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Immunoglobulin heavy variable 1-62-2

AlphaFold DB , UniProt , Accession A0A075B680, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-62-2, Length 100 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
1Q88.7Confident96.1Very high194 Ų19497.2 Ų97.291%0.90755%0.55SS**  0133.60-172.2178.214.600108Q3 G26Q1-Q3 VanDerWaalsContact CD-NE2 3.28Å; Q1-Q3 HydrophobicContact CG-CG 4.41Å; Q1-G26 WeakPolarHBondContact O-CA 3.2Å
2V94.3Very high96Very high68 Ų6893.9 Ų93.941%0.41253%0.533SS..  trans-81.6130.6178.4172.10000109.4Y27V2-Y27 HydrophobicContact CG1-CD1 3.85Å; V2-Y27 HydrophobicContact CG1-CE1 4.22Å
3Q97.1Very high96Very high88 Ų88100.2 Ų100.241%0.41155%0.551SS.*EExtended strand (participates in β ladder)trans-144.1150.9-179.2-65.7-63.9-14.300112.6Q1 S25Q1-Q3 VanDerWaalsContact CD-NE2 3.28Å; Q1-Q3 HydrophobicContact CG-CG 4.41Å; Q3-S25 PolarHBondContact N-O 2.54Å; Q3-S25 PolarHBondContact O-N 2.74Å
4L97.9Very high96Very high46 Ų46101.3 Ų101.324%0.24157%0.565CS.*EExtended strand (participates in β ladder)trans-124.6119.1166.3-65.1-179.2000108.4K23 A24 Y27 I34 R98L4-K23 CarbonylContact C-O 3.54Å; L4-K23 WeakPolarHBondContact CA-O 3.47Å; L4-A24 HydrophobicContact CD2-CB 3.93Å; L4-Y27 HydrophobicContact CD2-CE1 4.34Å; L4-Y27 WeakPolarHBondContact CD2-OH 3.33Å; L4-I34 HydrophobicContact CD2-CD1 4.32Å; L4-R98 HydrophobicContact CD1-CB 4.15Å
5Q98.2Very high96.1Very high137 Ų13798.1 Ų98.164%0.6457%0.565SS**EExtended strand (participates in β ladder)trans-109.7116.7179.6-178.859.560.600110.1K23Q5-K23 PolarHBondContact N-O 3.46Å; Q5-K23 PolarHBondContact O-N 2.96Å
6Q98.4Very high96.2Very high48 Ų4894.1 Ų94.122%0.22455%0.547CS..EExtended strand (participates in β ladder)trans-89.2159.9177-73.2-178.8-122.100113S21 C22 Y94 C96Q6-S21 CarbonylContact C-O 3.57Å; Q6-S21 WeakPolarHBondContact CA-O 3.1Å; Q6-C22 HydrophobicContact CG-CB 4.24Å; Q6-Y94 PolarHBondContact NE2-O 3.43Å; Q6-C96 HydrophobicContact CG-CB 4.42Å; Q6-C96 WeakPolarHBondContact CG-SG 3.4Å; Q6-C96 PolarHBondContact OE1-SG 2.97Å
7S96.9Very high96.3Very high37 Ų3792.2 Ų92.226%0.25954%0.54SS..  trans-60.6158.1165.149.40000110.9L20 S21S7-L20 WeakPolarHBondContact OG-CA 3.34Å; S7-S21 WeakPolarHBondContact CB-OG 3.26Å; S7-S21 PolarHBondContact N-O 2.8Å; S7-S21 PolarHBondContact OG-N 3.47Å; S7-S21 VanDerWaalsContact OG-N 3.12Å
8G96.9Very high96.3Very high61 Ų6187.9 Ų87.963%0.62952%0.515SS*.  trans-67.6177.3177.900000113.2
9A96.6Very high96.4Very high113 Ų11388.8 Ų88.893%0.93451%0.512SS*.  trans-65.4139.817500000111.2
10E95.5Very high96.5Very high101 Ų10185.3 Ų85.347%0.47249%0.491SS..  trans-123135178-66.3-172.1-131.800110.2V18E10-V18 HydrophobicContact CB-CG2 3.89Å; E10-V18 VanDerWaalsContact CD-CG2 3.44Å; E10-V18 HydrophobicContact CG-CG2 4.22Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.35Å
11L96.1Very high96.6Very high176 Ų17682.7 Ų82.792%0.92148%0.478SS*.  trans-110.3120.1172.2-17765.9000108.7
12V95.8Very high97.1Very high58 Ų5873.5 Ų73.535%0.35244%0.435SS..  trans-129.2157-174.8-62.10000110.9A16 V18 L86V12-A16 HydrophobicContact CB-CB 4.15Å; V12-V18 HydrophobicContact CG1-CB 4.47Å; V12-V18 HydrophobicContact CG1-CG2 4.4Å; V12-L86 HydrophobicContact CG2-CD1 3.5Å; V12-L86 VanDerWaalsContact CG2-CD1 3.5Å
13K96Very high97.3Very high175 Ų17575.8 Ų75.876%0.76144%0.44SS*.  trans-77152.5176.7-65-179.9-178.31780110.6G15 A16K13-G15 PolarHBondContact O-N 2.99Å; K13-A16 WeakPolarHBondContact O-CB 3.34Å; K13-A16 PolarHBondContact O-N 3.28Å; K13-A16 VanDerWaalsContact O-N 3.11Å
14P95.7Very high97.3Very high116 Ų11671.9 Ų71.975%0.75342%0.423SS*.THydrogen-bonded Turntrans-52.6139.6168.4-25.234.7000111.6A16P14-A16 VanDerWaalsContact C-N 3.27Å; P14-A16 PolarHBondContact O-N 3.32Å
15G97.1Very high97.3Very high54 Ų5472.7 Ų72.756%0.55743%0.432SS*.THydrogen-bonded Turntrans84-14-175.800000115K13 L86K13-G15 PolarHBondContact O-N 2.99Å; G15-L86 PolarHBondContact N-O 2.85Å
16A97.9Very high97.3Very high34 Ų3468.7 Ų68.728%0.28143%0.428SS..  trans-71171177.200000112.4V12 K13 P14 R85 L86V12-A16 HydrophobicContact CB-CB 4.15Å; K13-A16 WeakPolarHBondContact O-CB 3.34Å; K13-A16 PolarHBondContact O-N 3.28Å; K13-A16 VanDerWaalsContact O-N 3.11Å; P14-A16 VanDerWaalsContact C-N 3.27Å; P14-A16 PolarHBondContact O-N 3.32Å; A16-R85 PolarHBondContact O-N 2.83Å; A16-L86 WeakPolarHBondContact O-CB 3.11Å; A16-L86 WeakPolarHBondContact O-CG 3.36Å; A16-L86 PolarHBondContact O-N 2.02Å
17S97.5Very high97.1Very high61 Ų6168.3 Ų68.343%0.42743%0.425SS..  trans-111.6154168.6-56.90000110.4L83 S84S17-L83 CarbonylContact C-O 3.49Å; S17-L83 WeakPolarHBondContact CA-O 3.46Å; S17-L83 WeakPolarHBondContact CB-O 3.14Å; S17-S84 WeakPolarHBondContact OG-CA 3.44Å
18V97.6Very high97.1Very high15 Ų1569.9 Ų69.99%0.09143%0.433CS..EExtended strand (participates in β ladder)trans-132.1143.9175.373.40000109.5E10 V12 L20 E82 L83 L86E10-V18 HydrophobicContact CB-CG2 3.89Å; E10-V18 VanDerWaalsContact CD-CG2 3.44Å; E10-V18 HydrophobicContact CG-CG2 4.22Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.35Å; V12-V18 HydrophobicContact CG1-CB 4.47Å; V12-V18 HydrophobicContact CG1-CG2 4.4Å; V18-L20 HydrophobicContact CG2-CD2 4.01Å; V18-E82 CarbonylContact O-C 3.59Å; V18-E82 VanDerWaalsContact O-CA 3.26Å; V18-E82 WeakPolarHBondContact O-CA 3.33Å; V18-L83 HydrophobicContact CG1-CB 4.06Å; V18-L83 HydrophobicContact CG1-CD1 4.36Å; V18-L83 PolarHBondContact N-O 2.88Å; V18-L83 PolarHBondContact O-N 2.77Å; V18-L86 HydrophobicContact CB-CD1 3.96Å; V18-L86 HydrophobicContact CG1-CD1 3.79Å
19K97.9Very high97.1Very high105 Ų10567.4 Ų67.446%0.45741%0.405SS..EExtended strand (participates in β ladder)trans-122.1102.3177.8-174.9175.4-1791740110.7Y80 M81 E82K19-Y80 HydrophobicContact CD-CD1 4.43Å; K19-Y80 HydrophobicContact CG-CD1 4.3Å; K19-M81 CarbonylContact C-O 3.56Å; K19-M81 WeakPolarHBondContact CA-O 3.18Å; K19-E82 HydrophobicContact CG-CB 4.46Å
20L98.3Very high97.2Very high19 Ų1964.7 Ų64.710%0.09938%0.376CS..EExtended strand (participates in β ladder)trans-84.5143.8177.4-53-175.9000110.6S7 V18 W36 Y80 M81 Y94S7-L20 WeakPolarHBondContact OG-CA 3.34Å; V18-L20 HydrophobicContact CG2-CD2 4.01Å; L20-W36 HydrophobicContact CB-CH2 3.85Å; L20-W36 HydrophobicContact CB-CZ3 4.08Å; L20-W36 HydrophobicContact CD1-CZ3 4.32Å; L20-Y80 CarbonylContact O-C 3.53Å; L20-Y80 WeakPolarHBondContact O-CA 3.34Å; L20-M81 HydrophobicContact CD1-CE 3.63Å; L20-M81 HydrophobicContact CG-CE 4.34Å; L20-M81 PolarHBondContact N-O 2.93Å; L20-M81 PolarHBondContact O-N 3.11Å; L20-Y94 HydrophobicContact CD1-CD2 4.12Å; L20-Y94 HydrophobicContact CD1-CG 3.87Å
21S98.5Very high97.2Very high31 Ų3165 Ų6522%0.21738%0.378CS..EExtended strand (participates in β ladder)trans-113.3149174.368.90000111.2Q6 S7 V79Q6-S21 CarbonylContact C-O 3.57Å; Q6-S21 WeakPolarHBondContact CA-O 3.1Å; S7-S21 WeakPolarHBondContact CB-OG 3.26Å; S7-S21 PolarHBondContact N-O 2.8Å; S7-S21 PolarHBondContact OG-N 3.47Å; S7-S21 VanDerWaalsContact OG-N 3.12Å; S21-V79 CarbonylContact C-O 3.56Å
22C98.6Very high97.3Very high1 Ų158.8 Ų58.81%0.00734%0.342CS..EExtended strand (participates in β ladder)trans-135.6103.9170.7177.70000109.2Q6 W36 T78 V79 C96Q6-C22 HydrophobicContact CG-CB 4.24Å; C22-W36 HydrophobicContact CB-CH2 3.82Å; C22-W36 HydrophobicContact CB-CZ2 3.75Å; C22-T78 WeakPolarHBondContact O-CA 3.41Å; C22-V79 PolarHBondContact N-O 2.98Å; C22-V79 PolarHBondContact O-N 3.5Å; C22-C96 HydrophobicContact CB-CB 3.47Å; C22-C96 VanDerWaalsContact CB-CB 3.47Å; C22-C96 WeakPolarHBondContact CB-SG 3.15Å; C22-C96 WeakPolarHBondContact SG-CB 3.28Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.25Å
23K98.5Very high97.4Very high115 Ų11556.7 Ų56.750%0.533%0.33SS..EExtended strand (participates in β ladder)trans-92.1124.9-179.4-175.5174.5-177.1176.60110.6L4 Q5 T78L4-K23 CarbonylContact C-O 3.54Å; L4-K23 WeakPolarHBondContact CA-O 3.47Å; Q5-K23 PolarHBondContact N-O 3.46Å; Q5-K23 PolarHBondContact O-N 2.96Å; K23-T78 HydrophobicContact CB-CG2 4.49Å
24A98.2Very high97.5Very high7 Ų748.4 Ų48.46%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-91.6142.917800000112.3L4 Y27 F29 S77L4-A24 HydrophobicContact CD2-CB 3.93Å; A24-Y27 HydrophobicContact CB-CE1 3.71Å; A24-Y27 HydrophobicContact CB-CE2 4.47Å; A24-Y27 WeakPolarHBondContact CB-OH 3.29Å; A24-F29 HydrophobicContact CB-CD2 3.52Å; A24-F29 HydrophobicContact CB-CE2 4.03Å; A24-F29 HydrophobicContact CB-CG 4.42Å; A24-S77 PolarHBondContact N-O 3.02Å
25S97.7Very high97.6Very high62 Ų6244.8 Ų44.843%0.43427%0.267SS..EExtended strand (participates in β ladder)trans-149.4156.7169.865.70000112.4Q3 Y27Q3-S25 PolarHBondContact N-O 2.54Å; Q3-S25 PolarHBondContact O-N 2.74Å; S25-Y27 WeakPolarHBondContact O-CD1 3.46Å
26G97.2Very high97.7Very high54 Ų5442.2 Ų42.256%0.55724%0.241SC*.SBendtrans83.512.8176.800000115.9Q1Q1-G26 WeakPolarHBondContact O-CA 3.2Å
27Y95.6Very high97.7Very high40 Ų4042 Ų4216%0.15724%0.235CC..SBendtrans-156.6168.2173.566.4-83.3000110.9V2 L4 A24 S25 F29 Y32 I34 R98V2-Y27 HydrophobicContact CG1-CD1 3.85Å; V2-Y27 HydrophobicContact CG1-CE1 4.22Å; L4-Y27 HydrophobicContact CD2-CE1 4.34Å; L4-Y27 WeakPolarHBondContact CD2-OH 3.33Å; A24-Y27 HydrophobicContact CB-CE1 3.71Å; A24-Y27 HydrophobicContact CB-CE2 4.47Å; A24-Y27 WeakPolarHBondContact CB-OH 3.29Å; S25-Y27 WeakPolarHBondContact O-CD1 3.46Å; Y27-F29 PolarHBondContact O-N 3.33Å; Y27-F29 VanDerWaalsContact O-N 3.08Å; Y27-Y32 AromaticContact CD2-CD2 3.32Å; Y27-Y32 HydrophobicContact CD2-CD2 3.32Å; Y27-Y32 AromaticContact CD2-CE2 3.71Å; Y27-Y32 HydrophobicContact CD2-CE2 3.71Å; Y27-Y32 HydrophobicContact CD2-CG 4.13Å; Y27-Y32 AromaticContact CE2-CD2 3.64Å; Y27-Y32 HydrophobicContact CE2-CD2 3.64Å; Y27-Y32 HydrophobicContact CE2-CE2 4.44Å; Y27-Y32 HydrophobicContact CE2-CG 4.05Å; Y27-Y32 HydrophobicContact CG-CD2 4.38Å; Y27-Y32 HydrophobicContact CG-CE2 4.41Å; Y27-I34 WeakPolarHBondContact OH-CD1 3.3Å; Y27-R98 VanDerWaalsContact CE2-CD 3.46Å; Y27-R98 HydrophobicContact CE2-CG 4.24Å; Y27-R98 VanDerWaalsContact CG-NH1 3.32Å
28T96.6Very high97.7Very high69 Ų6939.3 Ų39.342%0.42322%0.216SC..  trans-70.899.5173.7-500000109.9T30 E31T28-T30 PolarHBondContact O-N 2.91Å; T28-E31 VanDerWaalsContact CB-CD 3.46Å; T28-E31 WeakPolarHBondContact CB-OE2 3.32Å; T28-E31 HydrophobicContact CG2-CB 4.46Å; T28-E31 HydrophobicContact CG2-CG 3.7Å; T28-E31 PolarHBondContact O-N 2.88Å
29F97Very high97.7Very high10 Ų1042.5 Ų42.54%0.04423%0.23CC..G310 helixtrans-52.3-34.7-174.1174.2-118.4000114.3A24 Y27 E31 I34 P53 A72 V79A24-F29 HydrophobicContact CB-CD2 3.52Å; A24-F29 HydrophobicContact CB-CE2 4.03Å; A24-F29 HydrophobicContact CB-CG 4.42Å; Y27-F29 PolarHBondContact O-N 3.33Å; Y27-F29 VanDerWaalsContact O-N 3.08Å; F29-E31 VanDerWaalsContact C-N 3.27Å; F29-E31 PolarHBondContact O-N 2.77Å; F29-I34 HydrophobicContact CE2-CG1 4.14Å; F29-P53 HydrophobicContact CD1-CB 3.83Å; F29-P53 HydrophobicContact CD1-CG 4.13Å; F29-P53 HydrophobicContact CD2-CG 4.21Å; F29-P53 HydrophobicContact CE1-CB 3.45Å; F29-P53 VanDerWaalsContact CE1-CB 3.45Å; F29-P53 HydrophobicContact CE1-CG 3.62Å; F29-P53 HydrophobicContact CE2-CB 4.44Å; F29-P53 HydrophobicContact CE2-CG 3.72Å; F29-P53 HydrophobicContact CG-CB 4.48Å; F29-P53 HydrophobicContact CG-CG 4.42Å; F29-P53 HydrophobicContact CZ-CB 3.82Å; F29-P53 HydrophobicContact CZ-CG 3.4Å; F29-P53 VanDerWaalsContact CZ-CG 3.4Å; F29-A72 HydrophobicContact CZ-CB 4.45Å; F29-V79 HydrophobicContact CE2-CG2 3.8Å; F29-V79 HydrophobicContact CZ-CG2 3.54Å
30T97.3Very high97.4Very high55 Ų5541.1 Ų41.134%0.33722%0.222SC..G310 helixtrans-76.6-7-178.150.60000114.9T28 Y52 P53 G54 K74T28-T30 PolarHBondContact O-N 2.91Å; T30-Y52 WeakPolarHBondContact O-CE2 3.34Å; T30-P53 HydrophobicContact CG2-CB 4.46Å; T30-G54 WeakPolarHBondContact O-CA 3.41Å; T30-G54 PolarHBondContact O-N 2.83Å; T30-K74 HydrophobicContact CG2-CD 4.28Å
31E97Very high96.9Very high108 Ų10846.2 Ų46.251%0.50526%0.259SS..G310 helixtrans-94.5-4.8-178.9-69.9176.1-178.100113.5T28 F29T28-E31 VanDerWaalsContact CB-CD 3.46Å; T28-E31 WeakPolarHBondContact CB-OE2 3.32Å; T28-E31 HydrophobicContact CG2-CB 4.46Å; T28-E31 HydrophobicContact CG2-CG 3.7Å; T28-E31 PolarHBondContact O-N 2.88Å; F29-E31 VanDerWaalsContact C-N 3.27Å; F29-E31 PolarHBondContact O-N 2.77Å
32Y97.4Very high96.5Very high45 Ų4548.8 Ų48.818%0.17629%0.291CS..SBendtrans-131.1148.1-174.7-64.7-94.8000112.1Y27 P53 R98 E100Y27-Y32 AromaticContact CD2-CD2 3.32Å; Y27-Y32 HydrophobicContact CD2-CD2 3.32Å; Y27-Y32 AromaticContact CD2-CE2 3.71Å; Y27-Y32 HydrophobicContact CD2-CE2 3.71Å; Y27-Y32 HydrophobicContact CD2-CG 4.13Å; Y27-Y32 AromaticContact CE2-CD2 3.64Å; Y27-Y32 HydrophobicContact CE2-CD2 3.64Å; Y27-Y32 HydrophobicContact CE2-CE2 4.44Å; Y27-Y32 HydrophobicContact CE2-CG 4.05Å; Y27-Y32 HydrophobicContact CG-CD2 4.38Å; Y27-Y32 HydrophobicContact CG-CE2 4.41Å; Y32-P53 WeakPolarHBondContact O-CD 3.37Å; Y32-R98 VanDerWaalsContact CB-CG 3.49Å; Y32-R98 HydrophobicContact CD1-CG 3.82Å; Y32-R98 HydrophobicContact CG-CG 3.78Å; Y32-E100 HydrophobicContact CD1-CG 4.08Å; Y32-E100 HydrophobicContact CE1-CG 3.64Å
33T97.8Very high96Very high15 Ų1553.3 Ų53.39%0.09231%0.312CS..EExtended strand (participates in β ladder)trans-80.4145.2169.8630000110.8H35 W50 Y52 R98 H99T33-H35 PolarHBondContact OG1-CD2 3.11Å; T33-H35 PolarHBondContact OG1-NE2 2.95Å; T33-H35 VanDerWaalsContact OG1-NE2 3.13Å; T33-W50 HydrophobicContact CG2-CE3 4.19Å; T33-W50 HydrophobicContact CG2-CZ3 4.5Å; T33-Y52 HydrophobicContact CG2-CD2 3.92Å; T33-Y52 HydrophobicContact CG2-CG 3.98Å; T33-R98 WeakPolarHBondContact O-CA 3.47Å; T33-H99 PolarHBondContact N-O 3.05Å; T33-H99 PolarHBondContact O-N 3.49Å; T33-H99 PolarHBondContact OG1-O 3.24Å; T33-H99 VanDerWaalsContact OG1-O 3.06Å
34I98.3Very high95.6Very high1 Ų150.5 Ų50.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-111.2117.9171.3-55-54.2000109L4 Y27 F29 W50 F51 V79 C96 A97 R98L4-I34 HydrophobicContact CD2-CD1 4.32Å; Y27-I34 WeakPolarHBondContact OH-CD1 3.3Å; F29-I34 HydrophobicContact CE2-CG1 4.14Å; I34-W50 CarbonylContact O-C 3.55Å; I34-W50 WeakPolarHBondContact O-CA 3.49Å; I34-W50 WeakPolarHBondContact O-CB 3.34Å; I34-F51 PolarHBondContact N-O 2.91Å; I34-F51 PolarHBondContact O-N 2.92Å; I34-V79 HydrophobicContact CB-CB 4.24Å; I34-V79 HydrophobicContact CB-CG1 4.42Å; I34-V79 HydrophobicContact CB-CG2 3.8Å; I34-V79 HydrophobicContact CG1-CB 4.43Å; I34-V79 HydrophobicContact CG1-CG2 3.63Å; I34-V79 HydrophobicContact CG2-CB 4.13Å; I34-V79 HydrophobicContact CG2-CG1 4.35Å; I34-V79 HydrophobicContact CG2-CG2 4.21Å; I34-C96 HydrophobicContact CG2-CB 4.06Å; I34-A97 CarbonylContact C-O 3.6Å; I34-A97 WeakPolarHBondContact CA-O 3.48Å; I34-R98 HydrophobicContact CD1-CB 4.07Å; I34-R98 HydrophobicContact CD1-CG 4.14Å
35H98.4Very high95.5Very high40 Ų4055.8 Ų55.819%0.18534%0.342CS..EExtended strand (participates in β ladder)trans-93.1147.4177.2-67.8-112.5000110.6T33 W47 G49 W50 C96 A97T33-H35 PolarHBondContact OG1-CD2 3.11Å; T33-H35 PolarHBondContact OG1-NE2 2.95Å; T33-H35 VanDerWaalsContact OG1-NE2 3.13Å; H35-W47 AromaticContact ND1-CD1 3.87Å; H35-W47 AromaticContact ND1-NE1 3.19Å; H35-W47 PolarHBondContact ND1-NE1 3.12Å; H35-W47 VanDerWaalsContact ND1-NE1 3.19Å; H35-G49 WeakPolarHBondContact CA-O 3.46Å; H35-W50 HydrophobicContact CB-CB 4.45Å; H35-W50 AromaticContact CE1-CD1 3.54Å; H35-W50 AromaticContact CE1-CG 3.93Å; H35-W50 AromaticContact ND1-CD1 3.98Å; H35-C96 CarbonylContact O-C 3.41Å; H35-C96 WeakPolarHBondContact O-CA 3.36Å; H35-A97 PolarHBondContact N-O 3.21Å; H35-A97 PolarHBondContact O-N 3.01Å
36W98.5Very high95.5Very high0 Ų054.6 Ų54.60%033%0.33CS..EExtended strand (participates in β ladder)trans-112.5134167.4-72.195.4000110.4L20 C22 I48 G49 L70 M81 F95 C96L20-W36 HydrophobicContact CB-CH2 3.85Å; L20-W36 HydrophobicContact CB-CZ3 4.08Å; L20-W36 HydrophobicContact CD1-CZ3 4.32Å; C22-W36 HydrophobicContact CB-CH2 3.82Å; C22-W36 HydrophobicContact CB-CZ2 3.75Å; W36-I48 HydrophobicContact CB-CB 4.08Å; W36-I48 HydrophobicContact CB-CD1 4.25Å; W36-I48 WeakPolarHBondContact O-CB 3.41Å; W36-I48 PolarHBondContact O-N 3.42Å; W36-G49 PolarHBondContact N-O 3.18Å; W36-L70 VanDerWaalsContact CD1-CD2 3.47Å; W36-L70 HydrophobicContact CG-CD2 4.22Å; W36-M81 HydrophobicContact CB-SD 3.92Å; W36-M81 HydrophobicContact CD2-CB 3.74Å; W36-M81 HydrophobicContact CD2-CE 4.26Å; W36-M81 HydrophobicContact CD2-CG 4.49Å; W36-M81 HydrophobicContact CD2-SD 4.07Å; W36-M81 HydrophobicContact CE3-CB 4.27Å; W36-M81 HydrophobicContact CE3-CE 3.89Å; W36-M81 HydrophobicContact CE3-SD 4.27Å; W36-M81 HydrophobicContact CG-CB 4.07Å; W36-M81 HydrophobicContact CG-CG 4.49Å; W36-M81 HydrophobicContact CG-SD 3.93Å; W36-M81 HydrophobicContact CH2-CB 4.39Å; W36-M81 HydrophobicContact CZ2-CB 3.89Å; W36-M81 HydrophobicContact CZ3-CE 4.33Å; W36-F95 WeakPolarHBondContact CA-O 3.44Å; W36-C96 HydrophobicContact CD2-CB 4.31Å; W36-C96 HydrophobicContact CE3-CB 4.15Å; W36-C96 HydrophobicContact CH2-CB 4.17Å; W36-C96 HydrophobicContact CZ2-CB 4.3Å; W36-C96 HydrophobicContact CZ3-CB 4.08Å
37V98.1Very high95.5Very high28 Ų2855.5 Ų55.517%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-132.9134.2-178.1-1760000109.2L45 E46 Y94 F95V37-L45 HydrophobicContact CG1-CB 3.89Å; V37-L45 HydrophobicContact CG1-CD2 4Å; V37-L45 HydrophobicContact CG1-CG 4.4Å; V37-E46 CarbonylContact C-O 3.54Å; V37-E46 WeakPolarHBondContact CA-O 3.15Å; V37-Y94 CarbonylContact O-C 3.57Å; V37-Y94 WeakPolarHBondContact O-CA 3.49Å; V37-F95 PolarHBondContact N-O 3.01Å; V37-F95 PolarHBondContact O-N 2.81Å
38K97.5Very high95.6Very high6 Ų653.6 Ų53.63%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-98.9136.3174-179.7-175.8177.7-169.90109.8E46 I48 F64 E89 A92 Y94K38-E46 HydrophobicContact CB-CB 4.29Å; K38-E46 PolarHBondContact N-O 3.02Å; K38-E46 IonicContact NZ-OE2 2.77Å; K38-E46 PolarHBondContact O-N 2.63Å; K38-I48 HydrophobicContact CB-CD1 4.1Å; K38-I48 HydrophobicContact CB-CG1 4.29Å; K38-F64 HydrophobicContact CD-CE1 4.09Å; K38-F64 HydrophobicContact CD-CZ 4.01Å; K38-E89 WeakPolarHBondContact CE-O 3.44Å; K38-E89 PolarHBondContact NZ-O 2.87Å; K38-A92 HydrophobicContact CD-CB 4.18Å; K38-A92 HydrophobicContact CG-CB 3.53Å; K38-Y94 HydrophobicContact CB-CD1 4.05Å; K38-Y94 HydrophobicContact CB-CE1 3.8Å; K38-Y94 HydrophobicContact CD-CE1 4.01Å; K38-Y94 HydrophobicContact CG-CD1 4.28Å; K38-Y94 HydrophobicContact CG-CE1 3.72Å
39Q96.8Very high95.7Very high82 Ų8250.3 Ų50.338%0.38329%0.289SS..EExtended strand (participates in β ladder)trans-126115.7171.3-171.4-179.326.400109.9L45 A92 V93 F95Q39-L45 HydrophobicContact CB-CD2 3.73Å; Q39-L45 HydrophobicContact CG-CD2 3.81Å; Q39-A92 VanDerWaalsContact O-CB 3.32Å; Q39-A92 WeakPolarHBondContact O-CB 3.4Å; Q39-V93 PolarHBondContact N-O 2.8Å; Q39-V93 PolarHBondContact O-N 2.96Å; Q39-F95 HydrophobicContact CB-CD2 4.33Å; Q39-F95 HydrophobicContact CB-CE2 3.81Å; Q39-F95 VanDerWaalsContact OE1-CE2 3.23Å
40R92.7Very high95.8Very high76 Ų7652.7 Ų52.729%0.28730%0.298SS..  trans-101.5141.3173-176.4170.9-179.3-179.44.2109.8G42 Q43 A92R40-G42 PolarHBondContact O-N 2.75Å; R40-Q43 HydrophobicContact CB-CB 4.12Å; R40-Q43 HydrophobicContact CB-CG 4.35Å; R40-Q43 HydrophobicContact CG-CG 4.4Å; R40-Q43 PolarHBondContact O-N 2.94Å; R40-A92 HydrophobicContact CB-CB 4.41Å
41S88.2Confident95.8Very high125 Ų12551 Ų5187%0.87429%0.286SS*.THydrogen-bonded Turntrans-56.9128.3177.2-170.20000110.5Q43S41-Q43 VanDerWaalsContact C-N 3.25Å; S41-Q43 PolarHBondContact O-N 2.81Å
42G89.2Confident95.9Very high86 Ų8649.3 Ų49.389%0.88728%0.275SS*.THydrogen-bonded Turntrans75.52.4-176.600000115.7R40R40-G42 PolarHBondContact O-N 2.75Å
43Q88.8Confident95.9Very high95 Ų9547.2 Ų47.244%0.44427%0.267SS..SBendtrans-118.8162.4174.5-58.8-173.5-5.900110.8R40 S41R40-Q43 HydrophobicContact CB-CB 4.12Å; R40-Q43 HydrophobicContact CB-CG 4.35Å; R40-Q43 HydrophobicContact CG-CG 4.4Å; R40-Q43 PolarHBondContact O-N 2.94Å; S41-Q43 VanDerWaalsContact C-N 3.25Å; S41-Q43 PolarHBondContact O-N 2.81Å
44G89.9Confident95.8Very high57 Ų5747.9 Ų47.959%0.58828%0.277SS*.  trans-68.5177.217500000113.1
45L95.6Very high95.8Very high118 Ų11851.2 Ų51.262%0.61830%0.3SS*.EExtended strand (participates in β ladder)trans-73.5130.3170.2-64.7175000109.9V37 Q39V37-L45 HydrophobicContact CG1-CB 3.89Å; V37-L45 HydrophobicContact CG1-CD2 4Å; V37-L45 HydrophobicContact CG1-CG 4.4Å; Q39-L45 HydrophobicContact CB-CD2 3.73Å; Q39-L45 HydrophobicContact CG-CD2 3.81Å
46E97.1Very high95.7Very high36 Ų3650.9 Ų50.917%0.16831%0.308CS..EExtended strand (participates in β ladder)trans-110.5116.8174-57.1-17183.500109.7V37 K38 K63 F64V37-E46 CarbonylContact C-O 3.54Å; V37-E46 WeakPolarHBondContact CA-O 3.15Å; K38-E46 HydrophobicContact CB-CB 4.29Å; K38-E46 PolarHBondContact N-O 3.02Å; K38-E46 IonicContact NZ-OE2 2.77Å; K38-E46 PolarHBondContact O-N 2.63Å; E46-K63 IonicContact OE1-NZ 3.67Å; E46-K63 PolarHBondContact OE1-NZ 2.96Å; E46-K63 IonicContact OE2-NZ 3.71Å; E46-F64 HydrophobicContact CB-CE2 4.23Å; E46-F64 HydrophobicContact CB-CZ 4.23Å
47W97.6Very high95.7Very high74 Ų7453.6 Ų53.628%0.2833%0.326SS..EExtended strand (participates in β ladder)trans-73.4129.8173.7177.269.7000110.4H35 G49 W50 K59 N61H35-W47 AromaticContact ND1-CD1 3.87Å; H35-W47 AromaticContact ND1-NE1 3.19Å; H35-W47 PolarHBondContact ND1-NE1 3.12Å; H35-W47 VanDerWaalsContact ND1-NE1 3.19Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 3.42Å; W47-W50 HydrophobicContact CZ2-CB 4.42Å; W47-W50 AromaticContact CZ2-CD1 3.39Å; W47-W50 HydrophobicContact CZ2-CG 4.13Å; W47-K59 HydrophobicContact CH2-CB 4.26Å; W47-K59 HydrophobicContact CH2-CD 4.08Å; W47-K59 HydrophobicContact CH2-CG 3.98Å; W47-N61 HydrophobicContact CE3-CB 3.72Å; W47-N61 HydrophobicContact CZ3-CB 3.82Å; W47-N61 WeakPolarHBondContact O-CB 3.27Å; W47-N61 PolarHBondContact O-ND2 2.94Å
48I98.2Very high95.7Very high0 Ų055.7 Ų55.70%034%0.336CS..EExtended strand (participates in β ladder)trans-93.4-47.3-178.3-61.9176.3000110.8W36 K38 N61 F64 A68 M81 Y94W36-I48 HydrophobicContact CB-CB 4.08Å; W36-I48 HydrophobicContact CB-CD1 4.25Å; W36-I48 WeakPolarHBondContact O-CB 3.41Å; W36-I48 PolarHBondContact O-N 3.42Å; K38-I48 HydrophobicContact CB-CD1 4.1Å; K38-I48 HydrophobicContact CB-CG1 4.29Å; I48-N61 WeakPolarHBondContact O-CB 3.01Å; I48-N61 PolarHBondContact O-N 2.8Å; I48-F64 HydrophobicContact CB-CD2 4.35Å; I48-F64 HydrophobicContact CB-CG 4.3Å; I48-F64 HydrophobicContact CG1-CD1 4.16Å; I48-F64 HydrophobicContact CG1-CD2 4.19Å; I48-F64 HydrophobicContact CG1-CE1 4.13Å; I48-F64 HydrophobicContact CG1-CE2 4.16Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 4.13Å; I48-F64 HydrophobicContact CG2-CB 3.83Å; I48-F64 HydrophobicContact CG2-CD1 4.29Å; I48-F64 HydrophobicContact CG2-CD2 4.46Å; I48-F64 HydrophobicContact CG2-CG 3.96Å; I48-A68 HydrophobicContact CG2-CB 3.76Å; I48-M81 HydrophobicContact CD1-CE 4.11Å; I48-M81 HydrophobicContact CD1-SD 3.52Å; I48-M81 VanDerWaalsContact CD1-SD 3.52Å; I48-M81 HydrophobicContact CG2-SD 3.98Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.69Å
49G98.3Very high95.7Very high0 Ų061.1 Ų61.10%036%0.36CS..EExtended strand (participates in β ladder)trans170.8175.9-169.200000112.4H35 W36 W47 K59H35-G49 WeakPolarHBondContact CA-O 3.46Å; W36-G49 PolarHBondContact N-O 3.18Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 3.42Å; G49-K59 CarbonylContact C-O 3.59Å; G49-K59 WeakPolarHBondContact CA-O 3.4Å
50W98.3Very high95.8Very high59 Ų5959.7 Ų59.722%0.22335%0.351CS..EExtended strand (participates in β ladder)trans-140.1154.4168.161.2-112.2000111.3T33 I34 H35 W47 S57 I58 K59T33-W50 HydrophobicContact CG2-CE3 4.19Å; T33-W50 HydrophobicContact CG2-CZ3 4.5Å; I34-W50 CarbonylContact O-C 3.55Å; I34-W50 WeakPolarHBondContact O-CA 3.49Å; I34-W50 WeakPolarHBondContact O-CB 3.34Å; H35-W50 HydrophobicContact CB-CB 4.45Å; H35-W50 AromaticContact CE1-CD1 3.54Å; H35-W50 AromaticContact CE1-CG 3.93Å; H35-W50 AromaticContact ND1-CD1 3.98Å; W47-W50 HydrophobicContact CZ2-CB 4.42Å; W47-W50 AromaticContact CZ2-CD1 3.39Å; W47-W50 HydrophobicContact CZ2-CG 4.13Å; W50-S57 VanDerWaalsContact CZ3-O 3.27Å; W50-S57 WeakPolarHBondContact CZ3-O 3.44Å; W50-I58 WeakPolarHBondContact O-CA 3.16Å; W50-I58 WeakPolarHBondContact O-CG2 3.24Å; W50-K59 HydrophobicContact CD2-CB 4.02Å; W50-K59 HydrophobicContact CG-CB 4.38Å; W50-K59 HydrophobicContact CH2-CB 4.43Å; W50-K59 HydrophobicContact CZ2-CB 3.64Å; W50-K59 HydrophobicContact CZ2-CD 4.36Å; W50-K59 PolarHBondContact N-O 2.63Å; W50-K59 PolarHBondContact O-N 3.4Å
51F98.4Very high96Very high20 Ų2058.5 Ų58.59%0.08835%0.351CS..EExtended strand (participates in β ladder)trans-122.8132.3171.1-168.5-76.1000109I34 P53 I58 L70 A72 V79I34-F51 PolarHBondContact N-O 2.91Å; I34-F51 PolarHBondContact O-N 2.92Å; F51-P53 HydrophobicContact CD1-CG 4.25Å; F51-P53 WeakPolarHBondContact O-CD 3.5Å; F51-I58 HydrophobicContact CD2-CD1 3.6Å; F51-I58 HydrophobicContact CD2-CG1 3.5Å; F51-I58 HydrophobicContact CD2-CG2 4.42Å; F51-I58 HydrophobicContact CE2-CD1 3.46Å; F51-I58 VanDerWaalsContact CE2-CD1 3.46Å; F51-I58 HydrophobicContact CE2-CG1 3.62Å; F51-I58 HydrophobicContact CG-CG1 4.4Å; F51-L70 HydrophobicContact CB-CB 4.38Å; F51-L70 HydrophobicContact CD2-CB 4.19Å; F51-A72 HydrophobicContact CD1-CB 3.67Å; F51-A72 HydrophobicContact CE1-CB 3.35Å; F51-A72 HydrophobicContact CE2-CB 4.5Å; F51-A72 HydrophobicContact CG-CB 4.41Å; F51-A72 HydrophobicContact CZ-CB 3.83Å; F51-V79 HydrophobicContact CB-CG1 4.14Å
52Y98.1Very high96.4Very high73 Ų7359 Ų5929%0.28634%0.339SS..EExtended strand (participates in β ladder)trans-102.6105.9174-176.6-151.2000110.4T30 T33 G54 S55 G56 S57T30-Y52 WeakPolarHBondContact O-CE2 3.34Å; T33-Y52 HydrophobicContact CG2-CD2 3.92Å; T33-Y52 HydrophobicContact CG2-CG 3.98Å; Y52-G54 PolarHBondContact O-N 3.1Å; Y52-S55 WeakPolarHBondContact CD1-OG 3.41Å; Y52-G56 VanDerWaalsContact O-CA 3.24Å; Y52-G56 WeakPolarHBondContact O-CA 3.27Å; Y52-G56 PolarHBondContact O-N 3.04Å; Y52-S57 PolarHBondContact N-O 3.01Å
53P97.7Very high96.7Very high0 Ų061.1 Ų61.10%032%0.324CS..THydrogen-bonded Turntrans-65.5-23.3-176-18.633.1000114.4F29 T30 Y32 F51 K74 V79F29-P53 HydrophobicContact CD1-CB 3.83Å; F29-P53 HydrophobicContact CD1-CG 4.13Å; F29-P53 HydrophobicContact CD2-CG 4.21Å; F29-P53 HydrophobicContact CE1-CB 3.45Å; F29-P53 VanDerWaalsContact CE1-CB 3.45Å; F29-P53 HydrophobicContact CE1-CG 3.62Å; F29-P53 HydrophobicContact CE2-CB 4.44Å; F29-P53 HydrophobicContact CE2-CG 3.72Å; F29-P53 HydrophobicContact CG-CB 4.48Å; F29-P53 HydrophobicContact CG-CG 4.42Å; F29-P53 HydrophobicContact CZ-CB 3.82Å; F29-P53 HydrophobicContact CZ-CG 3.4Å; F29-P53 VanDerWaalsContact CZ-CG 3.4Å; T30-P53 HydrophobicContact CG2-CB 4.46Å; Y32-P53 WeakPolarHBondContact O-CD 3.37Å; F51-P53 HydrophobicContact CD1-CG 4.25Å; F51-P53 WeakPolarHBondContact O-CD 3.5Å; P53-K74 WeakPolarHBondContact O-CE 3.01Å; P53-K74 PolarHBondContact O-NZ 3.24Å; P53-V79 HydrophobicContact CG-CG2 4.33Å
54G97Very high97.1Very high29 Ų2956.8 Ų56.830%0.29930%0.304SS..THydrogen-bonded Turntrans-58-64.2174.900000111.9T30 Y52 K74T30-G54 WeakPolarHBondContact O-CA 3.41Å; T30-G54 PolarHBondContact O-N 2.83Å; Y52-G54 PolarHBondContact O-N 3.1Å; G54-K74 PolarHBondContact O-NZ 2.9Å
55S97Very high97.4Very high72 Ų7259.3 Ų59.350%0.50330%0.298SS..THydrogen-bonded Turntrans-91.4-17-177.564.10000114.8Y52 S57Y52-S55 WeakPolarHBondContact CD1-OG 3.41Å; S55-S57 VanDerWaalsContact C-N 3.27Å; S55-S57 VanDerWaalsContact OG-CB 3.27Å; S55-S57 WeakPolarHBondContact OG-CB 3.38Å; S55-S57 PolarHBondContact OG-N 2.65Å; S55-S57 VanDerWaalsContact OG-N 3.11Å; S55-S57 PolarHBondContact OG-OG 2.85Å
56G97.2Very high97.4Very high33 Ų3360 Ų6034%0.3430%0.302SS..THydrogen-bonded Turntrans77.111.3-16700000113.8Y52 I58Y52-G56 VanDerWaalsContact O-CA 3.24Å; Y52-G56 WeakPolarHBondContact O-CA 3.27Å; Y52-G56 PolarHBondContact O-N 3.04Å; G56-I58 WeakPolarHBondContact O-CG1 3.39Å
57S97.7Very high97.4Very high56 Ų5660.2 Ų60.239%0.39230%0.303SS..EExtended strand (participates in β ladder)trans-66.3146177.5-62.30000111.2W50 Y52 S55W50-S57 VanDerWaalsContact CZ3-O 3.27Å; W50-S57 WeakPolarHBondContact CZ3-O 3.44Å; Y52-S57 PolarHBondContact N-O 3.01Å; S55-S57 VanDerWaalsContact C-N 3.27Å; S55-S57 VanDerWaalsContact OG-CB 3.27Å; S55-S57 WeakPolarHBondContact OG-CB 3.38Å; S55-S57 PolarHBondContact OG-N 2.65Å; S55-S57 VanDerWaalsContact OG-N 3.11Å; S55-S57 PolarHBondContact OG-OG 2.85Å
58I97.9Very high97.4Very high72 Ų7256.8 Ų56.837%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-137141.5-178-41.8-179.2000108.8W50 F51 G56 Y60 L70W50-I58 WeakPolarHBondContact O-CA 3.16Å; W50-I58 WeakPolarHBondContact O-CG2 3.24Å; F51-I58 HydrophobicContact CD2-CD1 3.6Å; F51-I58 HydrophobicContact CD2-CG1 3.5Å; F51-I58 HydrophobicContact CD2-CG2 4.42Å; F51-I58 HydrophobicContact CE2-CD1 3.46Å; F51-I58 VanDerWaalsContact CE2-CD1 3.46Å; F51-I58 HydrophobicContact CE2-CG1 3.62Å; F51-I58 HydrophobicContact CG-CG1 4.4Å; G56-I58 WeakPolarHBondContact O-CG1 3.39Å; I58-Y60 HydrophobicContact CB-CE2 4.36Å; I58-Y60 HydrophobicContact CG2-CD2 4.15Å; I58-Y60 HydrophobicContact CG2-CE2 3.48Å; I58-Y60 VanDerWaalsContact CG2-CE2 3.48Å; I58-L70 HydrophobicContact CG2-CB 4.08Å; I58-L70 HydrophobicContact CG2-CD1 4.14Å; I58-L70 HydrophobicContact CG2-CG 4.48Å
59K98Very high97.4Very high121 Ų12160.2 Ų60.253%0.52631%0.312SS..EExtended strand (participates in β ladder)trans-133.6139.5168.2-166.4-177.11781760109.7W47 G49 W50W47-K59 HydrophobicContact CH2-CB 4.26Å; W47-K59 HydrophobicContact CH2-CD 4.08Å; W47-K59 HydrophobicContact CH2-CG 3.98Å; G49-K59 CarbonylContact C-O 3.59Å; G49-K59 WeakPolarHBondContact CA-O 3.4Å; W50-K59 HydrophobicContact CD2-CB 4.02Å; W50-K59 HydrophobicContact CG-CB 4.38Å; W50-K59 HydrophobicContact CH2-CB 4.43Å; W50-K59 HydrophobicContact CZ2-CB 3.64Å; W50-K59 HydrophobicContact CZ2-CD 4.36Å; W50-K59 PolarHBondContact N-O 2.63Å; W50-K59 PolarHBondContact O-N 3.4Å
60Y98.4Very high97.4Very high52 Ų5260.4 Ų60.420%0.20431%0.312CS..EExtended strand (participates in β ladder)trans-112.9154.8175.7-65.3-87.2000110.6I58 A68 L70I58-Y60 HydrophobicContact CB-CE2 4.36Å; I58-Y60 HydrophobicContact CG2-CD2 4.15Å; I58-Y60 HydrophobicContact CG2-CE2 3.48Å; I58-Y60 VanDerWaalsContact CG2-CE2 3.48Å; Y60-A68 HydrophobicContact CD1-CB 4.46Å; Y60-A68 HydrophobicContact CE1-CB 4.24Å; Y60-A68 VanDerWaalsContact CE1-O 3.28Å; Y60-A68 WeakPolarHBondContact CE1-O 3.18Å; Y60-L70 HydrophobicContact CE1-CB 4.42Å; Y60-L70 HydrophobicContact CE1-CD1 4.15Å; Y60-L70 HydrophobicContact CE1-CG 3.71Å; Y60-L70 PolarHBondContact OH-N 2.82Å
61N97.6Very high97.4Very high51 Ų5160.4 Ų60.427%0.27332%0.319SS..  trans-74.6134.2153.2-179.7-23.6000108.2W47 I48 K63 F64 K65W47-N61 HydrophobicContact CE3-CB 3.72Å; W47-N61 HydrophobicContact CZ3-CB 3.82Å; W47-N61 WeakPolarHBondContact O-CB 3.27Å; W47-N61 PolarHBondContact O-ND2 2.94Å; I48-N61 WeakPolarHBondContact O-CB 3.01Å; I48-N61 PolarHBondContact O-N 2.8Å; N61-K63 PolarHBondContact O-N 2.79Å; N61-K63 VanDerWaalsContact O-N 3.1Å; N61-K63 PolarHBondContact OD1-N 3.28Å; N61-F64 HydrophobicContact CB-CD2 4.08Å; N61-F64 PolarHBondContact O-N 3.37Å; N61-K65 PolarHBondContact O-N 3.4Å
62E97.2Very high97.4Very high136 Ų13661 Ų6164%0.63633%0.328SS*.G310 helixtrans-54.1-32.7-179-66-58.314500112.7F64 K65E62-F64 PolarHBondContact O-N 2.82Å; E62-K65 PolarHBondContact O-N 2.79Å; E62-K65 IonicContact OE1-NZ 3.42Å; E62-K65 VanDerWaalsContact OE2-CD 3.3Å; E62-K65 WeakPolarHBondContact OE2-CD 2.96Å; E62-K65 IonicContact OE2-NZ 3.79Å; E62-K65 PolarHBondContact OE2-NZ 2.83Å
63K95.2Very high97.4Very high130 Ų13060.4 Ų60.457%0.56533%0.329SS*.G310 helixtrans-59.6-28.5176-176.8176.1178.6-178.80113.7E46 N61E46-K63 IonicContact OE1-NZ 3.67Å; E46-K63 PolarHBondContact OE1-NZ 2.96Å; E46-K63 IonicContact OE2-NZ 3.71Å; N61-K63 PolarHBondContact O-N 2.79Å; N61-K63 VanDerWaalsContact O-N 3.1Å; N61-K63 PolarHBondContact OD1-N 3.28Å
64F96.9Very high97.4Very high4 Ų465.7 Ų65.72%0.01835%0.353CS..G310 helixtrans-110.9-4.3-173.5-64.8-85000113.5K38 E46 I48 N61 E62 D66 K67 A68K38-F64 HydrophobicContact CD-CE1 4.09Å; K38-F64 HydrophobicContact CD-CZ 4.01Å; E46-F64 HydrophobicContact CB-CE2 4.23Å; E46-F64 HydrophobicContact CB-CZ 4.23Å; I48-F64 HydrophobicContact CB-CD2 4.35Å; I48-F64 HydrophobicContact CB-CG 4.3Å; I48-F64 HydrophobicContact CG1-CD1 4.16Å; I48-F64 HydrophobicContact CG1-CD2 4.19Å; I48-F64 HydrophobicContact CG1-CE1 4.13Å; I48-F64 HydrophobicContact CG1-CE2 4.16Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 4.13Å; I48-F64 HydrophobicContact CG2-CB 3.83Å; I48-F64 HydrophobicContact CG2-CD1 4.29Å; I48-F64 HydrophobicContact CG2-CD2 4.46Å; I48-F64 HydrophobicContact CG2-CG 3.96Å; N61-F64 HydrophobicContact CB-CD2 4.08Å; N61-F64 PolarHBondContact O-N 3.37Å; E62-F64 PolarHBondContact O-N 2.82Å; F64-D66 VanDerWaalsContact C-N 3.29Å; F64-D66 PolarHBondContact O-N 3.25Å; F64-K67 PolarHBondContact O-N 2.78Å; F64-A68 HydrophobicContact CB-CB 4.22Å; F64-A68 PolarHBondContact O-N 3.37Å
65K95.8Very high97.4Very high109 Ų10969.5 Ų69.547%0.47438%0.375SS..THydrogen-bonded Turntrans-57.8-37.8-172.5-171.5177.6-177.8176.50113.9N61 E62 K67N61-K65 PolarHBondContact O-N 3.4Å; E62-K65 PolarHBondContact O-N 2.79Å; E62-K65 IonicContact OE1-NZ 3.42Å; E62-K65 VanDerWaalsContact OE2-CD 3.3Å; E62-K65 WeakPolarHBondContact OE2-CD 2.96Å; E62-K65 IonicContact OE2-NZ 3.79Å; E62-K65 PolarHBondContact OE2-NZ 2.83Å; K65-K67 VanDerWaalsContact C-N 3.32Å
66D95.8Very high97.4Very high132 Ų13267.7 Ų67.771%0.70636%0.362SS*.THydrogen-bonded Turntrans-88.6-0.4179-61.8-33.3000113.5F64 R85F64-D66 VanDerWaalsContact C-N 3.29Å; F64-D66 PolarHBondContact O-N 3.25Å; D66-R85 PolarHBondContact O-NH2 3.02Å
67K96.6Very high97.4Very high41 Ų4167.8 Ų67.818%0.17836%0.357CS..THydrogen-bonded Turntrans-119.1-41-170.6-162.9167.4-161.6167.90113.2F64 K65 L83 S84 D90F64-K67 PolarHBondContact O-N 2.78Å; K65-K67 VanDerWaalsContact C-N 3.32Å; K67-L83 WeakPolarHBondContact O-CA 3.38Å; K67-S84 WeakPolarHBondContact CE-O 3.1Å; K67-S84 WeakPolarHBondContact CG-O 3.4Å; K67-S84 PolarHBondContact O-N 3.48Å; K67-S84 PolarHBondContact O-OG 2.81Å; K67-D90 WeakPolarHBondContact CE-OD1 3.47Å; K67-D90 WeakPolarHBondContact CE-OD2 3.48Å; K67-D90 IonicContact NZ-OD1 2.54Å; K67-D90 PolarHBondContact NZ-OD1 2.91Å; K67-D90 IonicContact NZ-OD2 2.65Å; K67-D90 PolarHBondContact NZ-OD2 2.88Å
68A98.1Very high97.5Very high2 Ų265.4 Ų65.42%0.01734%0.34CS..EExtended strand (participates in β ladder)trans-98.5137.8-178.200000111I48 Y60 F64 E82 L83I48-A68 HydrophobicContact CG2-CB 3.76Å; Y60-A68 HydrophobicContact CD1-CB 4.46Å; Y60-A68 HydrophobicContact CE1-CB 4.24Å; Y60-A68 VanDerWaalsContact CE1-O 3.28Å; Y60-A68 WeakPolarHBondContact CE1-O 3.18Å; F64-A68 HydrophobicContact CB-CB 4.22Å; F64-A68 PolarHBondContact O-N 3.37Å; A68-E82 CarbonylContact C-O 3.49Å; A68-E82 VanDerWaalsContact CA-O 3.29Å; A68-E82 WeakPolarHBondContact CA-O 3.39Å; A68-L83 HydrophobicContact CB-CD2 3.76Å
69T98.4Very high97.5Very high73 Ų7362 Ų6245%0.44832%0.323SS..EExtended strand (participates in β ladder)trans-122.2121.1167.8-62.40000108.7T71 M81 E82T69-T71 HydrophobicContact CG2-CG2 4.3Å; T69-M81 WeakPolarHBondContact O-CA 3.37Å; T69-E82 PolarHBondContact N-O 2.77Å; T69-E82 PolarHBondContact O-N 3.11Å
70L98.5Very high97.5Very high3 Ų358.9 Ų58.92%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-100.8131.5177.9-55.9-173.8000110.4W36 F51 I58 Y60 Y80 M81W36-L70 VanDerWaalsContact CD1-CD2 3.47Å; W36-L70 HydrophobicContact CG-CD2 4.22Å; F51-L70 HydrophobicContact CB-CB 4.38Å; F51-L70 HydrophobicContact CD2-CB 4.19Å; I58-L70 HydrophobicContact CG2-CB 4.08Å; I58-L70 HydrophobicContact CG2-CD1 4.14Å; I58-L70 HydrophobicContact CG2-CG 4.48Å; Y60-L70 HydrophobicContact CE1-CB 4.42Å; Y60-L70 HydrophobicContact CE1-CD1 4.15Å; Y60-L70 HydrophobicContact CE1-CG 3.71Å; Y60-L70 PolarHBondContact OH-N 2.82Å; L70-Y80 WeakPolarHBondContact CA-O 3.44Å; L70-M81 HydrophobicContact CD2-CB 3.64Å; L70-M81 HydrophobicContact CD2-CG 3.61Å; L70-M81 HydrophobicContact CD2-SD 4.37Å
71T98.2Very high97.5Very high59 Ų5956.4 Ų56.436%0.36230%0.299SS..EExtended strand (participates in β ladder)trans-139.7164.4176.755.50000110.6T69 V79 Y80T69-T71 HydrophobicContact CG2-CG2 4.3Å; T71-V79 CarbonylContact O-C 3.55Å; T71-V79 WeakPolarHBondContact O-CA 3.1Å; T71-V79 WeakPolarHBondContact O-CG1 3.02Å; T71-Y80 PolarHBondContact N-O 2.8Å; T71-Y80 PolarHBondContact O-N 3.14Å
72A98.2Very high97.6Very high33 Ų3357.8 Ų57.827%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-139.4141.8176.100000111.9F29 F51 T78 V79F29-A72 HydrophobicContact CZ-CB 4.45Å; F51-A72 HydrophobicContact CD1-CB 3.67Å; F51-A72 HydrophobicContact CE1-CB 3.35Å; F51-A72 HydrophobicContact CE2-CB 4.5Å; F51-A72 HydrophobicContact CG-CB 4.41Å; F51-A72 HydrophobicContact CZ-CB 3.83Å; A72-T78 CarbonylContact C-O 3.58Å; A72-T78 WeakPolarHBondContact CA-O 3.15Å; A72-V79 HydrophobicContact CB-CG2 4.09Å
73D97.9Very high97.6Very high60 Ų6051.4 Ų51.432%0.32127%0.273SS..EExtended strand (participates in β ladder)trans-106.5108.4165.2-178.8-7.4000108.5S75 S76 S77 T78 Y80D73-S75 VanDerWaalsContact C-N 3.29Å; D73-S75 PolarHBondContact O-N 2.93Å; D73-S75 WeakPolarHBondContact OD1-CA 3.21Å; D73-S75 WeakPolarHBondContact OD1-CB 2.98Å; D73-S75 PolarHBondContact OD1-N 3.05Å; D73-S75 PolarHBondContact OD1-OG 2.85Å; D73-S75 PolarHBondContact OD2-OG 2.89Å; D73-S76 WeakPolarHBondContact CB-OG 3.41Å; D73-S76 PolarHBondContact OD1-N 2.78Å; D73-S76 PolarHBondContact OD2-OG 3.24Å; D73-S77 PolarHBondContact O-N 2.83Å; D73-S77 VanDerWaalsContact O-N 3.14Å; D73-T78 PolarHBondContact N-O 3.19Å; D73-T78 PolarHBondContact O-N 2.86Å; D73-Y80 HydrophobicContact CB-CE2 4.07Å
74K97Very high97.7Very high112 Ų11246.6 Ų46.649%0.48726%0.256SS..THydrogen-bonded Turntrans-70.8-26.7-179.6-56.2-170.4-165.7-163.50112T30 P53 G54T30-K74 HydrophobicContact CG2-CD 4.28Å; P53-K74 WeakPolarHBondContact O-CE 3.01Å; P53-K74 PolarHBondContact O-NZ 3.24Å; G54-K74 PolarHBondContact O-NZ 2.9Å
75S96.9Very high97.7Very high109 Ų10954.1 Ų54.176%0.76229%0.285SS*.THydrogen-bonded Turntrans-71.1-35.5-178.775.40000111.8D73D73-S75 VanDerWaalsContact C-N 3.29Å; D73-S75 PolarHBondContact O-N 2.93Å; D73-S75 WeakPolarHBondContact OD1-CA 3.21Å; D73-S75 WeakPolarHBondContact OD1-CB 2.98Å; D73-S75 PolarHBondContact OD1-N 3.05Å; D73-S75 PolarHBondContact OD1-OG 2.85Å; D73-S75 PolarHBondContact OD2-OG 2.89Å
76S97.7Very high97.8Very high33 Ų3349.7 Ų49.723%0.23127%0.266CS..THydrogen-bonded Turntrans-96.8-2.4178.174.90000113.8D73 T78D73-S76 WeakPolarHBondContact CB-OG 3.41Å; D73-S76 PolarHBondContact OD1-N 2.78Å; D73-S76 PolarHBondContact OD2-OG 3.24Å; S76-T78 VanDerWaalsContact C-N 3.33Å; S76-T78 PolarHBondContact O-N 2.91Å; S76-T78 PolarHBondContact O-OG1 2.81Å; S76-T78 VanDerWaalsContact OG-CB 3.27Å; S76-T78 WeakPolarHBondContact OG-CB 3.27Å; S76-T78 PolarHBondContact OG-OG1 2.84Å
77S98.2Very high97.8Very high35 Ų3546.3 Ų46.325%0.24525%0.25CS..THydrogen-bonded Turntrans5346.4-170.6-60.80000112.8A24 D73A24-S77 PolarHBondContact N-O 3.02Å; D73-S77 PolarHBondContact O-N 2.83Å; D73-S77 VanDerWaalsContact O-N 3.14Å
78T98.6Very high97.6Very high6 Ų648.7 Ų48.74%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-123.1130.8-174.7-51.50000111.2C22 K23 A72 D73 S76 Y80C22-T78 WeakPolarHBondContact O-CA 3.41Å; K23-T78 HydrophobicContact CB-CG2 4.49Å; A72-T78 CarbonylContact C-O 3.58Å; A72-T78 WeakPolarHBondContact CA-O 3.15Å; D73-T78 PolarHBondContact N-O 3.19Å; D73-T78 PolarHBondContact O-N 2.86Å; S76-T78 VanDerWaalsContact C-N 3.33Å; S76-T78 PolarHBondContact O-N 2.91Å; S76-T78 PolarHBondContact O-OG1 2.81Å; S76-T78 VanDerWaalsContact OG-CB 3.27Å; S76-T78 WeakPolarHBondContact OG-CB 3.27Å; S76-T78 PolarHBondContact OG-OG1 2.84Å; T78-Y80 HydrophobicContact CG2-CD1 4.31Å; T78-Y80 HydrophobicContact CG2-CD2 4.21Å; T78-Y80 HydrophobicContact CG2-CE1 3.79Å; T78-Y80 HydrophobicContact CG2-CE2 3.65Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.41Å
79V98.4Very high97.4Very high0 Ų054.3 Ų54.30%030%0.298CS..EExtended strand (participates in β ladder)trans-99141.3164.5179.10000108.9S21 C22 F29 I34 F51 P53 T71 A72S21-V79 CarbonylContact C-O 3.56Å; C22-V79 PolarHBondContact N-O 2.98Å; C22-V79 PolarHBondContact O-N 3.5Å; F29-V79 HydrophobicContact CE2-CG2 3.8Å; F29-V79 HydrophobicContact CZ-CG2 3.54Å; I34-V79 HydrophobicContact CB-CB 4.24Å; I34-V79 HydrophobicContact CB-CG1 4.42Å; I34-V79 HydrophobicContact CB-CG2 3.8Å; I34-V79 HydrophobicContact CG1-CB 4.43Å; I34-V79 HydrophobicContact CG1-CG2 3.63Å; I34-V79 HydrophobicContact CG2-CB 4.13Å; I34-V79 HydrophobicContact CG2-CG1 4.35Å; I34-V79 HydrophobicContact CG2-CG2 4.21Å; F51-V79 HydrophobicContact CB-CG1 4.14Å; P53-V79 HydrophobicContact CG-CG2 4.33Å; T71-V79 CarbonylContact O-C 3.55Å; T71-V79 WeakPolarHBondContact O-CA 3.1Å; T71-V79 WeakPolarHBondContact O-CG1 3.02Å; A72-V79 HydrophobicContact CB-CG2 4.09Å
80Y98.6Very high97.2Very high57 Ų5751.4 Ų51.422%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-116.9144.6175.8-58-90.6000110.6K19 L20 L70 T71 D73 T78K19-Y80 HydrophobicContact CD-CD1 4.43Å; K19-Y80 HydrophobicContact CG-CD1 4.3Å; L20-Y80 CarbonylContact O-C 3.53Å; L20-Y80 WeakPolarHBondContact O-CA 3.34Å; L70-Y80 WeakPolarHBondContact CA-O 3.44Å; T71-Y80 PolarHBondContact N-O 2.8Å; T71-Y80 PolarHBondContact O-N 3.14Å; D73-Y80 HydrophobicContact CB-CE2 4.07Å; T78-Y80 HydrophobicContact CG2-CD1 4.31Å; T78-Y80 HydrophobicContact CG2-CD2 4.21Å; T78-Y80 HydrophobicContact CG2-CE1 3.79Å; T78-Y80 HydrophobicContact CG2-CE2 3.65Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.41Å
81M98.5Very high97.1Very high0 Ų055.3 Ų55.30%031%0.308CS..EExtended strand (participates in β ladder)trans-120.1120.3165.2177.8-177.367.600108.6K19 L20 W36 I48 T69 L70 L83 Y94K19-M81 CarbonylContact C-O 3.56Å; K19-M81 WeakPolarHBondContact CA-O 3.18Å; L20-M81 HydrophobicContact CD1-CE 3.63Å; L20-M81 HydrophobicContact CG-CE 4.34Å; L20-M81 PolarHBondContact N-O 2.93Å; L20-M81 PolarHBondContact O-N 3.11Å; W36-M81 HydrophobicContact CB-SD 3.92Å; W36-M81 HydrophobicContact CD2-CB 3.74Å; W36-M81 HydrophobicContact CD2-CE 4.26Å; W36-M81 HydrophobicContact CD2-CG 4.49Å; W36-M81 HydrophobicContact CD2-SD 4.07Å; W36-M81 HydrophobicContact CE3-CB 4.27Å; W36-M81 HydrophobicContact CE3-CE 3.89Å; W36-M81 HydrophobicContact CE3-SD 4.27Å; W36-M81 HydrophobicContact CG-CB 4.07Å; W36-M81 HydrophobicContact CG-CG 4.49Å; W36-M81 HydrophobicContact CG-SD 3.93Å; W36-M81 HydrophobicContact CH2-CB 4.39Å; W36-M81 HydrophobicContact CZ2-CB 3.89Å; W36-M81 HydrophobicContact CZ3-CE 4.33Å; I48-M81 HydrophobicContact CD1-CE 4.11Å; I48-M81 HydrophobicContact CD1-SD 3.52Å; I48-M81 VanDerWaalsContact CD1-SD 3.52Å; I48-M81 HydrophobicContact CG2-SD 3.98Å; T69-M81 WeakPolarHBondContact O-CA 3.37Å; L70-M81 HydrophobicContact CD2-CB 3.64Å; L70-M81 HydrophobicContact CD2-CG 3.61Å; L70-M81 HydrophobicContact CD2-SD 4.37Å; M81-L83 HydrophobicContact CE-CD1 3.73Å; M81-L83 HydrophobicContact CE-CD2 4.41Å; M81-L83 HydrophobicContact CE-CG 3.93Å; M81-L83 HydrophobicContact CG-CD2 4.41Å; M81-L83 HydrophobicContact CG-CG 4.28Å; M81-L83 HydrophobicContact SD-CD1 4.45Å; M81-L83 HydrophobicContact SD-CD2 4.07Å; M81-L83 HydrophobicContact SD-CG 4.17Å; M81-Y94 HydrophobicContact CE-CD1 3.61Å; M81-Y94 HydrophobicContact CE-CE1 4.17Å; M81-Y94 HydrophobicContact CE-CG 4.09Å
82E98.4Very high97Very high80 Ų8054.1 Ų54.137%0.37430%0.304SS..EExtended strand (participates in β ladder)trans-99.8124.3168.8-173.3171.3172.500109.5V18 K19 A68 T69V18-E82 CarbonylContact O-C 3.59Å; V18-E82 VanDerWaalsContact O-CA 3.26Å; V18-E82 WeakPolarHBondContact O-CA 3.33Å; K19-E82 HydrophobicContact CG-CB 4.46Å; A68-E82 CarbonylContact C-O 3.49Å; A68-E82 VanDerWaalsContact CA-O 3.29Å; A68-E82 WeakPolarHBondContact CA-O 3.39Å; T69-E82 PolarHBondContact N-O 2.77Å; T69-E82 PolarHBondContact O-N 3.11Å
83L97.9Very high96.9Very high1 Ų156.4 Ų56.41%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-107130.6171.5-64.1167.3000108.5S17 V18 K67 A68 M81 L86 Y94S17-L83 CarbonylContact C-O 3.49Å; S17-L83 WeakPolarHBondContact CA-O 3.46Å; S17-L83 WeakPolarHBondContact CB-O 3.14Å; V18-L83 HydrophobicContact CG1-CB 4.06Å; V18-L83 HydrophobicContact CG1-CD1 4.36Å; V18-L83 PolarHBondContact N-O 2.88Å; V18-L83 PolarHBondContact O-N 2.77Å; K67-L83 WeakPolarHBondContact O-CA 3.38Å; A68-L83 HydrophobicContact CB-CD2 3.76Å; M81-L83 HydrophobicContact CE-CD1 3.73Å; M81-L83 HydrophobicContact CE-CD2 4.41Å; M81-L83 HydrophobicContact CE-CG 3.93Å; M81-L83 HydrophobicContact CG-CD2 4.41Å; M81-L83 HydrophobicContact CG-CG 4.28Å; M81-L83 HydrophobicContact SD-CD1 4.45Å; M81-L83 HydrophobicContact SD-CD2 4.07Å; M81-L83 HydrophobicContact SD-CG 4.17Å; L83-L86 HydrophobicContact CB-CD2 3.72Å; L83-L86 HydrophobicContact CD1-CD2 4.32Å; L83-Y94 HydrophobicContact CD1-CD1 4.24Å; L83-Y94 HydrophobicContact CD1-CE1 3.56Å; L83-Y94 HydrophobicContact CD1-CE2 4.21Å
84S97.6Very high96.9Very high30 Ų3054.9 Ų54.921%0.2130%0.304CS..  trans-110.5159.2-178.5650000112.6S17 K67 L86S17-S84 WeakPolarHBondContact OG-CA 3.44Å; K67-S84 WeakPolarHBondContact CE-O 3.1Å; K67-S84 WeakPolarHBondContact CG-O 3.4Å; K67-S84 PolarHBondContact O-N 3.48Å; K67-S84 PolarHBondContact O-OG 2.81Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact O-N 3.48Å
85R96.8Very high97Very high162 Ų16253.6 Ų53.661%0.61130%0.298SS*.SBendtrans53.248.9172.8-57.8177.1-71.1-175.9-1.3112A16 D66A16-R85 PolarHBondContact O-N 2.83Å; D66-R85 PolarHBondContact O-NH2 3.02Å
86L97.1Very high97Very high15 Ų1549 Ų498%0.07927%0.266CS..  trans-64.6142-172.6-68.3168.1000112.3V12 G15 A16 V18 L83 S84 D90V12-L86 HydrophobicContact CG2-CD1 3.5Å; V12-L86 VanDerWaalsContact CG2-CD1 3.5Å; G15-L86 PolarHBondContact N-O 2.85Å; A16-L86 WeakPolarHBondContact O-CB 3.11Å; A16-L86 WeakPolarHBondContact O-CG 3.36Å; A16-L86 PolarHBondContact O-N 2.02Å; V18-L86 HydrophobicContact CB-CD1 3.96Å; V18-L86 HydrophobicContact CG1-CD1 3.79Å; L83-L86 HydrophobicContact CB-CD2 3.72Å; L83-L86 HydrophobicContact CD1-CD2 4.32Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact O-N 3.48Å; L86-D90 WeakPolarHBondContact CA-OD2 3.49Å; L86-D90 HydrophobicContact CD2-CB 3.57Å
87T95.9Very high97Very high62 Ų6249.6 Ų49.638%0.3827%0.273SS..  trans-121.1173.9173.771.60000109.5E89 D90T87-E89 PolarHBondContact O-N 2.73Å; T87-E89 VanDerWaalsContact O-N 3.11Å; T87-E89 PolarHBondContact OG1-N 3.18Å; T87-D90 PolarHBondContact N-OD2 3.06Å; T87-D90 PolarHBondContact O-N 3.06Å; T87-D90 PolarHBondContact OG1-OD2 3.36Å
88S93.7Very high97Very high91 Ų9152 Ų5264%0.63628%0.277SS*.G310 helixtrans-59.9-19.9174.955.20000113.4D90S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 3.13Å
89E92.7Very high96.7Very high119 Ų11957.3 Ų57.356%0.55630%0.301SS*.G310 helixtrans-74.5-18.7176.8-61.1-173.1155.300113.4K38 T87K38-E89 WeakPolarHBondContact CE-O 3.44Å; K38-E89 PolarHBondContact NZ-O 2.87Å; T87-E89 PolarHBondContact O-N 2.73Å; T87-E89 VanDerWaalsContact O-N 3.11Å; T87-E89 PolarHBondContact OG1-N 3.18Å
90D95.1Very high95.4Very high12 Ų1266.2 Ų66.26%0.06434%0.342CS..G310 helixtrans-87-8.7178.1-53.8-56.3000113.2K67 L86 T87 S88 A92 Y94K67-D90 WeakPolarHBondContact CE-OD1 3.47Å; K67-D90 WeakPolarHBondContact CE-OD2 3.48Å; K67-D90 IonicContact NZ-OD1 2.54Å; K67-D90 PolarHBondContact NZ-OD1 2.91Å; K67-D90 IonicContact NZ-OD2 2.65Å; K67-D90 PolarHBondContact NZ-OD2 2.88Å; L86-D90 WeakPolarHBondContact CA-OD2 3.49Å; L86-D90 HydrophobicContact CD2-CB 3.57Å; T87-D90 PolarHBondContact N-OD2 3.06Å; T87-D90 PolarHBondContact O-N 3.06Å; T87-D90 PolarHBondContact OG1-OD2 3.36Å; S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 3.13Å; D90-A92 PolarHBondContact O-N 3.49Å; D90-Y94 WeakPolarHBondContact O-CE2 3.45Å; D90-Y94 PolarHBondContact O-OH 3.08Å
91S95.3Very high95.3Very high86 Ų8666.7 Ų66.760%0.60135%0.348SS*.  trans-63.7106.9173.6-62.50000110
92A96.7Very high95.1Very high34 Ų3470.2 Ų70.228%0.28137%0.367SS..SBendtrans-162.6169.3-17100000110.5K38 Q39 R40 D90 Y94K38-A92 HydrophobicContact CD-CB 4.18Å; K38-A92 HydrophobicContact CG-CB 3.53Å; Q39-A92 VanDerWaalsContact O-CB 3.32Å; Q39-A92 WeakPolarHBondContact O-CB 3.4Å; R40-A92 HydrophobicContact CB-CB 4.41Å; D90-A92 PolarHBondContact O-N 3.49Å; A92-Y94 HydrophobicContact CB-CD2 4.48Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å
93V96.9Very high94.9Very high80 Ų8069.6 Ų69.649%0.48537%0.366SS..EExtended strand (participates in β ladder)trans-86.1134.9162.1-172.30000108Q39 F95Q39-V93 PolarHBondContact N-O 2.8Å; Q39-V93 PolarHBondContact O-N 2.96Å; V93-F95 HydrophobicContact CB-CE2 3.87Å; V93-F95 HydrophobicContact CB-CZ 4.04Å; V93-F95 HydrophobicContact CG1-CD1 4.43Å; V93-F95 HydrophobicContact CG1-CD2 4.18Å; V93-F95 HydrophobicContact CG1-CE1 3.8Å; V93-F95 HydrophobicContact CG1-CE2 3.5Å; V93-F95 HydrophobicContact CG1-CZ 3.3Å
94Y97.8Very high94.7Very high28 Ų2873.6 Ų73.611%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-113.4128.6177-68.7-90.2000108.8Q6 L20 V37 K38 I48 M81 L83 D90 A92Q6-Y94 PolarHBondContact NE2-O 3.43Å; L20-Y94 HydrophobicContact CD1-CD2 4.12Å; L20-Y94 HydrophobicContact CD1-CG 3.87Å; V37-Y94 CarbonylContact O-C 3.57Å; V37-Y94 WeakPolarHBondContact O-CA 3.49Å; K38-Y94 HydrophobicContact CB-CD1 4.05Å; K38-Y94 HydrophobicContact CB-CE1 3.8Å; K38-Y94 HydrophobicContact CD-CE1 4.01Å; K38-Y94 HydrophobicContact CG-CD1 4.28Å; K38-Y94 HydrophobicContact CG-CE1 3.72Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.69Å; M81-Y94 HydrophobicContact CE-CD1 3.61Å; M81-Y94 HydrophobicContact CE-CE1 4.17Å; M81-Y94 HydrophobicContact CE-CG 4.09Å; L83-Y94 HydrophobicContact CD1-CD1 4.24Å; L83-Y94 HydrophobicContact CD1-CE1 3.56Å; L83-Y94 HydrophobicContact CD1-CE2 4.21Å; D90-Y94 WeakPolarHBondContact O-CE2 3.45Å; D90-Y94 PolarHBondContact O-OH 3.08Å; A92-Y94 HydrophobicContact CB-CD2 4.48Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å
95F97.9Very high94.6Very high86 Ų8676.4 Ų76.438%0.37740%0.399SS..EExtended strand (participates in β ladder)trans-114.4139.6179.5-60.9-82.1000110W36 V37 Q39 V93W36-F95 WeakPolarHBondContact CA-O 3.44Å; V37-F95 PolarHBondContact N-O 3.01Å; V37-F95 PolarHBondContact O-N 2.81Å; Q39-F95 HydrophobicContact CB-CD2 4.33Å; Q39-F95 HydrophobicContact CB-CE2 3.81Å; Q39-F95 VanDerWaalsContact OE1-CE2 3.23Å; V93-F95 HydrophobicContact CB-CE2 3.87Å; V93-F95 HydrophobicContact CB-CZ 4.04Å; V93-F95 HydrophobicContact CG1-CD1 4.43Å; V93-F95 HydrophobicContact CG1-CD2 4.18Å; V93-F95 HydrophobicContact CG1-CE1 3.8Å; V93-F95 HydrophobicContact CG1-CE2 3.5Å; V93-F95 HydrophobicContact CG1-CZ 3.3Å
96C98.1Very high94.4Very high13 Ų1370.7 Ų70.79%0.08838%0.384CS..EExtended strand (participates in β ladder)trans-97.2142.9159.167.60000110.4Q6 C22 I34 H35 W36Q6-C96 HydrophobicContact CG-CB 4.42Å; Q6-C96 WeakPolarHBondContact CG-SG 3.4Å; Q6-C96 PolarHBondContact OE1-SG 2.97Å; C22-C96 HydrophobicContact CB-CB 3.47Å; C22-C96 VanDerWaalsContact CB-CB 3.47Å; C22-C96 WeakPolarHBondContact CB-SG 3.15Å; C22-C96 WeakPolarHBondContact SG-CB 3.28Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.25Å; I34-C96 HydrophobicContact CG2-CB 4.06Å; H35-C96 CarbonylContact O-C 3.41Å; H35-C96 WeakPolarHBondContact O-CA 3.36Å; W36-C96 HydrophobicContact CD2-CB 4.31Å; W36-C96 HydrophobicContact CE3-CB 4.15Å; W36-C96 HydrophobicContact CH2-CB 4.17Å; W36-C96 HydrophobicContact CZ2-CB 4.3Å; W36-C96 HydrophobicContact CZ3-CB 4.08Å
97A97.9Very high94.2Very high45 Ų4574.6 Ų74.637%0.37241%0.406SS..EExtended strand (participates in β ladder)trans-137.1147.8177.200000109.9I34 H35I34-A97 CarbonylContact C-O 3.6Å; I34-A97 WeakPolarHBondContact CA-O 3.48Å; H35-A97 PolarHBondContact N-O 3.21Å; H35-A97 PolarHBondContact O-N 3.01Å
98R96.9Very high94.1Very high84 Ų8475.6 Ų75.632%0.31741%0.408SS..EExtended strand (participates in β ladder)trans-98138.2176.9-176.3-16970.5160.13.6109.5L4 Y27 Y32 T33 I34L4-R98 HydrophobicContact CD1-CB 4.15Å; Y27-R98 VanDerWaalsContact CE2-CD 3.46Å; Y27-R98 HydrophobicContact CE2-CG 4.24Å; Y27-R98 VanDerWaalsContact CG-NH1 3.32Å; Y32-R98 VanDerWaalsContact CB-CG 3.49Å; Y32-R98 HydrophobicContact CD1-CG 3.82Å; Y32-R98 HydrophobicContact CG-CG 3.78Å; T33-R98 WeakPolarHBondContact O-CA 3.47Å; I34-R98 HydrophobicContact CD1-CB 4.07Å; I34-R98 HydrophobicContact CD1-CG 4.14Å
99H92.6Very high94.1Very high119 Ų11974.3 Ų74.355%0.55139%0.389SS*.EExtended strand (participates in β ladder)trans-136.8150.3170.6-168.2-86.5000111.1T33T33-H99 PolarHBondContact N-O 3.05Å; T33-H99 PolarHBondContact O-N 3.49Å; T33-H99 PolarHBondContact OG1-O 3.24Å; T33-H99 VanDerWaalsContact OG1-O 3.06Å
100E71.6Confident94.2Very high186 Ų18670.3 Ų70.387%0.86937%0.374SS*.  trans-61.70172.9-72.6176.4-17700112.3Y32Y32-E100 HydrophobicContact CD1-CG 4.08Å; Y32-E100 HydrophobicContact CE1-CG 3.64Å

Retrieved 100 of 100 residues in 165 ms (Link to these results)

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