A0A3Q0KC25_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KC25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 157 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
1M52.6Low84.9Confident223 Ų223107.2 Ų107.2100%1.09956%0.558SS**  0130.10-78.8-177.6-111.100107N3M1-N3 PolarHBondContact O-N 2.75Å
2M56.5Low85.9Confident154 Ų15498.8 Ų98.876%0.75952%0.515SS*.  trans-67113.6-178.6-72.9164.7-179.800109.1E4M2-E4 HydrophobicContact CB-CG 4.16Å; M2-E4 PolarHBondContact O-N 3.37Å; M2-E4 VanDerWaalsContact O-N 3.09Å
3N80Confident86.6Confident106 Ų10691.4 Ų91.457%0.56748%0.477SS*.  trans-80.136173.5-78.8-9.9000111M1 P89 N91M1-N3 PolarHBondContact O-N 2.75Å; N3-P89 HydrophobicContact CB-CB 4.47Å; N3-N91 PolarHBondContact OD1-ND2 2.66Å
4E89.1Confident87.3Confident121 Ų12184.9 Ų84.957%0.56544%0.443SS*.  trans-79.5149.8-177.3-70177.6-172.200110.2M2 M90M2-E4 HydrophobicContact CB-CG 4.16Å; M2-E4 PolarHBondContact O-N 3.37Å; M2-E4 VanDerWaalsContact O-N 3.09Å; E4-M90 PolarHBondContact O-N 3.24Å; E4-M90 VanDerWaalsContact O-N 3.14Å
5P93.3Very high87.7Confident39 Ų3979.5 Ų79.525%0.25342%0.415SS..  trans-64.6142.317227.6-34.3000110.7I7 T12 S88P5-I7 HydrophobicContact CB-CG1 4.35Å; P5-I7 HydrophobicContact CG-CD1 4.24Å; P5-I7 HydrophobicContact CG-CG1 4.3Å; P5-I7 PolarHBondContact O-N 3.34Å; P5-T12 HydrophobicContact CB-CG2 3.98Å; P5-S88 VanDerWaalsContact CA-O 3.28Å; P5-S88 WeakPolarHBondContact CA-O 3.15Å; P5-S88 WeakPolarHBondContact CB-O 3.44Å
6L93.6Very high88.2Confident56 Ų5674.5 Ų74.529%0.29339%0.389SS..  trans-79.1111.6168.2176.259.4000108.8I8 A13 M90L6-I8 HydrophobicContact CD1-CG1 4.35Å; L6-I8 HydrophobicContact CD2-CD1 4.34Å; L6-I8 HydrophobicContact CG-CD1 4.42Å; L6-I8 HydrophobicContact CG-CG1 4.21Å; L6-A13 HydrophobicContact CB-CB 4.14Å; L6-A13 HydrophobicContact CD2-CB 3.99Å; L6-A13 HydrophobicContact CG-CB 4.09Å; L6-A13 PolarHBondContact O-N 3.49Å; L6-M90 HydrophobicContact CB-CB 3.8Å; L6-M90 HydrophobicContact CB-CG 3.63Å; L6-M90 HydrophobicContact CB-SD 3.73Å; L6-M90 HydrophobicContact CD1-SD 3.83Å; L6-M90 HydrophobicContact CD2-CG 4.11Å; L6-M90 HydrophobicContact CD2-SD 3.94Å; L6-M90 HydrophobicContact CG-CG 4.37Å; L6-M90 HydrophobicContact CG-SD 4.03Å
7I94.7Very high88.5Confident100 Ų10071.9 Ų71.951%0.51338%0.379SS..EExtended strand (participates in β ladder)trans-107119.1179.1-57.6176000109.5P5 L11P5-I7 HydrophobicContact CB-CG1 4.35Å; P5-I7 HydrophobicContact CG-CD1 4.24Å; P5-I7 HydrophobicContact CG-CG1 4.3Å; P5-I7 PolarHBondContact O-N 3.34Å; I7-L11 CarbonylContact C-O 3.49Å; I7-L11 WeakPolarHBondContact CA-O 3.44Å
8I92.4Very high88.5Confident75 Ų7569.2 Ų69.239%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-115.4113.8176.1-56.8177.2000108.1L6 G10 L11 Y27L6-I8 HydrophobicContact CD1-CG1 4.35Å; L6-I8 HydrophobicContact CD2-CD1 4.34Å; L6-I8 HydrophobicContact CG-CD1 4.42Å; L6-I8 HydrophobicContact CG-CG1 4.21Å; I8-G10 PolarHBondContact O-N 3.33Å; I8-G10 VanDerWaalsContact O-N 3.17Å; I8-L11 PolarHBondContact N-O 2.77Å; I8-L11 WeakPolarHBondContact O-CB 3.27Å; I8-L11 PolarHBondContact O-N 2.83Å; I8-Y27 HydrophobicContact CD1-CE1 4.2Å
9K92.6Very high88.1Confident206 Ų20667.6 Ų67.690%0.89637%0.366SS*.THydrogen-bonded Turntrans51.438.1-180-60.2-177.8176.2-179.10113.5L11K9-L11 VanDerWaalsContact C-N 3.34Å
10G92.7Very high87.2Confident58 Ų5874.9 Ų74.960%0.59839%0.394SS*.THydrogen-bonded Turntrans850.3-178.800000115.2I8I8-G10 PolarHBondContact O-N 3.33Å; I8-G10 VanDerWaalsContact O-N 3.17Å
11L96.2Very high86.5Confident41 Ų4177.3 Ų77.322%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-101.5128.3177.6-52.1174.5000110.8I7 I8 K9 A13 A28 E29 Y39I7-L11 CarbonylContact C-O 3.49Å; I7-L11 WeakPolarHBondContact CA-O 3.44Å; I8-L11 PolarHBondContact N-O 2.77Å; I8-L11 WeakPolarHBondContact O-CB 3.27Å; I8-L11 PolarHBondContact O-N 2.83Å; K9-L11 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 2.89Å; L11-A28 CarbonylContact C-O 3.56Å; L11-A28 WeakPolarHBondContact CA-O 3.49Å; L11-E29 HydrophobicContact CD2-CB 3.65Å; L11-E29 HydrophobicContact CD2-CG 4.08Å; L11-Y39 HydrophobicContact CD2-CD2 4.22Å; L11-Y39 HydrophobicContact CD2-CE2 3.92Å
12T96.6Very high88Confident7 Ų771.7 Ų71.74%0.04339%0.389CS..EExtended strand (participates in β ladder)trans-78120.8173.3-62.80000109.7P5 Y27 A28 L86P5-T12 HydrophobicContact CB-CG2 3.98Å; T12-Y27 CarbonylContact O-C 3.58Å; T12-Y27 WeakPolarHBondContact O-CA 3.4Å; T12-A28 PolarHBondContact N-O 3.19Å; T12-A28 PolarHBondContact O-N 3.23Å; T12-L86 VanDerWaalsContact CG2-O 3.28Å; T12-L86 WeakPolarHBondContact CG2-O 3.28Å; T12-L86 PolarHBondContact OG1-O 3.13Å
13A96Very high89.7Confident2 Ų268 Ų682%0.01738%0.375CS..EExtended strand (participates in β ladder)trans-77.5133.2175.300000111.1L6 L11 F25 Y27L6-A13 HydrophobicContact CB-CB 4.14Å; L6-A13 HydrophobicContact CD2-CB 3.99Å; L6-A13 HydrophobicContact CG-CB 4.09Å; L6-A13 PolarHBondContact O-N 3.49Å; L11-A13 PolarHBondContact O-N 2.89Å; A13-F25 HydrophobicContact CB-CD1 4.22Å; A13-Y27 HydrophobicContact CB-CD1 4.03Å; A13-Y27 HydrophobicContact CB-CE1 3.95Å
14I95.5Very high90.4Very high0 Ų064 Ų640%035%0.353CS..EExtended strand (participates in β ladder)trans-118.5101.3178-55171.1000107.2V16 M26 A28 I38 F53 F54 I85 Y94I14-V16 HydrophobicContact CG2-CG1 4.19Å; I14-V16 PolarHBondContact O-N 3.31Å; I14-M26 HydrophobicContact CB-CB 4.37Å; I14-M26 HydrophobicContact CG2-CE 4.48Å; I14-M26 PolarHBondContact N-O 2.82Å; I14-M26 PolarHBondContact O-N 2.83Å; I14-A28 HydrophobicContact CD1-CB 3.83Å; I14-I38 HydrophobicContact CD1-CD1 4.38Å; I14-F53 HydrophobicContact CG2-CZ 4.26Å; I14-F54 HydrophobicContact CD1-CE1 4.33Å; I14-F54 HydrophobicContact CD1-CZ 4.44Å; I14-I85 HydrophobicContact CD1-CG2 3.59Å; I14-Y94 HydrophobicContact CG2-CD2 3.87Å; I14-Y94 HydrophobicContact CG2-CE2 3.99Å
15P94Very high90.6Very high4 Ų461.9 Ų61.93%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-74.6126.9177.33.510.4000109.6T23 F25 T92 T93 Y94P15-T23 HydrophobicContact CB-CG2 4.14Å; P15-F25 HydrophobicContact CB-CD1 3.99Å; P15-F25 HydrophobicContact CB-CE1 3.64Å; P15-F25 HydrophobicContact CB-CZ 4.27Å; P15-F25 HydrophobicContact CG-CD1 4.31Å; P15-F25 HydrophobicContact CG-CE1 3.89Å; P15-T92 VanDerWaalsContact CG-O 3.29Å; P15-T92 WeakPolarHBondContact CG-O 3.34Å; P15-T93 HydrophobicContact CB-CG2 4.41Å; P15-T93 WeakPolarHBondContact O-CA 3.36Å; P15-Y94 WeakPolarHBondContact O-CD2 3.36Å; P15-Y94 PolarHBondContact O-N 2.65Å
16V94.8Very high90.8Very high0 Ų060 Ų600%033%0.33CS..EExtended strand (participates in β ladder)trans-125.1141.9174.4-60.50000111.5I14 L18 T23 H24 M26 M45 F53 Y94 F96I14-V16 HydrophobicContact CG2-CG1 4.19Å; I14-V16 PolarHBondContact O-N 3.31Å; V16-L18 HydrophobicContact CG2-CD2 4.08Å; V16-T23 CarbonylContact O-C 3.4Å; V16-T23 WeakPolarHBondContact O-CA 3.47Å; V16-H24 HydrophobicContact CG2-CB 4.04Å; V16-H24 WeakPolarHBondContact CG2-O 3.18Å; V16-H24 PolarHBondContact N-O 2.9Å; V16-H24 PolarHBondContact O-N 3.37Å; V16-M26 HydrophobicContact CG1-CE 3.59Å; V16-M26 HydrophobicContact CG2-CE 4.27Å; V16-M45 HydrophobicContact CG2-CE 3.78Å; V16-F53 HydrophobicContact CG1-CE1 4.34Å; V16-F53 HydrophobicContact CG1-CE2 3.84Å; V16-F53 HydrophobicContact CG1-CZ 3.58Å; V16-Y94 CarbonylContact C-O 3.56Å; V16-Y94 WeakPolarHBondContact CA-O 3.46Å; V16-F96 HydrophobicContact CB-CB 3.96Å; V16-F96 HydrophobicContact CB-CD2 4.5Å; V16-F96 HydrophobicContact CG1-CD2 4.36Å; V16-F96 HydrophobicContact CG2-CB 4.34Å
17S93.7Very high91Very high31 Ų3160.2 Ų60.222%0.21733%0.328CS..EExtended strand (participates in β ladder)trans-91.2118.8172.2175.10000109.3G19 I22 Y94 F96S17-G19 PolarHBondContact O-N 2.65Å; S17-G19 PolarHBondContact OG-O 2.89Å; S17-I22 WeakPolarHBondContact CA-O 3.35Å; S17-Y94 PolarHBondContact N-O 3.12Å; S17-F96 PolarHBondContact O-N 3.47Å
18L89Confident91.1Very high23 Ų2355.5 Ų55.512%0.1230%0.303CS..SBendtrans-9224.6175.5-55.3179000112.3V16 I22 H24 H42 M45 F96 L98V16-L18 HydrophobicContact CG2-CD2 4.08Å; L18-I22 HydrophobicContact CB-CG2 4.45Å; L18-I22 PolarHBondContact N-O 3.29Å; L18-H24 HydrophobicContact CD1-CB 3.58Å; L18-H24 HydrophobicContact CG-CB 3.92Å; L18-H42 HydrophobicContact CD1-CB 4.14Å; L18-M45 HydrophobicContact CD1-CE 4.32Å; L18-M45 HydrophobicContact CD2-CE 3.37Å; L18-M45 HydrophobicContact CG-CE 4.39Å; L18-F96 HydrophobicContact CD2-CB 3.97Å; L18-F96 HydrophobicContact CD2-CD1 3.93Å; L18-F96 HydrophobicContact CD2-CG 4.05Å; L18-L98 HydrophobicContact CB-CD1 4.42Å; L18-L98 HydrophobicContact CD2-CD2 4.1Å
19G79.8Confident91.3Very high38 Ų3855.5 Ų55.539%0.39230%0.302SS..SBendtrans127.2176.2-170.200000112.3S17 C21 I22S17-G19 PolarHBondContact O-N 2.65Å; S17-G19 PolarHBondContact OG-O 2.89Å; G19-C21 PolarHBondContact O-N 3.36Å; G19-I22 PolarHBondContact O-N 3.14Å
20K71.8Confident91.5Very high213 Ų21350.4 Ų50.493%0.92628%0.28SS*.THydrogen-bonded Turntrans-48.8-27-160.1-68.8-174.8178.6179.50117
21C71.4Confident91.7Very high126 Ų12652.1 Ų52.185%0.85127%0.274SS*.THydrogen-bonded Turntrans-140.210.4-176.9-57.10000115.1G19G19-C21 PolarHBondContact O-N 3.36Å
22I85.3Confident91.7Very high106 Ų10651.4 Ų51.454%0.54428%0.277SS..  trans-109.9110.8-177.5-58176.9000108.8S17 L18 G19S17-I22 WeakPolarHBondContact CA-O 3.35Å; L18-I22 HydrophobicContact CB-CG2 4.45Å; L18-I22 PolarHBondContact N-O 3.29Å; G19-I22 PolarHBondContact O-N 3.14Å
23T91.4Very high91.6Very high75 Ų7559.5 Ų59.546%0.4631%0.312SS..EExtended strand (participates in β ladder)trans-94.9126.1167.9-57.40000109P15 V16 F25 T93P15-T23 HydrophobicContact CB-CG2 4.14Å; V16-T23 CarbonylContact O-C 3.4Å; V16-T23 WeakPolarHBondContact O-CA 3.47Å; T23-F25 HydrophobicContact CG2-CD2 4.45Å; T23-F25 HydrophobicContact CG2-CE2 3.88Å; T23-F25 HydrophobicContact CG2-CZ 4.03Å; T23-T93 HydrophobicContact CG2-CG2 4.29Å
24H94.1Very high91.7Very high23 Ų2364.3 Ų64.311%0.10633%0.332CS..EExtended strand (participates in β ladder)trans-117.4143.8175178.475.2000109V16 L18 N40 H42V16-H24 HydrophobicContact CG2-CB 4.04Å; V16-H24 WeakPolarHBondContact CG2-O 3.18Å; V16-H24 PolarHBondContact N-O 2.9Å; V16-H24 PolarHBondContact O-N 3.37Å; L18-H24 HydrophobicContact CD1-CB 3.58Å; L18-H24 HydrophobicContact CG-CB 3.92Å; H24-N40 PolarHBondContact CE1-ND2 2.96Å; H24-N40 VanDerWaalsContact CE1-ND2 3.34Å; H24-N40 PolarHBondContact CE1-O 3.46Å; H24-N40 PolarHBondContact NE2-O 3.26Å; H24-H42 AromaticContact ND1-CD2 3.89Å
25F94.7Very high91.8Very high76 Ų7665.3 Ų65.333%0.33334%0.339SS..EExtended strand (participates in β ladder)trans-109.5118.4178.9-69.6-90.6000109.9A13 P15 T23 Y27 N40A13-F25 HydrophobicContact CB-CD1 4.22Å; P15-F25 HydrophobicContact CB-CD1 3.99Å; P15-F25 HydrophobicContact CB-CE1 3.64Å; P15-F25 HydrophobicContact CB-CZ 4.27Å; P15-F25 HydrophobicContact CG-CD1 4.31Å; P15-F25 HydrophobicContact CG-CE1 3.89Å; T23-F25 HydrophobicContact CG2-CD2 4.45Å; T23-F25 HydrophobicContact CG2-CE2 3.88Å; T23-F25 HydrophobicContact CG2-CZ 4.03Å; F25-Y27 HydrophobicContact CB-CE1 4.3Å; F25-Y27 HydrophobicContact CB-CE2 4.35Å; F25-N40 PolarHBondContact O-ND2 3.29Å
26M96.5Very high92Very high0 Ų065.1 Ų65.10%034%0.338CS..EExtended strand (participates in β ladder)trans-87.7156160.9-67.9-175.8-67.800109.1I14 V16 I38 M45 L50 F53 F54 F96I14-M26 HydrophobicContact CB-CB 4.37Å; I14-M26 HydrophobicContact CG2-CE 4.48Å; I14-M26 PolarHBondContact N-O 2.82Å; I14-M26 PolarHBondContact O-N 2.83Å; V16-M26 HydrophobicContact CG1-CE 3.59Å; V16-M26 HydrophobicContact CG2-CE 4.27Å; M26-I38 HydrophobicContact CB-CG2 3.84Å; M26-I38 HydrophobicContact CG-CG2 4.22Å; M26-I38 HydrophobicContact SD-CG2 3.96Å; M26-M45 HydrophobicContact CG-CE 4.46Å; M26-M45 HydrophobicContact SD-CE 4.2Å; M26-M45 HydrophobicContact SD-SD 3.92Å; M26-L50 HydrophobicContact SD-CD2 4.4Å; M26-F53 HydrophobicContact CE-CD1 4.1Å; M26-F53 HydrophobicContact CE-CE1 3.64Å; M26-F53 HydrophobicContact CE-CZ 4.16Å; M26-F54 HydrophobicContact CE-CE2 3.99Å; M26-F54 HydrophobicContact CE-CZ 4Å; M26-F54 HydrophobicContact SD-CE2 4.1Å; M26-F54 HydrophobicContact SD-CZ 4.3Å; M26-F96 HydrophobicContact CE-CD2 4.38Å; M26-F96 HydrophobicContact CE-CE2 4.35Å
27Y97.4Very high92.1Very high61 Ų6165.8 Ų65.824%0.23934%0.341CS..EExtended strand (participates in β ladder)trans-125.2123179.3-58.7-77.3000110.5I8 T12 A13 F25 I38 Y39 N40I8-Y27 HydrophobicContact CD1-CE1 4.2Å; T12-Y27 CarbonylContact O-C 3.58Å; T12-Y27 WeakPolarHBondContact O-CA 3.4Å; A13-Y27 HydrophobicContact CB-CD1 4.03Å; A13-Y27 HydrophobicContact CB-CE1 3.95Å; F25-Y27 HydrophobicContact CB-CE1 4.3Å; F25-Y27 HydrophobicContact CB-CE2 4.35Å; Y27-I38 CarbonylContact O-C 3.43Å; Y27-I38 VanDerWaalsContact O-CA 3.31Å; Y27-I38 WeakPolarHBondContact O-CA 3.37Å; Y27-Y39 PolarHBondContact N-O 3.27Å; Y27-Y39 VanDerWaalsContact N-O 3.12Å; Y27-Y39 PolarHBondContact O-N 3.02Å; Y27-N40 HydrophobicContact CD2-CB 3.74Å; Y27-N40 HydrophobicContact CE2-CB 3.97Å
28A97.9Very high92.3Very high0 Ų064.3 Ų64.30%033%0.331CS..EExtended strand (participates in β ladder)trans-101.3136.7-17800000112.2L11 T12 I14 V36 L37 I38 I85 L86L11-A28 CarbonylContact C-O 3.56Å; L11-A28 WeakPolarHBondContact CA-O 3.49Å; T12-A28 PolarHBondContact N-O 3.19Å; T12-A28 PolarHBondContact O-N 3.23Å; I14-A28 HydrophobicContact CD1-CB 3.83Å; A28-V36 HydrophobicContact CB-CG2 3.89Å; A28-L37 CarbonylContact C-O 3.58Å; A28-L37 WeakPolarHBondContact CA-O 3.45Å; A28-I38 HydrophobicContact CB-CD1 3.58Å; A28-I85 HydrophobicContact CB-CG2 3.76Å; A28-L86 HydrophobicContact CB-CD2 4.19Å
29E97.1Very high92.7Very high76 Ų7666.6 Ų66.636%0.35534%0.338SS..EExtended strand (participates in β ladder)trans-127.3136.7173.5-173.6177-163.100109.6L11 L31 V36 L37 Y39L11-E29 HydrophobicContact CD2-CB 3.65Å; L11-E29 HydrophobicContact CD2-CG 4.08Å; E29-L31 PolarHBondContact O-N 2.91Å; E29-V36 WeakPolarHBondContact O-CA 3.25Å; E29-V36 VanDerWaalsContact O-CG2 3.27Å; E29-V36 WeakPolarHBondContact O-CG2 3.42Å; E29-L37 HydrophobicContact CB-CB 4.48Å; E29-L37 PolarHBondContact N-O 3.44Å; E29-L37 PolarHBondContact O-N 3.4Å; E29-Y39 HydrophobicContact CB-CE2 3.9Å; E29-Y39 VanDerWaalsContact OE2-CE2 3.26Å; E29-Y39 WeakPolarHBondContact OE2-CE2 3.33Å; E29-Y39 PolarHBondContact OE2-OH 2.91Å
30K96.6Very high93.4Very high99 Ų9968.3 Ų68.343%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-70.9112.5173.7-167.9168.3-177165.50109.7G32 V82 E83 L86K30-G32 WeakPolarHBondContact CE-O 3.23Å; K30-G32 WeakPolarHBondContact CG-O 3.41Å; K30-V82 HydrophobicContact CG-CG1 4.17Å; K30-E83 IonicContact NZ-OE1 3.46Å; K30-E83 PolarHBondContact NZ-OE1 3.41Å; K30-L86 HydrophobicContact CB-CD1 3.76Å; K30-L86 HydrophobicContact CD-CD1 3.91Å; K30-L86 HydrophobicContact CG-CD1 4.09Å
31L96.3Very high94.5Very high93 Ų9358.3 Ų58.349%0.48730%0.296SS..  trans-88.4-27.9174.3-172.365.1000111.8E29 S35 L37 V73E29-L31 PolarHBondContact O-N 2.91Å; L31-S35 PolarHBondContact N-O 3.11Å; L31-L37 HydrophobicContact CB-CB 4.41Å; L31-V73 HydrophobicContact CD2-CG1 3.77Å; L31-V73 HydrophobicContact CD2-CG2 4.16Å
32G95.1Very high95.4Very high26 Ų2654.8 Ų54.827%0.26827%0.267SS..SBendtrans-171.4-172.7-178.100000112.2K30 K34 S35K30-G32 WeakPolarHBondContact CE-O 3.23Å; K30-G32 WeakPolarHBondContact CG-O 3.41Å; G32-K34 VanDerWaalsContact C-N 3.26Å; G32-K34 PolarHBondContact O-N 3.04Å; G32-S35 VanDerWaalsContact CA-OG 3.25Å; G32-S35 WeakPolarHBondContact CA-OG 3.4Å; G32-S35 PolarHBondContact N-O 3.06Å; G32-S35 VanDerWaalsContact N-O 3.11Å; G32-S35 PolarHBondContact N-OG 3.18Å
33K96.4Very high95.4Very high178 Ų17853.2 Ų53.277%0.77426%0.263SS*.SBendtrans-62.1-33.4-177.2-70.8-171.8179.4-179.40113.2S79K33-S79 WeakPolarHBondContact O-CA 3.48Å; K33-S79 WeakPolarHBondContact O-CB 2.97Å
34K97.4Very high95.1Very high103 Ų10351.3 Ų51.345%0.44825%0.25SS..SBendtrans-125.112-177-61.7-172.4178.7-169.60112.6G32 E75 F76 N77 V82G32-K34 VanDerWaalsContact C-N 3.26Å; G32-K34 PolarHBondContact O-N 3.04Å; K34-E75 CarbonylContact O-C 3.53Å; K34-E75 WeakPolarHBondContact O-CA 3.39Å; K34-F76 WeakPolarHBondContact CB-O 3.21Å; K34-F76 PolarHBondContact O-N 3.21Å; K34-N77 WeakPolarHBondContact CD-O 3.49Å; K34-N77 VanDerWaalsContact CE-O 3.27Å; K34-N77 WeakPolarHBondContact CE-O 3.3Å; K34-N77 PolarHBondContact NZ-O 3.03Å; K34-V82 VanDerWaalsContact C-CG2 3.43Å
35S97.6Very high94.9Very high21 Ų2150.2 Ų50.215%0.14725%0.245CC..EExtended strand (participates in β ladder)trans-129.5136.4-173.654.90000111.5L31 G32 F74L31-S35 PolarHBondContact N-O 3.11Å; G32-S35 VanDerWaalsContact CA-OG 3.25Å; G32-S35 WeakPolarHBondContact CA-OG 3.4Å; G32-S35 PolarHBondContact N-O 3.06Å; G32-S35 VanDerWaalsContact N-O 3.11Å; G32-S35 PolarHBondContact N-OG 3.18Å; S35-F74 VanDerWaalsContact CA-O 3.23Å; S35-F74 WeakPolarHBondContact CA-O 3.49Å
36V97.9Very high94.5Very high0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-127.8137.8177.470.20000109.1A28 E29 I38 V73 F74 F76 V82 I85A28-V36 HydrophobicContact CB-CG2 3.89Å; E29-V36 WeakPolarHBondContact O-CA 3.25Å; E29-V36 VanDerWaalsContact O-CG2 3.27Å; E29-V36 WeakPolarHBondContact O-CG2 3.42Å; V36-I38 HydrophobicContact CG1-CD1 4.09Å; V36-I38 HydrophobicContact CG1-CG1 4.4Å; V36-I38 HydrophobicContact CG2-CD1 3.89Å; V36-V73 WeakPolarHBondContact O-CA 3.37Å; V36-F74 HydrophobicContact CG1-CB 3.95Å; V36-F74 HydrophobicContact CG1-CD2 4.45Å; V36-F74 PolarHBondContact N-O 3.18Å; V36-F74 PolarHBondContact O-N 2.88Å; V36-F76 HydrophobicContact CG1-CE2 3.81Å; V36-V82 HydrophobicContact CB-CG1 4.35Å; V36-I85 HydrophobicContact CG1-CD1 4Å; V36-I85 HydrophobicContact CG2-CG2 4.35Å
37L97.6Very high94.2Very high13 Ų1348.4 Ų48.47%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-100.2130171.6172.558000108.2A28 E29 L31 Y39 R71 V73 W148A28-L37 CarbonylContact C-O 3.58Å; A28-L37 WeakPolarHBondContact CA-O 3.45Å; E29-L37 HydrophobicContact CB-CB 4.48Å; E29-L37 PolarHBondContact N-O 3.44Å; E29-L37 PolarHBondContact O-N 3.4Å; L31-L37 HydrophobicContact CB-CB 4.41Å; L37-Y39 HydrophobicContact CD2-CE1 3.89Å; L37-Y39 HydrophobicContact CD2-CE2 3.84Å; L37-Y39 WeakPolarHBondContact CD2-OH 3.39Å; L37-Y39 HydrophobicContact CG-CD2 4.33Å; L37-Y39 HydrophobicContact CG-CE1 4.17Å; L37-Y39 HydrophobicContact CG-CE2 3.77Å; L37-R71 HydrophobicContact CD1-CB 4.17Å; L37-V73 HydrophobicContact CB-CG2 4.4Å; L37-V73 HydrophobicContact CD1-CG2 3.66Å; L37-W148 HydrophobicContact CD1-CH2 4.15Å
38I97.8Very high93.8Very high0 Ų050.3 Ų50.30%025%0.25CC..EExtended strand (participates in β ladder)trans-114.6125.8-179.9-52.2-61.3000108.1I14 M26 Y27 A28 V36 V41 F54 R71 C72 F74I14-I38 HydrophobicContact CD1-CD1 4.38Å; M26-I38 HydrophobicContact CB-CG2 3.84Å; M26-I38 HydrophobicContact CG-CG2 4.22Å; M26-I38 HydrophobicContact SD-CG2 3.96Å; Y27-I38 CarbonylContact O-C 3.43Å; Y27-I38 VanDerWaalsContact O-CA 3.31Å; Y27-I38 WeakPolarHBondContact O-CA 3.37Å; A28-I38 HydrophobicContact CB-CD1 3.58Å; V36-I38 HydrophobicContact CG1-CD1 4.09Å; V36-I38 HydrophobicContact CG1-CG1 4.4Å; V36-I38 HydrophobicContact CG2-CD1 3.89Å; I38-V41 HydrophobicContact CG2-CG2 4.23Å; I38-F54 HydrophobicContact CB-CZ 4.46Å; I38-F54 HydrophobicContact CD1-CE1 3.78Å; I38-F54 HydrophobicContact CD1-CZ 3.67Å; I38-F54 HydrophobicContact CG1-CE1 4.06Å; I38-F54 HydrophobicContact CG1-CE2 4.23Å; I38-F54 HydrophobicContact CG1-CZ 3.63Å; I38-F54 HydrophobicContact CG2-CE2 4.49Å; I38-F54 HydrophobicContact CG2-CZ 4.1Å; I38-R71 CarbonylContact O-C 3.57Å; I38-R71 WeakPolarHBondContact O-CA 3.34Å; I38-R71 VanDerWaalsContact O-CB 3.29Å; I38-R71 WeakPolarHBondContact O-CB 3.38Å; I38-C72 PolarHBondContact N-O 3.31Å; I38-C72 PolarHBondContact O-N 3.14Å; I38-F74 HydrophobicContact CG1-CD2 3.9Å; I38-F74 HydrophobicContact CG1-CE2 4.03Å
39Y96.6Very high93.5Very high71 Ų7150.5 Ų50.528%0.27825%0.251SS..EExtended strand (participates in β ladder)trans-105.4168.5175.6-57.5-88.7000111.5L11 Y27 E29 L37 V41 R71L11-Y39 HydrophobicContact CD2-CD2 4.22Å; L11-Y39 HydrophobicContact CD2-CE2 3.92Å; Y27-Y39 PolarHBondContact N-O 3.27Å; Y27-Y39 VanDerWaalsContact N-O 3.12Å; Y27-Y39 PolarHBondContact O-N 3.02Å; E29-Y39 HydrophobicContact CB-CE2 3.9Å; E29-Y39 VanDerWaalsContact OE2-CE2 3.26Å; E29-Y39 WeakPolarHBondContact OE2-CE2 3.33Å; E29-Y39 PolarHBondContact OE2-OH 2.91Å; L37-Y39 HydrophobicContact CD2-CE1 3.89Å; L37-Y39 HydrophobicContact CD2-CE2 3.84Å; L37-Y39 WeakPolarHBondContact CD2-OH 3.39Å; L37-Y39 HydrophobicContact CG-CD2 4.33Å; L37-Y39 HydrophobicContact CG-CE1 4.17Å; L37-Y39 HydrophobicContact CG-CE2 3.77Å; Y39-V41 VanDerWaalsContact C-N 3.26Å; Y39-V41 PolarHBondContact O-N 3.27Å; Y39-R71 HydrophobicContact CD1-CB 4.46Å
40N95.7Very high93.3Very high74 Ų7446.9 Ų46.940%0.39623%0.234SC..  trans5743.1179.3-16336.5000111.1H24 F25 Y27 H42 A70H24-N40 PolarHBondContact CE1-ND2 2.96Å; H24-N40 VanDerWaalsContact CE1-ND2 3.34Å; H24-N40 PolarHBondContact CE1-O 3.46Å; H24-N40 PolarHBondContact NE2-O 3.26Å; F25-N40 PolarHBondContact O-ND2 3.29Å; Y27-N40 HydrophobicContact CD2-CB 3.74Å; Y27-N40 HydrophobicContact CE2-CB 3.97Å; N40-H42 PolarHBondContact O-N 3.49Å; N40-A70 PolarHBondContact N-O 3.37Å
41V93.9Very high93.1Very high4 Ų443.6 Ų43.62%0.02422%0.221CC..  trans-68.4120.1173.2176.20000108.1I38 Y39 M45 L50 Y65 A70 C72I38-V41 HydrophobicContact CG2-CG2 4.23Å; Y39-V41 VanDerWaalsContact C-N 3.26Å; Y39-V41 PolarHBondContact O-N 3.27Å; V41-M45 HydrophobicContact CG1-CB 3.91Å; V41-M45 HydrophobicContact CG1-SD 4.13Å; V41-L50 HydrophobicContact CG1-CD1 3.79Å; V41-L50 HydrophobicContact CG1-CD2 4.05Å; V41-L50 HydrophobicContact CG1-CG 4.43Å; V41-Y65 HydrophobicContact CB-CE2 4.47Å; V41-Y65 HydrophobicContact CG1-CE2 3.75Å; V41-A70 PolarHBondContact N-O 3.48Å; V41-C72 HydrophobicContact CG2-CB 4.39Å; V41-C72 VanDerWaalsContact CG2-SG 3.54Å
42H91Very high93Very high52 Ų5242.8 Ų42.824%0.24122%0.217CC..  trans-65142.1-176.8-171.1-91.3000110.6L18 H24 N40 L44 M45L18-H42 HydrophobicContact CD1-CB 4.14Å; H24-H42 AromaticContact ND1-CD2 3.89Å; N40-H42 PolarHBondContact O-N 3.49Å; H42-L44 WeakPolarHBondContact ND1-CB 3.37Å; H42-L44 PolarHBondContact ND1-N 2.74Å; H42-L44 PolarHBondContact O-N 2.96Å; H42-M45 HydrophobicContact CB-CE 3.82Å; H42-M45 HydrophobicContact CB-CG 3.9Å; H42-M45 HydrophobicContact CB-SD 3.74Å; H42-M45 PolarHBondContact N-SD 2.83Å; H42-M45 VanDerWaalsContact N-SD 3.37Å; H42-M45 VanDerWaalsContact O-CB 3.27Å; H42-M45 WeakPolarHBondContact O-CB 3.25Å; H42-M45 PolarHBondContact O-N 2.74Å
43P84.8Confident93Very high72 Ų7242.3 Ų42.347%0.46821%0.208SC..THydrogen-bonded Turntrans-58.2-22.9-178.1-2936.5000115.5M45 F133 R136P43-M45 VanDerWaalsContact C-N 3.32Å; P43-F133 HydrophobicContact CB-CD1 4.06Å; P43-F133 HydrophobicContact CB-CE1 3.53Å; P43-F133 HydrophobicContact CB-CZ 4.2Å; P43-R136 PolarHBondContact O-NE 3.08Å; P43-R136 VanDerWaalsContact O-NE 3.17Å
44L85.3Confident93Very high36 Ų3633.9 Ų33.919%0.18817%0.171CC..THydrogen-bonded Turntrans-80.8-10.4174.9-61.4179.8000113.9H42 L98 I101 Y132 F133 R136H42-L44 WeakPolarHBondContact ND1-CB 3.37Å; H42-L44 PolarHBondContact ND1-N 2.74Å; H42-L44 PolarHBondContact O-N 2.96Å; L44-L98 HydrophobicContact CB-CD1 4.07Å; L44-L98 HydrophobicContact CB-CD2 3.84Å; L44-L98 HydrophobicContact CD1-CD1 3.99Å; L44-I101 HydrophobicContact CD1-CD1 4.3Å; L44-I101 HydrophobicContact CD2-CD1 3.55Å; L44-I101 HydrophobicContact CG-CD1 4.49Å; L44-Y132 HydrophobicContact CD2-CE1 4.14Å; L44-F133 HydrophobicContact CD2-CE1 3.78Å; L44-F133 HydrophobicContact CD2-CZ 3.68Å; L44-F133 HydrophobicContact CG-CZ 4.39Å; L44-R136 VanDerWaalsContact C-NH2 3.28Å; L44-R136 PolarHBondContact O-NH2 2.9Å
45M89.7Confident92.8Very high0 Ų034 Ų340%017%0.172CC..  trans-85.2120.3173.9-58.9170.8173.900108.3V16 L18 M26 V41 H42 P43 L50 Y65 F96 L98V16-M45 HydrophobicContact CG2-CE 3.78Å; L18-M45 HydrophobicContact CD1-CE 4.32Å; L18-M45 HydrophobicContact CD2-CE 3.37Å; L18-M45 HydrophobicContact CG-CE 4.39Å; M26-M45 HydrophobicContact CG-CE 4.46Å; M26-M45 HydrophobicContact SD-CE 4.2Å; M26-M45 HydrophobicContact SD-SD 3.92Å; V41-M45 HydrophobicContact CG1-CB 3.91Å; V41-M45 HydrophobicContact CG1-SD 4.13Å; H42-M45 HydrophobicContact CB-CE 3.82Å; H42-M45 HydrophobicContact CB-CG 3.9Å; H42-M45 HydrophobicContact CB-SD 3.74Å; H42-M45 PolarHBondContact N-SD 2.83Å; H42-M45 VanDerWaalsContact N-SD 3.37Å; H42-M45 VanDerWaalsContact O-CB 3.27Å; H42-M45 WeakPolarHBondContact O-CB 3.25Å; H42-M45 PolarHBondContact O-N 2.74Å; P43-M45 VanDerWaalsContact C-N 3.32Å; M45-L50 HydrophobicContact CB-CD1 4.39Å; M45-L50 HydrophobicContact CB-CD2 4.02Å; M45-L50 HydrophobicContact CB-CG 3.98Å; M45-L50 HydrophobicContact SD-CD2 4.15Å; M45-Y65 PolarHBondContact O-OH 3.09Å; M45-F96 HydrophobicContact CB-CE1 4.25Å; M45-F96 HydrophobicContact CB-CZ 4.07Å; M45-F96 HydrophobicContact CE-CD1 4.33Å; M45-F96 HydrophobicContact CE-CD2 4.18Å; M45-F96 HydrophobicContact CE-CE1 4.34Å; M45-F96 HydrophobicContact CE-CE2 4.17Å; M45-F96 HydrophobicContact CE-CG 4.28Å; M45-F96 HydrophobicContact CE-CZ 4.26Å; M45-F96 HydrophobicContact CG-CD1 4.37Å; M45-F96 HydrophobicContact CG-CE1 3.62Å; M45-F96 HydrophobicContact CG-CE2 4.4Å; M45-F96 HydrophobicContact CG-CZ 3.64Å; M45-F96 HydrophobicContact SD-CE1 4.44Å; M45-F96 HydrophobicContact SD-CE2 4.24Å; M45-F96 HydrophobicContact SD-CZ 4.05Å; M45-L98 HydrophobicContact CG-CD2 4.28Å
46D86.8Confident92.6Very high27 Ų2737.2 Ų37.214%0.14419%0.194CC..  trans-102.2171.9171.641.846.6000110K48 S49 L50 T99 R136D46-K48 PolarHBondContact O-N 2.93Å; D46-K48 VanDerWaalsContact O-N 3.13Å; D46-K48 PolarHBondContact OD1-N 2.99Å; D46-S49 PolarHBondContact N-OG 3.46Å; D46-S49 PolarHBondContact O-N 3.02Å; D46-S49 PolarHBondContact O-OG 2.84Å; D46-S49 VanDerWaalsContact O-OG 3.12Å; D46-S49 WeakPolarHBondContact OD1-CB 3.44Å; D46-S49 PolarHBondContact OD1-N 3.31Å; D46-S49 PolarHBondContact OD1-OG 2.89Å; D46-L50 WeakPolarHBondContact O-CB 3.34Å; D46-L50 WeakPolarHBondContact O-CD1 3.36Å; D46-L50 WeakPolarHBondContact O-CG 3.4Å; D46-L50 PolarHBondContact O-N 2.75Å; D46-T99 VanDerWaalsContact CG-OG1 3.25Å; D46-T99 PolarHBondContact OD1-OG1 2.91Å; D46-T99 WeakPolarHBondContact OD2-CB 3.08Å; D46-T99 PolarHBondContact OD2-OG1 3.36Å; D46-R136 IonicContact OD2-CZ 3.79Å; D46-R136 IonicContact OD2-NH1 2.89Å; D46-R136 PolarHBondContact OD2-NH1 3.44Å; D46-R136 IonicContact OD2-NH2 3.82Å; D46-R136 PolarHBondContact OD2-NH2 3.44Å; D46-R136 VanDerWaalsContact OD2-NH2 3.13Å
47A89Confident92.5Very high11 Ų1138 Ų389%0.09120%0.198CC..Hα-helixtrans-52.9-34.3175.600000113.2L51 L63 Y65 V151 L157A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 PolarHBondContact O-N 2.8Å; A47-L63 HydrophobicContact CB-CD2 3.95Å; A47-L63 WeakPolarHBondContact O-CD2 3.47Å; A47-Y65 HydrophobicContact CB-CD1 4.14Å; A47-V151 HydrophobicContact CB-CG2 4.07Å; A47-L157 HydrophobicContact CB-CD1 3.88Å
48K88.6Confident92.3Very high101 Ų10138.4 Ų38.444%0.43921%0.205SC..Hα-helixtrans-69.1-56.8-179.9-177.8-174.2173.5-620111.6D46 L50 L51 D52 L157D46-K48 PolarHBondContact O-N 2.93Å; D46-K48 VanDerWaalsContact O-N 3.13Å; D46-K48 PolarHBondContact OD1-N 2.99Å; K48-L50 VanDerWaalsContact C-N 3.3Å; K48-L50 PolarHBondContact O-N 3.15Å; K48-L51 PolarHBondContact O-N 2.85Å; K48-D52 IonicContact NZ-OD2 3.81Å; K48-D52 PolarHBondContact NZ-OD2 2.73Å; K48-D52 WeakPolarHBondContact O-CB 3.33Å; K48-D52 VanDerWaalsContact O-CG 3.29Å; K48-D52 PolarHBondContact O-N 3.42Å; K48-L157 HydrophobicContact CB-CD1 4.44Å
49S91.6Very high92.2Very high3 Ų342.8 Ų42.82%0.02123%0.225CC..Hα-helixtrans-61.2-38.3178.849.80000112.2D46 D52 F53 N97D46-S49 PolarHBondContact N-OG 3.46Å; D46-S49 PolarHBondContact O-N 3.02Å; D46-S49 PolarHBondContact O-OG 2.84Å; D46-S49 VanDerWaalsContact O-OG 3.12Å; D46-S49 WeakPolarHBondContact OD1-CB 3.44Å; D46-S49 PolarHBondContact OD1-N 3.31Å; D46-S49 PolarHBondContact OD1-OG 2.89Å; S49-D52 PolarHBondContact O-N 2.68Å; S49-F53 WeakPolarHBondContact O-CB 3.14Å; S49-F53 PolarHBondContact O-N 2.63Å; S49-N97 VanDerWaalsContact CB-O 3.31Å; S49-N97 WeakPolarHBondContact CB-O 3.33Å
50L94Very high92.1Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-60.7-47.3172.1-75.5169.7000112.2M26 V41 M45 D46 K48 F53 F54 Y65 C72 F74 F96M26-L50 HydrophobicContact SD-CD2 4.4Å; V41-L50 HydrophobicContact CG1-CD1 3.79Å; V41-L50 HydrophobicContact CG1-CD2 4.05Å; V41-L50 HydrophobicContact CG1-CG 4.43Å; M45-L50 HydrophobicContact CB-CD1 4.39Å; M45-L50 HydrophobicContact CB-CD2 4.02Å; M45-L50 HydrophobicContact CB-CG 3.98Å; M45-L50 HydrophobicContact SD-CD2 4.15Å; D46-L50 WeakPolarHBondContact O-CB 3.34Å; D46-L50 WeakPolarHBondContact O-CD1 3.36Å; D46-L50 WeakPolarHBondContact O-CG 3.4Å; D46-L50 PolarHBondContact O-N 2.75Å; K48-L50 VanDerWaalsContact C-N 3.3Å; K48-L50 PolarHBondContact O-N 3.15Å; L50-F53 PolarHBondContact O-N 2.75Å; L50-F54 HydrophobicContact CD2-CE2 4.35Å; L50-F54 WeakPolarHBondContact O-CB 3.44Å; L50-F54 WeakPolarHBondContact O-CD2 3.48Å; L50-F54 PolarHBondContact O-N 2.81Å; L50-Y65 HydrophobicContact CD1-CD2 3.89Å; L50-Y65 HydrophobicContact CD1-CE2 3.96Å; L50-Y65 HydrophobicContact CD1-CG 4.27Å; L50-C72 HydrophobicContact CD1-CB 4.47Å; L50-F74 HydrophobicContact CB-CZ 4.04Å; L50-F96 HydrophobicContact CD2-CE2 4.29Å; L50-F96 HydrophobicContact CD2-CZ 4.12Å; L50-F96 HydrophobicContact CG-CZ 4.45Å
51L93.1Very high92.1Very high30 Ų3039.1 Ų39.116%0.15721%0.212CC..Hα-helixtrans-65.5-42.2178.3-179.5124.5000111.5A47 K48 F53 K55 I60 L63A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 PolarHBondContact O-N 2.8Å; K48-L51 PolarHBondContact O-N 2.85Å; L51-F53 VanDerWaalsContact C-N 3.34Å; L51-F53 PolarHBondContact O-N 2.74Å; L51-K55 HydrophobicContact CD2-CD 4.16Å; L51-K55 HydrophobicContact CG-CD 4.36Å; L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 WeakPolarHBondContact O-CD 3.27Å; L51-K55 WeakPolarHBondContact O-CG 3.39Å; L51-K55 PolarHBondContact O-N 2.8Å; L51-I60 HydrophobicContact CG-CD1 4.48Å; L51-L63 HydrophobicContact CB-CD2 4.14Å; L51-L63 HydrophobicContact CD1-CD2 4.43Å
52D92.7Very high92Very high76 Ų7639.6 Ų39.641%0.40622%0.216SC..Hα-helixtrans-62.1-41.5176.3-70.3-20.8000111.2K48 S49 K55K48-D52 IonicContact NZ-OD2 3.81Å; K48-D52 PolarHBondContact NZ-OD2 2.73Å; K48-D52 WeakPolarHBondContact O-CB 3.33Å; K48-D52 VanDerWaalsContact O-CG 3.29Å; K48-D52 PolarHBondContact O-N 3.42Å; S49-D52 PolarHBondContact O-N 2.68Å; D52-K55 IonicContact OD1-NZ 2.68Å
53F95.3Very high92.1Very high17 Ų1737.1 Ų37.18%0.07520%0.204CC..Hα-helixtrans-66-55.3175.1177.3-97.6000112.5I14 V16 M26 S49 L50 L51 K55 S56 F57 Y94 F96I14-F53 HydrophobicContact CG2-CZ 4.26Å; V16-F53 HydrophobicContact CG1-CE1 4.34Å; V16-F53 HydrophobicContact CG1-CE2 3.84Å; V16-F53 HydrophobicContact CG1-CZ 3.58Å; M26-F53 HydrophobicContact CE-CD1 4.1Å; M26-F53 HydrophobicContact CE-CE1 3.64Å; M26-F53 HydrophobicContact CE-CZ 4.16Å; S49-F53 WeakPolarHBondContact O-CB 3.14Å; S49-F53 PolarHBondContact O-N 2.63Å; L50-F53 PolarHBondContact O-N 2.75Å; L51-F53 VanDerWaalsContact C-N 3.34Å; L51-F53 PolarHBondContact O-N 2.74Å; F53-K55 VanDerWaalsContact C-N 3.28Å; F53-K55 PolarHBondContact O-N 3.29Å; F53-S56 WeakPolarHBondContact O-CB 3.43Å; F53-S56 PolarHBondContact O-N 2.96Å; F53-S56 VanDerWaalsContact O-N 3.16Å; F53-S56 PolarHBondContact O-OG 3.06Å; F53-F57 HydrophobicContact CD1-CE2 4.5Å; F53-F57 AromaticContact CE1-CE2 3.87Å; F53-F57 HydrophobicContact CE1-CE2 3.87Å; F53-F57 HydrophobicContact CZ-CE2 4.19Å; F53-Y94 HydrophobicContact CE2-CG 4.33Å; F53-Y94 HydrophobicContact CZ-CD2 4.44Å; F53-Y94 HydrophobicContact CZ-CG 4.24Å; F53-F96 HydrophobicContact CB-CD2 3.77Å; F53-F96 HydrophobicContact CB-CE2 3.47Å; F53-F96 VanDerWaalsContact CB-CE2 3.47Å; F53-F96 HydrophobicContact CB-CZ 4.22Å; F53-F96 HydrophobicContact CD1-CD2 4.08Å; F53-F96 AromaticContact CD1-CE2 3.98Å; F53-F96 HydrophobicContact CD1-CE2 3.98Å; F53-F96 HydrophobicContact CD2-CB 4.43Å; F53-F96 AromaticContact CD2-CD2 3.46Å; F53-F96 HydrophobicContact CD2-CD2 3.46Å; F53-F96 VanDerWaalsContact CD2-CD2 3.46Å; F53-F96 HydrophobicContact CD2-CE2 4.05Å; F53-F96 HydrophobicContact CD2-CG 4.28Å; F53-F96 HydrophobicContact CE2-CD2 4.02Å; F53-F96 AromaticContact CG-CD2 3.48Å; F53-F96 HydrophobicContact CG-CD2 3.48Å; F53-F96 VanDerWaalsContact CG-CD2 3.48Å; F53-F96 AromaticContact CG-CE2 3.56Å; F53-F96 HydrophobicContact CG-CE2 3.56Å
54F95.8Very high92.5Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-72.8-18.5-171.9-83.2-80.7000113.8I14 M26 I38 L50 S56 F57 I60 F74 I85I14-F54 HydrophobicContact CD1-CE1 4.33Å; I14-F54 HydrophobicContact CD1-CZ 4.44Å; M26-F54 HydrophobicContact CE-CE2 3.99Å; M26-F54 HydrophobicContact CE-CZ 4Å; M26-F54 HydrophobicContact SD-CE2 4.1Å; M26-F54 HydrophobicContact SD-CZ 4.3Å; I38-F54 HydrophobicContact CB-CZ 4.46Å; I38-F54 HydrophobicContact CD1-CE1 3.78Å; I38-F54 HydrophobicContact CD1-CZ 3.67Å; I38-F54 HydrophobicContact CG1-CE1 4.06Å; I38-F54 HydrophobicContact CG1-CE2 4.23Å; I38-F54 HydrophobicContact CG1-CZ 3.63Å; I38-F54 HydrophobicContact CG2-CE2 4.49Å; I38-F54 HydrophobicContact CG2-CZ 4.1Å; L50-F54 HydrophobicContact CD2-CE2 4.35Å; L50-F54 WeakPolarHBondContact O-CB 3.44Å; L50-F54 WeakPolarHBondContact O-CD2 3.48Å; L50-F54 PolarHBondContact O-N 2.81Å; F54-S56 PolarHBondContact O-N 3.5Å; F54-F57 AromaticContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CE2 4.18Å; F54-F57 HydrophobicContact CE1-CE2 4.45Å; F54-F57 PolarHBondContact O-N 3.13Å; F54-F57 VanDerWaalsContact O-N 3.09Å; F54-I60 HydrophobicContact CB-CD1 3.86Å; F54-F74 HydrophobicContact CB-CD1 4.07Å; F54-F74 HydrophobicContact CB-CD2 4.49Å; F54-F74 HydrophobicContact CB-CE1 3.68Å; F54-F74 HydrophobicContact CB-CE2 4.15Å; F54-F74 HydrophobicContact CB-CG 4.43Å; F54-F74 HydrophobicContact CB-CZ 3.71Å; F54-F74 HydrophobicContact CD1-CD2 4.29Å; F54-F74 HydrophobicContact CD1-CE2 4.16Å; F54-F74 HydrophobicContact CD2-CD2 4.05Å; F54-F74 AromaticContact CD2-CE1 3.99Å; F54-F74 HydrophobicContact CD2-CE1 3.99Å; F54-F74 AromaticContact CD2-CE2 3.15Å; F54-F74 HydrophobicContact CD2-CE2 3.15Å; F54-F74 AromaticContact CD2-CZ 3.1Å; F54-F74 HydrophobicContact CD2-CZ 3.1Å; F54-F74 HydrophobicContact CE1-CE2 4.39Å; F54-F74 HydrophobicContact CE2-CD2 4.35Å; F54-F74 AromaticContact CE2-CE2 3.45Å; F54-F74 HydrophobicContact CE2-CE2 3.45Å; F54-F74 VanDerWaalsContact CE2-CE2 3.45Å; F54-F74 AromaticContact CE2-CZ 3.84Å; F54-F74 HydrophobicContact CE2-CZ 3.84Å; F54-F74 HydrophobicContact CG-CD1 4.46Å; F54-F74 HydrophobicContact CG-CD2 4.01Å; F54-F74 HydrophobicContact CG-CE1 4.03Å; F54-F74 AromaticContact CG-CE2 3.55Å; F54-F74 HydrophobicContact CG-CE2 3.55Å; F54-F74 HydrophobicContact CG-CG 4.42Å; F54-F74 AromaticContact CG-CZ 3.54Å; F54-F74 HydrophobicContact CG-CZ 3.54Å; F54-F74 HydrophobicContact CZ-CE2 4.07Å; F54-I85 HydrophobicContact CD1-CD1 3.88Å; F54-I85 HydrophobicContact CE1-CD1 4.13Å; F54-I85 HydrophobicContact CE1-CG2 4.46Å
55K94.7Very high92.7Very high106 Ų10635.7 Ų35.746%0.46119%0.188SC..G310 helixtrans-58.9-23.8170.4-85.8168.9179.9172.20112.9L51 D52 F53 F57 G58 I60L51-K55 HydrophobicContact CD2-CD 4.16Å; L51-K55 HydrophobicContact CG-CD 4.36Å; L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 WeakPolarHBondContact O-CD 3.27Å; L51-K55 WeakPolarHBondContact O-CG 3.39Å; L51-K55 PolarHBondContact O-N 2.8Å; D52-K55 IonicContact OD1-NZ 2.68Å; F53-K55 VanDerWaalsContact C-N 3.28Å; F53-K55 PolarHBondContact O-N 3.29Å; K55-F57 PolarHBondContact O-N 3.33Å; K55-G58 PolarHBondContact O-N 3.13Å; K55-G58 VanDerWaalsContact O-N 3.13Å; K55-I60 HydrophobicContact CG-CD1 3.88Å; K55-I60 HydrophobicContact CG-CG1 4.29Å
56S93.9Very high92.6Very high89 Ų8935.8 Ų35.862%0.62219%0.188SC*.G310 helixtrans-62.4-25.4175.666.10000113.2F53 F54F53-S56 WeakPolarHBondContact O-CB 3.43Å; F53-S56 PolarHBondContact O-N 2.96Å; F53-S56 VanDerWaalsContact O-N 3.16Å; F53-S56 PolarHBondContact O-OG 3.06Å; F54-S56 PolarHBondContact O-N 3.5Å
57F94.2Very high92.4Very high16 Ų1635.7 Ų35.77%0.0719%0.189CC..G310 helixtrans-84.3-18.7176.5-62.6-85.9000113.1F53 F54 K55 C81 K84 I85F53-F57 HydrophobicContact CD1-CE2 4.5Å; F53-F57 AromaticContact CE1-CE2 3.87Å; F53-F57 HydrophobicContact CE1-CE2 3.87Å; F53-F57 HydrophobicContact CZ-CE2 4.19Å; F54-F57 AromaticContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CD2 3.97Å; F54-F57 HydrophobicContact CD1-CE2 4.18Å; F54-F57 HydrophobicContact CE1-CE2 4.45Å; F54-F57 PolarHBondContact O-N 3.13Å; F54-F57 VanDerWaalsContact O-N 3.09Å; K55-F57 PolarHBondContact O-N 3.33Å; F57-C81 PolarHBondContact O-SG 3.17Å; F57-K84 HydrophobicContact CD1-CB 4.11Å; F57-I85 HydrophobicContact CB-CD1 4.08Å; F57-I85 HydrophobicContact CB-CG1 3.8Å; F57-I85 HydrophobicContact CD1-CB 4.44Å; F57-I85 HydrophobicContact CD1-CG1 3.48Å; F57-I85 VanDerWaalsContact CD1-CG1 3.48Å; F57-I85 HydrophobicContact CD2-CD1 4.33Å; F57-I85 HydrophobicContact CD2-CG1 3.9Å; F57-I85 HydrophobicContact CE1-CG1 3.98Å; F57-I85 HydrophobicContact CE2-CG1 4.36Å; F57-I85 HydrophobicContact CG-CD1 4.09Å; F57-I85 HydrophobicContact CG-CG1 3.44Å; F57-I85 VanDerWaalsContact CG-CG1 3.44Å; F57-I85 HydrophobicContact CZ-CG1 4.39Å
58G94.3Very high92.1Very high22 Ų2239.3 Ų39.323%0.22721%0.212CC..SBendtrans150.2-172.7173.200000113.7K55 I60K55-G58 PolarHBondContact O-N 3.13Å; K55-G58 VanDerWaalsContact O-N 3.13Å; G58-I60 PolarHBondContact O-N 3.17Å
59E95.2Very high92Very high91 Ų9138.8 Ų38.843%0.42521%0.211SC..  trans-70.3118.5-174.6-171.4-179-174.400112F76 N77 K153E59-F76 CarbonylContact O-C 3.56Å; E59-F76 WeakPolarHBondContact O-CA 3.36Å; E59-N77 HydrophobicContact CB-CB 4.13Å; E59-N77 HydrophobicContact CG-CB 4.44Å; E59-N77 PolarHBondContact O-N 3.14Å; E59-N77 PolarHBondContact OE2-ND2 3.37Å; E59-K153 IonicContact OE1-NZ 2.66Å; E59-K153 PolarHBondContact OE1-NZ 2.95Å
60I94.9Very high92Very high16 Ų1640.3 Ų40.38%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-87.9130.3176.2-57.9173.2000109.7L51 F54 K55 G58 S62 F74 F76L51-I60 HydrophobicContact CG-CD1 4.48Å; F54-I60 HydrophobicContact CB-CD1 3.86Å; K55-I60 HydrophobicContact CG-CD1 3.88Å; K55-I60 HydrophobicContact CG-CG1 4.29Å; G58-I60 PolarHBondContact O-N 3.17Å; I60-S62 WeakPolarHBondContact CG2-O 3.28Å; I60-F74 HydrophobicContact CD1-CD1 3.72Å; I60-F74 HydrophobicContact CD1-CE1 3.85Å; I60-F74 HydrophobicContact CG1-CD1 4.37Å; I60-F74 HydrophobicContact CG2-CD1 4.16Å; I60-F76 HydrophobicContact CD1-CE1 4.39Å; I60-F76 HydrophobicContact CG1-CD1 3.99Å; I60-F76 HydrophobicContact CG1-CE1 3.58Å; I60-F76 HydrophobicContact CG1-CZ 4.26Å
61T94.5Very high92Very high52 Ų5243.4 Ų43.432%0.31924%0.235SC..EExtended strand (participates in β ladder)trans-96-35.3175.259.40000112.1E75 N77 K153T61-E75 PolarHBondContact N-O 3.41Å; T61-E75 PolarHBondContact OG1-O 2.9Å; T61-N77 HydrophobicContact CG2-CB 4.06Å; T61-K153 PolarHBondContact O-N 3.13Å
62S93.8Very high92.1Very high14 Ų1442 Ų4210%0.09823%0.228CC..EExtended strand (participates in β ladder)trans-150.8144.9-179.5-172.40000110.9I60 E75I60-S62 WeakPolarHBondContact CG2-O 3.28Å; S62-E75 PolarHBondContact N-O 3.18Å; S62-E75 PolarHBondContact O-N 3.28Å
63L93Very high92.3Very high0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-125.2126168.2160.461.4000107.7A47 L51 C72 V73 F74 T150 V151A47-L63 HydrophobicContact CB-CD2 3.95Å; A47-L63 WeakPolarHBondContact O-CD2 3.47Å; L51-L63 HydrophobicContact CB-CD2 4.14Å; L51-L63 HydrophobicContact CD1-CD2 4.43Å; L63-C72 HydrophobicContact CD1-CB 3.73Å; L63-V73 CarbonylContact C-O 3.58Å; L63-V73 WeakPolarHBondContact CA-O 3.49Å; L63-F74 HydrophobicContact CB-CD1 4.18Å; L63-F74 HydrophobicContact CB-CE1 4.19Å; L63-F74 HydrophobicContact CD1-CD1 3.93Å; L63-F74 HydrophobicContact CD1-CD2 4.5Å; L63-F74 HydrophobicContact CD1-CE1 3.59Å; L63-F74 HydrophobicContact CD1-CE2 4.19Å; L63-F74 HydrophobicContact CD1-CG 4.4Å; L63-F74 HydrophobicContact CD1-CZ 3.73Å; L63-F74 HydrophobicContact CD2-CE1 4.09Å; L63-F74 HydrophobicContact CG-CE1 4.16Å; L63-T150 CarbonylContact O-C 3.52Å; L63-T150 WeakPolarHBondContact O-CA 3.48Å; L63-V151 HydrophobicContact CB-CB 4.29Å; L63-V151 PolarHBondContact N-O 3.06Å; L63-V151 PolarHBondContact O-N 2.93Å
64R92.1Very high92.4Very high65 Ų6537.8 Ų37.825%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-106.7126.5164.4-66.6-177.8-77.9161.9-7.2108.8C72 V73 E75 W148 I149 T150R64-C72 CarbonylContact O-C 3.59Å; R64-C72 WeakPolarHBondContact O-CA 3.35Å; R64-C72 WeakPolarHBondContact O-CB 3.37Å; R64-V73 HydrophobicContact CB-CB 4.25Å; R64-V73 PolarHBondContact N-O 3.16Å; R64-V73 PolarHBondContact O-N 3.3Å; R64-E75 IonicContact NH2-OE1 3.13Å; R64-W148 HydrophobicContact CB-CB 4.31Å; R64-W148 HydrophobicContact CB-CD2 4.14Å; R64-W148 HydrophobicContact CB-CE3 3.64Å; R64-W148 HydrophobicContact CB-CG 4.45Å; R64-W148 HydrophobicContact CB-CZ3 4.26Å; R64-W148 WeakPolarHBondContact O-CZ3 3.33Å; R64-I149 CarbonylContact C-O 3.59Å; R64-I149 VanDerWaalsContact CA-O 3.25Å; R64-I149 WeakPolarHBondContact CA-O 3.48Å; R64-T150 HydrophobicContact CG-CG2 4.27Å
65Y89.3Confident92.5Very high14 Ų1441 Ų416%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-125.5128-177.6175-135.1000110.6V41 M45 A47 L50 P67 R71 C72 I149V41-Y65 HydrophobicContact CB-CE2 4.47Å; V41-Y65 HydrophobicContact CG1-CE2 3.75Å; M45-Y65 PolarHBondContact O-OH 3.09Å; A47-Y65 HydrophobicContact CB-CD1 4.14Å; L50-Y65 HydrophobicContact CD1-CD2 3.89Å; L50-Y65 HydrophobicContact CD1-CE2 3.96Å; L50-Y65 HydrophobicContact CD1-CG 4.27Å; Y65-P67 HydrophobicContact CD1-CG 3.99Å; Y65-P67 HydrophobicContact CE1-CB 4.19Å; Y65-P67 HydrophobicContact CE1-CG 3.51Å; Y65-P67 HydrophobicContact CE2-CG 4.38Å; Y65-P67 WeakPolarHBondContact O-CD 3.07Å; Y65-R71 WeakPolarHBondContact CD2-O 3.06Å; Y65-C72 HydrophobicContact CD2-CB 4.09Å; Y65-I149 HydrophobicContact CD1-CD1 4.17Å; Y65-I149 PolarHBondContact N-O 3.04Å; Y65-I149 WeakPolarHBondContact O-CB 3.47Å; Y65-I149 WeakPolarHBondContact O-CG1 3.44Å; Y65-I149 PolarHBondContact O-N 3.04Å
66S87.7Confident92.6Very high1 Ų136.1 Ų36.11%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-118.493.1175.2178.70000108.5P68 E69 A70 R71S66-P68 VanDerWaalsContact C-CD 3.43Å; S66-E69 VanDerWaalsContact CB-OE2 3.28Å; S66-E69 WeakPolarHBondContact CB-OE2 3.13Å; S66-E69 PolarHBondContact O-N 3.12Å; S66-E69 WeakPolarHBondContact OG-CB 3.26Å; S66-E69 WeakPolarHBondContact OG-CG 3.38Å; S66-E69 PolarHBondContact OG-OE2 3.15Å; S66-A70 PolarHBondContact O-N 2.57Å; S66-A70 VanDerWaalsContact O-N 3.14Å; S66-R71 PolarHBondContact N-O 3.26Å; S66-R71 PolarHBondContact O-N 2.77Å
67P83.6Confident92.7Very high25 Ų2535.2 Ų35.216%0.16219%0.188CC..THydrogen-bonded Turntrans-54.2-44.3173-14.919.4000114Y65 E69 A70 M137 I149Y65-P67 HydrophobicContact CD1-CG 3.99Å; Y65-P67 HydrophobicContact CE1-CB 4.19Å; Y65-P67 HydrophobicContact CE1-CG 3.51Å; Y65-P67 HydrophobicContact CE2-CG 4.38Å; Y65-P67 WeakPolarHBondContact O-CD 3.07Å; P67-E69 PolarHBondContact O-N 3.46Å; P67-A70 PolarHBondContact O-N 2.95Å; P67-M137 HydrophobicContact CB-CE 4.37Å; P67-M137 HydrophobicContact CB-SD 3.66Å; P67-I149 HydrophobicContact CG-CD1 3.92Å
68P82.5Confident92.8Very high88 Ų8839.3 Ų39.357%0.57121%0.207SC*.THydrogen-bonded Turntrans-60.6-34.1-179.2-18.927.6000113.7S66 M137S66-P68 VanDerWaalsContact C-CD 3.43Å; P68-M137 HydrophobicContact CB-CE 3.93Å; P68-M137 HydrophobicContact CG-CE 3.6Å
69E86.4Confident92.9Very high90 Ų9040.9 Ų40.942%0.42122%0.215SC..THydrogen-bonded Turntrans-96.93.6-176.8-59.7172.8132.900112.5S66 P67 R71S66-E69 VanDerWaalsContact CB-OE2 3.28Å; S66-E69 WeakPolarHBondContact CB-OE2 3.13Å; S66-E69 PolarHBondContact O-N 3.12Å; S66-E69 WeakPolarHBondContact OG-CB 3.26Å; S66-E69 WeakPolarHBondContact OG-CG 3.38Å; S66-E69 PolarHBondContact OG-OE2 3.15Å; P67-E69 PolarHBondContact O-N 3.46Å; E69-R71 HydrophobicContact CB-CG 3.69Å; E69-R71 VanDerWaalsContact CD-CZ 3.47Å; E69-R71 VanDerWaalsContact CD-NE 3.32Å; E69-R71 PolarHBondContact O-N 3.1Å; E69-R71 IonicContact OE1-CZ 2.65Å; E69-R71 IonicContact OE1-NE 2.8Å; E69-R71 IonicContact OE1-NH2 3.48Å; E69-R71 PolarHBondContact OE1-NH2 2.99Å; E69-R71 IonicContact OE2-CZ 3.53Å; E69-R71 IonicContact OE2-NE 2.74Å; E69-R71 PolarHBondContact OE2-NE 2.93Å; E69-R71 IonicContact OE2-NH2 3.07Å; E69-R71 PolarHBondContact OE2-NH2 2.92Å
70A91.3Very high93Very high35 Ų3542.5 Ų42.529%0.28922%0.223SC..THydrogen-bonded Turntrans4943-177.500000113N40 V41 S66 P67N40-A70 PolarHBondContact N-O 3.37Å; V41-A70 PolarHBondContact N-O 3.48Å; S66-A70 PolarHBondContact O-N 2.57Å; S66-A70 VanDerWaalsContact O-N 3.14Å; P67-A70 PolarHBondContact O-N 2.95Å
71R94.2Very high93.1Very high65 Ų6542 Ų4225%0.24522%0.22CC..EExtended strand (participates in β ladder)trans-139153-178.660.2177.9-173.5179.51.5113.6L37 I38 Y39 Y65 S66 E69 W148L37-R71 HydrophobicContact CD1-CB 4.17Å; I38-R71 CarbonylContact O-C 3.57Å; I38-R71 WeakPolarHBondContact O-CA 3.34Å; I38-R71 VanDerWaalsContact O-CB 3.29Å; I38-R71 WeakPolarHBondContact O-CB 3.38Å; Y39-R71 HydrophobicContact CD1-CB 4.46Å; Y65-R71 WeakPolarHBondContact CD2-O 3.06Å; S66-R71 PolarHBondContact N-O 3.26Å; S66-R71 PolarHBondContact O-N 2.77Å; E69-R71 HydrophobicContact CB-CG 3.69Å; E69-R71 VanDerWaalsContact CD-CZ 3.47Å; E69-R71 VanDerWaalsContact CD-NE 3.32Å; E69-R71 PolarHBondContact O-N 3.1Å; E69-R71 IonicContact OE1-CZ 2.65Å; E69-R71 IonicContact OE1-NE 2.8Å; E69-R71 IonicContact OE1-NH2 3.48Å; E69-R71 PolarHBondContact OE1-NH2 2.99Å; E69-R71 IonicContact OE2-CZ 3.53Å; E69-R71 IonicContact OE2-NE 2.74Å; E69-R71 PolarHBondContact OE2-NE 2.93Å; E69-R71 IonicContact OE2-NH2 3.07Å; E69-R71 PolarHBondContact OE2-NH2 2.92Å; R71-W148 HydrophobicContact CB-CH2 4.26Å; R71-W148 HydrophobicContact CG-CH2 3.49Å; R71-W148 VanDerWaalsContact CG-CH2 3.49Å; R71-W148 HydrophobicContact CG-CZ2 4.12Å; R71-W148 HydrophobicContact CG-CZ3 4.07Å
72C95.1Very high93.2Very high0 Ų039.5 Ų39.50%021%0.205CC..EExtended strand (participates in β ladder)trans-136.5146.817153.80000111.9I38 V41 L50 L63 R64 Y65 F74I38-C72 PolarHBondContact N-O 3.31Å; I38-C72 PolarHBondContact O-N 3.14Å; V41-C72 HydrophobicContact CG2-CB 4.39Å; V41-C72 VanDerWaalsContact CG2-SG 3.54Å; L50-C72 HydrophobicContact CD1-CB 4.47Å; L63-C72 HydrophobicContact CD1-CB 3.73Å; R64-C72 CarbonylContact O-C 3.59Å; R64-C72 WeakPolarHBondContact O-CA 3.35Å; R64-C72 WeakPolarHBondContact O-CB 3.37Å; Y65-C72 HydrophobicContact CD2-CB 4.09Å; C72-F74 HydrophobicContact CB-CE2 4.2Å; C72-F74 WeakPolarHBondContact SG-CE2 3.5Å
73V96.7Very high93.3Very high4 Ų442.6 Ų42.62%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-110.8128.9169.8178.20000108.4L31 V36 L37 L63 R64 W148L31-V73 HydrophobicContact CD2-CG1 3.77Å; L31-V73 HydrophobicContact CD2-CG2 4.16Å; V36-V73 WeakPolarHBondContact O-CA 3.37Å; L37-V73 HydrophobicContact CB-CG2 4.4Å; L37-V73 HydrophobicContact CD1-CG2 3.66Å; L63-V73 CarbonylContact C-O 3.58Å; L63-V73 WeakPolarHBondContact CA-O 3.49Å; R64-V73 HydrophobicContact CB-CB 4.25Å; R64-V73 PolarHBondContact N-O 3.16Å; R64-V73 PolarHBondContact O-N 3.3Å; V73-W148 HydrophobicContact CG2-CH2 3.71Å; V73-W148 HydrophobicContact CG2-CZ2 4.23Å; V73-W148 HydrophobicContact CG2-CZ3 4.15Å
74F97.2Very high93.4Very high0 Ų048 Ų480%024%0.242CC..EExtended strand (participates in β ladder)trans-109.3138171.5-67.7-87.5000110.6S35 V36 I38 L50 F54 I60 L63 C72 F76S35-F74 VanDerWaalsContact CA-O 3.23Å; S35-F74 WeakPolarHBondContact CA-O 3.49Å; V36-F74 HydrophobicContact CG1-CB 3.95Å; V36-F74 HydrophobicContact CG1-CD2 4.45Å; V36-F74 PolarHBondContact N-O 3.18Å; V36-F74 PolarHBondContact O-N 2.88Å; I38-F74 HydrophobicContact CG1-CD2 3.9Å; I38-F74 HydrophobicContact CG1-CE2 4.03Å; L50-F74 HydrophobicContact CB-CZ 4.04Å; F54-F74 HydrophobicContact CB-CD1 4.07Å; F54-F74 HydrophobicContact CB-CD2 4.49Å; F54-F74 HydrophobicContact CB-CE1 3.68Å; F54-F74 HydrophobicContact CB-CE2 4.15Å; F54-F74 HydrophobicContact CB-CG 4.43Å; F54-F74 HydrophobicContact CB-CZ 3.71Å; F54-F74 HydrophobicContact CD1-CD2 4.29Å; F54-F74 HydrophobicContact CD1-CE2 4.16Å; F54-F74 HydrophobicContact CD2-CD2 4.05Å; F54-F74 AromaticContact CD2-CE1 3.99Å; F54-F74 HydrophobicContact CD2-CE1 3.99Å; F54-F74 AromaticContact CD2-CE2 3.15Å; F54-F74 HydrophobicContact CD2-CE2 3.15Å; F54-F74 AromaticContact CD2-CZ 3.1Å; F54-F74 HydrophobicContact CD2-CZ 3.1Å; F54-F74 HydrophobicContact CE1-CE2 4.39Å; F54-F74 HydrophobicContact CE2-CD2 4.35Å; F54-F74 AromaticContact CE2-CE2 3.45Å; F54-F74 HydrophobicContact CE2-CE2 3.45Å; F54-F74 VanDerWaalsContact CE2-CE2 3.45Å; F54-F74 AromaticContact CE2-CZ 3.84Å; F54-F74 HydrophobicContact CE2-CZ 3.84Å; F54-F74 HydrophobicContact CG-CD1 4.46Å; F54-F74 HydrophobicContact CG-CD2 4.01Å; F54-F74 HydrophobicContact CG-CE1 4.03Å; F54-F74 AromaticContact CG-CE2 3.55Å; F54-F74 HydrophobicContact CG-CE2 3.55Å; F54-F74 HydrophobicContact CG-CG 4.42Å; F54-F74 AromaticContact CG-CZ 3.54Å; F54-F74 HydrophobicContact CG-CZ 3.54Å; F54-F74 HydrophobicContact CZ-CE2 4.07Å; I60-F74 HydrophobicContact CD1-CD1 3.72Å; I60-F74 HydrophobicContact CD1-CE1 3.85Å; I60-F74 HydrophobicContact CG1-CD1 4.37Å; I60-F74 HydrophobicContact CG2-CD1 4.16Å; L63-F74 HydrophobicContact CB-CD1 4.18Å; L63-F74 HydrophobicContact CB-CE1 4.19Å; L63-F74 HydrophobicContact CD1-CD1 3.93Å; L63-F74 HydrophobicContact CD1-CD2 4.5Å; L63-F74 HydrophobicContact CD1-CE1 3.59Å; L63-F74 HydrophobicContact CD1-CE2 4.19Å; L63-F74 HydrophobicContact CD1-CG 4.4Å; L63-F74 HydrophobicContact CD1-CZ 3.73Å; L63-F74 HydrophobicContact CD2-CE1 4.09Å; L63-F74 HydrophobicContact CG-CE1 4.16Å; C72-F74 HydrophobicContact CB-CE2 4.2Å; C72-F74 WeakPolarHBondContact SG-CE2 3.5Å; F74-F76 HydrophobicContact CB-CD2 4.33Å; F74-F76 HydrophobicContact CB-CE2 3.58Å; F74-F76 HydrophobicContact CB-CZ 3.93Å; F74-F76 HydrophobicContact CG-CZ 4.47Å
75E97.1Very high93.5Very high69 Ų6945 Ų4532%0.32223%0.23SC..EExtended strand (participates in β ladder)trans-115.3123.1170.2-63.3176.1-172.300109.3K34 T61 S62 R64K34-E75 CarbonylContact O-C 3.53Å; K34-E75 WeakPolarHBondContact O-CA 3.39Å; T61-E75 PolarHBondContact N-O 3.41Å; T61-E75 PolarHBondContact OG1-O 2.9Å; S62-E75 PolarHBondContact N-O 3.18Å; S62-E75 PolarHBondContact O-N 3.28Å; R64-E75 IonicContact NH2-OE1 3.13Å
76F97.1Very high93.8Very high3 Ų345.5 Ų45.51%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-101.8157.5-177.4-66.5-87.6000111.7K34 V36 E59 I60 F74 E78 C81 V82 I85K34-F76 WeakPolarHBondContact CB-O 3.21Å; K34-F76 PolarHBondContact O-N 3.21Å; V36-F76 HydrophobicContact CG1-CE2 3.81Å; E59-F76 CarbonylContact O-C 3.56Å; E59-F76 WeakPolarHBondContact O-CA 3.36Å; I60-F76 HydrophobicContact CD1-CE1 4.39Å; I60-F76 HydrophobicContact CG1-CD1 3.99Å; I60-F76 HydrophobicContact CG1-CE1 3.58Å; I60-F76 HydrophobicContact CG1-CZ 4.26Å; F74-F76 HydrophobicContact CB-CD2 4.33Å; F74-F76 HydrophobicContact CB-CE2 3.58Å; F74-F76 HydrophobicContact CB-CZ 3.93Å; F74-F76 HydrophobicContact CG-CZ 4.47Å; F76-E78 VanDerWaalsContact C-N 3.29Å; F76-E78 PolarHBondContact O-N 3.22Å; F76-C81 HydrophobicContact CB-CB 3.65Å; F76-C81 HydrophobicContact CD1-CB 3.53Å; F76-C81 HydrophobicContact CD2-CB 4.16Å; F76-C81 HydrophobicContact CE1-CB 4.21Å; F76-C81 HydrophobicContact CG-CB 3.5Å; F76-V82 HydrophobicContact CD2-CG2 4.04Å; F76-I85 HydrophobicContact CE2-CD1 3.6Å; F76-I85 HydrophobicContact CZ-CD1 3.51Å
77N95.9Very high94.1Very high69 Ų6949.5 Ų49.537%0.36926%0.258SS..SBendtrans-66.7-34.7173.9-167.525.8000111.6K34 E59 T61K34-N77 WeakPolarHBondContact CD-O 3.49Å; K34-N77 VanDerWaalsContact CE-O 3.27Å; K34-N77 WeakPolarHBondContact CE-O 3.3Å; K34-N77 PolarHBondContact NZ-O 3.03Å; E59-N77 HydrophobicContact CB-CB 4.13Å; E59-N77 HydrophobicContact CG-CB 4.44Å; E59-N77 PolarHBondContact O-N 3.14Å; E59-N77 PolarHBondContact OE2-ND2 3.37Å; T61-N77 HydrophobicContact CG2-CB 4.06Å
78E97.2Very high94.4Very high103 Ų10348.4 Ų48.448%0.48125%0.251SS..SBendtrans-121.5143.4-175.9-62.6-178.8-175.500112.3F76 Q80 C81F76-E78 VanDerWaalsContact C-N 3.29Å; F76-E78 PolarHBondContact O-N 3.22Å; E78-Q80 VanDerWaalsContact C-N 3.26Å; E78-Q80 PolarHBondContact O-N 3.05Å; E78-C81 WeakPolarHBondContact O-CB 3.27Å; E78-C81 PolarHBondContact O-N 2.86Å
79S96.4Very high94.8Very high55 Ų5545.7 Ų45.739%0.38523%0.233SC..Hα-helixtrans-67.8-27.4178.253.70000113K33 C81 V82 E83K33-S79 WeakPolarHBondContact O-CA 3.48Å; K33-S79 WeakPolarHBondContact O-CB 2.97Å; S79-C81 PolarHBondContact O-N 3.49Å; S79-V82 WeakPolarHBondContact O-CB 3.36Å; S79-V82 PolarHBondContact O-N 3.43Å; S79-V82 VanDerWaalsContact O-N 3.14Å; S79-E83 PolarHBondContact O-N 3.12Å
80Q96.7Very high94.9Very high125 Ų12546.3 Ų46.358%0.58424%0.237SC*.Hα-helixtrans-62.9-26.5178.1-63.8-1797.200112.3E78 V82 E83 K84E78-Q80 VanDerWaalsContact C-N 3.26Å; E78-Q80 PolarHBondContact O-N 3.05Å; Q80-V82 VanDerWaalsContact C-N 3.33Å; Q80-V82 PolarHBondContact O-N 2.8Å; Q80-E83 PolarHBondContact O-N 2.81Å; Q80-K84 WeakPolarHBondContact O-CG 3.44Å; Q80-K84 PolarHBondContact O-N 2.9Å
81C96.4Very high94.7Very high5 Ų549 Ų493%0.03425%0.246CC..Hα-helixtrans-62.8-40.2174.9-60.40000111.9F57 F76 E78 S79 K84 I85F57-C81 PolarHBondContact O-SG 3.17Å; F76-C81 HydrophobicContact CB-CB 3.65Å; F76-C81 HydrophobicContact CD1-CB 3.53Å; F76-C81 HydrophobicContact CD2-CB 4.16Å; F76-C81 HydrophobicContact CE1-CB 4.21Å; F76-C81 HydrophobicContact CG-CB 3.5Å; E78-C81 WeakPolarHBondContact O-CB 3.27Å; E78-C81 PolarHBondContact O-N 2.86Å; S79-C81 PolarHBondContact O-N 3.49Å; C81-K84 PolarHBondContact O-N 2.87Å; C81-I85 WeakPolarHBondContact O-CG1 3.49Å; C81-I85 PolarHBondContact O-N 2.94Å
82V97.1Very high94.5Very high0 Ų048.3 Ų48.30%025%0.25CC..Hα-helixtrans-65.2-44.2175.5177.30000110.1K30 K34 V36 F76 S79 Q80 K84 I85 L86K30-V82 HydrophobicContact CG-CG1 4.17Å; K34-V82 VanDerWaalsContact C-CG2 3.43Å; V36-V82 HydrophobicContact CB-CG1 4.35Å; F76-V82 HydrophobicContact CD2-CG2 4.04Å; S79-V82 WeakPolarHBondContact O-CB 3.36Å; S79-V82 PolarHBondContact O-N 3.43Å; S79-V82 VanDerWaalsContact O-N 3.14Å; Q80-V82 VanDerWaalsContact C-N 3.33Å; Q80-V82 PolarHBondContact O-N 2.8Å; V82-K84 VanDerWaalsContact C-N 3.35Å; V82-K84 PolarHBondContact O-N 2.89Å; V82-I85 WeakPolarHBondContact O-CB 3.42Å; V82-I85 PolarHBondContact O-N 2.9Å; V82-I85 VanDerWaalsContact O-N 3.15Å; V82-L86 HydrophobicContact CG1-CD1 3.72Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CG 3.49Å; V82-L86 PolarHBondContact O-N 2.85Å
83E95.6Very high94.3Very high79 Ų7951.7 Ų51.737%0.36927%0.27SS..Hα-helixtrans-61.2-42.5178.3-59.8-55.4151.800111.8K30 S79 Q80 I85 L86 V87K30-E83 IonicContact NZ-OE1 3.46Å; K30-E83 PolarHBondContact NZ-OE1 3.41Å; S79-E83 PolarHBondContact O-N 3.12Å; Q80-E83 PolarHBondContact O-N 2.81Å; E83-I85 PolarHBondContact O-N 2.92Å; E83-L86 PolarHBondContact O-N 2.8Å; E83-L86 VanDerWaalsContact O-N 3.12Å; E83-V87 WeakPolarHBondContact O-CG1 3.31Å; E83-V87 VanDerWaalsContact O-CG2 3.27Å; E83-V87 WeakPolarHBondContact O-CG2 3.29Å; E83-V87 PolarHBondContact O-N 3.36Å
84K95Very high94.2Very high114 Ų11453.9 Ų53.950%0.49628%0.279SS..Hα-helixtrans-55.1-39.9175-73.4175.4-176.71770112.6F57 Q80 C81 V82 S88F57-K84 HydrophobicContact CD1-CB 4.11Å; Q80-K84 WeakPolarHBondContact O-CG 3.44Å; Q80-K84 PolarHBondContact O-N 2.9Å; C81-K84 PolarHBondContact O-N 2.87Å; V82-K84 VanDerWaalsContact C-N 3.35Å; V82-K84 PolarHBondContact O-N 2.89Å; K84-S88 PolarHBondContact O-N 2.83Å
85I95.8Very high94Very high0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-68.2-47.8177.5-66168.1000110.2I14 A28 V36 F54 F57 F76 C81 V82 E83 V87 S88I14-I85 HydrophobicContact CD1-CG2 3.59Å; A28-I85 HydrophobicContact CB-CG2 3.76Å; V36-I85 HydrophobicContact CG1-CD1 4Å; V36-I85 HydrophobicContact CG2-CG2 4.35Å; F54-I85 HydrophobicContact CD1-CD1 3.88Å; F54-I85 HydrophobicContact CE1-CD1 4.13Å; F54-I85 HydrophobicContact CE1-CG2 4.46Å; F57-I85 HydrophobicContact CB-CD1 4.08Å; F57-I85 HydrophobicContact CB-CG1 3.8Å; F57-I85 HydrophobicContact CD1-CB 4.44Å; F57-I85 HydrophobicContact CD1-CG1 3.48Å; F57-I85 VanDerWaalsContact CD1-CG1 3.48Å; F57-I85 HydrophobicContact CD2-CD1 4.33Å; F57-I85 HydrophobicContact CD2-CG1 3.9Å; F57-I85 HydrophobicContact CE1-CG1 3.98Å; F57-I85 HydrophobicContact CE2-CG1 4.36Å; F57-I85 HydrophobicContact CG-CD1 4.09Å; F57-I85 HydrophobicContact CG-CG1 3.44Å; F57-I85 VanDerWaalsContact CG-CG1 3.44Å; F57-I85 HydrophobicContact CZ-CG1 4.39Å; F76-I85 HydrophobicContact CE2-CD1 3.6Å; F76-I85 HydrophobicContact CZ-CD1 3.51Å; C81-I85 WeakPolarHBondContact O-CG1 3.49Å; C81-I85 PolarHBondContact O-N 2.94Å; V82-I85 WeakPolarHBondContact O-CB 3.42Å; V82-I85 PolarHBondContact O-N 2.9Å; V82-I85 VanDerWaalsContact O-N 3.15Å; E83-I85 PolarHBondContact O-N 2.92Å; I85-V87 VanDerWaalsContact C-N 3.26Å; I85-V87 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-CB 3.27Å; I85-S88 WeakPolarHBondContact O-CB 3.27Å; I85-S88 PolarHBondContact O-N 2.66Å; I85-S88 VanDerWaalsContact O-N 3.14Å; I85-S88 PolarHBondContact O-OG 2.92Å
86L95.6Very high93.8Very high26 Ų2658.2 Ų58.214%0.13630%0.299CS..Hα-helixtrans-69.4-20.9-175.8-63.5173.9000113.8T12 A28 K30 V82 E83T12-L86 VanDerWaalsContact CG2-O 3.28Å; T12-L86 WeakPolarHBondContact CG2-O 3.28Å; T12-L86 PolarHBondContact OG1-O 3.13Å; A28-L86 HydrophobicContact CB-CD2 4.19Å; K30-L86 HydrophobicContact CB-CD1 3.76Å; K30-L86 HydrophobicContact CD-CD1 3.91Å; K30-L86 HydrophobicContact CG-CD1 4.09Å; V82-L86 HydrophobicContact CG1-CD1 3.72Å; V82-L86 HydrophobicContact CG1-CG 4.23Å; V82-L86 WeakPolarHBondContact O-CG 3.49Å; V82-L86 PolarHBondContact O-N 2.85Å; E83-L86 PolarHBondContact O-N 2.8Å; E83-L86 VanDerWaalsContact O-N 3.12Å
87V93.5Very high93.5Very high85 Ų8563.8 Ų63.852%0.51533%0.329SS..THydrogen-bonded Turntrans-100.915.1174.1-52.80000113.5E83 I85E83-V87 WeakPolarHBondContact O-CG1 3.31Å; E83-V87 VanDerWaalsContact O-CG2 3.27Å; E83-V87 WeakPolarHBondContact O-CG2 3.29Å; E83-V87 PolarHBondContact O-N 3.36Å; I85-V87 VanDerWaalsContact C-N 3.26Å; I85-V87 PolarHBondContact O-N 3.45Å
88S90.4Very high93Very high1 Ų162.9 Ų62.91%0.00732%0.324CS..  trans-53.3124.2177.3-70.20000111.1P5 K84 I85 Y94P5-S88 VanDerWaalsContact CA-O 3.28Å; P5-S88 WeakPolarHBondContact CA-O 3.15Å; P5-S88 WeakPolarHBondContact CB-O 3.44Å; K84-S88 PolarHBondContact O-N 2.83Å; I85-S88 VanDerWaalsContact O-CB 3.27Å; I85-S88 WeakPolarHBondContact O-CB 3.27Å; I85-S88 PolarHBondContact O-N 2.66Å; I85-S88 VanDerWaalsContact O-N 3.14Å; I85-S88 PolarHBondContact O-OG 2.92Å; S88-Y94 PolarHBondContact OG-OH 3Å
89P90.1Very high92.3Very high31 Ų3160.1 Ų60.120%0.20131%0.314CS..  trans-65.7137.1-176.5-2232.9000112.7N3 N91 T92N3-P89 HydrophobicContact CB-CB 4.47Å; P89-N91 VanDerWaalsContact CB-OD1 3.24Å; P89-N91 WeakPolarHBondContact CB-OD1 3.41Å; P89-N91 PolarHBondContact O-N 3.46Å; P89-T92 PolarHBondContact O-N 2.84Å
90M88Confident91.3Very high103 Ų10365 Ų6551%0.50734%0.336SS..THydrogen-bonded Turntrans-60.1-30.2178.5179.6177.767.900113.9E4 L6 T92E4-M90 PolarHBondContact O-N 3.24Å; E4-M90 VanDerWaalsContact O-N 3.14Å; L6-M90 HydrophobicContact CB-CB 3.8Å; L6-M90 HydrophobicContact CB-CG 3.63Å; L6-M90 HydrophobicContact CB-SD 3.73Å; L6-M90 HydrophobicContact CD1-SD 3.83Å; L6-M90 HydrophobicContact CD2-CG 4.11Å; L6-M90 HydrophobicContact CD2-SD 3.94Å; L6-M90 HydrophobicContact CG-CG 4.37Å; L6-M90 HydrophobicContact CG-SD 4.03Å; M90-T92 VanDerWaalsContact C-N 3.27Å; M90-T92 PolarHBondContact O-N 2.93Å
91N88.1Confident89.9Confident91 Ų9161.7 Ų61.749%0.48732%0.321SS..THydrogen-bonded Turntrans-84.42.1-176.861.9-5000113.8N3 P89N3-N91 PolarHBondContact OD1-ND2 2.66Å; P89-N91 VanDerWaalsContact CB-OD1 3.24Å; P89-N91 WeakPolarHBondContact CB-OD1 3.41Å; P89-N91 PolarHBondContact O-N 3.46Å
92T89.7Confident88.6Confident51 Ų5168.6 Ų68.631%0.31336%0.358SS..  trans-107112-178.5-59.20000110.1P15 P89 M90 Y94P15-T92 VanDerWaalsContact CG-O 3.29Å; P15-T92 WeakPolarHBondContact CG-O 3.34Å; P89-T92 PolarHBondContact O-N 2.84Å; M90-T92 VanDerWaalsContact C-N 3.27Å; M90-T92 PolarHBondContact O-N 2.93Å; T92-Y94 HydrophobicContact CG2-CD1 4.1Å; T92-Y94 HydrophobicContact CG2-CE1 3.76Å; T92-Y94 HydrophobicContact CG2-CE2 4.23Å; T92-Y94 HydrophobicContact CG2-CG 4.47Å
93T91.9Very high87.1Confident71 Ų7171.5 Ų71.544%0.43637%0.373SS..  trans-92.6114.7168.4-560000109.1P15 T23P15-T93 HydrophobicContact CB-CG2 4.41Å; P15-T93 WeakPolarHBondContact O-CA 3.36Å; T23-T93 HydrophobicContact CG2-CG2 4.29Å
94Y92.9Very high85.6Confident51 Ų5170.6 Ų70.620%0.237%0.374CS..EExtended strand (participates in β ladder)trans-81.2139.5-179.9-56.2-86.6000111.1I14 P15 V16 S17 F53 S88 T92I14-Y94 HydrophobicContact CG2-CD2 3.87Å; I14-Y94 HydrophobicContact CG2-CE2 3.99Å; P15-Y94 WeakPolarHBondContact O-CD2 3.36Å; P15-Y94 PolarHBondContact O-N 2.65Å; V16-Y94 CarbonylContact C-O 3.56Å; V16-Y94 WeakPolarHBondContact CA-O 3.46Å; S17-Y94 PolarHBondContact N-O 3.12Å; F53-Y94 HydrophobicContact CE2-CG 4.33Å; F53-Y94 HydrophobicContact CZ-CD2 4.44Å; F53-Y94 HydrophobicContact CZ-CG 4.24Å; S88-Y94 PolarHBondContact OG-OH 3Å; T92-Y94 HydrophobicContact CG2-CD1 4.1Å; T92-Y94 HydrophobicContact CG2-CE1 3.76Å; T92-Y94 HydrophobicContact CG2-CE2 4.23Å; T92-Y94 HydrophobicContact CG2-CG 4.47Å
95E93.1Very high84.4Confident152 Ų15272.3 Ų72.371%0.7138%0.384SS*.EExtended strand (participates in β ladder)trans-69.1133.1170.6-172.9172-161.600110.2
96F93.5Very high82.9Confident7 Ų775.9 Ų75.93%0.03141%0.408CS..  trans-123.6113.1177-168.4-70.8000110.2V16 S17 L18 M26 M45 L50 F53 L98V16-F96 HydrophobicContact CB-CB 3.96Å; V16-F96 HydrophobicContact CB-CD2 4.5Å; V16-F96 HydrophobicContact CG1-CD2 4.36Å; V16-F96 HydrophobicContact CG2-CB 4.34Å; S17-F96 PolarHBondContact O-N 3.47Å; L18-F96 HydrophobicContact CD2-CB 3.97Å; L18-F96 HydrophobicContact CD2-CD1 3.93Å; L18-F96 HydrophobicContact CD2-CG 4.05Å; M26-F96 HydrophobicContact CE-CD2 4.38Å; M26-F96 HydrophobicContact CE-CE2 4.35Å; M45-F96 HydrophobicContact CB-CE1 4.25Å; M45-F96 HydrophobicContact CB-CZ 4.07Å; M45-F96 HydrophobicContact CE-CD1 4.33Å; M45-F96 HydrophobicContact CE-CD2 4.18Å; M45-F96 HydrophobicContact CE-CE1 4.34Å; M45-F96 HydrophobicContact CE-CE2 4.17Å; M45-F96 HydrophobicContact CE-CG 4.28Å; M45-F96 HydrophobicContact CE-CZ 4.26Å; M45-F96 HydrophobicContact CG-CD1 4.37Å; M45-F96 HydrophobicContact CG-CE1 3.62Å; M45-F96 HydrophobicContact CG-CE2 4.4Å; M45-F96 HydrophobicContact CG-CZ 3.64Å; M45-F96 HydrophobicContact SD-CE1 4.44Å; M45-F96 HydrophobicContact SD-CE2 4.24Å; M45-F96 HydrophobicContact SD-CZ 4.05Å; L50-F96 HydrophobicContact CD2-CE2 4.29Å; L50-F96 HydrophobicContact CD2-CZ 4.12Å; L50-F96 HydrophobicContact CG-CZ 4.45Å; F53-F96 HydrophobicContact CB-CD2 3.77Å; F53-F96 HydrophobicContact CB-CE2 3.47Å; F53-F96 VanDerWaalsContact CB-CE2 3.47Å; F53-F96 HydrophobicContact CB-CZ 4.22Å; F53-F96 HydrophobicContact CD1-CD2 4.08Å; F53-F96 AromaticContact CD1-CE2 3.98Å; F53-F96 HydrophobicContact CD1-CE2 3.98Å; F53-F96 HydrophobicContact CD2-CB 4.43Å; F53-F96 AromaticContact CD2-CD2 3.46Å; F53-F96 HydrophobicContact CD2-CD2 3.46Å; F53-F96 VanDerWaalsContact CD2-CD2 3.46Å; F53-F96 HydrophobicContact CD2-CE2 4.05Å; F53-F96 HydrophobicContact CD2-CG 4.28Å; F53-F96 HydrophobicContact CE2-CD2 4.02Å; F53-F96 AromaticContact CG-CD2 3.48Å; F53-F96 HydrophobicContact CG-CD2 3.48Å; F53-F96 VanDerWaalsContact CG-CD2 3.48Å; F53-F96 AromaticContact CG-CE2 3.56Å; F53-F96 HydrophobicContact CG-CE2 3.56Å; F96-L98 HydrophobicContact CD1-CD2 3.99Å; F96-L98 HydrophobicContact CE1-CD2 4.02Å; F96-L98 PolarHBondContact O-N 2.76Å
97N90.6Very high81.4Confident121 Ų12178.1 Ų78.165%0.64742%0.415SS*.  trans-81.2108.3178.5-65.7-48000109.9S49S49-N97 VanDerWaalsContact CB-O 3.31Å; S49-N97 WeakPolarHBondContact CB-O 3.33Å
98L86.1Confident80.1Confident49 Ų4979.9 Ų79.926%0.25742%0.421SS..PPolyproline II helixtrans-68.4144.2170-63.4176.7000109.6L18 L44 M45 F96L18-L98 HydrophobicContact CB-CD1 4.42Å; L18-L98 HydrophobicContact CD2-CD2 4.1Å; L44-L98 HydrophobicContact CB-CD1 4.07Å; L44-L98 HydrophobicContact CB-CD2 3.84Å; L44-L98 HydrophobicContact CD1-CD1 3.99Å; M45-L98 HydrophobicContact CG-CD2 4.28Å; F96-L98 HydrophobicContact CD1-CD2 3.99Å; F96-L98 HydrophobicContact CE1-CD2 4.02Å; F96-L98 PolarHBondContact O-N 2.76Å
99T82Confident78.9Confident45 Ų4583.9 Ų83.928%0.27645%0.445SS..PPolyproline II helixtrans-64.5138.8166.8-53.90000109D46 I101D46-T99 VanDerWaalsContact CG-OG1 3.25Å; D46-T99 PolarHBondContact OD1-OG1 2.91Å; D46-T99 WeakPolarHBondContact OD2-CB 3.08Å; D46-T99 PolarHBondContact OD2-OG1 3.36Å; T99-I101 PolarHBondContact O-N 3.46Å
100D74.5Confident77.6Confident158 Ų15886.4 Ų86.485%0.84545%0.451SS*.PPolyproline II helixtrans-53.3125.8178.1-70.9-35.4000111.1
101I69.3Low76.4Confident55 Ų5584 Ų8428%0.28244%0.44SS..PPolyproline II helixtrans-84.1122173.3-54.8175.2000106.6L44 T99 I103 Y132L44-I101 HydrophobicContact CD1-CD1 4.3Å; L44-I101 HydrophobicContact CD2-CD1 3.55Å; L44-I101 HydrophobicContact CG-CD1 4.49Å; T99-I101 PolarHBondContact O-N 3.46Å; I101-I103 HydrophobicContact CB-CD1 4.47Å; I101-I103 HydrophobicContact CB-CG1 3.98Å; I101-I103 HydrophobicContact CG2-CD1 4.23Å; I101-I103 HydrophobicContact CG2-CG1 3.46Å; I101-I103 VanDerWaalsContact CG2-CG1 3.46Å; I101-I103 PolarHBondContact O-N 3.5Å; I101-Y132 HydrophobicContact CG2-CD2 4.02Å; I101-Y132 HydrophobicContact CG2-CE1 4.18Å; I101-Y132 HydrophobicContact CG2-CE2 3.55Å
102N67.2Low75.4Confident150 Ų15084.4 Ų84.480%0.80245%0.447SS*.  trans-75.176.7169.9-1630.1000109.5
103I66Low74.4Confident62 Ų6289.9 Ų89.932%0.31847%0.47SS..  trans-76.8128.4170.9-55.7-179.2000106.8I101 E105 L108I101-I103 HydrophobicContact CB-CD1 4.47Å; I101-I103 HydrophobicContact CB-CG1 3.98Å; I101-I103 HydrophobicContact CG2-CD1 4.23Å; I101-I103 HydrophobicContact CG2-CG1 3.46Å; I101-I103 VanDerWaalsContact CG2-CG1 3.46Å; I101-I103 PolarHBondContact O-N 3.5Å; I103-E105 PolarHBondContact O-N 3.37Å; I103-L108 HydrophobicContact CB-CD2 4.23Å; I103-L108 HydrophobicContact CB-CG 4.39Å; I103-L108 HydrophobicContact CD1-CD2 4.35Å; I103-L108 HydrophobicContact CG2-CD2 4.22Å; I103-L108 HydrophobicContact CG2-CG 4.33Å
104P65.6Low73.1Confident60 Ų6095.6 Ų95.639%0.3948%0.483SS..  trans-54.8133.7176.7-21.430.2000111.1C106 Y107P104-C106 PolarHBondContact O-N 2.91Å; P104-C106 VanDerWaalsContact O-N 3.07Å; P104-Y107 HydrophobicContact CB-CD2 3.8Å; P104-Y107 HydrophobicContact CB-CE2 3.98Å; P104-Y107 HydrophobicContact CG-CD2 4.03Å; P104-Y107 HydrophobicContact CG-CE2 4.05Å; P104-Y107 PolarHBondContact O-N 3.21Å
105E69.3Low72Confident149 Ų14996.1 Ų96.170%0.69649%0.489SS*.Hα-helixtrans-53.1-35.3-173-173.7174.3-164.100113.1I103 Y107 L108 T109I103-E105 PolarHBondContact O-N 3.37Å; E105-Y107 PolarHBondContact O-N 3.17Å; E105-L108 PolarHBondContact O-N 2.87Å; E105-T109 HydrophobicContact CG-CG2 4Å; E105-T109 PolarHBondContact O-N 3.19Å; E105-T109 PolarHBondContact O-OG1 3.02Å
106C63.8Low71.2Confident75 Ų7597.2 Ų97.251%0.50750%0.498SS..Hα-helixtrans-58.1-17.2178.463.80000114.5P104 R110P104-C106 PolarHBondContact O-N 2.91Å; P104-C106 VanDerWaalsContact O-N 3.07Å; C106-R110 WeakPolarHBondContact O-CG 3.16Å
107Y63.4Low70.7Confident74 Ų74100.7 Ų100.729%0.2952%0.517SS..Hα-helixtrans-95.1-28.2173.6-60.1-71.2000113.2P104 E105 T109 I128P104-Y107 HydrophobicContact CB-CD2 3.8Å; P104-Y107 HydrophobicContact CB-CE2 3.98Å; P104-Y107 HydrophobicContact CG-CD2 4.03Å; P104-Y107 HydrophobicContact CG-CE2 4.05Å; P104-Y107 PolarHBondContact O-N 3.21Å; E105-Y107 PolarHBondContact O-N 3.17Å; Y107-T109 VanDerWaalsContact C-N 3.33Å; Y107-I128 HydrophobicContact CD1-CD1 3.56Å; Y107-I128 HydrophobicContact CD2-CD1 3.88Å; Y107-I128 HydrophobicContact CE1-CD1 3.03Å; Y107-I128 HydrophobicContact CE1-CG1 4.24Å; Y107-I128 HydrophobicContact CE2-CD1 3.39Å; Y107-I128 HydrophobicContact CE2-CG1 3.88Å; Y107-I128 HydrophobicContact CE2-CG2 4.49Å; Y107-I128 HydrophobicContact CG-CD1 3.97Å; Y107-I128 WeakPolarHBondContact OH-CD1 3.36Å
108L67.4Low70.3Confident122 Ų122102.7 Ų102.764%0.63952%0.516SS*.Hα-helixtrans-72.9-30.3175.1-61.6177.2000111.4I103 E105I103-L108 HydrophobicContact CB-CD2 4.23Å; I103-L108 HydrophobicContact CB-CG 4.39Å; I103-L108 HydrophobicContact CD1-CD2 4.35Å; I103-L108 HydrophobicContact CG2-CD2 4.22Å; I103-L108 HydrophobicContact CG2-CG 4.33Å; E105-L108 PolarHBondContact O-N 2.87Å
109T65.7Low70.3Confident84 Ų84107.8 Ų107.852%0.51554%0.539SS..THydrogen-bonded Turntrans-9612.4-178.364.70000113.9E105 Y107 N111E105-T109 HydrophobicContact CG-CG2 4Å; E105-T109 PolarHBondContact O-N 3.19Å; E105-T109 PolarHBondContact O-OG1 3.02Å; Y107-T109 VanDerWaalsContact C-N 3.33Å; T109-N111 PolarHBondContact O-N 2.84Å
110R60.9Low70.4Confident85 Ų85111.9 Ų111.932%0.32155%0.553SS.*  trans-67.5107.9175.8-80.4-172.2173.7-170.4-4.5109.4C106 P112 S121 D124C106-R110 WeakPolarHBondContact O-CG 3.16Å; R110-P112 WeakPolarHBondContact O-CD 3.46Å; R110-S121 PolarHBondContact NH1-O 2.84Å; R110-S121 PolarHBondContact NH1-OG 3.35Å; R110-D124 IonicContact NH2-OD2 3.7Å; R110-D124 PolarHBondContact NH2-OD2 3.37Å
111N64.7Low70.6Confident53 Ų53105.2 Ų105.228%0.28352%0.518SS..  trans-69.6124.6166.5-175.5-13.6000108.5T109 E113 W114T109-N111 PolarHBondContact O-N 2.84Å; N111-E113 PolarHBondContact ND2-OE2 3.49Å; N111-E113 PolarHBondContact O-N 3.32Å; N111-E113 VanDerWaalsContact O-N 3.13Å; N111-E113 WeakPolarHBondContact OD1-CB 3.46Å; N111-E113 WeakPolarHBondContact OD1-CG 3.39Å; N111-E113 PolarHBondContact OD1-N 2.8Å; N111-W114 HydrophobicContact CB-CD2 3.76Å; N111-W114 HydrophobicContact CB-CE3 4.11Å; N111-W114 HydrophobicContact CB-CG 3.96Å; N111-W114 HydrophobicContact CB-CZ2 4.48Å; N111-W114 WeakPolarHBondContact O-CB 3.36Å; N111-W114 PolarHBondContact O-N 3.01Å
112P66.8Low71.2Confident98 Ų98107.4 Ų107.464%0.63653%0.526SS*.G310 helixtrans-52-33.2176.1-26.433.7000113.6R110 W114 I115R110-P112 WeakPolarHBondContact O-CD 3.46Å; P112-W114 PolarHBondContact O-N 3.14Å; P112-I115 WeakPolarHBondContact O-CB 3.23Å; P112-I115 PolarHBondContact O-N 3.09Å; P112-I115 VanDerWaalsContact O-N 3.16Å
113E67.5Low72.1Confident167 Ų167103.7 Ų103.778%0.7851%0.512SS*.G310 helixtrans-65.5-18.9178.9-61178.3163.700113.2N111N111-E113 PolarHBondContact ND2-OE2 3.49Å; N111-E113 PolarHBondContact O-N 3.32Å; N111-E113 VanDerWaalsContact O-N 3.13Å; N111-E113 WeakPolarHBondContact OD1-CB 3.46Å; N111-E113 WeakPolarHBondContact OD1-CG 3.39Å; N111-E113 PolarHBondContact OD1-N 2.8Å
114W64.7Low72.9Confident191 Ų191103.6 Ų103.672%0.72351%0.512SS*.G310 helixtrans-92.6-1.5179.1-59.4-7.8000112.9N111 P112 I116N111-W114 HydrophobicContact CB-CD2 3.76Å; N111-W114 HydrophobicContact CB-CE3 4.11Å; N111-W114 HydrophobicContact CB-CG 3.96Å; N111-W114 HydrophobicContact CB-CZ2 4.48Å; N111-W114 WeakPolarHBondContact O-CB 3.36Å; N111-W114 PolarHBondContact O-N 3.01Å; P112-W114 PolarHBondContact O-N 3.14Å; W114-I116 PolarHBondContact O-N 2.83Å
115I70.5Confident73.7Confident62 Ų62102.8 Ų102.832%0.31851%0.508SS..  trans-8088.3178.4-57.1176.4000108.5P112 D117P112-I115 WeakPolarHBondContact O-CB 3.23Å; P112-I115 PolarHBondContact O-N 3.09Å; P112-I115 VanDerWaalsContact O-N 3.16Å; I115-D117 VanDerWaalsContact C-N 3.29Å
116I76.5Confident74.4Confident175 Ų17599.8 Ų99.890%0.89749%0.494SS*.SBendtrans-68.5-32176.3-57.8171.4000110.9W114W114-I116 PolarHBondContact O-N 2.83Å
117D82.5Confident75.4Confident80 Ų8098.7 Ų98.743%0.42849%0.49SS..  trans-132.9104.1177.7-177.6-15.4000110.3I115 Q119 K120 S121I115-D117 VanDerWaalsContact C-N 3.29Å; D117-Q119 PolarHBondContact OD1-N 3.34Å; D117-K120 HydrophobicContact CB-CB 4.05Å; D117-K120 PolarHBondContact OD1-N 2.77Å; D117-K120 WeakPolarHBondContact OD2-CB 3.45Å; D117-S121 WeakPolarHBondContact O-CB 3.28Å; D117-S121 PolarHBondContact O-N 2.68Å
118Y81.8Confident76.3Confident162 Ų16296.9 Ų96.964%0.63549%0.485SS*.Hα-helixtrans-64.2-37.4179.4174.2-99.7000113S121 K122Y118-S121 PolarHBondContact O-N 3.33Å; Y118-K122 WeakPolarHBondContact O-CB 3.27Å; Y118-K122 PolarHBondContact O-N 3.21Å
119Q85.6Confident76.9Confident156 Ų15695.6 Ų95.673%0.72948%0.478SS*.Hα-helixtrans-69.1-44.3-177.3-68.3-174.7-18.800110.8D117 K122 S123D117-Q119 PolarHBondContact OD1-N 3.34Å; Q119-K122 PolarHBondContact O-N 3.32Å; Q119-S123 PolarHBondContact O-N 2.75Å
120K84.7Confident77.8Confident131 Ų13198.1 Ų98.157%0.5748%0.484SS*.Hα-helixtrans-61.5-46.5173.2-174.8177.4179.9-1790111.4D117 K122 S123 D124D117-K120 HydrophobicContact CB-CB 4.05Å; D117-K120 PolarHBondContact OD1-N 2.77Å; D117-K120 WeakPolarHBondContact OD2-CB 3.45Å; K120-K122 VanDerWaalsContact C-N 3.32Å; K120-K122 PolarHBondContact O-N 2.96Å; K120-S123 PolarHBondContact O-N 2.9Å; K120-D124 PolarHBondContact O-N 2.9Å
121S79Confident78.9Confident18 Ų1897.9 Ų97.913%0.12649%0.489CS..Hα-helixtrans-58.9-42.5178.4-178.60000112.7R110 D117 Y118 S125R110-S121 PolarHBondContact NH1-O 2.84Å; R110-S121 PolarHBondContact NH1-OG 3.35Å; D117-S121 WeakPolarHBondContact O-CB 3.28Å; D117-S121 PolarHBondContact O-N 2.68Å; Y118-S121 PolarHBondContact O-N 3.33Å; S121-S125 WeakPolarHBondContact O-CB 3.11Å; S121-S125 PolarHBondContact O-N 3.48Å; S121-S125 VanDerWaalsContact O-N 3.08Å; S121-S125 PolarHBondContact O-OG 2.9Å
122K82.7Confident79.6Confident102 Ų10297.7 Ų97.744%0.44349%0.485SS..Hα-helixtrans-61.1-50.4173.6178.8-179170.4-176.70111.5Y118 Q119 K120 D124 S125 E126Y118-K122 WeakPolarHBondContact O-CB 3.27Å; Y118-K122 PolarHBondContact O-N 3.21Å; Q119-K122 PolarHBondContact O-N 3.32Å; K120-K122 VanDerWaalsContact C-N 3.32Å; K120-K122 PolarHBondContact O-N 2.96Å; K122-D124 PolarHBondContact O-N 2.77Å; K122-S125 WeakPolarHBondContact O-CB 3.25Å; K122-S125 PolarHBondContact O-N 3.27Å; K122-S125 VanDerWaalsContact O-N 3.14Å; K122-E126 WeakPolarHBondContact CE-OE1 3.19Å; K122-E126 IonicContact NZ-OE1 3.41Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.4Å
123S85.4Confident80.1Confident72 Ų7296.2 Ų96.250%0.50347%0.469SS..Hα-helixtrans-60.8-42.6-179.7-175.80000112.4Q119 K120 S125 E126 A127Q119-S123 PolarHBondContact O-N 2.75Å; K120-S123 PolarHBondContact O-N 2.9Å; S123-S125 VanDerWaalsContact C-N 3.32Å; S123-S125 PolarHBondContact O-N 3.44Å; S123-E126 PolarHBondContact O-N 3.48Å; S123-A127 WeakPolarHBondContact O-CB 3.35Å; S123-A127 PolarHBondContact O-N 3.21Å
124D83.6Confident80.8Confident59 Ų5994.4 Ų94.432%0.31646%0.458SS..Hα-helixtrans-58.3-46.6174.1-69.9-15000110.7R110 K120 K122 A127 I128R110-D124 IonicContact NH2-OD2 3.7Å; R110-D124 PolarHBondContact NH2-OD2 3.37Å; K120-D124 PolarHBondContact O-N 2.9Å; K122-D124 PolarHBondContact O-N 2.77Å; D124-A127 PolarHBondContact O-N 2.78Å; D124-I128 WeakPolarHBondContact O-CD1 3.46Å; D124-I128 VanDerWaalsContact O-CG1 3.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.24Å; D124-I128 PolarHBondContact O-N 2.8Å; D124-I128 VanDerWaalsContact O-N 3.13Å
125S80.6Confident81.3Confident44 Ų4490.2 Ų90.231%0.30845%0.445SS..Hα-helixtrans-61.2-44.9-178.9-56.30000111.7S121 K122 S123 I128 L129S121-S125 WeakPolarHBondContact O-CB 3.11Å; S121-S125 PolarHBondContact O-N 3.48Å; S121-S125 VanDerWaalsContact O-N 3.08Å; S121-S125 PolarHBondContact O-OG 2.9Å; K122-S125 WeakPolarHBondContact O-CB 3.25Å; K122-S125 PolarHBondContact O-N 3.27Å; K122-S125 VanDerWaalsContact O-N 3.14Å; S123-S125 VanDerWaalsContact C-N 3.32Å; S123-S125 PolarHBondContact O-N 3.44Å; S125-I128 PolarHBondContact O-N 3.45Å; S125-L129 WeakPolarHBondContact O-CG 3.34Å; S125-L129 PolarHBondContact O-N 2.94Å; S125-L129 VanDerWaalsContact O-N 3.14Å
126E85.1Confident81.4Confident86 Ų8689.6 Ų89.640%0.40244%0.439SS..Hα-helixtrans-62.1-43.4175-72.4174.5171.100111.7K122 S123 I128 L129 Q130K122-E126 WeakPolarHBondContact CE-OE1 3.19Å; K122-E126 IonicContact NZ-OE1 3.41Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.4Å; S123-E126 PolarHBondContact O-N 3.48Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 3.2Å; E126-L129 PolarHBondContact O-N 3.48Å; E126-Q130 WeakPolarHBondContact O-CB 3.44Å; E126-Q130 VanDerWaalsContact O-CG 3.27Å; E126-Q130 WeakPolarHBondContact O-CG 3.12Å; E126-Q130 PolarHBondContact O-N 2.87Å
127A84.7Confident81.1Confident51 Ų5185 Ų8542%0.42142%0.415SS..Hα-helixtrans-62.3-36.7179.300000112.7S123 D124 N131S123-A127 WeakPolarHBondContact O-CB 3.35Å; S123-A127 PolarHBondContact O-N 3.21Å; D124-A127 PolarHBondContact O-N 2.78Å; A127-N131 WeakPolarHBondContact O-CB 3.41Å; A127-N131 PolarHBondContact O-N 2.84Å
128I81Confident80.6Confident37 Ų3786.6 Ų86.619%0.1942%0.419CS..Hα-helixtrans-70.3-44.1176.6-59.7137.3000110.9Y107 D124 S125 E126 Q130 N131 Y132Y107-I128 HydrophobicContact CD1-CD1 3.56Å; Y107-I128 HydrophobicContact CD2-CD1 3.88Å; Y107-I128 HydrophobicContact CE1-CD1 3.03Å; Y107-I128 HydrophobicContact CE1-CG1 4.24Å; Y107-I128 HydrophobicContact CE2-CD1 3.39Å; Y107-I128 HydrophobicContact CE2-CG1 3.88Å; Y107-I128 HydrophobicContact CE2-CG2 4.49Å; Y107-I128 HydrophobicContact CG-CD1 3.97Å; Y107-I128 WeakPolarHBondContact OH-CD1 3.36Å; D124-I128 WeakPolarHBondContact O-CD1 3.46Å; D124-I128 VanDerWaalsContact O-CG1 3.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.24Å; D124-I128 PolarHBondContact O-N 2.8Å; D124-I128 VanDerWaalsContact O-N 3.13Å; S125-I128 PolarHBondContact O-N 3.45Å; E126-I128 VanDerWaalsContact C-N 3.31Å; E126-I128 PolarHBondContact O-N 3.2Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.22Å; I128-N131 PolarHBondContact O-N 3.21Å; I128-Y132 WeakPolarHBondContact O-CB 3.41Å; I128-Y132 PolarHBondContact O-N 3.21Å
129L81.7Confident79.7Confident95 Ų9587.4 Ų87.450%0.49742%0.422SS..Hα-helixtrans-60.8-44.1176.7-72.1174.8000110.5S125 E126 N131 Y132 F133S125-L129 WeakPolarHBondContact O-CG 3.34Å; S125-L129 PolarHBondContact O-N 2.94Å; S125-L129 VanDerWaalsContact O-N 3.14Å; E126-L129 PolarHBondContact O-N 3.48Å; L129-N131 PolarHBondContact O-N 3.45Å; L129-Y132 WeakPolarHBondContact O-CB 3.29Å; L129-Y132 PolarHBondContact O-N 3.48Å; L129-F133 HydrophobicContact CB-CE2 4.5Å; L129-F133 WeakPolarHBondContact O-CD2 3.43Å; L129-F133 PolarHBondContact O-N 3.38Å
130Q84.3Confident78.6Confident136 Ų13681.3 Ų81.364%0.63640%0.397SS*.Hα-helixtrans-58.4-47173.6-73.9174.63.300111.7E126 I128 Y132 F133 K134E126-Q130 WeakPolarHBondContact O-CB 3.44Å; E126-Q130 VanDerWaalsContact O-CG 3.27Å; E126-Q130 WeakPolarHBondContact O-CG 3.12Å; E126-Q130 PolarHBondContact O-N 2.87Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.22Å; Q130-Y132 VanDerWaalsContact C-N 3.34Å; Q130-Y132 PolarHBondContact O-N 2.97Å; Q130-F133 PolarHBondContact O-N 3.41Å; Q130-K134 VanDerWaalsContact O-CB 3.25Å; Q130-K134 WeakPolarHBondContact O-CB 3.07Å; Q130-K134 PolarHBondContact O-N 3.25Å
131N82.8Confident77.1Confident80 Ų8080.9 Ų80.943%0.42840%0.401SS..Hα-helixtrans-64.1-39.2177.8-169.516.8000112A127 I128 L129 K134 K135A127-N131 WeakPolarHBondContact O-CB 3.41Å; A127-N131 PolarHBondContact O-N 2.84Å; I128-N131 PolarHBondContact O-N 3.21Å; L129-N131 PolarHBondContact O-N 3.45Å; N131-K134 PolarHBondContact O-N 2.86Å; N131-K135 WeakPolarHBondContact O-CB 3.48Å; N131-K135 WeakPolarHBondContact O-CG 3.32Å; N131-K135 PolarHBondContact O-N 3.14Å
132Y79.6Confident76.2Confident50 Ų5088.9 Ų88.920%0.19643%0.433CS..Hα-helixtrans-60.3-51.8174.9170.8-99.6000111.2L44 I101 I128 L129 Q130 K134 K135 R136L44-Y132 HydrophobicContact CD2-CE1 4.14Å; I101-Y132 HydrophobicContact CG2-CD2 4.02Å; I101-Y132 HydrophobicContact CG2-CE1 4.18Å; I101-Y132 HydrophobicContact CG2-CE2 3.55Å; I128-Y132 WeakPolarHBondContact O-CB 3.41Å; I128-Y132 PolarHBondContact O-N 3.21Å; L129-Y132 WeakPolarHBondContact O-CB 3.29Å; L129-Y132 PolarHBondContact O-N 3.48Å; Q130-Y132 VanDerWaalsContact C-N 3.34Å; Q130-Y132 PolarHBondContact O-N 2.97Å; Y132-K134 VanDerWaalsContact C-N 3.35Å; Y132-K134 PolarHBondContact O-N 3.13Å; Y132-K135 PolarHBondContact O-N 3.07Å; Y132-R136 WeakPolarHBondContact O-CB 3.49Å; Y132-R136 PolarHBondContact O-N 3.27Å; Y132-R136 PolarHBondContact OH-NH1 3.14Å
133F78.8Confident75.3Confident67 Ų6787.1 Ų87.129%0.29443%0.433SS..Hα-helixtrans-64.9-39.6178.2-73.5-61.1000111.9P43 L44 L129 Q130 K135 R136 M137P43-F133 HydrophobicContact CB-CD1 4.06Å; P43-F133 HydrophobicContact CB-CE1 3.53Å; P43-F133 HydrophobicContact CB-CZ 4.2Å; L44-F133 HydrophobicContact CD2-CE1 3.78Å; L44-F133 HydrophobicContact CD2-CZ 3.68Å; L44-F133 HydrophobicContact CG-CZ 4.39Å; L129-F133 HydrophobicContact CB-CE2 4.5Å; L129-F133 WeakPolarHBondContact O-CD2 3.43Å; L129-F133 PolarHBondContact O-N 3.38Å; Q130-F133 PolarHBondContact O-N 3.41Å; F133-K135 PolarHBondContact O-N 3.31Å; F133-R136 PolarHBondContact O-N 2.82Å; F133-M137 VanDerWaalsContact O-CG 3.23Å; F133-M137 WeakPolarHBondContact O-CG 3.35Å; F133-M137 PolarHBondContact O-N 2.93Å
134K80.7Confident74.5Confident128 Ų12886.7 Ų86.756%0.55742%0.424SS*.Hα-helixtrans-57.2-51.8174.3-176.4-179.1176.8-176.20111.3Q130 N131 Y132 R136 M137 E138Q130-K134 VanDerWaalsContact O-CB 3.25Å; Q130-K134 WeakPolarHBondContact O-CB 3.07Å; Q130-K134 PolarHBondContact O-N 3.25Å; N131-K134 PolarHBondContact O-N 2.86Å; Y132-K134 VanDerWaalsContact C-N 3.35Å; Y132-K134 PolarHBondContact O-N 3.13Å; K134-R136 VanDerWaalsContact C-N 3.3Å; K134-R136 PolarHBondContact O-N 2.98Å; K134-M137 WeakPolarHBondContact O-CB 3.34Å; K134-M137 PolarHBondContact O-N 3.28Å; K134-E138 WeakPolarHBondContact CE-OE1 2.99Å; K134-E138 WeakPolarHBondContact O-CG 3.22Å; K134-E138 PolarHBondContact O-N 3.39Å
135K76.2Confident73.9Confident104 Ų10492.3 Ų92.345%0.45245%0.454SS..Hα-helixtrans-59-41.8175.8-74.8179.4-179.9-177.60111.7N131 Y132 F133 M137 E138 Y139N131-K135 WeakPolarHBondContact O-CB 3.48Å; N131-K135 WeakPolarHBondContact O-CG 3.32Å; N131-K135 PolarHBondContact O-N 3.14Å; Y132-K135 PolarHBondContact O-N 3.07Å; F133-K135 PolarHBondContact O-N 3.31Å; K135-M137 VanDerWaalsContact C-N 3.33Å; K135-M137 PolarHBondContact O-N 2.96Å; K135-E138 CarbonylContact O-C 3.59Å; K135-E138 WeakPolarHBondContact O-CA 3.44Å; K135-E138 WeakPolarHBondContact O-CB 3.27Å; K135-E138 PolarHBondContact O-N 2.72Å; K135-E138 VanDerWaalsContact O-N 3.1Å; K135-Y139 HydrophobicContact CB-CD2 4.28Å; K135-Y139 HydrophobicContact CB-CE2 4.26Å; K135-Y139 WeakPolarHBondContact O-CB 3.42Å; K135-Y139 WeakPolarHBondContact O-CD2 3.43Å; K135-Y139 PolarHBondContact O-N 2.98Å
136R71.4Confident73.4Confident48 Ų4896 Ų9618%0.18147%0.471CS..Hα-helixtrans-63.4-38.7178.9-169.5172.3176.8107.5-5.3112.2P43 L44 D46 Y132 F133 K134 Y139P43-R136 PolarHBondContact O-NE 3.08Å; P43-R136 VanDerWaalsContact O-NE 3.17Å; L44-R136 VanDerWaalsContact C-NH2 3.28Å; L44-R136 PolarHBondContact O-NH2 2.9Å; D46-R136 IonicContact OD2-CZ 3.79Å; D46-R136 IonicContact OD2-NH1 2.89Å; D46-R136 PolarHBondContact OD2-NH1 3.44Å; D46-R136 IonicContact OD2-NH2 3.82Å; D46-R136 PolarHBondContact OD2-NH2 3.44Å; D46-R136 VanDerWaalsContact OD2-NH2 3.13Å; Y132-R136 WeakPolarHBondContact O-CB 3.49Å; Y132-R136 PolarHBondContact O-N 3.27Å; Y132-R136 PolarHBondContact OH-NH1 3.14Å; F133-R136 PolarHBondContact O-N 2.82Å; K134-R136 VanDerWaalsContact C-N 3.3Å; K134-R136 PolarHBondContact O-N 2.98Å; R136-Y139 PolarHBondContact O-N 3.23Å
137M70.7Confident72.8Confident80 Ų8093.3 Ų93.339%0.39447%0.466SS..Hα-helixtrans-64.8-40170.8-64.8-65.5-71.900111.1P67 P68 F133 K134 K135 S140P67-M137 HydrophobicContact CB-CE 4.37Å; P67-M137 HydrophobicContact CB-SD 3.66Å; P68-M137 HydrophobicContact CB-CE 3.93Å; P68-M137 HydrophobicContact CG-CE 3.6Å; F133-M137 VanDerWaalsContact O-CG 3.23Å; F133-M137 WeakPolarHBondContact O-CG 3.35Å; F133-M137 PolarHBondContact O-N 2.93Å; K134-M137 WeakPolarHBondContact O-CB 3.34Å; K134-M137 PolarHBondContact O-N 3.28Å; K135-M137 VanDerWaalsContact C-N 3.33Å; K135-M137 PolarHBondContact O-N 2.96Å; M137-S140 WeakPolarHBondContact O-CB 2.88Å; M137-S140 PolarHBondContact O-N 2.97Å; M137-S140 PolarHBondContact O-OG 3.03Å
138E72.6Confident72.5Confident113 Ų11391.8 Ų91.853%0.52845%0.45SS..Hα-helixtrans-68.3-36.4176-68.5166.7179.100112.9K134 K135 S140K134-E138 WeakPolarHBondContact CE-OE1 2.99Å; K134-E138 WeakPolarHBondContact O-CG 3.22Å; K134-E138 PolarHBondContact O-N 3.39Å; K135-E138 CarbonylContact O-C 3.59Å; K135-E138 WeakPolarHBondContact O-CA 3.44Å; K135-E138 WeakPolarHBondContact O-CB 3.27Å; K135-E138 PolarHBondContact O-N 2.72Å; K135-E138 VanDerWaalsContact O-N 3.1Å; E138-S140 PolarHBondContact O-N 3.2Å; E138-S140 VanDerWaalsContact O-N 3.15Å
139Y63Low72.3Confident179 Ų17991.5 Ų91.570%0.70245%0.448SS*.THydrogen-bonded Turntrans-68.1-6.5176.6-84.9-69.3000113.7K135 R136 N141K135-Y139 HydrophobicContact CB-CD2 4.28Å; K135-Y139 HydrophobicContact CB-CE2 4.26Å; K135-Y139 WeakPolarHBondContact O-CB 3.42Å; K135-Y139 WeakPolarHBondContact O-CD2 3.43Å; K135-Y139 PolarHBondContact O-N 2.98Å; R136-Y139 PolarHBondContact O-N 3.23Å; Y139-N141 PolarHBondContact O-N 2.92Å
140S61.4Low72.2Confident27 Ų2788.9 Ų88.919%0.18944%0.436CS..  trans-67.265.9162.6680000110.4M137 E138 K142 P143M137-S140 WeakPolarHBondContact O-CB 2.88Å; M137-S140 PolarHBondContact O-N 2.97Å; M137-S140 PolarHBondContact O-OG 3.03Å; E138-S140 PolarHBondContact O-N 3.2Å; E138-S140 VanDerWaalsContact O-N 3.15Å; S140-K142 PolarHBondContact O-N 3.41Å; S140-P143 WeakPolarHBondContact O-CD 3.42Å
141N53.5Low71.9Confident122 Ų12282.7 Ų82.765%0.65241%0.408SS*.  trans-70.2103.3-175.2-79.4-42.7000109.1Y139Y139-N141 PolarHBondContact O-N 2.92Å
142K61.1Low71.6Confident186 Ų18687.1 Ų87.181%0.80942%0.419SS*.  trans81.370.3174.3-48.6174.8-175.8-179.20114.3S140S140-K142 PolarHBondContact O-N 3.41Å
143P63.3Low71.1Confident66 Ų6691.9 Ų91.943%0.42944%0.44SS..  trans-56.3148.8154.328.6-33.8000109.7S140 W148S140-P143 WeakPolarHBondContact O-CD 3.42Å; P143-W148 CarbonylContact C-O 3.53Å; P143-W148 VanDerWaalsContact CA-O 3.3Å; P143-W148 WeakPolarHBondContact CA-O 3.45Å
144D68.9Low70.4Confident62 Ų6292.4 Ų92.433%0.33247%0.465SS..  trans-68.1178163.857.724.7000111.2D146 G147 W148D144-D146 PolarHBondContact O-N 2.9Å; D144-D146 PolarHBondContact OD1-N 3.38Å; D144-G147 PolarHBondContact O-N 3.32Å; D144-G147 PolarHBondContact OD1-N 3.42Å; D144-W148 PolarHBondContact N-O 3.41Å; D144-W148 WeakPolarHBondContact OD1-CA 3.5Å; D144-W148 WeakPolarHBondContact OD1-CB 3.36Å; D144-W148 PolarHBondContact OD1-N 2.89Å
145D70.5Confident69.5Low177 Ų17791.4 Ų91.495%0.94746%0.463SS*.THydrogen-bonded Turntrans-57.4-21.5-179.7-65.9-26000112.7
146D70.5Confident68.4Low122 Ų12298.4 Ų98.465%0.65249%0.487SS*.THydrogen-bonded Turntrans-92.63.1178.6-66.9-37.2000113.2D144D144-D146 PolarHBondContact O-N 2.9Å; D144-D146 PolarHBondContact OD1-N 3.38Å
147G72Confident67.5Low30 Ų30103.1 Ų103.131%0.30952%0.515SS..SBendtrans85.88.7178.100000115D144D144-G147 PolarHBondContact O-N 3.32Å; D144-G147 PolarHBondContact OD1-N 3.42Å
148W78.3Confident67.4Low18 Ų18104.3 Ų104.37%0.06852%0.521CS..PPolyproline II helixtrans-97.7136.1-175.7-66.691.1000113.1L37 R64 R71 V73 P143 D144L37-W148 HydrophobicContact CD1-CH2 4.15Å; R64-W148 HydrophobicContact CB-CB 4.31Å; R64-W148 HydrophobicContact CB-CD2 4.14Å; R64-W148 HydrophobicContact CB-CE3 3.64Å; R64-W148 HydrophobicContact CB-CG 4.45Å; R64-W148 HydrophobicContact CB-CZ3 4.26Å; R64-W148 WeakPolarHBondContact O-CZ3 3.33Å; R71-W148 HydrophobicContact CB-CH2 4.26Å; R71-W148 HydrophobicContact CG-CH2 3.49Å; R71-W148 VanDerWaalsContact CG-CH2 3.49Å; R71-W148 HydrophobicContact CG-CZ2 4.12Å; R71-W148 HydrophobicContact CG-CZ3 4.07Å; V73-W148 HydrophobicContact CG2-CH2 3.71Å; V73-W148 HydrophobicContact CG2-CZ2 4.23Å; V73-W148 HydrophobicContact CG2-CZ3 4.15Å; P143-W148 CarbonylContact C-O 3.53Å; P143-W148 VanDerWaalsContact CA-O 3.3Å; P143-W148 WeakPolarHBondContact CA-O 3.45Å; D144-W148 PolarHBondContact N-O 3.41Å; D144-W148 WeakPolarHBondContact OD1-CA 3.5Å; D144-W148 WeakPolarHBondContact OD1-CB 3.36Å; D144-W148 PolarHBondContact OD1-N 2.89Å
149I76.8Confident67.1Low31 Ų31103.8 Ų103.816%0.15952%0.521CS..EExtended strand (participates in β ladder)trans-88.3116.9166.6-50.6164.5000108.1R64 Y65 P67 V151R64-I149 CarbonylContact C-O 3.59Å; R64-I149 VanDerWaalsContact CA-O 3.25Å; R64-I149 WeakPolarHBondContact CA-O 3.48Å; Y65-I149 HydrophobicContact CD1-CD1 4.17Å; Y65-I149 PolarHBondContact N-O 3.04Å; Y65-I149 WeakPolarHBondContact O-CB 3.47Å; Y65-I149 WeakPolarHBondContact O-CG1 3.44Å; Y65-I149 PolarHBondContact O-N 3.04Å; P67-I149 HydrophobicContact CG-CD1 3.92Å; I149-V151 HydrophobicContact CG2-CG2 4.5Å
150T79.7Confident67.3Low41 Ų4199.7 Ų99.725%0.25251%0.511SS..EExtended strand (participates in β ladder)trans-95.4120.7176.2-600000111.5L63 R64 R152L63-T150 CarbonylContact O-C 3.52Å; L63-T150 WeakPolarHBondContact O-CA 3.48Å; R64-T150 HydrophobicContact CG-CG2 4.27Å; T150-R152 HydrophobicContact CG2-CG 3.94Å
151V77.9Confident67.7Low6 Ų6103.9 Ų103.94%0.03653%0.53CS..EExtended strand (participates in β ladder)trans-108.6112.3172.2-176.10000108.5A47 L63 I149 L157A47-V151 HydrophobicContact CB-CG2 4.07Å; L63-V151 HydrophobicContact CB-CB 4.29Å; L63-V151 PolarHBondContact N-O 3.06Å; L63-V151 PolarHBondContact O-N 2.93Å; I149-V151 HydrophobicContact CG2-CG2 4.5Å; V151-L157 HydrophobicContact CG1-CD1 3.83Å; V151-L157 HydrophobicContact CG1-CD2 4.45Å; V151-L157 HydrophobicContact CG1-CG 4.07Å; V151-L157 HydrophobicContact CG2-CD1 4.1Å; V151-L157 HydrophobicContact CG2-CD2 4.03Å; V151-L157 HydrophobicContact CG2-CG 4.43Å
152R77Confident68.6Low173 Ų173102.8 Ų102.865%0.65352%0.522SS*.EExtended strand (participates in β ladder)trans-98.4155.5176.6-61.2-173.5-180178.90.6111.1T150 G154 M155T150-R152 HydrophobicContact CG2-CG 3.94Å; R152-G154 PolarHBondContact O-N 3.01Å; R152-M155 HydrophobicContact CB-CG 4.4Å; R152-M155 HydrophobicContact CB-SD 3.93Å; R152-M155 HydrophobicContact CG-SD 4.32Å; R152-M155 PolarHBondContact N-SD 3.22Å; R152-M155 WeakPolarHBondContact O-CB 3.45Å; R152-M155 PolarHBondContact O-N 3.16Å
153K69.5Low69.1Low149 Ų14997.3 Ų97.365%0.64850%0.503SS*.THydrogen-bonded Turntrans-48.7128.6170.9-173.8174.7179.1176.30110.8E59 T61E59-K153 IonicContact OE1-NZ 2.66Å; E59-K153 PolarHBondContact OE1-NZ 2.95Å; T61-K153 PolarHBondContact O-N 3.13Å
154G64.5Low69.5Low79 Ų7999.5 Ų99.581%0.81451%0.508SS*.THydrogen-bonded Turntrans90.1-9.9-179.500000115.4R152 R156R152-G154 PolarHBondContact O-N 3.01Å; G154-R156 PolarHBondContact O-N 3.03Å
155M61.2Low69.5Low107 Ų107102.4 Ų102.453%0.52752%0.522SS..  trans-71.4122.5168.4-69.9176.167.700109.2R152 L157R152-M155 HydrophobicContact CB-CG 4.4Å; R152-M155 HydrophobicContact CB-SD 3.93Å; R152-M155 HydrophobicContact CG-SD 4.32Å; R152-M155 PolarHBondContact N-SD 3.22Å; R152-M155 WeakPolarHBondContact O-CB 3.45Å; R152-M155 PolarHBondContact O-N 3.16Å; M155-L157 PolarHBondContact O-N 3.46Å
156R53.3Low69.5Low250 Ų25096.2 Ų96.294%0.94349%0.486SS*.  trans-73.2119.4168.4-76.1-177.2172.1177.5-2.9108G154G154-R156 PolarHBondContact O-N 3.03Å
157L52.8Low69.4Low148 Ų14893.8 Ų93.878%0.77547%0.471SS*.  trans-89.90163.2-72.2173.4000109.2A47 K48 V151 M155A47-L157 HydrophobicContact CB-CD1 3.88Å; K48-L157 HydrophobicContact CB-CD1 4.44Å; V151-L157 HydrophobicContact CG1-CD1 3.83Å; V151-L157 HydrophobicContact CG1-CD2 4.45Å; V151-L157 HydrophobicContact CG1-CG 4.07Å; V151-L157 HydrophobicContact CG2-CD1 4.1Å; V151-L157 HydrophobicContact CG2-CD2 4.03Å; V151-L157 HydrophobicContact CG2-CG 4.43Å; M155-L157 PolarHBondContact O-N 3.46Å

Retrieved 157 of 157 residues in 224.6 ms (Link to these results)

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