A0A087WRH2_MOUSE Loading...

Fas apoptotic inhibitory molecule 1

Plays a role as an inducible effector molecule that mediates Fas resistance produced by surface Ig engagement in B cells.

AlphaFold DB , UniProt , Accession A0A087WRH2, Species MOUSE (Mus musculus, Mouse), Gene Faim, Length 174 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
1M56.4Low86.2Confident136 Ų13663.4 Ų63.467%0.6736%0.359SS*.  090.10-131.5179.7-79.400107.2L4 E22M1-L4 HydrophobicContact CG-CB 4.34Å; M1-L4 HydrophobicContact SD-CB 4.25Å; M1-L4 HydrophobicContact SD-CD1 4.01Å; M1-L4 HydrophobicContact SD-CD2 4.16Å; M1-L4 HydrophobicContact SD-CG 4.37Å; M1-E22 HydrophobicContact CG-CG 4.09Å; M1-E22 WeakPolarHBondContact CG-OE1 3.42Å
2T70.9Confident86.4Confident130 Ų13058.2 Ų58.280%0.79833%0.329SS*.  trans-89.8-17.8-172.744.40000113.7
3D87.3Confident86.4Confident54 Ų5453.9 Ų53.929%0.28931%0.305SS..SBendtrans-117.322.1-175.1-53.6-53000112.8V5 E22 H23 K29D3-V5 PolarHBondContact O-N 3.01Å; D3-E22 HydrophobicContact CB-CB 4.37Å; D3-E22 CarbonylContact O-C 3.59Å; D3-E22 WeakPolarHBondContact O-CA 3.41Å; D3-H23 PolarHBondContact O-N 2.94Å; D3-K29 WeakPolarHBondContact OD2-CE 3.21Å; D3-K29 IonicContact OD2-NZ 2.73Å; D3-K29 PolarHBondContact OD2-NZ 2.8Å
4L93.4Very high86.6Confident69 Ų6951.6 Ų51.636%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-68.4118.8177-17969.5000109.4M1 V7 E20M1-L4 HydrophobicContact CG-CB 4.34Å; M1-L4 HydrophobicContact SD-CB 4.25Å; M1-L4 HydrophobicContact SD-CD1 4.01Å; M1-L4 HydrophobicContact SD-CD2 4.16Å; M1-L4 HydrophobicContact SD-CG 4.37Å; L4-V7 HydrophobicContact CD1-CG2 4.19Å; L4-V7 HydrophobicContact CD2-CG2 3.97Å; L4-V7 HydrophobicContact CG-CG2 4.32Å; L4-E20 HydrophobicContact CD1-CB 3.88Å
5V93.7Very high86.7Confident58 Ų5849.5 Ų49.535%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-115.5-19.2-173.7-69.20000113.5D3 F21 H23 Y77D3-V5 PolarHBondContact O-N 3.01Å; V5-F21 HydrophobicContact CG2-CD1 3.71Å; V5-F21 HydrophobicContact CG2-CE1 4.33Å; V5-F21 HydrophobicContact CG2-CG 4.49Å; V5-F21 VanDerWaalsContact CG2-O 3.24Å; V5-F21 WeakPolarHBondContact CG2-O 3.31Å; V5-F21 PolarHBondContact N-O 2.97Å; V5-H23 HydrophobicContact CG1-CB 4.34Å; V5-H23 HydrophobicContact CG2-CB 3.78Å; V5-Y77 HydrophobicContact CB-CD2 4.11Å; V5-Y77 HydrophobicContact CB-CE2 3.6Å; V5-Y77 HydrophobicContact CG1-CE2 4.19Å; V5-Y77 HydrophobicContact CG2-CD1 4.25Å; V5-Y77 HydrophobicContact CG2-CD2 4.03Å; V5-Y77 HydrophobicContact CG2-CE1 3.91Å; V5-Y77 HydrophobicContact CG2-CE2 3.69Å; V5-Y77 HydrophobicContact CG2-CG 4.31Å
6A92.3Very high87Confident16 Ų1652.8 Ų52.813%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-156148.9179.100000112.5W8 F21A6-W8 HydrophobicContact CB-CE3 4.2Å; A6-W8 HydrophobicContact CB-CH2 3.14Å; A6-W8 HydrophobicContact CB-CZ2 3.51Å; A6-W8 HydrophobicContact CB-CZ3 3.51Å; A6-F21 PolarHBondContact N-O 2.96Å; A6-F21 PolarHBondContact O-N 2.96Å
7V94.4Very high87.5Confident69 Ų6950.6 Ų50.642%0.41829%0.294SS..EExtended strand (participates in β ladder)trans-137.4134.6175.2-176.60000108.2L4 K18 I19 E20L4-V7 HydrophobicContact CD1-CG2 4.19Å; L4-V7 HydrophobicContact CD2-CG2 3.97Å; L4-V7 HydrophobicContact CG-CG2 4.32Å; V7-K18 HydrophobicContact CG1-CD 4.44Å; V7-K18 HydrophobicContact CG1-CG 4.17Å; V7-I19 CarbonylContact C-O 3.59Å; V7-I19 WeakPolarHBondContact CA-O 3.47Å; V7-E20 HydrophobicContact CG1-CG 4.32Å; V7-E20 HydrophobicContact CG2-CG 4.31Å
8W93.9Very high87.9Confident39 Ų3952.4 Ų52.415%0.14830%0.297CS..EExtended strand (participates in β ladder)trans-130.7136.4174.7-59.1-88.4000110.5A6 V10 I19 F21 I65 L79 L86A6-W8 HydrophobicContact CB-CE3 4.2Å; A6-W8 HydrophobicContact CB-CH2 3.14Å; A6-W8 HydrophobicContact CB-CZ2 3.51Å; A6-W8 HydrophobicContact CB-CZ3 3.51Å; W8-V10 HydrophobicContact CB-CG2 4.37Å; W8-I19 HydrophobicContact CE3-CB 4.44Å; W8-I19 HydrophobicContact CE3-CG2 4.13Å; W8-I19 PolarHBondContact N-O 2.95Å; W8-I19 PolarHBondContact O-N 2.92Å; W8-F21 HydrophobicContact CH2-CB 4.36Å; W8-F21 HydrophobicContact CZ3-CB 3.86Å; W8-I65 HydrophobicContact CH2-CD1 4.39Å; W8-I65 HydrophobicContact CH2-CG1 4.25Å; W8-I65 HydrophobicContact CH2-CG2 4.3Å; W8-I65 HydrophobicContact CZ3-CD1 3.91Å; W8-I65 HydrophobicContact CZ3-CG1 4.14Å; W8-L79 HydrophobicContact CB-CD2 3.61Å; W8-L79 HydrophobicContact CD2-CB 3.82Å; W8-L79 HydrophobicContact CD2-CD2 3.96Å; W8-L79 HydrophobicContact CD2-CG 4.48Å; W8-L79 HydrophobicContact CE3-CB 4.4Å; W8-L79 HydrophobicContact CE3-CD2 4.36Å; W8-L79 HydrophobicContact CG-CB 4.03Å; W8-L79 HydrophobicContact CG-CD2 3.64Å; W8-L79 HydrophobicContact CG-CG 4.5Å; W8-L79 HydrophobicContact CZ2-CB 4.11Å; W8-L86 HydrophobicContact CB-CD2 4.42Å
9D90.1Very high88.4Confident90 Ų9049.6 Ų49.648%0.48128%0.281SS..EExtended strand (participates in β ladder)trans-101.9119.4166.6-66.9-63.2000108.7V16 K18D9-V16 HydrophobicContact CB-CG1 4.29Å; D9-K18 IonicContact OD1-NZ 3.73Å; D9-K18 PolarHBondContact OD1-NZ 3.31Å; D9-K18 IonicContact OD2-NZ 2.77Å
10V89.1Confident88.8Confident1 Ų148.9 Ų48.91%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-117.7117.3-174.9-176.20000109.5W8 L12 V16 H17 I19 L79 I81 L86W8-V10 HydrophobicContact CB-CG2 4.37Å; V10-L12 HydrophobicContact CG1-CD2 3.73Å; V10-L12 HydrophobicContact CG1-CG 4.08Å; V10-L12 PolarHBondContact O-N 3Å; V10-V16 WeakPolarHBondContact O-CA 3.45Å; V10-H17 PolarHBondContact N-O 3.35Å; V10-H17 PolarHBondContact O-N 2.69Å; V10-I19 HydrophobicContact CG2-CD1 3.78Å; V10-L79 HydrophobicContact CG2-CD2 3.69Å; V10-I81 HydrophobicContact CG1-CD1 4.15Å; V10-I81 HydrophobicContact CG1-CG1 3.98Å; V10-I81 HydrophobicContact CG2-CD1 4.34Å; V10-I81 HydrophobicContact CG2-CG1 4.5Å; V10-L86 HydrophobicContact CG1-CD1 4.26Å; V10-L86 HydrophobicContact CG2-CD1 3.96Å
11A86.9Confident89.3Confident35 Ų3546.5 Ų46.529%0.28926%0.262SS..EExtended strand (participates in β ladder)trans-86.9104.3175.400000110.5G15 V16 R93A11-G15 CarbonylContact C-O 3.58Å; A11-V16 HydrophobicContact CB-CG2 4.16Å; A11-R93 PolarHBondContact O-NH1 2.89Å; A11-R93 PolarHBondContact O-NH2 3.2Å
12L88.7Confident91.2Very high1 Ų140.6 Ų40.61%0.00523%0.233CC..  trans-93.9-173.8173.1-61.2-175.3000111.3V10 D14 G15 V56 T61 I81 Y89 R93 R110V10-L12 HydrophobicContact CG1-CD2 3.73Å; V10-L12 HydrophobicContact CG1-CG 4.08Å; V10-L12 PolarHBondContact O-N 3Å; L12-D14 WeakPolarHBondContact CB-OD1 3.44Å; L12-G15 PolarHBondContact N-O 3.44Å; L12-V56 HydrophobicContact CD1-CB 4Å; L12-V56 HydrophobicContact CD1-CG1 3.65Å; L12-T61 HydrophobicContact CD2-CG2 4.2Å; L12-I81 HydrophobicContact CD2-CG2 4.23Å; L12-Y89 HydrophobicContact CD2-CE1 4.33Å; L12-Y89 WeakPolarHBondContact CD2-OH 2.93Å; L12-R93 PolarHBondContact O-NH2 3.02Å; L12-R110 PolarHBondContact O-NH2 2.96Å
13S86.2Confident92.3Very high3 Ų334.6 Ų34.62%0.02120%0.196CC..SBendtrans-64.5-47174.944.10000110.7G15 R110 E114S13-G15 VanDerWaalsContact C-N 3.35Å; S13-G15 PolarHBondContact O-N 3.31Å; S13-R110 PolarHBondContact O-NH1 2.85Å; S13-E114 WeakPolarHBondContact CB-OE1 3.38Å; S13-E114 PolarHBondContact OG-OE1 2.88Å
14D88.9Confident92.7Very high21 Ų2132.2 Ų32.211%0.11218%0.184CC..SBendtrans-77.7-11.2-177.466.9-38.3000114.9L12 H17 G57 A58 W121 G124L12-D14 WeakPolarHBondContact CB-OD1 3.44Å; D14-H17 IonicContact OD1-CD2 3.45Å; D14-H17 IonicContact OD1-NE2 3.71Å; D14-H17 PolarHBondContact OD1-NE2 3.02Å; D14-H17 VanDerWaalsContact OD1-NE2 3.07Å; D14-H17 IonicContact OD2-CE1 3.5Å; D14-H17 PolarHBondContact OD2-CE1 3.15Å; D14-H17 IonicContact OD2-NE2 3.64Å; D14-H17 PolarHBondContact OD2-NE2 2.92Å; D14-H17 VanDerWaalsContact OD2-NE2 3.11Å; D14-G57 WeakPolarHBondContact OD2-CA 3.1Å; D14-A58 HydrophobicContact CB-CB 4.37Å; D14-A58 PolarHBondContact OD2-N 3.49Å; D14-W121 HydrophobicContact CB-CD2 4.29Å; D14-W121 HydrophobicContact CB-CE3 3.55Å; D14-W121 HydrophobicContact CB-CH2 3.93Å; D14-W121 HydrophobicContact CB-CZ3 3.33Å; D14-G124 WeakPolarHBondContact O-CA 3.33Å
15G88.8Confident92.5Very high21 Ų2132.4 Ų32.422%0.21619%0.188CC..  trans153.7-164.7173.800000114A11 L12 S13A11-G15 CarbonylContact C-O 3.58Å; L12-G15 PolarHBondContact N-O 3.44Å; S13-G15 VanDerWaalsContact C-N 3.35Å; S13-G15 PolarHBondContact O-N 3.31Å
16V90.8Very high92.3Very high101 Ų10136.5 Ų36.561%0.61221%0.213SC*.EExtended strand (participates in β ladder)trans-96.5124.1168.7-179.90000107.8D9 V10 A11D9-V16 HydrophobicContact CB-CG1 4.29Å; V10-V16 WeakPolarHBondContact O-CA 3.45Å; A11-V16 HydrophobicContact CB-CG2 4.16Å
17H94.9Very high92.3Very high17 Ų1737.6 Ų37.68%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-110.2136.1178.3-65-83.2000110.6V10 D14 D35 V56V10-H17 PolarHBondContact N-O 3.35Å; V10-H17 PolarHBondContact O-N 2.69Å; D14-H17 IonicContact OD1-CD2 3.45Å; D14-H17 IonicContact OD1-NE2 3.71Å; D14-H17 PolarHBondContact OD1-NE2 3.02Å; D14-H17 VanDerWaalsContact OD1-NE2 3.07Å; D14-H17 IonicContact OD2-CE1 3.5Å; D14-H17 PolarHBondContact OD2-CE1 3.15Å; D14-H17 IonicContact OD2-NE2 3.64Å; D14-H17 PolarHBondContact OD2-NE2 2.92Å; D14-H17 VanDerWaalsContact OD2-NE2 3.11Å; H17-D35 VanDerWaalsContact CA-OD1 3.24Å; H17-D35 WeakPolarHBondContact CA-OD1 3.31Å; H17-D35 IonicContact CE1-OD2 2.93Å; H17-D35 IonicContact CG-OD2 2.91Å; H17-D35 IonicContact ND1-OD1 2.8Å; H17-D35 IonicContact ND1-OD2 3.45Å; H17-D35 PolarHBondContact ND1-OD2 2.9Å; H17-V56 HydrophobicContact CB-CG1 3.56Å
18K95.6Very high92.2Very high82 Ų8234.3 Ų34.336%0.35720%0.2SC..EExtended strand (participates in β ladder)trans-97.5124.3175.3-176.1177.3-59.7-57.10109.8V7 D9 E20 V34 D35V7-K18 HydrophobicContact CG1-CD 4.44Å; V7-K18 HydrophobicContact CG1-CG 4.17Å; D9-K18 IonicContact OD1-NZ 3.73Å; D9-K18 PolarHBondContact OD1-NZ 3.31Å; D9-K18 IonicContact OD2-NZ 2.77Å; K18-E20 HydrophobicContact CD-CG 4.4Å; K18-E20 HydrophobicContact CG-CG 4.22Å; K18-V34 CarbonylContact O-C 3.54Å; K18-V34 WeakPolarHBondContact O-CA 3.21Å; K18-D35 PolarHBondContact N-OD1 2.78Å; K18-D35 PolarHBondContact O-N 2.97Å
19I97.5Very high92.3Very high0 Ų033.5 Ų33.50%020%0.198CC..EExtended strand (participates in β ladder)trans-113.4126.8177.6-58.7165.9000108.6V7 W8 V10 V32 Y33 V34 F54 V56 I65 L79V7-I19 CarbonylContact C-O 3.59Å; V7-I19 WeakPolarHBondContact CA-O 3.47Å; W8-I19 HydrophobicContact CE3-CB 4.44Å; W8-I19 HydrophobicContact CE3-CG2 4.13Å; W8-I19 PolarHBondContact N-O 2.95Å; W8-I19 PolarHBondContact O-N 2.92Å; V10-I19 HydrophobicContact CG2-CD1 3.78Å; I19-V32 HydrophobicContact CG2-CG1 4.39Å; I19-Y33 WeakPolarHBondContact CA-O 3.42Å; I19-V34 HydrophobicContact CG1-CG2 4.41Å; I19-F54 HydrophobicContact CD1-CE2 4.21Å; I19-F54 HydrophobicContact CD1-CZ 4.49Å; I19-F54 HydrophobicContact CG1-CE2 4.47Å; I19-F54 HydrophobicContact CG2-CE2 4.06Å; I19-F54 HydrophobicContact CG2-CZ 3.85Å; I19-V56 HydrophobicContact CD1-CG2 3.89Å; I19-V56 HydrophobicContact CG1-CG2 4.44Å; I19-I65 HydrophobicContact CG2-CD1 4.34Å; I19-L79 HydrophobicContact CD1-CD1 4.3Å; I19-L79 HydrophobicContact CD1-CD2 3.69Å
20E97.1Very high92.7Very high34 Ų3429.5 Ų29.516%0.15918%0.176CC..EExtended strand (participates in β ladder)trans-121.9138179.8-59.9173.7106.600109.5L4 V7 K18 V32 Y33L4-E20 HydrophobicContact CD1-CB 3.88Å; V7-E20 HydrophobicContact CG1-CG 4.32Å; V7-E20 HydrophobicContact CG2-CG 4.31Å; K18-E20 HydrophobicContact CD-CG 4.4Å; K18-E20 HydrophobicContact CG-CG 4.22Å; E20-V32 WeakPolarHBondContact O-CA 3.33Å; E20-Y33 HydrophobicContact CB-CD2 4.28Å; E20-Y33 PolarHBondContact N-O 3.5Å; E20-Y33 PolarHBondContact O-N 3.45Å
21F97.5Very high93.1Very high0 Ų029.4 Ų29.40%018%0.175CC..EExtended strand (participates in β ladder)trans-127.4121.8-179.6-172.5-123.4000112.2V5 A6 W8 H23 R30 V31 V32 I65 I67 Y77V5-F21 HydrophobicContact CG2-CD1 3.71Å; V5-F21 HydrophobicContact CG2-CE1 4.33Å; V5-F21 HydrophobicContact CG2-CG 4.49Å; V5-F21 VanDerWaalsContact CG2-O 3.24Å; V5-F21 WeakPolarHBondContact CG2-O 3.31Å; V5-F21 PolarHBondContact N-O 2.97Å; A6-F21 PolarHBondContact N-O 2.96Å; A6-F21 PolarHBondContact O-N 2.96Å; W8-F21 HydrophobicContact CH2-CB 4.36Å; W8-F21 HydrophobicContact CZ3-CB 3.86Å; F21-H23 HydrophobicContact CD1-CB 4.42Å; F21-H23 HydrophobicContact CE1-CB 3.82Å; F21-H23 HydrophobicContact CZ-CB 4.26Å; F21-R30 HydrophobicContact CE2-CB 3.98Å; F21-R30 HydrophobicContact CE2-CG 4.41Å; F21-R30 HydrophobicContact CZ-CB 4.07Å; F21-R30 HydrophobicContact CZ-CG 3.98Å; F21-V31 WeakPolarHBondContact CA-O 3.4Å; F21-V31 VanDerWaalsContact CD2-O 3.26Å; F21-V31 WeakPolarHBondContact CD2-O 3.4Å; F21-V32 HydrophobicContact CD2-CG2 3.68Å; F21-V32 HydrophobicContact CE2-CG2 3.89Å; F21-I65 HydrophobicContact CB-CD1 3.96Å; F21-I65 HydrophobicContact CD1-CG2 4.02Å; F21-I65 HydrophobicContact CD2-CD1 3.89Å; F21-I65 HydrophobicContact CE1-CG2 4.07Å; F21-I65 HydrophobicContact CG-CD1 3.94Å; F21-I65 HydrophobicContact CG-CG2 4.32Å; F21-I65 HydrophobicContact CZ-CG2 4.43Å; F21-I67 HydrophobicContact CE1-CD1 3.77Å; F21-I67 HydrophobicContact CE1-CG1 4.07Å; F21-I67 HydrophobicContact CZ-CD1 3.64Å; F21-I67 HydrophobicContact CZ-CG1 4.32Å; F21-Y77 AromaticContact CD1-CD1 3.81Å; F21-Y77 HydrophobicContact CD1-CD1 3.81Å; F21-Y77 HydrophobicContact CD1-CE1 4.12Å; F21-Y77 HydrophobicContact CD1-CG 4.5Å; F21-Y77 AromaticContact CE1-CD1 3.69Å; F21-Y77 HydrophobicContact CE1-CD1 3.69Å; F21-Y77 AromaticContact CE1-CE1 3.73Å; F21-Y77 HydrophobicContact CE1-CE1 3.73Å
22E96.6Very high93.6Very high11 Ų1127.8 Ų27.85%0.05116%0.162CC..EExtended strand (participates in β ladder)trans-96.8134.9168.7-65.2-177.4-151.300111M1 D3 K29 R30 V31 Y33M1-E22 HydrophobicContact CG-CG 4.09Å; M1-E22 WeakPolarHBondContact CG-OE1 3.42Å; D3-E22 HydrophobicContact CB-CB 4.37Å; D3-E22 CarbonylContact O-C 3.59Å; D3-E22 WeakPolarHBondContact O-CA 3.41Å; E22-K29 IonicContact OE2-NZ 3.72Å; E22-K29 PolarHBondContact OE2-NZ 2.83Å; E22-R30 VanDerWaalsContact O-CA 3.31Å; E22-R30 WeakPolarHBondContact O-CA 3.42Å; E22-V31 HydrophobicContact CB-CB 4.04Å; E22-V31 HydrophobicContact CB-CG2 4.33Å; E22-V31 HydrophobicContact CG-CB 4.47Å; E22-V31 PolarHBondContact N-O 3.16Å; E22-V31 PolarHBondContact O-N 3.05Å; E22-Y33 HydrophobicContact CG-CE2 4.09Å; E22-Y33 VanDerWaalsContact OE1-CE2 3.31Å; E22-Y33 WeakPolarHBondContact OE1-CE2 3.42Å; E22-Y33 PolarHBondContact OE1-OH 2.77Å
23H95.4Very high94.1Very high4 Ų429.3 Ų29.32%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-139.2110.7172.6-172.7-152.1000111.8D3 V5 F21 T25 K29 L48 Y77D3-H23 PolarHBondContact O-N 2.94Å; V5-H23 HydrophobicContact CG1-CB 4.34Å; V5-H23 HydrophobicContact CG2-CB 3.78Å; F21-H23 HydrophobicContact CD1-CB 4.42Å; F21-H23 HydrophobicContact CE1-CB 3.82Å; F21-H23 HydrophobicContact CZ-CB 4.26Å; H23-T25 PolarHBondContact O-N 3.02Å; H23-K29 CarbonylContact C-O 3.48Å; H23-K29 VanDerWaalsContact CA-O 3.28Å; H23-K29 WeakPolarHBondContact CA-O 3.31Å; H23-K29 PolarHBondContact CD2-O 2.83Å; H23-L48 PolarHBondContact CE1-O 2.88Å; H23-L48 VanDerWaalsContact CE1-O 3.23Å; H23-L48 PolarHBondContact NE2-O 2.89Å; H23-Y77 HydrophobicContact CB-CE1 4.03Å; H23-Y77 AromaticContact ND1-CE1 3.48Å; H23-Y77 WeakPolarHBondContact ND1-CE1 3.15Å; H23-Y77 AromaticContact ND1-CZ 3.62Å; H23-Y77 PolarHBondContact ND1-OH 2.96Å
24G94Very high94.6Very high4 Ų429.6 Ų29.64%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-85.5106.6175.100000110.9T26 S27 G28 K29G24-T26 PolarHBondContact O-N 3.2Å; G24-S27 PolarHBondContact O-N 3.49Å; G24-G28 WeakPolarHBondContact O-CA 3.48Å; G24-G28 PolarHBondContact O-N 2.88Å; G24-K29 PolarHBondContact N-O 2.93Å; G24-K29 PolarHBondContact O-N 2.9Å
25T90.3Very high95Very high74 Ų7432.7 Ų32.745%0.45419%0.186SC..THydrogen-bonded Turntrans-70.9-13.7-176.954.80000114.1H23 L48 Y75H23-T25 PolarHBondContact O-N 3.02Å; T25-L48 VanDerWaalsContact O-CD1 3.27Å; T25-L48 WeakPolarHBondContact O-CD1 3.45Å; T25-Y75 HydrophobicContact CG2-CD2 3.84Å; T25-Y75 HydrophobicContact CG2-CE2 3.76Å
26T89.7Confident95.3Very high143 Ų14334.4 Ų34.488%0.87720%0.204SC*.THydrogen-bonded Turntrans-87-40.8174-50.30000112.9G24G24-T26 PolarHBondContact O-N 3.2Å
27S92.4Very high95.6Very high39 Ų3935.9 Ų35.927%0.27320%0.202SC..THydrogen-bonded Turntrans-99.5-14.3-176.556.50000113.8G24 K29 W44 M45G24-S27 PolarHBondContact O-N 3.49Å; S27-K29 PolarHBondContact O-N 2.82Å; S27-K29 VanDerWaalsContact OG-CB 3.29Å; S27-K29 WeakPolarHBondContact OG-CB 3.3Å; S27-K29 PolarHBondContact OG-N 2.84Å; S27-W44 WeakPolarHBondContact O-CA 3.46Å; S27-M45 PolarHBondContact O-N 3.34Å
28G92.6Very high95.7Very high0 Ų038.9 Ų38.90%022%0.216CC..THydrogen-bonded Turntrans65.718.5-164.700000114G24 R30 M45 L48G24-G28 WeakPolarHBondContact O-CA 3.48Å; G24-G28 PolarHBondContact O-N 2.88Å; G28-R30 PolarHBondContact O-N 2.82Å; G28-M45 WeakPolarHBondContact CA-O 3.35Å; G28-M45 WeakPolarHBondContact O-CB 3.32Å; G28-M45 WeakPolarHBondContact O-CG 3.27Å; G28-L48 VanDerWaalsContact CA-CD2 3.43Å
29K95.9Very high95.8Very high23 Ų2338.2 Ų38.210%0.121%0.214CC..EExtended strand (participates in β ladder)trans-57.3134.2175.6-179.8-168.965.3164.80109.7D3 E22 H23 G24 S27 V31 R42D3-K29 WeakPolarHBondContact OD2-CE 3.21Å; D3-K29 IonicContact OD2-NZ 2.73Å; D3-K29 PolarHBondContact OD2-NZ 2.8Å; E22-K29 IonicContact OE2-NZ 3.72Å; E22-K29 PolarHBondContact OE2-NZ 2.83Å; H23-K29 CarbonylContact C-O 3.48Å; H23-K29 VanDerWaalsContact CA-O 3.28Å; H23-K29 WeakPolarHBondContact CA-O 3.31Å; H23-K29 PolarHBondContact CD2-O 2.83Å; G24-K29 PolarHBondContact N-O 2.93Å; G24-K29 PolarHBondContact O-N 2.9Å; S27-K29 PolarHBondContact O-N 2.82Å; S27-K29 VanDerWaalsContact OG-CB 3.29Å; S27-K29 WeakPolarHBondContact OG-CB 3.3Å; S27-K29 PolarHBondContact OG-N 2.84Å; K29-V31 HydrophobicContact CD-CG2 4.19Å; K29-V31 HydrophobicContact CG-CG2 4.16Å; K29-R42 CarbonylContact C-O 3.53Å; K29-R42 VanDerWaalsContact CA-O 3.23Å; K29-R42 WeakPolarHBondContact CA-O 3.44Å; K29-R42 WeakPolarHBondContact CG-O 3.47Å
30R97.4Very high95.7Very high5 Ų539.3 Ų39.32%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-129.8130.6172.4-62177.9-176.1170.5-1.2110.2F21 E22 G28 R42 M45 K47 L48 V49 E52 I67F21-R30 HydrophobicContact CE2-CB 3.98Å; F21-R30 HydrophobicContact CE2-CG 4.41Å; F21-R30 HydrophobicContact CZ-CB 4.07Å; F21-R30 HydrophobicContact CZ-CG 3.98Å; E22-R30 VanDerWaalsContact O-CA 3.31Å; E22-R30 WeakPolarHBondContact O-CA 3.42Å; G28-R30 PolarHBondContact O-N 2.82Å; R30-R42 HydrophobicContact CB-CB 4.16Å; R30-R42 HydrophobicContact CB-CG 4.35Å; R30-R42 PolarHBondContact N-O 2.77Å; R30-R42 PolarHBondContact O-N 2.8Å; R30-M45 HydrophobicContact CG-SD 4.3Å; R30-K47 PolarHBondContact NH2-O 2.8Å; R30-L48 PolarHBondContact NH2-O 3.06Å; R30-V49 PolarHBondContact NH2-O 3.16Å; R30-E52 VanDerWaalsContact CD-OE1 3.27Å; R30-E52 WeakPolarHBondContact CD-OE1 3.07Å; R30-E52 IonicContact CZ-OE1 3.78Å; R30-E52 IonicContact NE-OE1 3.95Å; R30-E52 IonicContact NH1-OE1 2.8Å; R30-E52 PolarHBondContact NH1-OE1 3.23Å; R30-I67 VanDerWaalsContact NE-CD1 3.34Å
31V98Very high95.7Very high0 Ų042.5 Ų42.50%023%0.23CC..EExtended strand (participates in β ladder)trans-134.7129.6173.4-163.90000109.3F21 E22 K29 Y33 E38 I40F21-V31 WeakPolarHBondContact CA-O 3.4Å; F21-V31 VanDerWaalsContact CD2-O 3.26Å; F21-V31 WeakPolarHBondContact CD2-O 3.4Å; E22-V31 HydrophobicContact CB-CB 4.04Å; E22-V31 HydrophobicContact CB-CG2 4.33Å; E22-V31 HydrophobicContact CG-CB 4.47Å; E22-V31 PolarHBondContact N-O 3.16Å; E22-V31 PolarHBondContact O-N 3.05Å; K29-V31 HydrophobicContact CD-CG2 4.19Å; K29-V31 HydrophobicContact CG-CG2 4.16Å; V31-Y33 HydrophobicContact CB-CE2 3.93Å; V31-Y33 HydrophobicContact CG1-CD2 4.17Å; V31-Y33 HydrophobicContact CG1-CE1 3.99Å; V31-Y33 HydrophobicContact CG1-CE2 3.49Å; V31-Y33 VanDerWaalsContact CG1-CE2 3.49Å; V31-E38 HydrophobicContact CG1-CG 4.01Å; V31-I40 CarbonylContact C-O 3.54Å; V31-I40 VanDerWaalsContact CA-O 3.29Å; V31-I40 WeakPolarHBondContact CA-O 3.4Å; V31-I40 WeakPolarHBondContact CG1-O 3.31Å
32V98.2Very high95.7Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-111.7127.1174.8-177.60000108I19 E20 F21 V34 E39 I40 E52 F54 I65I19-V32 HydrophobicContact CG2-CG1 4.39Å; E20-V32 WeakPolarHBondContact O-CA 3.33Å; F21-V32 HydrophobicContact CD2-CG2 3.68Å; F21-V32 HydrophobicContact CE2-CG2 3.89Å; V32-V34 HydrophobicContact CG1-CG2 4.49Å; V32-E39 PolarHBondContact O-N 2.94Å; V32-I40 HydrophobicContact CB-CB 3.99Å; V32-I40 HydrophobicContact CB-CG1 4.45Å; V32-I40 HydrophobicContact CG2-CB 3.97Å; V32-I40 HydrophobicContact CG2-CD1 4.2Å; V32-I40 HydrophobicContact CG2-CG1 4.44Å; V32-I40 PolarHBondContact N-O 2.87Å; V32-I40 PolarHBondContact O-N 2.96Å; V32-E52 HydrophobicContact CG2-CB 4.39Å; V32-F54 HydrophobicContact CG1-CD1 3.95Å; V32-F54 HydrophobicContact CG1-CD2 4.06Å; V32-F54 HydrophobicContact CG1-CE1 3.8Å; V32-F54 HydrophobicContact CG1-CE2 3.87Å; V32-F54 HydrophobicContact CG1-CG 4.1Å; V32-F54 HydrophobicContact CG1-CZ 3.75Å; V32-F54 HydrophobicContact CG2-CD1 4.35Å; V32-F54 HydrophobicContact CG2-CE1 4.33Å; V32-I65 HydrophobicContact CG1-CD1 4.3Å; V32-I65 HydrophobicContact CG2-CD1 4.1Å
33Y97.8Very high95.5Very high33 Ų3354 Ų5413%0.12928%0.279CS..EExtended strand (participates in β ladder)trans-113141.3169.2-50.3-96.1000110.2I19 E20 E22 V31 K37 E38I19-Y33 WeakPolarHBondContact CA-O 3.42Å; E20-Y33 HydrophobicContact CB-CD2 4.28Å; E20-Y33 PolarHBondContact N-O 3.5Å; E20-Y33 PolarHBondContact O-N 3.45Å; E22-Y33 HydrophobicContact CG-CE2 4.09Å; E22-Y33 VanDerWaalsContact OE1-CE2 3.31Å; E22-Y33 WeakPolarHBondContact OE1-CE2 3.42Å; E22-Y33 PolarHBondContact OE1-OH 2.77Å; V31-Y33 HydrophobicContact CB-CE2 3.93Å; V31-Y33 HydrophobicContact CG1-CD2 4.17Å; V31-Y33 HydrophobicContact CG1-CE1 3.99Å; V31-Y33 HydrophobicContact CG1-CE2 3.49Å; V31-Y33 VanDerWaalsContact CG1-CE2 3.49Å; Y33-K37 CarbonylContact C-O 3.59Å; Y33-K37 WeakPolarHBondContact CA-O 2.99Å; Y33-E38 HydrophobicContact CD1-CB 3.97Å; Y33-E38 HydrophobicContact CE1-CB 4.01Å; Y33-E38 HydrophobicContact CE1-CG 4.45Å
34V97.6Very high95.5Very high9 Ų962.1 Ų62.16%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-124.8119.5171.5-178.70000107K18 I19 V32 G36 K37 E39 F54 V56K18-V34 CarbonylContact O-C 3.54Å; K18-V34 WeakPolarHBondContact O-CA 3.21Å; I19-V34 HydrophobicContact CG1-CG2 4.41Å; V32-V34 HydrophobicContact CG1-CG2 4.49Å; V34-G36 PolarHBondContact O-N 2.89Å; V34-K37 PolarHBondContact N-O 2.83Å; V34-K37 WeakPolarHBondContact O-CB 3.38Å; V34-K37 PolarHBondContact O-N 2.94Å; V34-E39 HydrophobicContact CB-CG 3.9Å; V34-E39 HydrophobicContact CG2-CB 4.39Å; V34-E39 HydrophobicContact CG2-CG 3.67Å; V34-F54 HydrophobicContact CG2-CD2 3.86Å; V34-F54 HydrophobicContact CG2-CE2 3.86Å; V34-V56 HydrophobicContact CG1-CG1 3.92Å; V34-V56 HydrophobicContact CG1-CG2 4.47Å; V34-V56 HydrophobicContact CG2-CG2 4.34Å
35D96.3Very high95.3Very high86 Ų8664.3 Ų64.346%0.4632%0.319SS..THydrogen-bonded Turntrans51.740.6-176.3-52.5-40.9000113.2H17 K18 K37H17-D35 VanDerWaalsContact CA-OD1 3.24Å; H17-D35 WeakPolarHBondContact CA-OD1 3.31Å; H17-D35 IonicContact CE1-OD2 2.93Å; H17-D35 IonicContact CG-OD2 2.91Å; H17-D35 IonicContact ND1-OD1 2.8Å; H17-D35 IonicContact ND1-OD2 3.45Å; H17-D35 PolarHBondContact ND1-OD2 2.9Å; K18-D35 PolarHBondContact N-OD1 2.78Å; K18-D35 PolarHBondContact O-N 2.97Å; D35-K37 PolarHBondContact O-N 2.82Å
36G95.4Very high95.2Very high58 Ų5869.4 Ų69.460%0.59834%0.335SS*.THydrogen-bonded Turntrans76.3-2.2-178.300000115V34V34-G36 PolarHBondContact O-N 2.89Å
37K96.9Very high95.3Very high131 Ų13168.8 Ų68.857%0.5732%0.32SS*.EExtended strand (participates in β ladder)trans-95.9132.4175.1-177-179.3167.7-117.80110.8Y33 V34 D35 E39Y33-K37 CarbonylContact C-O 3.59Å; Y33-K37 WeakPolarHBondContact CA-O 2.99Å; V34-K37 PolarHBondContact N-O 2.83Å; V34-K37 WeakPolarHBondContact O-CB 3.38Å; V34-K37 PolarHBondContact O-N 2.94Å; D35-K37 PolarHBondContact O-N 2.82Å; K37-E39 IonicContact NZ-OE1 2.71Å; K37-E39 PolarHBondContact NZ-OE1 2.84Å; K37-E39 PolarHBondContact O-N 3.21Å
38E97.1Very high95.2Very high81 Ų8168.6 Ų68.638%0.37932%0.316SS..EExtended strand (participates in β ladder)trans-68.6122.2174.4-176.5179.8129.400111.2V31 Y33 R41V31-E38 HydrophobicContact CG1-CG 4.01Å; Y33-E38 HydrophobicContact CD1-CB 3.97Å; Y33-E38 HydrophobicContact CE1-CB 4.01Å; Y33-E38 HydrophobicContact CE1-CG 4.45Å; E38-R41 HydrophobicContact CG-CB 4.44Å; E38-R41 WeakPolarHBondContact OE1-CB 3.43Å; E38-R41 WeakPolarHBondContact OE1-CD 3.28Å; E38-R41 IonicContact OE1-CZ 2.68Å; E38-R41 IonicContact OE1-NE 3.7Å; E38-R41 PolarHBondContact OE1-NE 2.86Å; E38-R41 IonicContact OE2-CZ 2.8Å; E38-R41 IonicContact OE2-NE 3.59Å; E38-R41 PolarHBondContact OE2-NE 2.68Å; E38-R41 IonicContact OE2-NH2 2.72Å; E38-R41 PolarHBondContact OE2-NH2 3.29Å
39E97.3Very high95.3Very high67 Ų6770.8 Ų70.831%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-105.1-31.5175.7-70.7-63135.700111.9V32 V34 K37V32-E39 PolarHBondContact O-N 2.94Å; V34-E39 HydrophobicContact CB-CG 3.9Å; V34-E39 HydrophobicContact CG2-CB 4.39Å; V34-E39 HydrophobicContact CG2-CG 3.67Å; K37-E39 IonicContact NZ-OE1 2.71Å; K37-E39 PolarHBondContact NZ-OE1 2.84Å; K37-E39 PolarHBondContact O-N 3.21Å
40I96.8Very high95.2Very high23 Ų2371.1 Ų71.112%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-137.3136.8177.8-63.1179000109.4V31 V32 R42 E52 F54V31-I40 CarbonylContact C-O 3.54Å; V31-I40 VanDerWaalsContact CA-O 3.29Å; V31-I40 WeakPolarHBondContact CA-O 3.4Å; V31-I40 WeakPolarHBondContact CG1-O 3.31Å; V32-I40 HydrophobicContact CB-CB 3.99Å; V32-I40 HydrophobicContact CB-CG1 4.45Å; V32-I40 HydrophobicContact CG2-CB 3.97Å; V32-I40 HydrophobicContact CG2-CD1 4.2Å; V32-I40 HydrophobicContact CG2-CG1 4.44Å; V32-I40 PolarHBondContact N-O 2.87Å; V32-I40 PolarHBondContact O-N 2.96Å; I40-R42 HydrophobicContact CG2-CG 4.31Å; I40-E52 HydrophobicContact CD1-CB 3.92Å; I40-F54 HydrophobicContact CD1-CB 3.86Å; I40-F54 HydrophobicContact CD1-CD1 4.08Å; I40-F54 HydrophobicContact CD1-CG 4.39Å; I40-F54 HydrophobicContact CG1-CB 4.31Å
41R96.9Very high95.2Very high102 Ų10277.1 Ų77.139%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-135.6126.4164.7174.5175.5-64.9-80.8-5.2111.7E38 E43E38-R41 HydrophobicContact CG-CB 4.44Å; E38-R41 WeakPolarHBondContact OE1-CB 3.43Å; E38-R41 WeakPolarHBondContact OE1-CD 3.28Å; E38-R41 IonicContact OE1-CZ 2.68Å; E38-R41 IonicContact OE1-NE 3.7Å; E38-R41 PolarHBondContact OE1-NE 2.86Å; E38-R41 IonicContact OE2-CZ 2.8Å; E38-R41 IonicContact OE2-NE 3.59Å; E38-R41 PolarHBondContact OE2-NE 2.68Å; E38-R41 IonicContact OE2-NH2 2.72Å; E38-R41 PolarHBondContact OE2-NH2 3.29Å; R41-E43 IonicContact NH1-OE2 2.69Å; R41-E43 PolarHBondContact NH1-OE2 2.72Å
42R96.2Very high95.2Very high132 Ų13277.8 Ų77.850%0.49837%0.368SS..EExtended strand (participates in β ladder)trans-121.7110.9168.1-55-63-174.4-176.1-1.3106.9K29 R30 I40 W44 M45 E52K29-R42 CarbonylContact C-O 3.53Å; K29-R42 VanDerWaalsContact CA-O 3.23Å; K29-R42 WeakPolarHBondContact CA-O 3.44Å; K29-R42 WeakPolarHBondContact CG-O 3.47Å; R30-R42 HydrophobicContact CB-CB 4.16Å; R30-R42 HydrophobicContact CB-CG 4.35Å; R30-R42 PolarHBondContact N-O 2.77Å; R30-R42 PolarHBondContact O-N 2.8Å; I40-R42 HydrophobicContact CG2-CG 4.31Å; R42-W44 VanDerWaalsContact C-N 3.34Å; R42-M45 HydrophobicContact CB-CG 4.09Å; R42-M45 HydrophobicContact CB-SD 3.92Å; R42-M45 HydrophobicContact CG-SD 3.96Å; R42-E52 IonicContact NE-OE2 3.9Å
43E93.6Very high95.1Very high121 Ų12180.6 Ų80.657%0.56539%0.385SS*.SBendtrans-74.7-29.5-175.6-158.757.7-147.200112.3R41R41-E43 IonicContact NH1-OE2 2.69Å; R41-E43 PolarHBondContact NH1-OE2 2.72Å
44W94.1Very high95.1Very high174 Ų17479.3 Ų79.366%0.65938%0.38SS*.  trans-150.9138-179.6-169.589.3000111.7S27 R42 F46S27-W44 WeakPolarHBondContact O-CA 3.46Å; R42-W44 VanDerWaalsContact C-N 3.34Å; W44-F46 HydrophobicContact CH2-CB 3.8Å; W44-F46 HydrophobicContact CH2-CD2 4.08Å; W44-F46 HydrophobicContact CH2-CG 4.46Å; W44-F46 HydrophobicContact CZ3-CB 4.06Å
45M91.6Very high95Very high49 Ų4983.9 Ų83.924%0.24140%0.4CS..  trans-146136.2173.3-62-172.959.200111S27 G28 R30 R42S27-M45 PolarHBondContact O-N 3.34Å; G28-M45 WeakPolarHBondContact CA-O 3.35Å; G28-M45 WeakPolarHBondContact O-CB 3.32Å; G28-M45 WeakPolarHBondContact O-CG 3.27Å; R30-M45 HydrophobicContact CG-SD 4.3Å; R42-M45 HydrophobicContact CB-CG 4.09Å; R42-M45 HydrophobicContact CB-SD 3.92Å; R42-M45 HydrophobicContact CG-SD 3.96Å
46F86.4Confident95Very high182 Ų18279.9 Ų79.980%0.79838%0.378SS*.SBendtrans-70.2-36.1174.4-171.8-96.7000112.6W44W44-F46 HydrophobicContact CH2-CB 3.8Å; W44-F46 HydrophobicContact CH2-CD2 4.08Å; W44-F46 HydrophobicContact CH2-CG 4.46Å; W44-F46 HydrophobicContact CZ3-CB 4.06Å
47K91.7Very high94.8Very high129 Ų12978 Ų7856%0.56136%0.359SS*.  trans-96.4122.5-177.2-171.2-179.1173.9175.20110.2R30 V49R30-K47 PolarHBondContact NH2-O 2.8Å; K47-V49 HydrophobicContact CD-CG2 4.36Å; K47-V49 WeakPolarHBondContact CE-O 3.36Å; K47-V49 HydrophobicContact CG-CG2 4.15Å; K47-V49 WeakPolarHBondContact CG-O 3.49Å
48L90.3Very high94.4Very high36 Ų3675 Ų7519%0.18836%0.359CS..  trans-83.5-31.7-178.1-59.6178.5000113.1H23 T25 G28 R30 I67 Y75H23-L48 PolarHBondContact CE1-O 2.88Å; H23-L48 VanDerWaalsContact CE1-O 3.23Å; H23-L48 PolarHBondContact NE2-O 2.89Å; T25-L48 VanDerWaalsContact O-CD1 3.27Å; T25-L48 WeakPolarHBondContact O-CD1 3.45Å; G28-L48 VanDerWaalsContact CA-CD2 3.43Å; R30-L48 PolarHBondContact NH2-O 3.06Å; L48-I67 WeakPolarHBondContact O-CG2 3.19Å; L48-Y75 HydrophobicContact CB-CE1 3.98Å; L48-Y75 HydrophobicContact CD1-CE2 4.35Å; L48-Y75 WeakPolarHBondContact CD1-OH 3.49Å
49V94.9Very high93.9Very high46 Ų4672.7 Ų72.728%0.27935%0.354SS..SBendtrans-87158.2175-56.40000112.2R30 K47 I67 A69 Y75R30-V49 PolarHBondContact NH2-O 3.16Å; K47-V49 HydrophobicContact CD-CG2 4.36Å; K47-V49 WeakPolarHBondContact CE-O 3.36Å; K47-V49 HydrophobicContact CG-CG2 4.15Å; K47-V49 WeakPolarHBondContact CG-O 3.49Å; V49-I67 WeakPolarHBondContact CA-O 3.35Å; V49-I67 VanDerWaalsContact CB-O 3.3Å; V49-I67 WeakPolarHBondContact CB-O 3.05Å; V49-A69 HydrophobicContact CG1-CB 3.77Å; V49-Y75 HydrophobicContact CG1-CD1 4.1Å; V49-Y75 HydrophobicContact CG1-CE1 3.85Å
50G95.4Very high93.6Very high29 Ų2975.7 Ų75.730%0.29937%0.365SS..EExtended strand (participates in β ladder)trans142.8-148.7179.800000111.8I67G50-I67 PolarHBondContact N-O 3.28Å; G50-I67 PolarHBondContact O-N 3.45Å
51K96.6Very high93.3Very high131 Ų13175.1 Ų75.157%0.5736%0.363SS*.EExtended strand (participates in β ladder)trans-148.4153.9179.666.4-176.5179.6-178.10112.6T64 I65 N66K51-T64 HydrophobicContact CB-CG2 3.95Å; K51-T64 HydrophobicContact CD-CG2 4.05Å; K51-T64 HydrophobicContact CG-CG2 4.41Å; K51-I65 CarbonylContact C-O 3.55Å; K51-I65 WeakPolarHBondContact CA-O 3.45Å; K51-I65 WeakPolarHBondContact CB-O 3.2Å; K51-N66 WeakPolarHBondContact CB-OD1 3.41Å
52E97.6Very high93.2Very high15 Ų1575.5 Ų75.57%0.0737%0.368CS..EExtended strand (participates in β ladder)trans-122.2132.3169-62.8-57.8147.400108.7R30 V32 I40 R42 T64 I65R30-E52 VanDerWaalsContact CD-OE1 3.27Å; R30-E52 WeakPolarHBondContact CD-OE1 3.07Å; R30-E52 IonicContact CZ-OE1 3.78Å; R30-E52 IonicContact NE-OE1 3.95Å; R30-E52 IonicContact NH1-OE1 2.8Å; R30-E52 PolarHBondContact NH1-OE1 3.23Å; V32-E52 HydrophobicContact CG2-CB 4.39Å; I40-E52 HydrophobicContact CD1-CB 3.92Å; R42-E52 IonicContact NE-OE2 3.9Å; E52-T64 CarbonylContact O-C 3.59Å; E52-T64 VanDerWaalsContact O-CA 3.28Å; E52-T64 WeakPolarHBondContact O-CA 3.45Å; E52-I65 PolarHBondContact N-O 3.11Å; E52-I65 PolarHBondContact O-N 2.93Å
53T97.4Very high93.2Very high58 Ų5869.2 Ų69.236%0.35634%0.344SS..EExtended strand (participates in β ladder)trans-118.8130.2-178.6-64.30000109.3K62 A63 T64T53-K62 HydrophobicContact CG2-CD 4.42Å; T53-K62 VanDerWaalsContact CG2-CE 3.49Å; T53-K62 HydrophobicContact CG2-CG 4.07Å; T53-A63 WeakPolarHBondContact CA-O 3.24Å; T53-T64 PolarHBondContact OG1-OG1 2.83Å
54F97.3Very high93.4Very high6 Ų664 Ų643%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-145.8-176.7-17653.2-79.4000110.1I19 V32 V34 I40 V56 A63 I65 L79I19-F54 HydrophobicContact CD1-CE2 4.21Å; I19-F54 HydrophobicContact CD1-CZ 4.49Å; I19-F54 HydrophobicContact CG1-CE2 4.47Å; I19-F54 HydrophobicContact CG2-CE2 4.06Å; I19-F54 HydrophobicContact CG2-CZ 3.85Å; V32-F54 HydrophobicContact CG1-CD1 3.95Å; V32-F54 HydrophobicContact CG1-CD2 4.06Å; V32-F54 HydrophobicContact CG1-CE1 3.8Å; V32-F54 HydrophobicContact CG1-CE2 3.87Å; V32-F54 HydrophobicContact CG1-CG 4.1Å; V32-F54 HydrophobicContact CG1-CZ 3.75Å; V32-F54 HydrophobicContact CG2-CD1 4.35Å; V32-F54 HydrophobicContact CG2-CE1 4.33Å; V34-F54 HydrophobicContact CG2-CD2 3.86Å; V34-F54 HydrophobicContact CG2-CE2 3.86Å; I40-F54 HydrophobicContact CD1-CB 3.86Å; I40-F54 HydrophobicContact CD1-CD1 4.08Å; I40-F54 HydrophobicContact CD1-CG 4.39Å; I40-F54 HydrophobicContact CG1-CB 4.31Å; F54-V56 HydrophobicContact CD2-CG2 3.91Å; F54-V56 HydrophobicContact CE2-CG2 3.67Å; F54-A63 HydrophobicContact CD2-CB 3.88Å; F54-A63 HydrophobicContact CE1-CB 4.14Å; F54-A63 HydrophobicContact CE2-CB 3.48Å; F54-A63 VanDerWaalsContact CE2-CB 3.48Å; F54-A63 HydrophobicContact CG-CB 4.37Å; F54-A63 HydrophobicContact CZ-CB 3.62Å; F54-A63 PolarHBondContact N-O 2.69Å; F54-A63 PolarHBondContact O-N 2.85Å; F54-I65 HydrophobicContact CE1-CB 4.49Å; F54-I65 HydrophobicContact CE1-CD1 3.62Å; F54-I65 HydrophobicContact CE1-CG1 3.76Å; F54-I65 HydrophobicContact CZ-CD1 3.79Å; F54-I65 HydrophobicContact CZ-CG1 4.03Å; F54-L79 HydrophobicContact CZ-CD1 4.08Å
55F96.1Very high93.5Very high106 Ų10655.8 Ų55.847%0.46529%0.289SS..EExtended strand (participates in β ladder)trans-124.3141.4-179.2-60.7-77.1000111K60 T61 K62F55-K60 HydrophobicContact CB-CB 4.22Å; F55-K60 HydrophobicContact CB-CD 4.02Å; F55-K60 HydrophobicContact CD1-CB 4.3Å; F55-K60 WeakPolarHBondContact CD1-O 3.2Å; F55-K60 HydrophobicContact CG-CB 4.43Å; F55-T61 CarbonylContact C-O 3.5Å; F55-T61 WeakPolarHBondContact CA-O 3.14Å; F55-K62 HydrophobicContact CD1-CB 4.37Å; F55-K62 HydrophobicContact CE1-CB 4.25Å; F55-K62 HydrophobicContact CE1-CG 4.36Å
56V94.4Very high93.7Very high1 Ų154.8 Ų54.81%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-120.5142.7-176.1-174.60000109.6L12 H17 I19 V34 F54 T61 A63L12-V56 HydrophobicContact CD1-CB 4Å; L12-V56 HydrophobicContact CD1-CG1 3.65Å; H17-V56 HydrophobicContact CB-CG1 3.56Å; I19-V56 HydrophobicContact CD1-CG2 3.89Å; I19-V56 HydrophobicContact CG1-CG2 4.44Å; V34-V56 HydrophobicContact CG1-CG1 3.92Å; V34-V56 HydrophobicContact CG1-CG2 4.47Å; V34-V56 HydrophobicContact CG2-CG2 4.34Å; F54-V56 HydrophobicContact CD2-CG2 3.91Å; F54-V56 HydrophobicContact CE2-CG2 3.67Å; V56-T61 PolarHBondContact N-O 2.73Å; V56-T61 PolarHBondContact O-N 3.22Å; V56-A63 HydrophobicContact CG2-CB 3.7Å
57G91.8Very high94.2Very high18 Ų1846.1 Ų46.119%0.18625%0.247CC..THydrogen-bonded Turntrans69.2-178.5175.100000115.1D14 K60D14-G57 WeakPolarHBondContact OD2-CA 3.1Å; G57-K60 PolarHBondContact O-N 3.04Å
58A89.4Confident94.3Very high69 Ų6943.9 Ų43.957%0.5724%0.241SC*.THydrogen-bonded Turntrans-69.7-33.3178.800000112.1D14 K60 W121D14-A58 HydrophobicContact CB-CB 4.37Å; D14-A58 PolarHBondContact OD2-N 3.49Å; A58-K60 PolarHBondContact O-N 2.74Å; A58-W121 HydrophobicContact CB-CH2 3.55Å; A58-W121 HydrophobicContact CB-CZ3 3.79Å
59A85.8Confident94.3Very high33 Ų3345.4 Ų45.427%0.27326%0.259SS..THydrogen-bonded Turntrans-70.5-6.3175.100000113.7T61 W121A59-T61 VanDerWaalsContact C-N 3.25Å; A59-T61 PolarHBondContact O-N 2.86Å; A59-W121 HydrophobicContact CB-CH2 4.32Å; A59-W121 HydrophobicContact CB-CZ2 3.82Å
60K91.4Very high94.1Very high129 Ų12947 Ų4756%0.56127%0.266SS*.THydrogen-bonded Turntrans51.446.9-172.7-60.7-62.1-175.7-171.50111.5F55 G57 A58 K62F55-K60 HydrophobicContact CB-CB 4.22Å; F55-K60 HydrophobicContact CB-CD 4.02Å; F55-K60 HydrophobicContact CD1-CB 4.3Å; F55-K60 WeakPolarHBondContact CD1-O 3.2Å; F55-K60 HydrophobicContact CG-CB 4.43Å; G57-K60 PolarHBondContact O-N 3.04Å; A58-K60 PolarHBondContact O-N 2.74Å; K60-K62 PolarHBondContact O-N 3.47Å
61T90.7Very high93.4Very high12 Ų1251.1 Ų51.17%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-62131.8176.8-53.60000109.6L12 F55 V56 A59 A63 I81 D82L12-T61 HydrophobicContact CD2-CG2 4.2Å; F55-T61 CarbonylContact C-O 3.5Å; F55-T61 WeakPolarHBondContact CA-O 3.14Å; V56-T61 PolarHBondContact N-O 2.73Å; V56-T61 PolarHBondContact O-N 3.22Å; A59-T61 VanDerWaalsContact C-N 3.25Å; A59-T61 PolarHBondContact O-N 2.86Å; T61-A63 PolarHBondContact O-N 2.83Å; T61-I81 HydrophobicContact CG2-CG2 3.59Å; T61-D82 WeakPolarHBondContact CG2-OD2 3.07Å
62K94.3Very high92.8Very high109 Ų10948.2 Ų48.247%0.47430%0.297SS..EExtended strand (participates in β ladder)trans-76.9125.7-174.4-174.6-179.3-179179.50110T53 F55 K60 D82T53-K62 HydrophobicContact CG2-CD 4.42Å; T53-K62 VanDerWaalsContact CG2-CE 3.49Å; T53-K62 HydrophobicContact CG2-CG 4.07Å; F55-K62 HydrophobicContact CD1-CB 4.37Å; F55-K62 HydrophobicContact CE1-CB 4.25Å; F55-K62 HydrophobicContact CE1-CG 4.36Å; K60-K62 PolarHBondContact O-N 3.47Å; K62-D82 PolarHBondContact N-OD1 2.82Å; K62-D82 PolarHBondContact O-N 3.42Å
63A95.9Very high91.9Very high0 Ų057.6 Ų57.60%034%0.338CS..EExtended strand (participates in β ladder)trans-117.6146.8175.100000110.9T53 F54 V56 T61 L79 E80 I81T53-A63 WeakPolarHBondContact CA-O 3.24Å; F54-A63 HydrophobicContact CD2-CB 3.88Å; F54-A63 HydrophobicContact CE1-CB 4.14Å; F54-A63 HydrophobicContact CE2-CB 3.48Å; F54-A63 VanDerWaalsContact CE2-CB 3.48Å; F54-A63 HydrophobicContact CG-CB 4.37Å; F54-A63 HydrophobicContact CZ-CB 3.62Å; F54-A63 PolarHBondContact N-O 2.69Å; F54-A63 PolarHBondContact O-N 2.85Å; V56-A63 HydrophobicContact CG2-CB 3.7Å; T61-A63 PolarHBondContact O-N 2.83Å; A63-L79 HydrophobicContact CB-CD1 4.27Å; A63-E80 CarbonylContact C-O 3.52Å; A63-E80 VanDerWaalsContact CA-O 3.29Å; A63-E80 WeakPolarHBondContact CA-O 3.42Å; A63-I81 HydrophobicContact CB-CD1 3.78Å
64T97.6Very high91.3Very high13 Ų1356.8 Ų56.88%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-139.4126174.2-650000110K51 E52 T53 E80K51-T64 HydrophobicContact CB-CG2 3.95Å; K51-T64 HydrophobicContact CD-CG2 4.05Å; K51-T64 HydrophobicContact CG-CG2 4.41Å; E52-T64 CarbonylContact O-C 3.59Å; E52-T64 VanDerWaalsContact O-CA 3.28Å; E52-T64 WeakPolarHBondContact O-CA 3.45Å; T53-T64 PolarHBondContact OG1-OG1 2.83Å; T64-E80 PolarHBondContact N-O 3.38Å; T64-E80 PolarHBondContact O-N 2.53Å
65I96.9Very high90.9Very high0 Ų059.5 Ų59.50%035%0.347CS..EExtended strand (participates in β ladder)trans-95.1121.1169.4-68163.5000107.3W8 I19 F21 V32 K51 E52 F54 I67 T78 L79W8-I65 HydrophobicContact CH2-CD1 4.39Å; W8-I65 HydrophobicContact CH2-CG1 4.25Å; W8-I65 HydrophobicContact CH2-CG2 4.3Å; W8-I65 HydrophobicContact CZ3-CD1 3.91Å; W8-I65 HydrophobicContact CZ3-CG1 4.14Å; I19-I65 HydrophobicContact CG2-CD1 4.34Å; F21-I65 HydrophobicContact CB-CD1 3.96Å; F21-I65 HydrophobicContact CD1-CG2 4.02Å; F21-I65 HydrophobicContact CD2-CD1 3.89Å; F21-I65 HydrophobicContact CE1-CG2 4.07Å; F21-I65 HydrophobicContact CG-CD1 3.94Å; F21-I65 HydrophobicContact CG-CG2 4.32Å; F21-I65 HydrophobicContact CZ-CG2 4.43Å; V32-I65 HydrophobicContact CG1-CD1 4.3Å; V32-I65 HydrophobicContact CG2-CD1 4.1Å; K51-I65 CarbonylContact C-O 3.55Å; K51-I65 WeakPolarHBondContact CA-O 3.45Å; K51-I65 WeakPolarHBondContact CB-O 3.2Å; E52-I65 PolarHBondContact N-O 3.11Å; E52-I65 PolarHBondContact O-N 2.93Å; F54-I65 HydrophobicContact CE1-CB 4.49Å; F54-I65 HydrophobicContact CE1-CD1 3.62Å; F54-I65 HydrophobicContact CE1-CG1 3.76Å; F54-I65 HydrophobicContact CZ-CD1 3.79Å; F54-I65 HydrophobicContact CZ-CG1 4.03Å; I65-I67 HydrophobicContact CG2-CG1 4.45Å; I65-T78 CarbonylContact C-O 3.56Å; I65-T78 WeakPolarHBondContact CA-O 3.17Å; I65-L79 HydrophobicContact CG1-CD1 3.82Å
66N96.3Very high90.7Very high29 Ų2959.4 Ų59.416%0.15535%0.348CS..EExtended strand (participates in β ladder)trans-96.5140.3170.7-63.7-67.1000109.7K51 Y77 T78 E80K51-N66 WeakPolarHBondContact CB-OD1 3.41Å; N66-Y77 WeakPolarHBondContact O-CA 3.42Å; N66-T78 PolarHBondContact N-O 2.87Å; N66-T78 PolarHBondContact O-N 3.35Å; N66-E80 PolarHBondContact ND2-OE1 3.07Å
67I96.2Very high90.6Very high0 Ų061.2 Ų61.20%036%0.356CS..EExtended strand (participates in β ladder)trans-121.8109179.1-48.3173.4000107.4F21 R30 L48 V49 G50 I65 Y75 E76 Y77F21-I67 HydrophobicContact CE1-CD1 3.77Å; F21-I67 HydrophobicContact CE1-CG1 4.07Å; F21-I67 HydrophobicContact CZ-CD1 3.64Å; F21-I67 HydrophobicContact CZ-CG1 4.32Å; R30-I67 VanDerWaalsContact NE-CD1 3.34Å; L48-I67 WeakPolarHBondContact O-CG2 3.19Å; V49-I67 WeakPolarHBondContact CA-O 3.35Å; V49-I67 VanDerWaalsContact CB-O 3.3Å; V49-I67 WeakPolarHBondContact CB-O 3.05Å; G50-I67 PolarHBondContact N-O 3.28Å; G50-I67 PolarHBondContact O-N 3.45Å; I65-I67 HydrophobicContact CG2-CG1 4.45Å; I67-Y75 HydrophobicContact CG2-CD1 4.23Å; I67-E76 WeakPolarHBondContact CA-O 3.15Å; I67-Y77 HydrophobicContact CB-CD1 4.43Å; I67-Y77 HydrophobicContact CB-CE1 4.41Å; I67-Y77 HydrophobicContact CD1-CE1 4.49Å; I67-Y77 HydrophobicContact CG1-CD1 4.01Å; I67-Y77 HydrophobicContact CG1-CE1 4.12Å; I67-Y77 HydrophobicContact CG2-CD1 4.11Å; I67-Y77 HydrophobicContact CG2-CE1 3.68Å
68D93.6Very high90.7Very high81 Ų8162.5 Ų62.543%0.43336%0.36SS..EExtended strand (participates in β ladder)trans-115.6140-176.6-67.1-64000110.3Y75 E76D68-Y75 CarbonylContact O-C 3.56Å; D68-Y75 VanDerWaalsContact O-CA 3.27Å; D68-Y75 WeakPolarHBondContact O-CA 3.33Å; D68-E76 PolarHBondContact N-O 3.33Å; D68-E76 PolarHBondContact O-N 2.88Å
69A91.3Very high91Very high69 Ų6959.3 Ų59.357%0.5733%0.333SS*.EExtended strand (participates in β ladder)trans-79.4131173.500000109.2V49 Y75V49-A69 HydrophobicContact CG1-CB 3.77Å; A69-Y75 HydrophobicContact CB-CD1 4.37Å; A69-Y75 HydrophobicContact CB-CE1 4.22Å
70I89.6Confident91.3Very high80 Ų8060.8 Ų60.841%0.4133%0.334SS..EExtended strand (participates in β ladder)trans-114174.2174.360.2168.6000110A74 E76I70-A74 HydrophobicContact CD1-CB 3.89Å; I70-A74 HydrophobicContact CG1-CB 3.73Å; I70-A74 WeakPolarHBondContact CG1-O 3.18Å; I70-A74 PolarHBondContact N-O 2.81Å; I70-E76 HydrophobicContact CG2-CB 3.82Å
71S82.3Confident91.3Very high114 Ų11454.7 Ų54.780%0.79731%0.308SS*.G310 helixtrans-59.5152.2178.453.80000111.7
72G82.2Confident91Very high71 Ų7158.4 Ų58.473%0.73233%0.328SS*.G310 helixtrans78.526.5176.700000115.4A74G72-A74 PolarHBondContact O-N 2.71Å
73F80.2Confident90.3Very high211 Ų21156.1 Ų56.193%0.92534%0.335SS*.G310 helixtrans59.127.8-179.4-59.4-83.9000113.9
74A84.4Confident89.5Confident41 Ų4159.4 Ų59.434%0.33935%0.349SS..EExtended strand (participates in β ladder)trans-103.6168176.500000111.4I70 G72I70-A74 HydrophobicContact CD1-CB 3.89Å; I70-A74 HydrophobicContact CG1-CB 3.73Å; I70-A74 WeakPolarHBondContact CG1-O 3.18Å; I70-A74 PolarHBondContact N-O 2.81Å; G72-A74 PolarHBondContact O-N 2.71Å
75Y88.8Confident88.5Confident63 Ų6361 Ų6125%0.24736%0.361CS..EExtended strand (participates in β ladder)trans-125.5142.6178.1-60.2-81000110.1T25 L48 V49 I67 D68 A69T25-Y75 HydrophobicContact CG2-CD2 3.84Å; T25-Y75 HydrophobicContact CG2-CE2 3.76Å; L48-Y75 HydrophobicContact CB-CE1 3.98Å; L48-Y75 HydrophobicContact CD1-CE2 4.35Å; L48-Y75 WeakPolarHBondContact CD1-OH 3.49Å; V49-Y75 HydrophobicContact CG1-CD1 4.1Å; V49-Y75 HydrophobicContact CG1-CE1 3.85Å; I67-Y75 HydrophobicContact CG2-CD1 4.23Å; D68-Y75 CarbonylContact O-C 3.56Å; D68-Y75 VanDerWaalsContact O-CA 3.27Å; D68-Y75 WeakPolarHBondContact O-CA 3.33Å; A69-Y75 HydrophobicContact CB-CD1 4.37Å; A69-Y75 HydrophobicContact CB-CE1 4.22Å
76E91.5Very high87.2Confident104 Ų10462.7 Ų62.749%0.48637%0.369SS..EExtended strand (participates in β ladder)trans-103.7142.8169.2-177.8173.4-120.100109.5I67 D68 I70I67-E76 WeakPolarHBondContact CA-O 3.15Å; D68-E76 PolarHBondContact N-O 3.33Å; D68-E76 PolarHBondContact O-N 2.88Å; I70-E76 HydrophobicContact CG2-CB 3.82Å
77Y93.6Very high85.8Confident40 Ų4068.5 Ų68.516%0.15739%0.393CS..EExtended strand (participates in β ladder)trans-120.3119.5179.3-54.7-79.2000109.4V5 F21 H23 N66 I67V5-Y77 HydrophobicContact CB-CD2 4.11Å; V5-Y77 HydrophobicContact CB-CE2 3.6Å; V5-Y77 HydrophobicContact CG1-CE2 4.19Å; V5-Y77 HydrophobicContact CG2-CD1 4.25Å; V5-Y77 HydrophobicContact CG2-CD2 4.03Å; V5-Y77 HydrophobicContact CG2-CE1 3.91Å; V5-Y77 HydrophobicContact CG2-CE2 3.69Å; V5-Y77 HydrophobicContact CG2-CG 4.31Å; F21-Y77 AromaticContact CD1-CD1 3.81Å; F21-Y77 HydrophobicContact CD1-CD1 3.81Å; F21-Y77 HydrophobicContact CD1-CE1 4.12Å; F21-Y77 HydrophobicContact CD1-CG 4.5Å; F21-Y77 AromaticContact CE1-CD1 3.69Å; F21-Y77 HydrophobicContact CE1-CD1 3.69Å; F21-Y77 AromaticContact CE1-CE1 3.73Å; F21-Y77 HydrophobicContact CE1-CE1 3.73Å; H23-Y77 HydrophobicContact CB-CE1 4.03Å; H23-Y77 AromaticContact ND1-CE1 3.48Å; H23-Y77 WeakPolarHBondContact ND1-CE1 3.15Å; H23-Y77 AromaticContact ND1-CZ 3.62Å; H23-Y77 PolarHBondContact ND1-OH 2.96Å; N66-Y77 WeakPolarHBondContact O-CA 3.42Å; I67-Y77 HydrophobicContact CB-CD1 4.43Å; I67-Y77 HydrophobicContact CB-CE1 4.41Å; I67-Y77 HydrophobicContact CD1-CE1 4.49Å; I67-Y77 HydrophobicContact CG1-CD1 4.01Å; I67-Y77 HydrophobicContact CG1-CE1 4.12Å; I67-Y77 HydrophobicContact CG2-CD1 4.11Å; I67-Y77 HydrophobicContact CG2-CE1 3.68Å
78T93.4Very high84.1Confident44 Ų4473.9 Ų73.927%0.2742%0.417SS..EExtended strand (participates in β ladder)trans-120.6129.2-180-59.70000110.4I65 N66I65-T78 CarbonylContact C-O 3.56Å; I65-T78 WeakPolarHBondContact CA-O 3.17Å; N66-T78 PolarHBondContact N-O 2.87Å; N66-T78 PolarHBondContact O-N 3.35Å
79L94.5Very high82.5Confident3 Ų371.2 Ų71.22%0.01640%0.401CS..EExtended strand (participates in β ladder)trans-95.1127.9172.5-179.368000111.1W8 V10 I19 F54 A63 I65 I81 L86W8-L79 HydrophobicContact CB-CD2 3.61Å; W8-L79 HydrophobicContact CD2-CB 3.82Å; W8-L79 HydrophobicContact CD2-CD2 3.96Å; W8-L79 HydrophobicContact CD2-CG 4.48Å; W8-L79 HydrophobicContact CE3-CB 4.4Å; W8-L79 HydrophobicContact CE3-CD2 4.36Å; W8-L79 HydrophobicContact CG-CB 4.03Å; W8-L79 HydrophobicContact CG-CD2 3.64Å; W8-L79 HydrophobicContact CG-CG 4.5Å; W8-L79 HydrophobicContact CZ2-CB 4.11Å; V10-L79 HydrophobicContact CG2-CD2 3.69Å; I19-L79 HydrophobicContact CD1-CD1 4.3Å; I19-L79 HydrophobicContact CD1-CD2 3.69Å; F54-L79 HydrophobicContact CZ-CD1 4.08Å; A63-L79 HydrophobicContact CB-CD1 4.27Å; I65-L79 HydrophobicContact CG1-CD1 3.82Å; L79-I81 HydrophobicContact CD1-CD1 4.27Å; L79-I81 HydrophobicContact CD2-CD1 4.13Å; L79-I81 HydrophobicContact CG-CD1 4.14Å; L79-I81 HydrophobicContact CG-CG1 4.5Å; L79-L86 PolarHBondContact O-N 2.88Å; L79-L86 VanDerWaalsContact O-N 3.14Å
80E93.2Very high81.2Confident63 Ų6374.1 Ų74.129%0.29440%0.404SS..EExtended strand (participates in β ladder)trans-111135.1169-65.1179.9179.900110.8A63 T64 N66 K84A63-E80 CarbonylContact C-O 3.52Å; A63-E80 VanDerWaalsContact CA-O 3.29Å; A63-E80 WeakPolarHBondContact CA-O 3.42Å; T64-E80 PolarHBondContact N-O 3.38Å; T64-E80 PolarHBondContact O-N 2.53Å; N66-E80 PolarHBondContact ND2-OE1 3.07Å; E80-K84 CarbonylContact C-O 3.58Å; E80-K84 WeakPolarHBondContact CA-O 3.14Å
81I89.9Confident79.8Confident1 Ų176.5 Ų76.51%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-115.4123.1172.4-56.1-62000107.5V10 L12 T61 A63 L79 G83 K84 Y89V10-I81 HydrophobicContact CG1-CD1 4.15Å; V10-I81 HydrophobicContact CG1-CG1 3.98Å; V10-I81 HydrophobicContact CG2-CD1 4.34Å; V10-I81 HydrophobicContact CG2-CG1 4.5Å; L12-I81 HydrophobicContact CD2-CG2 4.23Å; T61-I81 HydrophobicContact CG2-CG2 3.59Å; A63-I81 HydrophobicContact CB-CD1 3.78Å; L79-I81 HydrophobicContact CD1-CD1 4.27Å; L79-I81 HydrophobicContact CD2-CD1 4.13Å; L79-I81 HydrophobicContact CG-CD1 4.14Å; L79-I81 HydrophobicContact CG-CG1 4.5Å; I81-G83 PolarHBondContact O-N 3.31Å; I81-K84 PolarHBondContact N-O 2.96Å; I81-K84 PolarHBondContact O-N 2.9Å; I81-Y89 HydrophobicContact CB-CD2 3.91Å; I81-Y89 HydrophobicContact CB-CE2 4.24Å; I81-Y89 HydrophobicContact CB-CG 4.09Å; I81-Y89 HydrophobicContact CG2-CD2 3.76Å; I81-Y89 HydrophobicContact CG2-CE1 4.35Å; I81-Y89 HydrophobicContact CG2-CE2 3.56Å; I81-Y89 HydrophobicContact CG2-CG 4.25Å
82D85.6Confident79Confident91 Ų9172.3 Ų72.349%0.48738%0.382SS..THydrogen-bonded Turntrans4842.7-173.5-65.3-31000113.5T61 K62 K84T61-D82 WeakPolarHBondContact CG2-OD2 3.07Å; K62-D82 PolarHBondContact N-OD1 2.82Å; K62-D82 PolarHBondContact O-N 3.42Å; D82-K84 PolarHBondContact O-N 3.38Å
83G79.4Confident78.2Confident61 Ų6171.5 Ų71.563%0.62936%0.357SS*.THydrogen-bonded Turntrans70.214.9178.600000114.6I81I81-G83 PolarHBondContact O-N 3.31Å
84K79.8Confident77.5Confident69 Ų6965.8 Ų65.830%0.334%0.343SS..EExtended strand (participates in β ladder)trans-116.3138.1172-64173.7-172.4163.40109E80 I81 D82E80-K84 CarbonylContact C-O 3.58Å; E80-K84 WeakPolarHBondContact CA-O 3.14Å; I81-K84 PolarHBondContact N-O 2.96Å; I81-K84 PolarHBondContact O-N 2.9Å; D82-K84 PolarHBondContact O-N 3.38Å
85S76.3Confident76.9Confident47 Ų4770.7 Ų70.733%0.32936%0.357SS..EExtended strand (participates in β ladder)trans-55.9147.517065.10000110.5K87 K88 Y89S85-K87 PolarHBondContact O-N 3.33Å; S85-K87 VanDerWaalsContact O-N 3.14Å; S85-K88 CarbonylContact O-C 3.52Å; S85-K88 WeakPolarHBondContact O-CA 3.49Å; S85-K88 PolarHBondContact O-N 2.7Å; S85-K88 WeakPolarHBondContact OG-CB 3.31Å; S85-Y89 PolarHBondContact O-N 2.83Å
86L69.1Low76.4Confident34 Ų3469.4 Ų69.418%0.17836%0.356CS..Hα-helixtrans-50-44.2-176.9-178.260.9000112.9W8 V10 L79 K88 Y89 M90W8-L86 HydrophobicContact CB-CD2 4.42Å; V10-L86 HydrophobicContact CG1-CD1 4.26Å; V10-L86 HydrophobicContact CG2-CD1 3.96Å; L79-L86 PolarHBondContact O-N 2.88Å; L79-L86 VanDerWaalsContact O-N 3.14Å; L86-K88 PolarHBondContact O-N 2.93Å; L86-Y89 WeakPolarHBondContact O-CB 3.42Å; L86-Y89 PolarHBondContact O-N 2.85Å; L86-M90 HydrophobicContact CD1-CG 4.4Å; L86-M90 HydrophobicContact CG-SD 4.47Å; L86-M90 WeakPolarHBondContact O-CG 3.45Å; L86-M90 PolarHBondContact O-N 2.64Å
87K66.6Low76.1Confident151 Ų15165 Ų6566%0.65734%0.336SS*.Hα-helixtrans-57.2-48.6175.9-175.7178.5178.5-1790112.1S85 Y89 M90 E91S85-K87 PolarHBondContact O-N 3.33Å; S85-K87 VanDerWaalsContact O-N 3.14Å; K87-Y89 VanDerWaalsContact C-N 3.33Å; K87-Y89 PolarHBondContact O-N 2.84Å; K87-M90 PolarHBondContact O-N 3.45Å; K87-E91 WeakPolarHBondContact CE-OE1 3.19Å; K87-E91 WeakPolarHBondContact O-CG 3.34Å; K87-E91 PolarHBondContact O-N 3.01Å; K87-E91 VanDerWaalsContact O-N 3.09Å
88K60.9Low75.9Confident114 Ų11464 Ų6450%0.49634%0.335SS..Hα-helixtrans-70.9-29.1179.4-172.6173.8-177.6-178.80112.2S85 L86 N92S85-K88 CarbonylContact O-C 3.52Å; S85-K88 WeakPolarHBondContact O-CA 3.49Å; S85-K88 PolarHBondContact O-N 2.7Å; S85-K88 WeakPolarHBondContact OG-CB 3.31Å; L86-K88 PolarHBondContact O-N 2.93Å; K88-N92 WeakPolarHBondContact CG-ND2 3.34Å; K88-N92 WeakPolarHBondContact O-CB 3.07Å; K88-N92 PolarHBondContact O-N 2.91Å; K88-N92 PolarHBondContact O-ND2 2.88Å
89Y58.8Low75.8Confident24 Ų2464.7 Ų64.79%0.09434%0.339CS..Hα-helixtrans-66.3-49.4173.2179.2-91.7000110.5L12 I81 S85 L86 K87 E91 N92 R93L12-Y89 HydrophobicContact CD2-CE1 4.33Å; L12-Y89 WeakPolarHBondContact CD2-OH 2.93Å; I81-Y89 HydrophobicContact CB-CD2 3.91Å; I81-Y89 HydrophobicContact CB-CE2 4.24Å; I81-Y89 HydrophobicContact CB-CG 4.09Å; I81-Y89 HydrophobicContact CG2-CD2 3.76Å; I81-Y89 HydrophobicContact CG2-CE1 4.35Å; I81-Y89 HydrophobicContact CG2-CE2 3.56Å; I81-Y89 HydrophobicContact CG2-CG 4.25Å; S85-Y89 PolarHBondContact O-N 2.83Å; L86-Y89 WeakPolarHBondContact O-CB 3.42Å; L86-Y89 PolarHBondContact O-N 2.85Å; K87-Y89 VanDerWaalsContact C-N 3.33Å; K87-Y89 PolarHBondContact O-N 2.84Å; Y89-E91 VanDerWaalsContact C-N 3.33Å; Y89-E91 PolarHBondContact O-N 3.41Å; Y89-N92 PolarHBondContact O-N 2.79Å; Y89-N92 VanDerWaalsContact O-N 3.09Å; Y89-R93 PolarHBondContact O-N 3.36Å
90M64.1Low75.8Confident131 Ų13165.9 Ų65.965%0.64534%0.344SS*.Hα-helixtrans-58.9-43177-68.5-177.178.700112.2L86 K87 N92 R93L86-M90 HydrophobicContact CD1-CG 4.4Å; L86-M90 HydrophobicContact CG-SD 4.47Å; L86-M90 WeakPolarHBondContact O-CG 3.45Å; L86-M90 PolarHBondContact O-N 2.64Å; K87-M90 PolarHBondContact O-N 3.45Å; M90-N92 VanDerWaalsContact C-N 3.29Å; M90-N92 PolarHBondContact O-N 2.93Å; M90-R93 PolarHBondContact O-N 2.76Å
91E60.1Low75.8Confident129 Ų12968 Ų6860%0.60336%0.361SS*.Hα-helixtrans-65.9-26.5177.1-72.5170.3-174.300113.6K87 Y89K87-E91 WeakPolarHBondContact CE-OE1 3.19Å; K87-E91 WeakPolarHBondContact O-CG 3.34Å; K87-E91 PolarHBondContact O-N 3.01Å; K87-E91 VanDerWaalsContact O-N 3.09Å; Y89-E91 VanDerWaalsContact C-N 3.33Å; Y89-E91 PolarHBondContact O-N 3.41Å
92N65.7Low75.9Confident26 Ų2669 Ų6914%0.13937%0.366CS..Hα-helixtrans-971.6-178-75.8-58.1000114.3K88 Y89 M90 S94 K95 T96K88-N92 WeakPolarHBondContact CG-ND2 3.34Å; K88-N92 WeakPolarHBondContact O-CB 3.07Å; K88-N92 PolarHBondContact O-N 2.91Å; K88-N92 PolarHBondContact O-ND2 2.88Å; Y89-N92 PolarHBondContact O-N 2.79Å; Y89-N92 VanDerWaalsContact O-N 3.09Å; M90-N92 VanDerWaalsContact C-N 3.29Å; M90-N92 PolarHBondContact O-N 2.93Å; N92-S94 VanDerWaalsContact C-N 3.3Å; N92-S94 PolarHBondContact O-N 3.43Å; N92-K95 WeakPolarHBondContact O-CB 3.36Å; N92-K95 PolarHBondContact O-N 2.93Å; N92-K95 PolarHBondContact OD1-NZ 3.36Å; N92-K95 VanDerWaalsContact OD1-NZ 3.07Å; N92-T96 PolarHBondContact O-N 2.88Å
93R66.6Low76.1Confident54 Ų5473.2 Ų73.220%0.20438%0.375CS..Hα-helixtrans-56.9-37.8-171.9-172.1177.5-174.713718.9114A11 L12 Y89 M90 K95 T96 T97A11-R93 PolarHBondContact O-NH1 2.89Å; A11-R93 PolarHBondContact O-NH2 3.2Å; L12-R93 PolarHBondContact O-NH2 3.02Å; Y89-R93 PolarHBondContact O-N 3.36Å; M90-R93 PolarHBondContact O-N 2.76Å; R93-K95 PolarHBondContact O-N 2.85Å; R93-T96 PolarHBondContact O-N 3.35Å; R93-T96 PolarHBondContact O-OG1 3.34Å; R93-T97 WeakPolarHBondContact CG-OG1 3.29Å; R93-T97 PolarHBondContact O-N 3.3Å; R93-T97 PolarHBondContact O-OG1 3.39Å
94S64.5Low76.6Confident91 Ų9171.5 Ų71.564%0.63635%0.351SS*.Hα-helixtrans-67.4-21.3177.359.70000113.7N92 T97 K115N92-S94 VanDerWaalsContact C-N 3.3Å; N92-S94 PolarHBondContact O-N 3.43Å; S94-T97 CarbonylContact C-O 3.55Å; S94-T97 VanDerWaalsContact O-O 3.14Å; S94-K115 PolarHBondContact O-NZ 3Å
95K73.1Confident77Confident145 Ų14574.4 Ų74.463%0.6337%0.37SS*.Hα-helixtrans-78.4-42.6175.5-64.7178.9-173.9159.60111.1N92 R93 K115N92-K95 WeakPolarHBondContact O-CB 3.36Å; N92-K95 PolarHBondContact O-N 2.93Å; N92-K95 PolarHBondContact OD1-NZ 3.36Å; N92-K95 VanDerWaalsContact OD1-NZ 3.07Å; R93-K95 PolarHBondContact O-N 2.85Å; K95-K115 WeakPolarHBondContact O-CD 3.43Å; K95-K115 PolarHBondContact O-NZ 3.41Å; K95-K115 VanDerWaalsContact O-NZ 3.09Å
96T76.6Confident77.5Confident35 Ų3574.2 Ų74.222%0.21538%0.376CS..Hα-helixtrans-88.9-23.6-174.454.40000113.3N92 R93 K115N92-T96 PolarHBondContact O-N 2.88Å; R93-T96 PolarHBondContact O-N 3.35Å; R93-T96 PolarHBondContact O-OG1 3.34Å; T96-K115 PolarHBondContact O-N 3Å
97T86.4Confident78.4Confident12 Ų1279.2 Ų79.27%0.07440%0.398CS..EExtended strand (participates in β ladder)trans-133.3150.5-179.462.20000111.7R93 S94 V112 L113 E114R93-T97 WeakPolarHBondContact CG-OG1 3.29Å; R93-T97 PolarHBondContact O-N 3.3Å; R93-T97 PolarHBondContact O-OG1 3.39Å; S94-T97 CarbonylContact C-O 3.55Å; S94-T97 VanDerWaalsContact O-O 3.14Å; T97-V112 HydrophobicContact CG2-CG1 4.23Å; T97-L113 CarbonylContact C-O 3.54Å; T97-L113 WeakPolarHBondContact CA-O 3.48Å; T97-L113 WeakPolarHBondContact CB-O 3.32Å; T97-E114 HydrophobicContact CG2-CG 4.33Å
98S89.9Confident79.5Confident19 Ų1977.6 Ų77.613%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-106.6140.6160.6-62.90000107.9V112 L113 K115S98-V112 CarbonylContact O-C 3.49Å; S98-V112 WeakPolarHBondContact O-CA 3.21Å; S98-L113 PolarHBondContact N-O 2.93Å; S98-L113 PolarHBondContact O-N 3.09Å; S98-K115 WeakPolarHBondContact OG-CE 3.46Å
99T90.9Very high80.9Confident59 Ų5972.7 Ų72.736%0.36238%0.376SS..EExtended strand (participates in β ladder)trans-136.5129.1-178-59.80000109.5R110 V111 V112T99-R110 HydrophobicContact CG2-CG 4.13Å; T99-V111 CarbonylContact C-O 3.51Å; T99-V111 WeakPolarHBondContact CA-O 3.01Å; T99-V112 HydrophobicContact CG2-CG2 4.06Å
100W94.7Very high82.6Confident28 Ų2874.6 Ų74.611%0.10638%0.383CS..EExtended strand (participates in β ladder)trans-119.2139.5175.1-57.9-95.3000109.1R110 V111 L113 I151 H165 L167 I174W100-R110 WeakPolarHBondContact O-CA 3.22Å; W100-V111 HydrophobicContact CE3-CB 4.31Å; W100-V111 HydrophobicContact CE3-CG1 4.13Å; W100-V111 PolarHBondContact N-O 2.81Å; W100-V111 PolarHBondContact O-N 2.9Å; W100-L113 HydrophobicContact CH2-CB 4.19Å; W100-L113 HydrophobicContact CZ3-CB 3.91Å; W100-I151 HydrophobicContact CH2-CD1 4.23Å; W100-I151 HydrophobicContact CH2-CG1 4.1Å; W100-I151 HydrophobicContact CH2-CG2 3.95Å; W100-I151 HydrophobicContact CZ3-CD1 3.91Å; W100-I151 HydrophobicContact CZ3-CG1 4.15Å; W100-H165 HydrophobicContact CH2-CB 4.04Å; W100-H165 HydrophobicContact CZ2-CB 4.08Å; W100-H165 WeakPolarHBondContact CZ2-O 3.35Å; W100-L167 HydrophobicContact CB-CB 4.46Å; W100-L167 HydrophobicContact CB-CD2 3.62Å; W100-L167 HydrophobicContact CD2-CB 3.58Å; W100-L167 HydrophobicContact CD2-CD2 4.15Å; W100-L167 HydrophobicContact CD2-CG 4.48Å; W100-L167 HydrophobicContact CE3-CB 4.13Å; W100-L167 HydrophobicContact CE3-CD2 4.43Å; W100-L167 HydrophobicContact CG-CB 3.71Å; W100-L167 HydrophobicContact CG-CD2 3.8Å; W100-L167 HydrophobicContact CG-CG 4.42Å; W100-L167 HydrophobicContact CZ2-CB 4.13Å; W100-I174 HydrophobicContact CB-CG2 4.35Å
101V91.7Very high84Confident108 Ų10868.4 Ų68.466%0.65535%0.353SS*.EExtended strand (participates in β ladder)trans-121.4121.3171.9-178.40000106.8L109 R110V101-L109 VanDerWaalsContact CA-O 3.31Å; V101-L109 WeakPolarHBondContact CA-O 3.35Å; V101-R110 HydrophobicContact CG2-CG 4.48Å
102L92.1Very high85.6Confident21 Ų2162.3 Ų62.311%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-141.1164.9-178.765.7159.5000109.8L109 V111 L167 V169 I174L102-L109 HydrophobicContact CD2-CB 4.02Å; L102-L109 HydrophobicContact CD2-CD2 3.98Å; L102-L109 HydrophobicContact CG-CB 4.11Å; L102-L109 HydrophobicContact CG-CD2 4.37Å; L102-L109 PolarHBondContact N-O 3.26Å; L102-L109 PolarHBondContact O-N 2.71Å; L102-V111 HydrophobicContact CD2-CG2 4.16Å; L102-L167 HydrophobicContact CD2-CD2 3.94Å; L102-V169 HydrophobicContact CD1-CG2 3.88Å; L102-I174 HydrophobicContact CB-CG2 4.07Å; L102-I174 HydrophobicContact CD1-CD1 3.89Å; L102-I174 HydrophobicContact CD1-CG1 4.11Å
103R90.8Very high87Confident179 Ų17961 Ų6168%0.67532%0.317SS*.EExtended strand (participates in β ladder)trans-110.1122.6172.5-165.7172.5-176.5-179.9-0.2109.2G106 E107R103-G106 PolarHBondContact NE-O 3.44Å; R103-G106 PolarHBondContact NH2-O 2.91Å; R103-E107 CarbonylContact C-O 3.58Å; R103-E107 VanDerWaalsContact CA-O 3.31Å; R103-E107 WeakPolarHBondContact CA-O 3.37Å; R103-E107 WeakPolarHBondContact CG-O 3.34Å
104L89.4Confident88Confident25 Ų2559.9 Ų59.913%0.13131%0.314CS..EExtended strand (participates in β ladder)trans-129.5128-177.5-167.664.5000108.4G106 E107 V144 H147 V169L104-G106 PolarHBondContact O-N 3.18Å; L104-E107 PolarHBondContact N-O 2.8Å; L104-E107 PolarHBondContact O-N 3.47Å; L104-V144 HydrophobicContact CD2-CB 4.34Å; L104-V144 HydrophobicContact CD2-CG1 4.18Å; L104-H147 HydrophobicContact CD2-CB 4.02Å; L104-V169 HydrophobicContact CD1-CG1 3.94Å; L104-V169 HydrophobicContact CD2-CG1 4.16Å
105D89.3Confident89.1Confident130 Ų13058.2 Ų58.270%0.69530%0.295SS*.THydrogen-bonded Turntrans49.930.7-175.1-74.2-6.6000115.5E107 H147D105-E107 VanDerWaalsContact C-N 3.3Å; D105-E107 PolarHBondContact O-N 2.65Å; D105-H147 IonicContact OD1-CE1 2.7Å; D105-H147 IonicContact OD1-NE2 3.77Å; D105-H147 PolarHBondContact OD1-NE2 3.06Å; D105-H147 IonicContact OD2-CD2 3.07Å; D105-H147 IonicContact OD2-CE1 3.45Å; D105-H147 IonicContact OD2-NE2 3.11Å; D105-H147 PolarHBondContact OD2-NE2 3.27Å
106G86.4Confident89.5Confident44 Ų4458.4 Ų58.445%0.45430%0.303SS..THydrogen-bonded Turntrans86.5-6.4179.100000114.8R103 L104R103-G106 PolarHBondContact NE-O 3.44Å; R103-G106 PolarHBondContact NH2-O 2.91Å; L104-G106 PolarHBondContact O-N 3.18Å
107E87.6Confident89.8Confident138 Ų13860.3 Ų60.365%0.64532%0.315SS*.EExtended strand (participates in β ladder)trans-97.2143.5175.4-61.8-168.8164.600112R103 L104 D105R103-E107 CarbonylContact C-O 3.58Å; R103-E107 VanDerWaalsContact CA-O 3.31Å; R103-E107 WeakPolarHBondContact CA-O 3.37Å; R103-E107 WeakPolarHBondContact CG-O 3.34Å; L104-E107 PolarHBondContact N-O 2.8Å; L104-E107 PolarHBondContact O-N 3.47Å; D105-E107 VanDerWaalsContact C-N 3.3Å; D105-E107 PolarHBondContact O-N 2.65Å
108D90.2Very high89.9Confident118 Ų11862.8 Ų62.863%0.63133%0.327SS*.EExtended strand (participates in β ladder)trans-79.6125.7173-68.5-29.5000109.8N123D108-N123 PolarHBondContact O-ND2 2.86Å; D108-N123 VanDerWaalsContact O-ND2 3.16Å
109L91Very high90Very high11 Ų1163.4 Ų63.46%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-116.3132.1-176.5-153.785.1000110V101 L102 V111 C122 V144V101-L109 VanDerWaalsContact CA-O 3.31Å; V101-L109 WeakPolarHBondContact CA-O 3.35Å; L102-L109 HydrophobicContact CD2-CB 4.02Å; L102-L109 HydrophobicContact CD2-CD2 3.98Å; L102-L109 HydrophobicContact CG-CB 4.11Å; L102-L109 HydrophobicContact CG-CD2 4.37Å; L102-L109 PolarHBondContact N-O 3.26Å; L102-L109 PolarHBondContact O-N 2.71Å; L109-V111 HydrophobicContact CD2-CG2 3.65Å; L109-V111 HydrophobicContact CG-CG2 4.31Å; L109-C122 WeakPolarHBondContact CD1-SG 3.29Å; L109-C122 WeakPolarHBondContact CG-SG 3.33Å; L109-V144 HydrophobicContact CD1-CG1 3.77Å; L109-V144 HydrophobicContact CD2-CG1 4.04Å; L109-V144 HydrophobicContact CD2-CG2 4.24Å
110R93.3Very high90.2Very high63 Ų6360.6 Ų60.624%0.23831%0.311CS..EExtended strand (participates in β ladder)trans-115.9110170.4178.6176.6169.1-97.82.9109.3L12 S13 T99 W100 V101 V112 C122 N123L12-R110 PolarHBondContact O-NH2 2.96Å; S13-R110 PolarHBondContact O-NH1 2.85Å; T99-R110 HydrophobicContact CG2-CG 4.13Å; W100-R110 WeakPolarHBondContact O-CA 3.22Å; V101-R110 HydrophobicContact CG2-CG 4.48Å; R110-V112 HydrophobicContact CG-CG2 4.16Å; R110-V112 VanDerWaalsContact CZ-CG2 3.47Å; R110-C122 WeakPolarHBondContact O-CA 3.38Å; R110-N123 PolarHBondContact N-OD1 3Å; R110-N123 PolarHBondContact O-N 2.87Å
111V94.4Very high90.2Very high2 Ų259.5 Ų59.51%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-99.8131.3174.7-1780000109.1T99 W100 L102 L109 V120 W121 F142 I151 L167T99-V111 CarbonylContact C-O 3.51Å; T99-V111 WeakPolarHBondContact CA-O 3.01Å; W100-V111 HydrophobicContact CE3-CB 4.31Å; W100-V111 HydrophobicContact CE3-CG1 4.13Å; W100-V111 PolarHBondContact N-O 2.81Å; W100-V111 PolarHBondContact O-N 2.9Å; L102-V111 HydrophobicContact CD2-CG2 4.16Å; L109-V111 HydrophobicContact CD2-CG2 3.65Å; L109-V111 HydrophobicContact CG-CG2 4.31Å; V111-V120 HydrophobicContact CG1-CG1 4.03Å; V111-W121 CarbonylContact C-O 3.57Å; V111-W121 VanDerWaalsContact CA-O 3.28Å; V111-W121 WeakPolarHBondContact CA-O 3.28Å; V111-F142 HydrophobicContact CG1-CE2 4.44Å; V111-F142 HydrophobicContact CG1-CZ 3.99Å; V111-I151 HydrophobicContact CG1-CD1 4.37Å; V111-L167 HydrophobicContact CB-CD2 4.05Å; V111-L167 HydrophobicContact CG1-CD1 4.45Å; V111-L167 HydrophobicContact CG1-CD2 4.36Å; V111-L167 HydrophobicContact CG2-CD2 4.03Å
112V94.1Very high90.3Very high0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-127127.9177.2-174.20000109.3T97 S98 T99 R110 V120 W121T97-V112 HydrophobicContact CG2-CG1 4.23Å; S98-V112 CarbonylContact O-C 3.49Å; S98-V112 WeakPolarHBondContact O-CA 3.21Å; T99-V112 HydrophobicContact CG2-CG2 4.06Å; R110-V112 HydrophobicContact CG-CG2 4.16Å; R110-V112 VanDerWaalsContact CZ-CG2 3.47Å; V112-V120 WeakPolarHBondContact O-CA 3.44Å; V112-W121 HydrophobicContact CB-CB 4.26Å; V112-W121 PolarHBondContact N-O 3.21Å; V112-W121 PolarHBondContact O-N 3.38Å
113L93.3Very high90.2Very high0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-100.4123.9166.3176.368.4000109.2T97 S98 W100 M118 V120 I151 H165T97-L113 CarbonylContact C-O 3.54Å; T97-L113 WeakPolarHBondContact CA-O 3.48Å; T97-L113 WeakPolarHBondContact CB-O 3.32Å; S98-L113 PolarHBondContact N-O 2.93Å; S98-L113 PolarHBondContact O-N 3.09Å; W100-L113 HydrophobicContact CH2-CB 4.19Å; W100-L113 HydrophobicContact CZ3-CB 3.91Å; L113-M118 HydrophobicContact CD1-CE 4.21Å; L113-M118 HydrophobicContact CD1-SD 4.48Å; L113-M118 HydrophobicContact CD2-CE 4.36Å; L113-V120 HydrophobicContact CD1-CG2 4Å; L113-I151 HydrophobicContact CB-CD1 4.13Å; L113-I151 HydrophobicContact CD1-CD1 4.45Å; L113-I151 HydrophobicContact CD2-CG2 4.04Å; L113-H165 HydrophobicContact CD2-CB 4.25Å; L113-H165 WeakPolarHBondContact CD2-CD2 3.37Å
114E89.4Confident90Very high30 Ų3050.6 Ų50.614%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-83.8115.7163-71.3-174.8177.500109.5S13 T97 D116 T117 M118 D119S13-E114 WeakPolarHBondContact CB-OE1 3.38Å; S13-E114 PolarHBondContact OG-OE1 2.88Å; T97-E114 HydrophobicContact CG2-CG 4.33Å; E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 2.92Å; E114-T117 WeakPolarHBondContact CB-OG1 3.31Å; E114-T117 PolarHBondContact OE2-OG1 2.8Å; E114-M118 WeakPolarHBondContact O-CA 3.26Å; E114-M118 PolarHBondContact O-N 3.45Å; E114-D119 HydrophobicContact CB-CB 4.48Å; E114-D119 PolarHBondContact N-O 3.09Å
115K86.2Confident90.1Very high55 Ų5556.2 Ų56.224%0.23930%0.301CS..THydrogen-bonded Turntrans-74.6-21.4-170.7-60.3-179.2-164.1164.60114.1S94 K95 T96 S98S94-K115 PolarHBondContact O-NZ 3Å; K95-K115 WeakPolarHBondContact O-CD 3.43Å; K95-K115 PolarHBondContact O-NZ 3.41Å; K95-K115 VanDerWaalsContact O-NZ 3.09Å; T96-K115 PolarHBondContact O-N 3Å; S98-K115 WeakPolarHBondContact OG-CE 3.46Å
116D81.4Confident90.2Very high149 Ų14954.9 Ų54.980%0.79729%0.289SS*.THydrogen-bonded Turntrans-82.5-43.8-179.3-74.4-2.5000111.3E114E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 2.92Å
117T84.4Confident90.7Very high76 Ų7654.5 Ų54.547%0.46628%0.275SS..THydrogen-bonded Turntrans-89.9-18-179.853.60000112.6E114 D119E114-T117 WeakPolarHBondContact CB-OG1 3.31Å; E114-T117 PolarHBondContact OE2-OG1 2.8Å; T117-D119 PolarHBondContact O-N 3.24Å; T117-D119 WeakPolarHBondContact OG1-CB 3.47Å; T117-D119 PolarHBondContact OG1-N 3.37Å
118M88.3Confident91Very high64 Ų6456.7 Ų56.732%0.31529%0.286SS..  trans59.319-167.7-60.5-61-64.200113.6L113 E114L113-M118 HydrophobicContact CD1-CE 4.21Å; L113-M118 HydrophobicContact CD1-SD 4.48Å; L113-M118 HydrophobicContact CD2-CE 4.36Å; E114-M118 WeakPolarHBondContact O-CA 3.26Å; E114-M118 PolarHBondContact O-N 3.45Å
119D91.8Very high91.3Very high31 Ų3153.9 Ų53.917%0.16627%0.273CS..  trans-71.8134.1175.9-75.6-25.7000110.9E114 T117 K126E114-D119 HydrophobicContact CB-CB 4.48Å; E114-D119 PolarHBondContact N-O 3.09Å; T117-D119 PolarHBondContact O-N 3.24Å; T117-D119 WeakPolarHBondContact OG1-CB 3.47Å; T117-D119 PolarHBondContact OG1-N 3.37Å; D119-K126 WeakPolarHBondContact OD1-CE 3.42Å; D119-K126 IonicContact OD1-NZ 2.69Å; D119-K126 PolarHBondContact OD1-NZ 2.92Å; D119-K126 WeakPolarHBondContact OD2-CE 3.14Å; D119-K126 IonicContact OD2-NZ 3.53Å; D119-K126 PolarHBondContact OD2-NZ 2.77Å
120V94.9Very high91.4Very high1 Ų156.2 Ų56.21%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-103.5131.2174.3-178.50000109.1V111 V112 L113 M127 T129 T140 F142 I151V111-V120 HydrophobicContact CG1-CG1 4.03Å; V112-V120 WeakPolarHBondContact O-CA 3.44Å; L113-V120 HydrophobicContact CD1-CG2 4Å; V120-M127 HydrophobicContact CB-CB 4.23Å; V120-M127 HydrophobicContact CB-CG 4.44Å; V120-M127 HydrophobicContact CG1-CB 4.29Å; V120-M127 HydrophobicContact CG1-CG 4.02Å; V120-M127 WeakPolarHBondContact O-CB 3.24Å; V120-M127 PolarHBondContact O-N 2.82Å; V120-T129 HydrophobicContact CB-CG2 3.79Å; V120-T129 HydrophobicContact CG2-CG2 3.75Å; V120-T140 HydrophobicContact CG2-CG2 3.99Å; V120-F142 HydrophobicContact CG1-CD1 4.09Å; V120-F142 HydrophobicContact CG1-CD2 4.3Å; V120-F142 HydrophobicContact CG1-CE1 3.97Å; V120-F142 HydrophobicContact CG1-CE2 4.16Å; V120-F142 HydrophobicContact CG1-CG 4.27Å; V120-F142 HydrophobicContact CG1-CZ 3.99Å; V120-I151 HydrophobicContact CG1-CD1 4.14Å; V120-I151 HydrophobicContact CG2-CD1 3.77Å
121W94.8Very high91.4Very high4 Ų456.6 Ų56.62%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-119.4136.7177-59.678.7000109.7D14 A58 A59 V111 V112 Q125 K126D14-W121 HydrophobicContact CB-CD2 4.29Å; D14-W121 HydrophobicContact CB-CE3 3.55Å; D14-W121 HydrophobicContact CB-CH2 3.93Å; D14-W121 HydrophobicContact CB-CZ3 3.33Å; A58-W121 HydrophobicContact CB-CH2 3.55Å; A58-W121 HydrophobicContact CB-CZ3 3.79Å; A59-W121 HydrophobicContact CB-CH2 4.32Å; A59-W121 HydrophobicContact CB-CZ2 3.82Å; V111-W121 CarbonylContact C-O 3.57Å; V111-W121 VanDerWaalsContact CA-O 3.28Å; V111-W121 WeakPolarHBondContact CA-O 3.28Å; V112-W121 HydrophobicContact CB-CB 4.26Å; V112-W121 PolarHBondContact N-O 3.21Å; V112-W121 PolarHBondContact O-N 3.38Å; W121-Q125 CarbonylContact C-O 3.54Å; W121-Q125 VanDerWaalsContact CA-O 3.3Å; W121-Q125 WeakPolarHBondContact CA-O 3.35Å; W121-K126 HydrophobicContact CD2-CB 4.25Å; W121-K126 HydrophobicContact CE3-CB 3.88Å; W121-K126 VanDerWaalsContact CE3-N 3.34Å; W121-K126 HydrophobicContact CH2-CB 3.81Å; W121-K126 HydrophobicContact CH2-CD 4.27Å; W121-K126 HydrophobicContact CH2-CG 4.41Å; W121-K126 HydrophobicContact CZ2-CB 4.18Å; W121-K126 HydrophobicContact CZ2-CD 4.12Å; W121-K126 HydrophobicContact CZ2-CG 4.34Å; W121-K126 HydrophobicContact CZ3-CB 3.65Å
122C93.8Very high91.3Very high10 Ų1061.7 Ų61.77%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-126.4119.6174.9-168.30000109.2L109 R110 G124 Q125 M127L109-C122 WeakPolarHBondContact CD1-SG 3.29Å; L109-C122 WeakPolarHBondContact CG-SG 3.33Å; R110-C122 WeakPolarHBondContact O-CA 3.38Å; C122-G124 PolarHBondContact O-N 2.98Å; C122-Q125 PolarHBondContact N-O 3.21Å; C122-Q125 PolarHBondContact O-N 2.88Å; C122-M127 HydrophobicContact CB-CE 4.14Å; C122-M127 HydrophobicContact CB-CG 3.82Å; C122-M127 HydrophobicContact CB-SD 3.35Å; C122-M127 WeakPolarHBondContact CB-SD 3.29Å
123N90.4Very high91Very high91 Ų9170.3 Ų70.349%0.48738%0.378SS..THydrogen-bonded Turntrans48.835.3-177.2-73.8-7.4000113.7D108 R110 Q125D108-N123 PolarHBondContact O-ND2 2.86Å; D108-N123 VanDerWaalsContact O-ND2 3.16Å; R110-N123 PolarHBondContact N-OD1 3Å; R110-N123 PolarHBondContact O-N 2.87Å; N123-Q125 VanDerWaalsContact C-N 3.34Å
124G85.8Confident90.7Very high21 Ų2172.2 Ų72.222%0.21639%0.39CS..THydrogen-bonded Turntrans87.9-6179.100000115.4D14 C122D14-G124 WeakPolarHBondContact O-CA 3.33Å; C122-G124 PolarHBondContact O-N 2.98Å
125Q90.4Very high90.4Very high142 Ų14279.5 Ų79.566%0.66443%0.43SS*.EExtended strand (participates in β ladder)trans-96.2132.5176.5-173.3176.2-2400110.9W121 C122 N123 M127W121-Q125 CarbonylContact C-O 3.54Å; W121-Q125 VanDerWaalsContact CA-O 3.3Å; W121-Q125 WeakPolarHBondContact CA-O 3.35Å; C122-Q125 PolarHBondContact N-O 3.21Å; C122-Q125 PolarHBondContact O-N 2.88Å; N123-Q125 VanDerWaalsContact C-N 3.34Å; Q125-M127 PolarHBondContact O-N 2.84Å
126K92.8Very high90.2Very high103 Ų10380.9 Ų80.945%0.44844%0.44SS..EExtended strand (participates in β ladder)trans-68.9130.2173.8-172.7168.2175163.50110D119 W121D119-K126 WeakPolarHBondContact OD1-CE 3.42Å; D119-K126 IonicContact OD1-NZ 2.69Å; D119-K126 PolarHBondContact OD1-NZ 2.92Å; D119-K126 WeakPolarHBondContact OD2-CE 3.14Å; D119-K126 IonicContact OD2-NZ 3.53Å; D119-K126 PolarHBondContact OD2-NZ 2.77Å; W121-K126 HydrophobicContact CD2-CB 4.25Å; W121-K126 HydrophobicContact CE3-CB 3.88Å; W121-K126 VanDerWaalsContact CE3-N 3.34Å; W121-K126 HydrophobicContact CH2-CB 3.81Å; W121-K126 HydrophobicContact CH2-CD 4.27Å; W121-K126 HydrophobicContact CH2-CG 4.41Å; W121-K126 HydrophobicContact CZ2-CB 4.18Å; W121-K126 HydrophobicContact CZ2-CD 4.12Å; W121-K126 HydrophobicContact CZ2-CG 4.34Å; W121-K126 HydrophobicContact CZ3-CB 3.65Å
127M95.6Very high90.5Very high35 Ų3574.8 Ų74.817%0.17241%0.413CS..PPolyproline II helixtrans-89.8149.1-178.5-55.1-53.3-72.900111.1V120 C122 Q125 T129 F142 S143 V144V120-M127 HydrophobicContact CB-CB 4.23Å; V120-M127 HydrophobicContact CB-CG 4.44Å; V120-M127 HydrophobicContact CG1-CB 4.29Å; V120-M127 HydrophobicContact CG1-CG 4.02Å; V120-M127 WeakPolarHBondContact O-CB 3.24Å; V120-M127 PolarHBondContact O-N 2.82Å; C122-M127 HydrophobicContact CB-CE 4.14Å; C122-M127 HydrophobicContact CB-CG 3.82Å; C122-M127 HydrophobicContact CB-SD 3.35Å; C122-M127 WeakPolarHBondContact CB-SD 3.29Å; Q125-M127 PolarHBondContact O-N 2.84Å; M127-T129 HydrophobicContact CB-CG2 4.37Å; M127-F142 HydrophobicContact CB-CB 4.3Å; M127-F142 HydrophobicContact CE-CD2 4.25Å; M127-F142 HydrophobicContact CG-CD2 4.35Å; M127-S143 WeakPolarHBondContact CE-O 3.36Å; M127-V144 HydrophobicContact CE-CG2 4.17Å
128E95.4Very high90.8Very high184 Ų18473.3 Ų73.386%0.8640%0.403SS*.PPolyproline II helixtrans-76.7130162.6-172.5175.6-175.400108.6F142E128-F142 WeakPolarHBondContact O-CB 3.28Å
129T95.7Very high91.1Very high60 Ų6071.4 Ų71.437%0.36839%0.394SS..  trans-128.5149.7-174.160.50000112V120 M127 T140 H141 F142V120-T129 HydrophobicContact CB-CG2 3.79Å; V120-T129 HydrophobicContact CG2-CG2 3.75Å; M127-T129 HydrophobicContact CB-CG2 4.37Å; T129-T140 HydrophobicContact CG2-CG2 3.92Å; T129-H141 CarbonylContact C-O 3.56Å; T129-H141 WeakPolarHBondContact CA-O 3.39Å; T129-F142 HydrophobicContact CG2-CB 4.24Å
130A93.9Very high91.3Very high60 Ų6070.5 Ų70.550%0.49639%0.39SS..EExtended strand (participates in β ladder)trans-124.5127.2170.200000109.8H141A130-H141 PolarHBondContact N-O 3.44Å; A130-H141 PolarHBondContact O-N 2.91Å
131G91.9Very high91.4Very high70 Ų7073 Ų7372%0.72240%0.401SS*.EExtended strand (participates in β ladder)trans-92.2133.5178.500000112.2E139G131-E139 CarbonylContact C-O 3.56Å; G131-E139 WeakPolarHBondContact CA-O 3.37Å
132E92.8Very high91.5Very high110 Ų11073.5 Ų73.551%0.51440%0.403SS..EExtended strand (participates in β ladder)trans-126138.4174.4-173.3166.7176.600110.4V134 T138 E139 H141E132-V134 HydrophobicContact CG-CG1 4.36Å; E132-T138 CarbonylContact O-C 3.5Å; E132-T138 VanDerWaalsContact O-CA 3.31Å; E132-T138 WeakPolarHBondContact O-CA 3.23Å; E132-E139 PolarHBondContact N-O 3.47Å; E132-E139 PolarHBondContact O-N 2.92Å; E132-H141 IonicContact OE2-NE2 3.95Å
133F88.1Confident91.5Very high180 Ų18076.7 Ų76.779%0.78943%0.426SS*.EExtended strand (participates in β ladder)trans-93.5126.2172.5-68.9-86.2000108.9T138F133-T138 HydrophobicContact CD1-CG2 3.52Å; F133-T138 HydrophobicContact CE1-CG2 3.66Å; F133-T138 HydrophobicContact CG-CG2 4.38Å
134V88Confident91.6Very high41 Ų4173.4 Ų73.425%0.24841%0.409CS..EExtended strand (participates in β ladder)trans-120.1165.3178.9-63.30000110E132 D136 G137 E139E132-V134 HydrophobicContact CG-CG1 4.36Å; V134-D136 WeakPolarHBondContact CG2-OD1 3.38Å; V134-D136 PolarHBondContact O-N 3.4Å; V134-G137 WeakPolarHBondContact CG2-O 3.47Å; V134-G137 PolarHBondContact N-O 2.88Å; V134-G137 PolarHBondContact O-N 3.01Å; V134-G137 VanDerWaalsContact O-N 3.16Å; V134-E139 HydrophobicContact CG1-CG 4.08Å; V134-E139 HydrophobicContact CG2-CG 3.98Å
135D81.6Confident91.7Very high183 Ų18375.9 Ų75.998%0.97943%0.434SS*.THydrogen-bonded Turntrans-56.4-29.1-173.1-72.8-18.7000113.9
136D82.9Confident91.8Very high83 Ų8376.9 Ų76.944%0.44444%0.444SS..THydrogen-bonded Turntrans-111.67.6-177.366.6-18.9000114.5V134 K152 V154V134-D136 WeakPolarHBondContact CG2-OD1 3.38Å; V134-D136 PolarHBondContact O-N 3.4Å; D136-K152 VanDerWaalsContact CG-CE 3.42Å; D136-K152 WeakPolarHBondContact OD1-CE 3.48Å; D136-K152 IonicContact OD1-NZ 3.74Å; D136-K152 PolarHBondContact OD1-NZ 3.49Å; D136-K152 WeakPolarHBondContact OD2-CE 3.4Å; D136-K152 IonicContact OD2-NZ 3.69Å; D136-K152 PolarHBondContact OD2-NZ 3.22Å; D136-V154 WeakPolarHBondContact O-CG1 3.49Å
137G86.5Confident91.8Very high22 Ų2273.2 Ų73.223%0.22743%0.429CS..EExtended strand (participates in β ladder)trans162.1-147.9-177.700000115.4V134 A153V134-G137 WeakPolarHBondContact CG2-O 3.47Å; V134-G137 PolarHBondContact N-O 2.88Å; V134-G137 PolarHBondContact O-N 3.01Å; V134-G137 VanDerWaalsContact O-N 3.16Å; G137-A153 WeakPolarHBondContact CA-O 3.4Å
138T91.8Very high91.8Very high44 Ų4473.7 Ų73.727%0.2744%0.443SS..EExtended strand (participates in β ladder)trans-127.6144.2172.958.90000110.7E132 F133 A153E132-T138 CarbonylContact O-C 3.5Å; E132-T138 VanDerWaalsContact O-CA 3.31Å; E132-T138 WeakPolarHBondContact O-CA 3.23Å; F133-T138 HydrophobicContact CD1-CG2 3.52Å; F133-T138 HydrophobicContact CE1-CG2 3.66Å; F133-T138 HydrophobicContact CG-CG2 4.38Å; T138-A153 PolarHBondContact N-O 3.43Å; T138-A153 PolarHBondContact O-N 2.8Å
139E94.6Very high91.8Very high25 Ų2565.1 Ų65.112%0.11740%0.403CS..EExtended strand (participates in β ladder)trans-112.8133.3174.7-63.6-173.1170.600109.1G131 E132 V134 H141 Y150 I151 K152G131-E139 CarbonylContact C-O 3.56Å; G131-E139 WeakPolarHBondContact CA-O 3.37Å; E132-E139 PolarHBondContact N-O 3.47Å; E132-E139 PolarHBondContact O-N 2.92Å; V134-E139 HydrophobicContact CG1-CG 4.08Å; V134-E139 HydrophobicContact CG2-CG 3.98Å; E139-H141 VanDerWaalsContact CB-NE2 3.33Å; E139-H141 WeakPolarHBondContact CB-NE2 3.27Å; E139-H141 IonicContact OE2-CE1 3.31Å; E139-H141 PolarHBondContact OE2-CE1 3.31Å; E139-H141 IonicContact OE2-NE2 3.95Å; E139-H141 PolarHBondContact OE2-NE2 3.19Å; E139-Y150 HydrophobicContact CB-CD2 4.05Å; E139-Y150 VanDerWaalsContact CD-CE2 3.45Å; E139-Y150 HydrophobicContact CG-CD2 3.9Å; E139-Y150 HydrophobicContact CG-CE2 4.12Å; E139-Y150 WeakPolarHBondContact OE1-CE2 3.36Å; E139-I151 CarbonylContact C-O 3.56Å; E139-I151 WeakPolarHBondContact CA-O 3.27Å; E139-K152 HydrophobicContact CG-CB 4.34Å; E139-K152 HydrophobicContact CG-CG 4.11Å; E139-K152 IonicContact OE1-NZ 2.64Å
140T95.8Very high91.8Very high12 Ų1264.3 Ų64.37%0.07439%0.394CS..EExtended strand (participates in β ladder)trans-112.5100175.1-55.50000107.9V120 T129 Y150 I151V120-T140 HydrophobicContact CG2-CG2 3.99Å; T129-T140 HydrophobicContact CG2-CG2 3.92Å; T140-Y150 CarbonylContact O-C 3.57Å; T140-Y150 WeakPolarHBondContact O-CA 3.42Å; T140-I151 PolarHBondContact N-O 2.85Å; T140-I151 PolarHBondContact O-N 2.91Å
141H96.6Very high92Very high54 Ų5461.5 Ų61.525%0.2537%0.37CS..EExtended strand (participates in β ladder)trans-84.2142.1-175.8-61.5-90.9000111.5T129 A130 E132 E139 C149 Y150T129-H141 CarbonylContact C-O 3.56Å; T129-H141 WeakPolarHBondContact CA-O 3.39Å; A130-H141 PolarHBondContact N-O 3.44Å; A130-H141 PolarHBondContact O-N 2.91Å; E132-H141 IonicContact OE2-NE2 3.95Å; E139-H141 VanDerWaalsContact CB-NE2 3.33Å; E139-H141 WeakPolarHBondContact CB-NE2 3.27Å; E139-H141 IonicContact OE2-CE1 3.31Å; E139-H141 PolarHBondContact OE2-CE1 3.31Å; E139-H141 IonicContact OE2-NE2 3.95Å; E139-H141 PolarHBondContact OE2-NE2 3.19Å; H141-C149 WeakPolarHBondContact CA-O 3.5Å; H141-Y150 AromaticContact CE1-CG 3.94Å; H141-Y150 WeakPolarHBondContact ND1-CB 3.38Å; H141-Y150 AromaticContact ND1-CG 3.99Å
142F96.4Very high92.1Very high14 Ų1460.1 Ų60.16%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-156.2169.4173.560.1-78.7000109.5V111 V120 M127 E128 T129 V144 C149 I151 L167V111-F142 HydrophobicContact CG1-CE2 4.44Å; V111-F142 HydrophobicContact CG1-CZ 3.99Å; V120-F142 HydrophobicContact CG1-CD1 4.09Å; V120-F142 HydrophobicContact CG1-CD2 4.3Å; V120-F142 HydrophobicContact CG1-CE1 3.97Å; V120-F142 HydrophobicContact CG1-CE2 4.16Å; V120-F142 HydrophobicContact CG1-CG 4.27Å; V120-F142 HydrophobicContact CG1-CZ 3.99Å; M127-F142 HydrophobicContact CB-CB 4.3Å; M127-F142 HydrophobicContact CE-CD2 4.25Å; M127-F142 HydrophobicContact CG-CD2 4.35Å; E128-F142 WeakPolarHBondContact O-CB 3.28Å; T129-F142 HydrophobicContact CG2-CB 4.24Å; F142-V144 HydrophobicContact CD2-CG2 4.02Å; F142-V144 HydrophobicContact CE2-CG2 3.87Å; F142-C149 HydrophobicContact CD1-CB 4.17Å; F142-C149 HydrophobicContact CD2-CB 3.79Å; F142-C149 HydrophobicContact CE1-CB 3.84Å; F142-C149 HydrophobicContact CE2-CB 3.45Å; F142-C149 VanDerWaalsContact CE2-CB 3.45Å; F142-C149 HydrophobicContact CG-CB 4.13Å; F142-C149 HydrophobicContact CZ-CB 3.48Å; F142-C149 VanDerWaalsContact CZ-CB 3.48Å; F142-C149 PolarHBondContact N-O 3.43Å; F142-C149 CarbonylContact O-C 3.5Å; F142-C149 WeakPolarHBondContact O-CA 3.49Å; F142-C149 WeakPolarHBondContact O-CB 3.48Å; F142-C149 PolarHBondContact O-N 3.41Å; F142-I151 HydrophobicContact CE1-CD1 3.88Å; F142-I151 HydrophobicContact CE1-CG1 3.97Å; F142-I151 HydrophobicContact CZ-CD1 4.39Å; F142-L167 HydrophobicContact CE1-CD1 4.16Å; F142-L167 HydrophobicContact CZ-CD1 3.67Å
143S94.8Very high92.1Very high77 Ų7755.2 Ų55.254%0.53832%0.322SS..EExtended strand (participates in β ladder)trans-120.4146.1177.7550000111.7M127 H147M127-S143 WeakPolarHBondContact CE-O 3.36Å; S143-H147 WeakPolarHBondContact CA-O 3.21Å
144V92.3Very high92Very high21 Ų2148.8 Ų48.813%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-128.3107.5171.3-179.90000107.3L104 L109 M127 F142 N146 H147L104-V144 HydrophobicContact CD2-CB 4.34Å; L104-V144 HydrophobicContact CD2-CG1 4.18Å; L109-V144 HydrophobicContact CD1-CG1 3.77Å; L109-V144 HydrophobicContact CD2-CG1 4.04Å; L109-V144 HydrophobicContact CD2-CG2 4.24Å; M127-V144 HydrophobicContact CE-CG2 4.17Å; F142-V144 HydrophobicContact CD2-CG2 4.02Å; F142-V144 HydrophobicContact CE2-CG2 3.87Å; V144-N146 PolarHBondContact O-N 2.89Å; V144-H147 PolarHBondContact N-O 3.39Å; V144-H147 VanDerWaalsContact N-O 3.15Å; V144-H147 WeakPolarHBondContact O-CB 3.11Å; V144-H147 PolarHBondContact O-CD2 3.46Å; V144-H147 PolarHBondContact O-N 2.86Å
145G88.9Confident91.7Very high73 Ų7351 Ų5175%0.75332%0.315SS*.THydrogen-bonded Turntrans59.3-120.6-170.400000111.2
146N91Very high91.2Very high164 Ų16443.5 Ų43.588%0.87728%0.277SS*.THydrogen-bonded Turntrans-95.75.4177.2-64.7-38.3000113.7V144V144-N146 PolarHBondContact O-N 2.89Å
147H93.8Very high90.4Very high26 Ų2643 Ų4312%0.1229%0.292CS..EExtended strand (participates in β ladder)trans-95.2136.2-175.5-59.3-80.4000111.8L104 D105 S143 V144 V169 D170L104-H147 HydrophobicContact CD2-CB 4.02Å; D105-H147 IonicContact OD1-CE1 2.7Å; D105-H147 IonicContact OD1-NE2 3.77Å; D105-H147 PolarHBondContact OD1-NE2 3.06Å; D105-H147 IonicContact OD2-CD2 3.07Å; D105-H147 IonicContact OD2-CE1 3.45Å; D105-H147 IonicContact OD2-NE2 3.11Å; D105-H147 PolarHBondContact OD2-NE2 3.27Å; S143-H147 WeakPolarHBondContact CA-O 3.21Å; V144-H147 PolarHBondContact N-O 3.39Å; V144-H147 VanDerWaalsContact N-O 3.15Å; V144-H147 WeakPolarHBondContact O-CB 3.11Å; V144-H147 PolarHBondContact O-CD2 3.46Å; V144-H147 PolarHBondContact O-N 2.86Å; H147-V169 HydrophobicContact CB-CG1 4.3Å; H147-D170 IonicContact CE1-OD2 3.54Å; H147-D170 IonicContact CG-OD2 3.01Å; H147-D170 IonicContact ND1-OD1 3.89Å; H147-D170 IonicContact ND1-OD2 3.19Å; H147-D170 PolarHBondContact ND1-OD2 2.87Å
148G94.6Very high89.5Confident45 Ų4547.7 Ų47.746%0.46431%0.306SS..EExtended strand (participates in β ladder)trans-84.9120.3171.100000109.6D170G148-D170 PolarHBondContact N-OD1 2.97Å; G148-D170 PolarHBondContact O-N 3.17Å
149C96.4Very high87.8Confident4 Ų458.1 Ų58.13%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-120.1149.7-179.8-56.80000110.1H141 F142 I168H141-C149 WeakPolarHBondContact CA-O 3.5Å; F142-C149 HydrophobicContact CD1-CB 4.17Å; F142-C149 HydrophobicContact CD2-CB 3.79Å; F142-C149 HydrophobicContact CE1-CB 3.84Å; F142-C149 HydrophobicContact CE2-CB 3.45Å; F142-C149 VanDerWaalsContact CE2-CB 3.45Å; F142-C149 HydrophobicContact CG-CB 4.13Å; F142-C149 HydrophobicContact CZ-CB 3.48Å; F142-C149 VanDerWaalsContact CZ-CB 3.48Å; F142-C149 PolarHBondContact N-O 3.43Å; F142-C149 CarbonylContact O-C 3.5Å; F142-C149 WeakPolarHBondContact O-CA 3.49Å; F142-C149 WeakPolarHBondContact O-CB 3.48Å; F142-C149 PolarHBondContact O-N 3.41Å; C149-I168 CarbonylContact C-O 3.58Å; C149-I168 WeakPolarHBondContact CA-O 3.41Å
150Y96.4Very high86Confident43 Ų4367 Ų6717%0.16938%0.378CS..EExtended strand (participates in β ladder)trans-151.6149.5165.662.9-79.5000111.5E139 T140 H141 K152 I168E139-Y150 HydrophobicContact CB-CD2 4.05Å; E139-Y150 VanDerWaalsContact CD-CE2 3.45Å; E139-Y150 HydrophobicContact CG-CD2 3.9Å; E139-Y150 HydrophobicContact CG-CE2 4.12Å; E139-Y150 WeakPolarHBondContact OE1-CE2 3.36Å; T140-Y150 CarbonylContact O-C 3.57Å; T140-Y150 WeakPolarHBondContact O-CA 3.42Å; H141-Y150 AromaticContact CE1-CG 3.94Å; H141-Y150 WeakPolarHBondContact ND1-CB 3.38Å; H141-Y150 AromaticContact ND1-CG 3.99Å; Y150-K152 HydrophobicContact CD2-CB 4.34Å; Y150-K152 HydrophobicContact CE2-CB 4.28Å; Y150-I168 HydrophobicContact CD1-CB 4.01Å; Y150-I168 HydrophobicContact CD1-CG2 4.08Å; Y150-I168 HydrophobicContact CD2-CB 4.31Å; Y150-I168 HydrophobicContact CD2-CD1 4.02Å; Y150-I168 HydrophobicContact CE1-CB 3.67Å; Y150-I168 HydrophobicContact CE1-CD1 4.35Å; Y150-I168 HydrophobicContact CE1-CG2 3.33Å; Y150-I168 HydrophobicContact CE2-CB 4.02Å; Y150-I168 HydrophobicContact CE2-CD1 3.26Å; Y150-I168 HydrophobicContact CE2-CG1 4.2Å; Y150-I168 HydrophobicContact CE2-CG2 4.34Å; Y150-I168 HydrophobicContact CG-CB 4.32Å; Y150-I168 VanDerWaalsContact CZ-CD1 3.45Å; Y150-I168 PolarHBondContact N-O 3.02Å; Y150-I168 PolarHBondContact O-N 3.04Å
151I96.5Very high84.3Confident1 Ų171.7 Ų71.71%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-101.7119169.7-67152.5000108.1W100 V111 L113 V120 E139 T140 F142 H165 T166 L167W100-I151 HydrophobicContact CH2-CD1 4.23Å; W100-I151 HydrophobicContact CH2-CG1 4.1Å; W100-I151 HydrophobicContact CH2-CG2 3.95Å; W100-I151 HydrophobicContact CZ3-CD1 3.91Å; W100-I151 HydrophobicContact CZ3-CG1 4.15Å; V111-I151 HydrophobicContact CG1-CD1 4.37Å; L113-I151 HydrophobicContact CB-CD1 4.13Å; L113-I151 HydrophobicContact CD1-CD1 4.45Å; L113-I151 HydrophobicContact CD2-CG2 4.04Å; V120-I151 HydrophobicContact CG1-CD1 4.14Å; V120-I151 HydrophobicContact CG2-CD1 3.77Å; E139-I151 CarbonylContact C-O 3.56Å; E139-I151 WeakPolarHBondContact CA-O 3.27Å; T140-I151 PolarHBondContact N-O 2.85Å; T140-I151 PolarHBondContact O-N 2.91Å; F142-I151 HydrophobicContact CE1-CD1 3.88Å; F142-I151 HydrophobicContact CE1-CG1 3.97Å; F142-I151 HydrophobicContact CZ-CD1 4.39Å; I151-H165 HydrophobicContact CG2-CB 4.1Å; I151-T166 CarbonylContact C-O 3.58Å; I151-T166 WeakPolarHBondContact CA-O 3.4Å; I151-L167 HydrophobicContact CG1-CB 4.47Å; I151-L167 HydrophobicContact CG1-CD1 3.87Å
152K94.3Very high83.3Confident40 Ų4070.9 Ų70.917%0.17441%0.406CS..EExtended strand (participates in β ladder)trans-92.3127.2175.3-171.5170.4-178.5155.40109.8D136 E139 Y150 V154 H165 T166 I168D136-K152 VanDerWaalsContact CG-CE 3.42Å; D136-K152 WeakPolarHBondContact OD1-CE 3.48Å; D136-K152 IonicContact OD1-NZ 3.74Å; D136-K152 PolarHBondContact OD1-NZ 3.49Å; D136-K152 WeakPolarHBondContact OD2-CE 3.4Å; D136-K152 IonicContact OD2-NZ 3.69Å; D136-K152 PolarHBondContact OD2-NZ 3.22Å; E139-K152 HydrophobicContact CG-CB 4.34Å; E139-K152 HydrophobicContact CG-CG 4.11Å; E139-K152 IonicContact OE1-NZ 2.64Å; Y150-K152 HydrophobicContact CD2-CB 4.34Å; Y150-K152 HydrophobicContact CE2-CB 4.28Å; K152-V154 HydrophobicContact CD-CG2 4.18Å; K152-V154 HydrophobicContact CG-CG2 3.91Å; K152-H165 CarbonylContact O-C 3.57Å; K152-H165 WeakPolarHBondContact O-CA 3.18Å; K152-T166 PolarHBondContact N-O 3.23Å; K152-T166 PolarHBondContact O-N 3.14Å; K152-I168 HydrophobicContact CB-CD1 3.93Å; K152-I168 HydrophobicContact CD-CD1 4.38Å
153A92.3Very high82.7Confident7 Ų775.2 Ų75.26%0.05843%0.429CS..EExtended strand (participates in β ladder)trans-112.3111.6178.300000109.5G137 T138 I163 I164G137-A153 WeakPolarHBondContact CA-O 3.4Å; T138-A153 PolarHBondContact N-O 3.43Å; T138-A153 PolarHBondContact O-N 2.8Å; A153-I163 HydrophobicContact CB-CG2 3.83Å; A153-I164 CarbonylContact C-O 3.59Å; A153-I164 WeakPolarHBondContact CA-O 3.41Å
154V87.9Confident82.4Confident46 Ų4675.5 Ų75.528%0.27942%0.423SS..EExtended strand (participates in β ladder)trans-116.6137-177.7-178.90000109.6D136 K152 S156 I164D136-V154 WeakPolarHBondContact O-CG1 3.49Å; K152-V154 HydrophobicContact CD-CG2 4.18Å; K152-V154 HydrophobicContact CG-CG2 3.91Å; V154-S156 PolarHBondContact O-N 2.92Å; V154-I164 PolarHBondContact N-O 2.88Å; V154-I164 PolarHBondContact O-N 3.24Å
155S80.3Confident82.3Confident87 Ų8775.8 Ų75.861%0.60842%0.423SS*.EExtended strand (participates in β ladder)trans-67123.5170.5-179.50000109.5G157S155-G157 PolarHBondContact O-N 3.09Å; S155-G157 PolarHBondContact OG-N 2.8Å
156S72.3Confident82.6Confident26 Ų2673.5 Ų73.518%0.18240%0.395CS..  trans-63.7-9176.660.90000114V154 K158 E161 G162V154-S156 PolarHBondContact O-N 2.92Å; S156-K158 PolarHBondContact O-N 2.95Å; S156-K158 PolarHBondContact OG-N 3.14Å; S156-K158 PolarHBondContact OG-O 3.22Å; S156-E161 WeakPolarHBondContact OG-CB 3.34Å; S156-G162 WeakPolarHBondContact CB-O 3.3Å; S156-G162 PolarHBondContact N-O 2.77Å; S156-G162 PolarHBondContact OG-N 2.96Å; S156-G162 PolarHBondContact OG-O 3.41Å
157G66.1Low82.8Confident72 Ų7265.7 Ų65.774%0.74235%0.353SS*.SBendtrans67.8-12.3-172.800000114.1S155S155-G157 PolarHBondContact O-N 3.09Å; S155-G157 PolarHBondContact OG-N 2.8Å
158K66.2Low82.9Confident121 Ų12165.2 Ų65.253%0.52635%0.351SS..SBendtrans-102.3122.2176.6-58.9-163.1-150.4115.10110.4S156 K160 E161 G162S156-K158 PolarHBondContact O-N 2.95Å; S156-K158 PolarHBondContact OG-N 3.14Å; S156-K158 PolarHBondContact OG-O 3.22Å; K158-K160 PolarHBondContact O-N 2.83Å; K158-E161 HydrophobicContact CB-CB 4.29Å; K158-E161 HydrophobicContact CB-CG 4.47Å; K158-E161 IonicContact NZ-OE1 2.82Å; K158-E161 PolarHBondContact NZ-OE1 3.28Å; K158-E161 IonicContact NZ-OE2 2.77Å; K158-E161 PolarHBondContact NZ-OE2 3.07Å; K158-E161 PolarHBondContact O-N 3.27Å; K158-G162 PolarHBondContact O-N 2.79Å
159R56.8Low83Confident262 Ų26263.5 Ų63.599%0.98933%0.331SS*.THydrogen-bonded Turntrans-54.5-22.3-177.8-152.6176.9-173.9178.22.2114.8
160K56.4Low82.8Confident212 Ų21267.1 Ų67.192%0.92235%0.351SS*.THydrogen-bonded Turntrans-91.8-25.7178.7-77.8-173.2176.6-178.90114.8K158K158-K160 PolarHBondContact O-N 2.83Å
161E61.1Low82.6Confident111 Ų11171.7 Ų71.752%0.51938%0.378SS..THydrogen-bonded Turntrans-90.8-23.8-174.3-76169-168.900111.9S156 K158S156-E161 WeakPolarHBondContact OG-CB 3.34Å; K158-E161 HydrophobicContact CB-CB 4.29Å; K158-E161 HydrophobicContact CB-CG 4.47Å; K158-E161 IonicContact NZ-OE1 2.82Å; K158-E161 PolarHBondContact NZ-OE1 3.28Å; K158-E161 IonicContact NZ-OE2 2.77Å; K158-E161 PolarHBondContact NZ-OE2 3.07Å; K158-E161 PolarHBondContact O-N 3.27Å
162G75.2Confident82.3Confident37 Ų3780.9 Ų80.938%0.38141%0.412SS..  trans74.1-147.7172.800000113.1S156 K158S156-G162 WeakPolarHBondContact CB-O 3.3Å; S156-G162 PolarHBondContact N-O 2.77Å; S156-G162 PolarHBondContact OG-N 2.96Å; S156-G162 PolarHBondContact OG-O 3.41Å; K158-G162 PolarHBondContact O-N 2.79Å
163I83.5Confident82.3Confident105 Ų10585.9 Ų85.954%0.53844%0.437SS..EExtended strand (participates in β ladder)trans-90.2124.4178.4-59174.1000108.9A153 H165A153-I163 HydrophobicContact CB-CG2 3.83Å; I163-H165 PolarHBondContact O-ND1 3.41Å
164I87.3Confident82.2Confident83 Ų8390.2 Ų90.243%0.42646%0.458SS..EExtended strand (participates in β ladder)trans-89.4130.9174.2-59.7173.6000107.4A153 V154A153-I164 CarbonylContact C-O 3.59Å; A153-I164 WeakPolarHBondContact CA-O 3.41Å; V154-I164 PolarHBondContact N-O 2.88Å; V154-I164 PolarHBondContact O-N 3.24Å
165H91.7Very high81.9Confident26 Ų2692.4 Ų92.412%0.1247%0.466CS..EExtended strand (participates in β ladder)trans-111.9131.5176.4-58.379.1000108.2W100 L113 I151 K152 I163W100-H165 HydrophobicContact CH2-CB 4.04Å; W100-H165 HydrophobicContact CZ2-CB 4.08Å; W100-H165 WeakPolarHBondContact CZ2-O 3.35Å; L113-H165 HydrophobicContact CD2-CB 4.25Å; L113-H165 WeakPolarHBondContact CD2-CD2 3.37Å; I151-H165 HydrophobicContact CG2-CB 4.1Å; K152-H165 CarbonylContact O-C 3.57Å; K152-H165 WeakPolarHBondContact O-CA 3.18Å; I163-H165 PolarHBondContact O-ND1 3.41Å
166T93.6Very high82Confident26 Ų2692.7 Ų92.716%0.1646%0.459CS..EExtended strand (participates in β ladder)trans-128.3127.5-178.6-61.30000108.6I151 K152 I168 E173I151-T166 CarbonylContact C-O 3.58Å; I151-T166 WeakPolarHBondContact CA-O 3.4Å; K152-T166 PolarHBondContact N-O 3.23Å; K152-T166 PolarHBondContact O-N 3.14Å; T166-I168 HydrophobicContact CG2-CG1 4.29Å; T166-E173 HydrophobicContact CG2-CB 4.3Å; T166-E173 HydrophobicContact CG2-CG 3.4Å; T166-E173 VanDerWaalsContact CG2-OE1 3.27Å; T166-E173 WeakPolarHBondContact CG2-OE1 3.27Å
167L95.9Very high82.6Confident0 Ų096.4 Ų96.40%047%0.474CS..EExtended strand (participates in β ladder)trans-85.6132.9173.9173.165.1000109.3W100 L102 V111 F142 I151 V169 I174W100-L167 HydrophobicContact CB-CB 4.46Å; W100-L167 HydrophobicContact CB-CD2 3.62Å; W100-L167 HydrophobicContact CD2-CB 3.58Å; W100-L167 HydrophobicContact CD2-CD2 4.15Å; W100-L167 HydrophobicContact CD2-CG 4.48Å; W100-L167 HydrophobicContact CE3-CB 4.13Å; W100-L167 HydrophobicContact CE3-CD2 4.43Å; W100-L167 HydrophobicContact CG-CB 3.71Å; W100-L167 HydrophobicContact CG-CD2 3.8Å; W100-L167 HydrophobicContact CG-CG 4.42Å; W100-L167 HydrophobicContact CZ2-CB 4.13Å; L102-L167 HydrophobicContact CD2-CD2 3.94Å; V111-L167 HydrophobicContact CB-CD2 4.05Å; V111-L167 HydrophobicContact CG1-CD1 4.45Å; V111-L167 HydrophobicContact CG1-CD2 4.36Å; V111-L167 HydrophobicContact CG2-CD2 4.03Å; F142-L167 HydrophobicContact CE1-CD1 4.16Å; F142-L167 HydrophobicContact CZ-CD1 3.67Å; I151-L167 HydrophobicContact CG1-CB 4.47Å; I151-L167 HydrophobicContact CG1-CD1 3.87Å; L167-V169 HydrophobicContact CD1-CG2 4.26Å; L167-V169 HydrophobicContact CD2-CG2 4.31Å; L167-V169 HydrophobicContact CG-CG2 4.09Å; L167-I174 HydrophobicContact CB-CB 4.27Å; L167-I174 HydrophobicContact CD2-CB 4.26Å; L167-I174 HydrophobicContact CD2-CG1 4.14Å; L167-I174 HydrophobicContact CD2-CG2 4.43Å; L167-I174 HydrophobicContact CG-CB 4.3Å; L167-I174 HydrophobicContact CG-CG1 4.09Å; L167-I174 PolarHBondContact O-N 3.24Å
168I96.3Very high83.5Confident15 Ų1597.8 Ų97.88%0.07746%0.459CS..EExtended strand (participates in β ladder)trans-124.5129.9177.1-61.2158.5000108.2C149 Y150 K152 T166 R172C149-I168 CarbonylContact C-O 3.58Å; C149-I168 WeakPolarHBondContact CA-O 3.41Å; Y150-I168 HydrophobicContact CD1-CB 4.01Å; Y150-I168 HydrophobicContact CD1-CG2 4.08Å; Y150-I168 HydrophobicContact CD2-CB 4.31Å; Y150-I168 HydrophobicContact CD2-CD1 4.02Å; Y150-I168 HydrophobicContact CE1-CB 3.67Å; Y150-I168 HydrophobicContact CE1-CD1 4.35Å; Y150-I168 HydrophobicContact CE1-CG2 3.33Å; Y150-I168 HydrophobicContact CE2-CB 4.02Å; Y150-I168 HydrophobicContact CE2-CD1 3.26Å; Y150-I168 HydrophobicContact CE2-CG1 4.2Å; Y150-I168 HydrophobicContact CE2-CG2 4.34Å; Y150-I168 HydrophobicContact CG-CB 4.32Å; Y150-I168 VanDerWaalsContact CZ-CD1 3.45Å; Y150-I168 PolarHBondContact N-O 3.02Å; Y150-I168 PolarHBondContact O-N 3.04Å; K152-I168 HydrophobicContact CB-CD1 3.93Å; K152-I168 HydrophobicContact CD-CD1 4.38Å; T166-I168 HydrophobicContact CG2-CG1 4.29Å; I168-R172 CarbonylContact C-O 3.53Å; I168-R172 VanDerWaalsContact CA-O 3.31Å; I168-R172 WeakPolarHBondContact CA-O 3.17Å
169V95.6Very high84.6Confident9 Ų996.4 Ų96.46%0.05545%0.454CS..EExtended strand (participates in β ladder)trans-128.8123.5179.4-177.40000108.2L102 L104 H147 L167 N171 R172 I174L102-V169 HydrophobicContact CD1-CG2 3.88Å; L104-V169 HydrophobicContact CD1-CG1 3.94Å; L104-V169 HydrophobicContact CD2-CG1 4.16Å; H147-V169 HydrophobicContact CB-CG1 4.3Å; L167-V169 HydrophobicContact CD1-CG2 4.26Å; L167-V169 HydrophobicContact CD2-CG2 4.31Å; L167-V169 HydrophobicContact CG-CG2 4.09Å; V169-N171 PolarHBondContact O-N 3.01Å; V169-R172 PolarHBondContact N-O 3.2Å; V169-R172 WeakPolarHBondContact O-CB 3.37Å; V169-R172 PolarHBondContact O-N 2.89Å; V169-I174 HydrophobicContact CB-CD1 4.49Å; V169-I174 HydrophobicContact CG2-CD1 4.39Å; V169-I174 HydrophobicContact CG2-CG1 4Å
170D93.2Very high86.5Confident81 Ų8185.3 Ų85.343%0.43342%0.419SS..THydrogen-bonded Turntrans4745.6-175.5-61.5-24.4000113.2H147 G148 R172H147-D170 IonicContact CE1-OD2 3.54Å; H147-D170 IonicContact CG-OD2 3.01Å; H147-D170 IonicContact ND1-OD1 3.89Å; H147-D170 IonicContact ND1-OD2 3.19Å; H147-D170 PolarHBondContact ND1-OD2 2.87Å; G148-D170 PolarHBondContact N-OD1 2.97Å; G148-D170 PolarHBondContact O-N 3.17Å; D170-R172 PolarHBondContact O-N 2.79Å
171N91.3Very high88.6Confident139 Ų13976.3 Ų76.374%0.74338%0.383SS*.THydrogen-bonded Turntrans62.123.8-177.1-56.8-26.9000115V169V169-N171 PolarHBondContact O-N 3.01Å
172R91.8Very high90.7Very high193 Ų19373.6 Ų73.673%0.72837%0.372SS*.EExtended strand (participates in β ladder)trans-118.6128.4172.3-62.7-177.8179178.21.4111I168 V169 D170I168-R172 CarbonylContact C-O 3.53Å; I168-R172 VanDerWaalsContact CA-O 3.31Å; I168-R172 WeakPolarHBondContact CA-O 3.17Å; V169-R172 PolarHBondContact N-O 3.2Å; V169-R172 WeakPolarHBondContact O-CB 3.37Å; V169-R172 PolarHBondContact O-N 2.89Å; D170-R172 PolarHBondContact O-N 2.79Å
173E93.4Very high92Very high146 Ų14676.7 Ų76.768%0.68237%0.372SS*.EExtended strand (participates in β ladder)trans-69141.9173.5174.1165.2-179.900111.4T166T166-E173 HydrophobicContact CG2-CB 4.3Å; T166-E173 HydrophobicContact CG2-CG 3.4Å; T166-E173 VanDerWaalsContact CG2-OE1 3.27Å; T166-E173 WeakPolarHBondContact CG2-OE1 3.27Å
174I90.8Very high92.8Very high97 Ų9774.1 Ų74.150%0.49736%0.356SS..  trans-1110-179.6-53.7-62.4000111W100 L102 L167 V169W100-I174 HydrophobicContact CB-CG2 4.35Å; L102-I174 HydrophobicContact CB-CG2 4.07Å; L102-I174 HydrophobicContact CD1-CD1 3.89Å; L102-I174 HydrophobicContact CD1-CG1 4.11Å; L167-I174 HydrophobicContact CB-CB 4.27Å; L167-I174 HydrophobicContact CD2-CB 4.26Å; L167-I174 HydrophobicContact CD2-CG1 4.14Å; L167-I174 HydrophobicContact CD2-CG2 4.43Å; L167-I174 HydrophobicContact CG-CB 4.3Å; L167-I174 HydrophobicContact CG-CG1 4.09Å; L167-I174 PolarHBondContact O-N 3.24Å; V169-I174 HydrophobicContact CB-CD1 4.49Å; V169-I174 HydrophobicContact CG2-CD1 4.39Å; V169-I174 HydrophobicContact CG2-CG1 4Å

Retrieved 174 of 174 residues in 375.5 ms (Link to these results)

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