A0A3Q0KFG1_SCHMA Loading...

Putative fatty acid binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KFG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 129 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
1M57.3Low89.8Confident230 Ų23063.7 Ų63.7100%1.13333%0.333SS*.  0132.70-66.3-175.1-139.600106.4E3M1-E3 PolarHBondContact O-N 3.41Å
2A79.5Confident90.1Very high23 Ų2365.2 Ų65.219%0.1934%0.337CS..  trans-58.5128.3178.200000108.9L4 V5 L41 D86A2-L4 PolarHBondContact O-N 3.16Å; A2-L4 VanDerWaalsContact O-N 3.1Å; A2-V5 HydrophobicContact CB-CG2 4.24Å; A2-V5 WeakPolarHBondContact O-CB 3.29Å; A2-V5 PolarHBondContact O-N 3.33Å; A2-L41 HydrophobicContact CB-CD2 4.44Å; A2-D86 CarbonylContact C-O 3.58Å
3E92.7Very high90.2Very high63 Ų6362.8 Ų62.829%0.29433%0.329SS..THydrogen-bonded Turntrans-61-22-178.8-67.8-167-145.500111.4M1 V5 D86 K87 V106 R128M1-E3 PolarHBondContact O-N 3.41Å; E3-V5 VanDerWaalsContact C-N 3.26Å; E3-V5 PolarHBondContact O-N 3.3Å; E3-D86 PolarHBondContact N-O 2.95Å; E3-K87 HydrophobicContact CB-CG 4.14Å; E3-K87 HydrophobicContact CG-CG 4.33Å; E3-K87 WeakPolarHBondContact OE1-CE 3.36Å; E3-K87 IonicContact OE1-NZ 3.41Å; E3-K87 PolarHBondContact OE1-NZ 2.88Å; E3-K87 VanDerWaalsContact OE2-CE 3.29Å; E3-K87 WeakPolarHBondContact OE2-CE 3.39Å; E3-K87 IonicContact OE2-NZ 3.92Å; E3-V106 HydrophobicContact CB-CB 4.33Å; E3-V106 HydrophobicContact CB-CG1 4.08Å; E3-R128 PolarHBondContact O-NH1 3.43Å; E3-R128 PolarHBondContact O-NH2 3.04Å
4L93.6Very high90.3Very high1 Ų162.2 Ų62.21%0.00533%0.333CS..THydrogen-bonded Turntrans-58.6-31.9172.1-70.5159000114.2A2 G6 W8 I83 D86 K87 M89 V106 L111A2-L4 PolarHBondContact O-N 3.16Å; A2-L4 VanDerWaalsContact O-N 3.1Å; L4-G6 PolarHBondContact O-N 3.11Å; L4-W8 PolarHBondContact O-NE1 2.72Å; L4-I83 HydrophobicContact CD1-CD1 3.81Å; L4-I83 HydrophobicContact CD1-CG2 4.43Å; L4-D86 PolarHBondContact N-O 2.85Å; L4-K87 WeakPolarHBondContact CD2-O 3.41Å; L4-M89 HydrophobicContact CD1-CB 3.92Å; L4-M89 HydrophobicContact CD2-CB 4.14Å; L4-V106 HydrophobicContact CD2-CG2 3.91Å; L4-V106 HydrophobicContact CG-CG2 4.23Å; L4-L111 HydrophobicContact CD2-CD1 4.06Å
5V95.3Very high90.4Very high48 Ų4864.3 Ų64.329%0.29134%0.344SS..  trans-69.3130.8-175.1176.10000110A2 E3 I39 L41 R128A2-V5 HydrophobicContact CB-CG2 4.24Å; A2-V5 WeakPolarHBondContact O-CB 3.29Å; A2-V5 PolarHBondContact O-N 3.33Å; E3-V5 VanDerWaalsContact C-N 3.26Å; E3-V5 PolarHBondContact O-N 3.3Å; V5-I39 WeakPolarHBondContact CA-O 2.78Å; V5-L41 HydrophobicContact CG2-CB 3.64Å; V5-R128 PolarHBondContact O-NH1 3.4Å
6G95.2Very high90.1Very high22 Ų2260.8 Ų60.823%0.22733%0.326CS..EExtended strand (participates in β ladder)trans146.8-174.6177.700000114.3L4 I38 I39L4-G6 PolarHBondContact O-N 3.11Å; G6-I38 WeakPolarHBondContact O-CA 3.27Å; G6-I39 PolarHBondContact N-O 2.91Å; G6-I39 PolarHBondContact O-N 2.83Å
7T96.5Very high89.9Confident56 Ų5662.8 Ų62.834%0.34433%0.333SS..EExtended strand (participates in β ladder)trans-99.2131.8175-58.90000109.7I38 R128 V129T7-I38 HydrophobicContact CG2-CG1 4.16Å; T7-R128 WeakPolarHBondContact O-CA 3.42Å; T7-V129 HydrophobicContact CG2-CB 3.99Å; T7-V129 HydrophobicContact CG2-CG2 4.09Å; T7-V129 PolarHBondContact O-N 3.4Å
8W96.2Very high89.8Confident0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans-126.4114.8-173.1-60.7103.3000109.4L4 N36 M37 V106 L111 Y126 R128L4-W8 PolarHBondContact O-NE1 2.72Å; W8-N36 CarbonylContact O-C 3.57Å; W8-N36 WeakPolarHBondContact O-CA 3.35Å; W8-M37 WeakPolarHBondContact CA-O 3.09Å; W8-M37 HydrophobicContact CB-CB 4.29Å; W8-M37 WeakPolarHBondContact CB-O 3.23Å; W8-M37 PolarHBondContact N-O 2.86Å; W8-M37 PolarHBondContact O-N 3.37Å; W8-V106 HydrophobicContact CH2-CG1 3.93Å; W8-V106 HydrophobicContact CH2-CG2 3.87Å; W8-V106 HydrophobicContact CZ2-CG2 3.78Å; W8-L111 HydrophobicContact CB-CD2 4.2Å; W8-L111 HydrophobicContact CD2-CB 3.57Å; W8-L111 HydrophobicContact CD2-CD2 3.87Å; W8-L111 HydrophobicContact CD2-CG 4.26Å; W8-L111 HydrophobicContact CE3-CB 3.35Å; W8-L111 HydrophobicContact CE3-CG 4.49Å; W8-L111 HydrophobicContact CG-CB 4.22Å; W8-L111 HydrophobicContact CG-CD2 3.72Å; W8-L111 HydrophobicContact CH2-CB 3.89Å; W8-L111 HydrophobicContact CZ2-CB 4.11Å; W8-L111 HydrophobicContact CZ2-CD1 4.28Å; W8-L111 HydrophobicContact CZ3-CB 3.53Å; W8-Y126 HydrophobicContact CB-CD1 4.38Å; W8-Y126 HydrophobicContact CB-CG 4.3Å; W8-R128 HydrophobicContact CE3-CB 3.96Å; W8-R128 HydrophobicContact CH2-CB 4.28Å; W8-R128 VanDerWaalsContact CH2-CZ 3.42Å; W8-R128 HydrophobicContact CZ3-CB 3.65Å; W8-R128 HydrophobicContact CZ3-CG 4.32Å
9K94.6Very high89.5Confident122 Ų12258.6 Ų58.653%0.5331%0.309SS..EExtended strand (participates in β ladder)trans-94.4136.1179.7-175174.2-176175.90110.7L11 N36 Y126 Q127 V129K9-L11 PolarHBondContact O-N 2.83Å; K9-N36 WeakPolarHBondContact CA-OD1 3.43Å; K9-N36 WeakPolarHBondContact CG-OD1 3.43Å; K9-Y126 CarbonylContact O-C 3.55Å; K9-Y126 WeakPolarHBondContact O-CA 3.45Å; K9-Y126 WeakPolarHBondContact O-CB 3.18Å; K9-Q127 PolarHBondContact N-O 3.13Å; K9-Q127 PolarHBondContact O-N 3.24Å; K9-V129 HydrophobicContact CB-CG2 3.62Å
10Y94Very high89.1Confident48 Ų4859 Ų5919%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-52.4130.4175.4176.3-88.5000111.4S13 K34 S35 N36 I124Y10-S13 PolarHBondContact OH-N 2.84Å; Y10-S13 PolarHBondContact OH-OG 2.85Å; Y10-K34 HydrophobicContact CD1-CB 3.94Å; Y10-K34 HydrophobicContact CD1-CD 4.13Å; Y10-K34 HydrophobicContact CD1-CG 4.09Å; Y10-K34 HydrophobicContact CD2-CB 4.27Å; Y10-K34 HydrophobicContact CE1-CB 4.23Å; Y10-K34 HydrophobicContact CE1-CD 3.78Å; Y10-K34 HydrophobicContact CE1-CG 3.85Å; Y10-K34 HydrophobicContact CE2-CG 4.29Å; Y10-K34 HydrophobicContact CG-CB 3.97Å; Y10-K34 HydrophobicContact CG-CG 4.44Å; Y10-S35 WeakPolarHBondContact CB-O 3.28Å; Y10-N36 PolarHBondContact N-OD1 2.71Å; Y10-I124 HydrophobicContact CD2-CG2 3.95Å; Y10-I124 HydrophobicContact CE2-CG2 3.91Å
11L93Very high88.9Confident88 Ų8863.7 Ų63.746%0.46133%0.33SS..EExtended strand (participates in β ladder)trans-110.1-65.5176-177.766.9000110.8K9 K125K9-L11 PolarHBondContact O-N 2.83Å; L11-K125 HydrophobicContact CB-CB 4.47Å; L11-K125 WeakPolarHBondContact CB-O 3.43Å; L11-K125 HydrophobicContact CD2-CB 4.47Å; L11-K125 PolarHBondContact N-O 2.81Å
12E92.7Very high90Very high81 Ų8153.2 Ų53.238%0.37928%0.279SS..EExtended strand (participates in β ladder)trans-153.3165.2-177.562.7174.7161.400111.3K125E12-K125 HydrophobicContact CG-CB 4Å; E12-K125 HydrophobicContact CG-CD 4.07Å; E12-K125 HydrophobicContact CG-CG 4.26Å; E12-K125 PolarHBondContact N-O 2.87Å; E12-K125 PolarHBondContact O-N 3.14Å; E12-K125 WeakPolarHBondContact OE1-CD 3.47Å; E12-K125 WeakPolarHBondContact OE1-CE 3.48Å; E12-K125 IonicContact OE1-NZ 3.65Å; E12-K125 PolarHBondContact OE1-NZ 2.99Å
13S91.6Very high89.8Confident34 Ų3456.8 Ų56.824%0.23830%0.3CS..EExtended strand (participates in β ladder)trans-139.9154.5172.4570000110.8Y10 T123Y10-S13 PolarHBondContact OH-N 2.84Å; Y10-S13 PolarHBondContact OH-OG 2.85Å; S13-T123 CarbonylContact C-O 3.51Å; S13-T123 VanDerWaalsContact CA-O 3.25Å; S13-T123 WeakPolarHBondContact CA-O 3.25Å
14S92.2Very high89Confident55 Ų5554.4 Ų54.439%0.38529%0.289SS..EExtended strand (participates in β ladder)trans-140.3141.7-177.3-520000110.1V16 T123S14-V16 PolarHBondContact O-N 3.1Å; S14-V16 VanDerWaalsContact O-N 3.16Å; S14-T123 PolarHBondContact N-O 2.89Å; S14-T123 PolarHBondContact O-N 3.33Å
15N91Very high88.1Confident93 Ų9358.4 Ų58.450%0.49731%0.311SS..SBendtrans55.624.5-178.4-66.717.4000114.4E17 E18 I121 A122N15-E17 VanDerWaalsContact C-OE2 3.31Å; N15-E17 WeakPolarHBondContact CA-OE2 3.4Å; N15-E17 PolarHBondContact O-N 2.69Å; N15-E18 HydrophobicContact CB-CG 4.34Å; N15-E18 WeakPolarHBondContact O-CB 3.5Å; N15-E18 PolarHBondContact O-N 3.3Å; N15-E18 VanDerWaalsContact O-N 3.1Å; N15-I121 WeakPolarHBondContact CB-O 3.38Å; N15-A122 WeakPolarHBondContact O-CB 3.28Å
16V86.5Confident87.1Confident8 Ų857.2 Ų57.25%0.04830%0.304CS..G310 helixtrans-60.6-33.5178.3-76.90000111.4S14 E18 L19 F27 I30 A122S14-V16 PolarHBondContact O-N 3.1Å; S14-V16 VanDerWaalsContact O-N 3.16Å; V16-E18 PolarHBondContact O-N 2.95Å; V16-E18 VanDerWaalsContact O-N 3.14Å; V16-L19 VanDerWaalsContact O-CB 3.32Å; V16-L19 WeakPolarHBondContact O-CB 3.49Å; V16-L19 PolarHBondContact O-N 2.85Å; V16-F27 VanDerWaalsContact C-CD2 3.45Å; V16-F27 VanDerWaalsContact C-CE2 3.5Å; V16-F27 HydrophobicContact CB-CD2 4.26Å; V16-F27 HydrophobicContact CB-CE2 4.17Å; V16-F27 HydrophobicContact CG2-CE2 4.16Å; V16-F27 WeakPolarHBondContact O-CD2 3.49Å; V16-F27 WeakPolarHBondContact O-CE2 3.35Å; V16-I30 HydrophobicContact CG1-CG2 3.74Å; V16-A122 HydrophobicContact CG1-CB 4.09Å
17E86.8Confident86Confident96 Ų9657.9 Ų57.945%0.44930%0.3SS..G310 helixtrans-57.1-24.8175.866.3-82.2-16800113.8N15 L19 S20 F27N15-E17 VanDerWaalsContact C-OE2 3.31Å; N15-E17 WeakPolarHBondContact CA-OE2 3.4Å; N15-E17 PolarHBondContact O-N 2.69Å; E17-L19 PolarHBondContact O-N 3Å; E17-S20 VanDerWaalsContact O-CB 3.31Å; E17-S20 WeakPolarHBondContact O-CB 3.49Å; E17-S20 PolarHBondContact O-N 2.86Å; E17-S20 VanDerWaalsContact O-N 3.14Å; E17-S20 PolarHBondContact O-OG 3.42Å; E17-F27 HydrophobicContact CB-CE2 4.18Å; E17-F27 HydrophobicContact CB-CZ 4.37Å
18E87.6Confident84.9Confident45 Ų4557.9 Ų57.921%0.2130%0.298CS..G310 helixtrans-65.6-29.9174.2-72.9-64.9133.200111.5N15 V16 S20 R21 H120N15-E18 HydrophobicContact CB-CG 4.34Å; N15-E18 WeakPolarHBondContact O-CB 3.5Å; N15-E18 PolarHBondContact O-N 3.3Å; N15-E18 VanDerWaalsContact O-N 3.1Å; V16-E18 PolarHBondContact O-N 2.95Å; V16-E18 VanDerWaalsContact O-N 3.14Å; E18-S20 PolarHBondContact O-N 3.34Å; E18-R21 WeakPolarHBondContact O-CB 3.36Å; E18-R21 PolarHBondContact O-N 3.38Å; E18-R21 VanDerWaalsContact O-N 3.16Å; E18-R21 IonicContact OE1-CZ 3.28Å; E18-R21 IonicContact OE1-NE 3.29Å; E18-R21 IonicContact OE1-NH1 3.54Å; E18-R21 PolarHBondContact OE1-NH1 2.83Å; E18-R21 IonicContact OE1-NH2 2.68Å; E18-R21 PolarHBondContact OE1-NH2 2.83Å; E18-R21 IonicContact OE2-CZ 2.65Å; E18-R21 IonicContact OE2-NH1 3.57Å; E18-R21 PolarHBondContact OE2-NH1 2.87Å; E18-H120 HydrophobicContact CB-CB 4.07Å; E18-H120 WeakPolarHBondContact O-CB 3.26Å; E18-H120 VanDerWaalsContact O-CG 3.31Å; E18-H120 PolarHBondContact O-ND1 2.53Å; E18-H120 IonicContact OE2-CE1 3.66Å; E18-H120 IonicContact OE2-ND1 3.33Å; E18-H120 PolarHBondContact OE2-ND1 3.49Å
19L84.5Confident83.8Confident1 Ų159 Ų591%0.00531%0.305CS..G310 helixtrans-67.7-21176.5-59.2-179.2000112.4V16 E17 R21 T22 V26 F27 I30 I115 A122V16-L19 VanDerWaalsContact O-CB 3.32Å; V16-L19 WeakPolarHBondContact O-CB 3.49Å; V16-L19 PolarHBondContact O-N 2.85Å; E17-L19 PolarHBondContact O-N 3Å; L19-R21 PolarHBondContact O-N 3.15Å; L19-T22 WeakPolarHBondContact O-CB 3.39Å; L19-T22 PolarHBondContact O-N 2.88Å; L19-T22 VanDerWaalsContact O-N 3.07Å; L19-T22 PolarHBondContact O-OG1 2.77Å; L19-V26 HydrophobicContact CD1-CG1 4.24Å; L19-F27 HydrophobicContact CB-CB 4Å; L19-I30 HydrophobicContact CD1-CD1 3.51Å; L19-I115 HydrophobicContact CD1-CB 4.31Å; L19-I115 HydrophobicContact CD1-CD1 4.45Å; L19-I115 HydrophobicContact CD1-CG2 4.01Å; L19-I115 HydrophobicContact CD2-CG2 4.07Å; L19-A122 HydrophobicContact CD1-CB 3.64Å; L19-A122 HydrophobicContact CD2-CB 4.21Å; L19-A122 HydrophobicContact CG-CB 3.71Å
20S82Confident82.8Confident65 Ų6554.4 Ų54.446%0.45529%0.286SS..G310 helixtrans-66.1-17.5175.774.30000112.9E17 E18 T22 F27E17-S20 VanDerWaalsContact O-CB 3.31Å; E17-S20 WeakPolarHBondContact O-CB 3.49Å; E17-S20 PolarHBondContact O-N 2.86Å; E17-S20 VanDerWaalsContact O-N 3.14Å; E17-S20 PolarHBondContact O-OG 3.42Å; E18-S20 PolarHBondContact O-N 3.34Å; S20-T22 VanDerWaalsContact C-N 3.34Å; S20-F27 VanDerWaalsContact CB-CD1 3.45Å
21R83.5Confident81.9Confident158 Ų15855.7 Ų55.760%0.59630%0.296SS*.G310 helixtrans-86.2-10.3176.9-58.7-179.7177.2162.74.4112.7E18 L19E18-R21 WeakPolarHBondContact O-CB 3.36Å; E18-R21 PolarHBondContact O-N 3.38Å; E18-R21 VanDerWaalsContact O-N 3.16Å; E18-R21 IonicContact OE1-CZ 3.28Å; E18-R21 IonicContact OE1-NE 3.29Å; E18-R21 IonicContact OE1-NH1 3.54Å; E18-R21 PolarHBondContact OE1-NH1 2.83Å; E18-R21 IonicContact OE1-NH2 2.68Å; E18-R21 PolarHBondContact OE1-NH2 2.83Å; E18-R21 IonicContact OE2-CZ 2.65Å; E18-R21 IonicContact OE2-NH1 3.57Å; E18-R21 PolarHBondContact OE2-NH1 2.87Å; L19-R21 PolarHBondContact O-N 3.15Å
22T80.4Confident80.7Confident10 Ų1059 Ų596%0.06131%0.307CS..SBendtrans-75.5156.4172.472.70000108.8L19 S20 N24 H120L19-T22 WeakPolarHBondContact O-CB 3.39Å; L19-T22 PolarHBondContact O-N 2.88Å; L19-T22 VanDerWaalsContact O-N 3.07Å; L19-T22 PolarHBondContact O-OG1 2.77Å; S20-T22 VanDerWaalsContact C-N 3.34Å; T22-N24 PolarHBondContact O-N 3.09Å; T22-N24 WeakPolarHBondContact OG1-CA 3.49Å; T22-N24 PolarHBondContact OG1-N 2.89Å; T22-H120 HydrophobicContact CG2-CB 4.11Å
23P76.2Confident79.5Confident98 Ų9858.1 Ų58.164%0.63630%0.303SS*.SBendtrans-60.7-7.9169.9-17.230.2000113.1
24N75.4Confident78.9Confident13 Ų1362.9 Ų62.97%0.0732%0.32CS..  trans-73.9134-173.555.3-69.4000113.8T22 V26 D73 R75T22-N24 PolarHBondContact O-N 3.09Å; T22-N24 WeakPolarHBondContact OG1-CA 3.49Å; T22-N24 PolarHBondContact OG1-N 2.89Å; N24-V26 HydrophobicContact CB-CG2 4.27Å; N24-V26 PolarHBondContact O-N 2.78Å; N24-D73 WeakPolarHBondContact CB-OD2 3.43Å; N24-R75 PolarHBondContact ND2-NH1 3.17Å; N24-R75 PolarHBondContact ND2-NH2 2.86Å
25D75.5Confident78.6Confident86 Ų8661.1 Ų61.146%0.4631%0.307SS..THydrogen-bonded Turntrans-84.514.6165.7-151.325.3000112.9F27 N28 V29 D73D25-F27 PolarHBondContact O-N 3.11Å; D25-N28 PolarHBondContact O-N 2.82Å; D25-N28 VanDerWaalsContact O-N 3.13Å; D25-N28 WeakPolarHBondContact OD1-CB 3.48Å; D25-N28 PolarHBondContact OD1-ND2 2.82Å; D25-V29 PolarHBondContact O-N 3Å; D25-D73 HydrophobicContact CB-CB 3.98Å; D25-D73 PolarHBondContact N-OD2 2.87Å
26V73.1Confident78.6Confident23 Ų2359.2 Ų59.214%0.13930%0.297CS..Hα-helixtrans-54.5-35.6179178.90000112.3L19 N24 V29 I30 D73 R75L19-V26 HydrophobicContact CD1-CG1 4.24Å; N24-V26 HydrophobicContact CB-CG2 4.27Å; N24-V26 PolarHBondContact O-N 2.78Å; V26-V29 PolarHBondContact O-N 3.2Å; V26-I30 HydrophobicContact CG1-CD1 3.49Å; V26-I30 VanDerWaalsContact CG1-CD1 3.49Å; V26-I30 HydrophobicContact CG1-CG1 4.27Å; V26-I30 WeakPolarHBondContact O-CG1 3.25Å; V26-I30 PolarHBondContact O-N 2.95Å; V26-D73 WeakPolarHBondContact CG2-OD2 3.37Å; V26-R75 VanDerWaalsContact CG2-NH2 3.29Å
27F73.1Confident78.9Confident35 Ų3559 Ų5915%0.15430%0.296CS..Hα-helixtrans-60.1-48177170.4-115.1000112.7V16 E17 L19 S20 D25 V29 I30 N31V16-F27 VanDerWaalsContact C-CD2 3.45Å; V16-F27 VanDerWaalsContact C-CE2 3.5Å; V16-F27 HydrophobicContact CB-CD2 4.26Å; V16-F27 HydrophobicContact CB-CE2 4.17Å; V16-F27 HydrophobicContact CG2-CE2 4.16Å; V16-F27 WeakPolarHBondContact O-CD2 3.49Å; V16-F27 WeakPolarHBondContact O-CE2 3.35Å; E17-F27 HydrophobicContact CB-CE2 4.18Å; E17-F27 HydrophobicContact CB-CZ 4.37Å; L19-F27 HydrophobicContact CB-CB 4Å; S20-F27 VanDerWaalsContact CB-CD1 3.45Å; D25-F27 PolarHBondContact O-N 3.11Å; F27-V29 VanDerWaalsContact C-N 3.27Å; F27-V29 PolarHBondContact O-N 2.82Å; F27-I30 PolarHBondContact O-N 2.95Å; F27-N31 HydrophobicContact CD2-CB 4.13Å; F27-N31 HydrophobicContact CE2-CB 3.79Å; F27-N31 HydrophobicContact CZ-CB 4.13Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.48Å; F27-N31 WeakPolarHBondContact O-CB 3.32Å; F27-N31 PolarHBondContact O-N 2.97Å
28N72.9Confident79.3Confident56 Ų5656.9 Ų56.930%0.29929%0.287SS..Hα-helixtrans-64.1-37.9-177-87-32.3000111.2D25 K32D25-N28 PolarHBondContact O-N 2.82Å; D25-N28 VanDerWaalsContact O-N 3.13Å; D25-N28 WeakPolarHBondContact OD1-CB 3.48Å; D25-N28 PolarHBondContact OD1-ND2 2.82Å; N28-K32 VanDerWaalsContact O-CB 3.26Å; N28-K32 WeakPolarHBondContact O-CB 3.46Å; N28-K32 VanDerWaalsContact O-CG 3.26Å; N28-K32 WeakPolarHBondContact O-CG 3.47Å; N28-K32 PolarHBondContact O-N 2.85Å
29V72.6Confident79.7Confident23 Ų2354.9 Ų54.914%0.13928%0.278CS..Hα-helixtrans-60.3-61.9173.1175.60000109.6D25 V26 F27 N31 K32 M33 F72 D73D25-V29 PolarHBondContact O-N 3Å; V26-V29 PolarHBondContact O-N 3.2Å; F27-V29 VanDerWaalsContact C-N 3.27Å; F27-V29 PolarHBondContact O-N 2.82Å; V29-N31 PolarHBondContact O-N 3.48Å; V29-K32 PolarHBondContact O-N 2.95Å; V29-M33 HydrophobicContact CB-SD 4.29Å; V29-M33 HydrophobicContact CG1-SD 3.65Å; V29-M33 WeakPolarHBondContact O-CB 3.41Å; V29-M33 VanDerWaalsContact O-CG 3.26Å; V29-M33 WeakPolarHBondContact O-CG 3.43Å; V29-M33 PolarHBondContact O-N 3.39Å; V29-F72 HydrophobicContact CB-CB 4.36Å; V29-F72 HydrophobicContact CG1-CB 3.5Å; V29-F72 VanDerWaalsContact CG1-CB 3.5Å; V29-F72 HydrophobicContact CG1-CD2 4.33Å; V29-F72 HydrophobicContact CG1-CG 3.99Å; V29-F72 HydrophobicContact CG2-CB 4Å; V29-D73 HydrophobicContact CG2-CB 4.18Å
30I75.1Confident80.2Confident26 Ų2659 Ų5913%0.13330%0.3CS..Hα-helixtrans-58.9-47.4-173.7-68.8165.1000112.2V16 L19 V26 F27 K32 I115 I124V16-I30 HydrophobicContact CG1-CG2 3.74Å; L19-I30 HydrophobicContact CD1-CD1 3.51Å; V26-I30 HydrophobicContact CG1-CD1 3.49Å; V26-I30 VanDerWaalsContact CG1-CD1 3.49Å; V26-I30 HydrophobicContact CG1-CG1 4.27Å; V26-I30 WeakPolarHBondContact O-CG1 3.25Å; V26-I30 PolarHBondContact O-N 2.95Å; F27-I30 PolarHBondContact O-N 2.95Å; I30-K32 PolarHBondContact O-N 2.9Å; I30-I115 HydrophobicContact CD1-CD1 3.34Å; I30-I115 HydrophobicContact CG1-CD1 4.39Å; I30-I124 HydrophobicContact CD1-CD1 4.31Å; I30-I124 HydrophobicContact CG1-CD1 4.29Å; I30-I124 HydrophobicContact CG2-CD1 3.51Å; I30-I124 HydrophobicContact CG2-CG1 4.16Å
31N73.5Confident80.8Confident76 Ų7658.4 Ų58.441%0.40629%0.291SS..Hα-helixtrans-68.5-35.8-173-170.333.3000112.1F27 V29F27-N31 HydrophobicContact CD2-CB 4.13Å; F27-N31 HydrophobicContact CE2-CB 3.79Å; F27-N31 HydrophobicContact CZ-CB 4.13Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.48Å; F27-N31 WeakPolarHBondContact O-CB 3.32Å; F27-N31 PolarHBondContact O-N 2.97Å; V29-N31 PolarHBondContact O-N 3.48Å
32K67.6Low81.1Confident157 Ų15756.2 Ų56.268%0.68329%0.292SS*.Hα-helixtrans-82.9-34.8-179.9-68.2176.7-177.61720112.6N28 V29 I30N28-K32 VanDerWaalsContact O-CB 3.26Å; N28-K32 WeakPolarHBondContact O-CB 3.46Å; N28-K32 VanDerWaalsContact O-CG 3.26Å; N28-K32 WeakPolarHBondContact O-CG 3.47Å; N28-K32 PolarHBondContact O-N 2.85Å; V29-K32 PolarHBondContact O-N 2.95Å; I30-K32 PolarHBondContact O-N 2.9Å
33M68.3Low81.4Confident62 Ų6263.4 Ų63.431%0.30533%0.329SS..Hα-helixtrans-93.7-11-158.3-70.8179.9147.800115.1V29 S35 I52V29-M33 HydrophobicContact CB-SD 4.29Å; V29-M33 HydrophobicContact CG1-SD 3.65Å; V29-M33 WeakPolarHBondContact O-CB 3.41Å; V29-M33 VanDerWaalsContact O-CG 3.26Å; V29-M33 WeakPolarHBondContact O-CG 3.43Å; V29-M33 PolarHBondContact O-N 3.39Å; M33-S35 WeakPolarHBondContact O-CA 3.47Å; M33-S35 PolarHBondContact O-N 2.97Å; M33-I52 HydrophobicContact CB-CB 4.29Å; M33-I52 HydrophobicContact CB-CD1 3.93Å; M33-I52 HydrophobicContact CB-CG1 3.99Å; M33-I52 HydrophobicContact CB-CG2 3.38Å; M33-I52 HydrophobicContact CE-CG2 3.93Å; M33-I52 HydrophobicContact CG-CD1 4.31Å; M33-I52 HydrophobicContact CG-CG2 3.4Å; M33-I52 VanDerWaalsContact CG-CG2 3.4Å; M33-I52 HydrophobicContact SD-CD1 3.7Å; M33-I52 HydrophobicContact SD-CG2 3.73Å
34K79.5Confident82.2Confident134 Ų13462.8 Ų62.858%0.58332%0.321SS*.  trans27.855.4175.9-66.7-171.9180179.80112.7Y10Y10-K34 HydrophobicContact CD1-CB 3.94Å; Y10-K34 HydrophobicContact CD1-CD 4.13Å; Y10-K34 HydrophobicContact CD1-CG 4.09Å; Y10-K34 HydrophobicContact CD2-CB 4.27Å; Y10-K34 HydrophobicContact CE1-CB 4.23Å; Y10-K34 HydrophobicContact CE1-CD 3.78Å; Y10-K34 HydrophobicContact CE1-CG 3.85Å; Y10-K34 HydrophobicContact CE2-CG 4.29Å; Y10-K34 HydrophobicContact CG-CB 3.97Å; Y10-K34 HydrophobicContact CG-CG 4.44Å
35S85Confident83.1Confident18 Ų1866.5 Ų66.513%0.12634%0.338CS..  trans-71.6148.8-164.160.70000112.4Y10 M33 I51 Y126Y10-S35 WeakPolarHBondContact CB-O 3.28Å; M33-S35 WeakPolarHBondContact O-CA 3.47Å; M33-S35 PolarHBondContact O-N 2.97Å; S35-I51 CarbonylContact C-O 3.49Å; S35-I51 VanDerWaalsContact CA-O 3.25Å; S35-I51 WeakPolarHBondContact CA-O 3.39Å; S35-Y126 VanDerWaalsContact O-CE1 3.23Å; S35-Y126 WeakPolarHBondContact O-CE1 3.26Å
36N91.2Very high84Confident54 Ų5462.4 Ų62.429%0.28932%0.316SS..EExtended strand (participates in β ladder)trans-90159.3159.9-57.1-38.1000109.9W8 K9 Y10 M50 I51W8-N36 CarbonylContact O-C 3.57Å; W8-N36 WeakPolarHBondContact O-CA 3.35Å; K9-N36 WeakPolarHBondContact CA-OD1 3.43Å; K9-N36 WeakPolarHBondContact CG-OD1 3.43Å; Y10-N36 PolarHBondContact N-OD1 2.71Å; N36-M50 WeakPolarHBondContact O-CA 3.43Å; N36-I51 HydrophobicContact CB-CB 4.39Å; N36-I51 PolarHBondContact N-O 2.84Å; N36-I51 PolarHBondContact O-N 2.81Å
37M93Very high85Confident2 Ų267 Ų671%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-134.5137.5-177.7-170177.8-53.600110.2W8 I39 I48 K49 M50 R104 L111 Y126W8-M37 WeakPolarHBondContact CA-O 3.09Å; W8-M37 HydrophobicContact CB-CB 4.29Å; W8-M37 WeakPolarHBondContact CB-O 3.23Å; W8-M37 PolarHBondContact N-O 2.86Å; W8-M37 PolarHBondContact O-N 3.37Å; M37-I39 HydrophobicContact CG-CG1 4.04Å; M37-I39 HydrophobicContact SD-CD1 3.95Å; M37-I39 HydrophobicContact SD-CG1 4.06Å; M37-I48 HydrophobicContact CG-CG2 4.14Å; M37-I48 HydrophobicContact SD-CG2 4.17Å; M37-K49 CarbonylContact C-O 3.5Å; M37-K49 VanDerWaalsContact CA-O 3.31Å; M37-K49 WeakPolarHBondContact CA-O 3.22Å; M37-M50 HydrophobicContact CE-CG 4.28Å; M37-M50 HydrophobicContact CE-SD 4.27Å; M37-M50 HydrophobicContact CG-CG 4.33Å; M37-R104 PolarHBondContact SD-NE 2.96Å; M37-L111 HydrophobicContact SD-CD2 4.4Å; M37-Y126 HydrophobicContact CB-CE1 4.44Å; M37-Y126 HydrophobicContact CE-CE1 4.33Å; M37-Y126 HydrophobicContact CE-CE2 4.4Å
38I95.6Very high86Confident53 Ų5365.5 Ų65.527%0.27232%0.324SS..EExtended strand (participates in β ladder)trans-118.6127.6169.3-53.9172.3000106.4G6 T7 K49 I51G6-I38 WeakPolarHBondContact O-CA 3.27Å; T7-I38 HydrophobicContact CG2-CG1 4.16Å; I38-K49 HydrophobicContact CB-CB 4.17Å; I38-K49 HydrophobicContact CD1-CD 4.39Å; I38-K49 PolarHBondContact N-O 2.91Å; I38-K49 PolarHBondContact O-N 2.76Å; I38-I51 HydrophobicContact CD1-CD1 3.83Å; I38-I51 HydrophobicContact CG1-CD1 4.34Å
39I95.9Very high87Confident2 Ų265 Ų651%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-115.4124.5177-57.9176.1000107.4V5 G6 M37 V46 R47 L111V5-I39 WeakPolarHBondContact CA-O 2.78Å; G6-I39 PolarHBondContact N-O 2.91Å; G6-I39 PolarHBondContact O-N 2.83Å; M37-I39 HydrophobicContact CG-CG1 4.04Å; M37-I39 HydrophobicContact SD-CD1 3.95Å; M37-I39 HydrophobicContact SD-CG1 4.06Å; I39-V46 HydrophobicContact CG2-CG2 4.08Å; I39-R47 WeakPolarHBondContact CA-O 3.44Å; I39-L111 HydrophobicContact CD1-CD2 4.05Å
40D95.4Very high87.9Confident87 Ų8765 Ų6547%0.46532%0.318SS..EExtended strand (participates in β ladder)trans-120.8149.4171.5-151.9-57.7000109.1V46 R47D40-V46 WeakPolarHBondContact O-CA 3.31Å; D40-V46 WeakPolarHBondContact O-CG2 3.49Å; D40-R47 HydrophobicContact CB-CB 4.21Å; D40-R47 PolarHBondContact N-O 2.77Å; D40-R47 PolarHBondContact O-N 2.85Å
41L93.6Very high88.5Confident53 Ų5365.6 Ų65.628%0.27732%0.321SS..EExtended strand (participates in β ladder)trans-138.5115.4-176.6-163.1112.7000108.4A2 V5 E45 V46 L63 I83A2-L41 HydrophobicContact CB-CD2 4.44Å; V5-L41 HydrophobicContact CG2-CB 3.64Å; L41-E45 WeakPolarHBondContact CA-O 3.06Å; L41-V46 HydrophobicContact CD1-CB 4.07Å; L41-V46 HydrophobicContact CD1-CG2 4.13Å; L41-L63 HydrophobicContact CD1-CD1 4.43Å; L41-I83 HydrophobicContact CD1-CD1 3.85Å; L41-I83 HydrophobicContact CD1-CG1 3.93Å
42D90.1Very high89Confident113 Ų11362.6 Ų62.660%0.60431%0.305SS*.EExtended strand (participates in β ladder)trans-122.6111.1-179.5-173.619.6000109.8N44 E45D42-N44 PolarHBondContact O-N 2.7Å; D42-E45 PolarHBondContact N-O 2.85Å; D42-E45 PolarHBondContact O-N 2.78Å
43D87.1Confident89.6Confident160 Ų16058.4 Ų58.486%0.85631%0.307SS*.THydrogen-bonded Turntrans42-85.5-173.5-81.2-20000114.7
44N91.7Very high90.2Very high85 Ų8563.6 Ų63.646%0.45534%0.336SS..THydrogen-bonded Turntrans-119.511.2-178.1-154.951.7000113.9D42 L63D42-N44 PolarHBondContact O-N 2.7Å; N44-L63 WeakPolarHBondContact O-CB 3.13Å; N44-L63 WeakPolarHBondContact O-CG 3.43Å; N44-L63 PolarHBondContact O-N 2.8Å
45E94.3Very high90.4Very high91 Ų9163.5 Ų63.543%0.42534%0.337SS..EExtended strand (participates in β ladder)trans-115.3138.3176.2-170.6177.9114.400110L41 D42 S60 F61L41-E45 WeakPolarHBondContact CA-O 3.06Å; D42-E45 PolarHBondContact N-O 2.85Å; D42-E45 PolarHBondContact O-N 2.78Å; E45-S60 WeakPolarHBondContact OE1-CB 3.37Å; E45-S60 PolarHBondContact OE1-OG 2.74Å; E45-F61 WeakPolarHBondContact CA-O 3.28Å
46V95Very high90.5Very high0 Ų068.2 Ų68.20%036%0.357CS..EExtended strand (participates in β ladder)trans-113.9128.2167.762.40000109.4I39 D40 L41 I48 S60 F61 L63 V81 M89I39-V46 HydrophobicContact CG2-CG2 4.08Å; D40-V46 WeakPolarHBondContact O-CA 3.31Å; D40-V46 WeakPolarHBondContact O-CG2 3.49Å; L41-V46 HydrophobicContact CD1-CB 4.07Å; L41-V46 HydrophobicContact CD1-CG2 4.13Å; V46-I48 HydrophobicContact CG2-CG1 4.14Å; V46-S60 CarbonylContact O-C 3.42Å; V46-S60 WeakPolarHBondContact O-CA 3.48Å; V46-F61 HydrophobicContact CG1-CB 3.91Å; V46-F61 PolarHBondContact N-O 3.24Å; V46-F61 PolarHBondContact O-N 2.99Å; V46-L63 HydrophobicContact CB-CD2 4.01Å; V46-L63 HydrophobicContact CG1-CD2 3.61Å; V46-V81 HydrophobicContact CG1-CB 4.08Å; V46-V81 HydrophobicContact CG1-CG1 3.66Å; V46-M89 HydrophobicContact CG2-SD 3.97Å
47R95.4Very high90.3Very high121 Ų12167.6 Ų67.646%0.45735%0.353SS..EExtended strand (participates in β ladder)trans-104.8123.8173.9-173-178.6179.61784.4109.2I39 D40 D58 Q59I39-R47 WeakPolarHBondContact CA-O 3.44Å; D40-R47 HydrophobicContact CB-CB 4.21Å; D40-R47 PolarHBondContact N-O 2.77Å; D40-R47 PolarHBondContact O-N 2.85Å; R47-D58 WeakPolarHBondContact CG-OD1 3.13Å; R47-D58 IonicContact CZ-OD1 3.09Å; R47-D58 IonicContact CZ-OD2 3.7Å; R47-D58 IonicContact NE-OD1 2.74Å; R47-D58 PolarHBondContact NE-OD1 2.87Å; R47-D58 IonicContact NE-OD2 3.64Å; R47-D58 PolarHBondContact NE-OD2 2.83Å; R47-D58 IonicContact NH2-OD1 2.88Å; R47-D58 IonicContact NH2-OD2 2.96Å; R47-D58 PolarHBondContact NH2-OD2 2.81Å; R47-Q59 WeakPolarHBondContact CA-O 3.46Å
48I94.1Very high90.2Very high3 Ų370.3 Ų70.32%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-116.6111.4177.8-55.4174.2000107.3M37 V46 M50 Q59 F61 M89M37-I48 HydrophobicContact CG-CG2 4.14Å; M37-I48 HydrophobicContact SD-CG2 4.17Å; V46-I48 HydrophobicContact CG2-CG1 4.14Å; I48-M50 HydrophobicContact CG2-CG 4.32Å; I48-Q59 PolarHBondContact N-O 2.79Å; I48-Q59 PolarHBondContact O-N 2.8Å; I48-F61 HydrophobicContact CD1-CD2 4.33Å; I48-F61 HydrophobicContact CD1-CE2 4.23Å; I48-M89 HydrophobicContact CD1-CE 3.52Å; I48-M89 HydrophobicContact CD1-SD 4.13Å; I48-M89 HydrophobicContact CG1-CE 4.39Å
49K93.4Very high90Very high44 Ų4469.2 Ų69.219%0.19136%0.362CS..EExtended strand (participates in β ladder)trans-103.9118.1173-163.3-176.2-158.4-157.30109.7M37 I38 E56 L57 D58M37-K49 CarbonylContact C-O 3.5Å; M37-K49 VanDerWaalsContact CA-O 3.31Å; M37-K49 WeakPolarHBondContact CA-O 3.22Å; I38-K49 HydrophobicContact CB-CB 4.17Å; I38-K49 HydrophobicContact CD1-CD 4.39Å; I38-K49 PolarHBondContact N-O 2.91Å; I38-K49 PolarHBondContact O-N 2.76Å; K49-E56 WeakPolarHBondContact CE-OE2 3.42Å; K49-E56 IonicContact NZ-OE1 3.86Å; K49-E56 PolarHBondContact NZ-OE1 2.77Å; K49-E56 IonicContact NZ-OE2 3.31Å; K49-E56 PolarHBondContact NZ-OE2 2.82Å; K49-L57 CarbonylContact C-O 3.52Å; K49-L57 WeakPolarHBondContact CA-O 3.41Å; K49-D58 WeakPolarHBondContact CE-OD2 3.41Å; K49-D58 HydrophobicContact CG-CB 4.1Å
50M90.6Very high89.9Confident23 Ų2371.8 Ų71.811%0.11338%0.38CS..EExtended strand (participates in β ladder)trans-103.8126.8174-73.9-178.6-78.200109.6N36 M37 I48 E56 L57 F72N36-M50 WeakPolarHBondContact O-CA 3.43Å; M37-M50 HydrophobicContact CE-CG 4.28Å; M37-M50 HydrophobicContact CE-SD 4.27Å; M37-M50 HydrophobicContact CG-CG 4.33Å; I48-M50 HydrophobicContact CG2-CG 4.32Å; M50-E56 WeakPolarHBondContact O-CA 3.48Å; M50-L57 HydrophobicContact CE-CD2 4.33Å; M50-L57 PolarHBondContact N-O 2.8Å; M50-L57 PolarHBondContact O-N 2.91Å; M50-F72 HydrophobicContact CB-CE2 3.84Å; M50-F72 HydrophobicContact CB-CZ 3.75Å; M50-F72 HydrophobicContact CE-CD2 4.15Å; M50-F72 HydrophobicContact CE-CE2 3.43Å; M50-F72 VanDerWaalsContact CE-CE2 3.43Å; M50-F72 HydrophobicContact CE-CZ 4.33Å; M50-F72 HydrophobicContact CG-CE2 4.33Å; M50-F72 HydrophobicContact SD-CD2 4.49Å; M50-F72 HydrophobicContact SD-CE2 3.65Å
51I88.7Confident89.9Confident39 Ų3968 Ų6820%0.236%0.359CS..EExtended strand (participates in β ladder)trans-113.4120.4-177.3-55.5170.9000108.2S35 N36 I38 E56S35-I51 CarbonylContact C-O 3.49Å; S35-I51 VanDerWaalsContact CA-O 3.25Å; S35-I51 WeakPolarHBondContact CA-O 3.39Å; N36-I51 HydrophobicContact CB-CB 4.39Å; N36-I51 PolarHBondContact N-O 2.84Å; N36-I51 PolarHBondContact O-N 2.81Å; I38-I51 HydrophobicContact CD1-CD1 3.83Å; I38-I51 HydrophobicContact CG1-CD1 4.34Å; I51-E56 HydrophobicContact CG1-CG 4.29Å; I51-E56 HydrophobicContact CG2-CG 4.42Å
52I83.1Confident90Very high14 Ų1469.9 Ų69.97%0.07237%0.367CS..EExtended strand (participates in β ladder)trans-128.7100.5-173.5-66.6172.2000108.9M33 D54 E55 F72M33-I52 HydrophobicContact CB-CB 4.29Å; M33-I52 HydrophobicContact CB-CD1 3.93Å; M33-I52 HydrophobicContact CB-CG1 3.99Å; M33-I52 HydrophobicContact CB-CG2 3.38Å; M33-I52 HydrophobicContact CE-CG2 3.93Å; M33-I52 HydrophobicContact CG-CD1 4.31Å; M33-I52 HydrophobicContact CG-CG2 3.4Å; M33-I52 VanDerWaalsContact CG-CG2 3.4Å; M33-I52 HydrophobicContact SD-CD1 3.7Å; M33-I52 HydrophobicContact SD-CG2 3.73Å; I52-D54 PolarHBondContact O-N 2.85Å; I52-E55 PolarHBondContact N-O 2.81Å; I52-E55 PolarHBondContact O-N 2.78Å; I52-F72 HydrophobicContact CD1-CD1 3.95Å; I52-F72 HydrophobicContact CD1-CD2 4.45Å; I52-F72 HydrophobicContact CD1-CE1 3.4Å; I52-F72 VanDerWaalsContact CD1-CE1 3.4Å; I52-F72 HydrophobicContact CD1-CE2 3.92Å; I52-F72 HydrophobicContact CD1-CG 4.44Å; I52-F72 HydrophobicContact CD1-CZ 3.36Å; I52-F72 HydrophobicContact CG1-CZ 4.41Å
53G81Confident90.3Very high69 Ų6966 Ų6671%0.71135%0.346SS*.THydrogen-bonded Turntrans57.4-112.1-172.400000110.3
54D80.2Confident90.7Very high171 Ų17160.7 Ų60.791%0.91433%0.329SS*.THydrogen-bonded Turntrans-100.7-5.2177.1-58-46.2000113.5I52I52-D54 PolarHBondContact O-N 2.85Å
55E83.1Confident90.8Very high132 Ų13261.1 Ų61.162%0.61733%0.328SS*.EExtended strand (participates in β ladder)trans-93141.8179.3-62.8-174.7111.600111I52I52-E55 PolarHBondContact N-O 2.81Å; I52-E55 PolarHBondContact O-N 2.78Å
56E87.5Confident90.9Very high116 Ų11660.9 Ų60.954%0.54233%0.327SS..EExtended strand (participates in β ladder)trans-125.8132176-57.8-171.4133.400109.7K49 M50 I51K49-E56 WeakPolarHBondContact CE-OE2 3.42Å; K49-E56 IonicContact NZ-OE1 3.86Å; K49-E56 PolarHBondContact NZ-OE1 2.77Å; K49-E56 IonicContact NZ-OE2 3.31Å; K49-E56 PolarHBondContact NZ-OE2 2.82Å; M50-E56 WeakPolarHBondContact O-CA 3.48Å; I51-E56 HydrophobicContact CG1-CG 4.29Å; I51-E56 HydrophobicContact CG2-CG 4.42Å
57L86.9Confident90.9Very high41 Ų4162.9 Ų62.922%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-112.1120.8166.6-175.964.5000108K49 M50 Q59 F72K49-L57 CarbonylContact C-O 3.52Å; K49-L57 WeakPolarHBondContact CA-O 3.41Å; M50-L57 HydrophobicContact CE-CD2 4.33Å; M50-L57 PolarHBondContact N-O 2.8Å; M50-L57 PolarHBondContact O-N 2.91Å; L57-Q59 HydrophobicContact CD1-CG 4.23Å; L57-Q59 HydrophobicContact CG-CG 4.08Å; L57-F72 HydrophobicContact CB-CE1 3.55Å; L57-F72 HydrophobicContact CB-CE2 4.14Å; L57-F72 HydrophobicContact CB-CZ 3.28Å; L57-F72 HydrophobicContact CD2-CD1 4.06Å; L57-F72 HydrophobicContact CD2-CD2 3.85Å; L57-F72 HydrophobicContact CD2-CE1 3.71Å; L57-F72 HydrophobicContact CD2-CE2 3.51Å; L57-F72 HydrophobicContact CD2-CG 4.13Å; L57-F72 HydrophobicContact CD2-CZ 3.43Å; L57-F72 VanDerWaalsContact CD2-CZ 3.43Å; L57-F72 HydrophobicContact CG-CE1 4.24Å; L57-F72 HydrophobicContact CG-CE2 4.46Å; L57-F72 HydrophobicContact CG-CZ 3.99Å
58D91.1Very high90.8Very high60 Ų6064.5 Ų64.532%0.32135%0.352SS..EExtended strand (participates in β ladder)trans-122.1114.3-175.5-160.2-30.4000108.9R47 K49R47-D58 WeakPolarHBondContact CG-OD1 3.13Å; R47-D58 IonicContact CZ-OD1 3.09Å; R47-D58 IonicContact CZ-OD2 3.7Å; R47-D58 IonicContact NE-OD1 2.74Å; R47-D58 PolarHBondContact NE-OD1 2.87Å; R47-D58 IonicContact NE-OD2 3.64Å; R47-D58 PolarHBondContact NE-OD2 2.83Å; R47-D58 IonicContact NH2-OD1 2.88Å; R47-D58 IonicContact NH2-OD2 2.96Å; R47-D58 PolarHBondContact NH2-OD2 2.81Å; K49-D58 WeakPolarHBondContact CE-OD2 3.41Å; K49-D58 HydrophobicContact CG-CB 4.1Å
59Q91.8Very high90.7Very high30 Ų3064.7 Ų64.714%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-133.5131-173.9-67.6178.5-65.200110.6R47 I48 L57 F61 L70R47-Q59 WeakPolarHBondContact CA-O 3.46Å; I48-Q59 PolarHBondContact N-O 2.79Å; I48-Q59 PolarHBondContact O-N 2.8Å; L57-Q59 HydrophobicContact CD1-CG 4.23Å; L57-Q59 HydrophobicContact CG-CG 4.08Å; Q59-F61 HydrophobicContact CB-CD2 4.48Å; Q59-F61 HydrophobicContact CB-CE2 3.59Å; Q59-F61 HydrophobicContact CB-CZ 3.87Å; Q59-L70 PolarHBondContact NE2-O 3.16Å
60S94.2Very high90.5Very high56 Ų5667.5 Ų67.539%0.39237%0.369SS..EExtended strand (participates in β ladder)trans-103.9141172.2-78.70000110.2E45 V46E45-S60 WeakPolarHBondContact OE1-CB 3.37Å; E45-S60 PolarHBondContact OE1-OG 2.74Å; V46-S60 CarbonylContact O-C 3.42Å; V46-S60 WeakPolarHBondContact O-CA 3.48Å
61F94.9Very high90.2Very high6 Ų666.8 Ų66.83%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-131.2127.3178.8-57.8-94.3000109.4E45 V46 I48 Q59 V67 E69 A79 V81 H91E45-F61 WeakPolarHBondContact CA-O 3.28Å; V46-F61 HydrophobicContact CG1-CB 3.91Å; V46-F61 PolarHBondContact N-O 3.24Å; V46-F61 PolarHBondContact O-N 2.99Å; I48-F61 HydrophobicContact CD1-CD2 4.33Å; I48-F61 HydrophobicContact CD1-CE2 4.23Å; Q59-F61 HydrophobicContact CB-CD2 4.48Å; Q59-F61 HydrophobicContact CB-CE2 3.59Å; Q59-F61 HydrophobicContact CB-CZ 3.87Å; F61-V67 HydrophobicContact CD1-CG2 3.58Å; F61-V67 HydrophobicContact CE1-CG2 3.93Å; F61-E69 HydrophobicContact CE1-CB 4.35Å; F61-E69 HydrophobicContact CE1-CG 4.2Å; F61-E69 HydrophobicContact CZ-CG 4.09Å; F61-A79 HydrophobicContact CE1-CB 3.99Å; F61-V81 HydrophobicContact CB-CB 4.05Å; F61-V81 HydrophobicContact CB-CG2 3.75Å; F61-V81 HydrophobicContact CD1-CG2 3.71Å; F61-V81 HydrophobicContact CD2-CG2 3.99Å; F61-V81 HydrophobicContact CE1-CG2 4.3Å; F61-V81 HydrophobicContact CG-CB 4.38Å; F61-V81 HydrophobicContact CG-CG2 3.54Å; F61-H91 AromaticContact CZ-CE1 3.91Å
62E95.8Very high89.7Confident94 Ų9468.5 Ų68.544%0.43937%0.373SS..EExtended strand (participates in β ladder)trans-73.9126.7167.4-170.1169.7-178.800109.1G64 Q65E62-G64 PolarHBondContact O-N 2.88Å; E62-Q65 HydrophobicContact CB-CB 4.11Å; E62-Q65 HydrophobicContact CG-CB 4.39Å; E62-Q65 PolarHBondContact O-N 2.79Å; E62-Q65 VanDerWaalsContact O-N 3.15Å; E62-Q65 PolarHBondContact OE2-OE1 2.8Å; E62-Q65 VanDerWaalsContact OE2-OE1 3.09Å
63L95.4Very high89.5Confident32 Ų3269.5 Ų69.517%0.16838%0.378CS..THydrogen-bonded Turntrans-64.6130.1-172.2-66.9178.6000111.1L41 N44 V46 Q65 V81 I83L41-L63 HydrophobicContact CD1-CD1 4.43Å; N44-L63 WeakPolarHBondContact O-CB 3.13Å; N44-L63 WeakPolarHBondContact O-CG 3.43Å; N44-L63 PolarHBondContact O-N 2.8Å; V46-L63 HydrophobicContact CB-CD2 4.01Å; V46-L63 HydrophobicContact CG1-CD2 3.61Å; L63-Q65 PolarHBondContact O-N 2.74Å; L63-V81 WeakPolarHBondContact CA-O 3.41Å; L63-V81 HydrophobicContact CD2-CG1 4.31Å; L63-I83 HydrophobicContact CD1-CG1 3.85Å; L63-I83 HydrophobicContact CD2-CD1 4.46Å; L63-I83 HydrophobicContact CD2-CG1 3.77Å; L63-I83 HydrophobicContact CG-CG1 4.49Å
64G95.5Very high89.6Confident48 Ų4869 Ų6950%0.49537%0.373SS..THydrogen-bonded Turntrans76.13-178.800000114.8E62 I80 V81E62-G64 PolarHBondContact O-N 2.88Å; G64-I80 WeakPolarHBondContact O-CD1 3.46Å; G64-V81 PolarHBondContact N-O 3.18Å
65Q95.9Very high90Very high94 Ų9462.3 Ų62.344%0.43934%0.335SS..  trans-104.8135.8177.6-173162.4-34.200111.4E62 L63E62-Q65 HydrophobicContact CB-CB 4.11Å; E62-Q65 HydrophobicContact CG-CB 4.39Å; E62-Q65 PolarHBondContact O-N 2.79Å; E62-Q65 VanDerWaalsContact O-N 3.15Å; E62-Q65 PolarHBondContact OE2-OE1 2.8Å; E62-Q65 VanDerWaalsContact OE2-OE1 3.09Å; L63-Q65 PolarHBondContact O-N 2.74Å
66E95.5Very high90.4Very high85 Ų8560.9 Ų60.940%0.39733%0.33SS..EExtended strand (participates in β ladder)trans-82.8127.4177-161172.3150.600109.8R78 A79E66-R78 HydrophobicContact CG-CB 4.03Å; E66-R78 WeakPolarHBondContact OE1-CB 3.36Å; E66-R78 WeakPolarHBondContact OE1-CD 3.4Å; E66-A79 CarbonylContact C-O 3.49Å; E66-A79 VanDerWaalsContact CA-O 3.31Å; E66-A79 WeakPolarHBondContact CA-O 3.5Å
67V94.5Very high90.6Very high43 Ų4355.4 Ų55.426%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-130.6160.8-178.3-59.80000111F61 R78 A79F61-V67 HydrophobicContact CD1-CG2 3.58Å; F61-V67 HydrophobicContact CE1-CG2 3.93Å; V67-R78 CarbonylContact O-C 3.58Å; V67-R78 WeakPolarHBondContact O-CA 3.48Å; V67-A79 HydrophobicContact CG2-CB 4.34Å; V67-A79 PolarHBondContact N-O 3.17Å; V67-A79 PolarHBondContact O-N 3.3Å
68E93.8Very high91Very high154 Ų15460.9 Ų60.972%0.7232%0.322SS*.EExtended strand (participates in β ladder)trans-83.5123.5169.4-69.6-171.412300110.1I76 V77E68-I76 HydrophobicContact CB-CG2 4.21Å; E68-I76 HydrophobicContact CG-CG2 4.44Å; E68-V77 WeakPolarHBondContact CA-O 3.48Å
69E92.3Very high91.3Very high8 Ų858 Ų584%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-114.6128.9178.8-175.4-160.6168.800109.3F61 I76 V77 A79 H91 Q93F61-E69 HydrophobicContact CE1-CB 4.35Å; F61-E69 HydrophobicContact CE1-CG 4.2Å; F61-E69 HydrophobicContact CZ-CG 4.09Å; E69-I76 WeakPolarHBondContact O-CA 3.42Å; E69-V77 HydrophobicContact CB-CG2 3.86Å; E69-V77 PolarHBondContact N-O 2.92Å; E69-V77 PolarHBondContact O-N 3.29Å; E69-A79 HydrophobicContact CB-CB 3.67Å; E69-A79 HydrophobicContact CG-CB 4.46Å; E69-A79 VanDerWaalsContact OE2-CB 3.29Å; E69-A79 WeakPolarHBondContact OE2-CB 3.31Å; E69-H91 IonicContact OE1-CE1 3.39Å; E69-H91 IonicContact OE2-CE1 2.82Å; E69-H91 PolarHBondContact OE2-CE1 3.02Å; E69-H91 IonicContact OE2-NE2 3.64Å; E69-H91 PolarHBondContact OE2-NE2 3.42Å; E69-Q93 PolarHBondContact OE1-NE2 2.96Å; E69-Q93 WeakPolarHBondContact OE2-CG 3.47Å; E69-Q93 PolarHBondContact OE2-NE2 3.46Å
70L88.7Confident91.5Very high102 Ų10258.5 Ų58.553%0.53431%0.31SS..EExtended strand (participates in β ladder)trans-84.4109.6165-179.864.1000108.6Q59 R75 I76Q59-L70 PolarHBondContact NE2-O 3.16Å; L70-R75 WeakPolarHBondContact CA-O 3.48Å; L70-I76 HydrophobicContact CD1-CG1 4.2Å
71T85Confident91.7Very high9 Ų955.8 Ų55.86%0.05529%0.292CS..  trans-78.7159.2179.261.60000111.2D73 G74 R75 V77T71-D73 VanDerWaalsContact CB-OD1 3.25Å; T71-D73 WeakPolarHBondContact CB-OD1 3.39Å; T71-D73 PolarHBondContact O-N 3.06Å; T71-D73 VanDerWaalsContact O-N 3.14Å; T71-D73 PolarHBondContact OG1-OD1 2.86Å; T71-G74 WeakPolarHBondContact O-CA 3.42Å; T71-G74 PolarHBondContact O-N 2.65Å; T71-R75 PolarHBondContact N-O 2.96Å; T71-R75 WeakPolarHBondContact OG1-CB 3.46Å; T71-R75 PolarHBondContact OG1-N 2.75Å; T71-R75 PolarHBondContact OG1-O 2.82Å; T71-V77 HydrophobicContact CG2-CB 4.36Å; T71-V77 HydrophobicContact CG2-CG1 3.79Å; T71-V77 HydrophobicContact CG2-CG2 3.59Å
72F77.9Confident91.7Very high75 Ų7557.9 Ų57.933%0.32931%0.305SS..THydrogen-bonded Turntrans-58.2-26.2178.3-80.3-69.6000115V29 M50 I52 L57 G74V29-F72 HydrophobicContact CB-CB 4.36Å; V29-F72 HydrophobicContact CG1-CB 3.5Å; V29-F72 VanDerWaalsContact CG1-CB 3.5Å; V29-F72 HydrophobicContact CG1-CD2 4.33Å; V29-F72 HydrophobicContact CG1-CG 3.99Å; V29-F72 HydrophobicContact CG2-CB 4Å; M50-F72 HydrophobicContact CB-CE2 3.84Å; M50-F72 HydrophobicContact CB-CZ 3.75Å; M50-F72 HydrophobicContact CE-CD2 4.15Å; M50-F72 HydrophobicContact CE-CE2 3.43Å; M50-F72 VanDerWaalsContact CE-CE2 3.43Å; M50-F72 HydrophobicContact CE-CZ 4.33Å; M50-F72 HydrophobicContact CG-CE2 4.33Å; M50-F72 HydrophobicContact SD-CD2 4.49Å; M50-F72 HydrophobicContact SD-CE2 3.65Å; I52-F72 HydrophobicContact CD1-CD1 3.95Å; I52-F72 HydrophobicContact CD1-CD2 4.45Å; I52-F72 HydrophobicContact CD1-CE1 3.4Å; I52-F72 VanDerWaalsContact CD1-CE1 3.4Å; I52-F72 HydrophobicContact CD1-CE2 3.92Å; I52-F72 HydrophobicContact CD1-CG 4.44Å; I52-F72 HydrophobicContact CD1-CZ 3.36Å; I52-F72 HydrophobicContact CG1-CZ 4.41Å; L57-F72 HydrophobicContact CB-CE1 3.55Å; L57-F72 HydrophobicContact CB-CE2 4.14Å; L57-F72 HydrophobicContact CB-CZ 3.28Å; L57-F72 HydrophobicContact CD2-CD1 4.06Å; L57-F72 HydrophobicContact CD2-CD2 3.85Å; L57-F72 HydrophobicContact CD2-CE1 3.71Å; L57-F72 HydrophobicContact CD2-CE2 3.51Å; L57-F72 HydrophobicContact CD2-CG 4.13Å; L57-F72 HydrophobicContact CD2-CZ 3.43Å; L57-F72 VanDerWaalsContact CD2-CZ 3.43Å; L57-F72 HydrophobicContact CG-CE1 4.24Å; L57-F72 HydrophobicContact CG-CE2 4.46Å; L57-F72 HydrophobicContact CG-CZ 3.99Å; F72-G74 PolarHBondContact O-N 3.28Å
73D79.2Confident91.7Very high35 Ų3556 Ų5619%0.18730%0.297CS..THydrogen-bonded Turntrans-86.313.9174.365.1-33.5000113.2N24 D25 V26 V29 T71 R75N24-D73 WeakPolarHBondContact CB-OD2 3.43Å; D25-D73 HydrophobicContact CB-CB 3.98Å; D25-D73 PolarHBondContact N-OD2 2.87Å; V26-D73 WeakPolarHBondContact CG2-OD2 3.37Å; V29-D73 HydrophobicContact CG2-CB 4.18Å; T71-D73 VanDerWaalsContact CB-OD1 3.25Å; T71-D73 WeakPolarHBondContact CB-OD1 3.39Å; T71-D73 PolarHBondContact O-N 3.06Å; T71-D73 VanDerWaalsContact O-N 3.14Å; T71-D73 PolarHBondContact OG1-OD1 2.86Å; D73-R75 VanDerWaalsContact CG-NE 3.3Å; D73-R75 PolarHBondContact O-N 3.16Å; D73-R75 IonicContact OD1-CZ 2.78Å; D73-R75 IonicContact OD1-NE 3.23Å; D73-R75 PolarHBondContact OD1-NE 2.94Å; D73-R75 IonicContact OD1-NH2 3.16Å; D73-R75 PolarHBondContact OD1-NH2 2.93Å; D73-R75 IonicContact OD2-CZ 2.95Å; D73-R75 VanDerWaalsContact OD2-CZ 3.23Å; D73-R75 IonicContact OD2-NE 2.75Å; D73-R75 PolarHBondContact OD2-NE 2.96Å; D73-R75 IonicContact OD2-NH2 3.02Å; D73-R75 PolarHBondContact OD2-NH2 3.31Å
74G82.4Confident91.6Very high58 Ų5860.1 Ų60.160%0.59832%0.316SS*.SBendtrans80.511.3170.800000115.3T71 F72T71-G74 WeakPolarHBondContact O-CA 3.42Å; T71-G74 PolarHBondContact O-N 2.65Å; F72-G74 PolarHBondContact O-N 3.28Å
75R87.9Confident91.5Very high30 Ų3060.2 Ų60.211%0.11331%0.308CS..  trans-88.6144.2177.5-63.7178-69.8121.410.6110.4N24 V26 L70 T71 D73 V77N24-R75 PolarHBondContact ND2-NH1 3.17Å; N24-R75 PolarHBondContact ND2-NH2 2.86Å; V26-R75 VanDerWaalsContact CG2-NH2 3.29Å; L70-R75 WeakPolarHBondContact CA-O 3.48Å; T71-R75 PolarHBondContact N-O 2.96Å; T71-R75 WeakPolarHBondContact OG1-CB 3.46Å; T71-R75 PolarHBondContact OG1-N 2.75Å; T71-R75 PolarHBondContact OG1-O 2.82Å; D73-R75 VanDerWaalsContact CG-NE 3.3Å; D73-R75 PolarHBondContact O-N 3.16Å; D73-R75 IonicContact OD1-CZ 2.78Å; D73-R75 IonicContact OD1-NE 3.23Å; D73-R75 PolarHBondContact OD1-NE 2.94Å; D73-R75 IonicContact OD1-NH2 3.16Å; D73-R75 PolarHBondContact OD1-NH2 2.93Å; D73-R75 IonicContact OD2-CZ 2.95Å; D73-R75 VanDerWaalsContact OD2-CZ 3.23Å; D73-R75 IonicContact OD2-NE 2.75Å; D73-R75 PolarHBondContact OD2-NE 2.96Å; D73-R75 IonicContact OD2-NH2 3.02Å; D73-R75 PolarHBondContact OD2-NH2 3.31Å; R75-V77 HydrophobicContact CB-CG1 3.98Å
76I91.5Very high91.3Very high102 Ų10259.9 Ų59.952%0.52331%0.31SS..EExtended strand (participates in β ladder)trans-94.4107.4167.2-59.5174.4000106.9E68 E69 L70 H95E68-I76 HydrophobicContact CB-CG2 4.21Å; E68-I76 HydrophobicContact CG-CG2 4.44Å; E69-I76 WeakPolarHBondContact O-CA 3.42Å; L70-I76 HydrophobicContact CD1-CG1 4.2Å; I76-H95 PolarHBondContact O-CD2 3.31Å; I76-H95 VanDerWaalsContact O-CD2 3.22Å
77V93.2Very high91.3Very high2 Ų259.6 Ų59.61%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-108.7157.8-178.5-52.50000110.1E68 E69 T71 R75 A79 Q93 R94 H95E68-V77 WeakPolarHBondContact CA-O 3.48Å; E69-V77 HydrophobicContact CB-CG2 3.86Å; E69-V77 PolarHBondContact N-O 2.92Å; E69-V77 PolarHBondContact O-N 3.29Å; T71-V77 HydrophobicContact CG2-CB 4.36Å; T71-V77 HydrophobicContact CG2-CG1 3.79Å; T71-V77 HydrophobicContact CG2-CG2 3.59Å; R75-V77 HydrophobicContact CB-CG1 3.98Å; V77-A79 HydrophobicContact CG2-CB 4.45Å; V77-Q93 HydrophobicContact CB-CB 4.31Å; V77-Q93 HydrophobicContact CG2-CB 3.88Å; V77-Q93 HydrophobicContact CG2-CG 3.85Å; V77-R94 WeakPolarHBondContact CA-O 3.42Å; V77-R94 WeakPolarHBondContact CB-O 3.41Å; V77-H95 HydrophobicContact CG1-CB 3.9Å
78R95.6Very high91.4Very high155 Ų15560.2 Ų60.259%0.58531%0.307SS*.EExtended strand (participates in β ladder)trans-89116.5164.3-64.4-169.2-177-178.6-3.5109E66 V67 Q93 R94E66-R78 HydrophobicContact CG-CB 4.03Å; E66-R78 WeakPolarHBondContact OE1-CB 3.36Å; E66-R78 WeakPolarHBondContact OE1-CD 3.4Å; V67-R78 CarbonylContact O-C 3.58Å; V67-R78 WeakPolarHBondContact O-CA 3.48Å; R78-Q93 CarbonylContact O-C 3.58Å; R78-Q93 WeakPolarHBondContact O-CA 3.47Å; R78-R94 PolarHBondContact N-O 2.74Å; R78-R94 PolarHBondContact O-N 2.88Å
79A96.1Very high91.5Very high0 Ų052.9 Ų52.90%027%0.272CS..EExtended strand (participates in β ladder)trans-111.5140-174.500000110.6F61 E66 V67 E69 V77 H91 V92F61-A79 HydrophobicContact CE1-CB 3.99Å; E66-A79 CarbonylContact C-O 3.49Å; E66-A79 VanDerWaalsContact CA-O 3.31Å; E66-A79 WeakPolarHBondContact CA-O 3.5Å; V67-A79 HydrophobicContact CG2-CB 4.34Å; V67-A79 PolarHBondContact N-O 3.17Å; V67-A79 PolarHBondContact O-N 3.3Å; E69-A79 HydrophobicContact CB-CB 3.67Å; E69-A79 HydrophobicContact CG-CB 4.46Å; E69-A79 VanDerWaalsContact OE2-CB 3.29Å; E69-A79 WeakPolarHBondContact OE2-CB 3.31Å; V77-A79 HydrophobicContact CG2-CB 4.45Å; A79-H91 WeakPolarHBondContact CB-NE2 3.34Å; A79-V92 CarbonylContact C-O 3.59Å; A79-V92 VanDerWaalsContact CA-O 3.28Å; A79-V92 WeakPolarHBondContact CA-O 3.34Å
80I96.8Very high91.7Very high40 Ų4053.2 Ų53.221%0.20528%0.275CS..EExtended strand (participates in β ladder)trans-133.7133168.3-176.5169.4000108.6G64 T82 H91 V92G64-I80 WeakPolarHBondContact O-CD1 3.46Å; I80-T82 HydrophobicContact CG1-CG2 4.4Å; I80-H91 WeakPolarHBondContact O-CA 3.44Å; I80-V92 HydrophobicContact CG2-CB 3.89Å; I80-V92 PolarHBondContact N-O 2.82Å; I80-V92 PolarHBondContact O-N 2.66Å
81V96.9Very high92.1Very high0 Ų048.6 Ų48.60%025%0.25CS..EExtended strand (participates in β ladder)trans-114.8134.6177.8-171.20000109.5V46 F61 L63 G64 M89 V90 H91V46-V81 HydrophobicContact CG1-CB 4.08Å; V46-V81 HydrophobicContact CG1-CG1 3.66Å; F61-V81 HydrophobicContact CB-CB 4.05Å; F61-V81 HydrophobicContact CB-CG2 3.75Å; F61-V81 HydrophobicContact CD1-CG2 3.71Å; F61-V81 HydrophobicContact CD2-CG2 3.99Å; F61-V81 HydrophobicContact CE1-CG2 4.3Å; F61-V81 HydrophobicContact CG-CB 4.38Å; F61-V81 HydrophobicContact CG-CG2 3.54Å; L63-V81 WeakPolarHBondContact CA-O 3.41Å; L63-V81 HydrophobicContact CD2-CG1 4.31Å; G64-V81 PolarHBondContact N-O 3.18Å; V81-M89 HydrophobicContact CG1-CE 4.5Å; V81-M89 HydrophobicContact CG1-CG 3.65Å; V81-M89 HydrophobicContact CG1-SD 3.64Å; V81-V90 WeakPolarHBondContact CA-O 3.23Å; V81-H91 HydrophobicContact CG2-CB 4.07Å
82T96.1Very high92.6Very high49 Ų4949.2 Ų49.230%0.30125%0.254SS..EExtended strand (participates in β ladder)trans-136.3148.2179.254.10000110I80 M89 V90I80-T82 HydrophobicContact CG1-CG2 4.4Å; T82-M89 CarbonylContact O-C 3.54Å; T82-M89 WeakPolarHBondContact O-CA 3.35Å; T82-M89 WeakPolarHBondContact O-CG 3.41Å; T82-V90 PolarHBondContact N-O 3.16Å; T82-V90 PolarHBondContact O-N 2.87Å; T82-V90 PolarHBondContact OG1-O 3Å
83I94.7Very high93.4Very high54 Ų5446.3 Ų46.328%0.27724%0.241SC..EExtended strand (participates in β ladder)trans-106.9110.2174.4-58.1-67.6000107.1L4 L41 L63 S85 M89L4-I83 HydrophobicContact CD1-CD1 3.81Å; L4-I83 HydrophobicContact CD1-CG2 4.43Å; L41-I83 HydrophobicContact CD1-CD1 3.85Å; L41-I83 HydrophobicContact CD1-CG1 3.93Å; L63-I83 HydrophobicContact CD1-CG1 3.85Å; L63-I83 HydrophobicContact CD2-CD1 4.46Å; L63-I83 HydrophobicContact CD2-CG1 3.77Å; L63-I83 HydrophobicContact CG-CG1 4.49Å; I83-S85 WeakPolarHBondContact CG2-O 3.29Å; I83-M89 HydrophobicContact CD1-CB 3.73Å; I83-M89 HydrophobicContact CD1-CG 3.65Å; I83-M89 HydrophobicContact CD1-SD 4.05Å
84E94Very high94.1Very high120 Ų12050.1 Ų50.156%0.56125%0.253SS*.EExtended strand (participates in β ladder)trans-83-28.3179-68-168.5149.900111.8K88 V90E84-K88 PolarHBondContact N-O 2.88Å; E84-K88 WeakPolarHBondContact OE2-CD 3.35Å; E84-K88 VanDerWaalsContact OE2-CE 3.23Å; E84-K88 WeakPolarHBondContact OE2-CE 3.25Å; E84-K88 IonicContact OE2-NZ 2.71Å; E84-K88 PolarHBondContact OE2-NZ 3.16Å; E84-V90 HydrophobicContact CG-CG2 3.93Å
85S93.7Very high94.5Very high49 Ų4951 Ų5134%0.34324%0.242SC..EExtended strand (participates in β ladder)trans-156.8172.6174.162.80000110.2I83 K87 K88I83-S85 WeakPolarHBondContact CG2-O 3.29Å; S85-K87 PolarHBondContact O-N 2.85Å; S85-K87 PolarHBondContact OG-N 3.22Å; S85-K88 PolarHBondContact N-O 2.97Å; S85-K88 PolarHBondContact O-N 3.27Å; S85-K88 VanDerWaalsContact O-N 3.11Å; S85-K88 VanDerWaalsContact OG-CB 3.27Å; S85-K88 WeakPolarHBondContact OG-CB 3.36Å; S85-K88 PolarHBondContact OG-N 2.97Å; S85-K88 VanDerWaalsContact OG-N 3.16Å
86D91.8Very high94.4Very high88 Ų8853.3 Ų53.347%0.47127%0.274SS..THydrogen-bonded Turntrans-54.1-22.8172.159-20.3000114.1A2 E3 L4A2-D86 CarbonylContact C-O 3.58Å; E3-D86 PolarHBondContact N-O 2.95Å; L4-D86 PolarHBondContact N-O 2.85Å
87K95.5Very high94.1Very high79 Ų7959 Ų5934%0.34330%0.296SS..THydrogen-bonded Turntrans-104.3-14.6179.6-67.4176.9177.4-171.30114.5E3 L4 S85 E105 V106E3-K87 HydrophobicContact CB-CG 4.14Å; E3-K87 HydrophobicContact CG-CG 4.33Å; E3-K87 WeakPolarHBondContact OE1-CE 3.36Å; E3-K87 IonicContact OE1-NZ 3.41Å; E3-K87 PolarHBondContact OE1-NZ 2.88Å; E3-K87 VanDerWaalsContact OE2-CE 3.29Å; E3-K87 WeakPolarHBondContact OE2-CE 3.39Å; E3-K87 IonicContact OE2-NZ 3.92Å; L4-K87 WeakPolarHBondContact CD2-O 3.41Å; S85-K87 PolarHBondContact O-N 2.85Å; S85-K87 PolarHBondContact OG-N 3.22Å; K87-E105 CarbonylContact O-C 3.57Å; K87-E105 VanDerWaalsContact O-CA 3.25Å; K87-E105 WeakPolarHBondContact O-CA 3.41Å; K87-V106 HydrophobicContact CB-CB 4.28Å; K87-V106 HydrophobicContact CG-CB 4.44Å; K87-V106 PolarHBondContact O-N 3.26Å
88K96.1Very high93.8Very high56 Ų5660.3 Ų60.324%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-131.1120.9-166.2-165.6-179.4178.6-153.90112.9E84 S85 T103 R104 E105E84-K88 PolarHBondContact N-O 2.88Å; E84-K88 WeakPolarHBondContact OE2-CD 3.35Å; E84-K88 VanDerWaalsContact OE2-CE 3.23Å; E84-K88 WeakPolarHBondContact OE2-CE 3.25Å; E84-K88 IonicContact OE2-NZ 2.71Å; E84-K88 PolarHBondContact OE2-NZ 3.16Å; S85-K88 PolarHBondContact N-O 2.97Å; S85-K88 PolarHBondContact O-N 3.27Å; S85-K88 VanDerWaalsContact O-N 3.11Å; S85-K88 VanDerWaalsContact OG-CB 3.27Å; S85-K88 WeakPolarHBondContact OG-CB 3.36Å; S85-K88 PolarHBondContact OG-N 2.97Å; S85-K88 VanDerWaalsContact OG-N 3.16Å; K88-T103 HydrophobicContact CD-CG2 4.43Å; K88-T103 VanDerWaalsContact CE-CG2 3.44Å; K88-T103 HydrophobicContact CG-CG2 4.15Å; K88-R104 WeakPolarHBondContact CA-O 3.44Å; K88-E105 HydrophobicContact CB-CG 4.4Å; K88-E105 HydrophobicContact CG-CB 4.37Å; K88-E105 HydrophobicContact CG-CG 4.34Å
89M96.2Very high93.6Very high0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-115.4138.6173.8-177.6178.181.200110.2L4 V46 I48 V81 T82 I83 T103 R104L4-M89 HydrophobicContact CD1-CB 3.92Å; L4-M89 HydrophobicContact CD2-CB 4.14Å; V46-M89 HydrophobicContact CG2-SD 3.97Å; I48-M89 HydrophobicContact CD1-CE 3.52Å; I48-M89 HydrophobicContact CD1-SD 4.13Å; I48-M89 HydrophobicContact CG1-CE 4.39Å; V81-M89 HydrophobicContact CG1-CE 4.5Å; V81-M89 HydrophobicContact CG1-CG 3.65Å; V81-M89 HydrophobicContact CG1-SD 3.64Å; T82-M89 CarbonylContact O-C 3.54Å; T82-M89 WeakPolarHBondContact O-CA 3.35Å; T82-M89 WeakPolarHBondContact O-CG 3.41Å; I83-M89 HydrophobicContact CD1-CB 3.73Å; I83-M89 HydrophobicContact CD1-CG 3.65Å; I83-M89 HydrophobicContact CD1-SD 4.05Å; M89-T103 WeakPolarHBondContact O-CA 3.49Å; M89-R104 HydrophobicContact CB-CB 4.45Å; M89-R104 HydrophobicContact CE-CB 4.36Å; M89-R104 VanDerWaalsContact CE-CD 3.48Å; M89-R104 HydrophobicContact CE-CG 4.08Å; M89-R104 VanDerWaalsContact CE-NH1 3.27Å; M89-R104 PolarHBondContact N-O 2.79Å; M89-R104 PolarHBondContact O-N 2.59Å
90V97.3Very high93.4Very high15 Ų1557.2 Ų57.29%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-120.2122.9175.4-178.10000108.7V81 T82 E84 V92 V101 T103V81-V90 WeakPolarHBondContact CA-O 3.23Å; T82-V90 PolarHBondContact N-O 3.16Å; T82-V90 PolarHBondContact O-N 2.87Å; T82-V90 PolarHBondContact OG1-O 3Å; E84-V90 HydrophobicContact CG-CG2 3.93Å; V90-V92 HydrophobicContact CG1-CG2 3.96Å; V90-V101 HydrophobicContact CG1-CG1 4.04Å; V90-T103 HydrophobicContact CG2-CG2 4.35Å
91H96.4Very high93.3Very high4 Ų456.9 Ų56.92%0.01930%0.296CS..EExtended strand (participates in β ladder)trans-116.5113.1175.5178.1178.7000108.3F61 E69 A79 I80 V81 I102F61-H91 AromaticContact CZ-CE1 3.91Å; E69-H91 IonicContact OE1-CE1 3.39Å; E69-H91 IonicContact OE2-CE1 2.82Å; E69-H91 PolarHBondContact OE2-CE1 3.02Å; E69-H91 IonicContact OE2-NE2 3.64Å; E69-H91 PolarHBondContact OE2-NE2 3.42Å; A79-H91 WeakPolarHBondContact CB-NE2 3.34Å; I80-H91 WeakPolarHBondContact O-CA 3.44Å; V81-H91 HydrophobicContact CG2-CB 4.07Å; H91-I102 HydrophobicContact CB-CB 4.26Å; H91-I102 PolarHBondContact N-O 3.36Å; H91-I102 PolarHBondContact O-N 3.14Å
92V95.7Very high93.2Very high22 Ų2257.7 Ų57.713%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-104.5125.7178.7-176.60000109.7A79 I80 V90 R94 E99 V101A79-V92 CarbonylContact C-O 3.59Å; A79-V92 VanDerWaalsContact CA-O 3.28Å; A79-V92 WeakPolarHBondContact CA-O 3.34Å; I80-V92 HydrophobicContact CG2-CB 3.89Å; I80-V92 PolarHBondContact N-O 2.82Å; I80-V92 PolarHBondContact O-N 2.66Å; V90-V92 HydrophobicContact CG1-CG2 3.96Å; V92-R94 HydrophobicContact CG1-CG 4.34Å; V92-E99 HydrophobicContact CG1-CG 3.72Å; V92-V101 HydrophobicContact CG1-CG2 4.37Å; V92-V101 HydrophobicContact CG2-CG1 4.36Å; V92-V101 HydrophobicContact CG2-CG2 4.33Å
93Q94.5Very high93.2Very high14 Ų1456.8 Ų56.87%0.06530%0.295CS..EExtended strand (participates in β ladder)trans-113125.6176.5-67178.9-1900110.1E69 V77 R78 E99 T100E69-Q93 PolarHBondContact OE1-NE2 2.96Å; E69-Q93 WeakPolarHBondContact OE2-CG 3.47Å; E69-Q93 PolarHBondContact OE2-NE2 3.46Å; V77-Q93 HydrophobicContact CB-CB 4.31Å; V77-Q93 HydrophobicContact CG2-CB 3.88Å; V77-Q93 HydrophobicContact CG2-CG 3.85Å; R78-Q93 CarbonylContact O-C 3.58Å; R78-Q93 WeakPolarHBondContact O-CA 3.47Å; Q93-E99 WeakPolarHBondContact O-CA 3.21Å; Q93-T100 PolarHBondContact N-O 3.27Å; Q93-T100 PolarHBondContact O-N 3.2Å
94R93.4Very high93.3Very high115 Ų11554.6 Ų54.643%0.43428%0.283SS..EExtended strand (participates in β ladder)trans-115.8130.6178.1-66.5177.5178.61491.5110.7V77 R78 V92 E99V77-R94 WeakPolarHBondContact CA-O 3.42Å; V77-R94 WeakPolarHBondContact CB-O 3.41Å; R78-R94 PolarHBondContact N-O 2.74Å; R78-R94 PolarHBondContact O-N 2.88Å; V92-R94 HydrophobicContact CG1-CG 4.34Å; R94-E99 HydrophobicContact CG-CG 4.11Å; R94-E99 IonicContact CZ-OE2 2.97Å; R94-E99 IonicContact NE-OE2 2.66Å; R94-E99 PolarHBondContact NE-OE2 3.07Å; R94-E99 IonicContact NH2-OE2 2.95Å; R94-E99 PolarHBondContact NH2-OE2 3.16Å
95H90.1Very high93.4Very high78 Ų7853.5 Ų53.536%0.36128%0.278SS..EExtended strand (participates in β ladder)trans-139.9102.1178.2-172.1-106.3000110.3I76 V77 F97 T98I76-H95 PolarHBondContact O-CD2 3.31Å; I76-H95 VanDerWaalsContact O-CD2 3.22Å; V77-H95 HydrophobicContact CG1-CB 3.9Å; H95-F97 PolarHBondContact O-N 3.1Å; H95-F97 VanDerWaalsContact O-N 3.16Å; H95-T98 PolarHBondContact N-O 3.27Å; H95-T98 PolarHBondContact O-N 3.14Å
96G87.1Confident93.6Very high77 Ų7751.4 Ų51.479%0.79426%0.263SS*.THydrogen-bonded Turntrans61.2-114.7-174.200000111.5
97F85.1Confident93.8Very high222 Ų22252.7 Ų52.797%0.97427%0.27SS*.THydrogen-bonded Turntrans-97.12.1177.3-59.8-74.6000113.6H95H95-F97 PolarHBondContact O-N 3.1Å; H95-F97 VanDerWaalsContact O-N 3.16Å
98T87.1Confident93.8Very high29 Ų2950.8 Ų50.818%0.17827%0.273CS..EExtended strand (participates in β ladder)trans-102.2135.7-178.7-47.60000109.9H95H95-T98 PolarHBondContact N-O 3.27Å; H95-T98 PolarHBondContact O-N 3.14Å
99E91.4Very high93.8Very high85 Ų8552.7 Ų52.740%0.39729%0.286SS..EExtended strand (participates in β ladder)trans-119.7134.5170.9-173177.183.500109.2V92 Q93 R94 V101V92-E99 HydrophobicContact CG1-CG 3.72Å; Q93-E99 WeakPolarHBondContact O-CA 3.21Å; R94-E99 HydrophobicContact CG-CG 4.11Å; R94-E99 IonicContact CZ-OE2 2.97Å; R94-E99 IonicContact NE-OE2 2.66Å; R94-E99 PolarHBondContact NE-OE2 3.07Å; R94-E99 IonicContact NH2-OE2 2.95Å; R94-E99 PolarHBondContact NH2-OE2 3.16Å; E99-V101 HydrophobicContact CG-CG2 4.24Å
100T91.7Very high93.8Very high5 Ų554.3 Ų54.33%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-119.8125.8170.9-62.80000108.1Q93 I102 I115 K116 S117Q93-T100 PolarHBondContact N-O 3.27Å; Q93-T100 PolarHBondContact O-N 3.2Å; T100-I102 HydrophobicContact CG2-CG1 4.18Å; T100-I115 HydrophobicContact CG2-CG2 3.92Å; T100-K116 CarbonylContact C-O 3.59Å; T100-K116 WeakPolarHBondContact CA-O 3.38Å; T100-S117 PolarHBondContact OG1-OG 2.88Å
101V94.6Very high93.8Very high33 Ų3353.6 Ų53.620%0.229%0.291CS..EExtended strand (participates in β ladder)trans-109.3121.7177.7-177.70000108.4V90 V92 E99 K116V90-V101 HydrophobicContact CG1-CG1 4.04Å; V92-V101 HydrophobicContact CG1-CG2 4.37Å; V92-V101 HydrophobicContact CG2-CG1 4.36Å; V92-V101 HydrophobicContact CG2-CG2 4.33Å; E99-V101 HydrophobicContact CG-CG2 4.24Å; V101-K116 PolarHBondContact N-O 3.36Å; V101-K116 PolarHBondContact O-N 2.95Å
102I94.8Very high93.8Very high18 Ų1855.8 Ų55.89%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-110.9107.6177.7-52.1172.9000107.4H91 T100 T113 T114 I115H91-I102 HydrophobicContact CB-CB 4.26Å; H91-I102 PolarHBondContact N-O 3.36Å; H91-I102 PolarHBondContact O-N 3.14Å; T100-I102 HydrophobicContact CG2-CG1 4.18Å; I102-T113 HydrophobicContact CG2-CG2 3.77Å; I102-T114 CarbonylContact C-O 3.48Å; I102-T114 WeakPolarHBondContact CA-O 3.4Å; I102-I115 HydrophobicContact CG1-CG1 4.36Å; I102-I115 HydrophobicContact CG1-CG2 4.49Å; I102-I115 HydrophobicContact CG2-CG1 4.19Å
103T96.7Very high93.8Very high30 Ų3054.9 Ų54.918%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-101.3130.1176-54.80000109.1K88 M89 V90 T113 T114K88-T103 HydrophobicContact CD-CG2 4.43Å; K88-T103 VanDerWaalsContact CE-CG2 3.44Å; K88-T103 HydrophobicContact CG-CG2 4.15Å; M89-T103 WeakPolarHBondContact O-CA 3.49Å; V90-T103 HydrophobicContact CG2-CG2 4.35Å; T103-T113 CarbonylContact O-C 3.6Å; T103-T113 VanDerWaalsContact O-CA 3.28Å; T103-T113 WeakPolarHBondContact O-CA 2.98Å; T103-T114 PolarHBondContact N-O 2.93Å; T103-T114 PolarHBondContact O-N 3.46Å
104R96.3Very high93.9Very high7 Ų756.3 Ų56.33%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-117121.1174.3-60.4-169.7-175.561-2.6108.5M37 K88 M89 L111 I112 T113M37-R104 PolarHBondContact SD-NE 2.96Å; K88-R104 WeakPolarHBondContact CA-O 3.44Å; M89-R104 HydrophobicContact CB-CB 4.45Å; M89-R104 HydrophobicContact CE-CB 4.36Å; M89-R104 VanDerWaalsContact CE-CD 3.48Å; M89-R104 HydrophobicContact CE-CG 4.08Å; M89-R104 VanDerWaalsContact CE-NH1 3.27Å; M89-R104 PolarHBondContact N-O 2.79Å; M89-R104 PolarHBondContact O-N 2.59Å; R104-L111 HydrophobicContact CB-CD1 4.09Å; R104-I112 WeakPolarHBondContact CA-O 3.49Å; R104-T113 HydrophobicContact CG-CG2 4.11Å
105E96.9Very high93.8Very high97 Ų9751.3 Ų51.345%0.45329%0.289SS..EExtended strand (participates in β ladder)trans-130.2131.7-176.7-168.4167.6166.700110.6K87 K88 I112K87-E105 CarbonylContact O-C 3.57Å; K87-E105 VanDerWaalsContact O-CA 3.25Å; K87-E105 WeakPolarHBondContact O-CA 3.41Å; K88-E105 HydrophobicContact CB-CG 4.4Å; K88-E105 HydrophobicContact CG-CB 4.37Å; K88-E105 HydrophobicContact CG-CG 4.34Å; E105-I112 PolarHBondContact N-O 3.35Å; E105-I112 PolarHBondContact O-N 3.01Å
106V97.3Very high93.9Very high5 Ų552.8 Ų52.83%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-92.8125.2-179.9178.60000110.4E3 L4 W8 K87 G108 T110 L111E3-V106 HydrophobicContact CB-CB 4.33Å; E3-V106 HydrophobicContact CB-CG1 4.08Å; L4-V106 HydrophobicContact CD2-CG2 3.91Å; L4-V106 HydrophobicContact CG-CG2 4.23Å; W8-V106 HydrophobicContact CH2-CG1 3.93Å; W8-V106 HydrophobicContact CH2-CG2 3.87Å; W8-V106 HydrophobicContact CZ2-CG2 3.78Å; K87-V106 HydrophobicContact CB-CB 4.28Å; K87-V106 HydrophobicContact CG-CB 4.44Å; K87-V106 PolarHBondContact O-N 3.26Å; V106-G108 VanDerWaalsContact CG1-O 3.28Å; V106-G108 WeakPolarHBondContact CG1-O 3.32Å; V106-T110 WeakPolarHBondContact CA-O 3.39Å; V106-L111 HydrophobicContact CG2-CD1 3.55Å
107D96Very high94.1Very high116 Ų11649.2 Ų49.262%0.6226%0.257SS*.EExtended strand (participates in β ladder)trans-120.692.3168.7-174.421.2000109.1D109 T110 I112D107-D109 PolarHBondContact O-N 2.69Å; D107-T110 PolarHBondContact N-O 2.94Å; D107-T110 PolarHBondContact O-N 3.2Å; D107-I112 HydrophobicContact CB-CD1 4.34Å
108G95.1Very high94.1Very high39 Ų3944 Ų4440%0.40224%0.235SC..THydrogen-bonded Turntrans62.3-114.5-174.200000112.2V106V106-G108 VanDerWaalsContact CG1-O 3.28Å; V106-G108 WeakPolarHBondContact CG1-O 3.32Å
109D95.9Very high94.2Very high96 Ų9651.2 Ų51.251%0.51327%0.267SS..THydrogen-bonded Turntrans-95.110.1177.2-65-43.4000113.3D107 Q127 R128D107-D109 PolarHBondContact O-N 2.69Å; D109-Q127 VanDerWaalsContact CB-NE2 3.33Å; D109-Q127 PolarHBondContact O-NE2 3.25Å; D109-Q127 VanDerWaalsContact O-NE2 3.11Å; D109-R128 HydrophobicContact CB-CB 4.1Å; D109-R128 PolarHBondContact O-N 2.9Å; D109-R128 IonicContact OD1-NE 3.52Å
110T96.6Very high94.1Very high34 Ų3448.8 Ų48.821%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-110.2128.7176.3-55.80000110.5V106 D107 I112 K125 Y126V106-T110 WeakPolarHBondContact CA-O 3.39Å; D107-T110 PolarHBondContact N-O 2.94Å; D107-T110 PolarHBondContact O-N 3.2Å; T110-I112 HydrophobicContact CG2-CG1 4.04Å; T110-K125 HydrophobicContact CG2-CB 4.19Å; T110-K125 HydrophobicContact CG2-CD 4.31Å; T110-K125 HydrophobicContact CG2-CG 4.45Å; T110-Y126 CarbonylContact C-O 3.54Å; T110-Y126 VanDerWaalsContact CA-O 3.32Å; T110-Y126 WeakPolarHBondContact CA-O 3.31Å
111L97.2Very high94.2Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-98.6118.3166.6-178.676.6000109L4 W8 M37 I39 R104 V106 K125 Y126L4-L111 HydrophobicContact CD2-CD1 4.06Å; W8-L111 HydrophobicContact CB-CD2 4.2Å; W8-L111 HydrophobicContact CD2-CB 3.57Å; W8-L111 HydrophobicContact CD2-CD2 3.87Å; W8-L111 HydrophobicContact CD2-CG 4.26Å; W8-L111 HydrophobicContact CE3-CB 3.35Å; W8-L111 HydrophobicContact CE3-CG 4.49Å; W8-L111 HydrophobicContact CG-CB 4.22Å; W8-L111 HydrophobicContact CG-CD2 3.72Å; W8-L111 HydrophobicContact CH2-CB 3.89Å; W8-L111 HydrophobicContact CZ2-CB 4.11Å; W8-L111 HydrophobicContact CZ2-CD1 4.28Å; W8-L111 HydrophobicContact CZ3-CB 3.53Å; M37-L111 HydrophobicContact SD-CD2 4.4Å; I39-L111 HydrophobicContact CD1-CD2 4.05Å; R104-L111 HydrophobicContact CB-CD1 4.09Å; V106-L111 HydrophobicContact CG2-CD1 3.55Å; L111-K125 CarbonylContact O-C 3.58Å; L111-K125 WeakPolarHBondContact O-CA 3.25Å; L111-Y126 HydrophobicContact CD2-CD2 4.38Å; L111-Y126 PolarHBondContact N-O 3.33Å; L111-Y126 PolarHBondContact O-N 2.71Å
112I96.9Very high94Very high49 Ų4950.7 Ų50.725%0.25126%0.264SS..EExtended strand (participates in β ladder)trans-98.7112178.3-53.8175.3000108.1R104 E105 D107 T110 T123R104-I112 WeakPolarHBondContact CA-O 3.49Å; E105-I112 PolarHBondContact N-O 3.35Å; E105-I112 PolarHBondContact O-N 3.01Å; D107-I112 HydrophobicContact CB-CD1 4.34Å; T110-I112 HydrophobicContact CG2-CG1 4.04Å; I112-T123 HydrophobicContact CG2-CG2 3.69Å
113T95.6Very high94Very high3 Ų351.8 Ų51.82%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-101.1113.9175-60.70000109.8I102 T103 R104 I115 T123 I124 Y126I102-T113 HydrophobicContact CG2-CG2 3.77Å; T103-T113 CarbonylContact O-C 3.6Å; T103-T113 VanDerWaalsContact O-CA 3.28Å; T103-T113 WeakPolarHBondContact O-CA 2.98Å; R104-T113 HydrophobicContact CG-CG2 4.11Å; T113-I115 HydrophobicContact CG2-CG1 4.16Å; T113-T123 CarbonylContact O-C 3.55Å; T113-T123 WeakPolarHBondContact O-CA 3.47Å; T113-I124 PolarHBondContact N-O 3.43Å; T113-I124 PolarHBondContact O-N 3.44Å; T113-Y126 WeakPolarHBondContact OG1-CE2 3.26Å
114T95Very high93.8Very high44 Ų4450.7 Ų50.727%0.2726%0.264SS..EExtended strand (participates in β ladder)trans-103123.9174.8-56.60000109.5I102 T103 I121 A122I102-T114 CarbonylContact C-O 3.48Å; I102-T114 WeakPolarHBondContact CA-O 3.4Å; T103-T114 PolarHBondContact N-O 2.93Å; T103-T114 PolarHBondContact O-N 3.46Å; T114-I121 HydrophobicContact CG2-CG2 3.72Å; T114-A122 WeakPolarHBondContact CA-O 3.4Å
115I92.7Very high93.8Very high11 Ų1153.6 Ų53.66%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-111.1115.4178.3-58.7169.7000107.3L19 I30 T100 I102 T113 I121 A122 I124L19-I115 HydrophobicContact CD1-CB 4.31Å; L19-I115 HydrophobicContact CD1-CD1 4.45Å; L19-I115 HydrophobicContact CD1-CG2 4.01Å; L19-I115 HydrophobicContact CD2-CG2 4.07Å; I30-I115 HydrophobicContact CD1-CD1 3.34Å; I30-I115 HydrophobicContact CG1-CD1 4.39Å; T100-I115 HydrophobicContact CG2-CG2 3.92Å; I102-I115 HydrophobicContact CG1-CG1 4.36Å; I102-I115 HydrophobicContact CG1-CG2 4.49Å; I102-I115 HydrophobicContact CG2-CG1 4.19Å; T113-I115 HydrophobicContact CG2-CG1 4.16Å; I115-I121 WeakPolarHBondContact O-CA 3.08Å; I115-A122 PolarHBondContact N-O 2.85Å; I115-A122 PolarHBondContact O-N 3.26Å; I115-I124 HydrophobicContact CD1-CD1 3.81Å
116K92.6Very high93.7Very high108 Ų10849.3 Ų49.347%0.4726%0.257SS..EExtended strand (participates in β ladder)trans-114.3122.9177.1179.7178.3179.7-173.60109.3T100 V101 H120 I121T100-K116 CarbonylContact C-O 3.59Å; T100-K116 WeakPolarHBondContact CA-O 3.38Å; V101-K116 PolarHBondContact N-O 3.36Å; V101-K116 PolarHBondContact O-N 2.95Å; K116-H120 WeakPolarHBondContact CA-O 3.4Å; K116-I121 HydrophobicContact CB-CG1 4.29Å; K116-I121 HydrophobicContact CG-CG1 4.03Å
117S89.8Confident93.7Very high2 Ų252.6 Ų52.61%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-131.8117.7169.8-169.60000108.7T100 Q119 H120T100-S117 PolarHBondContact OG1-OG 2.88Å; S117-Q119 PolarHBondContact O-N 2.68Å; S117-Q119 VanDerWaalsContact O-N 3.17Å; S117-H120 PolarHBondContact N-O 3.27Å; S117-H120 PolarHBondContact O-N 3.29Å
118Q86.7Confident93.7Very high113 Ų11350.2 Ų50.253%0.52825%0.254SS..THydrogen-bonded Turntrans53.8-115.2-170-55.6177.655.200112.1
119Q87.8Confident93.6Very high181 Ų18154.9 Ų54.985%0.84628%0.275SS*.THydrogen-bonded Turntrans-97-4.2177.7-64.6-174.9-26.400113.3S117S117-Q119 PolarHBondContact O-N 2.68Å; S117-Q119 VanDerWaalsContact O-N 3.17Å
120H90.5Very high93.5Very high33 Ų3352.9 Ų52.915%0.15326%0.263CS..EExtended strand (participates in β ladder)trans-94.5130.6-175.9-57.5-66.2000110.2E18 T22 K116 S117E18-H120 HydrophobicContact CB-CB 4.07Å; E18-H120 WeakPolarHBondContact O-CB 3.26Å; E18-H120 VanDerWaalsContact O-CG 3.31Å; E18-H120 PolarHBondContact O-ND1 2.53Å; E18-H120 IonicContact OE2-CE1 3.66Å; E18-H120 IonicContact OE2-ND1 3.33Å; E18-H120 PolarHBondContact OE2-ND1 3.49Å; T22-H120 HydrophobicContact CG2-CB 4.11Å; K116-H120 WeakPolarHBondContact CA-O 3.4Å; S117-H120 PolarHBondContact N-O 3.27Å; S117-H120 PolarHBondContact O-N 3.29Å
121I92.4Very high93.4Very high78 Ų7853.8 Ų53.840%0.427%0.266SS..EExtended strand (participates in β ladder)trans-129.7127.9-177.7-57.6174.7000108.4N15 T114 I115 K116N15-I121 WeakPolarHBondContact CB-O 3.38Å; T114-I121 HydrophobicContact CG2-CG2 3.72Å; I115-I121 WeakPolarHBondContact O-CA 3.08Å; K116-I121 HydrophobicContact CB-CG1 4.29Å; K116-I121 HydrophobicContact CG-CG1 4.03Å
122A92.2Very high93.1Very high1 Ų156.8 Ų56.81%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-121.2152.3168.500000110.2N15 V16 L19 T114 I115N15-A122 WeakPolarHBondContact O-CB 3.28Å; V16-A122 HydrophobicContact CG1-CB 4.09Å; L19-A122 HydrophobicContact CD1-CB 3.64Å; L19-A122 HydrophobicContact CD2-CB 4.21Å; L19-A122 HydrophobicContact CG-CB 3.71Å; T114-A122 WeakPolarHBondContact CA-O 3.4Å; I115-A122 PolarHBondContact N-O 2.85Å; I115-A122 PolarHBondContact O-N 3.26Å
123T93.8Very high92.9Very high41 Ų4157.3 Ų57.325%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-124.8136.4175.8-56.10000109.6S13 S14 I112 T113S13-T123 CarbonylContact C-O 3.51Å; S13-T123 VanDerWaalsContact CA-O 3.25Å; S13-T123 WeakPolarHBondContact CA-O 3.25Å; S14-T123 PolarHBondContact N-O 2.89Å; S14-T123 PolarHBondContact O-N 3.33Å; I112-T123 HydrophobicContact CG2-CG2 3.69Å; T113-T123 CarbonylContact O-C 3.55Å; T113-T123 WeakPolarHBondContact O-CA 3.47Å
124I93Very high92.7Very high6 Ų660.7 Ų60.73%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-124.8129.6174.3-49.5168.7000107Y10 I30 T113 I115 Y126Y10-I124 HydrophobicContact CD2-CG2 3.95Å; Y10-I124 HydrophobicContact CE2-CG2 3.91Å; I30-I124 HydrophobicContact CD1-CD1 4.31Å; I30-I124 HydrophobicContact CG1-CD1 4.29Å; I30-I124 HydrophobicContact CG2-CD1 3.51Å; I30-I124 HydrophobicContact CG2-CG1 4.16Å; T113-I124 PolarHBondContact N-O 3.43Å; T113-I124 PolarHBondContact O-N 3.44Å; I115-I124 HydrophobicContact CD1-CD1 3.81Å; I124-Y126 HydrophobicContact CB-CE2 3.84Å; I124-Y126 HydrophobicContact CG2-CD2 4.13Å; I124-Y126 HydrophobicContact CG2-CE1 4.41Å; I124-Y126 HydrophobicContact CG2-CE2 3.42Å; I124-Y126 VanDerWaalsContact CG2-CE2 3.42Å
125K95.3Very high92.6Very high69 Ų6961.8 Ų61.830%0.330%0.301SS..EExtended strand (participates in β ladder)trans-105.2140173.4-61-172.4-163157.20109.9L11 E12 T110 L111L11-K125 HydrophobicContact CB-CB 4.47Å; L11-K125 WeakPolarHBondContact CB-O 3.43Å; L11-K125 HydrophobicContact CD2-CB 4.47Å; L11-K125 PolarHBondContact N-O 2.81Å; E12-K125 HydrophobicContact CG-CB 4Å; E12-K125 HydrophobicContact CG-CD 4.07Å; E12-K125 HydrophobicContact CG-CG 4.26Å; E12-K125 PolarHBondContact N-O 2.87Å; E12-K125 PolarHBondContact O-N 3.14Å; E12-K125 WeakPolarHBondContact OE1-CD 3.47Å; E12-K125 WeakPolarHBondContact OE1-CE 3.48Å; E12-K125 IonicContact OE1-NZ 3.65Å; E12-K125 PolarHBondContact OE1-NZ 2.99Å; T110-K125 HydrophobicContact CG2-CB 4.19Å; T110-K125 HydrophobicContact CG2-CD 4.31Å; T110-K125 HydrophobicContact CG2-CG 4.45Å; L111-K125 CarbonylContact O-C 3.58Å; L111-K125 WeakPolarHBondContact O-CA 3.25Å
126Y95.8Very high92.6Very high7 Ų765.4 Ų65.43%0.02732%0.318CS..EExtended strand (participates in β ladder)trans-124.2148.3173.7-54.1-107.8000109.4W8 K9 S35 M37 T110 L111 T113 I124W8-Y126 HydrophobicContact CB-CD1 4.38Å; W8-Y126 HydrophobicContact CB-CG 4.3Å; K9-Y126 CarbonylContact O-C 3.55Å; K9-Y126 WeakPolarHBondContact O-CA 3.45Å; K9-Y126 WeakPolarHBondContact O-CB 3.18Å; S35-Y126 VanDerWaalsContact O-CE1 3.23Å; S35-Y126 WeakPolarHBondContact O-CE1 3.26Å; M37-Y126 HydrophobicContact CB-CE1 4.44Å; M37-Y126 HydrophobicContact CE-CE1 4.33Å; M37-Y126 HydrophobicContact CE-CE2 4.4Å; T110-Y126 CarbonylContact C-O 3.54Å; T110-Y126 VanDerWaalsContact CA-O 3.32Å; T110-Y126 WeakPolarHBondContact CA-O 3.31Å; L111-Y126 HydrophobicContact CD2-CD2 4.38Å; L111-Y126 PolarHBondContact N-O 3.33Å; L111-Y126 PolarHBondContact O-N 2.71Å; T113-Y126 WeakPolarHBondContact OG1-CE2 3.26Å; I124-Y126 HydrophobicContact CB-CE2 3.84Å; I124-Y126 HydrophobicContact CG2-CD2 4.13Å; I124-Y126 HydrophobicContact CG2-CE1 4.41Å; I124-Y126 HydrophobicContact CG2-CE2 3.42Å; I124-Y126 VanDerWaalsContact CG2-CE2 3.42Å
127Q96.7Very high92.6Very high74 Ų7462.2 Ų62.235%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-102.2133.2176.3179.160.659.300109.2K9 D109K9-Q127 PolarHBondContact N-O 3.13Å; K9-Q127 PolarHBondContact O-N 3.24Å; D109-Q127 VanDerWaalsContact CB-NE2 3.33Å; D109-Q127 PolarHBondContact O-NE2 3.25Å; D109-Q127 VanDerWaalsContact O-NE2 3.11Å
128R96.3Very high92.8Very high65 Ų6567.2 Ų67.225%0.24533%0.331CS..EExtended strand (participates in β ladder)trans-61137.9172.9-167.7-177.6-66.8-862.8110.2E3 V5 T7 W8 D109E3-R128 PolarHBondContact O-NH1 3.43Å; E3-R128 PolarHBondContact O-NH2 3.04Å; V5-R128 PolarHBondContact O-NH1 3.4Å; T7-R128 WeakPolarHBondContact O-CA 3.42Å; W8-R128 HydrophobicContact CE3-CB 3.96Å; W8-R128 HydrophobicContact CH2-CB 4.28Å; W8-R128 VanDerWaalsContact CH2-CZ 3.42Å; W8-R128 HydrophobicContact CZ3-CB 3.65Å; W8-R128 HydrophobicContact CZ3-CG 4.32Å; D109-R128 HydrophobicContact CB-CB 4.1Å; D109-R128 PolarHBondContact O-N 2.9Å; D109-R128 IonicContact OD1-NE 3.52Å
129V93.3Very high93.4Very high138 Ų13863 Ų6384%0.83631%0.313SS*.  trans-105.10174.6-175.60000110.3T7 K9T7-V129 HydrophobicContact CG2-CB 3.99Å; T7-V129 HydrophobicContact CG2-CG2 4.09Å; T7-V129 PolarHBondContact O-N 3.4Å; K9-V129 HydrophobicContact CB-CG2 3.62Å

Retrieved 129 of 129 residues in 371.2 ms (Link to these results)

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