high1 Ų127 Ų271%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-129.5168.5172.770.60000110.6M599 Q1205 V1232M599-S1203 WeakPolarHBondContact CB-OG 3.04Å; M599-S1203 VanDerWaalsContact CE-OG 3.24Å; M599-S1203 WeakPolarHBondContact CE-OG 3.23Å; M599-S1203 PolarHBondContact N-O 2.88Å; M599-S1203 PolarHBondContact O-N 2.65Å; S1203-Q1205 PolarHBondContact O-N 2.93Å; S1203-V1232 WeakPolarHBondContact CB-O 3.26Å
1204D87.5Confident89.7Confident61 Ų6122.5 Ų22.533%0.32611%0.113SC..SBendtrans53.835.9-170.6-65-11.6000112.9M599 R682 K1206M599-D1204 HydrophobicContact CE-CB 4.34Å; M599-D1204 VanDerWaalsContact CE-CG 3.44Å; M599-D1204 WeakPolarHBondContact CE-OD2 3.1Å; R682-D1204 IonicContact NH2-OD2 3.84Å; D1204-K1206 PolarHBondContact O-N 2.93Å
1205Q90.1Very high88.7Confident9 Ų922.5 Ų22.54%0.04211%0.112CC..PPolyproline II helixtrans-54.1130.4-176.3-66.890.5-22.600111.3E598 V1202 S1203 V1228E598-Q1205 WeakPolarHBondContact OE1-CA 3.43Å; V1202-Q1205 HydrophobicContact CB-CG 4.44Å; V1202-Q1205 HydrophobicContact CG1-CG 4.12Å; V1202-Q1205 PolarHBondContact O-NE2 3.13Å; S1203-Q1205 PolarHBondContact O-N 2.93Å; Q1205-V1228 HydrophobicContact CB-CG2 4.49Å
1206K91.3Very high87.4Confident66 Ų6622.7 Ų22.729%0.28711%0.112SC..PPolyproline II helixtrans-75.1154.2170.6-56.4-51177.4-166.10109.3K595 R596 E598 D1204 A1208K595-K1206 HydrophobicContact CB-CB 4.07Å; K595-K1206 HydrophobicContact CB-CG 3.83Å; K595-K1206 HydrophobicContact CD-CB 3.64Å; K595-K1206 HydrophobicContact CD-CG 4.34Å; K595-K1206 HydrophobicContact CG-CB 4.48Å; R596-K1206 WeakPolarHBondContact O-CE 3.49Å; E598-K1206 HydrophobicContact CG-CG 3.79Å; E598-K1206 PolarHBondContact OE1-N 3.24Å; D1204-K1206 PolarHBondContact O-N 2.93Å; K1206-A1208 PolarHBondContact O-N 2.6Å
1207P92.5Very high86.3Confident24 Ų2424.6 Ų24.616%0.15612%0.122CC..PPolyproline II helixtrans-53.1140.9174.812.3-22.8000112.4K595 D1225 Y1226 K1227K595-P1207 PolarHBondContact NZ-O 2.97Å; P1207-D1225 HydrophobicContact CB-CB 3.85Å; P1207-Y1226 CarbonylContact C-O 3.4Å; P1207-Y1226 VanDerWaalsContact CA-O 3.26Å; P1207-Y1226 WeakPolarHBondContact CA-O 2.84Å; P1207-K1227 HydrophobicContact CB-CD 4.34Å; P1207-K1227 HydrophobicContact CB-CG 3.66Å; P1207-K1227 HydrophobicContact CG-CD 4.46Å; P1207-K1227 VanDerWaalsContact CG-CE 3.46Å; P1207-K1227 HydrophobicContact CG-CG 4.29Å
1208A93.5Very high85.5Confident0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-93.9143.217500000110.5Q1145 P1147 K1206 D1225 Y1226Q1145-A1208 WeakPolarHBondContact O-CB 3.5Å; P1147-A1208 HydrophobicContact CB-CB 4.48Å; P1147-A1208 HydrophobicContact CG-CB 4.03Å; K1206-A1208 PolarHBondContact O-N 2.6Å; A1208-D1225 CarbonylContact O-C 3.55Å; A1208-D1225 WeakPolarHBondContact O-CA 3.21Å; A1208-D1225 WeakPolarHBondContact O-CB 3.39Å; A1208-Y1226 HydrophobicContact CB-CD1 4.06Å; A1208-Y1226 HydrophobicContact CB-CE1 3.66Å; A1208-Y1226 PolarHBondContact N-O 3.36Å; A1208-Y1226 WeakPolarHBondContact O-CD1 3.25Å; A1208-Y1226 PolarHBondContact O-N 3.38Å
1209N92.5Very high84.7Confident18 Ų1821.9 Ų21.910%0.09612%0.118CC..EExtended strand (participates in β ladder)trans-94142.2-171.1-59.7-15.2000110.8G714 F715 Q1145G714-N1209 PolarHBondContact O-ND2 3.5Å; F715-N1209 HydrophobicContact CD1-CB 4.26Å; F715-N1209 HydrophobicContact CE1-CB 3.99Å; Q1145-N1209 WeakPolarHBondContact CB-O 3.31Å; Q1145-N1209 PolarHBondContact N-O 2.87Å
1210I92.7Very high84.2Confident1 Ų123.5 Ų23.51%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-126.1134172.8-55.5178.3000107.9L1125 L1127 L1142 E1143 M1144 E1223 F1224 Y1226L1125-I1210 HydrophobicContact CD2-CD1 3.62Å; L1127-I1210 HydrophobicContact CD1-CD1 4.41Å; L1127-I1210 HydrophobicContact CD2-CD1 4.17Å; L1142-I1210 HydrophobicContact CD1-CG2 3.44Å; L1142-I1210 VanDerWaalsContact CD1-CG2 3.44Å; L1142-I1210 HydrophobicContact CG-CG2 4.22Å; E1143-I1210 WeakPolarHBondContact O-CA 3.21Å; M1144-I1210 HydrophobicContact CG-CD1 4.17Å; M1144-I1210 HydrophobicContact CG-CG1 4Å; I1210-E1223 WeakPolarHBondContact O-CA 3.48Å; I1210-F1224 HydrophobicContact CB-CD1 4.42Å; I1210-F1224 HydrophobicContact CB-CD2 4.16Å; I1210-F1224 HydrophobicContact CB-CE1 4.16Å; I1210-F1224 HydrophobicContact CB-CE2 3.86Å; I1210-F1224 HydrophobicContact CB-CG 4.45Å; I1210-F1224 HydrophobicContact CB-CZ 3.87Å; I1210-F1224 HydrophobicContact CD1-CD2 4.27Å; I1210-F1224 HydrophobicContact CD1-CE2 3.66Å; I1210-F1224 HydrophobicContact CD1-CZ 4.23Å; I1210-F1224 HydrophobicContact CG1-CE2 4.3Å; I1210-F1224 HydrophobicContact CG2-CE1 3.81Å; I1210-F1224 HydrophobicContact CG2-CE2 3.95Å; I1210-F1224 HydrophobicContact CG2-CZ 3.48Å; I1210-F1224 VanDerWaalsContact CG2-CZ 3.48Å; I1210-F1224 PolarHBondContact N-O 2.83Å; I1210-F1224 PolarHBondContact O-N 2.81Å; I1210-F1224 VanDerWaalsContact O-O 3.04Å; I1210-Y1226 HydrophobicContact CD1-CD1 3.48Å; I1210-Y1226 VanDerWaalsContact CD1-CD1 3.48Å; I1210-Y1226 HydrophobicContact CD1-CE1 3.75Å; I1210-Y1226 HydrophobicContact CD1-CG 4.33Å; I1210-Y1226 HydrophobicContact CG1-CD1 3.77Å; I1210-Y1226 HydrophobicContact CG1-CE1 3.87Å
1211R89.4Confident84.1Confident53 Ų5322.7 Ų22.720%0.212%0.116CC..EExtended strand (participates in β ladder)trans-132.7125.5177.7171171.5178.6-160.7-11.1109.9L1142 E1143 Y1213 R1221 I1222 E1223L1142-R1211 CarbonylContact C-O 3.52Å; L1142-R1211 WeakPolarHBondContact CA-O 3.31Å; E1143-R1211 PolarHBondContact N-O 2.82Å; E1143-R1211 PolarHBondContact O-N 2.79Å; R1211-Y1213 HydrophobicContact CG-CD1 3.75Å; R1211-Y1213 HydrophobicContact CG-CE1 4.24Å; R1211-R1221 VanDerWaalsContact CZ-NH1 3.31Å; R1211-I1222 WeakPolarHBondContact CA-O 3.46Å; R1211-E1223 HydrophobicContact CB-CG 3.91Å; R1211-E1223 WeakPolarHBondContact CD-OE1 3.46Å; R1211-E1223 HydrophobicContact CG-CG 3.68Å; R1211-E1223 IonicContact CZ-OE1 3.72Å; R1211-E1223 IonicContact NE-OE1 3.47Å; R1211-E1223 PolarHBondContact NE-OE1 3Å
1212L91.1Very high84.2Confident0 Ų020.8 Ų20.80%011%0.107CC..EExtended strand (participates in β ladder)trans-116.4130170.5172.465.8000109.1F1109 C1111 C1129 A1140 V1141 L1142 F1182 L1185 R1221 I1222F1109-L1212 HydrophobicContact CB-CD2 3.82Å; F1109-L1212 HydrophobicContact CB-CG 4.37Å; F1109-L1212 HydrophobicContact CD1-CD2 3.75Å; F1109-L1212 HydrophobicContact CD1-CG 4.24Å; F1109-L1212 HydrophobicContact CG-CD2 3.83Å; F1109-L1212 HydrophobicContact CG-CG 4.12Å; C1111-L1212 WeakPolarHBondContact SG-CD2 3.32Å; C1129-L1212 HydrophobicContact CB-CD2 4.07Å; A1140-L1212 HydrophobicContact CB-CD1 3.88Å; V1141-L1212 WeakPolarHBondContact O-CA 3.47Å; V1141-L1212 WeakPolarHBondContact O-CD1 3.36Å; L1142-L1212 HydrophobicContact CB-CD1 4.14Å; L1142-L1212 HydrophobicContact CD1-CB 3.74Å; L1142-L1212 HydrophobicContact CD1-CD1 4.47Å; F1182-L1212 HydrophobicContact CD2-CD1 4.36Å; F1182-L1212 HydrophobicContact CE2-CD1 4.25Å; L1185-L1212 HydrophobicContact CD1-CD1 4.07Å; L1185-L1212 HydrophobicContact CD1-CD2 3.78Å; L1185-L1212 HydrophobicContact CD1-CG 4.47Å; L1212-R1221 CarbonylContact O-C 3.58Å; L1212-R1221 WeakPolarHBondContact O-CA 3.34Å; L1212-R1221 VanDerWaalsContact O-CB 3.28Å; L1212-R1221 WeakPolarHBondContact O-CB 3.41Å; L1212-I1222 HydrophobicContact CB-CG2 3.74Å; L1212-I1222 HydrophobicContact CD2-CG2 4.22Å; L1212-I1222 HydrophobicContact CG-CG2 4.34Å; L1212-I1222 PolarHBondContact N-O 2.94Å; L1212-I1222 PolarHBondContact O-N 2.87Å
1213Y85.9Confident84.1Confident0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-145.1153.8178.757.5-78000112M774 P775 A1140 V1141 E1143 R1211 Y1215 K1220M774-Y1213 HydrophobicContact CG-CE2 4.13Å; M774-Y1213 HydrophobicContact SD-CE2 3.85Å; P775-Y1213 WeakPolarHBondContact CD-OH 3.36Å; A1140-Y1213 VanDerWaalsContact CA-O 3.29Å; A1140-Y1213 WeakPolarHBondContact CA-O 3.38Å; V1141-Y1213 HydrophobicContact CB-CE1 4.23Å; V1141-Y1213 HydrophobicContact CB-CE2 4.39Å; V1141-Y1213 HydrophobicContact CG1-CE1 4.38Å; V1141-Y1213 PolarHBondContact N-O 2.89Å; V1141-Y1213 PolarHBondContact O-N 2.86Å; V1141-Y1213 VanDerWaalsContact O-N 3.08Å; E1143-Y1213 HydrophobicContact CG-CE1 4.26Å; E1143-Y1213 VanDerWaalsContact OE1-CE1 3.25Å; E1143-Y1213 WeakPolarHBondContact OE1-CE1 3.33Å; E1143-Y1213 PolarHBondContact OE1-OH 2.83Å; R1211-Y1213 HydrophobicContact CG-CD1 3.75Å; R1211-Y1213 HydrophobicContact CG-CE1 4.24Å; Y1213-Y1215 PolarHBondContact O-N 2.93Å; Y1213-K1220 WeakPolarHBondContact CA-O 3.5Å
1214D81.6Confident84.2Confident1 Ų123.4 Ų23.41%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-70.6124.9165.6-170.6-61.4000107.6F1109 N1138 Y1216 D1217 P1218 K1220F1109-D1214 HydrophobicContact CE2-CB 3.96Å; F1109-D1214 HydrophobicContact CZ-CB 3.97Å; N1138-D1214 WeakPolarHBondContact CB-OD2 3.24Å; N1138-D1214 PolarHBondContact N-OD2 2.85Å; N1138-D1214 PolarHBondContact ND2-OD1 2.94Å; N1138-D1214 PolarHBondContact ND2-OD2 2.83Å; N1138-D1214 VanDerWaalsContact ND2-OD2 3.11Å; D1214-Y1216 PolarHBondContact O-N 2.94Å; D1214-Y1216 PolarHBondContact OD1-N 2.71Å; D1214-D1217 HydrophobicContact CB-CB 4.42Å; D1214-D1217 CarbonylContact O-C 3.52Å; D1214-D1217 PolarHBondContact OD1-N 3.21Å; D1214-P1218 VanDerWaalsContact O-CA 3.3Å; D1214-P1218 WeakPolarHBondContact O-CA 3.41Å; D1214-K1220 HydrophobicContact CB-CB 4.08Å; D1214-K1220 PolarHBondContact N-O 3.22Å
1215Y71.7Confident84.4Confident1 Ų123.3 Ų23.30%0.00412%0.118CC..SBendtrans-66.9-26.2-173.8-176-90.8000112.8M774 M1139 V1141 Y1213M774-Y1215 HydrophobicContact CB-CE2 3.95Å; M774-Y1215 HydrophobicContact CE-CE1 4.44Å; M774-Y1215 HydrophobicContact CE-CE2 4.21Å; M774-Y1215 HydrophobicContact SD-CD2 4.14Å; M774-Y1215 HydrophobicContact SD-CE2 4.19Å; M1139-Y1215 HydrophobicContact CE-CD1 3.29Å; M1139-Y1215 HydrophobicContact CE-CD2 3.39Å; M1139-Y1215 HydrophobicContact CE-CE1 3.88Å; M1139-Y1215 HydrophobicContact CE-CE2 3.95Å; M1139-Y1215 HydrophobicContact CE-CG 3.01Å; M1139-Y1215 WeakPolarHBondContact O-CB 3.49Å; M1139-Y1215 PolarHBondContact O-N 3.1Å; V1141-Y1215 HydrophobicContact CG2-CD2 3.75Å; V1141-Y1215 HydrophobicContact CG2-CG 4.45Å; Y1213-Y1215 PolarHBondContact O-N 2.93Å
1216Y64Low84.6Confident14 Ų1423 Ų236%0.05512%0.117CC..SBendtrans-102-21.3-176.8-56.3-68.6000113.5H867 L870 P979 N1138 M1139 D1214 P1218H867-Y1216 VanDerWaalsContact CA-OH 3.3Å; H867-Y1216 WeakPolarHBondContact CA-OH 3.3Å; H867-Y1216 HydrophobicContact CB-CE2 4.48Å; H867-Y1216 WeakPolarHBondContact CB-OH 3.39Å; H867-Y1216 PolarHBondContact ND1-OH 3.01Å; H867-Y1216 VanDerWaalsContact ND1-OH 3.1Å; L870-Y1216 HydrophobicContact CB-CE1 4.22Å; L870-Y1216 HydrophobicContact CD2-CE1 4.41Å; L870-Y1216 HydrophobicContact CG-CE1 3.85Å; P979-Y1216 WeakPolarHBondContact CG-O 3.5Å; N1138-Y1216 HydrophobicContact CB-CD2 3.63Å; N1138-Y1216 HydrophobicContact CB-CE2 4.26Å; M1139-Y1216 HydrophobicContact CB-CE2 3.8Å; M1139-Y1216 HydrophobicContact CE-CE2 4.36Å; D1214-Y1216 PolarHBondContact O-N 2.94Å; D1214-Y1216 PolarHBondContact OD1-N 2.71Å; Y1216-P1218 VanDerWaalsContact C-CD 3.47Å
1217D70.2Confident84.6Confident42 Ų4225.8 Ų25.823%0.22513%0.129CC..  trans-125.772.8170.7-172.8-0.1000109.4D1214 A1219 K1220D1214-D1217 HydrophobicContact CB-CB 4.42Å; D1214-D1217 CarbonylContact O-C 3.52Å; D1214-D1217 PolarHBondContact OD1-N 3.21Å; D1217-A1219 PolarHBondContact O-N 2.9Å; D1217-K1220 HydrophobicContact CB-CD 4.18Å; D1217-K1220 HydrophobicContact CB-CG 4.48Å; D1217-K1220 WeakPolarHBondContact O-CB 3.28Å; D1217-K1220 PolarHBondContact O-N 2.85Å; D1217-K1220 VanDerWaalsContact OD2-CD 3.27Å; D1217-K1220 WeakPolarHBondContact OD2-CD 3.45Å; D1217-K1220 WeakPolarHBondContact OD2-CE 3.25Å; D1217-K1220 IonicContact OD2-NZ 3.03Å; D1217-K1220 PolarHBondContact OD2-NZ 2.89Å
1218P71.9Confident84.4Confident5 Ų525.3 Ų25.33%0.03213%0.125CC..THydrogen-bonded Turntrans-61.4-14-172.7-24.435.2000113.8M774 Y974 D1214 Y1216 K1220 R1221M774-P1218 HydrophobicContact SD-CG 4.48Å; Y974-P1218 HydrophobicContact CE1-CB 3.96Å; Y974-P1218 WeakPolarHBondContact OH-CB 3.47Å; D1214-P1218 VanDerWaalsContact O-CA 3.3Å; D1214-P1218 WeakPolarHBondContact O-CA 3.41Å; Y1216-P1218 VanDerWaalsContact C-CD 3.47Å; P1218-K1220 PolarHBondContact O-N 2.83Å; P1218-R1221 VanDerWaalsContact O-CZ 3.24Å; P1218-R1221 PolarHBondContact O-NE 3.01Å; P1218-R1221 PolarHBondContact O-NH2 3.34Å
1219A70.8Confident84Confident51 Ų5129 Ų2942%0.42115%0.151SC..THydrogen-bonded Turntrans-62.4-31171.500000111.7D1217 R1221D1217-A1219 PolarHBondContact O-N 2.9Å; A1219-R1221 PolarHBondContact O-N 2.9Å
1220K78Confident83.4Confident65 Ų6532.9 Ų32.928%0.28317%0.168SC..SBendtrans-78.8103.2169.6-66.5176.8175.8135.30109.9P1108 F1109 Y1213 D1214 D1217 P1218P1108-K1220 HydrophobicContact CG-CB 3.9Å; P1108-K1220 HydrophobicContact CG-CD 4.02Å; P1108-K1220 HydrophobicContact CG-CG 3.99Å; F1109-K1220 HydrophobicContact CE2-CB 4.16Å; F1109-K1220 WeakPolarHBondContact CE2-O 3.3Å; Y1213-K1220 WeakPolarHBondContact CA-O 3.5Å; D1214-K1220 HydrophobicContact CB-CB 4.08Å; D1214-K1220 PolarHBondContact N-O 3.22Å; D1217-K1220 HydrophobicContact CB-CD 4.18Å; D1217-K1220 HydrophobicContact CB-CG 4.48Å; D1217-K1220 WeakPolarHBondContact O-CB 3.28Å; D1217-K1220 PolarHBondContact O-N 2.85Å; D1217-K1220 VanDerWaalsContact OD2-CD 3.27Å; D1217-K1220 WeakPolarHBondContact OD2-CD 3.45Å; D1217-K1220 WeakPolarHBondContact OD2-CE 3.25Å; D1217-K1220 IonicContact OD2-NZ 3.03Å; D1217-K1220 PolarHBondContact OD2-NZ 2.89Å; P1218-K1220 PolarHBondContact O-N 2.83Å
1221R85.4Confident82.6Confident13 Ų1337.9 Ų37.95%0.04919%0.191CC..EExtended strand (participates in β ladder)trans-159.8164-178.873.7171.768.5151.623.9113.7Y974 N1106 R1211 L1212 P1218 A1219 E1223Y974-R1221 VanDerWaalsContact CD2-NH2 3.28Å; Y974-R1221 VanDerWaalsContact CG-NH2 3.33Å; Y974-R1221 PolarHBondContact OH-NH2 2.86Å; N1106-R1221 CarbonylContact C-O 3.55Å; N1106-R1221 WeakPolarHBondContact CB-O 3.34Å; N1106-R1221 CarbonylContact O-C 3.59Å; R1211-R1221 VanDerWaalsContact CZ-NH1 3.31Å; L1212-R1221 CarbonylContact O-C 3.58Å; L1212-R1221 WeakPolarHBondContact O-CA 3.34Å; L1212-R1221 VanDerWaalsContact O-CB 3.28Å; L1212-R1221 WeakPolarHBondContact O-CB 3.41Å; P1218-R1221 VanDerWaalsContact O-CZ 3.24Å; P1218-R1221 PolarHBondContact O-NE 3.01Å; P1218-R1221 PolarHBondContact O-NH2 3.34Å; A1219-R1221 PolarHBondContact O-N 2.9Å; R1221-E1223 WeakPolarHBondContact CD-OE1 3.3Å; R1221-E1223 IonicContact CZ-OE1 3.04Å; R1221-E1223 IonicContact NE-OE1 2.61Å; R1221-E1223 IonicContact NH1-OE1 2.81Å; R1221-E1223 PolarHBondContact NH1-OE1 3.32Å
1222I89.3Confident81.9Confident11 Ų1136 Ų366%0.05619%0.185CC..EExtended strand (participates in β ladder)trans-129.4135.8165.8-178.6160.2000109.3N1105 F1109 R1211 L1212 F1224N1105-I1222 WeakPolarHBondContact OD1-CD1 3.36Å; N1105-I1222 WeakPolarHBondContact OD1-CG1 3.26Å; F1109-I1222 HydrophobicContact CB-CB 4.26Å; F1109-I1222 HydrophobicContact CB-CG2 3.61Å; R1211-I1222 WeakPolarHBondContact CA-O 3.46Å; L1212-I1222 HydrophobicContact CB-CG2 3.74Å; L1212-I1222 HydrophobicContact CD2-CG2 4.22Å; L1212-I1222 HydrophobicContact CG-CG2 4.34Å; L1212-I1222 PolarHBondContact N-O 2.94Å; L1212-I1222 PolarHBondContact O-N 2.87Å; I1222-F1224 HydrophobicContact CD1-CD1 4.45Å; I1222-F1224 HydrophobicContact CG1-CD1 3.87Å; I1222-F1224 HydrophobicContact CG1-CE1 4.38Å; I1222-F1224 HydrophobicContact CG2-CE1 4.27Å
1223E88.5Confident81.2Confident24 Ų2439.8 Ų39.811%0.11221%0.208CC..EExtended strand (participates in β ladder)trans-125.6128.6174.8-64.2-170.5-146.400108.1F715 L1103 I1210 R1211 R1221F715-E1223 HydrophobicContact CD1-CB 3.98Å; F715-E1223 WeakPolarHBondContact CD1-OE2 3.47Å; F715-E1223 HydrophobicContact CE1-CB 3.87Å; L1103-E1223 HydrophobicContact CD1-CB 3.96Å; L1103-E1223 HydrophobicContact CD1-CG 4.15Å; L1103-E1223 WeakPolarHBondContact CD1-OE2 3.2Å; I1210-E1223 WeakPolarHBondContact O-CA 3.48Å; R1211-E1223 HydrophobicContact CB-CG 3.91Å; R1211-E1223 WeakPolarHBondContact CD-OE1 3.46Å; R1211-E1223 HydrophobicContact CG-CG 3.68Å; R1211-E1223 IonicContact CZ-OE1 3.72Å; R1211-E1223 IonicContact NE-OE1 3.47Å; R1211-E1223 PolarHBondContact NE-OE1 3Å; R1221-E1223 WeakPolarHBondContact CD-OE1 3.3Å; R1221-E1223 IonicContact CZ-OE1 3.04Å; R1221-E1223 IonicContact NE-OE1 2.61Å; R1221-E1223 IonicContact NH1-OE1 2.81Å; R1221-E1223 PolarHBondContact NH1-OE1 3.32Å
1224F90.6Very high80.7Confident32 Ų3240.2 Ų40.214%0.1421%0.21CC..EExtended strand (participates in β ladder)trans-150.6169.7-176.757.8-78.2000109.9C1111 Q1113 L1127 I1210 I1222C1111-F1224 HydrophobicContact CB-CE1 3.71Å; C1111-F1224 HydrophobicContact CB-CE2 4.49Å; C1111-F1224 HydrophobicContact CB-CZ 3.52Å; Q1113-F1224 HydrophobicContact CB-CE2 4.37Å; L1127-F1224 HydrophobicContact CD2-CE2 4.16Å; L1127-F1224 HydrophobicContact CD2-CZ 4.27Å; I1210-F1224 HydrophobicContact CB-CD1 4.42Å; I1210-F1224 HydrophobicContact CB-CD2 4.16Å; I1210-F1224 HydrophobicContact CB-CE1 4.16Å; I1210-F1224 HydrophobicContact CB-CE2 3.86Å; I1210-F1224 HydrophobicContact CB-CG 4.45Å; I1210-F1224 HydrophobicContact CB-CZ 3.87Å; I1210-F1224 HydrophobicContact CD1-CD2 4.27Å; I1210-F1224 HydrophobicContact CD1-CE2 3.66Å; I1210-F1224 HydrophobicContact CD1-CZ 4.23Å; I1210-F1224 HydrophobicContact CG1-CE2 4.3Å; I1210-F1224 HydrophobicContact CG2-CE1 3.81Å; I1210-F1224 HydrophobicContact CG2-CE2 3.95Å; I1210-F1224 HydrophobicContact CG2-CZ 3.48Å; I1210-F1224 VanDerWaalsContact CG2-CZ 3.48Å; I1210-F1224 PolarHBondContact N-O 2.83Å; I1210-F1224 PolarHBondContact O-N 2.81Å; I1210-F1224 VanDerWaalsContact O-O 3.04Å; I1222-F1224 HydrophobicContact CD1-CD1 4.45Å; I1222-F1224 HydrophobicContact CG1-CD1 3.87Å; I1222-F1224 HydrophobicContact CG1-CE1 4.38Å; I1222-F1224 HydrophobicContact CG2-CE1 4.27Å
1225D91.9Very high80.3Confident59 Ų5942.3 Ų42.332%0.31622%0.221SC..EExtended strand (participates in β ladder)trans-128.2162.2-178.573.322.4000112.4F715 Q1113 P1207 A1208F715-D1225 HydrophobicContact CZ-CB 4.24Å; Q1113-D1225 PolarHBondContact NE2-O 3.42Å; P1207-D1225 HydrophobicContact CB-CB 3.85Å; A1208-D1225 CarbonylContact O-C 3.55Å; A1208-D1225 WeakPolarHBondContact O-CA 3.21Å; A1208-D1225 WeakPolarHBondContact O-CB 3.39Å
1226Y93.4Very high80.2Confident3 Ų348 Ų481%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-139.8155.217376.3-73.6000111.3V1115 L1123 L1125 Q1145 P1147 P1207 A1208 I1210V1115-Y1226 HydrophobicContact CG2-CD2 3.95Å; L1123-Y1226 HydrophobicContact CD2-CE2 4.06Å; L1125-Y1226 HydrophobicContact CB-CE2 4.46Å; L1125-Y1226 HydrophobicContact CD1-CD2 4.18Å; L1125-Y1226 HydrophobicContact CD1-CE2 4.42Å; L1125-Y1226 HydrophobicContact CD1-CG 4.47Å; L1125-Y1226 HydrophobicContact CD2-CD1 4.15Å; L1125-Y1226 HydrophobicContact CD2-CD2 4.21Å; L1125-Y1226 HydrophobicContact CD2-CE1 3.8Å; L1125-Y1226 HydrophobicContact CD2-CE2 3.85Å; L1125-Y1226 HydrophobicContact CD2-CG 4.33Å; L1125-Y1226 HydrophobicContact CG-CE2 4.48Å; Q1145-Y1226 VanDerWaalsContact O-CE1 3.28Å; Q1145-Y1226 WeakPolarHBondContact O-CE1 3.04Å; Q1145-Y1226 PolarHBondContact O-OH 2.86Å; Q1145-Y1226 VanDerWaalsContact O-OH 3.08Å; P1147-Y1226 WeakPolarHBondContact CD-OH 3.45Å; P1147-Y1226 HydrophobicContact CG-CE2 4.1Å; P1207-Y1226 CarbonylContact C-O 3.4Å; P1207-Y1226 VanDerWaalsContact CA-O 3.26Å; P1207-Y1226 WeakPolarHBondContact CA-O 2.84Å; A1208-Y1226 HydrophobicContact CB-CD1 4.06Å; A1208-Y1226 HydrophobicContact CB-CE1 3.66Å; A1208-Y1226 PolarHBondContact N-O 3.36Å; A1208-Y1226 WeakPolarHBondContact O-CD1 3.25Å; A1208-Y1226 PolarHBondContact O-N 3.38Å; I1210-Y1226 HydrophobicContact CD1-CD1 3.48Å; I1210-Y1226 VanDerWaalsContact CD1-CD1 3.48Å; I1210-Y1226 HydrophobicContact CD1-CE1 3.75Å; I1210-Y1226 HydrophobicContact CD1-CG 4.33Å; I1210-Y1226 HydrophobicContact CG1-CD1 3.77Å; I1210-Y1226 HydrophobicContact CG1-CE1 3.87Å
1227K91.2Very high80.4Confident125 Ų12547.9 Ų47.954%0.54325%0.254SS..  trans-123154.9179.9-62.5-178.5-173.3-1770109.8P1207P1207-K1227 HydrophobicContact CB-CD 4.34Å; P1207-K1227 HydrophobicContact CB-CG 3.66Å; P1207-K1227 HydrophobicContact CG-CD 4.46Å; P1207-K1227 VanDerWaalsContact CG-CE 3.46Å; P1207-K1227 HydrophobicContact CG-CG 4.29Å
1228V89.2Confident80.3Confident13 Ų1346.1 Ų46.18%0.07925%0.245CC..  trans-61.5140.6165.6-63.70000109.5L1123 P1147 F1150 Q1205 Q1231L1123-V1228 HydrophobicContact CD1-CG1 4.49Å; L1123-V1228 HydrophobicContact CD2-CG1 4.3Å; P1147-V1228 HydrophobicContact CB-CG1 3.98Å; P1147-V1228 HydrophobicContact CG-CG1 3.84Å; F1150-V1228 HydrophobicContact CD2-CG1 4.48Å; F1150-V1228 HydrophobicContact CE2-CG1 3.76Å; F1150-V1228 HydrophobicContact CZ-CG1 4.18Å; Q1205-V1228 HydrophobicContact CB-CG2 4.49Å; V1228-Q1231 HydrophobicContact CG2-CG 3.63Å
1229S84Confident79.9Confident78 Ų7849.1 Ų49.155%0.54528%0.277SS..SBendtrans-87.8-24.3178.255.90000112.4Q1117Q1117-S1229 VanDerWaalsContact CB-OG 3.29Å; Q1117-S1229 WeakPolarHBondContact CB-OG 3.32Å; Q1117-S1229 PolarHBondContact OE1-OG 2.9Å
1230K81.7Confident79.4Confident100 Ų10049.3 Ų49.344%0.43528%0.284SS..SBendtrans-123113.3171.8-60.4179.6-176.5177.40108.6Q1117 R1118Q1117-K1230 HydrophobicContact CG-CB 4.45Å; Q1117-K1230 PolarHBondContact NE2-O 2.96Å; Q1117-K1230 WeakPolarHBondContact O-CE 3.33Å; Q1117-K1230 PolarHBondContact O-NZ 3.16Å; Q1117-K1230 PolarHBondContact OE1-O 2.98Å; R1118-K1230 PolarHBondContact O-NZ 2.82Å
1231Q75.1Confident78.8Confident105 Ų10550 Ų5049%0.49129%0.291SS..PPolyproline II helixtrans-83.8146.1175.9-72.7-178.7-14.200110.7V1228V1228-Q1231 HydrophobicContact CG2-CG 3.63Å
1232V75.2Confident77.9Confident15 Ų1549.4 Ų49.49%0.09129%0.288CS..PPolyproline II helixtrans-78.6127169.2-1800000107.8P1120 L1198 S1203 A1237P1120-V1232 HydrophobicContact CB-CG2 4.23Å; L1198-V1232 HydrophobicContact CD2-CG2 3.68Å; S1203-V1232 WeakPolarHBondContact CB-O 3.26Å; V1232-A1237 HydrophobicContact CG1-CB 3.63Å
1233V76.8Confident76.8Confident79 Ų7950 Ų5048%0.47929%0.29SS..PPolyproline II helixtrans-77.2134.1169.6-1750000107.6D1235 D1236 A1237V1233-D1235 HydrophobicContact CG1-CB 4.22Å; V1233-D1235 PolarHBondContact O-N 3.3Å; V1233-D1235 VanDerWaalsContact O-N 3.1Å; V1233-D1236 WeakPolarHBondContact O-CB 3.22Å; V1233-D1236 PolarHBondContact O-N 3.42Å; V1233-A1237 PolarHBondContact O-N 3.36Å
1234I75.2Confident75.6Confident9 Ų949.5 Ų49.55%0.04629%0.288CS..Hα-helixtrans-55.8-32.7-175.4-162.869.6000112.6M599 A601 P680 A1237 C1238 W1243M599-I1234 HydrophobicContact CB-CD1 4.25Å; A601-I1234 HydrophobicContact CB-CD1 3.82Å; P680-I1234 HydrophobicContact CB-CD1 4.49Å; P680-I1234 HydrophobicContact CB-CG1 4.04Å; I1234-A1237 WeakPolarHBondContact O-CB 3.47Å; I1234-A1237 PolarHBondContact O-N 3.01Å; I1234-C1238 PolarHBondContact O-N 3.49Å; I1234-W1243 HydrophobicContact CG2-CH2 3.74Å; I1234-W1243 HydrophobicContact CG2-CZ2 4.5Å
1235D71.4Confident74Confident44 Ų4455.1 Ų55.124%0.23532%0.315CS..Hα-helixtrans-61-46.1176-64.329.9000111.8V1233 C1238 G1239 G1240 W1243V1233-D1235 HydrophobicContact CG1-CB 4.22Å; V1233-D1235 PolarHBondContact O-N 3.3Å; V1233-D1235 VanDerWaalsContact O-N 3.1Å; D1235-C1238 PolarHBondContact O-N 2.83Å; D1235-G1239 PolarHBondContact O-N 3.36Å; D1235-G1240 PolarHBondContact O-N 2.98Å; D1235-W1243 HydrophobicContact CB-CZ3 4.45Å; D1235-W1243 WeakPolarHBondContact OD1-CH2 3.02Å; D1235-W1243 WeakPolarHBondContact OD1-CZ3 3.34Å
1236D71Confident72.3Confident121 Ų12156.1 Ų56.165%0.64732%0.323SS*.Hα-helixtrans-69.5-37.3178.8-63.6-26000110.9V1233 C1238 G1239V1233-D1236 WeakPolarHBondContact O-CB 3.22Å; V1233-D1236 PolarHBondContact O-N 3.42Å; D1236-C1238 PolarHBondContact O-N 3.11Å; D1236-G1239 PolarHBondContact O-N 3.14Å
1237A68.7Low70.1Confident11 Ų1157.6 Ų57.69%0.09133%0.334CS..Hα-helixtrans-57.1-30.7176.800000112.5A601 Q1201 V1232 V1233 I1234A601-A1237 HydrophobicContact CB-CB 4.46Å; Q1201-A1237 HydrophobicContact CB-CB 3.81Å; Q1201-A1237 HydrophobicContact CG-CB 4.15Å; V1232-A1237 HydrophobicContact CG1-CB 3.63Å; V1233-A1237 PolarHBondContact O-N 3.36Å; I1234-A1237 WeakPolarHBondContact O-CB 3.47Å; I1234-A1237 PolarHBondContact O-N 3.01Å
1238C66.8Low67.7Low6 Ų655.9 Ų55.94%0.04134%0.338CS..THydrogen-bonded Turntrans-95.1-6.1178-79.30000114.5F678 I1234 D1235 D1236 G1240 D1241 C1242F678-C1238 HydrophobicContact CB-CB 4.44Å; F678-C1238 WeakPolarHBondContact CB-SG 3.48Å; I1234-C1238 PolarHBondContact O-N 3.49Å; D1235-C1238 PolarHBondContact O-N 2.83Å; D1236-C1238 PolarHBondContact O-N 3.11Å; C1238-G1240 PolarHBondContact O-N 3.43Å; C1238-D1241 PolarHBondContact O-N 2.76Å; C1238-D1241 VanDerWaalsContact O-N 3.13Å; C1238-C1242 HydrophobicContact CB-CB 3.5Å; C1238-C1242 WeakPolarHBondContact CB-SG 3.16Å; C1238-C1242 VanDerWaalsContact SG-CA 3.58Å; C1238-C1242 WeakPolarHBondContact SG-CB 3.48Å; C1238-C1242 CovalentContact SG-SG 2.02Å; C1238-C1242 PolarHBondContact SG-SG 3.32Å
1239G64.1Low65.5Low68 Ų6859.3 Ų59.370%0.70137%0.367SS*.THydrogen-bonded Turntrans58.827.6-171.300000114.1D1235 D1236D1235-G1239 PolarHBondContact O-N 3.36Å; D1236-G1239 PolarHBondContact O-N 3.14Å
1240G60.5Low63.2Low55 Ų5558 Ų5857%0.56736%0.361SS*.THydrogen-bonded Turntrans89.8-11.9-175.600000116.1D1235 C1238 C1242D1235-G1240 PolarHBondContact O-N 2.98Å; C1238-G1240 PolarHBondContact O-N 3.43Å; G1240-C1242 VanDerWaalsContact C-N 3.33Å; G1240-C1242 PolarHBondContact O-N 2.97Å
1241D64.8Low60.9Low80 Ų8059.9 Ų59.943%0.42838%0.376SS..THydrogen-bonded Turntrans-83.3-1.1-174.8-80.6-23.5000114.9C1238 W1243 P1244C1238-D1241 PolarHBondContact O-N 2.76Å; C1238-D1241 VanDerWaalsContact O-N 3.13Å; D1241-W1243 VanDerWaalsContact C-N 3.27Å; D1241-W1243 PolarHBondContact O-N 3.01Å; D1241-P1244 WeakPolarHBondContact O-CD 3.5Å
1242C66.3Low58.8Low0 Ų060.5 Ų60.50%038%0.381CS..THydrogen-bonded Turntrans-59.6-35.2-179.7-102.70000112.6P680 C1238 G1240P680-C1242 HydrophobicContact CG-CB 4.44Å; C1238-C1242 HydrophobicContact CB-CB 3.5Å; C1238-C1242 WeakPolarHBondContact CB-SG 3.16Å; C1238-C1242 VanDerWaalsContact SG-CA 3.58Å; C1238-C1242 WeakPolarHBondContact SG-CB 3.48Å; C1238-C1242 CovalentContact SG-SG 2.02Å; C1238-C1242 PolarHBondContact SG-SG 3.32Å; G1240-C1242 VanDerWaalsContact C-N 3.33Å; G1240-C1242 PolarHBondContact O-N 2.97Å
1243W67.4Low56.8Low23 Ų2363.8 Ų63.89%0.08740%0.404CS..SBendtrans-13680.1-179.4-54.7-77.3000111.1V631 K633 P680 I1234 D1235 D1241V631-W1243 HydrophobicContact CG1-CZ2 4.21Å; V631-W1243 PolarHBondContact O-NE1 3.24Å; K633-W1243 HydrophobicContact CB-CB 4.26Å; K633-W1243 HydrophobicContact CB-CD2 3.64Å; K633-W1243 HydrophobicContact CB-CE3 4.07Å; K633-W1243 HydrophobicContact CB-CG 3.74Å; K633-W1243 HydrophobicContact CD-CB 4.06Å; K633-W1243 HydrophobicContact CD-CD2 4.4Å; K633-W1243 HydrophobicContact CD-CE3 4.27Å; K633-W1243 HydrophobicContact CD-CG 4.36Å; K633-W1243 HydrophobicContact CG-CB 4.41Å; K633-W1243 HydrophobicContact CG-CD2 3.85Å; K633-W1243 HydrophobicContact CG-CE3 3.75Å; K633-W1243 HydrophobicContact CG-CG 4.18Å; K633-W1243 HydrophobicContact CG-CZ3 4.25Å; P680-W1243 HydrophobicContact CG-CZ2 4.09Å; I1234-W1243 HydrophobicContact CG2-CH2 3.74Å; I1234-W1243 HydrophobicContact CG2-CZ2 4.5Å; D1235-W1243 HydrophobicContact CB-CZ3 4.45Å; D1235-W1243 WeakPolarHBondContact OD1-CH2 3.02Å; D1235-W1243 WeakPolarHBondContact OD1-CZ3 3.34Å; D1241-W1243 VanDerWaalsContact C-N 3.27Å; D1241-W1243 PolarHBondContact O-N 3.01Å
1244P62.3Low54.7Low13 Ų1368.8 Ų68.88%0.08442%0.423CS..PPolyproline II helixtrans-61150.3171.89-4000110.1L646 N648 R650 F665 D1241L646-P1244 HydrophobicContact CD2-CB 4.18Å; N648-P1244 HydrophobicContact CB-CB 4.44Å; N648-P1244 VanDerWaalsContact O-CB 3.28Å; N648-P1244 WeakPolarHBondContact O-CB 3.01Å; R650-P1244 HydrophobicContact CB-CG 4.24Å; F665-P1244 HydrophobicContact CD1-CG 4.33Å; D1241-P1244 WeakPolarHBondContact O-CD 3.5Å
1245E57.9Low52.6Low150 Ų15073.3 Ų73.370%0.70146%0.455SS*.PPolyproline II helixtrans-54.4143.4178.9-71.6-166.6154.600111.4L646 R650 S1247L646-E1245 HydrophobicContact CD2-CB 3.79Å; L646-E1245 HydrophobicContact CD2-CG 4.07Å; R650-E1245 PolarHBondContact N-O 3.23Å; E1245-S1247 PolarHBondContact O-N 3.13Å
1246V54.3Low50.8Low80 Ų8076.2 Ų76.249%0.48548%0.479SS..BIsolated β-bridgetrans-73.5118.6174.6-178.70000107.7R650 S1248R650-V1246 WeakPolarHBondContact O-CA 3.07Å; V1246-S1248 PolarHBondContact O-N 3.18Å
1247S47.8Very low48.8Very low35 Ų3575.6 Ų75.625%0.24548%0.484CS..PPolyproline II helixtrans-63.2116.2178.290.40000109.2R650 E1245 A1249 A1250R650-S1247 PolarHBondContact O-N 2.88Å; E1245-S1247 PolarHBondContact O-N 3.13Å; S1247-A1249 PolarHBondContact O-N 3.08Å; S1247-A1249 VanDerWaalsContact O-N 3.11Å; S1247-A1250 PolarHBondContact O-N 3.18Å
1248S41.5Very low47.1Very low89 Ų8980 Ų8062%0.62252%0.52SS*.G310 helixtrans-60.9-18.6178.543.50000113.2V1246 A1250 L1251V1246-S1248 PolarHBondContact O-N 3.18Å; S1248-A1250 PolarHBondContact O-N 3Å; S1248-A1250 VanDerWaalsContact O-N 3.1Å; S1248-L1251 PolarHBondContact O-N 3.26Å; S1248-L1251 VanDerWaalsContact O-N 3.17Å
1249A42.6Very low45.3Very low84 Ų8488 Ų8869%0.69456%0.559SS**G310 helixtrans-58.9-21176.600000114.3S1247S1247-A1249 PolarHBondContact O-N 3.08Å; S1247-A1249 VanDerWaalsContact O-N 3.11Å
1250A36.6Very low43.7Very low50 Ų5091.6 Ų91.641%0.41357%0.568SS.*G310 helixtrans-89-22.5178.100000114.4T651 S1247 S1248 S1253T651-A1250 HydrophobicContact CG2-CB 4.4Å; S1247-A1250 PolarHBondContact O-N 3.18Å; S1248-A1250 PolarHBondContact O-N 3Å; S1248-A1250 VanDerWaalsContact O-N 3.1Å; A1250-S1253 PolarHBondContact O-OG 3.3Å
1251L32.7Very low42.2Very low141 Ų14198.6 Ų98.674%0.73859%0.586SS**THydrogen-bonded Turntrans-82.9-18.6-179.2-83.4156.4000113.2S1248S1248-L1251 PolarHBondContact O-N 3.26Å; S1248-L1251 VanDerWaalsContact O-N 3.17Å
1252I31.3Very low40.8Very low117 Ų11799.2 Ų99.260%0.660%0.597SS**G310 helixtrans-91.1-5.7-178.2-56.7177000112.5Q1254I1252-Q1254 PolarHBondContact O-N 3.38Å; I1252-Q1254 VanDerWaalsContact O-N 3.17Å
1253S33.5Very low39.6Very low84 Ų84105.8 Ų105.859%0.58763%0.63SS**G310 helixtrans-78.27.9178.267.90000115.5A1250A1250-S1253 PolarHBondContact O-OG 3.3Å
1254Q32.2Very low38.3Very low185 Ų185110.2 Ų110.286%0.86466%0.659SS**G310 helixtrans-107.15176.4-78.9-167.9-9.900115.8I1252I1252-Q1254 PolarHBondContact O-N 3.38Å; I1252-Q1254 VanDerWaalsContact O-N 3.17Å
1255S31.7Very low37.4Very low104 Ų104113.2 Ų113.273%0.72768%0.681SS**SBendtrans-116.27.5177.961.70000116.3
1256S32.3Very low36.8Very low104 Ų104112 Ų11273%0.72768%0.678SS**SBendtrans-139.556.1176.654.90000113.7
1257S30.4Very low36.4Very low108 Ų108114.9 Ų114.976%0.75569%0.686SS**  trans-153.453.6159.268.60000110.7
1258A31.2Very low36.3Very low104 Ų104122 Ų12286%0.8671%0.708SS**  trans-108.252.9165.700000109.4
1259M29.6Very low36.8Very low174 Ų174122.7 Ų122.786%0.85770%0.704SS**SBendtrans-162.3106.3163.8-127.5175.5161.900108.5
1260T30.8Very low37.4Very low143 Ų143123.1 Ų123.188%0.87770%0.697SS**  trans131.341.7173.655.90000113S1262T1260-S1262 PolarHBondContact O-N 2.02Å
1261Q29.8Very low38.2Very low202 Ų202126.1 Ų126.194%0.94471%0.706SS**  trans-83.891.2154.7-77.5-175.4-15.500108.4
1262S35Very low39.5Very low94 Ų94123.3 Ų123.366%0.65769%0.694SS**SBendtrans-158.56.9161.7650000117.7T1260T1260-S1262 PolarHBondContact O-N 2.02Å
1263I41.3Very low41.1Very low138 Ų138121.1 Ų121.171%0.70869%0.687SS**SBendtrans-118.9-5.6-179.3-57.5-179.3000114.7S1265I1263-S1265 PolarHBondContact O-N 3.31Å
1264V40.2Very low42.4Very low115 Ų115120 Ų12070%0.69768%0.679SS**THydrogen-bonded Turntrans-85.7-5.4-179.7-170.30000113.6
1265S42.9Very low43.7Very low76 Ų76116.6 Ų116.653%0.53167%0.666SS.*Hα-helixtrans-78.9-18.9178.663.10000114.7I1263 I1269I1263-S1265 PolarHBondContact O-N 3.31Å; S1265-I1269 WeakPolarHBondContact O-CD1 3.01Å; S1265-I1269 WeakPolarHBondContact O-CG1 3.34Å
1266L45.8Very low45.1Very low124 Ų124114.5 Ų114.565%0.64965%0.651SS**Hα-helixtrans-81.3-33.9179.9-95.897.8000114W1268 I1269 V1270L1266-W1268 PolarHBondContact O-N 3.37Å; L1266-I1269 PolarHBondContact O-N 3.36Å; L1266-V1270 PolarHBondContact O-N 3.04Å
1267H46.4Very low46.8Very low142 Ų142114.7 Ų114.766%0.65764%0.643SS**Hα-helixtrans-72.4-29.2-176.7-86-49.2000113.9L1271H1267-L1271 PolarHBondContact O-N 3.1Å
1268W45.1Very low48.3Very low184 Ų184117.5 Ų117.570%0.69764%0.642SS**Hα-helixtrans-74-32176.5-81.292.9000113.1L1266 T1272L1266-W1268 PolarHBondContact O-N 3.37Å; W1268-T1272 WeakPolarHBondContact O-CG2 3.29Å; W1268-T1272 PolarHBondContact O-N 3.34Å; W1268-T1272 VanDerWaalsContact O-N 3.11Å; W1268-T1272 PolarHBondContact O-OG1 3.4Å
1269I52.3Low49.4Very low104 Ų104117.2 Ų117.253%0.53363%0.625SS.*Hα-helixtrans-71.3-38.1177.4-62.5171.2000110.7S1265 L1266 L1271 T1272 V1273S1265-I1269 WeakPolarHBondContact O-CD1 3.01Å; S1265-I1269 WeakPolarHBondContact O-CG1 3.34Å; L1266-I1269 PolarHBondContact O-N 3.36Å; I1269-L1271 PolarHBondContact O-N 3.3Å; I1269-T1272 PolarHBondContact O-OG1 2.98Å; I1269-V1273 HydrophobicContact CG2-CG2 4.31Å; I1269-V1273 WeakPolarHBondContact O-CB 3.39Å; I1269-V1273 VanDerWaalsContact O-CG2 3.22Å; I1269-V1273 WeakPolarHBondContact O-CG2 2.99Å; I1269-V1273 PolarHBondContact O-N 3.31Å
1270V55.6Low50.9Low92 Ų92114.1 Ų114.156%0.55862%0.616SS**Hα-helixtrans-67.6-38177.9178.50000111.4L1266 S1274L1266-V1270 PolarHBondContact O-N 3.04Å; V1270-S1274 WeakPolarHBondContact O-CB 3.4Å; V1270-S1274 PolarHBondContact O-N 2.99Å; V1270-S1274 PolarHBondContact O-OG 3.2Å
1271L53.2Low51.9Low114 Ų114118 Ų11860%0.59762%0.615SS**Hα-helixtrans-70.6-37.7178.9-114.9137.2000112.7H1267 I1269 S1274 L1275H1267-L1271 PolarHBondContact O-N 3.1Å; I1269-L1271 PolarHBondContact O-N 3.3Å; L1271-S1274 WeakPolarHBondContact CA-OG 3.28Å; L1271-S1274 PolarHBondContact O-OG 2.93Å; L1271-L1275 WeakPolarHBondContact O-CB 3.24Å; L1271-L1275 PolarHBondContact O-N 2.99Å
1272T59.6Low52.7Low81 Ų81119.1 Ų119.150%0.49761%0.61SS.*Hα-helixtrans-73-36176.956.70000112.5W1268 I1269 S1276W1268-T1272 WeakPolarHBondContact O-CG2 3.29Å; W1268-T1272 PolarHBondContact O-N 3.34Å; W1268-T1272 VanDerWaalsContact O-N 3.11Å; W1268-T1272 PolarHBondContact O-OG1 3.4Å; I1269-T1272 PolarHBondContact O-OG1 2.98Å; T1272-S1276 PolarHBondContact O-N 3.4Å; T1272-S1276 PolarHBondContact O-OG 3.17Å
1273V63.7Low53.1Low72 Ų72123.6 Ų123.644%0.43663%0.626SS.*Hα-helixtrans-69.2-40.5175.9174.10000111.3I1269 S1276 I1277I1269-V1273 HydrophobicContact CG2-CG2 4.31Å; I1269-V1273 WeakPolarHBondContact O-CB 3.39Å; I1269-V1273 VanDerWaalsContact O-CG2 3.22Å; I1269-V1273 WeakPolarHBondContact O-CG2 2.99Å; I1269-V1273 PolarHBondContact O-N 3.31Å; V1273-S1276 WeakPolarHBondContact CA-OG 3.07Å; V1273-S1276 PolarHBondContact O-N 3.35Å; V1273-S1276 PolarHBondContact O-OG 3.1Å; V1273-I1277 HydrophobicContact CG1-CD1 3.78Å; V1273-I1277 HydrophobicContact CG1-CG1 4.44Å; V1273-I1277 VanDerWaalsContact O-CG1 3.26Å; V1273-I1277 WeakPolarHBondContact O-CG1 3.2Å; V1273-I1277 PolarHBondContact O-N 3.31Å
1274S62.2Low53.7Low60 Ų60122.9 Ų122.942%0.4262%0.622SS.*Hα-helixtrans-69.6-34.6176.643.70000112.9V1270 L1271 F1278V1270-S1274 WeakPolarHBondContact O-CB 3.4Å; V1270-S1274 PolarHBondContact O-N 2.99Å; V1270-S1274 PolarHBondContact O-OG 3.2Å; L1271-S1274 WeakPolarHBondContact CA-OG 3.28Å; L1271-S1274 PolarHBondContact O-OG 2.93Å; S1274-F1278 PolarHBondContact O-N 3.11Å; S1274-F1278 VanDerWaalsContact O-N 3.12Å
1275L58.3Low54.4Low113 Ų113123.3 Ų123.359%0.59262%0.618SS**Hα-helixtrans-68.9-37.1174.8-14687.8000112.5L1271 F1278 L1279L1271-L1275 WeakPolarHBondContact O-CB 3.24Å; L1271-L1275 PolarHBondContact O-N 2.99Å; L1275-F1278 PolarHBondContact O-N 3.11Å; L1275-L1279 PolarHBondContact O-N 3.17Å; L1275-L1279 VanDerWaalsContact O-N 3.12Å
1276S61Low55.1Low61 Ų61125.9 Ų125.943%0.42762%0.623SS.*Hα-helixtrans-74.6-34.1177.940.40000112.7T1272 V1273 F1278 L1279 V1280T1272-S1276 PolarHBondContact O-N 3.4Å; T1272-S1276 PolarHBondContact O-OG 3.17Å; V1273-S1276 WeakPolarHBondContact CA-OG 3.07Å; V1273-S1276 PolarHBondContact O-N 3.35Å; V1273-S1276 PolarHBondContact O-OG 3.1Å; S1276-F1278 VanDerWaalsContact C-N 3.32Å; S1276-F1278 PolarHBondContact O-N 3.05Å; S1276-L1279 PolarHBondContact O-N 3.29Å; S1276-V1280 WeakPolarHBondContact O-CG2 3.44Å; S1276-V1280 PolarHBondContact O-N 2.9Å; S1276-V1280 VanDerWaalsContact O-N 3.09Å
1277I67.8Low55.6Low107 Ų107126.1 Ų126.155%0.54962%0.621SS.*Hα-helixtrans-64.8-37.2170.7-67.4166.4000111.1V1273 R1281V1273-I1277 HydrophobicContact CG1-CD1 3.78Å; V1273-I1277 HydrophobicContact CG1-CG1 4.44Å; V1273-I1277 VanDerWaalsContact O-CG1 3.26Å; V1273-I1277 WeakPolarHBondContact O-CG1 3.2Å; V1273-I1277 PolarHBondContact O-N 3.31Å; I1277-R1281 PolarHBondContact O-N 2.95Å
1278F62.3Low56.2Low167 Ų167125.1 Ų125.173%0.73262%0.619SS**Hα-helixtrans-67.6-39.2177.2-123.9-85.5000112.6S1274 L1275 S1276 R1281 W1282S1274-F1278 PolarHBondContact O-N 3.11Å; S1274-F1278 VanDerWaalsContact O-N 3.12Å; L1275-F1278 PolarHBondContact O-N 3.11Å; S1276-F1278 VanDerWaalsContact C-N 3.32Å; S1276-F1278 PolarHBondContact O-N 3.05Å; F1278-R1281 PolarHBondContact O-N 2.89Å; F1278-W1282 PolarHBondContact O-N 2.97Å
1279L54.5Low56.9Low99 Ų99121.1 Ų121.152%0.51861%0.614SS.*Hα-helixtrans-69-36.7177.9-88.1155.8000113L1275 S1276 R1281 W1282 L1283L1275-L1279 PolarHBondContact O-N 3.17Å; L1275-L1279 VanDerWaalsContact O-N 3.12Å; S1276-L1279 PolarHBondContact O-N 3.29Å; L1279-R1281 VanDerWaalsContact C-N 3.29Å; L1279-R1281 PolarHBondContact O-N 3.39Å; L1279-W1282 PolarHBondContact O-N 3.49Å; L1279-L1283 PolarHBondContact O-N 3.41Å; L1279-L1283 VanDerWaalsContact O-N 3.14Å
1280V61.2Low57.2Low109 Ų109122.4 Ų122.466%0.66162%0.619SS**Hα-helixtrans-75.9-17.1177.4176.20000112.7S1276S1276-V1280 WeakPolarHBondContact O-CG2 3.44Å; S1276-V1280 PolarHBondContact O-N 2.9Å; S1276-V1280 VanDerWaalsContact O-N 3.09Å
1281R51.8Low57.4Low225 Ų225124.7 Ų124.785%0.84962%0.624SS**Hα-helixtrans-88.9-14.2172.7-131.3-179.5-173.4-1771.4113.5I1277 F1278 L1279I1277-R1281 PolarHBondContact O-N 2.95Å; F1278-R1281 PolarHBondContact O-N 2.89Å; L1279-R1281 VanDerWaalsContact C-N 3.29Å; L1279-R1281 PolarHBondContact O-N 3.39Å
1282W46.3Very low57.7Low225 Ų225125.6 Ų125.685%0.85263%0.626SS**Hα-helixtrans-94.9-28.5177.8-163.176.9000112.3F1278 L1279F1278-W1282 PolarHBondContact O-N 2.97Å; L1279-W1282 PolarHBondContact O-N 3.49Å
1283L44Very low57.6Low188 Ų188129.6 Ų129.698%0.98464%0.638SS**  trans-750158-76.6160.7000110.1L1279L1279-L1283 PolarHBondContact O-N 3.41Å; L1279-L1283 VanDerWaalsContact O-N 3.14Å

Retrieved 1,283 of 1,283 residues in 402.8 ms (Link to these results)

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