A0A5K4F6M6_SCHMA Loading...

BolA-like protein

AlphaFold DB , UniProt , Accession A0A5K4F6M6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 76 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
1M70Confident83.3Confident153 Ų15394.5 Ų94.575%0.75446%0.463SS*.  0-590-67.6-176.6-178.100111.7D3 Q4 I5M1-D3 PolarHBondContact O-N 2.88Å; M1-D3 VanDerWaalsContact O-N 3.15Å; M1-Q4 PolarHBondContact O-N 3.41Å; M1-Q4 VanDerWaalsContact O-N 3.11Å; M1-I5 PolarHBondContact O-N 3.26Å
2K77.2Confident83.2Confident152 Ų15290 Ų9066%0.66144%0.441SS*.Hα-helixtrans-48.8-40.8176.472-177.8-176.3-173.60114.9I5 E6 I19K2-I5 WeakPolarHBondContact O-CB 3.27Å; K2-I5 PolarHBondContact O-N 2.92Å; K2-E6 PolarHBondContact O-N 3.15Å; K2-I19 HydrophobicContact CB-CG2 4.3Å
3D83.5Confident83.4Confident100 Ų10093.8 Ų93.854%0.53547%0.465SS..Hα-helixtrans-62-45-179.6177-101.8000112.3M1 I5 E6 Q7M1-D3 PolarHBondContact O-N 2.88Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-I5 VanDerWaalsContact C-N 3.29Å; D3-I5 PolarHBondContact O-N 3.31Å; D3-E6 PolarHBondContact O-N 3.48Å; D3-Q7 WeakPolarHBondContact O-CB 3.07Å; D3-Q7 VanDerWaalsContact O-CG 3.28Å; D3-Q7 WeakPolarHBondContact O-CG 3.39Å; D3-Q7 PolarHBondContact O-N 3.21Å
4Q82.8Confident83.8Confident145 Ų14588.9 Ų88.968%0.67844%0.444SS*.Hα-helixtrans-61.2-40.1176.5-64.3-165.2101.600112M1 K8M1-Q4 PolarHBondContact O-N 3.41Å; M1-Q4 VanDerWaalsContact O-N 3.11Å; Q4-K8 WeakPolarHBondContact O-CB 3.28Å; Q4-K8 PolarHBondContact O-N 2.75Å
5I82.7Confident84.2Confident12 Ų1289.5 Ų89.56%0.06245%0.448CS..Hα-helixtrans-62-51176.7-63.6175.3000109.4M1 K2 D3 Q7 K8 L9 I19 V32 M55 L61M1-I5 PolarHBondContact O-N 3.26Å; K2-I5 WeakPolarHBondContact O-CB 3.27Å; K2-I5 PolarHBondContact O-N 2.92Å; D3-I5 VanDerWaalsContact C-N 3.29Å; D3-I5 PolarHBondContact O-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.91Å; I5-K8 PolarHBondContact O-N 2.57Å; I5-L9 HydrophobicContact CG2-CD1 4.14Å; I5-L9 WeakPolarHBondContact O-CB 3.21Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.23Å; I5-I19 HydrophobicContact CB-CD1 4.21Å; I5-I19 HydrophobicContact CG2-CD1 3.86Å; I5-I19 HydrophobicContact CG2-CG1 4.3Å; I5-V32 HydrophobicContact CD1-CG2 4.39Å; I5-V32 HydrophobicContact CG2-CB 4.44Å; I5-V32 HydrophobicContact CG2-CG1 3.81Å; I5-V32 HydrophobicContact CG2-CG2 3.74Å; I5-M55 HydrophobicContact CB-CE 4.06Å; I5-M55 HydrophobicContact CB-SD 4.32Å; I5-M55 HydrophobicContact CD1-SD 4.11Å; I5-M55 HydrophobicContact CG1-CE 4.03Å; I5-M55 HydrophobicContact CG1-SD 3.73Å; I5-M55 HydrophobicContact CG2-CE 3.67Å; I5-M55 HydrophobicContact CG2-SD 3.96Å; I5-L61 HydrophobicContact CD1-CD1 4.43Å
6E86.7Confident84.6Confident71 Ų7187.6 Ų87.633%0.33244%0.437SS..Hα-helixtrans-60.3-44.6179.4-166.9-171.9100.700112.1K2 D3 L9 K10 I17 I19K2-E6 PolarHBondContact O-N 3.15Å; D3-E6 PolarHBondContact O-N 3.48Å; E6-L9 PolarHBondContact O-N 2.68Å; E6-K10 HydrophobicContact CG-CD 4.43Å; E6-K10 WeakPolarHBondContact O-CB 3.48Å; E6-K10 WeakPolarHBondContact O-CG 3.19Å; E6-K10 PolarHBondContact O-N 3.15Å; E6-K10 WeakPolarHBondContact OE1-CE 3.36Å; E6-K10 IonicContact OE1-NZ 2.69Å; E6-K10 PolarHBondContact OE1-NZ 3.35Å; E6-I17 HydrophobicContact CG-CD1 4.26Å; E6-I17 HydrophobicContact CG-CG2 4.37Å; E6-I19 HydrophobicContact CB-CD1 3.77Å; E6-I19 HydrophobicContact CG-CD1 4.43Å
7Q88.8Confident85Confident104 Ų10485.1 Ų85.149%0.48643%0.425SS..Hα-helixtrans-61.9-44177.9-71.4-66-52.700111.9D3 I5 L9 K10 S11D3-Q7 WeakPolarHBondContact O-CB 3.07Å; D3-Q7 VanDerWaalsContact O-CG 3.28Å; D3-Q7 WeakPolarHBondContact O-CG 3.39Å; D3-Q7 PolarHBondContact O-N 3.21Å; I5-Q7 PolarHBondContact O-N 2.91Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 3.17Å; Q7-K10 WeakPolarHBondContact O-CB 3.47Å; Q7-K10 PolarHBondContact O-N 3.36Å; Q7-S11 PolarHBondContact O-N 3.16Å
8K84.6Confident85.3Confident99 Ų9984.4 Ų84.443%0.4342%0.42SS..Hα-helixtrans-62.2-43.7176.7-16878.1-174.1-159.70111Q4 I5 S11 E54Q4-K8 WeakPolarHBondContact O-CB 3.28Å; Q4-K8 PolarHBondContact O-N 2.75Å; I5-K8 PolarHBondContact O-N 2.57Å; K8-S11 VanDerWaalsContact O-CB 3.27Å; K8-S11 WeakPolarHBondContact O-CB 3.02Å; K8-S11 PolarHBondContact O-N 3.07Å; K8-E54 WeakPolarHBondContact CE-OE2 3.47Å; K8-E54 IonicContact NZ-OE2 2.57Å; K8-E54 PolarHBondContact NZ-OE2 3.46Å
9L85.7Confident85.5Confident0 Ų082.4 Ų82.40%041%0.411CS..Hα-helixtrans-66.1-38.7177.3-69.3-179.4000112.3I5 E6 Q7 S11 L12 P14 I17 V32 V34 L51I5-L9 HydrophobicContact CG2-CD1 4.14Å; I5-L9 WeakPolarHBondContact O-CB 3.21Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.23Å; E6-L9 PolarHBondContact O-N 2.68Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 3.17Å; L9-S11 PolarHBondContact O-N 3.31Å; L9-S11 VanDerWaalsContact O-N 3.16Å; L9-L12 HydrophobicContact CD2-CD1 4.21Å; L9-L12 WeakPolarHBondContact O-CB 3.3Å; L9-L12 PolarHBondContact O-N 3.47Å; L9-P14 WeakPolarHBondContact O-CD 3.46Å; L9-P14 WeakPolarHBondContact O-CG 3.28Å; L9-I17 HydrophobicContact CB-CD1 3.99Å; L9-I17 HydrophobicContact CB-CG1 4.37Å; L9-I17 HydrophobicContact CD1-CG2 3.77Å; L9-V32 HydrophobicContact CD1-CG1 3.36Å; L9-V34 HydrophobicContact CB-CG2 4.47Å; L9-V34 HydrophobicContact CD1-CB 4.01Å; L9-V34 HydrophobicContact CD1-CG1 4.49Å; L9-V34 HydrophobicContact CD1-CG2 4.28Å; L9-V34 HydrophobicContact CD2-CB 4.16Å; L9-V34 HydrophobicContact CD2-CG1 3.97Å; L9-V34 HydrophobicContact CD2-CG2 4.12Å; L9-L51 HydrophobicContact CD2-CD2 4.04Å
10K88.2Confident85.7Confident104 Ų10481.2 Ų81.245%0.45241%0.408SS..Hα-helixtrans-55.4-30.6174.1-82.3173168.9164.40112.7E6 Q7 L12 N13 I17E6-K10 HydrophobicContact CG-CD 4.43Å; E6-K10 WeakPolarHBondContact O-CB 3.48Å; E6-K10 WeakPolarHBondContact O-CG 3.19Å; E6-K10 PolarHBondContact O-N 3.15Å; E6-K10 WeakPolarHBondContact OE1-CE 3.36Å; E6-K10 IonicContact OE1-NZ 2.69Å; E6-K10 PolarHBondContact OE1-NZ 3.35Å; Q7-K10 WeakPolarHBondContact O-CB 3.47Å; Q7-K10 PolarHBondContact O-N 3.36Å; K10-L12 PolarHBondContact O-N 3.3Å; K10-N13 PolarHBondContact O-N 3.32Å; K10-I17 HydrophobicContact CG-CD1 3.83Å
11S85.7Confident85.8Confident100 Ų10081 Ų8170%0.69941%0.408SS*.THydrogen-bonded Turntrans-65.2-22.1174.1-168.90000113.9Q7 K8 L9 N13Q7-S11 PolarHBondContact O-N 3.16Å; K8-S11 VanDerWaalsContact O-CB 3.27Å; K8-S11 WeakPolarHBondContact O-CB 3.02Å; K8-S11 PolarHBondContact O-N 3.07Å; L9-S11 PolarHBondContact O-N 3.31Å; L9-S11 VanDerWaalsContact O-N 3.16Å; S11-N13 PolarHBondContact O-N 2.82Å
12L82.7Confident86.5Confident40 Ų4080.2 Ų80.221%0.20940%0.4CS..THydrogen-bonded Turntrans-89.814.9177.5-57.9174.5000112.8L9 K10 P14 S36 E38 F39 L51L9-L12 HydrophobicContact CD2-CD1 4.21Å; L9-L12 WeakPolarHBondContact O-CB 3.3Å; L9-L12 PolarHBondContact O-N 3.47Å; K10-L12 PolarHBondContact O-N 3.3Å; L12-P14 VanDerWaalsContact C-CD 3.41Å; L12-P14 VanDerWaalsContact C-N 3.35Å; L12-P14 VanDerWaalsContact O-N 3.16Å; L12-S36 PolarHBondContact O-OG 2.96Å; L12-E38 WeakPolarHBondContact CA-OE2 3.38Å; L12-F39 HydrophobicContact CD1-CE1 4.29Å; L12-F39 HydrophobicContact CD1-CZ 4.13Å; L12-L51 HydrophobicContact CD1-CD2 4.36Å
13N85.7Confident86.5Confident139 Ų13973.5 Ų73.574%0.74337%0.373SS*.  trans40.752.2-177.8-144.467.9000114.8K10 S11K10-N13 PolarHBondContact O-N 3.32Å; S11-N13 PolarHBondContact O-N 2.82Å
14P89Confident86.1Confident26 Ų2676.3 Ų76.317%0.16939%0.388CS..  trans-72143.3-17330.6-36.4000111.1L9 L12 H16 I17 V34 V35L9-P14 WeakPolarHBondContact O-CD 3.46Å; L9-P14 WeakPolarHBondContact O-CG 3.28Å; L12-P14 VanDerWaalsContact C-CD 3.41Å; L12-P14 VanDerWaalsContact C-N 3.35Å; L12-P14 VanDerWaalsContact O-N 3.16Å; P14-H16 VanDerWaalsContact C-N 3.25Å; P14-I17 HydrophobicContact CB-CG1 3.97Å; P14-I17 HydrophobicContact CG-CD1 3.45Å; P14-I17 VanDerWaalsContact CG-CD1 3.45Å; P14-I17 HydrophobicContact CG-CG1 3.35Å; P14-V34 HydrophobicContact CB-CG2 3.39Å; P14-V34 HydrophobicContact CG-CG2 4.06Å; P14-V35 CarbonylContact C-O 3.36Å; P14-V35 VanDerWaalsContact CA-O 3.28Å; P14-V35 WeakPolarHBondContact CA-O 3.48Å; P14-V35 VanDerWaalsContact CB-O 3.3Å; P14-V35 WeakPolarHBondContact CB-O 3.24Å
15L90Very high85.7Confident97 Ų9773 Ų7351%0.50839%0.393SS..SBendtrans-66.4-30170.1-65168.2000111.7V35 Q37 P68L15-V35 WeakPolarHBondContact CA-O 3.42Å; L15-V35 PolarHBondContact N-O 3.49Å; L15-Q37 HydrophobicContact CD1-CG 4.25Å; L15-P68 HydrophobicContact CD1-CB 3.49Å; L15-P68 VanDerWaalsContact CD1-CB 3.49Å; L15-P68 HydrophobicContact CD1-CG 3.66Å
16H89.9Confident85.5Confident60 Ų6076.8 Ų76.828%0.27842%0.419SS..EExtended strand (participates in β ladder)trans-154.9141.7178.7-17778.3000112.3P14 V34 V35 W71P14-H16 VanDerWaalsContact C-N 3.25Å; H16-V34 CarbonylContact O-C 3.32Å; H16-V34 WeakPolarHBondContact O-CA 3.27Å; H16-V35 HydrophobicContact CB-CB 3.95Å; H16-V35 HydrophobicContact CB-CG2 3.88Å; H16-V35 PolarHBondContact N-O 3.4Å; H16-V35 PolarHBondContact O-N 3.07Å; H16-W71 HydrophobicContact CB-CE3 4.36Å; H16-W71 HydrophobicContact CB-CH2 3.08Å; H16-W71 HydrophobicContact CB-CZ2 3.55Å; H16-W71 HydrophobicContact CB-CZ3 3.55Å; H16-W71 AromaticContact CD2-CH2 3.88Å; H16-W71 AromaticContact CD2-CZ2 3.37Å; H16-W71 WeakPolarHBondContact CD2-CZ2 3.43Å; H16-W71 AromaticContact CE1-CZ2 3.95Å; H16-W71 AromaticContact CG-CH2 3.26Å; H16-W71 AromaticContact CG-CZ2 3.26Å; H16-W71 AromaticContact ND1-CH2 3.59Å; H16-W71 AromaticContact ND1-CZ2 3.65Å; H16-W71 AromaticContact NE2-CZ2 3.8Å
17I91.6Very high84.9Confident44 Ų4475 Ų7523%0.22642%0.419CS..EExtended strand (participates in β ladder)trans-131128.7176.6-54.3171.3000107.7E6 L9 K10 P14 I19 K33 V34E6-I17 HydrophobicContact CG-CD1 4.26Å; E6-I17 HydrophobicContact CG-CG2 4.37Å; L9-I17 HydrophobicContact CB-CD1 3.99Å; L9-I17 HydrophobicContact CB-CG1 4.37Å; L9-I17 HydrophobicContact CD1-CG2 3.77Å; K10-I17 HydrophobicContact CG-CD1 3.83Å; P14-I17 HydrophobicContact CB-CG1 3.97Å; P14-I17 HydrophobicContact CG-CD1 3.45Å; P14-I17 VanDerWaalsContact CG-CD1 3.45Å; P14-I17 HydrophobicContact CG-CG1 3.35Å; I17-I19 HydrophobicContact CG2-CD1 4.31Å; I17-I19 HydrophobicContact CG2-CG1 4.13Å; I17-K33 CarbonylContact C-O 3.51Å; I17-V34 HydrophobicContact CG1-CG2 4.39Å
18E90.8Very high84.5Confident73 Ų7374 Ų7434%0.34142%0.417SS..EExtended strand (participates in β ladder)trans-136.5122.2175.6175.5176.586.800108.2V20 V32 K33E18-V20 HydrophobicContact CG-CG2 4.03Å; E18-V32 CarbonylContact O-C 3.53Å; E18-V32 WeakPolarHBondContact O-CA 3.41Å; E18-K33 HydrophobicContact CB-CB 4.21Å; E18-K33 PolarHBondContact N-O 2.99Å; E18-K33 PolarHBondContact O-N 3.36Å; E18-K33 WeakPolarHBondContact OE1-CE 3.1Å; E18-K33 IonicContact OE1-NZ 3.86Å; E18-K33 PolarHBondContact OE1-NZ 2.99Å
19I89.5Confident84.6Confident47 Ų4774.5 Ų74.524%0.24142%0.419CS..EExtended strand (participates in β ladder)trans-118.7115.3-179.1-59.1169.9000107.4K2 I5 E6 I17 V32K2-I19 HydrophobicContact CB-CG2 4.3Å; I5-I19 HydrophobicContact CB-CD1 4.21Å; I5-I19 HydrophobicContact CG2-CD1 3.86Å; I5-I19 HydrophobicContact CG2-CG1 4.3Å; E6-I19 HydrophobicContact CB-CD1 3.77Å; E6-I19 HydrophobicContact CG-CD1 4.43Å; I17-I19 HydrophobicContact CG2-CD1 4.31Å; I17-I19 HydrophobicContact CG2-CG1 4.13Å; I19-V32 HydrophobicContact CG1-CG1 4.22Å; I19-V32 HydrophobicContact CG1-CG2 4.37Å; I19-V32 HydrophobicContact CG2-CG2 4.21Å
20V88.8Confident84.6Confident58 Ų5875.7 Ų75.735%0.35242%0.424SS..EExtended strand (participates in β ladder)trans-114.6126-179.3-1760000108.5E18 F22 F30 D31E18-V20 HydrophobicContact CG-CG2 4.03Å; V20-F22 PolarHBondContact O-N 3.45Å; V20-F30 CarbonylContact O-C 3.43Å; V20-F30 WeakPolarHBondContact O-CA 3.46Å; V20-D31 HydrophobicContact CB-CB 4.34Å; V20-D31 PolarHBondContact N-O 3.36Å; V20-D31 PolarHBondContact O-N 3.19Å
21D87.6Confident84.6Confident77 Ų7771.7 Ų71.741%0.41241%0.408SS..EExtended strand (participates in β ladder)trans-76.1117.6166.2-177.9-89.9000108.4S23 F30D21-S23 PolarHBondContact OD1-N 3.09Å; D21-S23 PolarHBondContact OD1-OG 3.23Å; D21-S23 PolarHBondContact OD2-OG 2.89Å; D21-F30 HydrophobicContact CB-CD1 3.94Å; D21-F30 HydrophobicContact CB-CE1 3.92Å; D21-F30 WeakPolarHBondContact OD2-CD1 3.2Å; D21-F30 WeakPolarHBondContact OD2-CE1 3.3Å; D21-F30 VanDerWaalsContact OD2-CZ 3.32Å; D21-F30 WeakPolarHBondContact OD2-CZ 3.39Å
22F84.6Confident84.8Confident136 Ų13667 Ų6760%0.59638%0.375SS*.  trans-111.822.1177.8-150-94.9000110.7V20 D24 K29V20-F22 PolarHBondContact O-N 3.45Å; F22-D24 VanDerWaalsContact C-N 3.29Å; F22-D24 PolarHBondContact O-N 2.87Å; F22-K29 CarbonylContact C-O 3.57Å; F22-K29 PolarHBondContact N-O 3.1Å
23S76.9Confident85.1Confident11 Ų1167.6 Ų67.68%0.07738%0.376CS..SBendtrans-88.30.4-169.3760000113.3D21 G25 C26 G27 K29D21-S23 PolarHBondContact OD1-N 3.09Å; D21-S23 PolarHBondContact OD1-OG 3.23Å; D21-S23 PolarHBondContact OD2-OG 2.89Å; S23-G25 PolarHBondContact O-N 2.85Å; S23-C26 WeakPolarHBondContact O-CB 3.48Å; S23-C26 PolarHBondContact O-N 3.24Å; S23-G27 WeakPolarHBondContact OG-CA 3.09Å; S23-G27 PolarHBondContact OG-N 3.2Å; S23-K29 WeakPolarHBondContact CB-O 3.49Å; S23-K29 PolarHBondContact N-O 3.27Å; S23-K29 VanDerWaalsContact N-O 3.09Å
24D76.7Confident85.3Confident159 Ų15961 Ų6185%0.8534%0.341SS*.THydrogen-bonded Turntrans45.129.8-176.8-86-86.8000113.2F22F22-D24 VanDerWaalsContact C-N 3.29Å; F22-D24 PolarHBondContact O-N 2.87Å
25G72.9Confident85.4Confident76 Ų7659.7 Ų59.778%0.78433%0.333SS*.THydrogen-bonded Turntrans101.5-5.1179.400000116.1S23S23-G25 PolarHBondContact O-N 2.85Å
26C78.5Confident85.4Confident91 Ų9155.2 Ų55.262%0.61531%0.309SS*.SBendtrans-84-19.9176.2-161.50000113.3S23 L28S23-C26 WeakPolarHBondContact O-CB 3.48Å; S23-C26 PolarHBondContact O-N 3.24Å; C26-L28 HydrophobicContact CB-CG 4.3Å; C26-L28 PolarHBondContact O-N 2.69Å; C26-L28 WeakPolarHBondContact SG-CD1 3.39Å; C26-L28 VanDerWaalsContact SG-CG 3.57Å
27G75.3Confident85.3Confident33 Ų3358.6 Ų58.634%0.3433%0.325SS..SBendtrans68.414.4-176.200000114.4S23 F30S23-G27 WeakPolarHBondContact OG-CA 3.09Å; S23-G27 PolarHBondContact OG-N 3.2Å; G27-F30 VanDerWaalsContact O-CE2 3.25Å; G27-F30 WeakPolarHBondContact O-CE2 3.48Å
28L80.7Confident85Confident83 Ų8361.8 Ų61.844%0.43534%0.339SS..  trans-98.1-8.3-176.9-62.6-178.2000114.2C26 V58 A60C26-L28 HydrophobicContact CB-CG 4.3Å; C26-L28 PolarHBondContact O-N 2.69Å; C26-L28 WeakPolarHBondContact SG-CD1 3.39Å; C26-L28 VanDerWaalsContact SG-CG 3.57Å; L28-V58 WeakPolarHBondContact O-CG1 3.18Å; L28-A60 PolarHBondContact O-N 2.69Å
29K85.4Confident84.7Confident110 Ų11059 Ų5948%0.47833%0.326SS..EExtended strand (participates in β ladder)trans-131.8118-177.1-45.2-167.6174.7-170.90112.6F22 S23 A60F22-K29 CarbonylContact C-O 3.57Å; F22-K29 PolarHBondContact N-O 3.1Å; S23-K29 WeakPolarHBondContact CB-O 3.49Å; S23-K29 PolarHBondContact N-O 3.27Å; S23-K29 VanDerWaalsContact N-O 3.09Å; K29-A60 VanDerWaalsContact CA-O 3.22Å; K29-A60 WeakPolarHBondContact CA-O 3.4Å; K29-A60 HydrophobicContact CD-CB 4.38Å; K29-A60 HydrophobicContact CG-CB 4.02Å
30F86.6Confident84.5Confident25 Ų2560.9 Ų60.911%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-122.8138.7171-58.1-95.9000108.9V20 D21 G27 V58 L61 T62V20-F30 CarbonylContact O-C 3.43Å; V20-F30 WeakPolarHBondContact O-CA 3.46Å; D21-F30 HydrophobicContact CB-CD1 3.94Å; D21-F30 HydrophobicContact CB-CE1 3.92Å; D21-F30 WeakPolarHBondContact OD2-CD1 3.2Å; D21-F30 WeakPolarHBondContact OD2-CE1 3.3Å; D21-F30 VanDerWaalsContact OD2-CZ 3.32Å; D21-F30 WeakPolarHBondContact OD2-CZ 3.39Å; G27-F30 VanDerWaalsContact O-CE2 3.25Å; G27-F30 WeakPolarHBondContact O-CE2 3.48Å; F30-V58 HydrophobicContact CD2-CG1 3.94Å; F30-V58 HydrophobicContact CD2-CG2 4.24Å; F30-V58 HydrophobicContact CE2-CG2 4.49Å; F30-L61 HydrophobicContact CB-CD1 3.62Å; F30-L61 WeakPolarHBondContact O-CD1 3.32Å; F30-T62 PolarHBondContact O-N 2.84Å
31D88.6Confident84.3Confident21 Ų2162.1 Ų62.111%0.11236%0.358CS..EExtended strand (participates in β ladder)trans-104.7114.5171.6-157.6-83.1000107.6V20 T62 K64V20-D31 HydrophobicContact CB-CB 4.34Å; V20-D31 PolarHBondContact N-O 3.36Å; V20-D31 PolarHBondContact O-N 3.19Å; D31-T62 CarbonylContact C-O 3.55Å; D31-T62 WeakPolarHBondContact CA-O 2.94Å; D31-T62 WeakPolarHBondContact OD2-CB 3.25Å; D31-T62 VanDerWaalsContact OD2-CG2 3.23Å; D31-T62 WeakPolarHBondContact OD2-CG2 3.42Å; D31-K64 IonicContact OD1-NZ 3.22Å; D31-K64 PolarHBondContact OD1-NZ 3.19Å; D31-K64 IonicContact OD2-NZ 3.33Å; D31-K64 PolarHBondContact OD2-NZ 2.8Å
32V88.5Confident84.1Confident0 Ų064 Ų640%036%0.363CS..EExtended strand (participates in β ladder)trans-114.4106.2-175.4177.70000107.3I5 L9 E18 I19 L61 T62 L63 K64I5-V32 HydrophobicContact CD1-CG2 4.39Å; I5-V32 HydrophobicContact CG2-CB 4.44Å; I5-V32 HydrophobicContact CG2-CG1 3.81Å; I5-V32 HydrophobicContact CG2-CG2 3.74Å; L9-V32 HydrophobicContact CD1-CG1 3.36Å; E18-V32 CarbonylContact O-C 3.53Å; E18-V32 WeakPolarHBondContact O-CA 3.41Å; I19-V32 HydrophobicContact CG1-CG1 4.22Å; I19-V32 HydrophobicContact CG1-CG2 4.37Å; I19-V32 HydrophobicContact CG2-CG2 4.21Å; V32-L61 HydrophobicContact CG2-CD1 3.93Å; V32-T62 PolarHBondContact N-O 2.75Å; V32-L63 HydrophobicContact CB-CD2 3.7Å; V32-L63 HydrophobicContact CB-CG 4.41Å; V32-L63 HydrophobicContact CG1-CD2 3.79Å; V32-L63 HydrophobicContact CG2-CD2 4.37Å; V32-L63 CarbonylContact O-C 3.52Å; V32-L63 WeakPolarHBondContact O-CA 3.39Å; V32-K64 PolarHBondContact O-N 2.84Å
33K89.6Confident84.1Confident53 Ų5361.5 Ų61.523%0.2336%0.362CS..EExtended strand (participates in β ladder)trans-98.1119.3176.3-175.7-169.3-63.5153.80109.1I17 E18 K64 L66I17-K33 CarbonylContact C-O 3.51Å; E18-K33 HydrophobicContact CB-CB 4.21Å; E18-K33 PolarHBondContact N-O 2.99Å; E18-K33 PolarHBondContact O-N 3.36Å; E18-K33 WeakPolarHBondContact OE1-CE 3.1Å; E18-K33 IonicContact OE1-NZ 3.86Å; E18-K33 PolarHBondContact OE1-NZ 2.99Å; K33-K64 WeakPolarHBondContact CA-O 3.23Å; K33-K64 HydrophobicContact CB-CB 4.15Å; K33-K64 HydrophobicContact CG-CB 4.09Å; K33-L66 HydrophobicContact CD-CD1 4.17Å; K33-L66 HydrophobicContact CG-CD1 4.05Å
34V90.1Very high84.2Confident0 Ų066.7 Ų66.70%039%0.388CS..EExtended strand (participates in β ladder)trans-127.4130.4179.257.40000109.1L9 P14 H16 I17 F39 K64 T65 L66L9-V34 HydrophobicContact CB-CG2 4.47Å; L9-V34 HydrophobicContact CD1-CB 4.01Å; L9-V34 HydrophobicContact CD1-CG1 4.49Å; L9-V34 HydrophobicContact CD1-CG2 4.28Å; L9-V34 HydrophobicContact CD2-CB 4.16Å; L9-V34 HydrophobicContact CD2-CG1 3.97Å; L9-V34 HydrophobicContact CD2-CG2 4.12Å; P14-V34 HydrophobicContact CB-CG2 3.39Å; P14-V34 HydrophobicContact CG-CG2 4.06Å; H16-V34 CarbonylContact O-C 3.32Å; H16-V34 WeakPolarHBondContact O-CA 3.27Å; I17-V34 HydrophobicContact CG1-CG2 4.39Å; V34-F39 HydrophobicContact CB-CE2 4.2Å; V34-F39 HydrophobicContact CB-CZ 4.5Å; V34-F39 HydrophobicContact CG1-CE2 3.55Å; V34-F39 HydrophobicContact CG1-CZ 3.58Å; V34-F39 HydrophobicContact CG2-CE2 3.89Å; V34-F39 HydrophobicContact CG2-CZ 4.2Å; V34-K64 PolarHBondContact N-O 2.77Å; V34-K64 VanDerWaalsContact O-O 3.05Å; V34-T65 HydrophobicContact CG1-CG2 3.94Å; V34-T65 WeakPolarHBondContact O-CA 3.34Å; V34-L66 PolarHBondContact O-N 3.46Å
35V91.2Very high84.6Confident0 Ų063.7 Ų63.70%038%0.376CS..EExtended strand (participates in β ladder)trans-110.9115.4178.3-168.90000107.4P14 L15 H16 L66 P68 W71P14-V35 CarbonylContact C-O 3.36Å; P14-V35 VanDerWaalsContact CA-O 3.28Å; P14-V35 WeakPolarHBondContact CA-O 3.48Å; P14-V35 VanDerWaalsContact CB-O 3.3Å; P14-V35 WeakPolarHBondContact CB-O 3.24Å; L15-V35 WeakPolarHBondContact CA-O 3.42Å; L15-V35 PolarHBondContact N-O 3.49Å; H16-V35 HydrophobicContact CB-CB 3.95Å; H16-V35 HydrophobicContact CB-CG2 3.88Å; H16-V35 PolarHBondContact N-O 3.4Å; H16-V35 PolarHBondContact O-N 3.07Å; V35-L66 VanDerWaalsContact CA-O 3.24Å; V35-L66 WeakPolarHBondContact CA-O 3.49Å; V35-L66 HydrophobicContact CG1-CB 4.49Å; V35-L66 WeakPolarHBondContact CG1-O 3.19Å; V35-L66 HydrophobicContact CG2-CB 4.23Å; V35-P68 HydrophobicContact CG1-CB 4.5Å; V35-W71 HydrophobicContact CB-CB 4.46Å; V35-W71 HydrophobicContact CB-CD2 4.04Å; V35-W71 HydrophobicContact CB-CE3 3.88Å; V35-W71 HydrophobicContact CB-CG 4.32Å; V35-W71 HydrophobicContact CB-CZ3 4.33Å; V35-W71 HydrophobicContact CG1-CB 3.59Å; V35-W71 HydrophobicContact CG1-CD2 3.82Å; V35-W71 HydrophobicContact CG1-CE3 3.53Å; V35-W71 HydrophobicContact CG1-CG 3.9Å; V35-W71 HydrophobicContact CG1-CZ3 4.33Å; V35-W71 HydrophobicContact CG2-CB 4.03Å; V35-W71 HydrophobicContact CG2-CD2 3.47Å; V35-W71 VanDerWaalsContact CG2-CD2 3.47Å; V35-W71 HydrophobicContact CG2-CE3 3.83Å; V35-W71 HydrophobicContact CG2-CG 3.57Å; V35-W71 HydrophobicContact CG2-CZ2 4.32Å; V35-W71 HydrophobicContact CG2-CZ3 4.37Å
36S89.9Confident85.1Confident3 Ų364.5 Ų64.52%0.02136%0.362CS..  trans-145.7147177.6-172.10000110.3L12 E38 F39 L66L12-S36 PolarHBondContact O-OG 2.96Å; S36-E38 PolarHBondContact O-N 2.71Å; S36-E38 PolarHBondContact OG-N 2.9Å; S36-F39 WeakPolarHBondContact O-CD2 3.34Å; S36-F39 PolarHBondContact O-N 3.18Å; S36-L66 PolarHBondContact N-O 3.05Å; S36-L66 VanDerWaalsContact N-O 3.09Å
37Q88.1Confident85.3Confident131 Ų13161.3 Ų61.361%0.61234%0.337SS*.G310 helixtrans-67-21.9170.3-72.5-176.6-76.100111.9L15 F39 E40 P68L15-Q37 HydrophobicContact CD1-CG 4.25Å; Q37-F39 PolarHBondContact O-N 3.49Å; Q37-F39 VanDerWaalsContact O-N 3.15Å; Q37-E40 WeakPolarHBondContact O-CB 3.44Å; Q37-E40 WeakPolarHBondContact O-CG 3.48Å; Q37-E40 PolarHBondContact O-N 3.2Å; Q37-P68 HydrophobicContact CG-CG 3.49Å; Q37-P68 VanDerWaalsContact CG-CG 3.49Å
38E84.7Confident85.5Confident111 Ų11163.2 Ų63.252%0.51934%0.337SS..G310 helixtrans-63.8-20.2176.9-63.7-1449900113.2L12 S36L12-E38 WeakPolarHBondContact CA-OE2 3.38Å; S36-E38 PolarHBondContact O-N 2.71Å; S36-E38 PolarHBondContact OG-N 2.9Å
39F84.9Confident85.5Confident13 Ų1366.6 Ų66.66%0.05734%0.344CS..G310 helixtrans-78.9-24.1173.5-56.1-48.8000112L12 V34 S36 Q37 G41 K42 R47 T65L12-F39 HydrophobicContact CD1-CE1 4.29Å; L12-F39 HydrophobicContact CD1-CZ 4.13Å; V34-F39 HydrophobicContact CB-CE2 4.2Å; V34-F39 HydrophobicContact CB-CZ 4.5Å; V34-F39 HydrophobicContact CG1-CE2 3.55Å; V34-F39 HydrophobicContact CG1-CZ 3.58Å; V34-F39 HydrophobicContact CG2-CE2 3.89Å; V34-F39 HydrophobicContact CG2-CZ 4.2Å; S36-F39 WeakPolarHBondContact O-CD2 3.34Å; S36-F39 PolarHBondContact O-N 3.18Å; Q37-F39 PolarHBondContact O-N 3.49Å; Q37-F39 VanDerWaalsContact O-N 3.15Å; F39-G41 PolarHBondContact O-N 3.11Å; F39-G41 VanDerWaalsContact O-N 3.15Å; F39-K42 PolarHBondContact O-N 3.25Å; F39-R47 HydrophobicContact CD1-CG 4.17Å; F39-R47 PolarHBondContact O-NE 3.23Å; F39-R47 VanDerWaalsContact O-NE 3.17Å; F39-R47 PolarHBondContact O-NH2 3.35Å; F39-T65 HydrophobicContact CD1-CG2 3.88Å; F39-T65 HydrophobicContact CD2-CG2 4.3Å; F39-T65 HydrophobicContact CE1-CG2 3.5Å; F39-T65 HydrophobicContact CE2-CG2 3.96Å; F39-T65 HydrophobicContact CG-CG2 4.28Å; F39-T65 HydrophobicContact CZ-CG2 3.56Å
40E84.6Confident85.2Confident88 Ų8866.4 Ų66.441%0.41135%0.348SS..THydrogen-bonded Turntrans-56121.9175.7-61.6-10162.800109.4Q37 K42 A67 S69Q37-E40 WeakPolarHBondContact O-CB 3.44Å; Q37-E40 WeakPolarHBondContact O-CG 3.48Å; Q37-E40 PolarHBondContact O-N 3.2Å; E40-K42 PolarHBondContact O-N 3.33Å; E40-A67 VanDerWaalsContact CD-CB 3.43Å; E40-A67 HydrophobicContact CG-CB 3.64Å; E40-A67 WeakPolarHBondContact OE1-CB 3.35Å; E40-S69 PolarHBondContact OE2-OG 2.94Å
41G84.6Confident84.7Confident84 Ų8465.5 Ų65.587%0.86634%0.344SS*.THydrogen-bonded Turntrans86.8-13.2-179.400000116.8F39F39-G41 PolarHBondContact O-N 3.11Å; F39-G41 VanDerWaalsContact O-N 3.15Å
42K83.3Confident84.1Confident115 Ų11568.2 Ų68.250%0.536%0.356SS..SBendtrans-80.3143.9171.6-69-72.9-172.8167.80111F39 E40 R47F39-K42 PolarHBondContact O-N 3.25Å; E40-K42 PolarHBondContact O-N 3.33Å; K42-R47 HydrophobicContact CB-CG 3.72Å; K42-R47 PolarHBondContact O-NE 2.87Å; K42-R47 PolarHBondContact O-NH2 3.41Å
43S84.3Confident83.7Confident85 Ų8574.1 Ų74.159%0.59438%0.384SS*.  trans-72.2142.8173.3-62.60000111.6V45 D46 R47S43-V45 VanDerWaalsContact C-N 3.26Å; S43-V45 PolarHBondContact O-N 2.79Å; S43-D46 WeakPolarHBondContact O-CB 3.37Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-R47 WeakPolarHBondContact O-CG 3.27Å; S43-R47 PolarHBondContact O-N 2.78Å; S43-R47 VanDerWaalsContact O-N 3.07Å
44L80.5Confident82.8Confident119 Ų11976.8 Ų76.862%0.62340%0.397SS*.Hα-helixtrans-53.3-40.6-179.6-72172.9000113.2D46 R47 H48L44-D46 PolarHBondContact O-N 2.78Å; L44-R47 PolarHBondContact O-N 2.87Å; L44-H48 WeakPolarHBondContact O-CB 3.38Å; L44-H48 PolarHBondContact O-N 3.42Å
45V85.1Confident82Confident96 Ų9677.7 Ų77.758%0.58240%0.401SS*.Hα-helixtrans-64.1-40.4179178.30000112S43 H48 R49S43-V45 VanDerWaalsContact C-N 3.26Å; S43-V45 PolarHBondContact O-N 2.79Å; V45-H48 PolarHBondContact O-N 3.14Å; V45-R49 PolarHBondContact O-N 3.07Å
46D83.1Confident80.9Confident93 Ų9385.5 Ų85.550%0.49744%0.435SS..Hα-helixtrans-68.3-44.1-179.4-149.2-108.1000110.4S43 L44 H48 R49 L50S43-D46 WeakPolarHBondContact O-CB 3.37Å; S43-D46 PolarHBondContact O-N 2.89Å; L44-D46 PolarHBondContact O-N 2.78Å; D46-H48 VanDerWaalsContact C-N 3.3Å; D46-H48 PolarHBondContact O-N 3.01Å; D46-R49 PolarHBondContact O-N 2.93Å; D46-L50 VanDerWaalsContact O-CB 3.3Å; D46-L50 WeakPolarHBondContact O-CB 3.26Å; D46-L50 PolarHBondContact O-N 3.45Å
47R82.7Confident79.8Confident24 Ų2491.1 Ų91.19%0.09148%0.475CS..Hα-helixtrans-58-43.4173.2-61177.8-156.6177.56.2111.4F39 K42 S43 L44 L51 T65F39-R47 HydrophobicContact CD1-CG 4.17Å; F39-R47 PolarHBondContact O-NE 3.23Å; F39-R47 VanDerWaalsContact O-NE 3.17Å; F39-R47 PolarHBondContact O-NH2 3.35Å; K42-R47 HydrophobicContact CB-CG 3.72Å; K42-R47 PolarHBondContact O-NE 2.87Å; K42-R47 PolarHBondContact O-NH2 3.41Å; S43-R47 WeakPolarHBondContact O-CG 3.27Å; S43-R47 PolarHBondContact O-N 2.78Å; S43-R47 VanDerWaalsContact O-N 3.07Å; L44-R47 PolarHBondContact O-N 2.87Å; R47-L51 WeakPolarHBondContact O-CG 3.28Å; R47-L51 PolarHBondContact O-N 2.87Å; R47-T65 HydrophobicContact CB-CG2 4.18Å; R47-T65 WeakPolarHBondContact CD-OG1 3.22Å; R47-T65 PolarHBondContact NH1-O 2.92Å
48H78.7Confident79Confident74 Ų7486 Ų8634%0.34345%0.452SS..Hα-helixtrans-67.9-52.8-178.9-162.749.4000110.9L44 V45 D46 L50 L51 E52L44-H48 WeakPolarHBondContact O-CB 3.38Å; L44-H48 PolarHBondContact O-N 3.42Å; V45-H48 PolarHBondContact O-N 3.14Å; D46-H48 VanDerWaalsContact C-N 3.3Å; D46-H48 PolarHBondContact O-N 3.01Å; H48-L50 PolarHBondContact O-N 3.37Å; H48-L51 PolarHBondContact O-N 3.4Å; H48-E52 IonicContact CD2-OE1 2.77Å; H48-E52 IonicContact CD2-OE2 3.62Å; H48-E52 PolarHBondContact CD2-OE2 3.36Å; H48-E52 IonicContact CE1-OE1 2.84Å; H48-E52 IonicContact CE1-OE2 3.21Å; H48-E52 IonicContact CG-OE2 2.84Å; H48-E52 IonicContact ND1-OE2 3.75Å; H48-E52 IonicContact NE2-OE1 3.75Å; H48-E52 PolarHBondContact NE2-OE1 2.91Å; H48-E52 IonicContact NE2-OE2 2.69Å; H48-E52 PolarHBondContact NE2-OE2 2.95Å; H48-E52 VanDerWaalsContact O-CB 3.28Å; H48-E52 WeakPolarHBondContact O-CB 3.44Å; H48-E52 VanDerWaalsContact O-CG 3.26Å; H48-E52 WeakPolarHBondContact O-CG 3.14Å; H48-E52 PolarHBondContact O-N 3.22Å
49R81.9Confident78.4Confident153 Ų15389 Ų8958%0.57747%0.466SS*.Hα-helixtrans-56.4-47.7178.2-77.9-179.5-169-93.6-2.2112.5V45 D46 L51 E52 E53V45-R49 PolarHBondContact O-N 3.07Å; D46-R49 PolarHBondContact O-N 2.93Å; R49-L51 VanDerWaalsContact C-N 3.26Å; R49-L51 PolarHBondContact O-N 2.79Å; R49-E52 PolarHBondContact O-N 2.84Å; R49-E53 VanDerWaalsContact O-CB 3.27Å; R49-E53 WeakPolarHBondContact O-CB 3.35Å; R49-E53 VanDerWaalsContact O-CG 3.28Å; R49-E53 WeakPolarHBondContact O-CG 3.33Å; R49-E53 PolarHBondContact O-N 3.15Å
50L77.7Confident78.1Confident106 Ų10690.4 Ų90.456%0.55548%0.48SS*.Hα-helixtrans-55.7-43.5-179.1-176.273.9000111.7D46 H48 E54D46-L50 VanDerWaalsContact O-CB 3.3Å; D46-L50 WeakPolarHBondContact O-CB 3.26Å; D46-L50 PolarHBondContact O-N 3.45Å; H48-L50 PolarHBondContact O-N 3.37Å; L50-E54 WeakPolarHBondContact O-CG 3.43Å
51L76.9Confident78Confident7 Ų786.8 Ų86.84%0.03746%0.463CS..Hα-helixtrans-84.5-36.5-176.7-69.5167.3000112.6L9 L12 R47 H48 R49 E54 M55 L63 T65L9-L51 HydrophobicContact CD2-CD2 4.04Å; L12-L51 HydrophobicContact CD1-CD2 4.36Å; R47-L51 WeakPolarHBondContact O-CG 3.28Å; R47-L51 PolarHBondContact O-N 2.87Å; H48-L51 PolarHBondContact O-N 3.4Å; R49-L51 VanDerWaalsContact C-N 3.26Å; R49-L51 PolarHBondContact O-N 2.79Å; L51-E54 PolarHBondContact O-N 2.76Å; L51-M55 WeakPolarHBondContact O-CB 3.28Å; L51-M55 WeakPolarHBondContact O-CG 3.35Å; L51-M55 PolarHBondContact O-N 2.73Å; L51-L63 HydrophobicContact CB-CB 4.49Å; L51-L63 HydrophobicContact CB-CD1 3.33Å; L51-L63 HydrophobicContact CB-CD2 4.06Å; L51-L63 HydrophobicContact CB-CG 4.13Å; L51-L63 HydrophobicContact CD1-CB 4.21Å; L51-L63 HydrophobicContact CD1-CD1 4.49Å; L51-L63 HydrophobicContact CD1-CD2 4.06Å; L51-L63 HydrophobicContact CD1-CG 4.47Å; L51-L63 HydrophobicContact CG-CD1 4.49Å; L51-L63 HydrophobicContact CG-CD2 4.48Å; L51-T65 HydrophobicContact CD1-CG2 3.4Å
52E76.7Confident77.9Confident78 Ų7886 Ų8636%0.36444%0.442SS..Hα-helixtrans-63.8-41.4174.5-75.4-174.3106.900111.8H48 R49 E54 M55 K56 L63H48-E52 IonicContact CD2-OE1 2.77Å; H48-E52 IonicContact CD2-OE2 3.62Å; H48-E52 PolarHBondContact CD2-OE2 3.36Å; H48-E52 IonicContact CE1-OE1 2.84Å; H48-E52 IonicContact CE1-OE2 3.21Å; H48-E52 IonicContact CG-OE2 2.84Å; H48-E52 IonicContact ND1-OE2 3.75Å; H48-E52 IonicContact NE2-OE1 3.75Å; H48-E52 PolarHBondContact NE2-OE1 2.91Å; H48-E52 IonicContact NE2-OE2 2.69Å; H48-E52 PolarHBondContact NE2-OE2 2.95Å; H48-E52 VanDerWaalsContact O-CB 3.28Å; H48-E52 WeakPolarHBondContact O-CB 3.44Å; H48-E52 VanDerWaalsContact O-CG 3.26Å; H48-E52 WeakPolarHBondContact O-CG 3.14Å; H48-E52 PolarHBondContact O-N 3.22Å; R49-E52 PolarHBondContact O-N 2.84Å; E52-E54 VanDerWaalsContact C-N 3.29Å; E52-E54 PolarHBondContact O-N 2.76Å; E52-M55 CarbonylContact O-C 3.52Å; E52-M55 VanDerWaalsContact O-C 3.32Å; E52-M55 PolarHBondContact O-N 2.77Å; E52-M55 VanDerWaalsContact O-N 3.14Å; E52-K56 WeakPolarHBondContact O-CA 3.36Å; E52-K56 PolarHBondContact O-N 2.91Å; E52-L63 HydrophobicContact CG-CD1 4.37Å
53E78.9Confident77.9Confident124 Ų12481.2 Ų81.258%0.57942%0.421SS*.Hα-helixtrans-62.7-39.1176.4-76-168.390.100111.6R49 M55R49-E53 VanDerWaalsContact O-CB 3.27Å; R49-E53 WeakPolarHBondContact O-CB 3.35Å; R49-E53 VanDerWaalsContact O-CG 3.28Å; R49-E53 WeakPolarHBondContact O-CG 3.33Å; R49-E53 PolarHBondContact O-N 3.15Å; E53-M55 VanDerWaalsContact C-N 3.26Å; E53-M55 PolarHBondContact O-N 2.69Å
54E70.4Confident78Confident109 Ų10981.4 Ų81.451%0.50941%0.412SS..Hα-helixtrans-68.8-26.2175.6-71.9-69.411900112.7K8 L50 L51 E52K8-E54 WeakPolarHBondContact CE-OE2 3.47Å; K8-E54 IonicContact NZ-OE2 2.57Å; K8-E54 PolarHBondContact NZ-OE2 3.46Å; L50-E54 WeakPolarHBondContact O-CG 3.43Å; L51-E54 PolarHBondContact O-N 2.76Å; E52-E54 VanDerWaalsContact C-N 3.29Å; E52-E54 PolarHBondContact O-N 2.76Å
55M73.3Confident78.4Confident18 Ų1876.3 Ų76.39%0.08939%0.385CS..THydrogen-bonded Turntrans-117.125.2-174.1-56.6-174-171.100113.2I5 L51 E52 E53 S57 V58 L61 L63I5-M55 HydrophobicContact CB-CE 4.06Å; I5-M55 HydrophobicContact CB-SD 4.32Å; I5-M55 HydrophobicContact CD1-SD 4.11Å; I5-M55 HydrophobicContact CG1-CE 4.03Å; I5-M55 HydrophobicContact CG1-SD 3.73Å; I5-M55 HydrophobicContact CG2-CE 3.67Å; I5-M55 HydrophobicContact CG2-SD 3.96Å; L51-M55 WeakPolarHBondContact O-CB 3.28Å; L51-M55 WeakPolarHBondContact O-CG 3.35Å; L51-M55 PolarHBondContact O-N 2.73Å; E52-M55 CarbonylContact O-C 3.52Å; E52-M55 VanDerWaalsContact O-C 3.32Å; E52-M55 PolarHBondContact O-N 2.77Å; E52-M55 VanDerWaalsContact O-N 3.14Å; E53-M55 VanDerWaalsContact C-N 3.26Å; E53-M55 PolarHBondContact O-N 2.69Å; M55-S57 PolarHBondContact O-N 3.01Å; M55-V58 PolarHBondContact O-N 3.23Å; M55-L61 HydrophobicContact CB-CD2 3.27Å; M55-L61 HydrophobicContact CG-CD2 3.74Å; M55-L61 HydrophobicContact SD-CD2 3.14Å; M55-L61 WeakPolarHBondContact SD-CD2 3.44Å; M55-L61 HydrophobicContact SD-CG 4.45Å; M55-L63 HydrophobicContact CE-CD2 4.33Å; M55-L63 HydrophobicContact SD-CD2 4.05Å
56K67.8Low78.5Confident164 Ų16474 Ų7471%0.71337%0.369SS*.THydrogen-bonded Turntrans-57.8-12.9-174.9-146.9172.3-169.3172.10115.2E52 V58E52-K56 WeakPolarHBondContact O-CA 3.36Å; E52-K56 PolarHBondContact O-N 2.91Å; K56-V58 VanDerWaalsContact C-N 3.26Å; K56-V58 PolarHBondContact O-N 3.49Å
57S68.6Low78.8Confident121 Ų12169.6 Ų69.685%0.84635%0.346SS*.THydrogen-bonded Turntrans-70.8-19.4173.9-57.40000113.4M55M55-S57 PolarHBondContact O-N 3.01Å
58V69.9Low78.9Confident23 Ų2370.2 Ų70.214%0.13935%0.353CS..SBendtrans-97121.8179-1790000109L28 F30 M55 K56 A60 L61L28-V58 WeakPolarHBondContact O-CG1 3.18Å; F30-V58 HydrophobicContact CD2-CG1 3.94Å; F30-V58 HydrophobicContact CD2-CG2 4.24Å; F30-V58 HydrophobicContact CE2-CG2 4.49Å; M55-V58 PolarHBondContact O-N 3.23Å; K56-V58 VanDerWaalsContact C-N 3.26Å; K56-V58 PolarHBondContact O-N 3.49Å; V58-A60 PolarHBondContact O-N 3.21Å; V58-L61 HydrophobicContact CB-CB 4.06Å; V58-L61 HydrophobicContact CG1-CB 3.92Å; V58-L61 HydrophobicContact CG1-CD1 4.33Å
59H72Confident79.2Confident176 Ų17671.1 Ų71.182%0.81537%0.368SS*.THydrogen-bonded Turntrans-63.6-27.3-173.8-139.294.1000113.5
60A79.5Confident79.3Confident41 Ų4169.1 Ų69.134%0.33937%0.365SS..EExtended strand (participates in β ladder)trans-147.683.4176.500000110.5L28 K29 V58L28-A60 PolarHBondContact O-N 2.69Å; K29-A60 VanDerWaalsContact CA-O 3.22Å; K29-A60 WeakPolarHBondContact CA-O 3.4Å; K29-A60 HydrophobicContact CD-CB 4.38Å; K29-A60 HydrophobicContact CG-CB 4.02Å; V58-A60 PolarHBondContact O-N 3.21Å
61L81.4Confident79.7Confident13 Ų1366.7 Ų66.77%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-96.6120.7174.3-175.978.6000110.9I5 F30 V32 M55 V58 L63I5-L61 HydrophobicContact CD1-CD1 4.43Å; F30-L61 HydrophobicContact CB-CD1 3.62Å; F30-L61 WeakPolarHBondContact O-CD1 3.32Å; V32-L61 HydrophobicContact CG2-CD1 3.93Å; M55-L61 HydrophobicContact CB-CD2 3.27Å; M55-L61 HydrophobicContact CG-CD2 3.74Å; M55-L61 HydrophobicContact SD-CD2 3.14Å; M55-L61 WeakPolarHBondContact SD-CD2 3.44Å; M55-L61 HydrophobicContact SD-CG 4.45Å; V58-L61 HydrophobicContact CB-CB 4.06Å; V58-L61 HydrophobicContact CG1-CB 3.92Å; V58-L61 HydrophobicContact CG1-CD1 4.33Å; L61-L63 HydrophobicContact CD2-CD1 3.38Å; L61-L63 HydrophobicContact CD2-CD2 4.06Å; L61-L63 HydrophobicContact CD2-CG 3.72Å; L61-L63 HydrophobicContact CG-CD1 4.02Å; L61-L63 HydrophobicContact CG-CG 4.04Å
62T84.1Confident79.6Confident68 Ų6871.2 Ų71.242%0.41738%0.38SS..EExtended strand (participates in β ladder)trans-96.2113.4175.2-54.50000109.6F30 D31 V32 K64F30-T62 PolarHBondContact O-N 2.84Å; D31-T62 CarbonylContact C-O 3.55Å; D31-T62 WeakPolarHBondContact CA-O 2.94Å; D31-T62 WeakPolarHBondContact OD2-CB 3.25Å; D31-T62 VanDerWaalsContact OD2-CG2 3.23Å; D31-T62 WeakPolarHBondContact OD2-CG2 3.42Å; V32-T62 PolarHBondContact N-O 2.75Å; T62-K64 HydrophobicContact CG2-CG 4.46Å
63L82.9Confident79.2Confident14 Ų1472.3 Ų72.37%0.07339%0.388CS..EExtended strand (participates in β ladder)trans-105.3115.5176.6-69.8138.4000110V32 L51 E52 M55 L61V32-L63 HydrophobicContact CB-CD2 3.7Å; V32-L63 HydrophobicContact CB-CG 4.41Å; V32-L63 HydrophobicContact CG1-CD2 3.79Å; V32-L63 HydrophobicContact CG2-CD2 4.37Å; V32-L63 CarbonylContact O-C 3.52Å; V32-L63 WeakPolarHBondContact O-CA 3.39Å; L51-L63 HydrophobicContact CB-CB 4.49Å; L51-L63 HydrophobicContact CB-CD1 3.33Å; L51-L63 HydrophobicContact CB-CD2 4.06Å; L51-L63 HydrophobicContact CB-CG 4.13Å; L51-L63 HydrophobicContact CD1-CB 4.21Å; L51-L63 HydrophobicContact CD1-CD1 4.49Å; L51-L63 HydrophobicContact CD1-CD2 4.06Å; L51-L63 HydrophobicContact CD1-CG 4.47Å; L51-L63 HydrophobicContact CG-CD1 4.49Å; L51-L63 HydrophobicContact CG-CD2 4.48Å; E52-L63 HydrophobicContact CG-CD1 4.37Å; M55-L63 HydrophobicContact CE-CD2 4.33Å; M55-L63 HydrophobicContact SD-CD2 4.05Å; L61-L63 HydrophobicContact CD2-CD1 3.38Å; L61-L63 HydrophobicContact CD2-CD2 4.06Å; L61-L63 HydrophobicContact CD2-CG 3.72Å; L61-L63 HydrophobicContact CG-CD1 4.02Å; L61-L63 HydrophobicContact CG-CG 4.04Å
64K86.9Confident78Confident89 Ų8976.1 Ų76.139%0.38740%0.403SS..EExtended strand (participates in β ladder)trans-99.291175.3-69.8-177.3-177.8121.30109.6D31 V32 K33 V34 T62 L66D31-K64 IonicContact OD1-NZ 3.22Å; D31-K64 PolarHBondContact OD1-NZ 3.19Å; D31-K64 IonicContact OD2-NZ 3.33Å; D31-K64 PolarHBondContact OD2-NZ 2.8Å; V32-K64 PolarHBondContact O-N 2.84Å; K33-K64 WeakPolarHBondContact CA-O 3.23Å; K33-K64 HydrophobicContact CB-CB 4.15Å; K33-K64 HydrophobicContact CG-CB 4.09Å; V34-K64 PolarHBondContact N-O 2.77Å; V34-K64 VanDerWaalsContact O-O 3.05Å; T62-K64 HydrophobicContact CG2-CG 4.46Å; K64-L66 PolarHBondContact O-N 3.4Å
65T87.2Confident77.2Confident12 Ų1275.6 Ų75.67%0.07441%0.412CS..EExtended strand (participates in β ladder)trans-84.3101.6172.757.20000110.2V34 F39 R47 L51V34-T65 HydrophobicContact CG1-CG2 3.94Å; V34-T65 WeakPolarHBondContact O-CA 3.34Å; F39-T65 HydrophobicContact CD1-CG2 3.88Å; F39-T65 HydrophobicContact CD2-CG2 4.3Å; F39-T65 HydrophobicContact CE1-CG2 3.5Å; F39-T65 HydrophobicContact CE2-CG2 3.96Å; F39-T65 HydrophobicContact CG-CG2 4.28Å; F39-T65 HydrophobicContact CZ-CG2 3.56Å; R47-T65 HydrophobicContact CB-CG2 4.18Å; R47-T65 WeakPolarHBondContact CD-OG1 3.22Å; R47-T65 PolarHBondContact NH1-O 2.92Å; L51-T65 HydrophobicContact CD1-CG2 3.4Å
66L88Confident76.2Confident47 Ų4784 Ų8425%0.24647%0.472CS..EExtended strand (participates in β ladder)trans-103.4138179.1-62.1171.5000109.6K33 V34 V35 S36 K64 W71K33-L66 HydrophobicContact CD-CD1 4.17Å; K33-L66 HydrophobicContact CG-CD1 4.05Å; V34-L66 PolarHBondContact O-N 3.46Å; V35-L66 VanDerWaalsContact CA-O 3.24Å; V35-L66 WeakPolarHBondContact CA-O 3.49Å; V35-L66 HydrophobicContact CG1-CB 4.49Å; V35-L66 WeakPolarHBondContact CG1-O 3.19Å; V35-L66 HydrophobicContact CG2-CB 4.23Å; S36-L66 PolarHBondContact N-O 3.05Å; S36-L66 VanDerWaalsContact N-O 3.09Å; K64-L66 PolarHBondContact O-N 3.4Å; L66-W71 HydrophobicContact CB-CB 4.44Å
67A88.8Confident76.7Confident0 Ų080 Ų800%046%0.46CS..  trans-71.6152.1162.200000109.7E40 S69 Q70 W71E40-A67 VanDerWaalsContact CD-CB 3.43Å; E40-A67 HydrophobicContact CG-CB 3.64Å; E40-A67 WeakPolarHBondContact OE1-CB 3.35Å; A67-S69 PolarHBondContact O-N 3.31Å; A67-Q70 HydrophobicContact CB-CB 4.4Å; A67-Q70 HydrophobicContact CB-CG 4.13Å; A67-Q70 CarbonylContact O-C 3.52Å; A67-Q70 WeakPolarHBondContact O-CA 3.36Å; A67-Q70 WeakPolarHBondContact O-CB 3.48Å; A67-Q70 PolarHBondContact O-N 3.09Å; A67-W71 PolarHBondContact O-N 2.9Å
68P85.4Confident77.1Confident37 Ų3777.8 Ų77.824%0.2444%0.439CS..THydrogen-bonded Turntrans-54.4-37.1169.819.3-29.7000112.6L15 V35 Q37 Q70 W71L15-P68 HydrophobicContact CD1-CB 3.49Å; L15-P68 VanDerWaalsContact CD1-CB 3.49Å; L15-P68 HydrophobicContact CD1-CG 3.66Å; V35-P68 HydrophobicContact CG1-CB 4.5Å; Q37-P68 HydrophobicContact CG-CG 3.49Å; Q37-P68 VanDerWaalsContact CG-CG 3.49Å; P68-Q70 PolarHBondContact O-N 2.92Å; P68-W71 PolarHBondContact O-N 3.48Å; P68-W71 VanDerWaalsContact O-N 3.1Å
69S85Confident77.5Confident93 Ų9380.8 Ų80.865%0.6546%0.456SS*.THydrogen-bonded Turntrans-59.5-28.8174.6-55.10000113E40 A67E40-S69 PolarHBondContact OE2-OG 2.94Å; A67-S69 PolarHBondContact O-N 3.31Å
70Q84.3Confident77.8Confident111 Ų11175.2 Ų75.252%0.51944%0.435SS..THydrogen-bonded Turntrans-92.7-23.3175.6-63.7-179.9-60.400112.8A67 P68 S72A67-Q70 HydrophobicContact CB-CB 4.4Å; A67-Q70 HydrophobicContact CB-CG 4.13Å; A67-Q70 CarbonylContact O-C 3.52Å; A67-Q70 WeakPolarHBondContact O-CA 3.36Å; A67-Q70 WeakPolarHBondContact O-CB 3.48Å; A67-Q70 PolarHBondContact O-N 3.09Å; P68-Q70 PolarHBondContact O-N 2.92Å; Q70-S72 VanDerWaalsContact C-N 3.33Å; Q70-S72 PolarHBondContact O-N 3.19Å
71W85.3Confident77.7Confident56 Ų5677.4 Ų77.421%0.21244%0.441CS..  trans-81.681.4-179-175.142.9000110.2H16 V35 L66 A67 P68 L73H16-W71 HydrophobicContact CB-CE3 4.36Å; H16-W71 HydrophobicContact CB-CH2 3.08Å; H16-W71 HydrophobicContact CB-CZ2 3.55Å; H16-W71 HydrophobicContact CB-CZ3 3.55Å; H16-W71 AromaticContact CD2-CH2 3.88Å; H16-W71 AromaticContact CD2-CZ2 3.37Å; H16-W71 WeakPolarHBondContact CD2-CZ2 3.43Å; H16-W71 AromaticContact CE1-CZ2 3.95Å; H16-W71 AromaticContact CG-CH2 3.26Å; H16-W71 AromaticContact CG-CZ2 3.26Å; H16-W71 AromaticContact ND1-CH2 3.59Å; H16-W71 AromaticContact ND1-CZ2 3.65Å; H16-W71 AromaticContact NE2-CZ2 3.8Å; V35-W71 HydrophobicContact CB-CB 4.46Å; V35-W71 HydrophobicContact CB-CD2 4.04Å; V35-W71 HydrophobicContact CB-CE3 3.88Å; V35-W71 HydrophobicContact CB-CG 4.32Å; V35-W71 HydrophobicContact CB-CZ3 4.33Å; V35-W71 HydrophobicContact CG1-CB 3.59Å; V35-W71 HydrophobicContact CG1-CD2 3.82Å; V35-W71 HydrophobicContact CG1-CE3 3.53Å; V35-W71 HydrophobicContact CG1-CG 3.9Å; V35-W71 HydrophobicContact CG1-CZ3 4.33Å; V35-W71 HydrophobicContact CG2-CB 4.03Å; V35-W71 HydrophobicContact CG2-CD2 3.47Å; V35-W71 VanDerWaalsContact CG2-CD2 3.47Å; V35-W71 HydrophobicContact CG2-CE3 3.83Å; V35-W71 HydrophobicContact CG2-CG 3.57Å; V35-W71 HydrophobicContact CG2-CZ2 4.32Å; V35-W71 HydrophobicContact CG2-CZ3 4.37Å; L66-W71 HydrophobicContact CB-CB 4.44Å; A67-W71 PolarHBondContact O-N 2.9Å; P68-W71 PolarHBondContact O-N 3.48Å; P68-W71 VanDerWaalsContact O-N 3.1Å; W71-L73 VanDerWaalsContact C-N 3.27Å; W71-L73 HydrophobicContact CD2-CB 4.41Å; W71-L73 HydrophobicContact CD2-CD1 4.19Å; W71-L73 HydrophobicContact CD2-CG 4.34Å; W71-L73 HydrophobicContact CE3-CD1 4.08Å; W71-L73 HydrophobicContact CH2-CD1 3.07Å; W71-L73 HydrophobicContact CH2-CG 3.96Å; W71-L73 HydrophobicContact CZ2-CB 4.42Å; W71-L73 HydrophobicContact CZ2-CD1 3.17Å; W71-L73 HydrophobicContact CZ2-CG 3.5Å; W71-L73 VanDerWaalsContact CZ2-CG 3.5Å; W71-L73 HydrophobicContact CZ3-CD1 3.59Å; W71-L73 PolarHBondContact O-N 2.69Å
72S76Confident77.5Confident101 Ų10181.7 Ų81.771%0.70647%0.466SS*.  trans-70.289.6163.7-69.20000108.6Q70 K74Q70-S72 VanDerWaalsContact C-N 3.33Å; Q70-S72 PolarHBondContact O-N 3.19Å; S72-K74 PolarHBondContact O-N 2.88Å
73L66.9Low77Confident102 Ų10282.6 Ų82.653%0.53447%0.469SS..  trans-64.283.5168.6-139.9165.4000107.3W71 S75W71-L73 VanDerWaalsContact C-N 3.27Å; W71-L73 HydrophobicContact CD2-CB 4.41Å; W71-L73 HydrophobicContact CD2-CD1 4.19Å; W71-L73 HydrophobicContact CD2-CG 4.34Å; W71-L73 HydrophobicContact CE3-CD1 4.08Å; W71-L73 HydrophobicContact CH2-CD1 3.07Å; W71-L73 HydrophobicContact CH2-CG 3.96Å; W71-L73 HydrophobicContact CZ2-CB 4.42Å; W71-L73 HydrophobicContact CZ2-CD1 3.17Å; W71-L73 HydrophobicContact CZ2-CG 3.5Å; W71-L73 VanDerWaalsContact CZ2-CG 3.5Å; W71-L73 HydrophobicContact CZ3-CD1 3.59Å; W71-L73 PolarHBondContact O-N 2.69Å; L73-S75 PolarHBondContact O-N 2.94Å
74K53.8Low76.5Confident203 Ų20387.9 Ų87.988%0.88350%0.499SS*.  trans-69.488.1173.6-100-159.9180-173.80108.2S72S72-K74 PolarHBondContact O-N 2.88Å
75S53.7Low75.7Confident99 Ų9987.8 Ų87.869%0.69251%0.509SS*.  trans-123.480.8147.447.20000106.7L73L73-S75 PolarHBondContact O-N 2.94Å
76S53.6Low74.6Confident193 Ų19394.7 Ų94.7100%1.3555%0.548SS*.  trans-98.80141.3-70.90000107.3

Retrieved 76 of 76 residues in 26.8 ms (Link to these results)

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