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Fatty acid-binding protein, intestinal

FABPs are thought to play a role in the intracellular transport of long-chain fatty acids and their acyl-CoA esters. FABP2 is probably involved in triglyceride-rich lipoprotein synthesis. Binds saturated long-chain fatty acids with a high affinity, but binds with a lower affinity to unsaturated long-chain fatty acids. FABP2 may also help maintain energy homeostasis by functioning as a lipid sensor.

AlphaFold DB , UniProt , Accession A0A096MX76, Species PAPAN (Papio anubis, Olive baboon), Gene FABP2, Length 132 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
1M57.8Low83.9Confident187 Ų18768.5 Ų68.592%0.92135%0.349SS*.  01.20-70.4177.5177.300114.6Q43M1-Q43 VanDerWaalsContact N-OE1 3.11Å
2A70Confident84.2Confident53 Ų5366.1 Ų66.144%0.43834%0.342SS..  trans-76.2-30.7179.400000114.2
3F78.8Confident84.5Confident6 Ų668.1 Ų68.13%0.02635%0.349CS..SBendtrans-89.2-9.8179.6-61.6-84000113.4G5 W7 I41 L85 N88 L90 R107 I109 L114F3-G5 PolarHBondContact O-N 3.25Å; F3-W7 PolarHBondContact O-NE1 3.16Å; F3-I41 HydrophobicContact CB-CD1 4.49Å; F3-I41 HydrophobicContact CB-CG2 3.96Å; F3-I41 WeakPolarHBondContact O-CB 3.37Å; F3-L85 HydrophobicContact CE2-CD1 4.04Å; F3-N88 WeakPolarHBondContact CZ-O 3.4Å; F3-L90 HydrophobicContact CZ-CB 4.38Å; F3-R107 HydrophobicContact CE1-CB 4.43Å; F3-I109 HydrophobicContact CD1-CD1 3.62Å; F3-I109 HydrophobicContact CD1-CG1 3.68Å; F3-I109 HydrophobicContact CE1-CD1 3.83Å; F3-I109 HydrophobicContact CE1-CG1 3.58Å; F3-I109 HydrophobicContact CG-CD1 4.49Å; F3-I109 HydrophobicContact CG-CG1 4.34Å; F3-I109 HydrophobicContact CZ-CG1 4.15Å; F3-L114 HydrophobicContact CD1-CD1 3.89Å; F3-L114 HydrophobicContact CE1-CD1 3.97Å
4N85.8Confident84.7Confident55 Ų5568.4 Ų68.429%0.29435%0.352SS..  trans-66.2126.5-175.7-93.411.6000111.1I41 T42 Q43N4-I41 WeakPolarHBondContact CA-O 3.34Å; N4-I41 PolarHBondContact OD1-O 2.86Å; N4-T42 VanDerWaalsContact OD1-CA 3.29Å; N4-T42 WeakPolarHBondContact OD1-CA 3.34Å; N4-Q43 PolarHBondContact OD1-N 2.78Å
5G88.8Confident84.6Confident24 Ų2465.5 Ų65.525%0.24734%0.335CS..EExtended strand (participates in β ladder)trans141.8-174.1179.800000111.3F3 T40 I41F3-G5 PolarHBondContact O-N 3.25Å; G5-T40 WeakPolarHBondContact O-CA 3Å; G5-I41 PolarHBondContact N-O 2.81Å; G5-I41 VanDerWaalsContact N-O 3.12Å; G5-I41 PolarHBondContact O-N 3.1Å
6T91.3Very high84.6Confident33 Ų3366 Ų6620%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-108.7133.2176.5-48.40000110K38 L39 T40 K131 D132T6-K38 HydrophobicContact CG2-CD 3.82Å; T6-K38 HydrophobicContact CG2-CG 3.35Å; T6-L39 CarbonylContact C-O 3.53Å; T6-L39 WeakPolarHBondContact CA-O 3.33Å; T6-T40 VanDerWaalsContact CG2-OG1 3.28Å; T6-T40 WeakPolarHBondContact CG2-OG1 3.39Å; T6-T40 PolarHBondContact OG1-OG1 3Å; T6-K131 WeakPolarHBondContact O-CA 3.5Å; T6-D132 HydrophobicContact CG2-CB 4.46Å; T6-D132 PolarHBondContact O-N 3.12Å
7W92.1Very high84.7Confident6 Ų669.2 Ų69.22%0.02335%0.349CS..EExtended strand (participates in β ladder)trans-123.2117.2-173.1-56.192.7000108.8F3 K38 L39 I109 L114 F129 K130 K131F3-W7 PolarHBondContact O-NE1 3.16Å; W7-K38 CarbonylContact O-C 3.46Å; W7-K38 WeakPolarHBondContact O-CA 3.45Å; W7-L39 HydrophobicContact CB-CB 4.26Å; W7-L39 PolarHBondContact N-O 3.1Å; W7-L39 PolarHBondContact O-N 3.46Å; W7-I109 HydrophobicContact CH2-CD1 3.61Å; W7-I109 HydrophobicContact CZ2-CD1 3.63Å; W7-I109 HydrophobicContact CZ3-CD1 4.31Å; W7-L114 HydrophobicContact CB-CD2 3.89Å; W7-L114 HydrophobicContact CD2-CB 3.67Å; W7-L114 HydrophobicContact CD2-CD2 3.94Å; W7-L114 HydrophobicContact CD2-CG 4.41Å; W7-L114 HydrophobicContact CE3-CB 3.41Å; W7-L114 VanDerWaalsContact CE3-CB 3.41Å; W7-L114 HydrophobicContact CE3-CD2 4.5Å; W7-L114 HydrophobicContact CG-CB 4.24Å; W7-L114 HydrophobicContact CG-CD2 3.65Å; W7-L114 HydrophobicContact CH2-CB 4.31Å; W7-L114 HydrophobicContact CZ3-CB 3.76Å; W7-F129 HydrophobicContact CB-CB 3.86Å; W7-F129 HydrophobicContact CB-CG 4.47Å; W7-K130 CarbonylContact C-O 3.53Å; W7-K130 WeakPolarHBondContact CA-O 3.43Å; W7-K131 HydrophobicContact CE3-CB 4.21Å; W7-K131 HydrophobicContact CZ3-CB 4.04Å
8K91.2Very high84.8Confident86 Ų8665.7 Ų65.737%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-99.2133.7176.6-171.1176-178.8179.80110H10 F129 K130 D132K8-H10 PolarHBondContact O-N 3.42Å; K8-F129 CarbonylContact O-C 3.56Å; K8-F129 VanDerWaalsContact O-CA 3.24Å; K8-F129 WeakPolarHBondContact O-CA 3.44Å; K8-K130 PolarHBondContact N-O 3.09Å; K8-K130 PolarHBondContact O-N 2.95Å; K8-D132 HydrophobicContact CB-CB 4.15Å
9V90.3Very high84.7Confident27 Ų2762.9 Ų62.916%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-59.4127176.667.50000109.4L37 F129V9-L37 HydrophobicContact CB-CB 4.44Å; V9-L37 HydrophobicContact CG1-CB 4.16Å; V9-L37 WeakPolarHBondContact CG1-O 3.43Å; V9-L37 PolarHBondContact N-O 3.25Å; V9-F129 VanDerWaalsContact CA-CD1 3.47Å; V9-F129 HydrophobicContact CB-CD1 3.79Å; V9-F129 HydrophobicContact CB-CE1 3.73Å; V9-F129 HydrophobicContact CG2-CD1 4.39Å; V9-F129 HydrophobicContact CG2-CE1 4.18Å
10H88.6Confident84.8Confident115 Ų11565 Ų6553%0.53233%0.326SS..EExtended strand (participates in β ladder)trans-105.2-44.7178.9-178.9-102.1000110.6K8 I128 K130K8-H10 PolarHBondContact O-N 3.42Å; H10-I128 PolarHBondContact N-O 3.3Å; H10-K130 HydrophobicContact CB-CB 4.44Å; H10-K130 HydrophobicContact CB-CD 4.19Å; H10-K130 HydrophobicContact CB-CG 3.99Å; H10-K130 PolarHBondContact CE1-NZ 2.63Å; H10-K130 PolarHBondContact NE2-NZ 3.49Å
11R88Confident84.8Confident162 Ų16267 Ų6761%0.61133%0.333SS*.EExtended strand (participates in β ladder)trans-150.7153.9178.1-171.3172.8177.2-173.1-1.7111I128R11-I128 HydrophobicContact CB-CD1 4.34Å; R11-I128 PolarHBondContact N-O 2.83Å; R11-I128 VanDerWaalsContact N-O 3.14Å; R11-I128 PolarHBondContact O-N 2.84Å
12S87.3Confident85.9Confident39 Ų3958.8 Ų58.827%0.27329%0.292SS..EExtended strand (participates in β ladder)trans-127.3147.6169.457.10000110.6K126S12-K126 CarbonylContact C-O 3.58Å; S12-K126 VanDerWaalsContact CA-O 3.26Å; S12-K126 WeakPolarHBondContact CA-O 3.36Å
13E88.9Confident86.3Confident92 Ų9259.2 Ų59.243%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-123.9129.5178-62-172.295.300108.4Y15 A125 K126 I128E13-Y15 PolarHBondContact O-N 2.77Å; E13-A125 CarbonylContact O-C 3.48Å; E13-A125 WeakPolarHBondContact O-CA 3.48Å; E13-K126 HydrophobicContact CB-CB 4.33Å; E13-K126 PolarHBondContact N-O 2.94Å; E13-K126 PolarHBondContact O-N 2.89Å; E13-I128 HydrophobicContact CG-CD1 4.24Å
14N86.7Confident86.4Confident73 Ų7360 Ų6039%0.3931%0.306SS..SBendtrans57.112177.1-146.941.5000115.6D16 K17 F18 E124N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact O-N 2.72Å; N14-K17 PolarHBondContact O-N 2.84Å; N14-K17 WeakPolarHBondContact OD1-CD 3.31Å; N14-K17 WeakPolarHBondContact OD1-CG 3.24Å; N14-F18 PolarHBondContact O-N 3.32Å; N14-E124 WeakPolarHBondContact CB-O 3.29Å; N14-E124 PolarHBondContact ND2-O 3.07Å
15Y83.6Confident86.2Confident25 Ų2562.8 Ų62.810%0.09832%0.321CS..Hα-helixtrans-63.9-34.2-179.2-169.3-115.5000112.4E13 K17 F18 M19 A32 Y118 A125 R127E13-Y15 PolarHBondContact O-N 2.77Å; Y15-K17 PolarHBondContact O-N 3.06Å; Y15-F18 HydrophobicContact CD2-CD1 4.14Å; Y15-F18 HydrophobicContact CE2-CD1 4.08Å; Y15-F18 HydrophobicContact CE2-CE1 4.28Å; Y15-F18 PolarHBondContact O-N 3.14Å; Y15-M19 HydrophobicContact CD1-CE 4.44Å; Y15-M19 HydrophobicContact CD1-CG 4.21Å; Y15-M19 HydrophobicContact CD1-SD 3.71Å; Y15-M19 HydrophobicContact CE1-CE 3.46Å; Y15-M19 VanDerWaalsContact CE1-CE 3.46Å; Y15-M19 HydrophobicContact CE1-CG 4.02Å; Y15-M19 HydrophobicContact CE1-SD 3.3Å; Y15-M19 WeakPolarHBondContact CE1-SD 3.3Å; Y15-M19 HydrophobicContact CE2-CG 4.45Å; Y15-M19 VanDerWaalsContact O-CG 3.27Å; Y15-M19 WeakPolarHBondContact O-CG 3.42Å; Y15-M19 PolarHBondContact O-N 3.24Å; Y15-M19 VanDerWaalsContact OH-CE 3.28Å; Y15-M19 WeakPolarHBondContact OH-CE 3.19Å; Y15-A32 HydrophobicContact CE1-CB 4.4Å; Y15-Y118 HydrophobicContact CE2-CE2 4.3Å; Y15-A125 HydrophobicContact CD2-CB 4.39Å; Y15-R127 HydrophobicContact CD2-CG 4.05Å; Y15-R127 HydrophobicContact CE2-CG 4.33Å; Y15-R127 HydrophobicContact CG-CG 4.48Å; Y15-R127 PolarHBondContact OH-NH1 3.5Å; Y15-R127 VanDerWaalsContact OH-NH1 3.16Å
16D84.4Confident85.7Confident73 Ų7366.8 Ų66.839%0.3934%0.336SS..Hα-helixtrans-60.8-45.6175.5-174.5-88.6000112.4N14 F18 M19 E20 R29N14-D16 VanDerWaalsContact C-N 3.3Å; N14-D16 PolarHBondContact O-N 2.72Å; D16-F18 PolarHBondContact O-N 2.86Å; D16-M19 PolarHBondContact O-N 3.36Å; D16-E20 WeakPolarHBondContact O-CB 3.33Å; D16-E20 PolarHBondContact O-N 3.44Å; D16-R29 WeakPolarHBondContact O-CD 3.36Å; D16-R29 IonicContact OD1-CZ 2.83Å; D16-R29 IonicContact OD1-NH1 3.36Å; D16-R29 PolarHBondContact OD1-NH1 2.74Å; D16-R29 IonicContact OD2-NH1 3.97Å
17K86.3Confident85.1Confident120 Ų12072.1 Ų72.152%0.52236%0.36SS..Hα-helixtrans-65.6-38.5177.1-66-162.5-169.4172.20112.4N14 Y15 E20 K21 V123N14-K17 PolarHBondContact O-N 2.84Å; N14-K17 WeakPolarHBondContact OD1-CD 3.31Å; N14-K17 WeakPolarHBondContact OD1-CG 3.24Å; Y15-K17 PolarHBondContact O-N 3.06Å; K17-E20 WeakPolarHBondContact O-CB 3.33Å; K17-E20 PolarHBondContact O-N 3.1Å; K17-K21 PolarHBondContact O-N 2.78Å; K17-V123 HydrophobicContact CB-CG1 4.12Å
18F87.1Confident84.4Confident6 Ų676.6 Ų76.63%0.02638%0.38CS..Hα-helixtrans-61.8-46.3174.5165.1-93.5000111.1N14 Y15 D16 E20 K21 M22 L103 Y118 Y120 V123 A125N14-F18 PolarHBondContact O-N 3.32Å; Y15-F18 HydrophobicContact CD2-CD1 4.14Å; Y15-F18 HydrophobicContact CE2-CD1 4.08Å; Y15-F18 HydrophobicContact CE2-CE1 4.28Å; Y15-F18 PolarHBondContact O-N 3.14Å; D16-F18 PolarHBondContact O-N 2.86Å; F18-E20 VanDerWaalsContact C-N 3.3Å; F18-E20 PolarHBondContact O-N 2.73Å; F18-K21 PolarHBondContact O-N 3.32Å; F18-M22 HydrophobicContact CD1-SD 4.21Å; F18-M22 HydrophobicContact CE1-CE 3.94Å; F18-M22 HydrophobicContact CE1-CG 4.19Å; F18-M22 HydrophobicContact CE1-SD 3.38Å; F18-M22 WeakPolarHBondContact CE1-SD 3.47Å; F18-M22 HydrophobicContact CE2-CE 4.14Å; F18-M22 HydrophobicContact CE2-CG 4.46Å; F18-M22 HydrophobicContact CE2-SD 4.34Å; F18-M22 HydrophobicContact CZ-CE 3.38Å; F18-M22 HydrophobicContact CZ-CG 4.12Å; F18-M22 HydrophobicContact CZ-SD 3.47Å; F18-M22 WeakPolarHBondContact CZ-SD 3.38Å; F18-M22 PolarHBondContact O-N 2.84Å; F18-L103 HydrophobicContact CZ-CD1 4.32Å; F18-Y118 HydrophobicContact CZ-CD1 4.28Å; F18-Y118 HydrophobicContact CZ-CG 4.27Å; F18-Y120 VanDerWaalsContact CE2-CB 3.48Å; F18-Y120 HydrophobicContact CE2-CG 4.32Å; F18-V123 HydrophobicContact CB-CG1 4.21Å; F18-A125 HydrophobicContact CB-CB 3.54Å; F18-A125 HydrophobicContact CG-CB 4.07Å
19M83.4Confident83.8Confident14 Ų1473.2 Ų73.27%0.06936%0.364CS..Hα-helixtrans-65.2-36.2177.1-69-169.7125.800112.1Y15 D16 M22 G23 I24 R29 A32Y15-M19 HydrophobicContact CD1-CE 4.44Å; Y15-M19 HydrophobicContact CD1-CG 4.21Å; Y15-M19 HydrophobicContact CD1-SD 3.71Å; Y15-M19 HydrophobicContact CE1-CE 3.46Å; Y15-M19 VanDerWaalsContact CE1-CE 3.46Å; Y15-M19 HydrophobicContact CE1-CG 4.02Å; Y15-M19 HydrophobicContact CE1-SD 3.3Å; Y15-M19 WeakPolarHBondContact CE1-SD 3.3Å; Y15-M19 HydrophobicContact CE2-CG 4.45Å; Y15-M19 VanDerWaalsContact O-CG 3.27Å; Y15-M19 WeakPolarHBondContact O-CG 3.42Å; Y15-M19 PolarHBondContact O-N 3.24Å; Y15-M19 VanDerWaalsContact OH-CE 3.28Å; Y15-M19 WeakPolarHBondContact OH-CE 3.19Å; D16-M19 PolarHBondContact O-N 3.36Å; M19-M22 WeakPolarHBondContact O-CB 3.43Å; M19-M22 PolarHBondContact O-N 2.86Å; M19-G23 PolarHBondContact O-N 2.77Å; M19-I24 HydrophobicContact CB-CB 4.1Å; M19-I24 HydrophobicContact CB-CD1 3.94Å; M19-I24 HydrophobicContact CB-CG1 4.44Å; M19-I24 HydrophobicContact CE-CD1 3.77Å; M19-I24 HydrophobicContact CG-CD1 3.94Å; M19-I24 VanDerWaalsContact O-CB 3.26Å; M19-I24 WeakPolarHBondContact O-CB 3.42Å; M19-I24 PolarHBondContact O-N 2.95Å; M19-I24 HydrophobicContact SD-CD1 4.42Å; M19-R29 HydrophobicContact CB-CG 3.63Å; M19-R29 HydrophobicContact SD-CG 4.35Å; M19-A32 HydrophobicContact CE-CB 3.33Å; M19-A32 HydrophobicContact SD-CB 3.63Å
20E85.5Confident83.3Confident104 Ų10479.5 Ų79.549%0.48639%0.39SS..Hα-helixtrans-59.3-48.5173.2-170.7167.584.600111D16 K17 F18 M22 G23 R29D16-E20 WeakPolarHBondContact O-CB 3.33Å; D16-E20 PolarHBondContact O-N 3.44Å; K17-E20 WeakPolarHBondContact O-CB 3.33Å; K17-E20 PolarHBondContact O-N 3.1Å; F18-E20 VanDerWaalsContact C-N 3.3Å; F18-E20 PolarHBondContact O-N 2.73Å; E20-M22 VanDerWaalsContact C-N 3.26Å; E20-M22 PolarHBondContact O-N 2.8Å; E20-G23 WeakPolarHBondContact O-CA 3.28Å; E20-G23 PolarHBondContact O-N 2.74Å; E20-R29 IonicContact OE2-CZ 2.76Å; E20-R29 IonicContact OE2-NH1 2.63Å; E20-R29 PolarHBondContact OE2-NH1 2.79Å; E20-R29 IonicContact OE2-NH2 2.76Å; E20-R29 PolarHBondContact OE2-NH2 2.77Å
21K85.6Confident82.7Confident108 Ų10878.2 Ų78.247%0.4739%0.386SS..Hα-helixtrans-63-32.7176.8-84.5-62.6-1661720113.2K17 F18 G23 Y120 V123K17-K21 PolarHBondContact O-N 2.78Å; F18-K21 PolarHBondContact O-N 3.32Å; K21-G23 PolarHBondContact O-N 2.76Å; K21-Y120 HydrophobicContact CB-CD1 4.11Å; K21-Y120 HydrophobicContact CB-CE1 4.36Å; K21-V123 HydrophobicContact CG-CB 4.28Å; K21-V123 HydrophobicContact CG-CG2 3.65Å
22M79.3Confident82.1Confident14 Ų1471.1 Ų71.17%0.06936%0.362CS..THydrogen-bonded Turntrans-67.3-13.5172.5-78-168139.800113.9F18 M19 E20 I24 L73 R96 L103 Y120F18-M22 HydrophobicContact CD1-SD 4.21Å; F18-M22 HydrophobicContact CE1-CE 3.94Å; F18-M22 HydrophobicContact CE1-CG 4.19Å; F18-M22 HydrophobicContact CE1-SD 3.38Å; F18-M22 WeakPolarHBondContact CE1-SD 3.47Å; F18-M22 HydrophobicContact CE2-CE 4.14Å; F18-M22 HydrophobicContact CE2-CG 4.46Å; F18-M22 HydrophobicContact CE2-SD 4.34Å; F18-M22 HydrophobicContact CZ-CE 3.38Å; F18-M22 HydrophobicContact CZ-CG 4.12Å; F18-M22 HydrophobicContact CZ-SD 3.47Å; F18-M22 WeakPolarHBondContact CZ-SD 3.38Å; F18-M22 PolarHBondContact O-N 2.84Å; M19-M22 WeakPolarHBondContact O-CB 3.43Å; M19-M22 PolarHBondContact O-N 2.86Å; E20-M22 VanDerWaalsContact C-N 3.26Å; E20-M22 PolarHBondContact O-N 2.8Å; M22-I24 HydrophobicContact CB-CD1 4.2Å; M22-I24 HydrophobicContact CB-CG1 4.04Å; M22-I24 HydrophobicContact SD-CD1 4.31Å; M22-L73 HydrophobicContact CE-CD1 4.2Å; M22-R96 PolarHBondContact O-NH1 2.78Å; M22-R96 PolarHBondContact O-NH2 3.49Å; M22-L103 HydrophobicContact CE-CD1 3.08Å; M22-L103 HydrophobicContact CE-CG 4.21Å; M22-Y120 HydrophobicContact CG-CD1 4.26Å; M22-Y120 HydrophobicContact CG-CE1 4.36Å
23G79.7Confident81.4Confident61 Ų6171.5 Ų71.563%0.62937%0.368SS*.THydrogen-bonded Turntrans90.914-174.900000113.6M19 E20 K21 N25M19-G23 PolarHBondContact O-N 2.77Å; E20-G23 WeakPolarHBondContact O-CA 3.28Å; E20-G23 PolarHBondContact O-N 2.74Å; K21-G23 PolarHBondContact O-N 2.76Å; G23-N25 PolarHBondContact O-N 3.12Å
24I80.4Confident80.8Confident24 Ų2474.2 Ų74.212%0.12338%0.38CS..  trans-76.6127.4-177.3-58.7176.9000110M19 M22 K28 R29M19-I24 HydrophobicContact CB-CB 4.1Å; M19-I24 HydrophobicContact CB-CD1 3.94Å; M19-I24 HydrophobicContact CB-CG1 4.44Å; M19-I24 HydrophobicContact CE-CD1 3.77Å; M19-I24 HydrophobicContact CG-CD1 3.94Å; M19-I24 VanDerWaalsContact O-CB 3.26Å; M19-I24 WeakPolarHBondContact O-CB 3.42Å; M19-I24 PolarHBondContact O-N 2.95Å; M19-I24 HydrophobicContact SD-CD1 4.42Å; M22-I24 HydrophobicContact CB-CD1 4.2Å; M22-I24 HydrophobicContact CB-CG1 4.04Å; M22-I24 HydrophobicContact SD-CD1 4.31Å; I24-K28 HydrophobicContact CG2-CB 3.54Å; I24-K28 HydrophobicContact CG2-CD 4.41Å; I24-R29 HydrophobicContact CB-CG 4.17Å; I24-R29 HydrophobicContact CG2-CG 3.88Å; I24-R29 PolarHBondContact O-NE 2.8Å; I24-R29 VanDerWaalsContact O-NE 3.15Å
25N81.8Confident80.2Confident113 Ų11371.2 Ų71.260%0.60436%0.364SS*.  trans-62.1146.2-177.9-157.719.8000112.3G23 M27 K28 R29G23-N25 PolarHBondContact O-N 3.12Å; N25-M27 PolarHBondContact O-N 2.71Å; N25-M27 VanDerWaalsContact O-N 3.09Å; N25-K28 WeakPolarHBondContact O-CB 3.48Å; N25-K28 PolarHBondContact O-N 2.8Å; N25-R29 PolarHBondContact O-N 2.81Å
26L78.6Confident80.1Confident107 Ų10774.4 Ų74.456%0.5638%0.383SS*.Hα-helixtrans-50.5-39.9-174.6-82.2163.3000113.9R29 K30L26-R29 VanDerWaalsContact CD2-CZ 3.44Å; L26-R29 PolarHBondContact O-N 2.76Å; L26-K30 PolarHBondContact O-N 3.48Å; L26-K30 VanDerWaalsContact O-N 3.09Å
27M78.8Confident80.1Confident146 Ų14671.2 Ų71.272%0.71937%0.366SS*.Hα-helixtrans-65.7-42.1179.3-164.8175-172.300112N25 L31N25-M27 PolarHBondContact O-N 2.71Å; N25-M27 VanDerWaalsContact O-N 3.09Å; M27-L31 WeakPolarHBondContact O-CG 3.45Å; M27-L31 PolarHBondContact O-N 2.93Å
28K76Confident80.3Confident99 Ų9969 Ų6943%0.4336%0.356SS..Hα-helixtrans-67.4-36.7175.5-67.5-172-175.6-174.90111.1I24 N25 L31 A32 D75I24-K28 HydrophobicContact CG2-CB 3.54Å; I24-K28 HydrophobicContact CG2-CD 4.41Å; N25-K28 WeakPolarHBondContact O-CB 3.48Å; N25-K28 PolarHBondContact O-N 2.8Å; K28-L31 PolarHBondContact O-N 2.97Å; K28-A32 VanDerWaalsContact O-CB 3.23Å; K28-A32 WeakPolarHBondContact O-CB 3.47Å; K28-A32 PolarHBondContact O-N 2.9Å; K28-D75 IonicContact NZ-OD2 2.64Å; K28-D75 PolarHBondContact NZ-OD2 2.77Å
29R80.6Confident80.4Confident15 Ų1568.7 Ų68.76%0.05736%0.355CS..Hα-helixtrans-60.4-49.7175.9-68.5-165.7-93.1161-15.9112.8D16 M19 E20 I24 N25 L26 L31 A32 A33D16-R29 WeakPolarHBondContact O-CD 3.36Å; D16-R29 IonicContact OD1-CZ 2.83Å; D16-R29 IonicContact OD1-NH1 3.36Å; D16-R29 PolarHBondContact OD1-NH1 2.74Å; D16-R29 IonicContact OD2-NH1 3.97Å; M19-R29 HydrophobicContact CB-CG 3.63Å; M19-R29 HydrophobicContact SD-CG 4.35Å; E20-R29 IonicContact OE2-CZ 2.76Å; E20-R29 IonicContact OE2-NH1 2.63Å; E20-R29 PolarHBondContact OE2-NH1 2.79Å; E20-R29 IonicContact OE2-NH2 2.76Å; E20-R29 PolarHBondContact OE2-NH2 2.77Å; I24-R29 HydrophobicContact CB-CG 4.17Å; I24-R29 HydrophobicContact CG2-CG 3.88Å; I24-R29 PolarHBondContact O-NE 2.8Å; I24-R29 VanDerWaalsContact O-NE 3.15Å; N25-R29 PolarHBondContact O-N 2.81Å; L26-R29 VanDerWaalsContact CD2-CZ 3.44Å; L26-R29 PolarHBondContact O-N 2.76Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 2.77Å; R29-A32 PolarHBondContact O-N 2.82Å; R29-A33 PolarHBondContact O-N 2.85Å
30K78.6Confident80.8Confident159 Ų15969.8 Ų69.869%0.69136%0.362SS*.Hα-helixtrans-58.4-45.7177.8-82.6-164.9173.9-173.90112L26 A33 H34L26-K30 PolarHBondContact O-N 3.48Å; L26-K30 VanDerWaalsContact O-N 3.09Å; K30-A33 PolarHBondContact O-N 3.08Å; K30-H34 PolarHBondContact O-CD2 2.79Å; K30-H34 PolarHBondContact O-N 3.32Å
31L75.5Confident81Confident89 Ų8965 Ų6547%0.46634%0.34SS..Hα-helixtrans-66.3-40.7178.2-69.8171.9000111.5M27 K28 R29 A33 H34 D35 F56M27-L31 WeakPolarHBondContact O-CG 3.45Å; M27-L31 PolarHBondContact O-N 2.93Å; K28-L31 PolarHBondContact O-N 2.97Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 2.77Å; L31-A33 VanDerWaalsContact C-N 3.28Å; L31-A33 PolarHBondContact O-N 2.76Å; L31-H34 CarbonylContact O-C 3.54Å; L31-H34 VanDerWaalsContact O-C 3.29Å; L31-H34 WeakPolarHBondContact O-CA 3.49Å; L31-H34 PolarHBondContact O-N 2.89Å; L31-D35 PolarHBondContact O-N 2.77Å; L31-F56 HydrophobicContact CB-CE1 4.38Å; L31-F56 HydrophobicContact CB-CE2 3.61Å; L31-F56 HydrophobicContact CB-CZ 3.25Å; L31-F56 HydrophobicContact CD1-CE1 4.16Å; L31-F56 HydrophobicContact CD1-CZ 3.74Å; L31-F56 HydrophobicContact CG-CZ 4.12Å
32A75.5Confident81.2Confident12 Ų1262.5 Ų62.510%0.09933%0.334CS..Hα-helixtrans-67.8-27.4179.100000113.5Y15 M19 K28 R29 H34 D35 F56Y15-A32 HydrophobicContact CE1-CB 4.4Å; M19-A32 HydrophobicContact CE-CB 3.33Å; M19-A32 HydrophobicContact SD-CB 3.63Å; K28-A32 VanDerWaalsContact O-CB 3.23Å; K28-A32 WeakPolarHBondContact O-CB 3.47Å; K28-A32 PolarHBondContact O-N 2.9Å; R29-A32 PolarHBondContact O-N 2.82Å; A32-H34 PolarHBondContact O-N 2.64Å; A32-D35 WeakPolarHBondContact O-CB 3.47Å; A32-F56 HydrophobicContact CB-CE2 4.44Å
33A73.9Confident81.6Confident48 Ų4864 Ų6440%0.39734%0.341SS..Hα-helixtrans-66.3-28.4170.400000112.4R29 K30 L31R29-A33 PolarHBondContact O-N 2.85Å; K30-A33 PolarHBondContact O-N 3.08Å; L31-A33 VanDerWaalsContact C-N 3.28Å; L31-A33 PolarHBondContact O-N 2.76Å
34H75.1Confident82Confident148 Ų14867.4 Ų67.469%0.68534%0.34SS*.THydrogen-bonded Turntrans-109.619.3179.7-68.7-78.1000113.6K30 L31 A32 N36K30-H34 PolarHBondContact O-CD2 2.79Å; K30-H34 PolarHBondContact O-N 3.32Å; L31-H34 CarbonylContact O-C 3.54Å; L31-H34 VanDerWaalsContact O-C 3.29Å; L31-H34 WeakPolarHBondContact O-CA 3.49Å; L31-H34 PolarHBondContact O-N 2.89Å; A32-H34 PolarHBondContact O-N 2.64Å; H34-N36 PolarHBondContact O-N 2.77Å; H34-N36 VanDerWaalsContact O-N 3.13Å; H34-N36 PolarHBondContact O-ND2 2.87Å
35D74.3Confident82.3Confident10 Ų1068.9 Ų68.95%0.05336%0.361CS..SBendtrans-73.8-5-171.6170.1-111.9000114.3L31 A32 L37 S54 T55 F56L31-D35 PolarHBondContact O-N 2.77Å; A32-D35 WeakPolarHBondContact O-CB 3.47Å; D35-L37 PolarHBondContact O-N 3.16Å; D35-L37 VanDerWaalsContact O-N 3.1Å; D35-S54 VanDerWaalsContact CG-CB 3.44Å; D35-S54 WeakPolarHBondContact OD1-CB 3.38Å; D35-S54 PolarHBondContact OD1-OG 3.5Å; D35-S54 WeakPolarHBondContact OD2-CB 3.46Å; D35-T55 VanDerWaalsContact C-OG1 3.25Å; D35-T55 PolarHBondContact O-N 3.19Å; D35-T55 PolarHBondContact O-OG1 2.75Å; D35-T55 PolarHBondContact OD2-N 2.79Å; D35-F56 HydrophobicContact CB-CD2 4.2Å; D35-F56 HydrophobicContact CB-CE2 4.43Å; D35-F56 WeakPolarHBondContact OD2-CD2 3.5Å; D35-F56 PolarHBondContact OD2-N 2.83Å; D35-F56 VanDerWaalsContact OD2-N 3.13Å
36N81.7Confident82.5Confident93 Ų9368.8 Ų68.850%0.49736%0.361SS..  trans52.132.8179.1-72.8-84.9000113.4H34 K38H34-N36 PolarHBondContact O-N 2.77Å; H34-N36 VanDerWaalsContact O-N 3.13Å; H34-N36 PolarHBondContact O-ND2 2.87Å; N36-K38 PolarHBondContact O-N 3.32Å
37L84.6Confident83Confident5 Ų568 Ų683%0.02635%0.353CS..  trans-47.3121.8-179.1175.964.9000111.6V9 D35 L39 E52 S53 S54 R127 F129V9-L37 HydrophobicContact CB-CB 4.44Å; V9-L37 HydrophobicContact CG1-CB 4.16Å; V9-L37 WeakPolarHBondContact CG1-O 3.43Å; V9-L37 PolarHBondContact N-O 3.25Å; D35-L37 PolarHBondContact O-N 3.16Å; D35-L37 VanDerWaalsContact O-N 3.1Å; L37-L39 HydrophobicContact CD1-CD2 3.88Å; L37-L39 HydrophobicContact CD1-CG 4.39Å; L37-L39 HydrophobicContact CD2-CD1 4.48Å; L37-L39 HydrophobicContact CD2-CD2 4.1Å; L37-L39 HydrophobicContact CD2-CG 4.23Å; L37-L39 HydrophobicContact CG-CD2 4.08Å; L37-L39 HydrophobicContact CG-CG 4.11Å; L37-E52 HydrophobicContact CD1-CB 3.97Å; L37-S53 CarbonylContact C-O 3.57Å; L37-S53 WeakPolarHBondContact CA-O 3.46Å; L37-S54 WeakPolarHBondContact CD1-OG 3.44Å; L37-R127 VanDerWaalsContact CD2-NH1 3.28Å; L37-F129 HydrophobicContact CD2-CE1 3.78Å; L37-F129 HydrophobicContact CD2-CZ 3.95Å; L37-F129 HydrophobicContact CG-CE1 4.07Å
38K89.4Confident83.5Confident74 Ų7461.1 Ų61.132%0.32232%0.319SS..EExtended strand (participates in β ladder)trans-114.7118.2175.5-175.5167.3174.7165.60108.3T6 W7 N36 S53 D132T6-K38 HydrophobicContact CG2-CD 3.82Å; T6-K38 HydrophobicContact CG2-CG 3.35Å; W7-K38 CarbonylContact O-C 3.46Å; W7-K38 WeakPolarHBondContact O-CA 3.45Å; N36-K38 PolarHBondContact O-N 3.32Å; K38-S53 PolarHBondContact N-O 2.94Å; K38-S53 PolarHBondContact O-N 2.76Å; K38-D132 WeakPolarHBondContact CE-OD1 3.09Å; K38-D132 IonicContact NZ-OD1 3.7Å; K38-D132 PolarHBondContact NZ-OD1 2.96Å
39L89.8Confident84.2Confident0 Ų057.2 Ų57.20%030%0.303CS..EExtended strand (participates in β ladder)trans-104.7110.5-179.2-64.4176.5000109.1T6 W7 L37 V50 K51 E52 L114 F129T6-L39 CarbonylContact C-O 3.53Å; T6-L39 WeakPolarHBondContact CA-O 3.33Å; W7-L39 HydrophobicContact CB-CB 4.26Å; W7-L39 PolarHBondContact N-O 3.1Å; W7-L39 PolarHBondContact O-N 3.46Å; L37-L39 HydrophobicContact CD1-CD2 3.88Å; L37-L39 HydrophobicContact CD1-CG 4.39Å; L37-L39 HydrophobicContact CD2-CD1 4.48Å; L37-L39 HydrophobicContact CD2-CD2 4.1Å; L37-L39 HydrophobicContact CD2-CG 4.23Å; L37-L39 HydrophobicContact CG-CD2 4.08Å; L37-L39 HydrophobicContact CG-CG 4.11Å; L39-V50 HydrophobicContact CD2-CG1 4.23Å; L39-K51 CarbonylContact C-O 3.54Å; L39-K51 VanDerWaalsContact CA-O 3.31Å; L39-K51 WeakPolarHBondContact CA-O 3.33Å; L39-E52 HydrophobicContact CD2-CB 3.97Å; L39-E52 HydrophobicContact CD2-CG 3.58Å; L39-L114 HydrophobicContact CD1-CD2 4.36Å; L39-F129 HydrophobicContact CD1-CD1 3.95Å; L39-F129 HydrophobicContact CD1-CE1 3.48Å; L39-F129 VanDerWaalsContact CD1-CE1 3.48Å; L39-F129 HydrophobicContact CD1-CE2 4.09Å; L39-F129 HydrophobicContact CD1-CG 4.47Å; L39-F129 HydrophobicContact CD1-CZ 3.57Å; L39-F129 HydrophobicContact CG-CD1 4.36Å; L39-F129 HydrophobicContact CG-CE1 3.93Å; L39-F129 HydrophobicContact CG-CZ 4.44Å
40T91.3Very high84.7Confident36 Ų3656.6 Ų56.622%0.22130%0.301CS..EExtended strand (participates in β ladder)trans-95.5112.6168.1-53.90000108.3G5 T6 V50 K51G5-T40 WeakPolarHBondContact O-CA 3Å; T6-T40 VanDerWaalsContact CG2-OG1 3.28Å; T6-T40 WeakPolarHBondContact CG2-OG1 3.39Å; T6-T40 PolarHBondContact OG1-OG1 3Å; T40-V50 CarbonylContact O-C 3.59Å; T40-V50 WeakPolarHBondContact O-CA 3.21Å; T40-K51 PolarHBondContact N-O 2.91Å; T40-K51 PolarHBondContact O-N 2.93Å
41I90.9Very high85.2Confident4 Ų453.5 Ų53.52%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-105127.6-179.8-55.3174.4000107.8F3 N4 G5 F48 T49 V50 L114F3-I41 HydrophobicContact CB-CD1 4.49Å; F3-I41 HydrophobicContact CB-CG2 3.96Å; F3-I41 WeakPolarHBondContact O-CB 3.37Å; N4-I41 WeakPolarHBondContact CA-O 3.34Å; N4-I41 PolarHBondContact OD1-O 2.86Å; G5-I41 PolarHBondContact N-O 2.81Å; G5-I41 VanDerWaalsContact N-O 3.12Å; G5-I41 PolarHBondContact O-N 3.1Å; I41-F48 HydrophobicContact CG2-CD1 4.16Å; I41-T49 CarbonylContact C-O 3.59Å; I41-T49 WeakPolarHBondContact CA-O 3.45Å; I41-V50 HydrophobicContact CG1-CG1 4.27Å; I41-V50 HydrophobicContact CG1-CG2 4.16Å; I41-V50 HydrophobicContact CG2-CG2 4.24Å; I41-L114 HydrophobicContact CD1-CD2 4.02Å
42T90Very high85.8Confident56 Ų5650.6 Ų50.634%0.34427%0.272SS..EExtended strand (participates in β ladder)trans-126.7124.2174.2-47.40000108.8N4 F48 T49N4-T42 VanDerWaalsContact OD1-CA 3.29Å; N4-T42 WeakPolarHBondContact OD1-CA 3.34Å; T42-F48 CarbonylContact O-C 3.47Å; T42-F48 WeakPolarHBondContact O-CA 3.38Å; T42-T49 PolarHBondContact N-O 2.85Å; T42-T49 PolarHBondContact O-N 2.81Å
43Q87Confident86.3Confident46 Ų4651.6 Ų51.622%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-107.8122.5177-179.3-174.25.200109.3M1 N4 G45 K47 F48M1-Q43 VanDerWaalsContact N-OE1 3.11Å; N4-Q43 PolarHBondContact OD1-N 2.78Å; Q43-G45 PolarHBondContact NE2-O 2.94Å; Q43-K47 WeakPolarHBondContact CA-O 3.5Å; Q43-F48 HydrophobicContact CB-CD1 4.17Å; Q43-F48 HydrophobicContact CB-CE1 3.9Å; Q43-F48 HydrophobicContact CB-CE2 4.48Å; Q43-F48 HydrophobicContact CB-CZ 4.08Å; Q43-F48 HydrophobicContact CG-CD1 4.36Å; Q43-F48 HydrophobicContact CG-CD2 4.22Å; Q43-F48 HydrophobicContact CG-CE1 3.88Å; Q43-F48 HydrophobicContact CG-CE2 3.67Å; Q43-F48 HydrophobicContact CG-CZ 3.51Å
44E88.1Confident86.7Confident132 Ų13250.5 Ų50.562%0.61727%0.268SS*.EExtended strand (participates in β ladder)trans-119.494.2171.2-73.2-174.884.700108.9N46 K47E44-N46 PolarHBondContact O-N 2.72Å; E44-N46 VanDerWaalsContact O-N 3.1Å; E44-K47 PolarHBondContact N-O 2.83Å; E44-K47 WeakPolarHBondContact O-CB 3.26Å; E44-K47 PolarHBondContact O-N 2.79Å
45G86.4Confident86.6Confident54 Ų5448.6 Ų48.656%0.55727%0.267SS*.THydrogen-bonded Turntrans60.9-113.3-173.600000111.7Q43Q43-G45 PolarHBondContact NE2-O 2.94Å
46N86.8Confident86.3Confident112 Ų11253.4 Ų53.460%0.59929%0.287SS*.THydrogen-bonded Turntrans-92.2-8.6177.6-702.2000113.5E44 E64 L65E44-N46 PolarHBondContact O-N 2.72Å; E44-N46 VanDerWaalsContact O-N 3.1Å; N46-E64 WeakPolarHBondContact O-CA 3.36Å; N46-L65 PolarHBondContact O-N 3.01Å
47K89.1Confident85.8Confident91 Ų9152.5 Ų52.540%0.39628%0.277SS..EExtended strand (participates in β ladder)trans-92.5129.8-179.7-171.8178.5177.4-175.40109.8Q43 E44 V62 E64Q43-K47 WeakPolarHBondContact CA-O 3.5Å; E44-K47 PolarHBondContact N-O 2.83Å; E44-K47 WeakPolarHBondContact O-CB 3.26Å; E44-K47 PolarHBondContact O-N 2.79Å; K47-V62 HydrophobicContact CD-CG1 4.16Å; K47-V62 HydrophobicContact CG-CG1 4.01Å; K47-E64 HydrophobicContact CB-CG 4.23Å; K47-E64 HydrophobicContact CG-CG 4.22Å
48F89.8Confident85.6Confident0 Ų057.7 Ų57.70%030%0.304CS..EExtended strand (participates in β ladder)trans-116127.7176.2-79.1-106.1000109.2I41 T42 Q43 V62 F63 L65 L90I41-F48 HydrophobicContact CG2-CD1 4.16Å; T42-F48 CarbonylContact O-C 3.47Å; T42-F48 WeakPolarHBondContact O-CA 3.38Å; Q43-F48 HydrophobicContact CB-CD1 4.17Å; Q43-F48 HydrophobicContact CB-CE1 3.9Å; Q43-F48 HydrophobicContact CB-CE2 4.48Å; Q43-F48 HydrophobicContact CB-CZ 4.08Å; Q43-F48 HydrophobicContact CG-CD1 4.36Å; Q43-F48 HydrophobicContact CG-CD2 4.22Å; Q43-F48 HydrophobicContact CG-CE1 3.88Å; Q43-F48 HydrophobicContact CG-CE2 3.67Å; Q43-F48 HydrophobicContact CG-CZ 3.51Å; F48-V62 WeakPolarHBondContact O-CA 3.43Å; F48-F63 HydrophobicContact CB-CD1 4.38Å; F48-F63 HydrophobicContact CB-CD2 3.86Å; F48-F63 HydrophobicContact CB-CE1 3.94Å; F48-F63 HydrophobicContact CB-CE2 3.35Å; F48-F63 HydrophobicContact CB-CG 4.35Å; F48-F63 HydrophobicContact CB-CZ 3.39Å; F48-F63 HydrophobicContact CD1-CZ 4.4Å; F48-F63 HydrophobicContact CD2-CE2 4.21Å; F48-F63 AromaticContact CG-CE2 3.8Å; F48-F63 HydrophobicContact CG-CE2 3.8Å; F48-F63 HydrophobicContact CG-CZ 4.01Å; F48-F63 PolarHBondContact N-O 2.77Å; F48-F63 PolarHBondContact O-N 3Å; F48-L65 HydrophobicContact CD2-CD1 4.28Å; F48-L65 HydrophobicContact CD2-CD2 3.97Å; F48-L65 HydrophobicContact CD2-CG 3.82Å; F48-L65 HydrophobicContact CE2-CD1 3.51Å; F48-L65 HydrophobicContact CE2-CD2 3.76Å; F48-L65 HydrophobicContact CE2-CG 3.55Å; F48-L65 HydrophobicContact CZ-CD1 4.3Å; F48-L65 HydrophobicContact CZ-CD2 4.47Å; F48-L90 HydrophobicContact CE1-CD1 4.16Å; F48-L90 HydrophobicContact CZ-CD1 4.14Å
49T90.4Very high85.4Confident18 Ų1856.2 Ų56.211%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-109.7111.5173.1-59.20000107.4I41 T42 E60 V62I41-T49 CarbonylContact C-O 3.59Å; I41-T49 WeakPolarHBondContact CA-O 3.45Å; T42-T49 PolarHBondContact N-O 2.85Å; T42-T49 PolarHBondContact O-N 2.81Å; T49-E60 HydrophobicContact CG2-CG 3.83Å; T49-V62 HydrophobicContact CG2-CG2 4.1Å
50V89.7Confident85.2Confident2 Ų261.5 Ų61.51%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-111.8108178.2-179.20000108.4L39 T40 I41 E52 V61 F63L39-V50 HydrophobicContact CD2-CG1 4.23Å; T40-V50 CarbonylContact O-C 3.59Å; T40-V50 WeakPolarHBondContact O-CA 3.21Å; I41-V50 HydrophobicContact CG1-CG1 4.27Å; I41-V50 HydrophobicContact CG1-CG2 4.16Å; I41-V50 HydrophobicContact CG2-CG2 4.24Å; V50-E52 HydrophobicContact CG1-CG 4.09Å; V50-V61 PolarHBondContact N-O 2.94Å; V50-V61 PolarHBondContact O-N 2.7Å; V50-F63 HydrophobicContact CB-CE1 4.31Å; V50-F63 HydrophobicContact CG2-CE1 3.53Å; V50-F63 HydrophobicContact CG2-CZ 4Å
51K89.7Confident85Confident93 Ų9360.6 Ų60.640%0.40432%0.319SS..EExtended strand (participates in β ladder)trans-88.8116171.1-67.6176.1170.7-179.90109L39 T40 I59 E60L39-K51 CarbonylContact C-O 3.54Å; L39-K51 VanDerWaalsContact CA-O 3.31Å; L39-K51 WeakPolarHBondContact CA-O 3.33Å; T40-K51 PolarHBondContact N-O 2.91Å; T40-K51 PolarHBondContact O-N 2.93Å; K51-I59 CarbonylContact C-O 3.56Å; K51-I59 WeakPolarHBondContact CA-O 3.49Å; K51-E60 WeakPolarHBondContact CE-OE2 3.41Å; K51-E60 HydrophobicContact CG-CB 4.21Å; K51-E60 HydrophobicContact CG-CG 3.88Å; K51-E60 IonicContact NZ-OE2 3.2Å; K51-E60 PolarHBondContact NZ-OE2 3.13Å
52E88.4Confident84.9Confident28 Ų2863.2 Ų63.213%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-98.8109.8174.1-46.3-172.39500107.6L37 L39 V50 N58 I59 Y71L37-E52 HydrophobicContact CD1-CB 3.97Å; L39-E52 HydrophobicContact CD2-CB 3.97Å; L39-E52 HydrophobicContact CD2-CG 3.58Å; V50-E52 HydrophobicContact CG1-CG 4.09Å; E52-N58 WeakPolarHBondContact O-CA 3.37Å; E52-I59 HydrophobicContact CB-CD1 4.38Å; E52-I59 HydrophobicContact CB-CG1 3.93Å; E52-I59 HydrophobicContact CG-CG1 4.45Å; E52-I59 PolarHBondContact N-O 3.1Å; E52-I59 PolarHBondContact O-N 2.89Å; E52-I59 VanDerWaalsContact OE2-CD1 3.28Å; E52-I59 WeakPolarHBondContact OE2-CD1 3.28Å; E52-Y71 PolarHBondContact OE2-OH 2.84Å
53S86.5Confident84.7Confident34 Ų3460.9 Ų60.924%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-108.3113.7175.8-62.70000109.5L37 K38 N58L37-S53 CarbonylContact C-O 3.57Å; L37-S53 WeakPolarHBondContact CA-O 3.46Å; K38-S53 PolarHBondContact N-O 2.94Å; K38-S53 PolarHBondContact O-N 2.76Å; S53-N58 VanDerWaalsContact CA-OD1 3.29Å; S53-N58 WeakPolarHBondContact CA-OD1 3.5Å; S53-N58 WeakPolarHBondContact CB-ND2 3.39Å; S53-N58 PolarHBondContact OG-ND2 3.39Å; S53-N58 VanDerWaalsContact OG-ND2 3.07Å
54S81.9Confident84.9Confident25 Ų2563.6 Ų63.618%0.17533%0.333CS..  trans-129.3155.9-171.1-85.30000109.1D35 L37 F56 R57 N58D35-S54 VanDerWaalsContact CG-CB 3.44Å; D35-S54 WeakPolarHBondContact OD1-CB 3.38Å; D35-S54 PolarHBondContact OD1-OG 3.5Å; D35-S54 WeakPolarHBondContact OD2-CB 3.46Å; L37-S54 WeakPolarHBondContact CD1-OG 3.44Å; S54-F56 PolarHBondContact O-N 3.38Å; S54-F56 VanDerWaalsContact O-N 3.12Å; S54-R57 VanDerWaalsContact CB-O 3.28Å; S54-R57 WeakPolarHBondContact CB-O 3.31Å; S54-R57 PolarHBondContact N-O 2.94Å; S54-R57 PolarHBondContact O-N 3.48Å; S54-N58 PolarHBondContact N-OD1 3.27Å; S54-N58 PolarHBondContact O-OD1 2.94Å
55T73.1Confident85Confident108 Ų10859.1 Ų59.166%0.66331%0.313SS*.SBendtrans-59.4-24.7173.4-43.60000111.2D35D35-T55 VanDerWaalsContact C-OG1 3.25Å; D35-T55 PolarHBondContact O-N 3.19Å; D35-T55 PolarHBondContact O-OG1 2.75Å; D35-T55 PolarHBondContact OD2-N 2.79Å
56F67.5Low85Confident111 Ų11159.1 Ų59.149%0.48731%0.313SS..SBendtrans-78.5-47.1174.1-78.1-74.7000115.3L31 A32 D35 S54L31-F56 HydrophobicContact CB-CE1 4.38Å; L31-F56 HydrophobicContact CB-CE2 3.61Å; L31-F56 HydrophobicContact CB-CZ 3.25Å; L31-F56 HydrophobicContact CD1-CE1 4.16Å; L31-F56 HydrophobicContact CD1-CZ 3.74Å; L31-F56 HydrophobicContact CG-CZ 4.12Å; A32-F56 HydrophobicContact CB-CE2 4.44Å; D35-F56 HydrophobicContact CB-CD2 4.2Å; D35-F56 HydrophobicContact CB-CE2 4.43Å; D35-F56 WeakPolarHBondContact OD2-CD2 3.5Å; D35-F56 PolarHBondContact OD2-N 2.83Å; D35-F56 VanDerWaalsContact OD2-N 3.13Å; S54-F56 PolarHBondContact O-N 3.38Å; S54-F56 VanDerWaalsContact O-N 3.12Å
57R70.3Confident85.1Confident74 Ų7457.1 Ų57.128%0.27931%0.305SS..  trans-163.3152.7-173.267.2-179.9-168.2171.22.5111.1S54 I59 Y71 N72 L73 A74S54-R57 VanDerWaalsContact CB-O 3.28Å; S54-R57 WeakPolarHBondContact CB-O 3.31Å; S54-R57 PolarHBondContact N-O 2.94Å; S54-R57 PolarHBondContact O-N 3.48Å; R57-I59 HydrophobicContact CG-CG2 4.23Å; R57-Y71 PolarHBondContact NH2-OH 3.01Å; R57-N72 PolarHBondContact NH1-O 3.49Å; R57-N72 PolarHBondContact NH2-O 3.38Å; R57-L73 VanDerWaalsContact NH2-C 3.34Å; R57-A74 VanDerWaalsContact NH1-CA 3.27Å
58N82.4Confident85Confident113 Ų11357 Ų5760%0.60431%0.312SS*.EExtended strand (participates in β ladder)trans-108.7124.9166.4-7524.3000109E52 S53 S54E52-N58 WeakPolarHBondContact O-CA 3.37Å; S53-N58 VanDerWaalsContact CA-OD1 3.29Å; S53-N58 WeakPolarHBondContact CA-OD1 3.5Å; S53-N58 WeakPolarHBondContact CB-ND2 3.39Å; S53-N58 PolarHBondContact OG-ND2 3.39Å; S53-N58 VanDerWaalsContact OG-ND2 3.07Å; S54-N58 PolarHBondContact N-OD1 3.27Å; S54-N58 PolarHBondContact O-OD1 2.94Å
59I84.6Confident84.9Confident44 Ų4458.5 Ų58.523%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-133.7149.817853161.1000110K51 E52 R57 V61 Y71K51-I59 CarbonylContact C-O 3.56Å; K51-I59 WeakPolarHBondContact CA-O 3.49Å; E52-I59 HydrophobicContact CB-CD1 4.38Å; E52-I59 HydrophobicContact CB-CG1 3.93Å; E52-I59 HydrophobicContact CG-CG1 4.45Å; E52-I59 PolarHBondContact N-O 3.1Å; E52-I59 PolarHBondContact O-N 2.89Å; E52-I59 VanDerWaalsContact OE2-CD1 3.28Å; E52-I59 WeakPolarHBondContact OE2-CD1 3.28Å; R57-I59 HydrophobicContact CG-CG2 4.23Å; I59-V61 HydrophobicContact CD1-CG2 4.17Å; I59-Y71 HydrophobicContact CD1-CE2 3.7Å; I59-Y71 WeakPolarHBondContact CD1-OH 3.48Å
60E86Confident84.6Confident111 Ų11162.5 Ų62.552%0.51934%0.339SS..EExtended strand (participates in β ladder)trans-112.1124.4173.4-174.8-178.596.500108.4T49 K51 V62T49-E60 HydrophobicContact CG2-CG 3.83Å; K51-E60 WeakPolarHBondContact CE-OE2 3.41Å; K51-E60 HydrophobicContact CG-CB 4.21Å; K51-E60 HydrophobicContact CG-CG 3.88Å; K51-E60 IonicContact NZ-OE2 3.2Å; K51-E60 PolarHBondContact NZ-OE2 3.13Å; E60-V62 HydrophobicContact CG-CG2 4.12Å
61V86.3Confident84.1Confident16 Ų1664.1 Ų64.110%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-112.8114.8178.3-168.90000107.9V50 I59 F63 F69 Y71V50-V61 PolarHBondContact N-O 2.94Å; V50-V61 PolarHBondContact O-N 2.7Å; I59-V61 HydrophobicContact CD1-CG2 4.17Å; V61-F63 HydrophobicContact CG1-CD1 4.22Å; V61-F69 HydrophobicContact CG1-CD2 4.45Å; V61-F69 HydrophobicContact CG1-CE2 3.7Å; V61-F69 HydrophobicContact CG1-CZ 4.38Å; V61-Y71 HydrophobicContact CG1-CD2 4.04Å; V61-Y71 HydrophobicContact CG1-CE2 4.37Å; V61-Y71 HydrophobicContact CG2-CD2 3.88Å; V61-Y71 HydrophobicContact CG2-CE2 3.38Å
62V88.8Confident83.5Confident60 Ų6063.6 Ų63.636%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-108.7122.1177-176.30000107.9K47 F48 T49 E60K47-V62 HydrophobicContact CD-CG1 4.16Å; K47-V62 HydrophobicContact CG-CG1 4.01Å; F48-V62 WeakPolarHBondContact O-CA 3.43Å; T49-V62 HydrophobicContact CG2-CG2 4.1Å; E60-V62 HydrophobicContact CG-CG2 4.12Å
63F86.9Confident82.7Confident6 Ų664.3 Ų64.33%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-138.7155.8178.161.4-94.9000110.9F48 V50 V61 F69 W83 L90F48-F63 HydrophobicContact CB-CD1 4.38Å; F48-F63 HydrophobicContact CB-CD2 3.86Å; F48-F63 HydrophobicContact CB-CE1 3.94Å; F48-F63 HydrophobicContact CB-CE2 3.35Å; F48-F63 HydrophobicContact CB-CG 4.35Å; F48-F63 HydrophobicContact CB-CZ 3.39Å; F48-F63 HydrophobicContact CD1-CZ 4.4Å; F48-F63 HydrophobicContact CD2-CE2 4.21Å; F48-F63 AromaticContact CG-CE2 3.8Å; F48-F63 HydrophobicContact CG-CE2 3.8Å; F48-F63 HydrophobicContact CG-CZ 4.01Å; F48-F63 PolarHBondContact N-O 2.77Å; F48-F63 PolarHBondContact O-N 3Å; V50-F63 HydrophobicContact CB-CE1 4.31Å; V50-F63 HydrophobicContact CG2-CE1 3.53Å; V50-F63 HydrophobicContact CG2-CZ 4Å; V61-F63 HydrophobicContact CG1-CD1 4.22Å; F63-F69 HydrophobicContact CB-CD1 3.77Å; F63-F69 HydrophobicContact CB-CD2 4.45Å; F63-F69 HydrophobicContact CB-CE1 3.72Å; F63-F69 HydrophobicContact CB-CE2 4.38Å; F63-F69 HydrophobicContact CB-CG 4.15Å; F63-F69 HydrophobicContact CB-CZ 4.02Å; F63-F69 HydrophobicContact CD1-CZ 4.24Å; F63-F69 HydrophobicContact CG-CE1 4.15Å; F63-F69 HydrophobicContact CG-CZ 4.27Å; F63-W83 AromaticContact CD1-CD1 3.6Å; F63-W83 AromaticContact CD1-NE1 3.78Å; F63-W83 HydrophobicContact CD2-CB 3.61Å; F63-W83 AromaticContact CD2-CD1 3.29Å; F63-W83 AromaticContact CD2-CG 3.69Å; F63-W83 HydrophobicContact CD2-CG 3.69Å; F63-W83 AromaticContact CE1-CD1 3.55Å; F63-W83 HydrophobicContact CE1-CG 4.3Å; F63-W83 AromaticContact CE1-NE1 3.48Å; F63-W83 HydrophobicContact CE2-CB 3.39Å; F63-W83 AromaticContact CE2-CD1 3.24Å; F63-W83 HydrophobicContact CE2-CD2 4.17Å; F63-W83 AromaticContact CE2-CG 3.34Å; F63-W83 HydrophobicContact CE2-CG 3.34Å; F63-W83 AromaticContact CE2-NE1 3.95Å; F63-W83 AromaticContact CG-CD1 3.46Å; F63-W83 VanDerWaalsContact CG-CD1 3.46Å; F63-W83 HydrophobicContact CG-CG 4.31Å; F63-W83 HydrophobicContact CZ-CB 4.22Å; F63-W83 AromaticContact CZ-CD1 3.38Å; F63-W83 HydrophobicContact CZ-CD2 4.1Å; F63-W83 AromaticContact CZ-CG 3.69Å; F63-W83 HydrophobicContact CZ-CG 3.69Å; F63-W83 AromaticContact CZ-NE1 3.58Å; F63-L90 HydrophobicContact CE2-CD2 4.4Å; F63-L90 HydrophobicContact CZ-CD2 4.04Å
64E90.4Very high81.6Confident103 Ų10366 Ų6648%0.48137%0.367SS..EExtended strand (participates in β ladder)trans-108.5141.5173.7-66.6-177.988.200109.5N46 K47 G66 V67N46-E64 WeakPolarHBondContact O-CA 3.36Å; K47-E64 HydrophobicContact CB-CG 4.23Å; K47-E64 HydrophobicContact CG-CG 4.22Å; E64-G66 PolarHBondContact O-N 3.18Å; E64-V67 HydrophobicContact CB-CB 3.96Å; E64-V67 HydrophobicContact CB-CG2 3.64Å; E64-V67 PolarHBondContact O-N 3.28Å; E64-V67 VanDerWaalsContact O-N 3.08Å
65L89.3Confident80.8Confident38 Ų3868 Ų6820%0.19938%0.376CS..BIsolated β-bridgetrans-60.7128.5177.7-67.7178.6000110.5N46 F48 V67 W83 L85 L90N46-L65 PolarHBondContact O-N 3.01Å; F48-L65 HydrophobicContact CD2-CD1 4.28Å; F48-L65 HydrophobicContact CD2-CD2 3.97Å; F48-L65 HydrophobicContact CD2-CG 3.82Å; F48-L65 HydrophobicContact CE2-CD1 3.51Å; F48-L65 HydrophobicContact CE2-CD2 3.76Å; F48-L65 HydrophobicContact CE2-CG 3.55Å; F48-L65 HydrophobicContact CZ-CD1 4.3Å; F48-L65 HydrophobicContact CZ-CD2 4.47Å; L65-V67 VanDerWaalsContact C-N 3.27Å; L65-V67 PolarHBondContact O-N 2.92Å; L65-W83 CarbonylContact C-O 3.45Å; L65-W83 WeakPolarHBondContact CA-O 3.42Å; L65-W83 HydrophobicContact CD2-CB 4.32Å; L65-L85 HydrophobicContact CD1-CB 3.7Å; L65-L85 HydrophobicContact CD1-CD2 4.21Å; L65-L85 HydrophobicContact CD2-CB 4.06Å; L65-L90 HydrophobicContact CD2-CD1 3.76Å
66G86.8Confident80.6Confident55 Ų5565.4 Ų65.457%0.56737%0.371SS*.THydrogen-bonded Turntrans81.2-1.9-177.700000114.7E64 W83E64-G66 PolarHBondContact O-N 3.18Å; G66-W83 PolarHBondContact N-O 2.93Å
67V89.1Confident81Confident69 Ų6961 Ų6142%0.41835%0.353SS..  trans-100.7130.2-179.6-177.60000110.4E64 L65E64-V67 HydrophobicContact CB-CB 3.96Å; E64-V67 HydrophobicContact CB-CG2 3.64Å; E64-V67 PolarHBondContact O-N 3.28Å; E64-V67 VanDerWaalsContact O-N 3.08Å; L65-V67 VanDerWaalsContact C-N 3.27Å; L65-V67 PolarHBondContact O-N 2.92Å
68T87.6Confident81.6Confident90 Ų9062 Ų6255%0.55236%0.361SS*.EExtended strand (participates in β ladder)trans-75.8129.5177.3-51.20000109.4G81 T82T68-G81 CarbonylContact C-O 3.57Å; T68-G81 VanDerWaalsContact CA-O 3.29Å; T68-G81 WeakPolarHBondContact CA-O 3.29Å; T68-T82 VanDerWaalsContact CA-CG2 3.43Å; T68-T82 HydrophobicContact CG2-CG2 4.27Å; T68-T82 WeakPolarHBondContact OG1-CG2 3.5Å
69F86.4Confident81.8Confident31 Ų3156.9 Ų56.914%0.13633%0.334CS..EExtended strand (participates in β ladder)trans-132.9155.6176.271.8-74.9000110.6V61 F63 S80 G81 W83 F94V61-F69 HydrophobicContact CG1-CD2 4.45Å; V61-F69 HydrophobicContact CG1-CE2 3.7Å; V61-F69 HydrophobicContact CG1-CZ 4.38Å; F63-F69 HydrophobicContact CB-CD1 3.77Å; F63-F69 HydrophobicContact CB-CD2 4.45Å; F63-F69 HydrophobicContact CB-CE1 3.72Å; F63-F69 HydrophobicContact CB-CE2 4.38Å; F63-F69 HydrophobicContact CB-CG 4.15Å; F63-F69 HydrophobicContact CB-CZ 4.02Å; F63-F69 HydrophobicContact CD1-CZ 4.24Å; F63-F69 HydrophobicContact CG-CE1 4.15Å; F63-F69 HydrophobicContact CG-CZ 4.27Å; F69-S80 WeakPolarHBondContact O-CA 3.07Å; F69-G81 VanDerWaalsContact CD1-O 3.26Å; F69-G81 WeakPolarHBondContact CD1-O 3.45Å; F69-G81 PolarHBondContact N-O 3.07Å; F69-G81 PolarHBondContact O-N 3.04Å; F69-W83 AromaticContact CE1-CD1 3.41Å; F69-W83 VanDerWaalsContact CE1-CD1 3.41Å; F69-W83 HydrophobicContact CE1-CG 4.46Å; F69-W83 AromaticContact CE1-NE1 3.95Å; F69-W83 AromaticContact CZ-CD1 3.58Å; F69-W83 AromaticContact CZ-NE1 3.63Å; F69-F94 AromaticContact CE1-CE1 3.74Å; F69-F94 HydrophobicContact CE1-CE1 3.74Å; F69-F94 AromaticContact CE1-CZ 3.97Å; F69-F94 HydrophobicContact CE1-CZ 3.97Å; F69-F94 HydrophobicContact CE2-CE1 4.19Å; F69-F94 AromaticContact CZ-CE1 3.44Å; F69-F94 HydrophobicContact CZ-CE1 3.44Å; F69-F94 VanDerWaalsContact CZ-CE1 3.44Å; F69-F94 AromaticContact CZ-CZ 3.67Å; F69-F94 HydrophobicContact CZ-CZ 3.67Å
70N85Confident82Confident101 Ų10156.5 Ų56.554%0.5434%0.335SS..EExtended strand (participates in β ladder)trans-99.7134.8176.2-69.950.6000109L79 S80N70-L79 CarbonylContact C-O 3.49Å; N70-L79 WeakPolarHBondContact CA-O 3.4Å; N70-S80 PolarHBondContact OD1-OG 3.33Å
71Y79.1Confident82.2Confident37 Ų3751.5 Ų51.515%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-132.7136.5-176.9177-100.6000110.5E52 R57 I59 V61 L73 L79E52-Y71 PolarHBondContact OE2-OH 2.84Å; R57-Y71 PolarHBondContact NH2-OH 3.01Å; I59-Y71 HydrophobicContact CD1-CE2 3.7Å; I59-Y71 WeakPolarHBondContact CD1-OH 3.48Å; V61-Y71 HydrophobicContact CG1-CD2 4.04Å; V61-Y71 HydrophobicContact CG1-CE2 4.37Å; V61-Y71 HydrophobicContact CG2-CD2 3.88Å; V61-Y71 HydrophobicContact CG2-CE2 3.38Å; Y71-L73 HydrophobicContact CD1-CD2 4.49Å; Y71-L73 HydrophobicContact CD1-CG 4.46Å; Y71-L73 HydrophobicContact CE1-CD2 3.75Å; Y71-L73 HydrophobicContact CE1-CG 4.1Å; Y71-L79 HydrophobicContact CD1-CD1 4.17Å; Y71-L79 PolarHBondContact N-O 2.5Å; Y71-L79 PolarHBondContact O-N 3.16Å
72N77Confident82.4Confident81 Ų8152.2 Ų52.243%0.43332%0.317SS..EExtended strand (participates in β ladder)trans-106.1115.8179.9-77.2-90.5000110R57 E78R57-N72 PolarHBondContact NH1-O 3.49Å; R57-N72 PolarHBondContact NH2-O 3.38Å; N72-E78 WeakPolarHBondContact OD1-CG 3.26Å
73L71.1Confident82.4Confident44 Ų4449.8 Ų49.823%0.2330%0.302CS..  trans-65.7160.3172.4-75.5168.3000111.1M22 R57 Y71 D75 G76 T77 L79M22-L73 HydrophobicContact CE-CD1 4.2Å; R57-L73 VanDerWaalsContact NH2-C 3.34Å; Y71-L73 HydrophobicContact CD1-CD2 4.49Å; Y71-L73 HydrophobicContact CD1-CG 4.46Å; Y71-L73 HydrophobicContact CE1-CD2 3.75Å; Y71-L73 HydrophobicContact CE1-CG 4.1Å; L73-D75 PolarHBondContact O-N 3.33Å; L73-D75 VanDerWaalsContact O-N 3.12Å; L73-G76 PolarHBondContact O-N 2.95Å; L73-T77 WeakPolarHBondContact CB-O 2.98Å; L73-T77 HydrophobicContact CD1-CG2 4.02Å; L73-T77 PolarHBondContact N-O 2.86Å; L73-L79 HydrophobicContact CD1-CD1 3.63Å; L73-L79 HydrophobicContact CD1-CD2 4.45Å; L73-L79 HydrophobicContact CD1-CG 4.02Å; L73-L79 HydrophobicContact CD2-CD1 4.19Å; L73-L79 HydrophobicContact CG-CD1 3.73Å; L73-L79 HydrophobicContact CG-CG 4.25Å
74A65Low82.6Confident69 Ų6951.7 Ų51.757%0.5732%0.316SS*.THydrogen-bonded Turntrans-60.6-22.6178.400000113.1R57 G76R57-A74 VanDerWaalsContact NH1-CA 3.27Å; A74-G76 VanDerWaalsContact C-N 3.28Å
75D63.9Low82.5Confident66 Ų6650.1 Ų50.135%0.35331%0.31SS..THydrogen-bonded Turntrans-82.9-3.7177.7-155.4-119.6000113.3K28 L73 T77K28-D75 IonicContact NZ-OD2 2.64Å; K28-D75 PolarHBondContact NZ-OD2 2.77Å; L73-D75 PolarHBondContact O-N 3.33Å; L73-D75 VanDerWaalsContact O-N 3.12Å; D75-T77 VanDerWaalsContact C-N 3.34Å
76G69.3Low82.3Confident55 Ų5554.6 Ų54.657%0.56733%0.33SS*.SBendtrans87.2-0.7-17500000114.1L73 A74 E78L73-G76 PolarHBondContact O-N 2.95Å; A74-G76 VanDerWaalsContact C-N 3.28Å; G76-E78 PolarHBondContact O-N 3.35Å
77T75.8Confident82.2Confident18 Ų1855.1 Ų55.111%0.1134%0.336CS..  trans-68.9122173.4-66.10000110.5L73 D75 L79 R96L73-T77 WeakPolarHBondContact CB-O 2.98Å; L73-T77 HydrophobicContact CD1-CG2 4.02Å; L73-T77 PolarHBondContact N-O 2.86Å; D75-T77 VanDerWaalsContact C-N 3.34Å; T77-L79 HydrophobicContact CG2-CD2 4.33Å; T77-R96 HydrophobicContact CG2-CG 4.21Å; T77-R96 VanDerWaalsContact CG2-NE 3.33Å; T77-R96 PolarHBondContact OG1-NH2 2.75Å
78E82.9Confident81.8Confident94 Ų9457.7 Ų57.744%0.43935%0.347SS..EExtended strand (participates in β ladder)trans-79131.7169.5-76.4-177.790.500111.8N72 G76 T97N72-E78 WeakPolarHBondContact OD1-CG 3.26Å; G76-E78 PolarHBondContact O-N 3.35Å; E78-T97 WeakPolarHBondContact CB-OG1 3.47Å; E78-T97 PolarHBondContact O-N 2.97Å; E78-T97 PolarHBondContact O-OG1 3.31Å
79L85.9Confident81.9Confident7 Ų757.4 Ų57.44%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-119.5134.8173.1-63.6177.6000108.4N70 Y71 L73 T77 F94 K95 R96 L103N70-L79 CarbonylContact C-O 3.49Å; N70-L79 WeakPolarHBondContact CA-O 3.4Å; Y71-L79 HydrophobicContact CD1-CD1 4.17Å; Y71-L79 PolarHBondContact N-O 2.5Å; Y71-L79 PolarHBondContact O-N 3.16Å; L73-L79 HydrophobicContact CD1-CD1 3.63Å; L73-L79 HydrophobicContact CD1-CD2 4.45Å; L73-L79 HydrophobicContact CD1-CG 4.02Å; L73-L79 HydrophobicContact CD2-CD1 4.19Å; L73-L79 HydrophobicContact CG-CD1 3.73Å; L73-L79 HydrophobicContact CG-CG 4.25Å; T77-L79 HydrophobicContact CG2-CD2 4.33Å; L79-F94 HydrophobicContact CB-CB 4.45Å; L79-F94 HydrophobicContact CB-CD1 4.31Å; L79-K95 CarbonylContact C-O 3.57Å; L79-K95 WeakPolarHBondContact CA-O 3.06Å; L79-R96 HydrophobicContact CD2-CB 4.26Å; L79-R96 HydrophobicContact CD2-CG 3.44Å; L79-R96 VanDerWaalsContact CD2-CG 3.44Å; L79-L103 HydrophobicContact CD1-CD1 4.06Å; L79-L103 HydrophobicContact CD2-CD1 4.17Å
80S88.9Confident82Confident36 Ų3656.1 Ų56.125%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-117.6130.1167.8-173.80000108.9F69 N70 F94 K95F69-S80 WeakPolarHBondContact O-CA 3.07Å; N70-S80 PolarHBondContact OD1-OG 3.33Å; S80-F94 CarbonylContact O-C 3.53Å; S80-K95 PolarHBondContact N-O 3.47Å; S80-K95 PolarHBondContact O-N 2.85Å
81G90.1Very high82.3Confident5 Ų552.7 Ų52.75%0.05231%0.314CS..EExtended strand (participates in β ladder)trans-168.5176.7-173.600000114.7T68 F69 K93T68-G81 CarbonylContact C-O 3.57Å; T68-G81 VanDerWaalsContact CA-O 3.29Å; T68-G81 WeakPolarHBondContact CA-O 3.29Å; F69-G81 VanDerWaalsContact CD1-O 3.26Å; F69-G81 WeakPolarHBondContact CD1-O 3.45Å; F69-G81 PolarHBondContact N-O 3.07Å; F69-G81 PolarHBondContact O-N 3.04Å; G81-K93 CarbonylContact C-O 3.59Å; G81-K93 WeakPolarHBondContact CA-O 3.3Å
82T90.6Very high82.9Confident31 Ų3150.9 Ų50.919%0.1931%0.307CS..EExtended strand (participates in β ladder)trans-126.914817952.30000109.5T68 G92 K93T68-T82 VanDerWaalsContact CA-CG2 3.43Å; T68-T82 HydrophobicContact CG2-CG2 4.27Å; T68-T82 WeakPolarHBondContact OG1-CG2 3.5Å; T82-G92 WeakPolarHBondContact O-CA 3.28Å; T82-K93 PolarHBondContact N-O 3.23Å; T82-K93 PolarHBondContact O-N 2.84Å
83W90.6Very high83.5Confident10 Ų1053 Ų534%0.03831%0.312CS..EExtended strand (participates in β ladder)trans-102.6134.3163.8-75.3106.2000109.6F63 L65 G66 F69 L90 I91 G92 F94 T105 R107F63-W83 AromaticContact CD1-CD1 3.6Å; F63-W83 AromaticContact CD1-NE1 3.78Å; F63-W83 HydrophobicContact CD2-CB 3.61Å; F63-W83 AromaticContact CD2-CD1 3.29Å; F63-W83 AromaticContact CD2-CG 3.69Å; F63-W83 HydrophobicContact CD2-CG 3.69Å; F63-W83 AromaticContact CE1-CD1 3.55Å; F63-W83 HydrophobicContact CE1-CG 4.3Å; F63-W83 AromaticContact CE1-NE1 3.48Å; F63-W83 HydrophobicContact CE2-CB 3.39Å; F63-W83 AromaticContact CE2-CD1 3.24Å; F63-W83 HydrophobicContact CE2-CD2 4.17Å; F63-W83 AromaticContact CE2-CG 3.34Å; F63-W83 HydrophobicContact CE2-CG 3.34Å; F63-W83 AromaticContact CE2-NE1 3.95Å; F63-W83 AromaticContact CG-CD1 3.46Å; F63-W83 VanDerWaalsContact CG-CD1 3.46Å; F63-W83 HydrophobicContact CG-CG 4.31Å; F63-W83 HydrophobicContact CZ-CB 4.22Å; F63-W83 AromaticContact CZ-CD1 3.38Å; F63-W83 HydrophobicContact CZ-CD2 4.1Å; F63-W83 AromaticContact CZ-CG 3.69Å; F63-W83 HydrophobicContact CZ-CG 3.69Å; F63-W83 AromaticContact CZ-NE1 3.58Å; L65-W83 CarbonylContact C-O 3.45Å; L65-W83 WeakPolarHBondContact CA-O 3.42Å; L65-W83 HydrophobicContact CD2-CB 4.32Å; G66-W83 PolarHBondContact N-O 2.93Å; F69-W83 AromaticContact CE1-CD1 3.41Å; F69-W83 VanDerWaalsContact CE1-CD1 3.41Å; F69-W83 HydrophobicContact CE1-CG 4.46Å; F69-W83 AromaticContact CE1-NE1 3.95Å; F69-W83 AromaticContact CZ-CD1 3.58Å; F69-W83 AromaticContact CZ-NE1 3.63Å; W83-L90 HydrophobicContact CD2-CD2 3.81Å; W83-L90 HydrophobicContact CD2-CG 4.18Å; W83-L90 HydrophobicContact CE3-CB 4.18Å; W83-L90 HydrophobicContact CE3-CD2 3.4Å; W83-L90 HydrophobicContact CE3-CG 3.46Å; W83-L90 VanDerWaalsContact CE3-CG 3.46Å; W83-L90 HydrophobicContact CG-CD2 4.45Å; W83-L90 HydrophobicContact CH2-CD2 4.24Å; W83-L90 HydrophobicContact CZ3-CB 4.18Å; W83-L90 HydrophobicContact CZ3-CD2 3.63Å; W83-L90 HydrophobicContact CZ3-CG 3.88Å; W83-I91 CarbonylContact C-O 3.56Å; W83-I91 WeakPolarHBondContact CA-O 3.49Å; W83-G92 VanDerWaalsContact CZ3-N 3.34Å; W83-F94 AromaticContact CD1-CZ 3.91Å; W83-F94 HydrophobicContact CD2-CE2 4.38Å; W83-F94 HydrophobicContact CD2-CZ 4.32Å; W83-F94 AromaticContact CE2-CE2 3.82Å; W83-F94 AromaticContact CE2-CZ 3.66Å; W83-F94 HydrophobicContact CG-CZ 4.47Å; W83-F94 HydrophobicContact CH2-CE2 4.49Å; W83-F94 AromaticContact CZ2-CE2 3.88Å; W83-F94 HydrophobicContact CZ2-CE2 3.88Å; W83-F94 HydrophobicContact CZ2-CZ 4.07Å; W83-F94 AromaticContact NE1-CZ 3.41Å; W83-T105 HydrophobicContact CH2-CG2 3.32Å; W83-T105 HydrophobicContact CZ2-CG2 3.82Å; W83-T105 HydrophobicContact CZ3-CG2 3.79Å; W83-R107 HydrophobicContact CH2-CG 4.12Å; W83-R107 HydrophobicContact CZ3-CG 4.37Å
84S89.6Confident84.4Confident46 Ų4651.8 Ų51.832%0.32231%0.305SS..EExtended strand (participates in β ladder)trans-124.3143.2174.6-62.40000108.8L90 I91S84-L90 CarbonylContact O-C 3.5Å; S84-I91 PolarHBondContact N-O 3.36Å; S84-I91 PolarHBondContact O-N 2.81Å
85L88.1Confident85.5Confident70 Ų7054 Ų5437%0.36630%0.302SS..EExtended strand (participates in β ladder)trans-104111.4176.4-173.474.5000108.5F3 L65 L90F3-L85 HydrophobicContact CE2-CD1 4.04Å; L65-L85 HydrophobicContact CD1-CB 3.7Å; L65-L85 HydrophobicContact CD1-CD2 4.21Å; L65-L85 HydrophobicContact CD2-CB 4.06Å; L85-L90 HydrophobicContact CB-CD1 4.38Å; L85-L90 HydrophobicContact CD1-CD1 3.73Å
86E86.3Confident86.6Confident132 Ų13251.6 Ų51.662%0.61729%0.288SS*.EExtended strand (participates in β ladder)trans-107.298.4174.8-68.4-160.489.600109.3N88 K89 I91E86-N88 PolarHBondContact O-N 2.7Å; E86-N88 VanDerWaalsContact O-N 3.1Å; E86-K89 PolarHBondContact N-O 2.91Å; E86-K89 PolarHBondContact O-N 2.84Å; E86-I91 HydrophobicContact CB-CG1 4.24Å; E86-I91 HydrophobicContact CG-CG1 4.2Å
87G83.2Confident87.1Confident66 Ų6653 Ų5368%0.6829%0.285SS*.THydrogen-bonded Turntrans62.9-109.9-17400000111.6
88N82.6Confident87.3Confident122 Ų12257.7 Ų57.765%0.65231%0.31SS*.THydrogen-bonded Turntrans-10716.1176.7-86.6-16000113.2F3 E86F3-N88 WeakPolarHBondContact CZ-O 3.4Å; E86-N88 PolarHBondContact O-N 2.7Å; E86-N88 VanDerWaalsContact O-N 3.1Å
89K88.7Confident87.3Confident85 Ų8558 Ų5837%0.3731%0.314SS..EExtended strand (participates in β ladder)trans-117127.9178.6-53.7-164.4176.5-150.50110.2E86 I91 R107 E108E86-K89 PolarHBondContact N-O 2.91Å; E86-K89 PolarHBondContact O-N 2.84Å; K89-I91 HydrophobicContact CB-CD1 4.16Å; K89-R107 CarbonylContact C-O 3.58Å; K89-R107 WeakPolarHBondContact CA-O 3.46Å; K89-E108 HydrophobicContact CB-CB 4.43Å; K89-E108 HydrophobicContact CD-CB 4.2Å; K89-E108 WeakPolarHBondContact CE-OE2 2.98Å; K89-E108 HydrophobicContact CG-CB 3.89Å; K89-E108 IonicContact NZ-OE1 2.78Å; K89-E108 PolarHBondContact NZ-OE1 2.92Å; K89-E108 IonicContact NZ-OE2 2.81Å; K89-E108 PolarHBondContact NZ-OE2 3.45Å
90L88.8Confident87Confident4 Ų459.2 Ų59.22%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-89.4109.8172-155.781.1000108.1F3 F48 F63 L65 W83 S84 L85 V106 R107F3-L90 HydrophobicContact CZ-CB 4.38Å; F48-L90 HydrophobicContact CE1-CD1 4.16Å; F48-L90 HydrophobicContact CZ-CD1 4.14Å; F63-L90 HydrophobicContact CE2-CD2 4.4Å; F63-L90 HydrophobicContact CZ-CD2 4.04Å; L65-L90 HydrophobicContact CD2-CD1 3.76Å; W83-L90 HydrophobicContact CD2-CD2 3.81Å; W83-L90 HydrophobicContact CD2-CG 4.18Å; W83-L90 HydrophobicContact CE3-CB 4.18Å; W83-L90 HydrophobicContact CE3-CD2 3.4Å; W83-L90 HydrophobicContact CE3-CG 3.46Å; W83-L90 VanDerWaalsContact CE3-CG 3.46Å; W83-L90 HydrophobicContact CG-CD2 4.45Å; W83-L90 HydrophobicContact CH2-CD2 4.24Å; W83-L90 HydrophobicContact CZ3-CB 4.18Å; W83-L90 HydrophobicContact CZ3-CD2 3.63Å; W83-L90 HydrophobicContact CZ3-CG 3.88Å; S84-L90 CarbonylContact O-C 3.5Å; L85-L90 HydrophobicContact CB-CD1 4.38Å; L85-L90 HydrophobicContact CD1-CD1 3.73Å; L90-V106 CarbonylContact O-C 3.53Å; L90-V106 WeakPolarHBondContact O-CA 3.48Å; L90-R107 HydrophobicContact CB-CB 4.03Å; L90-R107 PolarHBondContact N-O 2.85Å; L90-R107 PolarHBondContact O-N 3.01Å
91I91.4Very high86.9Confident28 Ų2859.8 Ų59.814%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-98.1113.6178.9-49.7-63000108.4W83 S84 E86 K89 K93 V106W83-I91 CarbonylContact C-O 3.56Å; W83-I91 WeakPolarHBondContact CA-O 3.49Å; S84-I91 PolarHBondContact N-O 3.36Å; S84-I91 PolarHBondContact O-N 2.81Å; E86-I91 HydrophobicContact CB-CG1 4.24Å; E86-I91 HydrophobicContact CG-CG1 4.2Å; K89-I91 HydrophobicContact CB-CD1 4.16Å; I91-K93 HydrophobicContact CG2-CG 4.41Å; I91-V106 HydrophobicContact CD1-CB 4.24Å; I91-V106 HydrophobicContact CD1-CG1 3.74Å; I91-V106 HydrophobicContact CD1-CG2 3.69Å
92G90.7Very high86.9Confident0 Ų066.2 Ų66.20%036%0.358CS..EExtended strand (participates in β ladder)trans-103.4120.6174.500000110T82 W83 N104 T105T82-G92 WeakPolarHBondContact O-CA 3.28Å; W83-G92 VanDerWaalsContact CZ3-N 3.34Å; G92-N104 CarbonylContact O-C 3.58Å; G92-N104 WeakPolarHBondContact O-CA 3.33Å; G92-T105 WeakPolarHBondContact CA-O 3.01Å; G92-T105 PolarHBondContact N-O 3.34Å; G92-T105 WeakPolarHBondContact O-CG2 2.67Å; G92-T105 PolarHBondContact O-N 3.41Å
93K90.9Very high86.8Confident126 Ų12665.1 Ų65.155%0.54835%0.351SS..EExtended strand (participates in β ladder)trans-108.9107.8174.1-67.1-177.2-179.7178.20107.8G81 T82 I91G81-K93 CarbonylContact C-O 3.59Å; G81-K93 WeakPolarHBondContact CA-O 3.3Å; T82-K93 PolarHBondContact N-O 3.23Å; T82-K93 PolarHBondContact O-N 2.84Å; I91-K93 HydrophobicContact CG2-CG 4.41Å
94F89.6Confident86.8Confident17 Ų1767.6 Ų67.68%0.07537%0.365CS..EExtended strand (participates in β ladder)trans-112.5151178.6-63.6-83.9000110.1F69 L79 S80 W83 E102 L103 T105F69-F94 AromaticContact CE1-CE1 3.74Å; F69-F94 HydrophobicContact CE1-CE1 3.74Å; F69-F94 AromaticContact CE1-CZ 3.97Å; F69-F94 HydrophobicContact CE1-CZ 3.97Å; F69-F94 HydrophobicContact CE2-CE1 4.19Å; F69-F94 AromaticContact CZ-CE1 3.44Å; F69-F94 HydrophobicContact CZ-CE1 3.44Å; F69-F94 VanDerWaalsContact CZ-CE1 3.44Å; F69-F94 AromaticContact CZ-CZ 3.67Å; F69-F94 HydrophobicContact CZ-CZ 3.67Å; L79-F94 HydrophobicContact CB-CB 4.45Å; L79-F94 HydrophobicContact CB-CD1 4.31Å; S80-F94 CarbonylContact O-C 3.53Å; W83-F94 AromaticContact CD1-CZ 3.91Å; W83-F94 HydrophobicContact CD2-CE2 4.38Å; W83-F94 HydrophobicContact CD2-CZ 4.32Å; W83-F94 AromaticContact CE2-CE2 3.82Å; W83-F94 AromaticContact CE2-CZ 3.66Å; W83-F94 HydrophobicContact CG-CZ 4.47Å; W83-F94 HydrophobicContact CH2-CE2 4.49Å; W83-F94 AromaticContact CZ2-CE2 3.88Å; W83-F94 HydrophobicContact CZ2-CE2 3.88Å; W83-F94 HydrophobicContact CZ2-CZ 4.07Å; W83-F94 AromaticContact NE1-CZ 3.41Å; F94-E102 CarbonylContact O-C 3.29Å; F94-E102 WeakPolarHBondContact O-CA 3.27Å; F94-L103 WeakPolarHBondContact CA-O 3.28Å; F94-L103 HydrophobicContact CB-CB 4.16Å; F94-L103 HydrophobicContact CB-CD2 4.41Å; F94-L103 WeakPolarHBondContact CB-O 3.43Å; F94-L103 HydrophobicContact CD2-CD2 4.34Å; F94-L103 PolarHBondContact N-O 3.2Å; F94-L103 CarbonylContact O-C 3.57Å; F94-L103 PolarHBondContact O-N 3.09Å; F94-L103 VanDerWaalsContact O-O 3.11Å; F94-T105 HydrophobicContact CD2-CG2 3.63Å; F94-T105 HydrophobicContact CE2-CG2 3.4Å
95K88.4Confident86.8Confident116 Ų11665.6 Ų65.650%0.50435%0.35SS..EExtended strand (participates in β ladder)trans-128.9130.7174-170175.7-176.3178.50108.2L79 S80 T97 G100 N101L79-K95 CarbonylContact C-O 3.57Å; L79-K95 WeakPolarHBondContact CA-O 3.06Å; S80-K95 PolarHBondContact N-O 3.47Å; S80-K95 PolarHBondContact O-N 2.85Å; K95-T97 PolarHBondContact O-N 2.74Å; K95-G100 WeakPolarHBondContact CE-O 3.29Å; K95-G100 WeakPolarHBondContact CG-O 3.48Å; K95-N101 WeakPolarHBondContact CA-O 3.47Å
96R85.4Confident87Confident15 Ų1563.8 Ų63.86%0.05734%0.342CS..EExtended strand (participates in β ladder)trans-68.8127.9172.9-68.3-176.679165.99.7108.9M22 T77 L79 D98 G100 N101 Y120M22-R96 PolarHBondContact O-NH1 2.78Å; M22-R96 PolarHBondContact O-NH2 3.49Å; T77-R96 HydrophobicContact CG2-CG 4.21Å; T77-R96 VanDerWaalsContact CG2-NE 3.33Å; T77-R96 PolarHBondContact OG1-NH2 2.75Å; L79-R96 HydrophobicContact CD2-CB 4.26Å; L79-R96 HydrophobicContact CD2-CG 3.44Å; L79-R96 VanDerWaalsContact CD2-CG 3.44Å; R96-D98 VanDerWaalsContact C-N 3.26Å; R96-D98 PolarHBondContact O-N 3.48Å; R96-G100 WeakPolarHBondContact O-CA 3.02Å; R96-G100 PolarHBondContact O-N 3.42Å; R96-N101 PolarHBondContact N-O 2.76Å; R96-Y120 WeakPolarHBondContact CD-OH 3.46Å; R96-Y120 HydrophobicContact CG-CE2 4.27Å; R96-Y120 PolarHBondContact NH1-OH 3.24Å
97T81.6Confident87.2Confident84 Ų8457.9 Ų57.952%0.51532%0.315SS..THydrogen-bonded Turntrans-72.4-26176.2-290000111.6E78 K95E78-T97 WeakPolarHBondContact CB-OG1 3.47Å; E78-T97 PolarHBondContact O-N 2.97Å; E78-T97 PolarHBondContact O-OG1 3.31Å; K95-T97 PolarHBondContact O-N 2.74Å
98D80Confident87.6Confident118 Ų11856.6 Ų56.663%0.63129%0.291SS*.THydrogen-bonded Turntrans-70.6-56.6-178.1-173.5-111.6000113.1R96R96-D98 VanDerWaalsContact C-N 3.26Å; R96-D98 PolarHBondContact O-N 3.48Å
99N80.9Confident87.9Confident100 Ų10053 Ų5354%0.53527%0.271SS..THydrogen-bonded Turntrans-109.2-3.8-176.5-67.5-55.7000114N101N99-N101 PolarHBondContact O-N 2.76Å
100G81.6Confident87.8Confident33 Ų3353.3 Ų53.334%0.3428%0.276SS..  trans73.31.4-175.300000115.1K95 R96K95-G100 WeakPolarHBondContact CE-O 3.29Å; K95-G100 WeakPolarHBondContact CG-O 3.48Å; R96-G100 WeakPolarHBondContact O-CA 3.02Å; R96-G100 PolarHBondContact O-N 3.42Å
101N86.6Confident87.7Confident48 Ų4856.5 Ų56.526%0.25731%0.31SS..  trans-69.6138-178-73.2-9.6000112.4K95 R96 N99 Y120 E121K95-N101 WeakPolarHBondContact CA-O 3.47Å; R96-N101 PolarHBondContact N-O 2.76Å; N99-N101 PolarHBondContact O-N 2.76Å; N101-Y120 HydrophobicContact CB-CE2 3.52Å; N101-Y120 PolarHBondContact ND2-OH 3.15Å; N101-E121 PolarHBondContact ND2-OE1 3.24Å; N101-E121 PolarHBondContact ND2-OE2 3.31Å
102E88.3Confident87.4Confident140 Ų14060.7 Ų60.765%0.65433%0.332SS*.EExtended strand (participates in β ladder)trans-82.5132.6177.5-63.2176.599.700110.8F94 Y120F94-E102 CarbonylContact O-C 3.29Å; F94-E102 WeakPolarHBondContact O-CA 3.27Å; E102-Y120 WeakPolarHBondContact O-CD2 3.38Å
103L88.6Confident87.4Confident8 Ų864 Ų644%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-120107.9176.2-175.3172.9000107.4F18 M22 L79 F94 Y120F18-L103 HydrophobicContact CZ-CD1 4.32Å; M22-L103 HydrophobicContact CE-CD1 3.08Å; M22-L103 HydrophobicContact CE-CG 4.21Å; L79-L103 HydrophobicContact CD1-CD1 4.06Å; L79-L103 HydrophobicContact CD2-CD1 4.17Å; F94-L103 WeakPolarHBondContact CA-O 3.28Å; F94-L103 HydrophobicContact CB-CB 4.16Å; F94-L103 HydrophobicContact CB-CD2 4.41Å; F94-L103 WeakPolarHBondContact CB-O 3.43Å; F94-L103 HydrophobicContact CD2-CD2 4.34Å; F94-L103 PolarHBondContact N-O 3.2Å; F94-L103 CarbonylContact O-C 3.57Å; F94-L103 PolarHBondContact O-N 3.09Å; F94-L103 VanDerWaalsContact O-O 3.11Å; L103-Y120 HydrophobicContact CB-CD2 3.99Å; L103-Y120 HydrophobicContact CG-CD2 4.36Å
104N90.7Very high87.4Confident62 Ų6258 Ų5833%0.33232%0.322SS..EExtended strand (participates in β ladder)trans-95.2134.9175.3-63.9-37.3000108.8G92 Y118 V119G92-N104 CarbonylContact O-C 3.58Å; G92-N104 WeakPolarHBondContact O-CA 3.33Å; N104-Y118 CarbonylContact O-C 3.54Å; N104-Y118 WeakPolarHBondContact O-CA 3.23Å; N104-V119 HydrophobicContact CB-CB 4.33Å; N104-V119 PolarHBondContact N-O 3.47Å; N104-V119 PolarHBondContact O-N 2.8Å
105T90.7Very high87.5Confident3 Ų358.1 Ų58.12%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-129.1137.6174.5174.70000108.6W83 G92 F94 Q116 T117W83-T105 HydrophobicContact CH2-CG2 3.32Å; W83-T105 HydrophobicContact CZ2-CG2 3.82Å; W83-T105 HydrophobicContact CZ3-CG2 3.79Å; G92-T105 WeakPolarHBondContact CA-O 3.01Å; G92-T105 PolarHBondContact N-O 3.34Å; G92-T105 WeakPolarHBondContact O-CG2 2.67Å; G92-T105 PolarHBondContact O-N 3.41Å; F94-T105 HydrophobicContact CD2-CG2 3.63Å; F94-T105 HydrophobicContact CE2-CG2 3.4Å; T105-Q116 PolarHBondContact OG1-NE2 3.37Å; T105-Q116 VanDerWaalsContact OG1-NE2 3.1Å; T105-T117 CarbonylContact C-O 3.47Å; T105-T117 WeakPolarHBondContact CA-O 3.37Å; T105-T117 PolarHBondContact OG1-O 3.33Å
106V92Very high87.6Confident33 Ų3352.7 Ų52.720%0.230%0.301CS..EExtended strand (participates in β ladder)trans-127.9123.9179176.20000107.7L90 I91 Q116 T117L90-V106 CarbonylContact O-C 3.53Å; L90-V106 WeakPolarHBondContact O-CA 3.48Å; I91-V106 HydrophobicContact CD1-CB 4.24Å; I91-V106 HydrophobicContact CD1-CG1 3.74Å; I91-V106 HydrophobicContact CD1-CG2 3.69Å; V106-Q116 CarbonylContact O-C 3.55Å; V106-Q116 VanDerWaalsContact O-CA 3.28Å; V106-Q116 WeakPolarHBondContact O-CA 3.48Å; V106-T117 PolarHBondContact N-O 3.25Å; V106-T117 PolarHBondContact O-N 3.44Å
107R90.8Very high88Confident8 Ų852.9 Ų52.93%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-111122.4172.5-68.2171.3167.1158.2-0.9108.7F3 W83 K89 L90 L114 V115 Q116F3-R107 HydrophobicContact CE1-CB 4.43Å; W83-R107 HydrophobicContact CH2-CG 4.12Å; W83-R107 HydrophobicContact CZ3-CG 4.37Å; K89-R107 CarbonylContact C-O 3.58Å; K89-R107 WeakPolarHBondContact CA-O 3.46Å; L90-R107 HydrophobicContact CB-CB 4.03Å; L90-R107 PolarHBondContact N-O 2.85Å; L90-R107 PolarHBondContact O-N 3.01Å; R107-L114 HydrophobicContact CB-CD1 4.1Å; R107-V115 WeakPolarHBondContact CA-O 3.38Å; R107-Q116 HydrophobicContact CG-CB 4.04Å; R107-Q116 HydrophobicContact CG-CG 3.65Å
108E90.9Very high88.4Confident39 Ų3950.1 Ų50.118%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-133144.6175.660.7-176.993.200110.3K89 I110 V115K89-E108 HydrophobicContact CB-CB 4.43Å; K89-E108 HydrophobicContact CD-CB 4.2Å; K89-E108 WeakPolarHBondContact CE-OE2 2.98Å; K89-E108 HydrophobicContact CG-CB 3.89Å; K89-E108 IonicContact NZ-OE1 2.78Å; K89-E108 PolarHBondContact NZ-OE1 2.92Å; K89-E108 IonicContact NZ-OE2 2.81Å; K89-E108 PolarHBondContact NZ-OE2 3.45Å; E108-I110 HydrophobicContact CG-CD1 4.09Å; E108-I110 HydrophobicContact CG-CG1 3.98Å; E108-V115 HydrophobicContact CG-CB 4.35Å; E108-V115 PolarHBondContact N-O 2.93Å; E108-V115 PolarHBondContact O-N 3.24Å
109I88.8Confident88.9Confident45 Ų4546.5 Ų46.523%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-89.6117.7172.7-56.6-60000107.6F3 W7 G111 L114F3-I109 HydrophobicContact CD1-CD1 3.62Å; F3-I109 HydrophobicContact CD1-CG1 3.68Å; F3-I109 HydrophobicContact CE1-CD1 3.83Å; F3-I109 HydrophobicContact CE1-CG1 3.58Å; F3-I109 HydrophobicContact CG-CD1 4.49Å; F3-I109 HydrophobicContact CG-CG1 4.34Å; F3-I109 HydrophobicContact CZ-CG1 4.15Å; W7-I109 HydrophobicContact CH2-CD1 3.61Å; W7-I109 HydrophobicContact CZ2-CD1 3.63Å; W7-I109 HydrophobicContact CZ3-CD1 4.31Å; I109-G111 WeakPolarHBondContact CG2-O 3.4Å; I109-L114 HydrophobicContact CD1-CB 3.81Å; I109-L114 HydrophobicContact CD1-CD1 3.5Å; I109-L114 VanDerWaalsContact CD1-CD1 3.5Å; I109-L114 HydrophobicContact CD1-CG 4.27Å
110I87.6Confident89.2Confident92 Ų9241.9 Ų41.947%0.47224%0.241SC..EExtended strand (participates in β ladder)trans-113.5100.3175-52.1-175.1000107E108 D112 E113 V115E108-I110 HydrophobicContact CG-CD1 4.09Å; E108-I110 HydrophobicContact CG-CG1 3.98Å; I110-D112 PolarHBondContact O-N 2.91Å; I110-E113 PolarHBondContact N-O 3.44Å; I110-E113 PolarHBondContact O-N 3.28Å; I110-E113 VanDerWaalsContact O-N 3.16Å; I110-V115 HydrophobicContact CB-CG2 4.35Å; I110-V115 HydrophobicContact CD1-CB 4.15Å; I110-V115 HydrophobicContact CD1-CG2 3.84Å; I110-V115 HydrophobicContact CG1-CB 4.46Å; I110-V115 HydrophobicContact CG1-CG2 4.1Å
111G85.9Confident89.4Confident72 Ų7245.2 Ų45.274%0.74225%0.247SC*.THydrogen-bonded Turntrans67-116.5-173.900000111.5I109I109-G111 WeakPolarHBondContact CG2-O 3.4Å
112D85.8Confident89.3Confident115 Ų11546.4 Ų46.462%0.61527%0.271SS*.THydrogen-bonded Turntrans-104.910.7177.9-148.9-108.8000112.5I110I110-D112 PolarHBondContact O-N 2.91Å
113E90.4Very high89.3Confident69 Ų6940.9 Ų40.932%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-115.2134.3-178.2-59.8-174.7105.900110.6I110 I128 F129 K130I110-E113 PolarHBondContact N-O 3.44Å; I110-E113 PolarHBondContact O-N 3.28Å; I110-E113 VanDerWaalsContact O-N 3.16Å; E113-I128 HydrophobicContact CB-CG2 4.1Å; E113-I128 HydrophobicContact CG-CG2 4.46Å; E113-F129 CarbonylContact C-O 3.54Å; E113-F129 WeakPolarHBondContact CA-O 3.48Å; E113-K130 HydrophobicContact CG-CG 4.1Å; E113-K130 WeakPolarHBondContact OE1-CE 3.39Å
114L90.5Very high89.4Confident0 Ų046 Ų460%027%0.271CS..EExtended strand (participates in β ladder)trans-88.9114.8170.6168.475.7000107.8F3 W7 L39 I41 R107 I109 F129F3-L114 HydrophobicContact CD1-CD1 3.89Å; F3-L114 HydrophobicContact CE1-CD1 3.97Å; W7-L114 HydrophobicContact CB-CD2 3.89Å; W7-L114 HydrophobicContact CD2-CB 3.67Å; W7-L114 HydrophobicContact CD2-CD2 3.94Å; W7-L114 HydrophobicContact CD2-CG 4.41Å; W7-L114 HydrophobicContact CE3-CB 3.41Å; W7-L114 VanDerWaalsContact CE3-CB 3.41Å; W7-L114 HydrophobicContact CE3-CD2 4.5Å; W7-L114 HydrophobicContact CG-CB 4.24Å; W7-L114 HydrophobicContact CG-CD2 3.65Å; W7-L114 HydrophobicContact CH2-CB 4.31Å; W7-L114 HydrophobicContact CZ3-CB 3.76Å; L39-L114 HydrophobicContact CD1-CD2 4.36Å; I41-L114 HydrophobicContact CD1-CD2 4.02Å; R107-L114 HydrophobicContact CB-CD1 4.1Å; I109-L114 HydrophobicContact CD1-CB 3.81Å; I109-L114 HydrophobicContact CD1-CD1 3.5Å; I109-L114 VanDerWaalsContact CD1-CD1 3.5Å; I109-L114 HydrophobicContact CD1-CG 4.27Å; L114-F129 HydrophobicContact CB-CB 4.1Å; L114-F129 HydrophobicContact CD2-CB 4.29Å; L114-F129 HydrophobicContact CD2-CD2 4.19Å; L114-F129 HydrophobicContact CD2-CG 4.31Å; L114-F129 HydrophobicContact CG-CB 4.48Å; L114-F129 HydrophobicContact CG-CD2 4.29Å; L114-F129 PolarHBondContact N-O 2.79Å; L114-F129 WeakPolarHBondContact O-CD2 3.14Å; L114-F129 PolarHBondContact O-N 3.03Å
115V91.9Very high89.5Confident20 Ų2043.1 Ų43.112%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-101.7116.4176.3-177.70000108.8R107 E108 I110 I128R107-V115 WeakPolarHBondContact CA-O 3.38Å; E108-V115 HydrophobicContact CG-CB 4.35Å; E108-V115 PolarHBondContact N-O 2.93Å; E108-V115 PolarHBondContact O-N 3.24Å; I110-V115 HydrophobicContact CB-CG2 4.35Å; I110-V115 HydrophobicContact CD1-CB 4.15Å; I110-V115 HydrophobicContact CD1-CG2 3.84Å; I110-V115 HydrophobicContact CG1-CB 4.46Å; I110-V115 HydrophobicContact CG1-CG2 4.1Å; V115-I128 HydrophobicContact CG2-CG1 4.43Å
116Q91.3Very high89.5Confident3 Ų347.3 Ų47.31%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-106.2114.8173.9-171.9164.1-12.400110.3T105 V106 R107 Y118 K126 R127 F129T105-Q116 PolarHBondContact OG1-NE2 3.37Å; T105-Q116 VanDerWaalsContact OG1-NE2 3.1Å; V106-Q116 CarbonylContact O-C 3.55Å; V106-Q116 VanDerWaalsContact O-CA 3.28Å; V106-Q116 WeakPolarHBondContact O-CA 3.48Å; R107-Q116 HydrophobicContact CG-CB 4.04Å; R107-Q116 HydrophobicContact CG-CG 3.65Å; Q116-Y118 HydrophobicContact CB-CE2 4.33Å; Q116-Y118 HydrophobicContact CG-CD2 4.34Å; Q116-Y118 HydrophobicContact CG-CE1 4.23Å; Q116-Y118 HydrophobicContact CG-CE2 3.71Å; Q116-Y118 PolarHBondContact NE2-OH 3.13Å; Q116-Y118 PolarHBondContact OE1-OH 3.12Å; Q116-K126 CarbonylContact O-C 3.6Å; Q116-K126 WeakPolarHBondContact O-CA 3.28Å; Q116-R127 HydrophobicContact CB-CB 4.5Å; Q116-R127 PolarHBondContact N-O 2.96Å; Q116-R127 PolarHBondContact O-N 3.43Å; Q116-F129 HydrophobicContact CB-CD2 4.42Å; Q116-F129 HydrophobicContact CB-CE2 3.77Å
117T92.5Very high89.5Confident19 Ų1946.1 Ų46.112%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-98.4135.4174.1-53.70000109.3T105 V106 V119 A125 K126T105-T117 CarbonylContact C-O 3.47Å; T105-T117 WeakPolarHBondContact CA-O 3.37Å; T105-T117 PolarHBondContact OG1-O 3.33Å; V106-T117 PolarHBondContact N-O 3.25Å; V106-T117 PolarHBondContact O-N 3.44Å; T117-V119 HydrophobicContact CG2-CG2 4.19Å; T117-A125 CarbonylContact C-O 3.48Å; T117-A125 VanDerWaalsContact CA-O 3.31Å; T117-A125 WeakPolarHBondContact CA-O 3.16Å; T117-K126 HydrophobicContact CG2-CG 4.04Å
118Y90.8Very high89.5Confident25 Ų2546.9 Ų46.910%0.09827%0.27CS..EExtended strand (participates in β ladder)trans-117.5135.3172.9-57.9-90.5000108.4Y15 F18 N104 Q116 E124 A125 R127Y15-Y118 HydrophobicContact CE2-CE2 4.3Å; F18-Y118 HydrophobicContact CZ-CD1 4.28Å; F18-Y118 HydrophobicContact CZ-CG 4.27Å; N104-Y118 CarbonylContact O-C 3.54Å; N104-Y118 WeakPolarHBondContact O-CA 3.23Å; Q116-Y118 HydrophobicContact CB-CE2 4.33Å; Q116-Y118 HydrophobicContact CG-CD2 4.34Å; Q116-Y118 HydrophobicContact CG-CE1 4.23Å; Q116-Y118 HydrophobicContact CG-CE2 3.71Å; Q116-Y118 PolarHBondContact NE2-OH 3.13Å; Q116-Y118 PolarHBondContact OE1-OH 3.12Å; Y118-E124 CarbonylContact O-C 3.6Å; Y118-E124 VanDerWaalsContact O-CA 3.3Å; Y118-E124 WeakPolarHBondContact O-CA 3.17Å; Y118-A125 PolarHBondContact N-O 2.9Å; Y118-A125 PolarHBondContact O-N 3.05Å; Y118-R127 HydrophobicContact CE2-CB 4.36Å; Y118-R127 HydrophobicContact CE2-CG 3.89Å
119V90.6Very high89.5Confident42 Ų4245 Ų4526%0.25526%0.261SS..EExtended strand (participates in β ladder)trans-129.7121.3177.9-172.90000108N104 T117 V123 E124N104-V119 HydrophobicContact CB-CB 4.33Å; N104-V119 PolarHBondContact N-O 3.47Å; N104-V119 PolarHBondContact O-N 2.8Å; T117-V119 HydrophobicContact CG2-CG2 4.19Å; V119-V123 WeakPolarHBondContact CA-O 3.26Å; V119-E124 HydrophobicContact CG1-CG 4.06Å; V119-E124 HydrophobicContact CG2-CG 3.99Å
120Y87.6Confident89.7Confident4 Ų446.9 Ų46.92%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-146.7124.3-179.3179-96.6000110.1F18 K21 M22 R96 N101 E102 L103 G122 V123F18-Y120 VanDerWaalsContact CE2-CB 3.48Å; F18-Y120 HydrophobicContact CE2-CG 4.32Å; K21-Y120 HydrophobicContact CB-CD1 4.11Å; K21-Y120 HydrophobicContact CB-CE1 4.36Å; M22-Y120 HydrophobicContact CG-CD1 4.26Å; M22-Y120 HydrophobicContact CG-CE1 4.36Å; R96-Y120 WeakPolarHBondContact CD-OH 3.46Å; R96-Y120 HydrophobicContact CG-CE2 4.27Å; R96-Y120 PolarHBondContact NH1-OH 3.24Å; N101-Y120 HydrophobicContact CB-CE2 3.52Å; N101-Y120 PolarHBondContact ND2-OH 3.15Å; E102-Y120 WeakPolarHBondContact O-CD2 3.38Å; L103-Y120 HydrophobicContact CB-CD2 3.99Å; L103-Y120 HydrophobicContact CG-CD2 4.36Å; Y120-G122 PolarHBondContact O-N 2.96Å; Y120-G122 VanDerWaalsContact O-N 3.16Å; Y120-V123 PolarHBondContact N-O 3.01Å; Y120-V123 WeakPolarHBondContact O-CB 3.47Å; Y120-V123 PolarHBondContact O-N 2.86Å
121E85.3Confident89.6Confident102 Ų10247.9 Ų47.948%0.47727%0.268SS..THydrogen-bonded Turntrans47.841.8-179-64.8-168.679.400114.1N101 V123N101-E121 PolarHBondContact ND2-OE1 3.24Å; N101-E121 PolarHBondContact ND2-OE2 3.31Å; E121-V123 PolarHBondContact O-N 3.24Å
122G83.8Confident89.3Confident73 Ų7350.5 Ų50.575%0.75327%0.265SS*.THydrogen-bonded Turntrans76.51.8-178.900000115.2Y120Y120-G122 PolarHBondContact O-N 2.96Å; Y120-G122 VanDerWaalsContact O-N 3.16Å
123V89.6Confident89.5Confident25 Ų2547.3 Ų47.315%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-96.4123171.1176.60000110K17 F18 K21 V119 Y120 E121K17-V123 HydrophobicContact CB-CG1 4.12Å; F18-V123 HydrophobicContact CB-CG1 4.21Å; K21-V123 HydrophobicContact CG-CB 4.28Å; K21-V123 HydrophobicContact CG-CG2 3.65Å; V119-V123 WeakPolarHBondContact CA-O 3.26Å; Y120-V123 PolarHBondContact N-O 3.01Å; Y120-V123 WeakPolarHBondContact O-CB 3.47Å; Y120-V123 PolarHBondContact O-N 2.86Å; E121-V123 PolarHBondContact O-N 3.24Å
124E90.9Very high89.5Confident116 Ų11646.1 Ų46.154%0.54224%0.244SC..EExtended strand (participates in β ladder)trans-103.1131.1176.9-58.4179.98300110.2N14 Y118 V119N14-E124 WeakPolarHBondContact CB-O 3.29Å; N14-E124 PolarHBondContact ND2-O 3.07Å; Y118-E124 CarbonylContact O-C 3.6Å; Y118-E124 VanDerWaalsContact O-CA 3.3Å; Y118-E124 WeakPolarHBondContact O-CA 3.17Å; V119-E124 HydrophobicContact CG1-CG 4.06Å; V119-E124 HydrophobicContact CG2-CG 3.99Å
125A91.2Very high89.4Confident1 Ų148.7 Ų48.71%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-128.4149.5173.500000110.4E13 Y15 F18 T117 Y118E13-A125 CarbonylContact O-C 3.48Å; E13-A125 WeakPolarHBondContact O-CA 3.48Å; Y15-A125 HydrophobicContact CD2-CB 4.39Å; F18-A125 HydrophobicContact CB-CB 3.54Å; F18-A125 HydrophobicContact CG-CB 4.07Å; T117-A125 CarbonylContact C-O 3.48Å; T117-A125 VanDerWaalsContact CA-O 3.31Å; T117-A125 WeakPolarHBondContact CA-O 3.16Å; Y118-A125 PolarHBondContact N-O 2.9Å; Y118-A125 PolarHBondContact O-N 3.05Å
126K91.4Very high89.3Confident90 Ų9050.4 Ų50.439%0.39127%0.265SS..EExtended strand (participates in β ladder)trans-126.6143178.6-61.7-177.8-179.2179.20110.5S12 E13 Q116 T117S12-K126 CarbonylContact C-O 3.58Å; S12-K126 VanDerWaalsContact CA-O 3.26Å; S12-K126 WeakPolarHBondContact CA-O 3.36Å; E13-K126 HydrophobicContact CB-CB 4.33Å; E13-K126 PolarHBondContact N-O 2.94Å; E13-K126 PolarHBondContact O-N 2.89Å; Q116-K126 CarbonylContact O-C 3.6Å; Q116-K126 WeakPolarHBondContact O-CA 3.28Å; T117-K126 HydrophobicContact CG2-CG 4.04Å
127R91Very high89.1Confident8 Ų853.3 Ų53.33%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-126.3120.3171.1-65.9-172.977.9168.73.9107.7Y15 L37 Q116 Y118 F129Y15-R127 HydrophobicContact CD2-CG 4.05Å; Y15-R127 HydrophobicContact CE2-CG 4.33Å; Y15-R127 HydrophobicContact CG-CG 4.48Å; Y15-R127 PolarHBondContact OH-NH1 3.5Å; Y15-R127 VanDerWaalsContact OH-NH1 3.16Å; L37-R127 VanDerWaalsContact CD2-NH1 3.28Å; Q116-R127 HydrophobicContact CB-CB 4.5Å; Q116-R127 PolarHBondContact N-O 2.96Å; Q116-R127 PolarHBondContact O-N 3.43Å; Y118-R127 HydrophobicContact CE2-CB 4.36Å; Y118-R127 HydrophobicContact CE2-CG 3.89Å; R127-F129 HydrophobicContact CB-CD2 4.25Å; R127-F129 HydrophobicContact CB-CE2 3.42Å; R127-F129 VanDerWaalsContact CB-CE2 3.42Å; R127-F129 HydrophobicContact CB-CZ 3.8Å; R127-F129 WeakPolarHBondContact O-CD2 3.42Å
128I92.3Very high88.9Confident24 Ų2455.6 Ų55.612%0.12329%0.292CS..EExtended strand (participates in β ladder)trans-97.8122.1176.8-54.693.5000107.2H10 R11 E13 E113 V115H10-I128 PolarHBondContact N-O 3.3Å; R11-I128 HydrophobicContact CB-CD1 4.34Å; R11-I128 PolarHBondContact N-O 2.83Å; R11-I128 VanDerWaalsContact N-O 3.14Å; R11-I128 PolarHBondContact O-N 2.84Å; E13-I128 HydrophobicContact CG-CD1 4.24Å; E113-I128 HydrophobicContact CB-CG2 4.1Å; E113-I128 HydrophobicContact CG-CG2 4.46Å; V115-I128 HydrophobicContact CG2-CG1 4.43Å
129F91.4Very high88.8Confident0 Ų057.8 Ų57.80%031%0.306CS..EExtended strand (participates in β ladder)trans-112.7141.8176.6-54.7-104.9000109.2W7 K8 V9 L37 L39 E113 L114 Q116 R127W7-F129 HydrophobicContact CB-CB 3.86Å; W7-F129 HydrophobicContact CB-CG 4.47Å; K8-F129 CarbonylContact O-C 3.56Å; K8-F129 VanDerWaalsContact O-CA 3.24Å; K8-F129 WeakPolarHBondContact O-CA 3.44Å; V9-F129 VanDerWaalsContact CA-CD1 3.47Å; V9-F129 HydrophobicContact CB-CD1 3.79Å; V9-F129 HydrophobicContact CB-CE1 3.73Å; V9-F129 HydrophobicContact CG2-CD1 4.39Å; V9-F129 HydrophobicContact CG2-CE1 4.18Å; L37-F129 HydrophobicContact CD2-CE1 3.78Å; L37-F129 HydrophobicContact CD2-CZ 3.95Å; L37-F129 HydrophobicContact CG-CE1 4.07Å; L39-F129 HydrophobicContact CD1-CD1 3.95Å; L39-F129 HydrophobicContact CD1-CE1 3.48Å; L39-F129 VanDerWaalsContact CD1-CE1 3.48Å; L39-F129 HydrophobicContact CD1-CE2 4.09Å; L39-F129 HydrophobicContact CD1-CG 4.47Å; L39-F129 HydrophobicContact CD1-CZ 3.57Å; L39-F129 HydrophobicContact CG-CD1 4.36Å; L39-F129 HydrophobicContact CG-CE1 3.93Å; L39-F129 HydrophobicContact CG-CZ 4.44Å; E113-F129 CarbonylContact C-O 3.54Å; E113-F129 WeakPolarHBondContact CA-O 3.48Å; L114-F129 HydrophobicContact CB-CB 4.1Å; L114-F129 HydrophobicContact CD2-CB 4.29Å; L114-F129 HydrophobicContact CD2-CD2 4.19Å; L114-F129 HydrophobicContact CD2-CG 4.31Å; L114-F129 HydrophobicContact CG-CB 4.48Å; L114-F129 HydrophobicContact CG-CD2 4.29Å; L114-F129 PolarHBondContact N-O 2.79Å; L114-F129 WeakPolarHBondContact O-CD2 3.14Å; L114-F129 PolarHBondContact O-N 3.03Å; Q116-F129 HydrophobicContact CB-CD2 4.42Å; Q116-F129 HydrophobicContact CB-CE2 3.77Å; R127-F129 HydrophobicContact CB-CD2 4.25Å; R127-F129 HydrophobicContact CB-CE2 3.42Å; R127-F129 VanDerWaalsContact CB-CE2 3.42Å; R127-F129 HydrophobicContact CB-CZ 3.8Å; R127-F129 WeakPolarHBondContact O-CD2 3.42Å
130K91.1Very high88.6Confident84 Ų8459 Ų5937%0.36531%0.31SS..EExtended strand (participates in β ladder)trans-105.8149.1171.2-76.6-174.6176.3174.70109.6W7 K8 H10 E113 D132W7-K130 CarbonylContact C-O 3.53Å; W7-K130 WeakPolarHBondContact CA-O 3.43Å; K8-K130 PolarHBondContact N-O 3.09Å; K8-K130 PolarHBondContact O-N 2.95Å; H10-K130 HydrophobicContact CB-CB 4.44Å; H10-K130 HydrophobicContact CB-CD 4.19Å; H10-K130 HydrophobicContact CB-CG 3.99Å; H10-K130 PolarHBondContact CE1-NZ 2.63Å; H10-K130 PolarHBondContact NE2-NZ 3.49Å; E113-K130 HydrophobicContact CG-CG 4.1Å; E113-K130 WeakPolarHBondContact OE1-CE 3.39Å; K130-D132 PolarHBondContact O-N 3.34Å
131K87.3Confident88.7Confident114 Ų11463.6 Ų63.650%0.49633%0.334SS..EExtended strand (participates in β ladder)trans-61.2129171.7-160.6171-179177.80109.1T6 W7T6-K131 WeakPolarHBondContact O-CA 3.5Å; W7-K131 HydrophobicContact CE3-CB 4.21Å; W7-K131 HydrophobicContact CZ3-CB 4.04Å
132D79.3Confident89Confident126 Ų12660.1 Ų60.167%0.67432%0.321SS*.  trans-90.80176.2-168.8-113000110.6T6 K8 K38 K130T6-D132 HydrophobicContact CG2-CB 4.46Å; T6-D132 PolarHBondContact O-N 3.12Å; K8-D132 HydrophobicContact CB-CB 4.15Å; K38-D132 WeakPolarHBondContact CE-OD1 3.09Å; K38-D132 IonicContact NZ-OD1 3.7Å; K38-D132 PolarHBondContact NZ-OD1 2.96Å; K130-D132 PolarHBondContact O-N 3.34Å

Retrieved 132 of 132 residues in 39.3 ms (Link to these results)

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