A0A068LKS1_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKS1, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 116 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
1Q72.6Confident88.8Confident202 Ų20277.3 Ų77.394%0.94441%0.413SS*.  0132.30-176.2174.65.400107
2V83.9Confident89.4Confident27 Ų2771.9 Ų71.916%0.16438%0.384CS..  trans-70.3135.6-179.2-173.90000109.5V24 Y25 Y105V2-V24 HydrophobicContact CG1-CG1 3.98Å; V2-Y25 CarbonylContact C-O 3.56Å; V2-Y25 WeakPolarHBondContact CA-O 3.46Å; V2-Y105 HydrophobicContact CB-CD1 3.88Å; V2-Y105 HydrophobicContact CB-CD2 4.31Å; V2-Y105 HydrophobicContact CB-CE1 3.69Å; V2-Y105 HydrophobicContact CB-CE2 4.14Å; V2-Y105 HydrophobicContact CB-CG 4.2Å; V2-Y105 HydrophobicContact CG1-CD1 4.36Å; V2-Y105 HydrophobicContact CG1-CD2 4.17Å; V2-Y105 HydrophobicContact CG1-CE2 4.34Å; V2-Y105 HydrophobicContact CG1-CG 4.19Å; V2-Y105 HydrophobicContact CG2-CE1 4.01Å; V2-Y105 HydrophobicContact CG2-CE2 4.07Å
3Q89.9Confident90Very high125 Ų12576.7 Ų76.758%0.58440%0.399SS*.EExtended strand (participates in β ladder)trans-129.8140.1178.3-67.5-174.3-12.100110.9Y25Q3-Y25 PolarHBondContact N-O 2.75Å; Q3-Y25 PolarHBondContact O-N 2.75Å
4L93.1Very high90.5Very high16 Ų1675.4 Ų75.48%0.08440%0.398CS..EExtended strand (participates in β ladder)trans-111.4118175.5-58.8-174.9000109.6G23 V24 W34 C95L4-G23 WeakPolarHBondContact CA-O 3.38Å; L4-V24 HydrophobicContact CD2-CB 4.18Å; L4-V24 HydrophobicContact CD2-CG1 4.1Å; L4-V24 HydrophobicContact CD2-CG2 3.7Å; L4-W34 HydrophobicContact CD1-CZ3 4.22Å; L4-W34 HydrophobicContact CD2-CE3 4.43Å; L4-W34 HydrophobicContact CD2-CH2 4.19Å; L4-W34 HydrophobicContact CD2-CZ3 3.63Å; L4-C95 WeakPolarHBondContact CD1-O 3.33Å
5Q94.4Very high90.9Very high119 Ų11976.9 Ų76.956%0.55642%0.417SS*.EExtended strand (participates in β ladder)trans-112.5129.4177.1-169174.33.200109.6W7 C22 G23 Y25Q5-W7 HydrophobicContact CB-CZ3 4.45Å; Q5-W7 HydrophobicContact CG-CE3 4.46Å; Q5-W7 WeakPolarHBondContact O-CZ3 3.35Å; Q5-C22 CarbonylContact O-C 3.53Å; Q5-C22 WeakPolarHBondContact O-CA 3.26Å; Q5-G23 PolarHBondContact N-O 3.03Å; Q5-G23 PolarHBondContact O-N 3.29Å; Q5-Y25 HydrophobicContact CB-CD2 4.32Å; Q5-Y25 HydrophobicContact CB-CE2 3.9Å
6Q94.9Very high91.3Very high31 Ų3177.1 Ų77.115%0.14542%0.415CS..EExtended strand (participates in β ladder)trans-111.7147179.8-69.8176.2-65.700111.7T21 C22 Y93 C95 S107 G109Q6-T21 VanDerWaalsContact CA-O 3.3Å; Q6-T21 WeakPolarHBondContact CA-O 3.27Å; Q6-C22 HydrophobicContact CG-CB 4.15Å; Q6-Y93 PolarHBondContact NE2-O 3.21Å; Q6-Y93 VanDerWaalsContact NE2-O 3.17Å; Q6-Y93 PolarHBondContact OE1-O 3.39Å; Q6-C95 HydrophobicContact CG-CB 4.12Å; Q6-C95 WeakPolarHBondContact CG-SG 3.38Å; Q6-S107 VanDerWaalsContact CD-CB 3.46Å; Q6-S107 PolarHBondContact OE1-OG 2.9Å; Q6-G109 VanDerWaalsContact OE1-CA 3.24Å
7W95.9Very high91.6Very high96 Ų9676.5 Ų76.536%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-150.5160.2170.960.395000110.9Q5 T21 Q77Q5-W7 HydrophobicContact CB-CZ3 4.45Å; Q5-W7 HydrophobicContact CG-CE3 4.46Å; Q5-W7 WeakPolarHBondContact O-CZ3 3.35Å; W7-T21 HydrophobicContact CH2-CG2 3.94Å; W7-T21 HydrophobicContact CZ2-CG2 3.32Å; W7-T21 PolarHBondContact N-O 3.3Å; W7-T21 PolarHBondContact O-N 3.34Å; W7-Q77 HydrophobicContact CH2-CG 4Å; W7-Q77 HydrophobicContact CZ2-CG 4.32Å
8G93.2Very high91.9Very high41 Ų4172.2 Ų72.242%0.42339%0.391SS..EExtended strand (participates in β ladder)trans151.1-166.5-17900000112.8S19G8-S19 WeakPolarHBondContact CA-O 3.47Å
9A82.1Confident92.2Very high35 Ų3571.3 Ų71.329%0.28939%0.391SS..  trans-71.7132.3-177.400000112.2L12 L18 S19A9-L12 HydrophobicContact CB-CD2 3.9Å; A9-L12 HydrophobicContact CB-CG 4.28Å; A9-L18 HydrophobicContact CB-CD1 4.39Å; A9-S19 PolarHBondContact N-O 2.97Å
10G82.6Confident92.5Very high32 Ų3267.8 Ų67.833%0.3337%0.371SS..SBendtrans-104.3-22.5179.100000115.3V112 T113G10-V112 WeakPolarHBondContact O-CA 3.17Å; G10-T113 PolarHBondContact O-N 3.12Å
11L94.3Very high92.8Very high126 Ų12666 Ų6666%0.6636%0.363SS*.EExtended strand (participates in β ladder)trans-134.6128.8176.9-179.265.4000109.4T113L11-T113 CarbonylContact C-O 3.59Å; L11-T113 WeakPolarHBondContact CA-O 3.15Å; L11-T113 HydrophobicContact CD1-CG2 3.99Å
12L96.1Very high93.9Very high13 Ų1356.4 Ų56.47%0.06832%0.318CS..EExtended strand (participates in β ladder)trans-135.9158.3-176.5-65.9169000110.8A9 E16 L18 V85 V112 T113 V114 S115A9-L12 HydrophobicContact CB-CD2 3.9Å; A9-L12 HydrophobicContact CB-CG 4.28Å; L12-E16 VanDerWaalsContact CA-OE2 3.31Å; L12-E16 WeakPolarHBondContact CA-OE2 3.14Å; L12-E16 HydrophobicContact CD2-CB 4.26Å; L12-E16 WeakPolarHBondContact CD2-OE2 3.29Å; L12-L18 HydrophobicContact CD1-CB 3.56Å; L12-L18 HydrophobicContact CD1-CD1 3.81Å; L12-L18 HydrophobicContact CD1-CG 4.28Å; L12-V85 HydrophobicContact CB-CG2 4.2Å; L12-V85 HydrophobicContact CD1-CG2 4.27Å; L12-V112 HydrophobicContact CD1-CG1 4.15Å; L12-T113 PolarHBondContact N-O 2.76Å; L12-V114 HydrophobicContact CB-CG2 4.42Å; L12-V114 CarbonylContact O-C 3.5Å; L12-V114 VanDerWaalsContact O-CA 3.3Å; L12-V114 WeakPolarHBondContact O-CA 3.2Å; L12-S115 PolarHBondContact O-N 2.6Å; L12-S115 PolarHBondContact O-OG 3.49Å
13K96.8Very high94.5Very high134 Ų13455.1 Ų55.158%0.58331%0.31SS*.  trans-96.4160.6168.2-65.6178.3-177.9175.40110.8E16 V85K13-E16 HydrophobicContact CB-CG 4.14Å; K13-E16 PolarHBondContact N-OE2 3.35Å; K13-E16 WeakPolarHBondContact O-CB 3.41Å; K13-E16 PolarHBondContact O-N 3.04Å; K13-V85 WeakPolarHBondContact O-CG2 3.28Å
14P97.1Very high94.6Very high59 Ų5949.5 Ų49.538%0.38328%0.284SS..THydrogen-bonded Turntrans-58.1146.3175.2-23.536000111.3E16 V85 V114 S115P14-E16 PolarHBondContact O-N 2.79Å; P14-V85 CarbonylContact C-O 3.6Å; P14-V85 WeakPolarHBondContact CA-O 3.37Å; P14-V114 HydrophobicContact CG-CG1 4.43Å; P14-S115 WeakPolarHBondContact CD-O 3.45Å; P14-S115 WeakPolarHBondContact CG-O 3.4Å
15S96.3Very high94.5Very high97 Ų9753.6 Ų53.668%0.67830%0.299SS*.THydrogen-bonded Turntrans72.6-6.4-176.4-45.50000116.2V85S15-V85 PolarHBondContact N-O 3Å
16E97Very high94.1Very high81 Ų8151.1 Ų51.138%0.37931%0.306SS..  trans-70.3173.6172.1-66.7-174152.500111.7L12 K13 P14 S84 V85L12-E16 VanDerWaalsContact CA-OE2 3.31Å; L12-E16 WeakPolarHBondContact CA-OE2 3.14Å; L12-E16 HydrophobicContact CD2-CB 4.26Å; L12-E16 WeakPolarHBondContact CD2-OE2 3.29Å; K13-E16 HydrophobicContact CB-CG 4.14Å; K13-E16 PolarHBondContact N-OE2 3.35Å; K13-E16 WeakPolarHBondContact O-CB 3.41Å; K13-E16 PolarHBondContact O-N 3.04Å; P14-E16 PolarHBondContact O-N 2.79Å; E16-S84 PolarHBondContact O-N 3.24Å; E16-V85 HydrophobicContact CB-CG2 4.39Å; E16-V85 WeakPolarHBondContact O-CG2 3.38Å; E16-V85 PolarHBondContact O-N 3.44Å
17T97.2Very high93.4Very high66 Ų6651.4 Ų51.441%0.40532%0.317SS..  trans-107.7124174.5-60.80000109.4N81 L82 T83T17-N81 HydrophobicContact CG2-CB 4.34Å; T17-L82 WeakPolarHBondContact CA-O 3.45Å; T17-T83 HydrophobicContact CG2-CG2 4.11Å
18L97.3Very high92.7Very high0 Ų050.2 Ų50.20%032%0.323CS..EExtended strand (participates in β ladder)trans-77.2126.9167.517063.2000108.9A9 L12 L20 N81 L82 V85 Y93 V112A9-L18 HydrophobicContact CB-CD1 4.39Å; L12-L18 HydrophobicContact CD1-CB 3.56Å; L12-L18 HydrophobicContact CD1-CD1 3.81Å; L12-L18 HydrophobicContact CD1-CG 4.28Å; L18-L20 HydrophobicContact CD1-CD1 4.3Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 3.74Å; L18-L20 HydrophobicContact CD2-CD1 4.14Å; L18-L20 HydrophobicContact CD2-CG 4.31Å; L18-L20 HydrophobicContact CG-CD1 4.39Å; L18-L20 HydrophobicContact CG-CG 4.01Å; L18-N81 CarbonylContact O-C 3.57Å; L18-N81 VanDerWaalsContact O-CA 3.23Å; L18-N81 WeakPolarHBondContact O-CA 3.41Å; L18-L82 HydrophobicContact CB-CB 4.25Å; L18-L82 PolarHBondContact N-O 2.82Å; L18-L82 PolarHBondContact O-N 3.08Å; L18-V85 HydrophobicContact CB-CG1 3.93Å; L18-Y93 HydrophobicContact CD2-CD1 4.28Å; L18-Y93 HydrophobicContact CD2-CD2 4.47Å; L18-Y93 HydrophobicContact CD2-CE1 3.84Å; L18-Y93 HydrophobicContact CD2-CE2 4.06Å; L18-V112 HydrophobicContact CD1-CB 4.46Å; L18-V112 HydrophobicContact CD1-CG1 3.79Å; L18-V112 HydrophobicContact CD1-CG2 3.8Å; L18-V112 HydrophobicContact CD2-CG1 4.11Å; L18-V112 HydrophobicContact CD2-CG2 4.2Å; L18-V112 HydrophobicContact CG-CG1 4.5Å
19S97.5Very high92.2Very high55 Ų5548.7 Ų48.739%0.38531%0.305SS..EExtended strand (participates in β ladder)trans-121.7118.3171.5-61.60000109.9G8 A9 L80 N81G8-S19 WeakPolarHBondContact CA-O 3.47Å; A9-S19 PolarHBondContact N-O 2.97Å; S19-L80 WeakPolarHBondContact CA-O 3.49Å; S19-N81 WeakPolarHBondContact CB-OD1 3.41Å; S19-N81 PolarHBondContact OG-OD1 3.19Å
20L97.9Very high92.1Very high0 Ų050 Ų500%031%0.312CS..EExtended strand (participates in β ladder)trans-122.5145.8175.1-60.1179.4000110L18 W36 S79 L80 Y93 I110 V112L18-L20 HydrophobicContact CD1-CD1 4.3Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 3.74Å; L18-L20 HydrophobicContact CD2-CD1 4.14Å; L18-L20 HydrophobicContact CD2-CG 4.31Å; L18-L20 HydrophobicContact CG-CD1 4.39Å; L18-L20 HydrophobicContact CG-CG 4.01Å; L20-W36 HydrophobicContact CB-CH2 3.5Å; L20-W36 VanDerWaalsContact CB-CH2 3.5Å; L20-W36 HydrophobicContact CB-CZ2 4.24Å; L20-W36 HydrophobicContact CB-CZ3 3.78Å; L20-W36 HydrophobicContact CD1-CE3 4.45Å; L20-W36 HydrophobicContact CD1-CH2 4.37Å; L20-W36 HydrophobicContact CD1-CZ3 3.76Å; L20-W36 HydrophobicContact CG-CZ3 4.44Å; L20-S79 CarbonylContact O-C 3.57Å; L20-S79 WeakPolarHBondContact O-CA 3.4Å; L20-S79 VanDerWaalsContact O-CB 3.25Å; L20-S79 WeakPolarHBondContact O-CB 3.4Å; L20-L80 HydrophobicContact CB-CB 4.47Å; L20-L80 HydrophobicContact CD1-CD2 4.45Å; L20-L80 PolarHBondContact N-O 2.87Å; L20-L80 PolarHBondContact O-N 2.8Å; L20-Y93 VanDerWaalsContact CD1-CB 3.49Å; L20-Y93 HydrophobicContact CD1-CD1 3.97Å; L20-Y93 HydrophobicContact CD1-CD2 4.48Å; L20-Y93 HydrophobicContact CD1-CG 3.74Å; L20-I110 HydrophobicContact CD1-CG2 3.96Å; L20-I110 HydrophobicContact CD2-CD1 4.44Å; L20-I110 HydrophobicContact CD2-CG2 3.85Å; L20-V112 HydrophobicContact CD1-CG2 4.34Å; L20-V112 HydrophobicContact CD2-CG2 4.33Å
21T97.9Very high91.8Very high32 Ų3251.3 Ų51.320%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-127.5143.4173.6-57.60000109.5Q6 W7 Q77Q6-T21 VanDerWaalsContact CA-O 3.3Å; Q6-T21 WeakPolarHBondContact CA-O 3.27Å; W7-T21 HydrophobicContact CH2-CG2 3.94Å; W7-T21 HydrophobicContact CZ2-CG2 3.32Å; W7-T21 PolarHBondContact N-O 3.3Å; W7-T21 PolarHBondContact O-N 3.34Å; T21-Q77 HydrophobicContact CG2-CB 4.17Å; T21-Q77 HydrophobicContact CG2-CG 4.16Å
22C96.4Very high91.3Very high0 Ų048.6 Ų48.60%031%0.307CS..EExtended strand (participates in β ladder)trans-124.8123.5174.1-179.90000109.4Q5 Q6 W36 Q77 F78 C95Q5-C22 CarbonylContact O-C 3.53Å; Q5-C22 WeakPolarHBondContact O-CA 3.26Å; Q6-C22 HydrophobicContact CG-CB 4.15Å; C22-W36 HydrophobicContact CB-CH2 4Å; C22-W36 HydrophobicContact CB-CZ2 3.86Å; C22-Q77 WeakPolarHBondContact O-CA 3.47Å; C22-F78 HydrophobicContact CB-CD1 4.07Å; C22-F78 HydrophobicContact CB-CE1 3.62Å; C22-F78 HydrophobicContact CB-CE2 4.11Å; C22-F78 HydrophobicContact CB-CZ 3.66Å; C22-F78 PolarHBondContact N-O 2.86Å; C22-F78 PolarHBondContact O-N 2.83Å; C22-F78 WeakPolarHBondContact SG-CE1 3.26Å; C22-F78 VanDerWaalsContact SG-CZ 3.52Å; C22-C95 HydrophobicContact CB-CB 3.43Å; C22-C95 VanDerWaalsContact CB-CB 3.43Å; C22-C95 WeakPolarHBondContact CB-SG 3.47Å; C22-C95 WeakPolarHBondContact SG-CB 3.34Å; C22-C95 CovalentContact SG-SG 2.03Å; C22-C95 PolarHBondContact SG-SG 2.9Å
23G95.6Very high91Very high0 Ų051.8 Ų51.80%032%0.319CS..EExtended strand (participates in β ladder)trans-99.5139.917300000111.4L4 Q5L4-G23 WeakPolarHBondContact CA-O 3.38Å; Q5-G23 PolarHBondContact N-O 3.03Å; Q5-G23 PolarHBondContact O-N 3.29Å
24V93.1Very high90.8Very high7 Ų745.5 Ų45.54%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-105.2124.2177.5-174.80000109.1V2 L4 F29 W34 D76 F78V2-V24 HydrophobicContact CG1-CG1 3.98Å; L4-V24 HydrophobicContact CD2-CB 4.18Å; L4-V24 HydrophobicContact CD2-CG1 4.1Å; L4-V24 HydrophobicContact CD2-CG2 3.7Å; V24-F29 HydrophobicContact CB-CD2 3.81Å; V24-F29 HydrophobicContact CB-CE2 4.36Å; V24-F29 HydrophobicContact CG1-CD2 4.5Å; V24-F29 HydrophobicContact CG2-CD2 3.5Å; V24-F29 HydrophobicContact CG2-CE2 3.61Å; V24-W34 HydrophobicContact CB-CH2 4.29Å; V24-W34 HydrophobicContact CB-CZ2 4.43Å; V24-W34 HydrophobicContact CG1-CH2 3.58Å; V24-W34 HydrophobicContact CG1-CZ2 3.9Å; V24-W34 HydrophobicContact CG1-CZ3 4.4Å; V24-W34 HydrophobicContact CG2-CD2 4.29Å; V24-W34 HydrophobicContact CG2-CE3 4.2Å; V24-W34 HydrophobicContact CG2-CH2 3.66Å; V24-W34 HydrophobicContact CG2-CZ2 3.78Å; V24-W34 HydrophobicContact CG2-CZ3 3.88Å; V24-D76 PolarHBondContact N-O 3.17Å; V24-F78 HydrophobicContact CG2-CE1 4.2Å
25Y91.4Very high90.7Very high102 Ų10242.7 Ų42.740%0.427%0.273SS..EExtended strand (participates in β ladder)trans-123.4144.4-177.2-60.5-87.5000111.4V2 Q3 Q5 G27V2-Y25 CarbonylContact C-O 3.56Å; V2-Y25 WeakPolarHBondContact CA-O 3.46Å; Q3-Y25 PolarHBondContact N-O 2.75Å; Q3-Y25 PolarHBondContact O-N 2.75Å; Q5-Y25 HydrophobicContact CB-CD2 4.32Å; Q5-Y25 HydrophobicContact CB-CE2 3.9Å; Y25-G27 VanDerWaalsContact C-N 3.32Å; Y25-G27 PolarHBondContact O-N 2.93Å
26G86Confident90.7Very high67 Ų6738.1 Ų38.169%0.69124%0.241SC*.SBendtrans68.824.7172.100000115.1
27G80.3Confident90.7Very high37 Ų3734.9 Ų34.938%0.38123%0.226SC..SBendtrans-154.5174.5179.500000112.9Y25Y25-G27 VanDerWaalsContact C-N 3.32Å; Y25-G27 PolarHBondContact O-N 2.93Å
28S81.2Confident90.7Very high70 Ų7032.5 Ų32.549%0.4921%0.21SC..  trans-81.1125.8172.3-175.10000110.3S30 Y32S28-S30 PolarHBondContact OG-N 3.19Å; S28-S30 PolarHBondContact OG-O 2.86Å; S28-S30 PolarHBondContact OG-OG 2.86Å; S28-Y32 WeakPolarHBondContact O-CD2 3.37Å; S28-Y32 WeakPolarHBondContact O-CE2 3.5Å
29F82Confident90.7Very high9 Ų936 Ų364%0.03923%0.226CC..  trans-74.6-29.3173.5-169.3-95.4000112.6V24 W34 H53 V71 T73 D76 F78V24-F29 HydrophobicContact CB-CD2 3.81Å; V24-F29 HydrophobicContact CB-CE2 4.36Å; V24-F29 HydrophobicContact CG1-CD2 4.5Å; V24-F29 HydrophobicContact CG2-CD2 3.5Å; V24-F29 HydrophobicContact CG2-CE2 3.61Å; F29-W34 HydrophobicContact CD2-CZ2 4.26Å; F29-W34 AromaticContact CD2-NE1 3.76Å; F29-W34 AromaticContact CE2-CD1 3.94Å; F29-W34 HydrophobicContact CE2-CG 4.5Å; F29-W34 AromaticContact CE2-NE1 3.65Å; F29-W34 AromaticContact CZ-CD1 3.78Å; F29-W34 AromaticContact CZ-NE1 3.81Å; F29-W34 PolarHBondContact O-NE1 2.96Å; F29-H53 HydrophobicContact CD1-CB 4.3Å; F29-H53 HydrophobicContact CE1-CB 4.39Å; F29-V71 HydrophobicContact CE1-CG2 3.4Å; F29-V71 VanDerWaalsContact CE1-CG2 3.4Å; F29-V71 HydrophobicContact CZ-CG2 3.59Å; F29-T73 HydrophobicContact CD1-CG2 4.39Å; F29-T73 HydrophobicContact CE1-CG2 4.21Å; F29-D76 HydrophobicContact CB-CB 4.02Å; F29-D76 WeakPolarHBondContact CB-OD1 3.41Å; F29-D76 HydrophobicContact CD2-CB 3.82Å; F29-D76 VanDerWaalsContact CE2-C 3.45Å; F29-D76 WeakPolarHBondContact CE2-O 3.22Å; F29-D76 HydrophobicContact CG-CB 4.04Å; F29-F78 HydrophobicContact CE2-CD1 4.07Å; F29-F78 HydrophobicContact CZ-CB 4.44Å; F29-F78 HydrophobicContact CZ-CD1 4.33Å
30S79.4Confident90.7Very high63 Ų6334 Ų3444%0.44121%0.212SC..THydrogen-bonded Turntrans-81.4153.6-176.1660000112.7S28 Y32S28-S30 PolarHBondContact OG-N 3.19Å; S28-S30 PolarHBondContact OG-O 2.86Å; S28-S30 PolarHBondContact OG-OG 2.86Å; S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 WeakPolarHBondContact O-CD2 3.37Å; S30-Y32 VanDerWaalsContact O-CE2 3.28Å; S30-Y32 WeakPolarHBondContact O-CE2 3.48Å
31G77.9Confident90.6Very high60 Ų6038.8 Ų38.862%0.61924%0.243SC*.THydrogen-bonded Turntrans80.57.3178.600000115.6H53G31-H53 PolarHBondContact N-ND1 2.86Å
32Y82.6Confident90.5Very high69 Ų6941.6 Ų41.627%0.27128%0.278SS..  trans-123.5159.3179.9-59.2-82.4000112.9S28 S30 W34 N97 Y99S28-Y32 WeakPolarHBondContact O-CD2 3.37Å; S28-Y32 WeakPolarHBondContact O-CE2 3.5Å; S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 WeakPolarHBondContact O-CD2 3.37Å; S30-Y32 VanDerWaalsContact O-CE2 3.28Å; S30-Y32 WeakPolarHBondContact O-CE2 3.48Å; Y32-W34 HydrophobicContact CD2-CZ2 4.45Å; Y32-N97 WeakPolarHBondContact CB-ND2 3.47Å; Y32-N97 WeakPolarHBondContact CD1-ND2 3.32Å; Y32-N97 WeakPolarHBondContact CD1-OD1 3.39Å; Y32-N97 VanDerWaalsContact CG-ND2 3.26Å; Y32-Y99 AromaticContact CD1-CD2 3.6Å; Y32-Y99 HydrophobicContact CD1-CD2 3.6Å; Y32-Y99 HydrophobicContact CD1-CE2 4.37Å; Y32-Y99 HydrophobicContact CD1-CG 4.45Å; Y32-Y99 AromaticContact CE1-CD2 3.37Å; Y32-Y99 HydrophobicContact CE1-CD2 3.37Å; Y32-Y99 AromaticContact CE1-CE2 3.89Å; Y32-Y99 HydrophobicContact CE1-CE2 3.89Å; Y32-Y99 HydrophobicContact CE1-CG 4.2Å
33Y90.4Very high90.4Very high80 Ų8048.6 Ų48.631%0.31431%0.308SS..EExtended strand (participates in β ladder)trans-98.4132.5162.2-76.4-89.1000109.7E50 N52 L98Y33-E50 HydrophobicContact CD1-CB 4.4Å; Y33-E50 HydrophobicContact CD1-CG 3.81Å; Y33-E50 HydrophobicContact CE1-CG 4.46Å; Y33-N52 HydrophobicContact CD1-CB 3.79Å; Y33-N52 HydrophobicContact CE1-CB 3.65Å; Y33-N52 HydrophobicContact CG-CB 4.28Å; Y33-N52 PolarHBondContact OH-ND2 3.44Å; Y33-L98 PolarHBondContact O-N 3.05Å
34W92.6Very high90.4Very high2 Ų251.1 Ų51.11%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-108.9121.7180-63.7108.1000108.8L4 V24 F29 Y32 E50 I51 F78 N97L4-W34 HydrophobicContact CD1-CZ3 4.22Å; L4-W34 HydrophobicContact CD2-CE3 4.43Å; L4-W34 HydrophobicContact CD2-CH2 4.19Å; L4-W34 HydrophobicContact CD2-CZ3 3.63Å; V24-W34 HydrophobicContact CB-CH2 4.29Å; V24-W34 HydrophobicContact CB-CZ2 4.43Å; V24-W34 HydrophobicContact CG1-CH2 3.58Å; V24-W34 HydrophobicContact CG1-CZ2 3.9Å; V24-W34 HydrophobicContact CG1-CZ3 4.4Å; V24-W34 HydrophobicContact CG2-CD2 4.29Å; V24-W34 HydrophobicContact CG2-CE3 4.2Å; V24-W34 HydrophobicContact CG2-CH2 3.66Å; V24-W34 HydrophobicContact CG2-CZ2 3.78Å; V24-W34 HydrophobicContact CG2-CZ3 3.88Å; F29-W34 HydrophobicContact CD2-CZ2 4.26Å; F29-W34 AromaticContact CD2-NE1 3.76Å; F29-W34 AromaticContact CE2-CD1 3.94Å; F29-W34 HydrophobicContact CE2-CG 4.5Å; F29-W34 AromaticContact CE2-NE1 3.65Å; F29-W34 AromaticContact CZ-CD1 3.78Å; F29-W34 AromaticContact CZ-NE1 3.81Å; F29-W34 PolarHBondContact O-NE1 2.96Å; Y32-W34 HydrophobicContact CD2-CZ2 4.45Å; W34-E50 CarbonylContact O-C 3.58Å; W34-E50 VanDerWaalsContact O-CA 3.22Å; W34-E50 WeakPolarHBondContact O-CA 3.5Å; W34-I51 HydrophobicContact CB-CG2 4.39Å; W34-I51 PolarHBondContact N-O 3.05Å; W34-I51 PolarHBondContact O-N 3.3Å; W34-F78 HydrophobicContact CB-CD1 3.9Å; W34-F78 HydrophobicContact CB-CD2 3.91Å; W34-F78 HydrophobicContact CB-CE1 3.72Å; W34-F78 HydrophobicContact CB-CE2 3.75Å; W34-F78 HydrophobicContact CB-CG 3.97Å; W34-F78 HydrophobicContact CB-CZ 3.62Å; W34-F78 HydrophobicContact CD2-CD1 4.47Å; W34-F78 AromaticContact CD2-CE1 3.98Å; W34-F78 HydrophobicContact CD2-CE1 3.98Å; W34-F78 HydrophobicContact CD2-CZ 4.43Å; W34-F78 AromaticContact CE3-CE1 3.91Å; W34-F78 HydrophobicContact CE3-CE1 3.91Å; W34-F78 HydrophobicContact CE3-CZ 4.16Å; W34-F78 HydrophobicContact CG-CD1 4.07Å; W34-F78 AromaticContact CG-CE1 3.91Å; W34-F78 HydrophobicContact CG-CE1 3.91Å; W34-F78 HydrophobicContact CG-CZ 4.25Å; W34-N97 HydrophobicContact CE3-CB 3.89Å; W34-N97 HydrophobicContact CH2-CB 4.06Å; W34-N97 WeakPolarHBondContact CH2-ND2 3.22Å; W34-N97 WeakPolarHBondContact CZ2-ND2 3.35Å; W34-N97 HydrophobicContact CZ3-CB 3.45Å; W34-N97 VanDerWaalsContact CZ3-CB 3.45Å; W34-N97 VanDerWaalsContact CZ3-ND2 3.28Å; W34-N97 WeakPolarHBondContact CZ3-ND2 3.38Å
35S94.8Very high90.5Very high0 Ų055.4 Ų55.40%036%0.357CS..EExtended strand (participates in β ladder)trans-109.6147.2-171.9-790000112.5W47 G49 E50 C95 A96 L98S35-W47 PolarHBondContact OG-NE1 2.86Å; S35-G49 WeakPolarHBondContact CA-O 3.39Å; S35-E50 WeakPolarHBondContact OG-CB 3.43Å; S35-C95 WeakPolarHBondContact O-CA 3.35Å; S35-A96 PolarHBondContact N-O 2.9Å; S35-A96 PolarHBondContact O-N 3.37Å; S35-L98 WeakPolarHBondContact OG-CD1 3.47Å
36W96.7Very high90.8Very high0 Ų053 Ų530%035%0.35CS..EExtended strand (participates in β ladder)trans-105.7132.1165.1-75.4100.3000109.9L20 C22 I48 G49 F78 L80 C95L20-W36 HydrophobicContact CB-CH2 3.5Å; L20-W36 VanDerWaalsContact CB-CH2 3.5Å; L20-W36 HydrophobicContact CB-CZ2 4.24Å; L20-W36 HydrophobicContact CB-CZ3 3.78Å; L20-W36 HydrophobicContact CD1-CE3 4.45Å; L20-W36 HydrophobicContact CD1-CH2 4.37Å; L20-W36 HydrophobicContact CD1-CZ3 3.76Å; L20-W36 HydrophobicContact CG-CZ3 4.44Å; C22-W36 HydrophobicContact CB-CH2 4Å; C22-W36 HydrophobicContact CB-CZ2 3.86Å; W36-I48 HydrophobicContact CB-CB 4.13Å; W36-I48 HydrophobicContact CB-CD1 4.32Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 3.34Å; W36-G49 PolarHBondContact N-O 3.4Å; W36-F78 AromaticContact CD1-CD2 3.92Å; W36-F78 AromaticContact CD1-CE2 3.91Å; W36-F78 HydrophobicContact CD2-CE2 4.4Å; W36-F78 AromaticContact CE2-CD2 3.87Å; W36-F78 AromaticContact CE2-CE2 3.75Å; W36-F78 HydrophobicContact CG-CE2 4.48Å; W36-F78 HydrophobicContact CZ2-CD2 4.26Å; W36-F78 HydrophobicContact CZ2-CE2 4.18Å; W36-F78 AromaticContact NE1-CD2 3.23Å; W36-F78 AromaticContact NE1-CE2 3.43Å; W36-L80 HydrophobicContact CB-CD2 4.22Å; W36-L80 HydrophobicContact CD2-CB 3.64Å; W36-L80 HydrophobicContact CD2-CD2 3.98Å; W36-L80 HydrophobicContact CD2-CG 4.37Å; W36-L80 HydrophobicContact CE3-CB 4.19Å; W36-L80 HydrophobicContact CE3-CD2 3.97Å; W36-L80 HydrophobicContact CG-CB 3.87Å; W36-L80 HydrophobicContact CG-CD1 4.43Å; W36-L80 HydrophobicContact CG-CD2 4.08Å; W36-L80 HydrophobicContact CG-CG 4.36Å; W36-L80 HydrophobicContact CZ2-CB 4.01Å; W36-C95 HydrophobicContact CD2-CB 4.44Å; W36-C95 HydrophobicContact CE3-CB 4.24Å; W36-C95 HydrophobicContact CH2-CB 4.14Å; W36-C95 HydrophobicContact CZ2-CB 4.33Å; W36-C95 HydrophobicContact CZ3-CB 4.12Å
37I96.6Very high91.2Very high13 Ų1353.7 Ų53.77%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-133.9143.1-177.6-57.3168.1000107.1L45 E46 Y93 Y94 A96 L103 W106I37-L45 HydrophobicContact CG2-CB 3.97Å; I37-L45 HydrophobicContact CG2-CD2 3.84Å; I37-L45 HydrophobicContact CG2-CG 4.43Å; I37-E46 WeakPolarHBondContact CA-O 3.26Å; I37-E46 WeakPolarHBondContact CG2-O 3.38Å; I37-Y93 CarbonylContact O-C 3.49Å; I37-Y93 WeakPolarHBondContact O-CA 3.4Å; I37-Y94 PolarHBondContact N-O 3.06Å; I37-Y94 PolarHBondContact O-N 3.08Å; I37-A96 HydrophobicContact CD1-CB 4.17Å; I37-L103 HydrophobicContact CD1-CD2 4.3Å; I37-W106 HydrophobicContact CB-CH2 4.49Å; I37-W106 HydrophobicContact CB-CZ3 4.47Å; I37-W106 HydrophobicContact CD1-CH2 3.41Å; I37-W106 VanDerWaalsContact CD1-CH2 3.41Å; I37-W106 HydrophobicContact CD1-CZ2 3.92Å; I37-W106 HydrophobicContact CD1-CZ3 3.96Å; I37-W106 HydrophobicContact CG2-CH2 4.28Å; I37-W106 HydrophobicContact CG2-CZ3 4.48Å
38R96.8Very high92Very high17 Ų1752 Ų526%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-125.8154.1171.165.6179.2-173.3-178.64.3112E46 I48 D89 A91 V92 Y93R38-E46 HydrophobicContact CG-CB 4.17Å; R38-E46 IonicContact CZ-OE2 2.83Å; R38-E46 VanDerWaalsContact CZ-OE2 3.23Å; R38-E46 PolarHBondContact N-O 3.01Å; R38-E46 IonicContact NE-OE2 3.55Å; R38-E46 PolarHBondContact NE-OE2 3.27Å; R38-E46 IonicContact NH2-OE1 3.82Å; R38-E46 IonicContact NH2-OE2 2.75Å; R38-E46 PolarHBondContact NH2-OE2 3.13Å; R38-E46 PolarHBondContact O-N 2.78Å; R38-I48 HydrophobicContact CB-CD1 3.96Å; R38-I48 HydrophobicContact CG-CD1 3.95Å; R38-I48 HydrophobicContact CG-CG1 4.06Å; R38-D89 IonicContact CZ-OD1 2.75Å; R38-D89 IonicContact NH1-OD1 2.93Å; R38-D89 PolarHBondContact NH1-OD1 2.84Å; R38-A91 HydrophobicContact CB-CB 3.87Å; R38-A91 HydrophobicContact CG-CB 4.42Å; R38-V92 CarbonylContact C-O 3.55Å; R38-V92 VanDerWaalsContact CA-O 3.26Å; R38-V92 WeakPolarHBondContact CA-O 3.29Å; R38-Y93 HydrophobicContact CB-CD1 3.87Å; R38-Y93 HydrophobicContact CB-CD2 4.48Å; R38-Y93 HydrophobicContact CB-CE1 3.82Å; R38-Y93 HydrophobicContact CB-CE2 4.42Å; R38-Y93 HydrophobicContact CB-CG 4.2Å; R38-Y93 HydrophobicContact CG-CE1 4.45Å
39Q97.6Very high92.7Very high74 Ų7448.7 Ų48.735%0.34629%0.29SS..EExtended strand (participates in β ladder)trans-126.198.9173.6-169.3178.122.100109.8K43 L45 A91 V92 Y94Q39-K43 WeakPolarHBondContact CG-O 3.21Å; Q39-L45 HydrophobicContact CB-CD2 4.05Å; Q39-L45 HydrophobicContact CG-CD2 4.44Å; Q39-A91 WeakPolarHBondContact O-CA 3.44Å; Q39-A91 WeakPolarHBondContact O-CB 3.37Å; Q39-V92 PolarHBondContact N-O 2.95Å; Q39-V92 PolarHBondContact O-N 3.41Å; Q39-Y94 HydrophobicContact CB-CE2 3.96Å; Q39-Y94 PolarHBondContact OE1-OH 2.88Å
40P96.9Very high93.4Very high12 Ų1249.2 Ų49.28%0.07829%0.293CS..  trans-64.9152172.5-19.532.1000111.4G42 K43 A91P40-G42 PolarHBondContact O-N 3.09Å; P40-K43 HydrophobicContact CB-CB 4.12Å; P40-K43 HydrophobicContact CB-CD 4.02Å; P40-K43 HydrophobicContact CB-CG 4.25Å; P40-K43 HydrophobicContact CG-CB 4.36Å; P40-K43 HydrophobicContact CG-CD 4.24Å; P40-K43 PolarHBondContact O-N 2.98Å; P40-A91 HydrophobicContact CB-CB 4.5Å; P40-A91 HydrophobicContact CG-CB 4.36Å
41P95.8Very high94.1Very high100 Ų10046.4 Ų46.465%0.64927%0.273SS*.THydrogen-bonded Turntrans-54.2129.3176.5-25.233.7000112K43 T90P41-K43 PolarHBondContact O-N 2.87Å; P41-T90 VanDerWaalsContact CD-O 3.26Å; P41-T90 WeakPolarHBondContact CD-O 3.3Å
42G96.3Very high94.8Very high91 Ų9144.5 Ų44.594%0.93825%0.248SC*.THydrogen-bonded Turntrans70.99.9-179.700000115.3P40P40-G42 PolarHBondContact O-N 3.09Å
43K95.6Very high95.1Very high147 Ų14744.9 Ų44.964%0.63925%0.252SS*.SBendtrans-120164.2177.7-60.8-169.1-176.9177.60112.1Q39 P40 P41Q39-K43 WeakPolarHBondContact CG-O 3.21Å; P40-K43 HydrophobicContact CB-CB 4.12Å; P40-K43 HydrophobicContact CB-CD 4.02Å; P40-K43 HydrophobicContact CB-CG 4.25Å; P40-K43 HydrophobicContact CG-CB 4.36Å; P40-K43 HydrophobicContact CG-CD 4.24Å; P40-K43 PolarHBondContact O-N 2.98Å; P41-K43 PolarHBondContact O-N 2.87Å
44G95.1Very high95.2Very high54 Ų5445.2 Ų45.256%0.55727%0.266SS*.  trans-72.9179.3171.200000112.9
45L95.4Very high95.2Very high97 Ų9746.8 Ų46.851%0.50828%0.283SS..  trans-67.1132.1174-65.9167.2000110.5I37 Q39 Y94 W106I37-L45 HydrophobicContact CG2-CB 3.97Å; I37-L45 HydrophobicContact CG2-CD2 3.84Å; I37-L45 HydrophobicContact CG2-CG 4.43Å; Q39-L45 HydrophobicContact CB-CD2 4.05Å; Q39-L45 HydrophobicContact CG-CD2 4.44Å; L45-Y94 HydrophobicContact CD2-CD2 4.35Å; L45-Y94 HydrophobicContact CD2-CE2 4.19Å; L45-W106 HydrophobicContact CD1-CH2 3.87Å; L45-W106 HydrophobicContact CD2-CH2 4.26Å; L45-W106 HydrophobicContact CD2-CZ3 4.38Å
46E95.9Very high95.1Very high52 Ų5249.6 Ų49.624%0.24330%0.303CS..EExtended strand (participates in β ladder)trans-116.8117.6174.7-176.4-176.1-167.700109I37 R38I37-E46 WeakPolarHBondContact CA-O 3.26Å; I37-E46 WeakPolarHBondContact CG2-O 3.38Å; R38-E46 HydrophobicContact CG-CB 4.17Å; R38-E46 IonicContact CZ-OE2 2.83Å; R38-E46 VanDerWaalsContact CZ-OE2 3.23Å; R38-E46 PolarHBondContact N-O 3.01Å; R38-E46 IonicContact NE-OE2 3.55Å; R38-E46 PolarHBondContact NE-OE2 3.27Å; R38-E46 IonicContact NH2-OE1 3.82Å; R38-E46 IonicContact NH2-OE2 2.75Å; R38-E46 PolarHBondContact NH2-OE2 3.13Å; R38-E46 PolarHBondContact O-N 2.78Å
47W95.7Very high95.1Very high80 Ų8052 Ų5230%0.30332%0.317SS..EExtended strand (participates in β ladder)trans-71.1132.9173.2178.781.7000110.3S35 G49 E50 K58 N60S35-W47 PolarHBondContact OG-NE1 2.86Å; W47-G49 VanDerWaalsContact CE2-CA 3.5Å; W47-G49 VanDerWaalsContact CZ2-C 3.42Å; W47-G49 PolarHBondContact NE1-O 2.87Å; W47-E50 HydrophobicContact CZ2-CB 3.93Å; W47-E50 HydrophobicContact CZ2-CG 3.88Å; W47-K58 HydrophobicContact CH2-CB 3.96Å; W47-K58 HydrophobicContact CZ2-CB 4.43Å; W47-N60 HydrophobicContact CE3-CB 3.96Å; W47-N60 HydrophobicContact CZ3-CB 4.15Å; W47-N60 VanDerWaalsContact CZ3-N 3.26Å; W47-N60 VanDerWaalsContact O-CB 3.29Å; W47-N60 WeakPolarHBondContact O-CB 3.37Å; W47-N60 PolarHBondContact O-ND2 2.67Å
48I97.1Very high95Very high2 Ų256.7 Ų56.71%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-96.9-45.8-178.8-62.3173.5000110.7W36 R38 N60 L63 V67 L80 Y93W36-I48 HydrophobicContact CB-CB 4.13Å; W36-I48 HydrophobicContact CB-CD1 4.32Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 3.34Å; R38-I48 HydrophobicContact CB-CD1 3.96Å; R38-I48 HydrophobicContact CG-CD1 3.95Å; R38-I48 HydrophobicContact CG-CG1 4.06Å; I48-N60 WeakPolarHBondContact O-CB 3.4Å; I48-N60 PolarHBondContact O-N 3.23Å; I48-L63 HydrophobicContact CB-CD1 4.37Å; I48-L63 HydrophobicContact CG1-CD1 4.04Å; I48-L63 HydrophobicContact CG2-CD1 4.2Å; I48-V67 HydrophobicContact CG2-CB 4.47Å; I48-V67 HydrophobicContact CG2-CG1 3.86Å; I48-V67 HydrophobicContact CG2-CG2 3.79Å; I48-L80 HydrophobicContact CD1-CD2 3.95Å; I48-L80 HydrophobicContact CG2-CD1 4.01Å; I48-Y93 HydrophobicContact CD1-CD1 3.77Å; I48-Y93 HydrophobicContact CD1-CE1 3.61Å
49G96Very high95Very high0 Ų058.3 Ų58.30%034%0.344CS..EExtended strand (participates in β ladder)trans170.2170.8-17400000112.1S35 W36 W47 K58 I69S35-G49 WeakPolarHBondContact CA-O 3.39Å; W36-G49 PolarHBondContact N-O 3.4Å; W47-G49 VanDerWaalsContact CE2-CA 3.5Å; W47-G49 VanDerWaalsContact CZ2-C 3.42Å; W47-G49 PolarHBondContact NE1-O 2.87Å; G49-K58 CarbonylContact C-O 3.53Å; G49-K58 WeakPolarHBondContact CA-O 3.35Å; G49-I69 VanDerWaalsContact C-CD1 3.47Å
50E95.3Very high94.9Very high21 Ų2156 Ų5610%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-136.1155.2178.472.8-170.8-176.300111.5Y33 W34 S35 W47 T57 K58Y33-E50 HydrophobicContact CD1-CB 4.4Å; Y33-E50 HydrophobicContact CD1-CG 3.81Å; Y33-E50 HydrophobicContact CE1-CG 4.46Å; W34-E50 CarbonylContact O-C 3.58Å; W34-E50 VanDerWaalsContact O-CA 3.22Å; W34-E50 WeakPolarHBondContact O-CA 3.5Å; S35-E50 WeakPolarHBondContact OG-CB 3.43Å; W47-E50 HydrophobicContact CZ2-CB 3.93Å; W47-E50 HydrophobicContact CZ2-CG 3.88Å; E50-T57 VanDerWaalsContact O-CA 3.26Å; E50-T57 WeakPolarHBondContact O-CA 3.45Å; E50-K58 HydrophobicContact CG-CB 4.03Å; E50-K58 HydrophobicContact CG-CG 4.4Å; E50-K58 PolarHBondContact N-O 3.32Å; E50-K58 PolarHBondContact O-N 2.88Å; E50-K58 VanDerWaalsContact OE1-CD 3.31Å; E50-K58 WeakPolarHBondContact OE1-CD 3.33Å; E50-K58 WeakPolarHBondContact OE1-CE 3.36Å; E50-K58 IonicContact OE1-NZ 2.76Å; E50-K58 PolarHBondContact OE1-NZ 3.43Å
51I95.1Very high94.9Very high4 Ų460.9 Ų60.92%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-138.2143.6171.8-167.9161.4000110.5W34 S56 T57 I69 V71 F78W34-I51 HydrophobicContact CB-CG2 4.39Å; W34-I51 PolarHBondContact N-O 3.05Å; W34-I51 PolarHBondContact O-N 3.3Å; I51-S56 WeakPolarHBondContact CA-O 3.07Å; I51-T57 HydrophobicContact CB-CG2 3.95Å; I51-T57 HydrophobicContact CD1-CG2 3.57Å; I51-T57 HydrophobicContact CG1-CG2 3.66Å; I51-I69 HydrophobicContact CB-CG2 3.61Å; I51-I69 HydrophobicContact CD1-CG2 4.12Å; I51-I69 HydrophobicContact CG1-CG2 4.48Å; I51-I69 HydrophobicContact CG2-CG2 3.46Å; I51-I69 VanDerWaalsContact CG2-CG2 3.46Å; I51-V71 HydrophobicContact CD1-CB 3.76Å; I51-V71 HydrophobicContact CD1-CG1 3.81Å; I51-V71 HydrophobicContact CG1-CB 4.24Å; I51-V71 HydrophobicContact CG1-CG1 4.3Å; I51-F78 HydrophobicContact CG2-CB 4Å; I51-F78 HydrophobicContact CG2-CD2 4.34Å; I51-F78 HydrophobicContact CG2-CG 4.45Å
52N91.9Very high94.7Very high19 Ų1960.6 Ų60.610%0.10237%0.366CS..EExtended strand (participates in β ladder)trans-102.9170.2168.474.29.2000112.1Y33 S54 G55 S56Y33-N52 HydrophobicContact CD1-CB 3.79Å; Y33-N52 HydrophobicContact CE1-CB 3.65Å; Y33-N52 HydrophobicContact CG-CB 4.28Å; Y33-N52 PolarHBondContact OH-ND2 3.44Å; N52-S54 PolarHBondContact O-N 3.29Å; N52-S54 WeakPolarHBondContact OD1-CA 3.37Å; N52-S54 WeakPolarHBondContact OD1-CB 3.36Å; N52-S54 PolarHBondContact OD1-N 2.85Å; N52-G55 PolarHBondContact O-N 2.88Å; N52-G55 PolarHBondContact OD1-N 3.26Å; N52-S56 PolarHBondContact N-O 3.26Å; N52-S56 WeakPolarHBondContact OD1-CB 3.24Å; N52-S56 PolarHBondContact OD1-N 3.14Å
53H89.9Confident94.5Very high77 Ų7756.5 Ų56.536%0.35632%0.323SS..THydrogen-bonded Turntrans-57.8-20.4179.275.7-79.8000114.6F29 G31 G55 T73F29-H53 HydrophobicContact CD1-CB 4.3Å; F29-H53 HydrophobicContact CE1-CB 4.39Å; G31-H53 PolarHBondContact N-ND1 2.86Å; H53-G55 VanDerWaalsContact C-N 3.32Å; H53-T73 HydrophobicContact CB-CG2 4.36Å; H53-T73 WeakPolarHBondContact O-CG2 3.14Å
54S91.7Very high94.4Very high87 Ų8756 Ų5661%0.60832%0.32SS*.THydrogen-bonded Turntrans-87.80.3176.6-39.70000112.9N52N52-S54 PolarHBondContact O-N 3.29Å; N52-S54 WeakPolarHBondContact OD1-CA 3.37Å; N52-S54 WeakPolarHBondContact OD1-CB 3.36Å; N52-S54 PolarHBondContact OD1-N 2.85Å
55G92.7Very high94.4Very high35 Ų3558.7 Ų58.736%0.36133%0.331SS..  trans82.98-178.400000114.8N52 H53 T57N52-G55 PolarHBondContact O-N 2.88Å; N52-G55 PolarHBondContact OD1-N 3.26Å; H53-G55 VanDerWaalsContact C-N 3.32Å; G55-T57 PolarHBondContact O-N 3.33Å
56S94.1Very high94.4Very high59 Ų5956.7 Ų56.741%0.41332%0.317SS..  trans-71.5124.1175.1-172.90000109.7I51 N52I51-S56 WeakPolarHBondContact CA-O 3.07Å; N52-S56 PolarHBondContact N-O 3.26Å; N52-S56 WeakPolarHBondContact OD1-CB 3.24Å; N52-S56 PolarHBondContact OD1-N 3.14Å
57T95.6Very high94.5Very high50 Ų5054.6 Ų54.631%0.30731%0.307SS..EExtended strand (participates in β ladder)trans-116.4146.8-175.349.20000112.5E50 I51 G55 Y59 I69E50-T57 VanDerWaalsContact O-CA 3.26Å; E50-T57 WeakPolarHBondContact O-CA 3.45Å; I51-T57 HydrophobicContact CB-CG2 3.95Å; I51-T57 HydrophobicContact CD1-CG2 3.57Å; I51-T57 HydrophobicContact CG1-CG2 3.66Å; G55-T57 PolarHBondContact O-N 3.33Å; T57-Y59 WeakPolarHBondContact OG1-CE2 3.37Å; T57-Y59 PolarHBondContact OG1-OH 3.07Å; T57-I69 HydrophobicContact CG2-CB 4.46Å
58K95.5Very high94.6Very high112 Ų11254 Ų5449%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-129.9151.7161.4-55.2-173.6-160.2132.10109.6W47 G49 E50W47-K58 HydrophobicContact CH2-CB 3.96Å; W47-K58 HydrophobicContact CZ2-CB 4.43Å; G49-K58 CarbonylContact C-O 3.53Å; G49-K58 WeakPolarHBondContact CA-O 3.35Å; E50-K58 HydrophobicContact CG-CB 4.03Å; E50-K58 HydrophobicContact CG-CG 4.4Å; E50-K58 PolarHBondContact N-O 3.32Å; E50-K58 PolarHBondContact O-N 2.88Å; E50-K58 VanDerWaalsContact OE1-CD 3.31Å; E50-K58 WeakPolarHBondContact OE1-CD 3.33Å; E50-K58 WeakPolarHBondContact OE1-CE 3.36Å; E50-K58 IonicContact OE1-NZ 2.76Å; E50-K58 PolarHBondContact OE1-NZ 3.43Å
59Y96.6Very high94.7Very high51 Ų5154.2 Ų54.220%0.231%0.314CS..EExtended strand (participates in β ladder)trans-131.9150.5-175.1-58.9-76.8000110.6T57 P61 K64 V67 I69T57-Y59 WeakPolarHBondContact OG1-CE2 3.37Å; T57-Y59 PolarHBondContact OG1-OH 3.07Å; Y59-P61 WeakPolarHBondContact O-CD 3.35Å; Y59-K64 HydrophobicContact CD2-CG 4.15Å; Y59-K64 HydrophobicContact CG-CG 4.25Å; Y59-V67 HydrophobicContact CD1-CB 4.2Å; Y59-V67 HydrophobicContact CD1-CG1 3.68Å; Y59-V67 HydrophobicContact CE1-CB 4.45Å; Y59-V67 HydrophobicContact CE1-CG1 3.74Å; Y59-I69 HydrophobicContact CD1-CD1 4.17Å; Y59-I69 HydrophobicContact CE1-CB 4.2Å; Y59-I69 HydrophobicContact CE1-CD1 3.91Å; Y59-I69 HydrophobicContact CE1-CG1 3.9Å; Y59-I69 PolarHBondContact OH-N 2.84Å
60N95.7Very high94.7Very high27 Ų2756.6 Ų56.614%0.14433%0.33CS..  trans-63.4123.7162.9-176.5-29.2000108.7W47 I48 S62 L63 K64W47-N60 HydrophobicContact CE3-CB 3.96Å; W47-N60 HydrophobicContact CZ3-CB 4.15Å; W47-N60 VanDerWaalsContact CZ3-N 3.26Å; W47-N60 VanDerWaalsContact O-CB 3.29Å; W47-N60 WeakPolarHBondContact O-CB 3.37Å; W47-N60 PolarHBondContact O-ND2 2.67Å; I48-N60 WeakPolarHBondContact O-CB 3.4Å; I48-N60 PolarHBondContact O-N 3.23Å; N60-S62 PolarHBondContact O-N 2.99Å; N60-S62 VanDerWaalsContact O-N 3.08Å; N60-S62 WeakPolarHBondContact OD1-CB 3.35Å; N60-S62 PolarHBondContact OD1-N 3.49Å; N60-S62 PolarHBondContact OD1-OG 3.04Å; N60-L63 PolarHBondContact O-N 2.93Å; N60-K64 PolarHBondContact O-N 3.33Å
61P95.1Very high94.7Very high113 Ų11357.6 Ų57.673%0.73434%0.338SS*.THydrogen-bonded Turntrans-51.7-35.1-178.5-28.835.7000113.9Y59 L63Y59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-L63 PolarHBondContact O-N 3.25Å
62S91.9Very high94.7Very high94 Ų9459.8 Ų59.866%0.65735%0.349SS*.THydrogen-bonded Turntrans-68.2-20.7-179.3-55.80000113.9N60N60-S62 PolarHBondContact O-N 2.99Å; N60-S62 VanDerWaalsContact O-N 3.08Å; N60-S62 WeakPolarHBondContact OD1-CB 3.35Å; N60-S62 PolarHBondContact OD1-N 3.49Å; N60-S62 PolarHBondContact OD1-OG 3.04Å
63L92.8Very high94.7Very high5 Ų562.6 Ų62.63%0.02637%0.368CS..THydrogen-bonded Turntrans-116.7-9.6-175.7-61.8174.1000113.1I48 N60 P61 S65 R66 V67I48-L63 HydrophobicContact CB-CD1 4.37Å; I48-L63 HydrophobicContact CG1-CD1 4.04Å; I48-L63 HydrophobicContact CG2-CD1 4.2Å; N60-L63 PolarHBondContact O-N 2.93Å; P61-L63 PolarHBondContact O-N 3.25Å; L63-S65 PolarHBondContact O-N 2.52Å; L63-R66 PolarHBondContact O-N 3.36Å; L63-V67 HydrophobicContact CB-CG2 3.75Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 3.29Å; L63-V67 VanDerWaalsContact O-N 3.14Å
64K92.9Very high94.8Very high136 Ų13663.7 Ų63.759%0.59138%0.384SS*.THydrogen-bonded Turntrans-54.2-30.5-171.3-174.7175.4-179.4-1780114.6Y59 N60 R66Y59-K64 HydrophobicContact CD2-CG 4.15Å; Y59-K64 HydrophobicContact CG-CG 4.25Å; N60-K64 PolarHBondContact O-N 3.33Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 3.03Å
65S95.4Very high94.9Very high112 Ų11265.2 Ų65.278%0.78338%0.38SS*.THydrogen-bonded Turntrans-75.3-18.1-179.457.10000114.3L63L63-S65 PolarHBondContact O-N 2.52Å
66R96.4Very high95Very high55 Ų5566.9 Ų66.921%0.20838%0.38CS..THydrogen-bonded Turntrans-117-12.5-175.1-59.5-172.5-60.3127.7-3.7113.5L63 K64 L82 T83 S84 D89L63-R66 PolarHBondContact O-N 3.36Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 3.03Å; R66-L82 HydrophobicContact CB-CD1 3.74Å; R66-L82 WeakPolarHBondContact O-CA 3.3Å; R66-T83 PolarHBondContact NH1-O 2.85Å; R66-T83 PolarHBondContact O-N 3Å; R66-T83 PolarHBondContact O-OG1 2.94Å; R66-S84 PolarHBondContact NH1-O 2.9Å; R66-D89 IonicContact CZ-OD1 3.58Å; R66-D89 IonicContact CZ-OD2 2.86Å; R66-D89 IonicContact NH1-OD1 3.65Å; R66-D89 IonicContact NH1-OD2 3.53Å; R66-D89 PolarHBondContact NH1-OD2 3.04Å; R66-D89 IonicContact NH2-OD1 3.75Å; R66-D89 PolarHBondContact NH2-OD1 2.84Å; R66-D89 IonicContact NH2-OD2 2.8Å
67V97.6Very high95Very high7 Ų766 Ų664%0.04237%0.369CS..EExtended strand (participates in β ladder)trans-100.5131.9-173.71730000111.1I48 Y59 L63 I69 L80 N81 L82I48-V67 HydrophobicContact CG2-CB 4.47Å; I48-V67 HydrophobicContact CG2-CG1 3.86Å; I48-V67 HydrophobicContact CG2-CG2 3.79Å; Y59-V67 HydrophobicContact CD1-CB 4.2Å; Y59-V67 HydrophobicContact CD1-CG1 3.68Å; Y59-V67 HydrophobicContact CE1-CB 4.45Å; Y59-V67 HydrophobicContact CE1-CG1 3.74Å; L63-V67 HydrophobicContact CB-CG2 3.75Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 3.29Å; L63-V67 VanDerWaalsContact O-N 3.14Å; V67-I69 HydrophobicContact CG1-CD1 4.26Å; V67-I69 HydrophobicContact CG1-CG1 3.92Å; V67-L80 HydrophobicContact CG1-CD1 3.6Å; V67-N81 WeakPolarHBondContact CA-O 3.24Å; V67-L82 HydrophobicContact CG2-CD1 3.5Å
68T97.9Very high95.1Very high68 Ų6863.6 Ų63.642%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-124.7125.3166.2-58.80000108.6N81T68-N81 PolarHBondContact N-O 3Å; T68-N81 PolarHBondContact O-N 3.17Å
69I97.9Very high95.2Very high6 Ų659.6 Ų59.63%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-111.5133173-60.5167.9000108.1G49 I51 T57 Y59 V67 S79 L80G49-I69 VanDerWaalsContact C-CD1 3.47Å; I51-I69 HydrophobicContact CB-CG2 3.61Å; I51-I69 HydrophobicContact CD1-CG2 4.12Å; I51-I69 HydrophobicContact CG1-CG2 4.48Å; I51-I69 HydrophobicContact CG2-CG2 3.46Å; I51-I69 VanDerWaalsContact CG2-CG2 3.46Å; T57-I69 HydrophobicContact CG2-CB 4.46Å; Y59-I69 HydrophobicContact CD1-CD1 4.17Å; Y59-I69 HydrophobicContact CE1-CB 4.2Å; Y59-I69 HydrophobicContact CE1-CD1 3.91Å; Y59-I69 HydrophobicContact CE1-CG1 3.9Å; Y59-I69 PolarHBondContact OH-N 2.84Å; V67-I69 HydrophobicContact CG1-CD1 4.26Å; V67-I69 HydrophobicContact CG1-CG1 3.92Å; I69-S79 VanDerWaalsContact CA-O 3.29Å; I69-S79 WeakPolarHBondContact CA-O 3.38Å; I69-S79 WeakPolarHBondContact CG2-O 3.48Å; I69-L80 HydrophobicContact CG1-CD1 3.97Å
70S97.1Very high95.3Very high50 Ų5057.2 Ų57.235%0.3533%0.332SS..EExtended strand (participates in β ladder)trans-129.4158.7-178.5-59.80000111.2F78 S79S70-F78 CarbonylContact O-C 3.59Å; S70-F78 WeakPolarHBondContact O-CA 3.39Å; S70-F78 WeakPolarHBondContact O-CB 3.31Å; S70-S79 PolarHBondContact N-O 2.91Å; S70-S79 PolarHBondContact O-N 2.92Å
71V95.9Very high95.4Very high42 Ų4258.1 Ų58.126%0.25534%0.337SS..EExtended strand (participates in β ladder)trans-129.2136.6-179.5650000110.3F29 I51 T73F29-V71 HydrophobicContact CE1-CG2 3.4Å; F29-V71 VanDerWaalsContact CE1-CG2 3.4Å; F29-V71 HydrophobicContact CZ-CG2 3.59Å; I51-V71 HydrophobicContact CD1-CB 3.76Å; I51-V71 HydrophobicContact CD1-CG1 3.81Å; I51-V71 HydrophobicContact CG1-CB 4.24Å; I51-V71 HydrophobicContact CG1-CG1 4.3Å; V71-T73 HydrophobicContact CG2-CG2 4.03Å
72D95Very high95.5Very high50 Ų5053 Ų5327%0.26730%0.303SS..EExtended strand (participates in β ladder)trans-122.691.4172.2-175-11.4000108.3S74 K75 D76 Q77D72-S74 PolarHBondContact O-N 3.21Å; D72-S74 WeakPolarHBondContact OD1-CB 3.5Å; D72-S74 PolarHBondContact OD1-N 2.76Å; D72-S74 VanDerWaalsContact OD1-N 3.12Å; D72-S74 PolarHBondContact OD1-OG 3.39Å; D72-K75 PolarHBondContact O-N 3.34Å; D72-K75 WeakPolarHBondContact OD2-CD 3.38Å; D72-K75 WeakPolarHBondContact OD2-CE 3.31Å; D72-K75 IonicContact OD2-NZ 3.23Å; D72-K75 PolarHBondContact OD2-NZ 2.94Å; D72-D76 PolarHBondContact O-N 2.74Å; D72-D76 VanDerWaalsContact O-N 3.17Å; D72-Q77 HydrophobicContact CB-CB 4.48Å; D72-Q77 PolarHBondContact N-O 2.89Å; D72-Q77 PolarHBondContact O-N 2.91Å
73T91.8Very high95.7Very high79 Ų7950.9 Ų50.949%0.48529%0.286SS..THydrogen-bonded Turntrans-69.3-17.4-178.654.10000113F29 H53 V71 K75F29-T73 HydrophobicContact CD1-CG2 4.39Å; F29-T73 HydrophobicContact CE1-CG2 4.21Å; H53-T73 HydrophobicContact CB-CG2 4.36Å; H53-T73 WeakPolarHBondContact O-CG2 3.14Å; V71-T73 HydrophobicContact CG2-CG2 4.03Å; T73-K75 PolarHBondContact O-N 3.02Å
74S92.3Very high95.9Very high100 Ų10053.8 Ų53.870%0.69931%0.307SS*.THydrogen-bonded Turntrans-72.9-17.4175.675.30000112.7D72D72-S74 PolarHBondContact O-N 3.21Å; D72-S74 WeakPolarHBondContact OD1-CB 3.5Å; D72-S74 PolarHBondContact OD1-N 2.76Å; D72-S74 VanDerWaalsContact OD1-N 3.12Å; D72-S74 PolarHBondContact OD1-OG 3.39Å
75K93.4Very high96.1Very high119 Ų11947.4 Ų47.452%0.51728%0.279SS..THydrogen-bonded Turntrans-122.25-178.8-58.4-176.1-167123.80113.4D72 T73 Q77D72-K75 PolarHBondContact O-N 3.34Å; D72-K75 WeakPolarHBondContact OD2-CD 3.38Å; D72-K75 WeakPolarHBondContact OD2-CE 3.31Å; D72-K75 IonicContact OD2-NZ 3.23Å; D72-K75 PolarHBondContact OD2-NZ 2.94Å; T73-K75 PolarHBondContact O-N 3.02Å; K75-Q77 VanDerWaalsContact C-N 3.25Å; K75-Q77 HydrophobicContact CB-CB 4.31Å; K75-Q77 HydrophobicContact CB-CG 4.13Å; K75-Q77 WeakPolarHBondContact O-CG 3.23Å; K75-Q77 PolarHBondContact O-N 2.82Å
76D93.5Very high96.1Very high69 Ų6945.2 Ų45.237%0.36926%0.261SS..THydrogen-bonded Turntrans50.246.4-172.4-61.7-42000112.6V24 F29 D72V24-D76 PolarHBondContact N-O 3.17Å; F29-D76 HydrophobicContact CB-CB 4.02Å; F29-D76 WeakPolarHBondContact CB-OD1 3.41Å; F29-D76 HydrophobicContact CD2-CB 3.82Å; F29-D76 VanDerWaalsContact CE2-C 3.45Å; F29-D76 WeakPolarHBondContact CE2-O 3.22Å; F29-D76 HydrophobicContact CG-CB 4.04Å; D72-D76 PolarHBondContact O-N 2.74Å; D72-D76 VanDerWaalsContact O-N 3.17Å
77Q95.9Very high96.1Very high40 Ų4045.3 Ų45.319%0.18727%0.274CS..EExtended strand (participates in β ladder)trans-123.8151.4-175.4-78.6168.63200112.5W7 T21 C22 D72 K75W7-Q77 HydrophobicContact CH2-CG 4Å; W7-Q77 HydrophobicContact CZ2-CG 4.32Å; T21-Q77 HydrophobicContact CG2-CB 4.17Å; T21-Q77 HydrophobicContact CG2-CG 4.16Å; C22-Q77 WeakPolarHBondContact O-CA 3.47Å; D72-Q77 HydrophobicContact CB-CB 4.48Å; D72-Q77 PolarHBondContact N-O 2.89Å; D72-Q77 PolarHBondContact O-N 2.91Å; K75-Q77 VanDerWaalsContact C-N 3.25Å; K75-Q77 HydrophobicContact CB-CB 4.31Å; K75-Q77 HydrophobicContact CB-CG 4.13Å; K75-Q77 WeakPolarHBondContact O-CG 3.23Å; K75-Q77 PolarHBondContact O-N 2.82Å
78F96.3Very high96Very high1 Ų148.5 Ų48.50%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-138150.9166.364.5-74.1000110.1C22 V24 F29 W34 W36 I51 S70 C95C22-F78 HydrophobicContact CB-CD1 4.07Å; C22-F78 HydrophobicContact CB-CE1 3.62Å; C22-F78 HydrophobicContact CB-CE2 4.11Å; C22-F78 HydrophobicContact CB-CZ 3.66Å; C22-F78 PolarHBondContact N-O 2.86Å; C22-F78 PolarHBondContact O-N 2.83Å; C22-F78 WeakPolarHBondContact SG-CE1 3.26Å; C22-F78 VanDerWaalsContact SG-CZ 3.52Å; V24-F78 HydrophobicContact CG2-CE1 4.2Å; F29-F78 HydrophobicContact CE2-CD1 4.07Å; F29-F78 HydrophobicContact CZ-CB 4.44Å; F29-F78 HydrophobicContact CZ-CD1 4.33Å; W34-F78 HydrophobicContact CB-CD1 3.9Å; W34-F78 HydrophobicContact CB-CD2 3.91Å; W34-F78 HydrophobicContact CB-CE1 3.72Å; W34-F78 HydrophobicContact CB-CE2 3.75Å; W34-F78 HydrophobicContact CB-CG 3.97Å; W34-F78 HydrophobicContact CB-CZ 3.62Å; W34-F78 HydrophobicContact CD2-CD1 4.47Å; W34-F78 AromaticContact CD2-CE1 3.98Å; W34-F78 HydrophobicContact CD2-CE1 3.98Å; W34-F78 HydrophobicContact CD2-CZ 4.43Å; W34-F78 AromaticContact CE3-CE1 3.91Å; W34-F78 HydrophobicContact CE3-CE1 3.91Å; W34-F78 HydrophobicContact CE3-CZ 4.16Å; W34-F78 HydrophobicContact CG-CD1 4.07Å; W34-F78 AromaticContact CG-CE1 3.91Å; W34-F78 HydrophobicContact CG-CE1 3.91Å; W34-F78 HydrophobicContact CG-CZ 4.25Å; W36-F78 AromaticContact CD1-CD2 3.92Å; W36-F78 AromaticContact CD1-CE2 3.91Å; W36-F78 HydrophobicContact CD2-CE2 4.4Å; W36-F78 AromaticContact CE2-CD2 3.87Å; W36-F78 AromaticContact CE2-CE2 3.75Å; W36-F78 HydrophobicContact CG-CE2 4.48Å; W36-F78 HydrophobicContact CZ2-CD2 4.26Å; W36-F78 HydrophobicContact CZ2-CE2 4.18Å; W36-F78 AromaticContact NE1-CD2 3.23Å; W36-F78 AromaticContact NE1-CE2 3.43Å; I51-F78 HydrophobicContact CG2-CB 4Å; I51-F78 HydrophobicContact CG2-CD2 4.34Å; I51-F78 HydrophobicContact CG2-CG 4.45Å; S70-F78 CarbonylContact O-C 3.59Å; S70-F78 WeakPolarHBondContact O-CA 3.39Å; S70-F78 WeakPolarHBondContact O-CB 3.31Å; F78-C95 HydrophobicContact CE2-CB 3.89Å; F78-C95 HydrophobicContact CZ-CB 3.54Å
79S97.5Very high95.9Very high28 Ų2845.4 Ų45.420%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-130.6154.8-172.7590000112.2L20 I69 S70L20-S79 CarbonylContact O-C 3.57Å; L20-S79 WeakPolarHBondContact O-CA 3.4Å; L20-S79 VanDerWaalsContact O-CB 3.25Å; L20-S79 WeakPolarHBondContact O-CB 3.4Å; I69-S79 VanDerWaalsContact CA-O 3.29Å; I69-S79 WeakPolarHBondContact CA-O 3.38Å; I69-S79 WeakPolarHBondContact CG2-O 3.48Å; S70-S79 PolarHBondContact N-O 2.91Å; S70-S79 PolarHBondContact O-N 2.92Å
80L98.1Very high95.9Very high1 Ų146.4 Ų46.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-119.7125.9173.9172.468.4000108.1S19 L20 W36 I48 V67 I69 Y93S19-L80 WeakPolarHBondContact CA-O 3.49Å; L20-L80 HydrophobicContact CB-CB 4.47Å; L20-L80 HydrophobicContact CD1-CD2 4.45Å; L20-L80 PolarHBondContact N-O 2.87Å; L20-L80 PolarHBondContact O-N 2.8Å; W36-L80 HydrophobicContact CB-CD2 4.22Å; W36-L80 HydrophobicContact CD2-CB 3.64Å; W36-L80 HydrophobicContact CD2-CD2 3.98Å; W36-L80 HydrophobicContact CD2-CG 4.37Å; W36-L80 HydrophobicContact CE3-CB 4.19Å; W36-L80 HydrophobicContact CE3-CD2 3.97Å; W36-L80 HydrophobicContact CG-CB 3.87Å; W36-L80 HydrophobicContact CG-CD1 4.43Å; W36-L80 HydrophobicContact CG-CD2 4.08Å; W36-L80 HydrophobicContact CG-CG 4.36Å; W36-L80 HydrophobicContact CZ2-CB 4.01Å; I48-L80 HydrophobicContact CD1-CD2 3.95Å; I48-L80 HydrophobicContact CG2-CD1 4.01Å; V67-L80 HydrophobicContact CG1-CD1 3.6Å; I69-L80 HydrophobicContact CG1-CD1 3.97Å; L80-Y93 HydrophobicContact CD2-CD1 3.94Å; L80-Y93 HydrophobicContact CD2-CE1 4.16Å
81N97.8Very high95.9Very high46 Ų4644 Ų4425%0.24627%0.272CS..EExtended strand (participates in β ladder)trans-113126163.4-68.2-64000109.3T17 L18 S19 V67 T68T17-N81 HydrophobicContact CG2-CB 4.34Å; L18-N81 CarbonylContact O-C 3.57Å; L18-N81 VanDerWaalsContact O-CA 3.23Å; L18-N81 WeakPolarHBondContact O-CA 3.41Å; S19-N81 WeakPolarHBondContact CB-OD1 3.41Å; S19-N81 PolarHBondContact OG-OD1 3.19Å; V67-N81 WeakPolarHBondContact CA-O 3.24Å; T68-N81 PolarHBondContact N-O 3Å; T68-N81 PolarHBondContact O-N 3.17Å
82L97.4Very high96Very high4 Ų443.9 Ų43.92%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-119.8113.1172.9176.769.7000108.5T17 L18 R66 V67 V85 D89T17-L82 WeakPolarHBondContact CA-O 3.45Å; L18-L82 HydrophobicContact CB-CB 4.25Å; L18-L82 PolarHBondContact N-O 2.82Å; L18-L82 PolarHBondContact O-N 3.08Å; R66-L82 HydrophobicContact CB-CD1 3.74Å; R66-L82 WeakPolarHBondContact O-CA 3.3Å; V67-L82 HydrophobicContact CG2-CD1 3.5Å; L82-V85 HydrophobicContact CD2-CG1 4.16Å; L82-V85 HydrophobicContact CG-CG1 4.12Å; L82-V85 WeakPolarHBondContact O-CG1 3.23Å; L82-D89 HydrophobicContact CD2-CB 4Å
83T97.4Very high96.1Very high51 Ų5141.5 Ų41.531%0.31326%0.258SS..  trans-87.2159.4-177.660.60000111.9T17 R66 V85T17-T83 HydrophobicContact CG2-CG2 4.11Å; R66-T83 PolarHBondContact NH1-O 2.85Å; R66-T83 PolarHBondContact O-N 3Å; R66-T83 PolarHBondContact O-OG1 2.94Å; T83-V85 VanDerWaalsContact C-N 3.33Å; T83-V85 PolarHBondContact O-N 3.44Å
84S95.9Very high96.3Very high66 Ų6639.7 Ų39.746%0.46224%0.243SC..SBendtrans51.152.5176.2-570000111.9E16 R66E16-S84 PolarHBondContact O-N 3.24Å; R66-S84 PolarHBondContact NH1-O 2.9Å
85V96.8Very high96.4Very high2 Ų234.9 Ų34.91%0.01221%0.209CC..  trans-64.6148.9-176.8-59.70000111.4L12 K13 P14 S15 E16 L18 L82 T83 D89 V114L12-V85 HydrophobicContact CB-CG2 4.2Å; L12-V85 HydrophobicContact CD1-CG2 4.27Å; K13-V85 WeakPolarHBondContact O-CG2 3.28Å; P14-V85 CarbonylContact C-O 3.6Å; P14-V85 WeakPolarHBondContact CA-O 3.37Å; S15-V85 PolarHBondContact N-O 3Å; E16-V85 HydrophobicContact CB-CG2 4.39Å; E16-V85 WeakPolarHBondContact O-CG2 3.38Å; E16-V85 PolarHBondContact O-N 3.44Å; L18-V85 HydrophobicContact CB-CG1 3.93Å; L82-V85 HydrophobicContact CD2-CG1 4.16Å; L82-V85 HydrophobicContact CG-CG1 4.12Å; L82-V85 WeakPolarHBondContact O-CG1 3.23Å; T83-V85 VanDerWaalsContact C-N 3.33Å; T83-V85 PolarHBondContact O-N 3.44Å; V85-D89 WeakPolarHBondContact CA-OD2 3.05Å; V85-D89 HydrophobicContact CB-CB 4.43Å; V85-V114 HydrophobicContact CB-CG2 4.01Å; V85-V114 HydrophobicContact CG2-CG1 3.9Å; V85-V114 HydrophobicContact CG2-CG2 3.88Å
86T96.4Very high96.4Very high65 Ų6529.2 Ų29.240%0.39919%0.185SC..  trans-127.2168.617865.40000110.2A88 D89 V114T86-A88 PolarHBondContact O-N 2.83Å; T86-A88 PolarHBondContact OG1-N 2.87Å; T86-D89 PolarHBondContact N-OD2 2.85Å; T86-D89 WeakPolarHBondContact O-CB 3.09Å; T86-D89 PolarHBondContact O-N 3.33Å; T86-D89 PolarHBondContact OG1-OD2 2.91Å; T86-V114 WeakPolarHBondContact O-CB 3.44Å; T86-V114 WeakPolarHBondContact O-CG2 3.38Å
87A96Very high96.2Very high57 Ų5726 Ų2647%0.47117%0.167SC..G310 helixtrans-52.6-30.417400000112.9D89 T90A87-D89 PolarHBondContact O-N 2.03Å; A87-T90 VanDerWaalsContact O-CB 3.27Å; A87-T90 WeakPolarHBondContact O-CB 3.44Å; A87-T90 PolarHBondContact O-N 2.66Å; A87-T90 PolarHBondContact O-OG1 3.07Å; A87-T90 VanDerWaalsContact O-OG1 3.08Å
88A94.8Very high95Very high74 Ų7426 Ų2661%0.61217%0.169SC*.G310 helixtrans-69.7-16.417700000114.2T86 T90T86-A88 PolarHBondContact O-N 2.83Å; T86-A88 PolarHBondContact OG1-N 2.87Å; A88-T90 VanDerWaalsContact C-N 3.29Å
89D96.3Very high93.4Very high3 Ų332.5 Ų32.52%0.01619%0.194CC..G310 helixtrans-85.7-1175.1-59.5-56.3000112.2R38 R66 L82 V85 T86 A87 A91 Y93 V114R38-D89 IonicContact CZ-OD1 2.75Å; R38-D89 IonicContact NH1-OD1 2.93Å; R38-D89 PolarHBondContact NH1-OD1 2.84Å; R66-D89 IonicContact CZ-OD1 3.58Å; R66-D89 IonicContact CZ-OD2 2.86Å; R66-D89 IonicContact NH1-OD1 3.65Å; R66-D89 IonicContact NH1-OD2 3.53Å; R66-D89 PolarHBondContact NH1-OD2 3.04Å; R66-D89 IonicContact NH2-OD1 3.75Å; R66-D89 PolarHBondContact NH2-OD1 2.84Å; R66-D89 IonicContact NH2-OD2 2.8Å; L82-D89 HydrophobicContact CD2-CB 4Å; V85-D89 WeakPolarHBondContact CA-OD2 3.05Å; V85-D89 HydrophobicContact CB-CB 4.43Å; T86-D89 PolarHBondContact N-OD2 2.85Å; T86-D89 WeakPolarHBondContact O-CB 3.09Å; T86-D89 PolarHBondContact O-N 3.33Å; T86-D89 PolarHBondContact OG1-OD2 2.91Å; A87-D89 PolarHBondContact O-N 2.03Å; D89-A91 PolarHBondContact O-N 2.82Å; D89-Y93 WeakPolarHBondContact O-CE2 3.25Å; D89-Y93 PolarHBondContact O-OH 3.07Å; D89-V114 HydrophobicContact CB-CG2 4.5Å
90T97.5Very high91.9Very high27 Ų2734.3 Ų34.317%0.16622%0.217CC..  trans-63118.4169.7-64.40000110.2P41 A87 A88 V112 V114P41-T90 VanDerWaalsContact CD-O 3.26Å; P41-T90 WeakPolarHBondContact CD-O 3.3Å; A87-T90 VanDerWaalsContact O-CB 3.27Å; A87-T90 WeakPolarHBondContact O-CB 3.44Å; A87-T90 PolarHBondContact O-N 2.66Å; A87-T90 PolarHBondContact O-OG1 3.07Å; A87-T90 VanDerWaalsContact O-OG1 3.08Å; A88-T90 VanDerWaalsContact C-N 3.29Å; T90-V112 WeakPolarHBondContact CA-O 3.07Å; T90-V114 PolarHBondContact OG1-N 3.48Å
91A97.5Very high89.8Confident1 Ų142.8 Ų42.81%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-166.6167-17600000111R38 Q39 P40 D89 Y93 V112R38-A91 HydrophobicContact CB-CB 3.87Å; R38-A91 HydrophobicContact CG-CB 4.42Å; Q39-A91 WeakPolarHBondContact O-CA 3.44Å; Q39-A91 WeakPolarHBondContact O-CB 3.37Å; P40-A91 HydrophobicContact CB-CB 4.5Å; P40-A91 HydrophobicContact CG-CB 4.36Å; D89-A91 PolarHBondContact O-N 2.82Å; A91-Y93 HydrophobicContact CB-CD2 4.19Å; A91-Y93 HydrophobicContact CB-CE2 3.73Å; A91-Y93 WeakPolarHBondContact O-CD2 3.36Å; A91-V112 PolarHBondContact N-O 2.91Å; A91-V112 VanDerWaalsContact N-O 3.13Å; A91-V112 PolarHBondContact O-N 3.21Å
92V97.7Very high87.9Confident39 Ų3943.1 Ų43.124%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-83.8126.3159.9-172.50000108.3R38 Q39 Y94 I110 L111R38-V92 CarbonylContact C-O 3.55Å; R38-V92 VanDerWaalsContact CA-O 3.26Å; R38-V92 WeakPolarHBondContact CA-O 3.29Å; Q39-V92 PolarHBondContact N-O 2.95Å; Q39-V92 PolarHBondContact O-N 3.41Å; V92-Y94 HydrophobicContact CB-CE2 3.89Å; V92-Y94 HydrophobicContact CG1-CD1 4.48Å; V92-Y94 HydrophobicContact CG1-CD2 4.45Å; V92-Y94 HydrophobicContact CG1-CE1 3.75Å; V92-Y94 HydrophobicContact CG1-CE2 3.73Å; V92-Y94 WeakPolarHBondContact CG1-OH 3.42Å; V92-Y94 WeakPolarHBondContact O-CE2 3.15Å; V92-I110 CarbonylContact C-O 3.46Å; V92-I110 WeakPolarHBondContact CA-O 3.37Å; V92-L111 HydrophobicContact CG2-CD1 4.14Å
93Y97.6Very high86.3Confident0 Ų046.7 Ų46.70%029%0.287CS..EExtended strand (participates in β ladder)trans-104.7130.2-179.5-73.8-103.8000110.6Q6 L18 L20 I37 R38 I48 L80 D89 A91 G109 I110 V112Q6-Y93 PolarHBondContact NE2-O 3.21Å; Q6-Y93 VanDerWaalsContact NE2-O 3.17Å; Q6-Y93 PolarHBondContact OE1-O 3.39Å; L18-Y93 HydrophobicContact CD2-CD1 4.28Å; L18-Y93 HydrophobicContact CD2-CD2 4.47Å; L18-Y93 HydrophobicContact CD2-CE1 3.84Å; L18-Y93 HydrophobicContact CD2-CE2 4.06Å; L20-Y93 VanDerWaalsContact CD1-CB 3.49Å; L20-Y93 HydrophobicContact CD1-CD1 3.97Å; L20-Y93 HydrophobicContact CD1-CD2 4.48Å; L20-Y93 HydrophobicContact CD1-CG 3.74Å; I37-Y93 CarbonylContact O-C 3.49Å; I37-Y93 WeakPolarHBondContact O-CA 3.4Å; R38-Y93 HydrophobicContact CB-CD1 3.87Å; R38-Y93 HydrophobicContact CB-CD2 4.48Å; R38-Y93 HydrophobicContact CB-CE1 3.82Å; R38-Y93 HydrophobicContact CB-CE2 4.42Å; R38-Y93 HydrophobicContact CB-CG 4.2Å; R38-Y93 HydrophobicContact CG-CE1 4.45Å; I48-Y93 HydrophobicContact CD1-CD1 3.77Å; I48-Y93 HydrophobicContact CD1-CE1 3.61Å; L80-Y93 HydrophobicContact CD2-CD1 3.94Å; L80-Y93 HydrophobicContact CD2-CE1 4.16Å; D89-Y93 WeakPolarHBondContact O-CE2 3.25Å; D89-Y93 PolarHBondContact O-OH 3.07Å; A91-Y93 HydrophobicContact CB-CD2 4.19Å; A91-Y93 HydrophobicContact CB-CE2 3.73Å; A91-Y93 WeakPolarHBondContact O-CD2 3.36Å; Y93-G109 CarbonylContact O-C 3.5Å; Y93-G109 VanDerWaalsContact O-CA 3.24Å; Y93-G109 WeakPolarHBondContact O-CA 3.06Å; Y93-I110 PolarHBondContact N-O 3.39Å; Y93-I110 PolarHBondContact O-N 3.17Å; Y93-V112 HydrophobicContact CD2-CB 3.76Å; Y93-V112 HydrophobicContact CD2-CG2 3.53Å; Y93-V112 HydrophobicContact CE2-CB 3.72Å; Y93-V112 HydrophobicContact CE2-CG1 4.38Å; Y93-V112 HydrophobicContact CE2-CG2 3.94Å; Y93-V112 HydrophobicContact CG-CG2 4.3Å
94Y96.6Very high85.3Confident40 Ų4048.1 Ų48.116%0.15729%0.293CS..EExtended strand (participates in β ladder)trans-119.2148.2-178.9-53-88.4000110.2I37 Q39 L45 V92 W106 G109I37-Y94 PolarHBondContact N-O 3.06Å; I37-Y94 PolarHBondContact O-N 3.08Å; Q39-Y94 HydrophobicContact CB-CE2 3.96Å; Q39-Y94 PolarHBondContact OE1-OH 2.88Å; L45-Y94 HydrophobicContact CD2-CD2 4.35Å; L45-Y94 HydrophobicContact CD2-CE2 4.19Å; V92-Y94 HydrophobicContact CB-CE2 3.89Å; V92-Y94 HydrophobicContact CG1-CD1 4.48Å; V92-Y94 HydrophobicContact CG1-CD2 4.45Å; V92-Y94 HydrophobicContact CG1-CE1 3.75Å; V92-Y94 HydrophobicContact CG1-CE2 3.73Å; V92-Y94 WeakPolarHBondContact CG1-OH 3.42Å; V92-Y94 WeakPolarHBondContact O-CE2 3.15Å; Y94-W106 HydrophobicContact CD1-CE3 4.09Å; Y94-W106 HydrophobicContact CD1-CZ3 4.3Å; Y94-W106 HydrophobicContact CD2-CZ3 4.11Å; Y94-W106 AromaticContact CG-CE3 3.93Å; Y94-W106 HydrophobicContact CG-CE3 3.93Å; Y94-W106 AromaticContact CG-CZ3 3.77Å; Y94-W106 HydrophobicContact CG-CZ3 3.77Å; Y94-G109 VanDerWaalsContact CD1-CA 3.43Å
95C95.1Very high84.8Confident0 Ų048.9 Ų48.90%029%0.286CS..EExtended strand (participates in β ladder)trans-112.9137.7165.770.40000107.8L4 Q6 C22 S35 W36 F78 S107L4-C95 WeakPolarHBondContact CD1-O 3.33Å; Q6-C95 HydrophobicContact CG-CB 4.12Å; Q6-C95 WeakPolarHBondContact CG-SG 3.38Å; C22-C95 HydrophobicContact CB-CB 3.43Å; C22-C95 VanDerWaalsContact CB-CB 3.43Å; C22-C95 WeakPolarHBondContact CB-SG 3.47Å; C22-C95 WeakPolarHBondContact SG-CB 3.34Å; C22-C95 CovalentContact SG-SG 2.03Å; C22-C95 PolarHBondContact SG-SG 2.9Å; S35-C95 WeakPolarHBondContact O-CA 3.35Å; W36-C95 HydrophobicContact CD2-CB 4.44Å; W36-C95 HydrophobicContact CE3-CB 4.24Å; W36-C95 HydrophobicContact CH2-CB 4.14Å; W36-C95 HydrophobicContact CZ2-CB 4.33Å; W36-C95 HydrophobicContact CZ3-CB 4.12Å; F78-C95 HydrophobicContact CE2-CB 3.89Å; F78-C95 HydrophobicContact CZ-CB 3.54Å; C95-S107 PolarHBondContact N-OG 3.33Å; C95-S107 PolarHBondContact O-N 3.05Å; C95-S107 PolarHBondContact O-OG 3.04Å; C95-S107 VanDerWaalsContact SG-CB 3.56Å
96A93.1Very high84.5Confident0 Ų053 Ų530%030%0.301CS..EExtended strand (participates in β ladder)trans-144.1157.3-173.200000111.9S35 I37 L103 Y105 W106S35-A96 PolarHBondContact N-O 2.9Å; S35-A96 PolarHBondContact O-N 3.37Å; I37-A96 HydrophobicContact CD1-CB 4.17Å; A96-L103 HydrophobicContact CB-CD2 3.94Å; A96-Y105 CarbonylContact C-O 3.54Å; A96-Y105 WeakPolarHBondContact CA-O 3.44Å; A96-Y105 WeakPolarHBondContact CB-O 3.28Å; A96-W106 HydrophobicContact CB-CD2 4.03Å; A96-W106 HydrophobicContact CB-CE3 4.34Å; A96-W106 HydrophobicContact CB-CG 4.31Å
97N88.3Confident84.4Confident0 Ų050.2 Ų50.20%029%0.285CS..EExtended strand (participates in β ladder)trans-96.4131.2167.3-169.3-73.5000109.8Y32 W34 N104 Y105Y32-N97 WeakPolarHBondContact CB-ND2 3.47Å; Y32-N97 WeakPolarHBondContact CD1-ND2 3.32Å; Y32-N97 WeakPolarHBondContact CD1-OD1 3.39Å; Y32-N97 VanDerWaalsContact CG-ND2 3.26Å; W34-N97 HydrophobicContact CE3-CB 3.89Å; W34-N97 HydrophobicContact CH2-CB 4.06Å; W34-N97 WeakPolarHBondContact CH2-ND2 3.22Å; W34-N97 WeakPolarHBondContact CZ2-ND2 3.35Å; W34-N97 HydrophobicContact CZ3-CB 3.45Å; W34-N97 VanDerWaalsContact CZ3-CB 3.45Å; W34-N97 VanDerWaalsContact CZ3-ND2 3.28Å; W34-N97 WeakPolarHBondContact CZ3-ND2 3.38Å; N97-N104 PolarHBondContact O-N 3.46Å; N97-Y105 HydrophobicContact CB-CD2 3.74Å; N97-Y105 HydrophobicContact CB-CG 4.4Å; N97-Y105 PolarHBondContact N-O 3.03Å
98L70.3Confident84.3Confident42 Ų4256.3 Ų56.322%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-107.1117.7165.9-70.6173000108.8Y33 S35 L103Y33-L98 PolarHBondContact O-N 3.05Å; S35-L98 WeakPolarHBondContact OG-CD1 3.47Å; L98-L103 HydrophobicContact CD2-CB 4.47Å; L98-L103 HydrophobicContact CD2-CD1 4.47Å; L98-L103 HydrophobicContact CD2-CD2 3.27Å; L98-L103 HydrophobicContact CD2-CG 3.44Å; L98-L103 VanDerWaalsContact CD2-CG 3.44Å; L98-L103 HydrophobicContact CG-CD2 4.06Å
99Y64.6Low84.3Confident137 Ų13754 Ų5454%0.53729%0.286SS..EExtended strand (participates in β ladder)trans-113.9107.1168-170.2-96.7000108.6Y32 D101 S102 N104Y32-Y99 AromaticContact CD1-CD2 3.6Å; Y32-Y99 HydrophobicContact CD1-CD2 3.6Å; Y32-Y99 HydrophobicContact CD1-CE2 4.37Å; Y32-Y99 HydrophobicContact CD1-CG 4.45Å; Y32-Y99 AromaticContact CE1-CD2 3.37Å; Y32-Y99 HydrophobicContact CE1-CD2 3.37Å; Y32-Y99 AromaticContact CE1-CE2 3.89Å; Y32-Y99 HydrophobicContact CE1-CE2 3.89Å; Y32-Y99 HydrophobicContact CE1-CG 4.2Å; Y99-D101 PolarHBondContact O-N 2.87Å; Y99-S102 PolarHBondContact N-O 3.01Å; Y99-S102 PolarHBondContact O-N 2.99Å; Y99-S102 VanDerWaalsContact O-N 3.09Å; Y99-S102 PolarHBondContact O-OG 3.49Å; Y99-N104 WeakPolarHBondContact CB-ND2 3.32Å
100G64.3Low84.2Confident66 Ų6655.5 Ų55.568%0.6829%0.294SS*.THydrogen-bonded Turntrans57.9-130.9-168.300000110.9S102G100-S102 VanDerWaalsContact C-N 3.32Å
101D54.8Low84.2Confident179 Ų17959.1 Ų59.196%0.95731%0.312SS*.THydrogen-bonded Turntrans-87.94.9177-61.4-38.8000113.6Y99Y99-D101 PolarHBondContact O-N 2.87Å
102S58Low84.2Confident52 Ų5259.1 Ų59.136%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-106.5125.5-175.866.20000112.7Y99 G100 N104Y99-S102 PolarHBondContact N-O 3.01Å; Y99-S102 PolarHBondContact O-N 2.99Å; Y99-S102 VanDerWaalsContact O-N 3.09Å; Y99-S102 PolarHBondContact O-OG 3.49Å; G100-S102 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.45Å; S102-N104 PolarHBondContact OG-ND2 2.8Å
103L64.6Low84.2Confident80 Ų8059.8 Ų59.842%0.41932%0.316SS..EExtended strand (participates in β ladder)trans-83.597.4171.1-83.1155.4000109.5I37 A96 L98 W106I37-L103 HydrophobicContact CD1-CD2 4.3Å; A96-L103 HydrophobicContact CB-CD2 3.94Å; L98-L103 HydrophobicContact CD2-CB 4.47Å; L98-L103 HydrophobicContact CD2-CD1 4.47Å; L98-L103 HydrophobicContact CD2-CD2 3.27Å; L98-L103 HydrophobicContact CD2-CG 3.44Å; L98-L103 VanDerWaalsContact CD2-CG 3.44Å; L98-L103 HydrophobicContact CG-CD2 4.06Å; L103-W106 HydrophobicContact CD1-CZ2 3.57Å; L103-W106 HydrophobicContact CD2-CZ2 3.57Å; L103-W106 HydrophobicContact CG-CZ2 4.07Å
104N75Confident84.1Confident80 Ų8060.1 Ų60.143%0.42832%0.318SS..EExtended strand (participates in β ladder)trans-90.1-32.3-171.2-74-41.2000114.1N97 Y99 S102N97-N104 PolarHBondContact O-N 3.46Å; Y99-N104 WeakPolarHBondContact CB-ND2 3.32Å; S102-N104 PolarHBondContact O-N 3.45Å; S102-N104 PolarHBondContact OG-ND2 2.8Å
105Y86.4Confident83.9Confident83 Ų8360.4 Ų60.433%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-136.8135-176-52.3-64.9000110.4V2 A96 N97V2-Y105 HydrophobicContact CB-CD1 3.88Å; V2-Y105 HydrophobicContact CB-CD2 4.31Å; V2-Y105 HydrophobicContact CB-CE1 3.69Å; V2-Y105 HydrophobicContact CB-CE2 4.14Å; V2-Y105 HydrophobicContact CB-CG 4.2Å; V2-Y105 HydrophobicContact CG1-CD1 4.36Å; V2-Y105 HydrophobicContact CG1-CD2 4.17Å; V2-Y105 HydrophobicContact CG1-CE2 4.34Å; V2-Y105 HydrophobicContact CG1-CG 4.19Å; V2-Y105 HydrophobicContact CG2-CE1 4.01Å; V2-Y105 HydrophobicContact CG2-CE2 4.07Å; A96-Y105 CarbonylContact C-O 3.54Å; A96-Y105 WeakPolarHBondContact CA-O 3.44Å; A96-Y105 WeakPolarHBondContact CB-O 3.28Å; N97-Y105 HydrophobicContact CB-CD2 3.74Å; N97-Y105 HydrophobicContact CB-CG 4.4Å; N97-Y105 PolarHBondContact N-O 3.03Å
106W90.8Very high83.1Confident88 Ų8868.1 Ų68.133%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-130.3147176.4-74.876.1000109.8I37 L45 Y94 A96 L103I37-W106 HydrophobicContact CB-CH2 4.49Å; I37-W106 HydrophobicContact CB-CZ3 4.47Å; I37-W106 HydrophobicContact CD1-CH2 3.41Å; I37-W106 VanDerWaalsContact CD1-CH2 3.41Å; I37-W106 HydrophobicContact CD1-CZ2 3.92Å; I37-W106 HydrophobicContact CD1-CZ3 3.96Å; I37-W106 HydrophobicContact CG2-CH2 4.28Å; I37-W106 HydrophobicContact CG2-CZ3 4.48Å; L45-W106 HydrophobicContact CD1-CH2 3.87Å; L45-W106 HydrophobicContact CD2-CH2 4.26Å; L45-W106 HydrophobicContact CD2-CZ3 4.38Å; Y94-W106 HydrophobicContact CD1-CE3 4.09Å; Y94-W106 HydrophobicContact CD1-CZ3 4.3Å; Y94-W106 HydrophobicContact CD2-CZ3 4.11Å; Y94-W106 AromaticContact CG-CE3 3.93Å; Y94-W106 HydrophobicContact CG-CE3 3.93Å; Y94-W106 AromaticContact CG-CZ3 3.77Å; Y94-W106 HydrophobicContact CG-CZ3 3.77Å; A96-W106 HydrophobicContact CB-CD2 4.03Å; A96-W106 HydrophobicContact CB-CE3 4.34Å; A96-W106 HydrophobicContact CB-CG 4.31Å; L103-W106 HydrophobicContact CD1-CZ2 3.57Å; L103-W106 HydrophobicContact CD2-CZ2 3.57Å; L103-W106 HydrophobicContact CG-CZ2 4.07Å
107S94Very high82.6Confident7 Ų771.6 Ų71.65%0.04940%0.399CS..  trans-75.8169.8161.660.80000111.7Q6 C95 G109Q6-S107 VanDerWaalsContact CD-CB 3.46Å; Q6-S107 PolarHBondContact OE1-OG 2.9Å; C95-S107 PolarHBondContact N-OG 3.33Å; C95-S107 PolarHBondContact O-N 3.05Å; C95-S107 PolarHBondContact O-OG 3.04Å; C95-S107 VanDerWaalsContact SG-CB 3.56Å; S107-G109 PolarHBondContact O-N 3.05Å
108Q93.1Very high82.3Confident185 Ų18575.3 Ų75.386%0.86442%0.42SS*.  trans-69.7-16.8172.7-63.6-60.9-55.500113.3
109G94.3Very high83Confident24 Ų2477.2 Ų77.225%0.24743%0.431CS..  trans86.6153.9-175.200000113Q6 Y93 Y94 S107Q6-G109 VanDerWaalsContact OE1-CA 3.24Å; Y93-G109 CarbonylContact O-C 3.5Å; Y93-G109 VanDerWaalsContact O-CA 3.24Å; Y93-G109 WeakPolarHBondContact O-CA 3.06Å; Y94-G109 VanDerWaalsContact CD1-CA 3.43Å; S107-G109 PolarHBondContact O-N 3.05Å
110I95.4Very high84.1Confident35 Ų3573.6 Ų73.618%0.17943%0.425CS..EExtended strand (participates in β ladder)trans-125128.6171.8-170169.1000109.7L20 V92 Y93 V112L20-I110 HydrophobicContact CD1-CG2 3.96Å; L20-I110 HydrophobicContact CD2-CD1 4.44Å; L20-I110 HydrophobicContact CD2-CG2 3.85Å; V92-I110 CarbonylContact C-O 3.46Å; V92-I110 WeakPolarHBondContact CA-O 3.37Å; Y93-I110 PolarHBondContact N-O 3.39Å; Y93-I110 PolarHBondContact O-N 3.17Å; I110-V112 HydrophobicContact CG2-CG2 4.32Å; I110-V112 PolarHBondContact O-N 3.32Å
111L96.7Very high85.3Confident104 Ų10474.1 Ų74.155%0.54541%0.409SS..EExtended strand (participates in β ladder)trans-74.2121172.2177.762.5000108.9V92V92-L111 HydrophobicContact CG2-CD1 4.14Å
112V97.5Very high87.3Confident1 Ų167.1 Ų67.11%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-109.9125.1170.7179.70000108G10 L12 L18 L20 T90 A91 Y93 I110G10-V112 WeakPolarHBondContact O-CA 3.17Å; L12-V112 HydrophobicContact CD1-CG1 4.15Å; L18-V112 HydrophobicContact CD1-CB 4.46Å; L18-V112 HydrophobicContact CD1-CG1 3.79Å; L18-V112 HydrophobicContact CD1-CG2 3.8Å; L18-V112 HydrophobicContact CD2-CG1 4.11Å; L18-V112 HydrophobicContact CD2-CG2 4.2Å; L18-V112 HydrophobicContact CG-CG1 4.5Å; L20-V112 HydrophobicContact CD1-CG2 4.34Å; L20-V112 HydrophobicContact CD2-CG2 4.33Å; T90-V112 WeakPolarHBondContact CA-O 3.07Å; A91-V112 PolarHBondContact N-O 2.91Å; A91-V112 VanDerWaalsContact N-O 3.13Å; A91-V112 PolarHBondContact O-N 3.21Å; Y93-V112 HydrophobicContact CD2-CB 3.76Å; Y93-V112 HydrophobicContact CD2-CG2 3.53Å; Y93-V112 HydrophobicContact CE2-CB 3.72Å; Y93-V112 HydrophobicContact CE2-CG1 4.38Å; Y93-V112 HydrophobicContact CE2-CG2 3.94Å; Y93-V112 HydrophobicContact CG-CG2 4.3Å; I110-V112 HydrophobicContact CG2-CG2 4.32Å; I110-V112 PolarHBondContact O-N 3.32Å
113T97.1Very high89.4Confident52 Ų5268.2 Ų68.232%0.31937%0.373SS..EExtended strand (participates in β ladder)trans-112.2129.9176.2-54.10000109.7G10 L11 L12G10-T113 PolarHBondContact O-N 3.12Å; L11-T113 CarbonylContact C-O 3.59Å; L11-T113 WeakPolarHBondContact CA-O 3.15Å; L11-T113 HydrophobicContact CD1-CG2 3.99Å; L12-T113 PolarHBondContact N-O 2.76Å
114V96.8Very high91.3Very high7 Ų767.3 Ų67.34%0.04237%0.369CS..EExtended strand (participates in β ladder)trans-107.6114.3170.2-174.20000107.9L12 P14 V85 T86 D89 T90L12-V114 HydrophobicContact CB-CG2 4.42Å; L12-V114 CarbonylContact O-C 3.5Å; L12-V114 VanDerWaalsContact O-CA 3.3Å; L12-V114 WeakPolarHBondContact O-CA 3.2Å; P14-V114 HydrophobicContact CG-CG1 4.43Å; V85-V114 HydrophobicContact CB-CG2 4.01Å; V85-V114 HydrophobicContact CG2-CG1 3.9Å; V85-V114 HydrophobicContact CG2-CG2 3.88Å; T86-V114 WeakPolarHBondContact O-CB 3.44Å; T86-V114 WeakPolarHBondContact O-CG2 3.38Å; D89-V114 HydrophobicContact CB-CG2 4.5Å; T90-V114 PolarHBondContact OG1-N 3.48Å
115S91.9Very high92.7Very high47 Ų4766.3 Ų66.333%0.32936%0.364SS..  trans-63.7139.9179.862.10000110.6L12 P14L12-S115 PolarHBondContact O-N 2.6Å; L12-S115 PolarHBondContact O-OG 3.49Å; P14-S115 WeakPolarHBondContact CD-O 3.45Å; P14-S115 WeakPolarHBondContact CG-O 3.4Å
116S78.4Confident93.3Very high162 Ų16264.7 Ų64.7100%1.13337%0.368SS*.  trans-72.6017057.30000112.3

Retrieved 116 of 116 residues in 257.3 ms (Link to these results)

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