A0A087XNL1_POEFO Loading...

Fatty acid-binding protein, liver

Binds free fatty acids and their coenzyme A derivatives, bilirubin, and some other small molecules in the cytoplasm. Involved in intracellular lipid transport.

AlphaFold DB , UniProt , Accession A0A087XNL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 127 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
1M62.7Low87.3Confident176 Ų17659.4 Ų59.487%0.86732%0.317SS*.  0128.50-72.7173.8179.300107.1L103M1-L103 HydrophobicContact CB-CD2 3.84Å
2S79.3Confident87.4Confident68 Ų6859.3 Ų59.348%0.47631%0.313SS..  trans-103.6147.6179.9-580000109.1T4 E43S2-T4 PolarHBondContact O-N 2.81Å; S2-E43 WeakPolarHBondContact CA-OE2 2.87Å
3F85.1Confident87.7Confident1 Ų163.3 Ų63.30%0.00433%0.329CS..  trans-74.7-4.3172.7-70-94.9000112G5 Y7 I41 E43 F48 N88 L90 T101 L103 I109F3-G5 PolarHBondContact O-N 2.81Å; F3-Y7 VanDerWaalsContact O-CE2 3.29Å; F3-Y7 WeakPolarHBondContact O-CE2 3.44Å; F3-Y7 PolarHBondContact O-OH 2.8Å; F3-I41 HydrophobicContact CB-CD1 4.39Å; F3-I41 HydrophobicContact CB-CG2 3.89Å; F3-I41 WeakPolarHBondContact O-CB 3.43Å; F3-E43 PolarHBondContact N-OE2 2.85Å; F3-F48 HydrophobicContact CB-CE1 4.3Å; F3-F48 HydrophobicContact CD2-CE1 4.22Å; F3-N88 VanDerWaalsContact CZ-O 3.26Å; F3-N88 WeakPolarHBondContact CZ-O 3.47Å; F3-L90 HydrophobicContact CD1-CD1 4.39Å; F3-L90 HydrophobicContact CD2-CD1 4.11Å; F3-L90 HydrophobicContact CD2-CG 4.45Å; F3-L90 HydrophobicContact CE1-CD1 4.3Å; F3-L90 HydrophobicContact CE1-CG 4.46Å; F3-L90 HydrophobicContact CE2-CD1 4.03Å; F3-L90 HydrophobicContact CE2-CD2 4.43Å; F3-L90 HydrophobicContact CE2-CG 3.9Å; F3-L90 HydrophobicContact CG-CD1 4.27Å; F3-L90 HydrophobicContact CZ-CD1 4.11Å; F3-L90 HydrophobicContact CZ-CG 3.89Å; F3-T101 HydrophobicContact CE1-CG2 4.16Å; F3-L103 HydrophobicContact CD1-CB 4.15Å; F3-L103 HydrophobicContact CD1-CD1 4.47Å; F3-L103 HydrophobicContact CE1-CB 3.61Å; F3-L103 HydrophobicContact CZ-CB 3.97Å; F3-I109 HydrophobicContact CD1-CG2 4.35Å
4T90.2Very high87.7Confident57 Ų5765.4 Ų65.435%0.3534%0.341SS..  trans-58.8118.9-178.5-54.40000112.4S2 I41 E43 R126S2-T4 PolarHBondContact O-N 2.81Å; T4-I41 CarbonylContact C-O 3.5Å; T4-I41 VanDerWaalsContact CA-O 3.25Å; T4-I41 WeakPolarHBondContact CA-O 3.4Å; T4-E43 WeakPolarHBondContact OG1-CB 3.25Å; T4-E43 PolarHBondContact OG1-N 2.79Å; T4-R126 PolarHBondContact O-NH2 3.44Å
5G90.7Very high87.6Confident11 Ų1163 Ų6311%0.11333%0.327CS..EExtended strand (participates in β ladder)trans162.3171.3179.200000113.2F3 E40 I41F3-G5 PolarHBondContact O-N 2.81Å; G5-E40 WeakPolarHBondContact O-CA 3.42Å; G5-I41 PolarHBondContact N-O 2.77Å; G5-I41 PolarHBondContact O-N 2.85Å
6K93.3Very high87.6Confident109 Ų10964.4 Ų64.447%0.47433%0.331SS..EExtended strand (participates in β ladder)trans-98.2129.7169.4-71.2-179.5176.5178.60109S39 E40 R126 M127K6-S39 CarbonylContact C-O 3.55Å; K6-E40 WeakPolarHBondContact CE-OE2 3.33Å; K6-E40 HydrophobicContact CG-CB 4.11Å; K6-E40 HydrophobicContact CG-CG 3.93Å; K6-E40 IonicContact NZ-OE2 2.94Å; K6-E40 PolarHBondContact NZ-OE2 2.82Å; K6-R126 CarbonylContact O-C 3.54Å; K6-R126 VanDerWaalsContact O-CA 3.22Å; K6-R126 WeakPolarHBondContact O-CA 3.06Å; K6-R126 WeakPolarHBondContact O-CG 3.16Å; K6-M127 HydrophobicContact CB-CB 4.45Å; K6-M127 PolarHBondContact O-N 2.8Å
7Y93.1Very high87.8Confident0 Ų065.1 Ų65.10%034%0.339CS..EExtended strand (participates in β ladder)trans-123.5126.4-179.8-58.1-94.6000109.6F3 V38 S39 I41 I109 K125 R126F3-Y7 VanDerWaalsContact O-CE2 3.29Å; F3-Y7 WeakPolarHBondContact O-CE2 3.44Å; F3-Y7 PolarHBondContact O-OH 2.8Å; Y7-V38 CarbonylContact O-C 3.59Å; Y7-V38 WeakPolarHBondContact O-CA 3.45Å; Y7-S39 PolarHBondContact N-O 2.83Å; Y7-S39 PolarHBondContact O-N 3.2Å; Y7-I41 HydrophobicContact CD2-CD1 4.09Å; Y7-I41 HydrophobicContact CD2-CG1 4.38Å; Y7-I41 HydrophobicContact CE2-CD1 3.96Å; Y7-I41 HydrophobicContact CE2-CG1 4.37Å; Y7-I109 HydrophobicContact CD1-CB 4.41Å; Y7-I109 HydrophobicContact CD1-CD1 3.91Å; Y7-I109 HydrophobicContact CD1-CG1 3.72Å; Y7-I109 HydrophobicContact CD1-CG2 4Å; Y7-I109 HydrophobicContact CD2-CD1 3.82Å; Y7-I109 HydrophobicContact CE1-CB 4.45Å; Y7-I109 HydrophobicContact CE1-CD1 4.46Å; Y7-I109 HydrophobicContact CE1-CG1 4.24Å; Y7-I109 HydrophobicContact CE1-CG2 3.59Å; Y7-I109 HydrophobicContact CE2-CD1 4.39Å; Y7-I109 HydrophobicContact CE2-CG2 4.43Å; Y7-I109 HydrophobicContact CG-CD1 3.55Å; Y7-I109 HydrophobicContact CG-CG1 3.9Å; Y7-K125 CarbonylContact C-O 3.59Å; Y7-K125 VanDerWaalsContact CA-O 3.24Å; Y7-K125 WeakPolarHBondContact CA-O 3.46Å; Y7-R126 HydrophobicContact CD1-CB 4.01Å; Y7-R126 HydrophobicContact CE1-CB 3.94Å; Y7-R126 HydrophobicContact CE1-CG 4.36Å
8Q93.1Very high87.8Confident64 Ų6461.9 Ų61.930%0.29932%0.322SS..EExtended strand (participates in β ladder)trans-95.5137.4171-175.4171.384.900109.8E10 K36 V38 S124 K125 M127Q8-E10 PolarHBondContact O-N 3.36Å; Q8-K36 HydrophobicContact CG-CB 4.04Å; Q8-K36 HydrophobicContact CG-CD 4.26Å; Q8-V38 HydrophobicContact CB-CG2 4.48Å; Q8-V38 HydrophobicContact CG-CG2 4.36Å; Q8-S124 CarbonylContact O-C 3.51Å; Q8-S124 WeakPolarHBondContact O-CA 3.49Å; Q8-S124 WeakPolarHBondContact O-CB 3.27Å; Q8-K125 PolarHBondContact N-O 3.1Å; Q8-K125 PolarHBondContact O-N 3.46Å; Q8-M127 HydrophobicContact CB-CG 3.71Å; Q8-M127 HydrophobicContact CB-SD 3.78Å
9L91.5Very high87.8Confident13 Ų1358.9 Ų58.97%0.06831%0.306CS..EExtended strand (participates in β ladder)trans-57.9121171.9-173.966.5000110.4S11 H12 S37 R122L9-S11 WeakPolarHBondContact CD1-O 3.48Å; L9-H12 HydrophobicContact CD1-CB 4.29Å; L9-S37 WeakPolarHBondContact CB-O 3.4Å; L9-S37 PolarHBondContact N-O 3.32Å; L9-R122 HydrophobicContact CD1-CB 3.73Å
10E91.1Very high87.8Confident105 Ų10561.4 Ų61.449%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-95.6-46.1175.1-179.9169.681.100110.7Q8 I123 K125Q8-E10 PolarHBondContact O-N 3.36Å; E10-I123 PolarHBondContact N-O 2.85Å; E10-K125 VanDerWaalsContact CD-CE 3.48Å; E10-K125 WeakPolarHBondContact OE1-CE 3.31Å; E10-K125 IonicContact OE1-NZ 2.71Å; E10-K125 PolarHBondContact OE1-NZ 3.25Å; E10-K125 WeakPolarHBondContact OE2-CD 3.35Å; E10-K125 WeakPolarHBondContact OE2-CE 3.43Å; E10-K125 IonicContact OE2-NZ 2.69Å; E10-K125 PolarHBondContact OE2-NZ 3.32Å
11S89.8Confident87.7Confident49 Ų4960.9 Ų60.934%0.34332%0.32SS..EExtended strand (participates in β ladder)trans-154.2156.7-179.654.60000111.6L9 R122 I123L9-S11 WeakPolarHBondContact CD1-O 3.48Å; S11-R122 WeakPolarHBondContact O-CA 3.49Å; S11-I123 PolarHBondContact N-O 2.84Å; S11-I123 PolarHBondContact O-N 3.04Å
12H89.4Confident88.7Confident59 Ų5954.5 Ų54.527%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-151.6154.1174.761.694.2000111.7L9 F15 K33 Y120 K121 R122L9-H12 HydrophobicContact CD1-CB 4.29Å; H12-F15 AromaticContact CE1-CG 3.98Å; H12-F15 WeakPolarHBondContact ND1-CB 3.41Å; H12-F15 AromaticContact ND1-CG 3.85Å; H12-K33 PolarHBondContact NE2-O 3.11Å; H12-Y120 HydrophobicContact CB-CE2 3.9Å; H12-K121 CarbonylContact C-O 3.55Å; H12-K121 WeakPolarHBondContact CA-O 2.89Å; H12-R122 HydrophobicContact CB-CB 3.96Å
13E90.4Very high88.8Confident111 Ų11153.8 Ų53.852%0.51929%0.294SS..EExtended strand (participates in β ladder)trans-130.5137.5-174.8-60.5-178.594.900109.2F15 Y120 K121E13-F15 VanDerWaalsContact C-N 3.27Å; E13-F15 PolarHBondContact O-N 2.96Å; E13-Y120 WeakPolarHBondContact O-CD2 3.41Å; E13-K121 PolarHBondContact N-O 2.92Å; E13-K121 PolarHBondContact O-N 3.1Å; E13-K121 VanDerWaalsContact O-N 3.15Å
14N88.6Confident88.7Confident93 Ų9354.3 Ų54.350%0.49730%0.297SS..SBendtrans61.324180-57.9-37.4000115.9E16 V17 F18 V119N14-E16 PolarHBondContact O-N 2.83Å; N14-V17 PolarHBondContact O-N 2.76Å; N14-F18 VanDerWaalsContact O-CB 3.32Å; N14-F18 WeakPolarHBondContact O-CB 3.44Å; N14-F18 PolarHBondContact O-N 2.92Å; N14-V119 VanDerWaalsContact CB-O 3.27Å; N14-V119 WeakPolarHBondContact CB-O 3.28Å; N14-V119 PolarHBondContact ND2-O 3.18Å
15F86.1Confident88.5Confident29 Ų2955.2 Ų55.213%0.12730%0.304CS..Hα-helixtrans-55.8-52.8177.7176.1-96.5000112.4H12 E13 V17 F18 M19 I29 K33 Y120H12-F15 AromaticContact CE1-CG 3.98Å; H12-F15 WeakPolarHBondContact ND1-CB 3.41Å; H12-F15 AromaticContact ND1-CG 3.85Å; E13-F15 VanDerWaalsContact C-N 3.27Å; E13-F15 PolarHBondContact O-N 2.96Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-V17 PolarHBondContact O-N 2.9Å; F15-F18 PolarHBondContact O-N 3.11Å; F15-M19 HydrophobicContact CD1-CG 4.1Å; F15-M19 HydrophobicContact CD2-CE 3.6Å; F15-M19 HydrophobicContact CD2-CG 3.99Å; F15-M19 HydrophobicContact CE1-CG 3.92Å; F15-M19 HydrophobicContact CE2-CE 3.3Å; F15-M19 HydrophobicContact CE2-CG 3.83Å; F15-M19 HydrophobicContact CE2-SD 4.2Å; F15-M19 HydrophobicContact CG-CG 4.14Å; F15-M19 HydrophobicContact CZ-CE 4.06Å; F15-M19 HydrophobicContact CZ-CG 3.77Å; F15-M19 HydrophobicContact CZ-SD 4.41Å; F15-M19 WeakPolarHBondContact O-CB 3.47Å; F15-M19 WeakPolarHBondContact O-CG 3.26Å; F15-M19 PolarHBondContact O-N 2.92Å; F15-I29 HydrophobicContact CD1-CG2 4.09Å; F15-I29 HydrophobicContact CE1-CG2 3.88Å; F15-K33 HydrophobicContact CD1-CB 4.11Å; F15-K33 HydrophobicContact CE1-CB 4.12Å; F15-Y120 HydrophobicContact CB-CD2 4.19Å; F15-Y120 HydrophobicContact CB-CE2 3.69Å; F15-Y120 AromaticContact CD2-CE2 3.88Å; F15-Y120 HydrophobicContact CD2-CE2 3.88Å; F15-Y120 AromaticContact CD2-CZ 3.85Å; F15-Y120 HydrophobicContact CG-CE2 4.3Å
16E87.7Confident88.2Confident85 Ų8558.7 Ų58.740%0.39732%0.32SS..Hα-helixtrans-62.2-43.7-175.7-58.9-174.59200111.8N14 M19 K20 I29N14-E16 PolarHBondContact O-N 2.83Å; E16-M19 PolarHBondContact O-N 2.79Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.31Å; E16-K20 PolarHBondContact O-N 2.82Å; E16-I29 HydrophobicContact CB-CG2 3.92Å; E16-I29 HydrophobicContact CG-CG2 3.69Å
17V90.1Very high87.7Confident77 Ų7759.5 Ų59.547%0.46733%0.326SS..Hα-helixtrans-63.5-45180-176.40000110.8N14 F15 A21 I118N14-V17 PolarHBondContact O-N 2.76Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-V17 PolarHBondContact O-N 2.9Å; V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 2.77Å; V17-I118 HydrophobicContact CB-CG2 4.41Å; V17-I118 HydrophobicContact CG1-CD1 3.89Å; V17-I118 HydrophobicContact CG1-CG1 4.01Å; V17-I118 HydrophobicContact CG1-CG2 3.91Å
18F88.9Confident87.2Confident7 Ų763.2 Ų63.23%0.03135%0.345CS..Hα-helixtrans-66.1-47177.8179.1-91.5000112.1N14 F15 K20 A21 V22 I97 M113 V115 I118 Y120N14-F18 VanDerWaalsContact O-CB 3.32Å; N14-F18 WeakPolarHBondContact O-CB 3.44Å; N14-F18 PolarHBondContact O-N 2.92Å; F15-F18 PolarHBondContact O-N 3.11Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.81Å; F18-A21 WeakPolarHBondContact O-CB 3.04Å; F18-A21 PolarHBondContact O-N 2.77Å; F18-V22 HydrophobicContact CD1-CG1 4.31Å; F18-V22 HydrophobicContact CD1-CG2 4.47Å; F18-V22 HydrophobicContact CE1-CG1 3.82Å; F18-V22 HydrophobicContact CE1-CG2 4.31Å; F18-V22 HydrophobicContact CE2-CG1 4.18Å; F18-V22 HydrophobicContact CZ-CG1 3.74Å; F18-V22 WeakPolarHBondContact O-CG2 3.25Å; F18-V22 PolarHBondContact O-N 3.05Å; F18-I97 HydrophobicContact CE2-CG2 4.16Å; F18-I97 HydrophobicContact CZ-CG2 3.96Å; F18-M113 HydrophobicContact CD2-CB 4.43Å; F18-M113 HydrophobicContact CE1-CB 4.39Å; F18-M113 HydrophobicContact CE1-SD 3.88Å; F18-M113 HydrophobicContact CE2-CB 3.63Å; F18-M113 HydrophobicContact CZ-CB 3.61Å; F18-M113 HydrophobicContact CZ-CG 4.34Å; F18-M113 HydrophobicContact CZ-SD 3.77Å; F18-V115 HydrophobicContact CD2-CG1 3.59Å; F18-V115 HydrophobicContact CE2-CB 4.08Å; F18-V115 HydrophobicContact CE2-CG1 3.63Å; F18-I118 HydrophobicContact CB-CG2 4.07Å; F18-I118 HydrophobicContact CD2-CG2 4.39Å; F18-Y120 HydrophobicContact CB-CG 4.16Å; F18-Y120 HydrophobicContact CD1-CD1 4.12Å; F18-Y120 HydrophobicContact CD1-CG 4.21Å; F18-Y120 HydrophobicContact CE1-CD1 4.38Å; F18-Y120 HydrophobicContact CG-CD1 4.38Å; F18-Y120 HydrophobicContact CG-CG 4.05Å
19M86.8Confident86.8Confident5 Ų560.2 Ų60.23%0.02533%0.331CS..Hα-helixtrans-60-39.7179.6-69.1-58.1158.500111.5F15 E16 V22 G23 V24 I29 L74F15-M19 HydrophobicContact CD1-CG 4.1Å; F15-M19 HydrophobicContact CD2-CE 3.6Å; F15-M19 HydrophobicContact CD2-CG 3.99Å; F15-M19 HydrophobicContact CE1-CG 3.92Å; F15-M19 HydrophobicContact CE2-CE 3.3Å; F15-M19 HydrophobicContact CE2-CG 3.83Å; F15-M19 HydrophobicContact CE2-SD 4.2Å; F15-M19 HydrophobicContact CG-CG 4.14Å; F15-M19 HydrophobicContact CZ-CE 4.06Å; F15-M19 HydrophobicContact CZ-CG 3.77Å; F15-M19 HydrophobicContact CZ-SD 4.41Å; F15-M19 WeakPolarHBondContact O-CB 3.47Å; F15-M19 WeakPolarHBondContact O-CG 3.26Å; F15-M19 PolarHBondContact O-N 2.92Å; E16-M19 PolarHBondContact O-N 2.79Å; M19-V22 VanDerWaalsContact O-CG2 3.27Å; M19-V22 WeakPolarHBondContact O-CG2 3.34Å; M19-V22 PolarHBondContact O-N 2.63Å; M19-V22 HydrophobicContact SD-CG2 4.42Å; M19-G23 PolarHBondContact O-N 2.75Å; M19-V24 HydrophobicContact CB-CB 4.03Å; M19-V24 HydrophobicContact CB-CG1 4.5Å; M19-V24 HydrophobicContact CB-CG2 4.33Å; M19-V24 WeakPolarHBondContact O-CB 3.38Å; M19-V24 PolarHBondContact O-N 2.88Å; M19-V24 HydrophobicContact SD-CG2 3.88Å; M19-I29 HydrophobicContact CB-CD1 3.43Å; M19-I29 VanDerWaalsContact CB-CD1 3.43Å; M19-I29 HydrophobicContact CB-CG1 3.52Å; M19-I29 HydrophobicContact CB-CG2 4.43Å; M19-I29 HydrophobicContact CG-CG1 4.35Å; M19-L74 HydrophobicContact CE-CD1 3.24Å; M19-L74 HydrophobicContact SD-CD1 3.65Å
20K87.6Confident86.4Confident108 Ų10864.4 Ų64.447%0.4735%0.35SS..Hα-helixtrans-62.8-43.3172.2-73.9-178.5-177.6-154.30112.4E16 F18 V22 G23 D26 I29E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.31Å; E16-K20 PolarHBondContact O-N 2.82Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.81Å; K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.83Å; K20-G23 PolarHBondContact O-N 2.86Å; K20-G23 VanDerWaalsContact O-N 3.08Å; K20-D26 WeakPolarHBondContact CE-OD1 3.49Å; K20-D26 IonicContact NZ-OD1 2.75Å; K20-D26 PolarHBondContact NZ-OD1 3Å; K20-I29 HydrophobicContact CB-CD1 4.47Å; K20-I29 HydrophobicContact CG-CD1 3.57Å
21A86.8Confident86Confident52 Ų5265.1 Ų65.143%0.4335%0.352SS..Hα-helixtrans-65.3-33.4-179.600000113.1V17 F18 G23 V115 I118V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 2.77Å; F18-A21 WeakPolarHBondContact O-CB 3.04Å; F18-A21 PolarHBondContact O-N 2.77Å; A21-G23 VanDerWaalsContact C-N 3.27Å; A21-V115 HydrophobicContact CB-CG1 4.04Å; A21-I118 HydrophobicContact CB-CD1 3.43Å; A21-I118 VanDerWaalsContact CB-CD1 3.43Å
22V82.9Confident85.3Confident42 Ų4263.4 Ų63.426%0.25534%0.341SS..THydrogen-bonded Turntrans-84.71.4174.6-57.30000113.5F18 M19 K20 V24 I97F18-V22 HydrophobicContact CD1-CG1 4.31Å; F18-V22 HydrophobicContact CD1-CG2 4.47Å; F18-V22 HydrophobicContact CE1-CG1 3.82Å; F18-V22 HydrophobicContact CE1-CG2 4.31Å; F18-V22 HydrophobicContact CE2-CG1 4.18Å; F18-V22 HydrophobicContact CZ-CG1 3.74Å; F18-V22 WeakPolarHBondContact O-CG2 3.25Å; F18-V22 PolarHBondContact O-N 3.05Å; M19-V22 VanDerWaalsContact O-CG2 3.27Å; M19-V22 WeakPolarHBondContact O-CG2 3.34Å; M19-V22 PolarHBondContact O-N 2.63Å; M19-V22 HydrophobicContact SD-CG2 4.42Å; K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.83Å; V22-V24 HydrophobicContact CG2-CG2 3.84Å; V22-I97 HydrophobicContact CG1-CD1 3.66Å; V22-I97 HydrophobicContact CG1-CG1 4.46Å
23G81.9Confident84.9Confident53 Ų5363.5 Ų63.555%0.54634%0.341SS..THydrogen-bonded Turntrans83.319.9175.300000115.4M19 K20 A21M19-G23 PolarHBondContact O-N 2.75Å; K20-G23 PolarHBondContact O-N 2.86Å; K20-G23 VanDerWaalsContact O-N 3.08Å; A21-G23 VanDerWaalsContact C-N 3.27Å
24V83.5Confident84.2Confident11 Ų1164.6 Ų64.67%0.06735%0.351CS..  trans-71.2130.1171.5177.70000109M19 V22 L28 I29 L74 T75M19-V24 HydrophobicContact CB-CB 4.03Å; M19-V24 HydrophobicContact CB-CG1 4.5Å; M19-V24 HydrophobicContact CB-CG2 4.33Å; M19-V24 WeakPolarHBondContact O-CB 3.38Å; M19-V24 PolarHBondContact O-N 2.88Å; M19-V24 HydrophobicContact SD-CG2 3.88Å; V22-V24 HydrophobicContact CG2-CG2 3.84Å; V24-L28 HydrophobicContact CG1-CB 3.75Å; V24-L28 HydrophobicContact CG1-CD1 4.38Å; V24-I29 HydrophobicContact CB-CD1 4.42Å; V24-I29 HydrophobicContact CB-CG1 4.19Å; V24-I29 HydrophobicContact CG1-CD1 4.5Å; V24-I29 HydrophobicContact CG1-CG1 3.77Å; V24-I29 WeakPolarHBondContact O-CD1 3.32Å; V24-L74 HydrophobicContact CG2-CB 4.47Å; V24-T75 HydrophobicContact CB-CG2 4.28Å; V24-T75 HydrophobicContact CG2-CG2 3.4Å
25P84.4Confident83.9Confident76 Ų7663.4 Ų63.449%0.49434%0.344SS..  trans-57.5138.3175.5-25.232.5000113E27 L28 I29P25-E27 PolarHBondContact O-N 3.47Å; P25-L28 HydrophobicContact CG-CD1 4.45Å; P25-L28 PolarHBondContact O-N 2.82Å; P25-I29 WeakPolarHBondContact O-CG1 3.33Å; P25-I29 PolarHBondContact O-N 3.42Å
26D85.4Confident83.8Confident85 Ų8568.6 Ų68.646%0.45537%0.366SS..Hα-helixtrans-49.3-34.5177.9-78.7-99000113.6K20 L28 I29 Q30K20-D26 WeakPolarHBondContact CE-OD1 3.49Å; K20-D26 IonicContact NZ-OD1 2.75Å; K20-D26 PolarHBondContact NZ-OD1 3Å; D26-L28 PolarHBondContact O-N 2.76Å; D26-I29 WeakPolarHBondContact O-CB 3.15Å; D26-I29 PolarHBondContact O-N 2.79Å; D26-Q30 WeakPolarHBondContact O-CB 3.39Å; D26-Q30 VanDerWaalsContact O-CG 3.27Å; D26-Q30 WeakPolarHBondContact O-CG 3.48Å; D26-Q30 PolarHBondContact O-N 3.06Å
27E83.7Confident83.8Confident126 Ų12665 Ų6559%0.58935%0.35SS*.Hα-helixtrans-63.1-41.2178-163.1-170.7107.300112.4P25 K31P25-E27 PolarHBondContact O-N 3.47Å; E27-K31 WeakPolarHBondContact O-CB 3.28Å; E27-K31 VanDerWaalsContact O-CG 3.31Å; E27-K31 WeakPolarHBondContact O-CG 3.26Å; E27-K31 PolarHBondContact O-N 2.78Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 2.81Å
28L80.9Confident83.8Confident77 Ų7763 Ų6340%0.40334%0.338SS..Hα-helixtrans-71.5-33.8176.2-66.6-176.4000111.4V24 P25 D26 K31 G32V24-L28 HydrophobicContact CG1-CB 3.75Å; V24-L28 HydrophobicContact CG1-CD1 4.38Å; P25-L28 HydrophobicContact CG-CD1 4.45Å; P25-L28 PolarHBondContact O-N 2.82Å; D26-L28 PolarHBondContact O-N 2.76Å; L28-K31 PolarHBondContact O-N 2.82Å; L28-G32 PolarHBondContact O-N 2.81Å
29I85.3Confident84Confident1 Ų162.8 Ų62.81%0.00534%0.338CS..Hα-helixtrans-63.7-49.7175.3-58.8179.9000110.2F15 E16 M19 K20 V24 P25 D26 K31 G32 K33F15-I29 HydrophobicContact CD1-CG2 4.09Å; F15-I29 HydrophobicContact CE1-CG2 3.88Å; E16-I29 HydrophobicContact CB-CG2 3.92Å; E16-I29 HydrophobicContact CG-CG2 3.69Å; M19-I29 HydrophobicContact CB-CD1 3.43Å; M19-I29 VanDerWaalsContact CB-CD1 3.43Å; M19-I29 HydrophobicContact CB-CG1 3.52Å; M19-I29 HydrophobicContact CB-CG2 4.43Å; M19-I29 HydrophobicContact CG-CG1 4.35Å; K20-I29 HydrophobicContact CB-CD1 4.47Å; K20-I29 HydrophobicContact CG-CD1 3.57Å; V24-I29 HydrophobicContact CB-CD1 4.42Å; V24-I29 HydrophobicContact CB-CG1 4.19Å; V24-I29 HydrophobicContact CG1-CD1 4.5Å; V24-I29 HydrophobicContact CG1-CG1 3.77Å; V24-I29 WeakPolarHBondContact O-CD1 3.32Å; P25-I29 WeakPolarHBondContact O-CG1 3.33Å; P25-I29 PolarHBondContact O-N 3.42Å; D26-I29 WeakPolarHBondContact O-CB 3.15Å; D26-I29 PolarHBondContact O-N 2.79Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 2.79Å; I29-G32 PolarHBondContact O-N 3.03Å; I29-G32 VanDerWaalsContact O-N 3.14Å; I29-K33 WeakPolarHBondContact O-CB 3.46Å; I29-K33 PolarHBondContact O-N 2.84Å
30Q83.9Confident84.2Confident101 Ų10165.5 Ų65.547%0.47235%0.35SS..Hα-helixtrans-62-38.9178.2-72.2-85.1-22.900111.7D26D26-Q30 WeakPolarHBondContact O-CB 3.39Å; D26-Q30 VanDerWaalsContact O-CG 3.27Å; D26-Q30 WeakPolarHBondContact O-CG 3.48Å; D26-Q30 PolarHBondContact O-N 3.06Å
31K81.1Confident84.4Confident121 Ų12160.9 Ų60.953%0.52633%0.331SS..Hα-helixtrans-68-36.8174.1-76.5172175.8168.30112.2E27 L28 I29 L35E27-K31 WeakPolarHBondContact O-CB 3.28Å; E27-K31 VanDerWaalsContact O-CG 3.31Å; E27-K31 WeakPolarHBondContact O-CG 3.26Å; E27-K31 PolarHBondContact O-N 2.78Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 2.81Å; L28-K31 PolarHBondContact O-N 2.82Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 2.79Å; K31-L35 WeakPolarHBondContact O-CD1 3.38Å; K31-L35 WeakPolarHBondContact O-CG 3.29Å
32G76.8Confident84.7Confident12 Ų1261.9 Ų61.912%0.12433%0.327CS..Hα-helixtrans-82.6-30.8-174.300000115.2L28 I29 D34 L35L28-G32 PolarHBondContact O-N 2.81Å; I29-G32 PolarHBondContact O-N 3.03Å; I29-G32 VanDerWaalsContact O-N 3.14Å; G32-D34 VanDerWaalsContact C-N 3.3Å; G32-D34 PolarHBondContact O-N 2.77Å; G32-L35 PolarHBondContact O-N 2.95Å; G32-L35 VanDerWaalsContact O-N 3.1Å
33K79.3Confident85Confident62 Ų6261.6 Ų61.627%0.2732%0.322SS..Hα-helixtrans-64-31.8-172.173.1-177.6178.21790113.9H12 F15 I29H12-K33 PolarHBondContact NE2-O 3.11Å; F15-K33 HydrophobicContact CD1-CB 4.11Å; F15-K33 HydrophobicContact CE1-CB 4.12Å; I29-K33 WeakPolarHBondContact O-CB 3.46Å; I29-K33 PolarHBondContact O-N 2.84Å
34D77.6Confident85.4Confident134 Ų13464.1 Ų64.172%0.71733%0.327SS*.THydrogen-bonded Turntrans-92.4-5.6179.5-68.5-73.8000112.1G32G32-D34 VanDerWaalsContact C-N 3.3Å; G32-D34 PolarHBondContact O-N 2.77Å
35L81.4Confident85.6Confident67 Ų6766.2 Ų66.235%0.35135%0.351SS..SBendtrans-93.2128.1-177.6-67.8174.8000111.3K31 G32 S37 T54K31-L35 WeakPolarHBondContact O-CD1 3.38Å; K31-L35 WeakPolarHBondContact O-CG 3.29Å; G32-L35 PolarHBondContact O-N 2.95Å; G32-L35 VanDerWaalsContact O-N 3.1Å; L35-S37 PolarHBondContact O-N 2.67Å; L35-S37 VanDerWaalsContact O-N 3.11Å; L35-T54 HydrophobicContact CB-CG2 3.85Å; L35-T54 HydrophobicContact CD1-CG2 4.13Å
36K84.4Confident85.8Confident138 Ų13867.3 Ų67.360%0.635%0.353SS*.  trans-74103.6169.6-63-170.9-179.9-172.70109.7Q8Q8-K36 HydrophobicContact CG-CB 4.04Å; Q8-K36 HydrophobicContact CG-CD 4.26Å
37S87Confident86.1Confident9 Ų967.4 Ų67.46%0.06335%0.353CS..  trans-70.3132.9173.365.20000110.6L9 L35 T53 T54L9-S37 WeakPolarHBondContact CB-O 3.4Å; L9-S37 PolarHBondContact N-O 3.32Å; L35-S37 PolarHBondContact O-N 2.67Å; L35-S37 VanDerWaalsContact O-N 3.11Å; S37-T53 CarbonylContact C-O 3.57Å; S37-T53 VanDerWaalsContact CA-O 3.28Å; S37-T53 WeakPolarHBondContact CA-O 3.41Å; S37-T54 VanDerWaalsContact CB-OG1 3.24Å; S37-T54 WeakPolarHBondContact CB-OG1 3Å
38V91.4Very high86.5Confident35 Ų3561.6 Ų61.621%0.21233%0.326CS..EExtended strand (participates in β ladder)trans-102.3122.2171.6-179.90000108.4Y7 Q8 V52 T53 M127Y7-V38 CarbonylContact O-C 3.59Å; Y7-V38 WeakPolarHBondContact O-CA 3.45Å; Q8-V38 HydrophobicContact CB-CG2 4.48Å; Q8-V38 HydrophobicContact CG-CG2 4.36Å; V38-V52 CarbonylContact O-C 3.5Å; V38-V52 WeakPolarHBondContact O-CA 3.48Å; V38-T53 PolarHBondContact N-O 3.16Å; V38-T53 PolarHBondContact O-N 3.38Å; V38-M127 HydrophobicContact CG1-SD 4.1Å; V38-M127 HydrophobicContact CG2-SD 4.16Å
39S91.1Very high87Confident4 Ų461.9 Ų61.93%0.02832%0.324CS..EExtended strand (participates in β ladder)trans-107.7113.4176-56.80000109.4K6 Y7 T51K6-S39 CarbonylContact C-O 3.55Å; Y7-S39 PolarHBondContact N-O 2.83Å; Y7-S39 PolarHBondContact O-N 3.2Å; S39-T51 CarbonylContact C-O 3.48Å; S39-T51 WeakPolarHBondContact CA-O 3.33Å
40E92.7Very high87.3Confident61 Ų6163.1 Ų63.129%0.28533%0.332SS..EExtended strand (participates in β ladder)trans-94.2126.6169.8-176175.659.200108.8G5 K6 V50 T51G5-E40 WeakPolarHBondContact O-CA 3.42Å; K6-E40 WeakPolarHBondContact CE-OE2 3.33Å; K6-E40 HydrophobicContact CG-CB 4.11Å; K6-E40 HydrophobicContact CG-CG 3.93Å; K6-E40 IonicContact NZ-OE2 2.94Å; K6-E40 PolarHBondContact NZ-OE2 2.82Å; E40-V50 CarbonylContact O-C 3.51Å; E40-V50 VanDerWaalsContact O-CA 3.3Å; E40-V50 WeakPolarHBondContact O-CA 3.49Å; E40-T51 PolarHBondContact N-O 2.83Å; E40-T51 PolarHBondContact O-N 2.78Å
41I92Very high87.7Confident11 Ų1159 Ų596%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-117.3128.1178.4-54.7174.9000107.5F3 T4 G5 Y7 F48 K49 V50 I109F3-I41 HydrophobicContact CB-CD1 4.39Å; F3-I41 HydrophobicContact CB-CG2 3.89Å; F3-I41 WeakPolarHBondContact O-CB 3.43Å; T4-I41 CarbonylContact C-O 3.5Å; T4-I41 VanDerWaalsContact CA-O 3.25Å; T4-I41 WeakPolarHBondContact CA-O 3.4Å; G5-I41 PolarHBondContact N-O 2.77Å; G5-I41 PolarHBondContact O-N 2.85Å; Y7-I41 HydrophobicContact CD2-CD1 4.09Å; Y7-I41 HydrophobicContact CD2-CG1 4.38Å; Y7-I41 HydrophobicContact CE2-CD1 3.96Å; Y7-I41 HydrophobicContact CE2-CG1 4.37Å; I41-F48 HydrophobicContact CG2-CD1 4.23Å; I41-K49 CarbonylContact C-O 3.58Å; I41-K49 WeakPolarHBondContact CA-O 3.45Å; I41-V50 HydrophobicContact CG1-CG1 4.35Å; I41-V50 HydrophobicContact CG1-CG2 4.26Å; I41-V50 HydrophobicContact CG2-CG2 4.3Å; I41-I109 HydrophobicContact CD1-CD1 4.11Å
42E91.9Very high88.1Confident74 Ų7454.2 Ų54.235%0.34630%0.295SS..EExtended strand (participates in β ladder)trans-117113.9173.7-55177.683.200107.7F48 K49E42-F48 CarbonylContact O-C 3.59Å; E42-F48 WeakPolarHBondContact O-CA 3.32Å; E42-K49 HydrophobicContact CB-CB 4.23Å; E42-K49 PolarHBondContact N-O 2.91Å; E42-K49 PolarHBondContact O-N 3.12Å; E42-K49 WeakPolarHBondContact OE2-CD 3.29Å; E42-K49 WeakPolarHBondContact OE2-CE 3.42Å; E42-K49 IonicContact OE2-NZ 2.83Å; E42-K49 PolarHBondContact OE2-NZ 2.95Å
43E89.6Confident88.6Confident35 Ų3556.1 Ų56.116%0.16430%0.304CS..EExtended strand (participates in β ladder)trans-104.4121.1175.8175-178.4157.200109.3S2 F3 T4 F48 R85S2-E43 WeakPolarHBondContact CA-OE2 2.87Å; F3-E43 PolarHBondContact N-OE2 2.85Å; T4-E43 WeakPolarHBondContact OG1-CB 3.25Å; T4-E43 PolarHBondContact OG1-N 2.79Å; E43-F48 HydrophobicContact CB-CD1 4.07Å; E43-F48 HydrophobicContact CB-CE1 3.73Å; E43-F48 HydrophobicContact CB-CZ 4.09Å; E43-F48 VanDerWaalsContact CD-CZ 3.49Å; E43-F48 HydrophobicContact CG-CD1 4.32Å; E43-F48 HydrophobicContact CG-CE1 3.63Å; E43-F48 HydrophobicContact CG-CE2 3.99Å; E43-F48 HydrophobicContact CG-CZ 3.44Å; E43-F48 VanDerWaalsContact CG-CZ 3.44Å; E43-R85 IonicContact OE1-CZ 2.81Å; E43-R85 IonicContact OE1-NH1 3.88Å; E43-R85 PolarHBondContact OE1-NH1 2.87Å; E43-R85 IonicContact OE1-NH2 3.42Å; E43-R85 PolarHBondContact OE1-NH2 2.7Å; E43-R85 VanDerWaalsContact OE1-NH2 3.11Å; E43-R85 IonicContact OE2-NH2 2.8Å
44T89.6Confident88.9Confident106 Ų10654.4 Ų54.465%0.6530%0.298SS*.EExtended strand (participates in β ladder)trans-123.683.1175.8-53.50000109D46 D47T44-D46 PolarHBondContact O-N 3.2Å; T44-D46 VanDerWaalsContact O-N 3.11Å; T44-D47 PolarHBondContact N-O 2.94Å; T44-D47 PolarHBondContact O-N 2.88Å
45G88.1Confident89.1Confident55 Ų5550.1 Ų50.157%0.56729%0.286SS*.THydrogen-bonded Turntrans66.2-109.8-173.800000111.2
46D89.7Confident89Confident100 Ų10052.9 Ų52.954%0.53531%0.311SS..THydrogen-bonded Turntrans-95.1-9.7176.4-63.7-53000113.2T44 F48 T64 I65T44-D46 PolarHBondContact O-N 3.2Å; T44-D46 VanDerWaalsContact O-N 3.11Å; D46-F48 WeakPolarHBondContact O-CD2 3.42Å; D46-T64 HydrophobicContact CB-CG2 3.99Å; D46-T64 CarbonylContact O-C 3.46Å; D46-T64 VanDerWaalsContact O-CA 3.31Å; D46-T64 WeakPolarHBondContact O-CA 3.44Å; D46-I65 HydrophobicContact CB-CB 4.46Å; D46-I65 PolarHBondContact O-N 2.81Å
47D91.6Very high88.7Confident86 Ų8651.3 Ų51.346%0.4631%0.309SS..EExtended strand (participates in β ladder)trans-91.2127.6179.2-66.9-71000110.8T44 T64T44-D47 PolarHBondContact N-O 2.94Å; T44-D47 PolarHBondContact O-N 2.88Å; D47-T64 WeakPolarHBondContact OD1-CB 3.45Å; D47-T64 WeakPolarHBondContact OD1-CG2 3.39Å; D47-T64 PolarHBondContact OD1-OG1 2.91Å
48F91.6Very high88.7Confident4 Ų455.1 Ų55.12%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-120.2137.2-180-75.1-105.1000109.7F3 I41 E42 E43 D46 S62 F63 I65 L90F3-F48 HydrophobicContact CB-CE1 4.3Å; F3-F48 HydrophobicContact CD2-CE1 4.22Å; I41-F48 HydrophobicContact CG2-CD1 4.23Å; E42-F48 CarbonylContact O-C 3.59Å; E42-F48 WeakPolarHBondContact O-CA 3.32Å; E43-F48 HydrophobicContact CB-CD1 4.07Å; E43-F48 HydrophobicContact CB-CE1 3.73Å; E43-F48 HydrophobicContact CB-CZ 4.09Å; E43-F48 VanDerWaalsContact CD-CZ 3.49Å; E43-F48 HydrophobicContact CG-CD1 4.32Å; E43-F48 HydrophobicContact CG-CE1 3.63Å; E43-F48 HydrophobicContact CG-CE2 3.99Å; E43-F48 HydrophobicContact CG-CZ 3.44Å; E43-F48 VanDerWaalsContact CG-CZ 3.44Å; D46-F48 WeakPolarHBondContact O-CD2 3.42Å; F48-S62 CarbonylContact O-C 3.55Å; F48-S62 WeakPolarHBondContact O-CA 3.3Å; F48-F63 HydrophobicContact CB-CD1 4.37Å; F48-F63 HydrophobicContact CB-CD2 3.76Å; F48-F63 HydrophobicContact CB-CE1 4.02Å; F48-F63 HydrophobicContact CB-CE2 3.34Å; F48-F63 HydrophobicContact CB-CG 4.26Å; F48-F63 HydrophobicContact CB-CZ 3.49Å; F48-F63 VanDerWaalsContact CB-CZ 3.49Å; F48-F63 HydrophobicContact CD1-CE2 4.39Å; F48-F63 HydrophobicContact CD1-CZ 4.44Å; F48-F63 HydrophobicContact CD2-CE2 4.13Å; F48-F63 HydrophobicContact CG-CD2 4.39Å; F48-F63 AromaticContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CZ 4.07Å; F48-F63 PolarHBondContact N-O 3.12Å; F48-F63 PolarHBondContact O-N 2.9Å; F48-I65 HydrophobicContact CD2-CD1 3.84Å; F48-I65 HydrophobicContact CD2-CG1 3.68Å; F48-I65 HydrophobicContact CE2-CD1 3.75Å; F48-I65 HydrophobicContact CE2-CG1 3.38Å; F48-I65 HydrophobicContact CZ-CD1 4.47Å; F48-I65 HydrophobicContact CZ-CG1 4.37Å; F48-L90 HydrophobicContact CD1-CD1 4.34Å; F48-L90 HydrophobicContact CE1-CD1 4.04Å; F48-L90 HydrophobicContact CZ-CD2 4.43Å
49K92.1Very high88.5Confident83 Ų8354.8 Ų54.836%0.36133%0.329SS..EExtended strand (participates in β ladder)trans-124.9122.5170177.1168.1165.2-115.90109I41 E42 T60 N61I41-K49 CarbonylContact C-O 3.58Å; I41-K49 WeakPolarHBondContact CA-O 3.45Å; E42-K49 HydrophobicContact CB-CB 4.23Å; E42-K49 PolarHBondContact N-O 2.91Å; E42-K49 PolarHBondContact O-N 3.12Å; E42-K49 WeakPolarHBondContact OE2-CD 3.29Å; E42-K49 WeakPolarHBondContact OE2-CE 3.42Å; E42-K49 IonicContact OE2-NZ 2.83Å; E42-K49 PolarHBondContact OE2-NZ 2.95Å; K49-T60 HydrophobicContact CD-CG2 4.41Å; K49-T60 HydrophobicContact CG-CG2 4.12Å; K49-N61 CarbonylContact C-O 3.46Å; K49-N61 WeakPolarHBondContact CA-O 3.49Å
50V91Very high88.4Confident27 Ų2757.8 Ų57.816%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-118.7114.2-177.3-177.50000108.7E40 I41 V52 T60 N61 F63E40-V50 CarbonylContact O-C 3.51Å; E40-V50 VanDerWaalsContact O-CA 3.3Å; E40-V50 WeakPolarHBondContact O-CA 3.49Å; I41-V50 HydrophobicContact CG1-CG1 4.35Å; I41-V50 HydrophobicContact CG1-CG2 4.26Å; I41-V50 HydrophobicContact CG2-CG2 4.3Å; V50-V52 HydrophobicContact CG1-CG2 3.97Å; V50-T60 WeakPolarHBondContact O-CA 3.4Å; V50-N61 PolarHBondContact N-O 2.89Å; V50-N61 PolarHBondContact O-N 2.76Å; V50-F63 HydrophobicContact CB-CE1 4.47Å; V50-F63 HydrophobicContact CG2-CE1 3.63Å; V50-F63 HydrophobicContact CG2-CZ 4.04Å
51T91.3Very high88.3Confident16 Ų1656 Ų5610%0.09834%0.339CS..EExtended strand (participates in β ladder)trans-106.2115175.8-510000108.8S39 E40 V58 I59S39-T51 CarbonylContact C-O 3.48Å; S39-T51 WeakPolarHBondContact CA-O 3.33Å; E40-T51 PolarHBondContact N-O 2.83Å; E40-T51 PolarHBondContact O-N 2.78Å; T51-V58 HydrophobicContact CG2-CG1 3.83Å; T51-I59 CarbonylContact C-O 3.59Å; T51-I59 WeakPolarHBondContact CA-O 3.35Å
52V89Confident88.3Confident20 Ų2058.6 Ų58.612%0.12136%0.358CS..EExtended strand (participates in β ladder)trans-108117.2177.9-173.60000109.3V38 V50 I59V38-V52 CarbonylContact O-C 3.5Å; V38-V52 WeakPolarHBondContact O-CA 3.48Å; V50-V52 HydrophobicContact CG1-CG2 3.97Å; V52-I59 PolarHBondContact N-O 3.04Å; V52-I59 PolarHBondContact O-N 2.85Å
53T88.6Confident88.2Confident51 Ų5156.1 Ų56.131%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-108118177.1-59.70000109.5S37 V38 N57 V58S37-T53 CarbonylContact C-O 3.57Å; S37-T53 VanDerWaalsContact CA-O 3.28Å; S37-T53 WeakPolarHBondContact CA-O 3.41Å; V38-T53 PolarHBondContact N-O 3.16Å; V38-T53 PolarHBondContact O-N 3.38Å; T53-N57 CarbonylContact C-O 3.59Å; T53-N57 WeakPolarHBondContact CA-O 3.27Å; T53-V58 HydrophobicContact CG2-CG2 4.03Å
54T84.4Confident88.3Confident26 Ų2656 Ų5616%0.1635%0.348CS..EExtended strand (participates in β ladder)trans-127.1100.7177.7-50.30000109.3L35 S37 S56 N57L35-T54 HydrophobicContact CB-CG2 3.85Å; L35-T54 HydrophobicContact CD1-CG2 4.13Å; S37-T54 VanDerWaalsContact CB-OG1 3.24Å; S37-T54 WeakPolarHBondContact CB-OG1 3Å; T54-S56 PolarHBondContact O-N 3.33Å; T54-N57 PolarHBondContact N-O 2.79Å; T54-N57 PolarHBondContact O-N 3.14Å
55G81.8Confident88.4Confident44 Ų4452.2 Ų52.245%0.45432%0.324SS..THydrogen-bonded Turntrans59.7-118.6-172.200000111.4
56S79.3Confident88.5Confident126 Ų12652.2 Ų52.288%0.88132%0.324SS*.THydrogen-bonded Turntrans-87-8.1177.5-50.80000114.2T54T54-S56 PolarHBondContact O-N 3.33Å
57N79.9Confident88.5Confident104 Ų10453.9 Ų53.956%0.55633%0.326SS*.EExtended strand (participates in β ladder)trans-92.5130-179.5-67.5-71000110.4T53 T54T53-N57 CarbonylContact C-O 3.59Å; T53-N57 WeakPolarHBondContact CA-O 3.27Å; T54-N57 PolarHBondContact N-O 2.79Å; T54-N57 PolarHBondContact O-N 3.14Å
58V86.8Confident88.4Confident90 Ų9055.9 Ų55.955%0.54533%0.333SS..EExtended strand (participates in β ladder)trans-123.6121.3175.5-176.20000108.3T51 T53T51-V58 HydrophobicContact CG2-CG1 3.83Å; T53-V58 HydrophobicContact CG2-CG2 4.03Å
59I87.3Confident88.1Confident28 Ų2856.8 Ų56.814%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-117.3127.7178.5-58176.6000107.8T51 V52 Q72 L74T51-I59 CarbonylContact C-O 3.59Å; T51-I59 WeakPolarHBondContact CA-O 3.35Å; V52-I59 PolarHBondContact N-O 3.04Å; V52-I59 PolarHBondContact O-N 2.85Å; I59-Q72 HydrophobicContact CG2-CB 4.4Å; I59-Q72 HydrophobicContact CG2-CG 4.48Å; I59-L74 HydrophobicContact CD1-CD2 3.73Å; I59-L74 HydrophobicContact CD1-CG 4.42Å
60T89.4Confident88Confident66 Ų6657.3 Ų57.341%0.40534%0.342SS..EExtended strand (participates in β ladder)trans-118.4125.5177.5-54.80000109.4K49 V50K49-T60 HydrophobicContact CD-CG2 4.41Å; K49-T60 HydrophobicContact CG-CG2 4.12Å; V50-T60 WeakPolarHBondContact O-CA 3.4Å
61N90.1Very high87.7Confident23 Ų2356.7 Ų56.712%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-121.6131.6179-81.9-54.9000110K49 V50 L71 Q72K49-N61 CarbonylContact C-O 3.46Å; K49-N61 WeakPolarHBondContact CA-O 3.49Å; V50-N61 PolarHBondContact N-O 2.89Å; V50-N61 PolarHBondContact O-N 2.76Å; N61-L71 HydrophobicContact CB-CD2 3.86Å; N61-L71 WeakPolarHBondContact OD1-CA 3.49Å; N61-Q72 PolarHBondContact ND2-O 2.85Å; N61-Q72 PolarHBondContact OD1-N 2.82Å; N61-Q72 PolarHBondContact OD1-O 2.97Å
62S90.8Very high87.4Confident66 Ų6659.4 Ų59.446%0.46235%0.349SS..EExtended strand (participates in β ladder)trans-123.4130.3177.8-60.40000109.6F48 T69F48-S62 CarbonylContact O-C 3.55Å; F48-S62 WeakPolarHBondContact O-CA 3.3Å; S62-T69 PolarHBondContact O-OG1 2.9Å
63F90.3Very high86.8Confident23 Ų2360.2 Ų60.210%0.10136%0.355CS..EExtended strand (participates in β ladder)trans-150150.7-175.759.5-95.7000112.2F48 V50 I65 T69 L71 V83F48-F63 HydrophobicContact CB-CD1 4.37Å; F48-F63 HydrophobicContact CB-CD2 3.76Å; F48-F63 HydrophobicContact CB-CE1 4.02Å; F48-F63 HydrophobicContact CB-CE2 3.34Å; F48-F63 HydrophobicContact CB-CG 4.26Å; F48-F63 HydrophobicContact CB-CZ 3.49Å; F48-F63 VanDerWaalsContact CB-CZ 3.49Å; F48-F63 HydrophobicContact CD1-CE2 4.39Å; F48-F63 HydrophobicContact CD1-CZ 4.44Å; F48-F63 HydrophobicContact CD2-CE2 4.13Å; F48-F63 HydrophobicContact CG-CD2 4.39Å; F48-F63 AromaticContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CZ 4.07Å; F48-F63 PolarHBondContact N-O 3.12Å; F48-F63 PolarHBondContact O-N 2.9Å; V50-F63 HydrophobicContact CB-CE1 4.47Å; V50-F63 HydrophobicContact CG2-CE1 3.63Å; V50-F63 HydrophobicContact CG2-CZ 4.04Å; F63-I65 HydrophobicContact CD2-CD1 4.36Å; F63-I65 HydrophobicContact CE2-CD1 4.05Å; F63-T69 HydrophobicContact CB-CG2 3.31Å; F63-T69 HydrophobicContact CG-CG2 4.44Å; F63-L71 HydrophobicContact CB-CD2 4.11Å; F63-L71 HydrophobicContact CD1-CD2 3.71Å; F63-L71 HydrophobicContact CG-CD2 4.27Å; F63-V83 HydrophobicContact CB-CG2 4.24Å; F63-V83 HydrophobicContact CD1-CG2 4.48Å; F63-V83 HydrophobicContact CD2-CB 3.74Å; F63-V83 HydrophobicContact CD2-CG1 4.04Å; F63-V83 HydrophobicContact CD2-CG2 3.43Å; F63-V83 VanDerWaalsContact CD2-CG2 3.43Å; F63-V83 HydrophobicContact CE2-CB 3.92Å; F63-V83 HydrophobicContact CE2-CG1 3.66Å; F63-V83 HydrophobicContact CE2-CG2 3.78Å; F63-V83 HydrophobicContact CG-CG2 3.82Å; F63-V83 HydrophobicContact CZ-CG1 4.44Å; F63-V83 HydrophobicContact CZ-CG2 4.44Å
64T92.4Very high86Confident31 Ų3161.9 Ų61.919%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-108.6134.7174.7-42.90000109.3D46 D47 G66 K67D46-T64 HydrophobicContact CB-CG2 3.99Å; D46-T64 CarbonylContact O-C 3.46Å; D46-T64 VanDerWaalsContact O-CA 3.31Å; D46-T64 WeakPolarHBondContact O-CA 3.44Å; D47-T64 WeakPolarHBondContact OD1-CB 3.45Å; D47-T64 WeakPolarHBondContact OD1-CG2 3.39Å; D47-T64 PolarHBondContact OD1-OG1 2.91Å; T64-G66 PolarHBondContact O-N 2.96Å; T64-K67 HydrophobicContact CG2-CD 4.1Å; T64-K67 HydrophobicContact CG2-CG 4.44Å; T64-K67 PolarHBondContact O-N 3.46Å
65I91.6Very high85.4Confident28 Ų2863.4 Ų63.414%0.14437%0.371CS..THydrogen-bonded Turntrans-60.4134.5177-58.6-58.2000110.1D46 F48 F63 K67 V83 R85 L90D46-I65 HydrophobicContact CB-CB 4.46Å; D46-I65 PolarHBondContact O-N 2.81Å; F48-I65 HydrophobicContact CD2-CD1 3.84Å; F48-I65 HydrophobicContact CD2-CG1 3.68Å; F48-I65 HydrophobicContact CE2-CD1 3.75Å; F48-I65 HydrophobicContact CE2-CG1 3.38Å; F48-I65 HydrophobicContact CZ-CD1 4.47Å; F48-I65 HydrophobicContact CZ-CG1 4.37Å; F63-I65 HydrophobicContact CD2-CD1 4.36Å; F63-I65 HydrophobicContact CE2-CD1 4.05Å; I65-K67 PolarHBondContact O-N 2.81Å; I65-V83 CarbonylContact C-O 3.6Å; I65-V83 WeakPolarHBondContact CA-O 3.1Å; I65-V83 HydrophobicContact CD1-CB 4.03Å; I65-V83 HydrophobicContact CD1-CG1 3.62Å; I65-R85 HydrophobicContact CD1-CB 4.35Å; I65-R85 HydrophobicContact CG1-CB 4.4Å; I65-R85 HydrophobicContact CG2-CB 3.79Å; I65-L90 HydrophobicContact CD1-CD2 3.66Å
66G89Confident84.9Confident55 Ų5563.2 Ų63.257%0.56737%0.368SS*.THydrogen-bonded Turntrans762.717900000115.1T64 V83T64-G66 PolarHBondContact O-N 2.96Å; G66-V83 PolarHBondContact N-O 3.34Å
67K90.3Very high85Confident134 Ų13461.7 Ų61.758%0.58335%0.347SS*.SBendtrans-114.1151.4175.8-65.6-172.1179.1173.50111.7T64 I65 T69T64-K67 HydrophobicContact CG2-CD 4.1Å; T64-K67 HydrophobicContact CG2-CG 4.44Å; T64-K67 PolarHBondContact O-N 3.46Å; I65-K67 PolarHBondContact O-N 2.81Å; K67-T69 PolarHBondContact O-N 2.72Å
68E88.9Confident85.3Confident129 Ų12962.4 Ų62.460%0.60335%0.346SS*.EExtended strand (participates in β ladder)trans-64.7125.4167.9-175.1-179.4105.900108.8K80 V82E68-K80 HydrophobicContact CG-CB 4.37Å; E68-K80 WeakPolarHBondContact OE1-CD 3.5Å; E68-K80 IonicContact OE1-NZ 2.74Å; E68-K80 PolarHBondContact OE1-NZ 3.48Å; E68-V82 HydrophobicContact CB-CG2 4.4Å
69T86.9Confident85.2Confident22 Ų2258.6 Ų58.614%0.13532%0.322CS..EExtended strand (participates in β ladder)trans-130.9159.4175.9-172.20000110.2S62 F63 K67 L71 K80 G81 V83S62-T69 PolarHBondContact O-OG1 2.9Å; F63-T69 HydrophobicContact CB-CG2 3.31Å; F63-T69 HydrophobicContact CG-CG2 4.44Å; K67-T69 PolarHBondContact O-N 2.72Å; T69-L71 HydrophobicContact CG2-CD1 4.47Å; T69-L71 HydrophobicContact CG2-CD2 4.16Å; T69-L71 HydrophobicContact CG2-CG 4.01Å; T69-K80 CarbonylContact O-C 3.45Å; T69-K80 VanDerWaalsContact O-CA 3.27Å; T69-K80 WeakPolarHBondContact O-CA 3.45Å; T69-G81 WeakPolarHBondContact CG2-O 3.32Å; T69-G81 PolarHBondContact N-O 2.96Å; T69-G81 PolarHBondContact O-N 3.45Å; T69-V83 HydrophobicContact CG2-CG2 4.42Å
70E88.6Confident85.2Confident94 Ų9463.3 Ų63.344%0.43934%0.342SS..EExtended strand (participates in β ladder)trans-102.3113.2174.7-176.3176.588.500108.9K78E70-K78 VanDerWaalsContact CD-CD 3.43Å; E70-K78 HydrophobicContact CG-CB 3.66Å; E70-K78 HydrophobicContact CG-CD 3.89Å; E70-K78 HydrophobicContact CG-CG 4.38Å; E70-K78 WeakPolarHBondContact OE1-CD 3.3Å; E70-K78 IonicContact OE1-NZ 2.7Å; E70-K78 PolarHBondContact OE1-NZ 2.78Å
71L85.6Confident85.2Confident15 Ų1560.6 Ų60.68%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-103.4126.6178.5-63.9177.2000110N61 F63 T69 K78 V79 V83 V92 L94N61-L71 HydrophobicContact CB-CD2 3.86Å; N61-L71 WeakPolarHBondContact OD1-CA 3.49Å; F63-L71 HydrophobicContact CB-CD2 4.11Å; F63-L71 HydrophobicContact CD1-CD2 3.71Å; F63-L71 HydrophobicContact CG-CD2 4.27Å; T69-L71 HydrophobicContact CG2-CD1 4.47Å; T69-L71 HydrophobicContact CG2-CD2 4.16Å; T69-L71 HydrophobicContact CG2-CG 4.01Å; L71-K78 WeakPolarHBondContact O-CA 3.46Å; L71-V79 PolarHBondContact N-O 3.42Å; L71-V79 PolarHBondContact O-N 3.25Å; L71-V83 HydrophobicContact CD1-CG2 4.42Å; L71-V92 HydrophobicContact CD1-CG2 4.1Å; L71-L94 HydrophobicContact CB-CD2 4.3Å; L71-L94 HydrophobicContact CD1-CD1 4.03Å; L71-L94 HydrophobicContact CD1-CD2 4.01Å
72Q83.7Confident85.2Confident72 Ų7262.5 Ų62.534%0.33634%0.339SS..EExtended strand (participates in β ladder)trans-78.3124.4169.9-170.3173.341.800110.4I59 N61 K78I59-Q72 HydrophobicContact CG2-CB 4.4Å; I59-Q72 HydrophobicContact CG2-CG 4.48Å; N61-Q72 PolarHBondContact ND2-O 2.85Å; N61-Q72 PolarHBondContact OD1-N 2.82Å; N61-Q72 PolarHBondContact OD1-O 2.97Å; Q72-K78 HydrophobicContact CB-CG 4.4Å; Q72-K78 HydrophobicContact CG-CG 4.45Å
73T77.5Confident85.2Confident37 Ų3759.5 Ų59.523%0.22732%0.318CS..PPolyproline II helixtrans-86171.117565.10000111.3T75 G76 E77 V79T73-T75 PolarHBondContact O-N 3.04Å; T73-T75 PolarHBondContact OG1-OG1 2.74Å; T73-G76 PolarHBondContact O-N 3.15Å; T73-E77 WeakPolarHBondContact CB-O 3.49Å; T73-E77 PolarHBondContact N-O 3.08Å; T73-E77 PolarHBondContact OG1-N 2.86Å; T73-E77 PolarHBondContact OG1-O 3.05Å; T73-V79 HydrophobicContact CG2-CG2 3.84Å
74L70.8Confident85.2Confident86 Ų8662 Ų6245%0.4534%0.335SS..THydrogen-bonded Turntrans-63.4-21.7179.1-70.3158.6000113.7M19 V24 I59 G76M19-L74 HydrophobicContact CE-CD1 3.24Å; M19-L74 HydrophobicContact SD-CD1 3.65Å; V24-L74 HydrophobicContact CG2-CB 4.47Å; I59-L74 HydrophobicContact CD1-CD2 3.73Å; I59-L74 HydrophobicContact CD1-CG 4.42Å; L74-G76 PolarHBondContact O-N 2.78Å
75T71.8Confident85Confident59 Ų5964.6 Ų64.636%0.36234%0.341SS..THydrogen-bonded Turntrans-79.3-3.5174.158.70000112.5V24 T73 E77V24-T75 HydrophobicContact CB-CG2 4.28Å; V24-T75 HydrophobicContact CG2-CG2 3.4Å; T73-T75 PolarHBondContact O-N 3.04Å; T73-T75 PolarHBondContact OG1-OG1 2.74Å; T75-E77 PolarHBondContact O-N 2.81Å; T75-E77 WeakPolarHBondContact OG1-CB 3.27Å; T75-E77 PolarHBondContact OG1-N 3.32Å
76G72.9Confident84.9Confident39 Ų3967.3 Ų67.340%0.40236%0.356SS..SBendtrans81.7-7.8-170.800000113.4T73 L74T73-G76 PolarHBondContact O-N 3.15Å; L74-G76 PolarHBondContact O-N 2.78Å
77E80.8Confident84.7Confident94 Ų9467.6 Ų67.644%0.43936%0.359SS..  trans-68.7135.3176.2-167.9-179.4116.100110.2T73 T75 V79 K95T73-E77 WeakPolarHBondContact CB-O 3.49Å; T73-E77 PolarHBondContact N-O 3.08Å; T73-E77 PolarHBondContact OG1-N 2.86Å; T73-E77 PolarHBondContact OG1-O 3.05Å; T75-E77 PolarHBondContact O-N 2.81Å; T75-E77 WeakPolarHBondContact OG1-CB 3.27Å; T75-E77 PolarHBondContact OG1-N 3.32Å; E77-V79 HydrophobicContact CG-CG2 4.35Å; E77-K95 IonicContact OE1-NZ 2.81Å; E77-K95 PolarHBondContact OE1-NZ 2.75Å
78K85.2Confident84.6Confident120 Ų12064.5 Ų64.552%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-97.7126.2176.3-61.6-161.8-173.2177.50110.4E70 L71 Q72E70-K78 VanDerWaalsContact CD-CD 3.43Å; E70-K78 HydrophobicContact CG-CB 3.66Å; E70-K78 HydrophobicContact CG-CD 3.89Å; E70-K78 HydrophobicContact CG-CG 4.38Å; E70-K78 WeakPolarHBondContact OE1-CD 3.3Å; E70-K78 IonicContact OE1-NZ 2.7Å; E70-K78 PolarHBondContact OE1-NZ 2.78Å; L71-K78 WeakPolarHBondContact O-CA 3.46Å; Q72-K78 HydrophobicContact CB-CG 4.4Å; Q72-K78 HydrophobicContact CG-CG 4.45Å
79V85.6Confident84.7Confident9 Ų961 Ų616%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-125131.8-174.7-172.20000109.1L71 T73 E77 L94 K95L71-V79 PolarHBondContact N-O 3.42Å; L71-V79 PolarHBondContact O-N 3.25Å; T73-V79 HydrophobicContact CG2-CG2 3.84Å; E77-V79 HydrophobicContact CG-CG2 4.35Å; V79-L94 HydrophobicContact CB-CD2 4.1Å; V79-L94 HydrophobicContact CG1-CB 3.96Å; V79-L94 HydrophobicContact CG1-CD2 3.96Å; V79-K95 HydrophobicContact CG1-CB 4.04Å; V79-K95 HydrophobicContact CG1-CD 3.85Å; V79-K95 HydrophobicContact CG1-CG 3.61Å; V79-K95 HydrophobicContact CG2-CD 4.2Å
80K87.9Confident84.9Confident128 Ų12860.6 Ų60.656%0.55733%0.328SS*.EExtended strand (participates in β ladder)trans-76.8136.1174-69.4178.6164.1-145.90110.5E68 T69E68-K80 HydrophobicContact CG-CB 4.37Å; E68-K80 WeakPolarHBondContact OE1-CD 3.5Å; E68-K80 IonicContact OE1-NZ 2.74Å; E68-K80 PolarHBondContact OE1-NZ 3.48Å; T69-K80 CarbonylContact O-C 3.45Å; T69-K80 VanDerWaalsContact O-CA 3.27Å; T69-K80 WeakPolarHBondContact O-CA 3.45Å
81G88.5Confident85Confident8 Ų860.3 Ų60.38%0.08233%0.326CS..EExtended strand (participates in β ladder)trans-157.3166.2176.200000111.6T69T69-G81 WeakPolarHBondContact CG2-O 3.32Å; T69-G81 PolarHBondContact N-O 2.96Å; T69-G81 PolarHBondContact O-N 3.45Å
82V90.4Very high85.2Confident63 Ų6360.4 Ų60.438%0.38233%0.327SS..EExtended strand (participates in β ladder)trans-116121.9175.3-177.80000107.8E68 V84E68-V82 HydrophobicContact CB-CG2 4.4Å; V82-V84 HydrophobicContact CG1-CG2 4.32Å
83V90.4Very high85.3Confident3 Ų360.1 Ų60.12%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-89.5127.1175.5-1700000108.8F63 I65 G66 T69 L71 L90 K91 V92F63-V83 HydrophobicContact CB-CG2 4.24Å; F63-V83 HydrophobicContact CD1-CG2 4.48Å; F63-V83 HydrophobicContact CD2-CB 3.74Å; F63-V83 HydrophobicContact CD2-CG1 4.04Å; F63-V83 HydrophobicContact CD2-CG2 3.43Å; F63-V83 VanDerWaalsContact CD2-CG2 3.43Å; F63-V83 HydrophobicContact CE2-CB 3.92Å; F63-V83 HydrophobicContact CE2-CG1 3.66Å; F63-V83 HydrophobicContact CE2-CG2 3.78Å; F63-V83 HydrophobicContact CG-CG2 3.82Å; F63-V83 HydrophobicContact CZ-CG1 4.44Å; F63-V83 HydrophobicContact CZ-CG2 4.44Å; I65-V83 CarbonylContact C-O 3.6Å; I65-V83 WeakPolarHBondContact CA-O 3.1Å; I65-V83 HydrophobicContact CD1-CB 4.03Å; I65-V83 HydrophobicContact CD1-CG1 3.62Å; G66-V83 PolarHBondContact N-O 3.34Å; T69-V83 HydrophobicContact CG2-CG2 4.42Å; L71-V83 HydrophobicContact CD1-CG2 4.42Å; V83-L90 HydrophobicContact CG1-CB 4.31Å; V83-L90 HydrophobicContact CG1-CD2 4.4Å; V83-K91 CarbonylContact C-O 3.6Å; V83-K91 WeakPolarHBondContact CA-O 3.27Å; V83-V92 HydrophobicContact CB-CB 4.43Å; V83-V92 HydrophobicContact CG1-CB 4.44Å; V83-V92 HydrophobicContact CG2-CB 3.96Å; V83-V92 HydrophobicContact CG2-CG2 3.77Å
84V90.6Very high85.5Confident77 Ų7759.3 Ų59.347%0.46733%0.327SS..EExtended strand (participates in β ladder)trans-116129.9179.3-176.20000108.8V82 L90 K91V82-V84 HydrophobicContact CG1-CG2 4.32Å; V84-L90 WeakPolarHBondContact O-CA 3.06Å; V84-K91 PolarHBondContact N-O 3.43Å; V84-K91 PolarHBondContact O-N 3.42Å
85R89Confident85.8Confident84 Ų8462.8 Ų62.832%0.31734%0.338SS..EExtended strand (participates in β ladder)trans-93.2129174.2-172.8-179.8-173159.49.3109.9E43 I65 L90E43-R85 IonicContact OE1-CZ 2.81Å; E43-R85 IonicContact OE1-NH1 3.88Å; E43-R85 PolarHBondContact OE1-NH1 2.87Å; E43-R85 IonicContact OE1-NH2 3.42Å; E43-R85 PolarHBondContact OE1-NH2 2.7Å; E43-R85 VanDerWaalsContact OE1-NH2 3.11Å; E43-R85 IonicContact OE2-NH2 2.8Å; I65-R85 HydrophobicContact CD1-CB 4.35Å; I65-R85 HydrophobicContact CG1-CB 4.4Å; I65-R85 HydrophobicContact CG2-CB 3.79Å; R85-L90 HydrophobicContact CB-CD2 3.81Å; R85-L90 HydrophobicContact CG-CD2 3.87Å
86D87.9Confident86.2Confident86 Ų8662.6 Ų62.646%0.4635%0.348SS..EExtended strand (participates in β ladder)trans-129.883-179.6-172-141.2000107.8N88 K89 K91D86-N88 PolarHBondContact O-N 3.42Å; D86-N88 VanDerWaalsContact O-N 3.1Å; D86-K89 PolarHBondContact N-O 2.88Å; D86-K89 PolarHBondContact O-N 3.22Å; D86-K91 IonicContact OD1-NZ 2.94Å; D86-K91 PolarHBondContact OD1-NZ 2.77Å
87G86.5Confident86.8Confident61 Ų6162.3 Ų62.363%0.62934%0.337SS*.THydrogen-bonded Turntrans61.9-109.5-174.600000113.2
88N87.8Confident87.2Confident68 Ų6863.6 Ų63.636%0.36434%0.343SS..THydrogen-bonded Turntrans-94.513.3177.272-34.8000113.1F3 D86 L103F3-N88 VanDerWaalsContact CZ-O 3.26Å; F3-N88 WeakPolarHBondContact CZ-O 3.47Å; D86-N88 PolarHBondContact O-N 3.42Å; D86-N88 VanDerWaalsContact O-N 3.1Å; N88-L103 PolarHBondContact ND2-O 2.74Å; N88-L103 PolarHBondContact O-N 3.44Å
89K90.8Very high87.5Confident57 Ų5758.4 Ų58.425%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-121.7143.3178.6-47.9-167.2-169.2-149.10111.3D86 T101 E102D86-K89 PolarHBondContact N-O 2.88Å; D86-K89 PolarHBondContact O-N 3.22Å; K89-T101 CarbonylContact C-O 3.51Å; K89-T101 VanDerWaalsContact CA-O 3.26Å; K89-T101 WeakPolarHBondContact CA-O 3.19Å; K89-E102 HydrophobicContact CD-CB 4.3Å; K89-E102 HydrophobicContact CD-CG 4.22Å; K89-E102 WeakPolarHBondContact CE-OE1 3.22Å; K89-E102 WeakPolarHBondContact CE-OE2 3.2Å; K89-E102 HydrophobicContact CG-CB 4.08Å; K89-E102 HydrophobicContact CG-CG 4Å; K89-E102 IonicContact NZ-OE1 3.43Å; K89-E102 PolarHBondContact NZ-OE1 2.87Å; K89-E102 IonicContact NZ-OE2 3.11Å; K89-E102 PolarHBondContact NZ-OE2 2.77Å
90L90.1Very high87.8Confident12 Ų1260 Ų606%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-113.5123.3169.3-63.5171.9000107.6F3 F48 I65 V83 V84 R85 V100 T101F3-L90 HydrophobicContact CD1-CD1 4.39Å; F3-L90 HydrophobicContact CD2-CD1 4.11Å; F3-L90 HydrophobicContact CD2-CG 4.45Å; F3-L90 HydrophobicContact CE1-CD1 4.3Å; F3-L90 HydrophobicContact CE1-CG 4.46Å; F3-L90 HydrophobicContact CE2-CD1 4.03Å; F3-L90 HydrophobicContact CE2-CD2 4.43Å; F3-L90 HydrophobicContact CE2-CG 3.9Å; F3-L90 HydrophobicContact CG-CD1 4.27Å; F3-L90 HydrophobicContact CZ-CD1 4.11Å; F3-L90 HydrophobicContact CZ-CG 3.89Å; F48-L90 HydrophobicContact CD1-CD1 4.34Å; F48-L90 HydrophobicContact CE1-CD1 4.04Å; F48-L90 HydrophobicContact CZ-CD2 4.43Å; I65-L90 HydrophobicContact CD1-CD2 3.66Å; V83-L90 HydrophobicContact CG1-CB 4.31Å; V83-L90 HydrophobicContact CG1-CD2 4.4Å; V84-L90 WeakPolarHBondContact O-CA 3.06Å; R85-L90 HydrophobicContact CB-CD2 3.81Å; R85-L90 HydrophobicContact CG-CD2 3.87Å; L90-V100 CarbonylContact O-C 3.49Å; L90-V100 WeakPolarHBondContact O-CA 3.45Å; L90-T101 PolarHBondContact N-O 2.86Å; L90-T101 PolarHBondContact O-N 2.84Å
91K91.8Very high87.9Confident89 Ų8955 Ų5539%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-114.6133.6179.2-64.5172.2177.8159.20108.6V83 V84 D86 S99 V100V83-K91 CarbonylContact C-O 3.6Å; V83-K91 WeakPolarHBondContact CA-O 3.27Å; V84-K91 PolarHBondContact N-O 3.43Å; V84-K91 PolarHBondContact O-N 3.42Å; D86-K91 IonicContact OD1-NZ 2.94Å; D86-K91 PolarHBondContact OD1-NZ 2.77Å; K91-S99 CarbonylContact C-O 3.59Å; K91-S99 WeakPolarHBondContact CA-O 3.44Å; K91-V100 HydrophobicContact CG-CG1 4.16Å; K91-V100 HydrophobicContact CG-CG2 4.19Å
92V89.8Confident88.1Confident17 Ų1757.4 Ų57.410%0.10332%0.321CS..EExtended strand (participates in β ladder)trans-141.2137.9174.963.30000109.4L71 V83 L94 S99L71-V92 HydrophobicContact CD1-CG2 4.1Å; V83-V92 HydrophobicContact CB-CB 4.43Å; V83-V92 HydrophobicContact CG1-CB 4.44Å; V83-V92 HydrophobicContact CG2-CB 3.96Å; V83-V92 HydrophobicContact CG2-CG2 3.77Å; V92-L94 HydrophobicContact CG1-CD1 4.33Å; V92-L94 HydrophobicContact CG2-CD1 4.34Å; V92-L94 HydrophobicContact CG2-CD2 4.24Å; V92-L94 HydrophobicContact CG2-CG 3.99Å; V92-S99 PolarHBondContact N-O 2.96Å; V92-S99 PolarHBondContact O-N 3Å
93S85.6Confident88.1Confident66 Ų6654.6 Ų54.646%0.46230%0.304SS..EExtended strand (participates in β ladder)trans-112127.5173.3-169.30000109.8I97S93-I97 CarbonylContact C-O 3.54Å; S93-I97 WeakPolarHBondContact CA-O 3.37Å
94L82.5Confident88Confident20 Ų2057.4 Ų57.411%0.10532%0.321CS..EExtended strand (participates in β ladder)trans-133.5104.8-174.1-65.8161.8000109.2L71 V79 V92 G96 I97L71-L94 HydrophobicContact CB-CD2 4.3Å; L71-L94 HydrophobicContact CD1-CD1 4.03Å; L71-L94 HydrophobicContact CD1-CD2 4.01Å; V79-L94 HydrophobicContact CB-CD2 4.1Å; V79-L94 HydrophobicContact CG1-CB 3.96Å; V79-L94 HydrophobicContact CG1-CD2 3.96Å; V92-L94 HydrophobicContact CG1-CD1 4.33Å; V92-L94 HydrophobicContact CG2-CD1 4.34Å; V92-L94 HydrophobicContact CG2-CD2 4.24Å; V92-L94 HydrophobicContact CG2-CG 3.99Å; L94-G96 PolarHBondContact O-N 2.78Å; L94-I97 PolarHBondContact N-O 2.76Å; L94-I97 WeakPolarHBondContact O-CA 3.29Å; L94-I97 VanDerWaalsContact O-CB 3.28Å; L94-I97 WeakPolarHBondContact O-CB 3.19Å; L94-I97 PolarHBondContact O-N 2.85Å
95K75.9Confident87.7Confident158 Ų15858.2 Ų58.269%0.68732%0.323SS*.THydrogen-bonded Turntrans46.241.2177.5-80.8-178.1176.1-175.20114.2E77 V79E77-K95 IonicContact OE1-NZ 2.81Å; E77-K95 PolarHBondContact OE1-NZ 2.75Å; V79-K95 HydrophobicContact CG1-CB 4.04Å; V79-K95 HydrophobicContact CG1-CD 3.85Å; V79-K95 HydrophobicContact CG1-CG 3.61Å; V79-K95 HydrophobicContact CG2-CD 4.2Å
96G79.7Confident87.3Confident55 Ų5557 Ų5757%0.56733%0.33SS*.THydrogen-bonded Turntrans85.13.6-178.900000115.3L94L94-G96 PolarHBondContact O-N 2.78Å
97I86.1Confident87.4Confident33 Ų3357.2 Ų57.217%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-93.4121.9166.9-53.6170.4000108.1F18 V22 S93 L94 M113 T114 V115F18-I97 HydrophobicContact CE2-CG2 4.16Å; F18-I97 HydrophobicContact CZ-CG2 3.96Å; V22-I97 HydrophobicContact CG1-CD1 3.66Å; V22-I97 HydrophobicContact CG1-CG1 4.46Å; S93-I97 CarbonylContact C-O 3.54Å; S93-I97 WeakPolarHBondContact CA-O 3.37Å; L94-I97 PolarHBondContact N-O 2.76Å; L94-I97 WeakPolarHBondContact O-CA 3.29Å; L94-I97 VanDerWaalsContact O-CB 3.28Å; L94-I97 WeakPolarHBondContact O-CB 3.19Å; L94-I97 PolarHBondContact O-N 2.85Å; I97-M113 HydrophobicContact CG2-CB 4.44Å; I97-T114 CarbonylContact C-O 3.5Å; I97-T114 VanDerWaalsContact CA-O 3.3Å; I97-T114 WeakPolarHBondContact CA-O 3.39Å; I97-V115 HydrophobicContact CG1-CB 4.17Å; I97-V115 HydrophobicContact CG1-CG2 4.02Å
98E89.9Confident87.6Confident121 Ų12155.3 Ų55.357%0.56531%0.308SS*.EExtended strand (participates in β ladder)trans-97.7117.5171.5-65.3-171.592.800109.4M113 T114E98-M113 CarbonylContact O-C 3.55Å; E98-M113 VanDerWaalsContact O-CA 3.25Å; E98-M113 WeakPolarHBondContact O-CA 3.45Å; E98-T114 PolarHBondContact N-O 3.43Å; E98-T114 PolarHBondContact O-N 3.31Å
99S89.9Confident87.8Confident12 Ų1252.4 Ų52.48%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-111.6126.2175.9175.10000109.8K91 V92 N111 T112K91-S99 CarbonylContact C-O 3.59Å; K91-S99 WeakPolarHBondContact CA-O 3.44Å; V92-S99 PolarHBondContact N-O 2.96Å; V92-S99 PolarHBondContact O-N 3Å; S99-N111 PolarHBondContact OG-ND2 3.39Å; S99-N111 VanDerWaalsContact OG-ND2 3.14Å; S99-T112 CarbonylContact C-O 3.56Å; S99-T112 WeakPolarHBondContact CA-O 3.44Å
100V92.5Very high87.9Confident42 Ų4250.6 Ų50.626%0.25529%0.286SS..EExtended strand (participates in β ladder)trans-122.8115.4179.9-175.20000108.2L90 K91 N111 T112L90-V100 CarbonylContact O-C 3.49Å; L90-V100 WeakPolarHBondContact O-CA 3.45Å; K91-V100 HydrophobicContact CG-CG1 4.16Å; K91-V100 HydrophobicContact CG-CG2 4.19Å; V100-N111 CarbonylContact O-C 3.46Å; V100-N111 WeakPolarHBondContact O-CA 3.35Å; V100-N111 PolarHBondContact O-ND2 2.98Å; V100-T112 PolarHBondContact N-O 3.48Å; V100-T112 PolarHBondContact O-N 3.45Å
101T91.1Very high88Confident24 Ų2450.2 Ų50.215%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-105.2114.1173.6-53.30000108.9F3 K89 L90 V110 N111F3-T101 HydrophobicContact CE1-CG2 4.16Å; K89-T101 CarbonylContact C-O 3.51Å; K89-T101 VanDerWaalsContact CA-O 3.26Å; K89-T101 WeakPolarHBondContact CA-O 3.19Å; L90-T101 PolarHBondContact N-O 2.86Å; L90-T101 PolarHBondContact O-N 2.84Å; T101-V110 CarbonylContact C-O 3.56Å; T101-V110 WeakPolarHBondContact CA-O 3.17Å; T101-N111 HydrophobicContact CG2-CB 4.47Å; T101-N111 PolarHBondContact OG1-ND2 3.49Å
102E92.3Very high88Confident57 Ų5747.8 Ų47.827%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-110.3130178.6175.2165-162.300110.2K89 T104 I109 V110K89-E102 HydrophobicContact CD-CB 4.3Å; K89-E102 HydrophobicContact CD-CG 4.22Å; K89-E102 WeakPolarHBondContact CE-OE1 3.22Å; K89-E102 WeakPolarHBondContact CE-OE2 3.2Å; K89-E102 HydrophobicContact CG-CB 4.08Å; K89-E102 HydrophobicContact CG-CG 4Å; K89-E102 IonicContact NZ-OE1 3.43Å; K89-E102 PolarHBondContact NZ-OE1 2.87Å; K89-E102 IonicContact NZ-OE2 3.11Å; K89-E102 PolarHBondContact NZ-OE2 2.77Å; E102-T104 HydrophobicContact CG-CG2 4.2Å; E102-T104 PolarHBondContact O-N 2.7Å; E102-I109 CarbonylContact O-C 3.57Å; E102-I109 WeakPolarHBondContact O-CA 3.35Å; E102-V110 PolarHBondContact N-O 3.18Å; E102-V110 PolarHBondContact O-N 2.94Å
103L90.4Very high88.1Confident5 Ų548.5 Ų48.53%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-85.8100.2168.2-17271.7000107.7M1 F3 N88 D105 I109M1-L103 HydrophobicContact CB-CD2 3.84Å; F3-L103 HydrophobicContact CD1-CB 4.15Å; F3-L103 HydrophobicContact CD1-CD1 4.47Å; F3-L103 HydrophobicContact CE1-CB 3.61Å; F3-L103 HydrophobicContact CZ-CB 3.97Å; N88-L103 PolarHBondContact ND2-O 2.74Å; N88-L103 PolarHBondContact O-N 3.44Å; L103-D105 WeakPolarHBondContact CD1-O 3.42Å; L103-D105 WeakPolarHBondContact CG-O 3.24Å; L103-I109 HydrophobicContact CD1-CG2 3.47Å; L103-I109 VanDerWaalsContact CD1-CG2 3.47Å
104T87.3Confident88.4Confident62 Ų6247.2 Ų47.238%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-75-35.8179.762.30000111.1E102 T108 V110E102-T104 HydrophobicContact CG-CG2 4.2Å; E102-T104 PolarHBondContact O-N 2.7Å; T104-T108 PolarHBondContact N-O 3.24Å; T104-T108 WeakPolarHBondContact OG1-CB 3.16Å; T104-T108 WeakPolarHBondContact OG1-CG2 2.65Å; T104-T108 PolarHBondContact OG1-O 2.81Å; T104-V110 HydrophobicContact CG2-CB 4.19Å; T104-V110 HydrophobicContact CG2-CG2 3.56Å
105D85.4Confident88.7Confident94 Ų9447.7 Ų47.750%0.50327%0.272SS..EExtended strand (participates in β ladder)trans-144.7167.6-178-57.4-89.5000109.8L103 N107 T108L103-D105 WeakPolarHBondContact CD1-O 3.42Å; L103-D105 WeakPolarHBondContact CG-O 3.24Å; D105-N107 PolarHBondContact O-N 3.11Å; D105-T108 PolarHBondContact N-O 2.89Å; D105-T108 PolarHBondContact O-N 2.82Å; D105-T108 VanDerWaalsContact O-N 3.12Å
106A81.1Confident89.2Confident57 Ų5743.6 Ų43.647%0.47128%0.275SS..THydrogen-bonded Turntrans-54.5-22.3177.400000114.1
107N88.6Confident89.6Confident91 Ų9146.6 Ų46.649%0.48729%0.288SS..THydrogen-bonded Turntrans-121.83-177.7-62.9-34.3000113.7D105 K125 R126D105-N107 PolarHBondContact O-N 3.11Å; N107-K125 CarbonylContact O-C 3.57Å; N107-K125 VanDerWaalsContact O-CA 3.29Å; N107-K125 WeakPolarHBondContact O-CA 3.44Å; N107-R126 HydrophobicContact CB-CB 3.82Å; N107-R126 WeakPolarHBondContact O-CB 3.29Å; N107-R126 PolarHBondContact O-N 2.71Å; N107-R126 VanDerWaalsContact OD1-CD 3.27Å; N107-R126 WeakPolarHBondContact OD1-CD 3.47Å
108T91.2Very high89.8Confident21 Ų2147 Ų4713%0.12929%0.289CS..EExtended strand (participates in β ladder)trans-130.3124.4-173.6-49.70000110.5T104 D105 I123 K125T104-T108 PolarHBondContact N-O 3.24Å; T104-T108 WeakPolarHBondContact OG1-CB 3.16Å; T104-T108 WeakPolarHBondContact OG1-CG2 2.65Å; T104-T108 PolarHBondContact OG1-O 2.81Å; D105-T108 PolarHBondContact N-O 2.89Å; D105-T108 PolarHBondContact O-N 2.82Å; D105-T108 VanDerWaalsContact O-N 3.12Å; T108-I123 HydrophobicContact CG2-CG2 3.89Å; T108-K125 HydrophobicContact CG2-CG 4.4Å
109I92.5Very high89.9Confident8 Ų844.3 Ų44.34%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-112.8136.5172.161173.5000109.6F3 Y7 I41 E102 L103 S124F3-I109 HydrophobicContact CD1-CG2 4.35Å; Y7-I109 HydrophobicContact CD1-CB 4.41Å; Y7-I109 HydrophobicContact CD1-CD1 3.91Å; Y7-I109 HydrophobicContact CD1-CG1 3.72Å; Y7-I109 HydrophobicContact CD1-CG2 4Å; Y7-I109 HydrophobicContact CD2-CD1 3.82Å; Y7-I109 HydrophobicContact CE1-CB 4.45Å; Y7-I109 HydrophobicContact CE1-CD1 4.46Å; Y7-I109 HydrophobicContact CE1-CG1 4.24Å; Y7-I109 HydrophobicContact CE1-CG2 3.59Å; Y7-I109 HydrophobicContact CE2-CD1 4.39Å; Y7-I109 HydrophobicContact CE2-CG2 4.43Å; Y7-I109 HydrophobicContact CG-CD1 3.55Å; Y7-I109 HydrophobicContact CG-CG1 3.9Å; I41-I109 HydrophobicContact CD1-CD1 4.11Å; E102-I109 CarbonylContact O-C 3.57Å; E102-I109 WeakPolarHBondContact O-CA 3.35Å; L103-I109 HydrophobicContact CD1-CG2 3.47Å; L103-I109 VanDerWaalsContact CD1-CG2 3.47Å; I109-S124 PolarHBondContact N-O 3.22Å; I109-S124 PolarHBondContact O-N 3.05Å
110V92.9Very high90Very high18 Ų1844.1 Ų44.111%0.10928%0.279CS..EExtended strand (participates in β ladder)trans-113.8119.3171.5178.70000107.1T101 E102 T104 K121 R122 I123T101-V110 CarbonylContact C-O 3.56Å; T101-V110 WeakPolarHBondContact CA-O 3.17Å; E102-V110 PolarHBondContact N-O 3.18Å; E102-V110 PolarHBondContact O-N 2.94Å; T104-V110 HydrophobicContact CG2-CB 4.19Å; T104-V110 HydrophobicContact CG2-CG2 3.56Å; V110-K121 HydrophobicContact CG1-CD 4.39Å; V110-K121 HydrophobicContact CG1-CG 4.04Å; V110-R122 CarbonylContact C-O 3.54Å; V110-R122 WeakPolarHBondContact CA-O 3.32Å; V110-I123 HydrophobicContact CG2-CG1 4.28Å; V110-I123 HydrophobicContact CG2-CG2 4.35Å
111N91.6Very high90Very high4 Ų445.9 Ų45.92%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-110.7122.9173.7174.1-107.7000109.5S99 V100 T101 M113 R122S99-N111 PolarHBondContact OG-ND2 3.39Å; S99-N111 VanDerWaalsContact OG-ND2 3.14Å; V100-N111 CarbonylContact O-C 3.46Å; V100-N111 WeakPolarHBondContact O-CA 3.35Å; V100-N111 PolarHBondContact O-ND2 2.98Å; T101-N111 HydrophobicContact CG2-CB 4.47Å; T101-N111 PolarHBondContact OG1-ND2 3.49Å; N111-M113 WeakPolarHBondContact OD1-CE 3.36Å; N111-R122 HydrophobicContact CB-CG 3.77Å; N111-R122 PolarHBondContact N-O 2.69Å; N111-R122 WeakPolarHBondContact O-CG 3.5Å; N111-R122 PolarHBondContact O-N 2.88Å; N111-R122 PolarHBondContact OD1-NE 3.26Å; N111-R122 PolarHBondContact OD1-NH2 3.48Å
112T92.6Very high90Very high38 Ų3846.7 Ų46.723%0.23328%0.284CS..EExtended strand (participates in β ladder)trans-116.1118.2-179.2-57.80000108.4S99 V100 V119 Y120S99-T112 CarbonylContact C-O 3.56Å; S99-T112 WeakPolarHBondContact CA-O 3.44Å; V100-T112 PolarHBondContact N-O 3.48Å; V100-T112 PolarHBondContact O-N 3.45Å; T112-V119 HydrophobicContact CG2-CG1 3.75Å; T112-Y120 CarbonylContact C-O 3.44Å; T112-Y120 VanDerWaalsContact CA-O 3.29Å; T112-Y120 WeakPolarHBondContact CA-O 3.21Å
113M91.1Very high90Very high33 Ų3346 Ų4616%0.16328%0.281CS..EExtended strand (participates in β ladder)trans-111.8131.1175-54.3-175.2-173.300109.4F18 I97 E98 N111 Y120F18-M113 HydrophobicContact CD2-CB 4.43Å; F18-M113 HydrophobicContact CE1-CB 4.39Å; F18-M113 HydrophobicContact CE1-SD 3.88Å; F18-M113 HydrophobicContact CE2-CB 3.63Å; F18-M113 HydrophobicContact CZ-CB 3.61Å; F18-M113 HydrophobicContact CZ-CG 4.34Å; F18-M113 HydrophobicContact CZ-SD 3.77Å; I97-M113 HydrophobicContact CG2-CB 4.44Å; E98-M113 CarbonylContact O-C 3.55Å; E98-M113 VanDerWaalsContact O-CA 3.25Å; E98-M113 WeakPolarHBondContact O-CA 3.45Å; N111-M113 WeakPolarHBondContact OD1-CE 3.36Å; M113-Y120 HydrophobicContact CB-CD1 4.12Å; M113-Y120 HydrophobicContact CG-CD1 4.08Å; M113-Y120 PolarHBondContact N-O 2.89Å; M113-Y120 PolarHBondContact O-N 3.14Å; M113-Y120 HydrophobicContact SD-CD1 4.04Å; M113-Y120 HydrophobicContact SD-CE1 4.42Å
114T91.4Very high90.1Very high38 Ų3845.8 Ų45.823%0.23328%0.28CS..EExtended strand (participates in β ladder)trans-121.3131.3-179.3-52.20000109.2I97 E98 I118 V119I97-T114 CarbonylContact C-O 3.5Å; I97-T114 VanDerWaalsContact CA-O 3.3Å; I97-T114 WeakPolarHBondContact CA-O 3.39Å; E98-T114 PolarHBondContact N-O 3.43Å; E98-T114 PolarHBondContact O-N 3.31Å; T114-I118 CarbonylContact C-O 3.56Å; T114-I118 VanDerWaalsContact CA-O 3.32Å; T114-I118 WeakPolarHBondContact CA-O 3.24Å; T114-V119 HydrophobicContact CG2-CG2 4.03Å
115V89.1Confident90.4Very high30 Ų3047.1 Ų47.118%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-135112.3173.961.90000108.8F18 A21 I97 S117 I118F18-V115 HydrophobicContact CD2-CG1 3.59Å; F18-V115 HydrophobicContact CE2-CB 4.08Å; F18-V115 HydrophobicContact CE2-CG1 3.63Å; A21-V115 HydrophobicContact CB-CG1 4.04Å; I97-V115 HydrophobicContact CG1-CB 4.17Å; I97-V115 HydrophobicContact CG1-CG2 4.02Å; V115-S117 PolarHBondContact O-N 3.43Å; V115-S117 VanDerWaalsContact O-N 3.12Å; V115-I118 HydrophobicContact CG1-CB 4.03Å; V115-I118 HydrophobicContact CG1-CG2 4.47Å; V115-I118 PolarHBondContact N-O 3.03Å; V115-I118 PolarHBondContact O-N 3.31Å
116G87.3Confident90.7Very high73 Ų7347.8 Ų47.875%0.75328%0.276SS*.THydrogen-bonded Turntrans56.6-116.4-171.500000111.5
117S87.6Confident90.8Very high118 Ų11852.5 Ų52.583%0.82529%0.291SS*.THydrogen-bonded Turntrans-94.90.4177.259.80000114.4V115V115-S117 PolarHBondContact O-N 3.43Å; V115-S117 VanDerWaalsContact O-N 3.12Å
118I91Very high90.9Very high40 Ų4050.6 Ų50.621%0.20528%0.281CS..EExtended strand (participates in β ladder)trans-97.1126.3-175.7-61.5162.7000109.1V17 F18 A21 T114 V115V17-I118 HydrophobicContact CB-CG2 4.41Å; V17-I118 HydrophobicContact CG1-CD1 3.89Å; V17-I118 HydrophobicContact CG1-CG1 4.01Å; V17-I118 HydrophobicContact CG1-CG2 3.91Å; F18-I118 HydrophobicContact CB-CG2 4.07Å; F18-I118 HydrophobicContact CD2-CG2 4.39Å; A21-I118 HydrophobicContact CB-CD1 3.43Å; A21-I118 VanDerWaalsContact CB-CD1 3.43Å; T114-I118 CarbonylContact C-O 3.56Å; T114-I118 VanDerWaalsContact CA-O 3.32Å; T114-I118 WeakPolarHBondContact CA-O 3.24Å; V115-I118 HydrophobicContact CG1-CB 4.03Å; V115-I118 HydrophobicContact CG1-CG2 4.47Å; V115-I118 PolarHBondContact N-O 3.03Å; V115-I118 PolarHBondContact O-N 3.31Å
119V92.1Very high90.9Very high66 Ų6652.2 Ų52.240%0.429%0.289SS..EExtended strand (participates in β ladder)trans-115.7112.6177.3-177.10000109.1N14 T112 T114N14-V119 VanDerWaalsContact CB-O 3.27Å; N14-V119 WeakPolarHBondContact CB-O 3.28Å; N14-V119 PolarHBondContact ND2-O 3.18Å; T112-V119 HydrophobicContact CG2-CG1 3.75Å; T114-V119 HydrophobicContact CG2-CG2 4.03Å
120Y90.9Very high90.8Very high8 Ų854.6 Ų54.63%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-93.6128.9170.2172.3-125.8000109.7H12 E13 F15 F18 T112 M113 R122H12-Y120 HydrophobicContact CB-CE2 3.9Å; E13-Y120 WeakPolarHBondContact O-CD2 3.41Å; F15-Y120 HydrophobicContact CB-CD2 4.19Å; F15-Y120 HydrophobicContact CB-CE2 3.69Å; F15-Y120 AromaticContact CD2-CE2 3.88Å; F15-Y120 HydrophobicContact CD2-CE2 3.88Å; F15-Y120 AromaticContact CD2-CZ 3.85Å; F15-Y120 HydrophobicContact CG-CE2 4.3Å; F18-Y120 HydrophobicContact CB-CG 4.16Å; F18-Y120 HydrophobicContact CD1-CD1 4.12Å; F18-Y120 HydrophobicContact CD1-CG 4.21Å; F18-Y120 HydrophobicContact CE1-CD1 4.38Å; F18-Y120 HydrophobicContact CG-CD1 4.38Å; F18-Y120 HydrophobicContact CG-CG 4.05Å; T112-Y120 CarbonylContact C-O 3.44Å; T112-Y120 VanDerWaalsContact CA-O 3.29Å; T112-Y120 WeakPolarHBondContact CA-O 3.21Å; M113-Y120 HydrophobicContact CB-CD1 4.12Å; M113-Y120 HydrophobicContact CG-CD1 4.08Å; M113-Y120 PolarHBondContact N-O 2.89Å; M113-Y120 PolarHBondContact O-N 3.14Å; M113-Y120 HydrophobicContact SD-CD1 4.04Å; M113-Y120 HydrophobicContact SD-CE1 4.42Å; Y120-R122 HydrophobicContact CE1-CB 4.37Å; Y120-R122 HydrophobicContact CE1-CG 4.15Å; Y120-R122 HydrophobicContact CE2-CB 4.47Å
121K92.1Very high90.7Very high78 Ų7856.8 Ų56.834%0.33931%0.314SS..EExtended strand (participates in β ladder)trans-126.5133.8176.5-171.7179.8178.2-170.60109.3H12 E13 V110H12-K121 CarbonylContact C-O 3.55Å; H12-K121 WeakPolarHBondContact CA-O 2.89Å; E13-K121 PolarHBondContact N-O 2.92Å; E13-K121 PolarHBondContact O-N 3.1Å; E13-K121 VanDerWaalsContact O-N 3.15Å; V110-K121 HydrophobicContact CG1-CD 4.39Å; V110-K121 HydrophobicContact CG1-CG 4.04Å
122R90.9Very high90.7Very high42 Ų4260.1 Ų60.116%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-130.8139.4172.759.8174.5172.8158.76.3111L9 S11 H12 V110 N111 Y120L9-R122 HydrophobicContact CD1-CB 3.73Å; S11-R122 WeakPolarHBondContact O-CA 3.49Å; H12-R122 HydrophobicContact CB-CB 3.96Å; V110-R122 CarbonylContact C-O 3.54Å; V110-R122 WeakPolarHBondContact CA-O 3.32Å; N111-R122 HydrophobicContact CB-CG 3.77Å; N111-R122 PolarHBondContact N-O 2.69Å; N111-R122 WeakPolarHBondContact O-CG 3.5Å; N111-R122 PolarHBondContact O-N 2.88Å; N111-R122 PolarHBondContact OD1-NE 3.26Å; N111-R122 PolarHBondContact OD1-NH2 3.48Å; Y120-R122 HydrophobicContact CE1-CB 4.37Å; Y120-R122 HydrophobicContact CE1-CG 4.15Å; Y120-R122 HydrophobicContact CE2-CB 4.47Å
123I92.8Very high90.5Very high41 Ų4161.5 Ų61.521%0.2134%0.339CS..EExtended strand (participates in β ladder)trans-115.3121.8178.1-50.6-178.6000106.7E10 S11 T108 V110E10-I123 PolarHBondContact N-O 2.85Å; S11-I123 PolarHBondContact N-O 2.84Å; S11-I123 PolarHBondContact O-N 3.04Å; T108-I123 HydrophobicContact CG2-CG2 3.89Å; V110-I123 HydrophobicContact CG2-CG1 4.28Å; V110-I123 HydrophobicContact CG2-CG2 4.35Å
124S92.6Very high90.5Very high2 Ų263.6 Ų63.61%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-122.7137.2177.6-51.50000110Q8 I109Q8-S124 CarbonylContact O-C 3.51Å; Q8-S124 WeakPolarHBondContact O-CA 3.49Å; Q8-S124 WeakPolarHBondContact O-CB 3.27Å; I109-S124 PolarHBondContact N-O 3.22Å; I109-S124 PolarHBondContact O-N 3.05Å
125K92.8Very high90.4Very high90 Ų9065.5 Ų65.539%0.39136%0.36SS..EExtended strand (participates in β ladder)trans-107.2144.9176.3-74.9-166.5-176.6148.90111.4Y7 Q8 E10 N107 T108Y7-K125 CarbonylContact C-O 3.59Å; Y7-K125 VanDerWaalsContact CA-O 3.24Å; Y7-K125 WeakPolarHBondContact CA-O 3.46Å; Q8-K125 PolarHBondContact N-O 3.1Å; Q8-K125 PolarHBondContact O-N 3.46Å; E10-K125 VanDerWaalsContact CD-CE 3.48Å; E10-K125 WeakPolarHBondContact OE1-CE 3.31Å; E10-K125 IonicContact OE1-NZ 2.71Å; E10-K125 PolarHBondContact OE1-NZ 3.25Å; E10-K125 WeakPolarHBondContact OE2-CD 3.35Å; E10-K125 WeakPolarHBondContact OE2-CE 3.43Å; E10-K125 IonicContact OE2-NZ 2.69Å; E10-K125 PolarHBondContact OE2-NZ 3.32Å; N107-K125 CarbonylContact O-C 3.57Å; N107-K125 VanDerWaalsContact O-CA 3.29Å; N107-K125 WeakPolarHBondContact O-CA 3.44Å; T108-K125 HydrophobicContact CG2-CG 4.4Å
126R91.9Very high90.5Very high108 Ų10868.5 Ų68.541%0.40838%0.375SS..EExtended strand (participates in β ladder)trans-63134.3177.6-165.6-179.6-173.3144.29.3109.3T4 K6 Y7 N107T4-R126 PolarHBondContact O-NH2 3.44Å; K6-R126 CarbonylContact O-C 3.54Å; K6-R126 VanDerWaalsContact O-CA 3.22Å; K6-R126 WeakPolarHBondContact O-CA 3.06Å; K6-R126 WeakPolarHBondContact O-CG 3.16Å; Y7-R126 HydrophobicContact CD1-CB 4.01Å; Y7-R126 HydrophobicContact CE1-CB 3.94Å; Y7-R126 HydrophobicContact CE1-CG 4.36Å; N107-R126 HydrophobicContact CB-CB 3.82Å; N107-R126 WeakPolarHBondContact O-CB 3.29Å; N107-R126 PolarHBondContact O-N 2.71Å; N107-R126 VanDerWaalsContact OD1-CD 3.27Å; N107-R126 WeakPolarHBondContact OD1-CD 3.47Å
127M84.4Confident90.8Very high156 Ų15668.1 Ų68.177%0.76834%0.341SS*.  trans-85.80173-62.7-17569.400111.4K6 Q8 V38K6-M127 HydrophobicContact CB-CB 4.45Å; K6-M127 PolarHBondContact O-N 2.8Å; Q8-M127 HydrophobicContact CB-CG 3.71Å; Q8-M127 HydrophobicContact CB-SD 3.78Å; V38-M127 HydrophobicContact CG1-SD 4.1Å; V38-M127 HydrophobicContact CG2-SD 4.16Å

Retrieved 127 of 127 residues in 126.3 ms (Link to these results)

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