A0A087WXK1_HUMAN Loading...

Abraxas 1, BRCA1 A complex subunit

AlphaFold DB , UniProt , Accession A0A087WXK1, Species HUMAN (Homo sapiens, Human), Gene ABRAXAS1, Length 189 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
1M42.1Very low61.7Low242 Ų24296.8 Ų96.8100%1.19256%0.563SS**  0111.80-92.6168.4154.900104.7G3M1-G3 PolarHBondContact O-N 3.33Å
2E48.5Very low62.7Low203 Ų20393.8 Ų93.895%0.94957%0.568SS**  trans-69.3117.8-179.5-67.3167.4136.500107.9E4E2-E4 PolarHBondContact O-N 2.97Å; E2-E4 VanDerWaalsContact O-N 3.16Å
3G53Low63.7Low54 Ų5498.9 Ų98.956%0.55758%0.578SS**  trans-81.288-179.900000109.9M1 S5M1-G3 PolarHBondContact O-N 3.33Å; G3-S5 PolarHBondContact O-N 3.37Å
4E56.3Low64.5Low127 Ų12792.3 Ų92.359%0.59354%0.54SS*.  trans-81.5107175.2-165.7173.498.600110.6E2 Y111E2-E4 PolarHBondContact O-N 2.97Å; E2-E4 VanDerWaalsContact O-N 3.16Å; E4-Y111 HydrophobicContact CG-CD2 3.96Å; E4-Y111 HydrophobicContact CG-CE2 3.66Å
5S61.6Low65.4Low47 Ų4791.9 Ų91.933%0.32953%0.534SS..EExtended strand (participates in β ladder)trans-98.2110.5179.5-750000110.4G3 E108 V110 Y111G3-S5 PolarHBondContact O-N 3.37Å; S5-E108 WeakPolarHBondContact CB-OE1 3.18Å; S5-E108 PolarHBondContact OG-OE1 3.04Å; S5-V110 WeakPolarHBondContact O-CA 3.08Å; S5-Y111 PolarHBondContact O-N 2.84Å
6T67.4Low66.2Low104 Ų10488.6 Ų88.664%0.63853%0.525SS*.EExtended strand (participates in β ladder)trans-91.9128.6173.247.70000111.1Y111T6-Y111 HydrophobicContact CG2-CD2 4.44Å
7S67.4Low66.8Low45 Ų4584.6 Ų84.632%0.31551%0.505SS..EExtended strand (participates in β ladder)trans-130.2146.1179.977.30000111.4Y111 T112 I113S7-Y111 CarbonylContact C-O 3.49Å; S7-Y111 WeakPolarHBondContact CA-O 3.37Å; S7-Y111 PolarHBondContact N-O 3.48Å; S7-Y111 PolarHBondContact OG-O 3.25Å; S7-T112 WeakPolarHBondContact O-CA 3.28Å; S7-I113 PolarHBondContact O-N 3.01Å; S7-I113 VanDerWaalsContact O-N 3.08Å
8A66.4Low67.4Low62 Ų6279.9 Ų79.951%0.51248%0.477SS..EExtended strand (participates in β ladder)trans-121126.6179.200000110.1I113A8-I113 HydrophobicContact CB-CB 4.44Å
9V72.1Confident67.8Low77 Ų7777.9 Ų77.947%0.46747%0.47SS..EExtended strand (participates in β ladder)trans-111.1105.3179.3175.60000109T112 I113 I115V9-T112 HydrophobicContact CB-CG2 4.09Å; V9-T112 HydrophobicContact CG2-CG2 3.7Å; V9-I113 CarbonylContact C-O 3.46Å; V9-I113 PolarHBondContact N-O 2.84Å; V9-I115 PolarHBondContact O-N 2.81Å
10L71.9Confident68.1Low49 Ų4980.2 Ų80.226%0.25747%0.473SS..EExtended strand (participates in β ladder)trans-88122.1171.6-80.1157.1000109.3G12 V14 L15 I115 L187L10-G12 PolarHBondContact O-N 3.15Å; L10-V14 HydrophobicContact CD2-CG1 4.07Å; L10-L15 HydrophobicContact CB-CB 4.49Å; L10-L15 HydrophobicContact CD1-CD1 4.49Å; L10-I115 HydrophobicContact CD2-CB 4.04Å; L10-I115 HydrophobicContact CD2-CD1 3.48Å; L10-I115 VanDerWaalsContact CD2-CD1 3.48Å; L10-I115 HydrophobicContact CD2-CG1 4.33Å; L10-I115 HydrophobicContact CD2-CG2 4.17Å; L10-I115 HydrophobicContact CG-CD1 3.98Å; L10-L187 HydrophobicContact CD1-CD2 4.25Å
11S72.1Confident68.1Low55 Ų5577.6 Ų77.639%0.38546%0.457SS..  trans-55132.6166.9172.60000110F13 V14 L15S11-F13 PolarHBondContact O-N 2.79Å; S11-F13 PolarHBondContact OG-N 2.75Å; S11-V14 WeakPolarHBondContact O-CA 3.19Å; S11-V14 WeakPolarHBondContact O-CB 3.02Å; S11-V14 PolarHBondContact O-N 3.06Å; S11-L15 PolarHBondContact O-N 3.41Å
12G73.8Confident69.1Low60 Ų6068 Ų6862%0.61941%0.409SS*.Hα-helixtrans-57.1-24.417900000113.5L10 G16L10-G12 PolarHBondContact O-N 3.15Å; G12-G16 PolarHBondContact O-N 3.48Å
13F75.9Confident69.9Low161 Ų16163.7 Ų63.771%0.70639%0.392SS*.Hα-helixtrans-69.4-42.4170.6177.3-97.9000112.5S11 A17S11-F13 PolarHBondContact O-N 2.79Å; S11-F13 PolarHBondContact OG-N 2.75Å; F13-A17 VanDerWaalsContact O-CB 3.24Å; F13-A17 WeakPolarHBondContact O-CB 3.49Å; F13-A17 PolarHBondContact O-N 2.99Å
14V75.1Confident70.1Confident6 Ų663.8 Ų63.84%0.03638%0.379CS..Hα-helixtrans-68.7-46.4177.3176.20000110.2L10 S11 G16 A17 L18 I115L10-V14 HydrophobicContact CD2-CG1 4.07Å; S11-V14 WeakPolarHBondContact O-CA 3.19Å; S11-V14 WeakPolarHBondContact O-CB 3.02Å; S11-V14 PolarHBondContact O-N 3.06Å; V14-G16 PolarHBondContact O-N 2.68Å; V14-A17 PolarHBondContact O-N 2.97Å; V14-L18 HydrophobicContact CG1-CD1 4.01Å; V14-L18 HydrophobicContact CG1-CG 4.5Å; V14-L18 WeakPolarHBondContact O-CB 3.14Å; V14-L18 WeakPolarHBondContact O-CG 3.24Å; V14-L18 PolarHBondContact O-N 2.95Å; V14-I115 HydrophobicContact CG1-CG2 4.07Å
15L77.4Confident70Confident86 Ų8658.2 Ų58.245%0.4535%0.354SS..Hα-helixtrans-60-45.7175.3-176.363.1000111.3L10 S11 A17 L18 A19L10-L15 HydrophobicContact CB-CB 4.49Å; L10-L15 HydrophobicContact CD1-CD1 4.49Å; S11-L15 PolarHBondContact O-N 3.41Å; L15-A17 PolarHBondContact O-N 2.97Å; L15-L18 PolarHBondContact O-N 3.03Å; L15-A19 VanDerWaalsContact O-CB 3.28Å; L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.47Å
16G78.4Confident69.4Low39 Ų3958.9 Ų58.940%0.40235%0.354SS..Hα-helixtrans-63.3-38.2175.700000113.3G12 V14 F20G12-G16 PolarHBondContact O-N 3.48Å; V14-G16 PolarHBondContact O-N 2.68Å; G16-F20 WeakPolarHBondContact O-CB 3.18Å; G16-F20 PolarHBondContact O-N 2.94Å
17A75.8Confident68.3Low21 Ų2158 Ų5817%0.17435%0.352CS..Hα-helixtrans-67.7-41.1175.600000112.4F13 V14 L15 Q21 Y118F13-A17 VanDerWaalsContact O-CB 3.24Å; F13-A17 WeakPolarHBondContact O-CB 3.49Å; F13-A17 PolarHBondContact O-N 2.99Å; V14-A17 PolarHBondContact O-N 2.97Å; L15-A17 PolarHBondContact O-N 2.97Å; A17-Q21 WeakPolarHBondContact O-CG 3.45Å; A17-Q21 PolarHBondContact O-N 2.93Å; A17-Q21 PolarHBondContact O-NE2 3.1Å; A17-Y118 HydrophobicContact CB-CE1 4.48Å
18L78.5Confident67.2Low0 Ų060.6 Ų60.60%036%0.363CS..Hα-helixtrans-67.5-44.3175.4-71.4170.5000111.4V14 L15 Q21 H22 Y154 F156 L187V14-L18 HydrophobicContact CG1-CD1 4.01Å; V14-L18 HydrophobicContact CG1-CG 4.5Å; V14-L18 WeakPolarHBondContact O-CB 3.14Å; V14-L18 WeakPolarHBondContact O-CG 3.24Å; V14-L18 PolarHBondContact O-N 2.95Å; L15-L18 PolarHBondContact O-N 3.03Å; L18-Q21 WeakPolarHBondContact O-CB 3.24Å; L18-Q21 PolarHBondContact O-N 2.84Å; L18-H22 PolarHBondContact O-N 3.47Å; L18-Y154 HydrophobicContact CD2-CD2 4.42Å; L18-Y154 HydrophobicContact CD2-CE1 4.46Å; L18-Y154 HydrophobicContact CD2-CE2 4.25Å; L18-F156 HydrophobicContact CB-CZ 4.2Å; L18-F156 HydrophobicContact CD2-CE2 4.41Å; L18-F156 HydrophobicContact CD2-CZ 3.92Å; L18-F156 WeakPolarHBondContact O-CZ 3.44Å; L18-L187 HydrophobicContact CD1-CD2 4.18Å
19A75.3Confident66.3Low42 Ų4263 Ų6335%0.34737%0.371SS..Hα-helixtrans-64.6-39.9176.300000112.2L15 Q21 H22 L23L15-A19 VanDerWaalsContact O-CB 3.28Å; L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.47Å; A19-Q21 VanDerWaalsContact C-N 3.34Å; A19-Q21 PolarHBondContact O-N 2.87Å; A19-H22 PolarHBondContact O-N 2.88Å; A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 3.1Å
20F72.3Confident65.1Low123 Ų12365.3 Ų65.354%0.53939%0.385SS..Hα-helixtrans-66.3-35.7174.7-172.1-106.9000111.9G16 N24G16-F20 WeakPolarHBondContact O-CB 3.18Å; G16-F20 PolarHBondContact O-N 2.94Å; F20-N24 VanDerWaalsContact CD1-ND2 3.3Å; F20-N24 WeakPolarHBondContact CD1-ND2 3.35Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.41Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.35Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.5Å; F20-N24 PolarHBondContact O-N 2.82Å; F20-N24 VanDerWaalsContact O-N 3.15Å; F20-N24 PolarHBondContact O-ND2 2.87Å
21Q68.8Low63.7Low27 Ų2768.3 Ų68.313%0.12641%0.41CS..Hα-helixtrans-60.3-50.4169.7-78.1161.67400110.5A17 L18 A19 L23 N24 T25 V81 Y118 F156A17-Q21 WeakPolarHBondContact O-CG 3.45Å; A17-Q21 PolarHBondContact O-N 2.93Å; A17-Q21 PolarHBondContact O-NE2 3.1Å; L18-Q21 WeakPolarHBondContact O-CB 3.24Å; L18-Q21 PolarHBondContact O-N 2.84Å; A19-Q21 VanDerWaalsContact C-N 3.34Å; A19-Q21 PolarHBondContact O-N 2.87Å; Q21-L23 PolarHBondContact O-N 3.49Å; Q21-N24 PolarHBondContact O-N 2.77Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 VanDerWaalsContact O-N 3.09Å; Q21-T25 PolarHBondContact O-OG1 3.05Å; Q21-V81 HydrophobicContact CB-CG1 3.8Å; Q21-V81 HydrophobicContact CG-CG1 4.25Å; Q21-Y118 PolarHBondContact NE2-OH 2.62Å; Q21-Y118 VanDerWaalsContact NE2-OH 3.1Å; Q21-F156 HydrophobicContact CB-CZ 4.47Å
22H64.3Low62.1Low39 Ų3977.9 Ų77.918%0.18144%0.438CS..Hα-helixtrans-57.2-47.8178.1-167.4-93.4000112.7L18 A19 N24 T25 D26 F156L18-H22 PolarHBondContact O-N 3.47Å; A19-H22 PolarHBondContact O-N 2.88Å; H22-N24 PolarHBondContact O-N 2.97Å; H22-T25 WeakPolarHBondContact O-CA 3.08Å; H22-T25 WeakPolarHBondContact O-CB 3.41Å; H22-T25 PolarHBondContact O-N 3.08Å; H22-T25 PolarHBondContact O-OG1 2.93Å; H22-D26 IonicContact CE1-OD2 3.91Å; H22-D26 IonicContact ND1-OD2 3.99Å; H22-D26 PolarHBondContact O-N 3.34Å; H22-F156 HydrophobicContact CB-CD1 4.16Å; H22-F156 HydrophobicContact CB-CE1 3.87Å; H22-F156 AromaticContact CD2-CD1 3.49Å; H22-F156 VanDerWaalsContact CD2-CD1 3.49Å; H22-F156 WeakPolarHBondContact CD2-CD1 3.31Å
23L63.4Low60.3Low113 Ų11378.3 Ų78.359%0.59244%0.442SS*.Hα-helixtrans-66.9-33.3-178.6-68.3172.3000114A19 Q21 T25 D26A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 3.1Å; Q21-L23 PolarHBondContact O-N 3.49Å; L23-T25 PolarHBondContact O-N 3.14Å; L23-D26 PolarHBondContact O-N 3.26Å
24N57.1Low58.3Low56 Ų5677.7 Ų77.730%0.29945%0.452SS..Hα-helixtrans-71.8-23.5172-72.6-69.7000112.1F20 Q21 H22 D26 S27F20-N24 VanDerWaalsContact CD1-ND2 3.3Å; F20-N24 WeakPolarHBondContact CD1-ND2 3.35Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.41Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.35Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.5Å; F20-N24 PolarHBondContact O-N 2.82Å; F20-N24 VanDerWaalsContact O-N 3.15Å; F20-N24 PolarHBondContact O-ND2 2.87Å; Q21-N24 PolarHBondContact O-N 2.77Å; H22-N24 PolarHBondContact O-N 2.97Å; N24-D26 VanDerWaalsContact C-N 3.3Å; N24-D26 PolarHBondContact O-N 2.94Å; N24-S27 PolarHBondContact O-N 3.46Å
25T56.1Low56.5Low10 Ų1080.9 Ų80.96%0.06149%0.486CS..Hα-helixtrans-66.4-32.2177-53.60000111.5Q21 H22 L23 S27 V81 R158Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 VanDerWaalsContact O-N 3.09Å; Q21-T25 PolarHBondContact O-OG1 3.05Å; H22-T25 WeakPolarHBondContact O-CA 3.08Å; H22-T25 WeakPolarHBondContact O-CB 3.41Å; H22-T25 PolarHBondContact O-N 3.08Å; H22-T25 PolarHBondContact O-OG1 2.93Å; L23-T25 PolarHBondContact O-N 3.14Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 2.77Å; T25-V81 HydrophobicContact CG2-CB 4.36Å; T25-V81 HydrophobicContact CG2-CG2 4.46Å; T25-V81 VanDerWaalsContact OG1-CB 3.23Å; T25-V81 WeakPolarHBondContact OG1-CB 3.1Å; T25-V81 VanDerWaalsContact OG1-CG1 3.24Å; T25-V81 WeakPolarHBondContact OG1-CG1 3.3Å; T25-V81 VanDerWaalsContact OG1-CG2 3.29Å; T25-V81 WeakPolarHBondContact OG1-CG2 3.21Å; T25-R158 PolarHBondContact O-NH1 2.83Å
26D48.9Very low54.3Low62 Ų6288.9 Ų88.933%0.33251%0.51SS..G310 helixtrans-72.5-14.8-178.8-79.4-40.4000115.1H22 L23 N24 D28H22-D26 IonicContact CE1-OD2 3.91Å; H22-D26 IonicContact ND1-OD2 3.99Å; H22-D26 PolarHBondContact O-N 3.34Å; L23-D26 PolarHBondContact O-N 3.26Å; N24-D26 VanDerWaalsContact C-N 3.3Å; N24-D26 PolarHBondContact O-N 2.94Å; D26-D28 VanDerWaalsContact C-N 3.33Å; D26-D28 PolarHBondContact O-N 2.91Å
27S43.8Very low52.2Low86 Ų8690.3 Ų90.360%0.60153%0.525SS*.G310 helixtrans-77.1-9.5-171-66.90000115.7N24 T25N24-S27 PolarHBondContact O-N 3.46Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 2.77Å
28D43.8Very low50.3Low99 Ų9995.9 Ų95.953%0.52956%0.56SS.*G310 helixtrans-98.718.5-169.6-89.5-22000115.5D26 S79D26-D28 VanDerWaalsContact C-N 3.33Å; D26-D28 PolarHBondContact O-N 2.91Å; D28-S79 VanDerWaalsContact OD2-CA 3.28Å; D28-S79 WeakPolarHBondContact OD2-CA 3.43Å; D28-S79 WeakPolarHBondContact OD2-CB 3.37Å
29T47.2Very low48Very low112 Ų112100.6 Ų100.669%0.68760%0.599SS**SBendtrans-101.8-6-179.356.40000116.1
30V47.4Very low46.2Very low125 Ų125104.1 Ų104.176%0.75862%0.62SS**SBendtrans-123.592.1-177.2-177.40000112.3
31S43.5Very low44.8Very low113 Ų113104.2 Ų104.279%0.7963%0.633SS**  trans169.278.5136.5-79.20000113.6
32R37.4Very low43Very low256 Ų256106.4 Ų106.497%0.96666%0.663SS**  trans-140.154.3155.4-79.2-158.6173.71770.2113
33G36.1Very low41.5Very low69 Ų69114 Ų11471%0.71170%0.696SS**  trans-101.6100.2162.700000111
34T34.1Very low40.3Very low147 Ų147114.2 Ų114.290%0.90271%0.706SS**  trans163.6120.8145.1480000108.8
35G36.4Very low39.6Very low73 Ų73117 Ų11775%0.75373%0.728SS**  trans-86.8164.5177.100000113.6
36R32.6Very low38.7Very low254 Ų254120.7 Ų120.796%0.95876%0.759SS**  trans-161.2137.5148.9-104.9163.1-168.4-138.21107.8
37G32.5Very low37.9Very low70 Ų70129.9 Ų129.972%0.72279%0.789SS**  trans-77.3168.1-17200000114.1
38P36.2Very low37.3Very low138 Ų138129.3 Ų129.390%0.89680%0.797SS**  trans-83.6128.9177.132.7-31.8000111.6
39A31.5Very low37Very low99 Ų99132.7 Ų132.782%0.81881%0.814SS**  trans-107.7126.4161.300000109.2
40S37.2Very low37.1Very low115 Ų115132.8 Ų132.880%0.80482%0.816SS**  trans-64.6154.5165.5-46.50000109.8
41P42.4Very low37.1Very low125 Ų125132.6 Ų132.681%0.81282%0.818SS**  -154.8153.676.438.8-18.7000118.4
42G31Very low36.8Very low73 Ų73138.2 Ų138.275%0.75382%0.822SS**  75.1129.9117.900000123.6
43K32.8Very low36.5Very low199 Ų199131.7 Ų131.787%0.86581%0.814SS**  trans81.299.1147.3-68.4179.9173178.40121.2
44S38.7Very low36.4Very low117 Ų117134.1 Ų134.182%0.81882%0.819SS**  59.5155.7105.8-60.70000122.7
45P42.8Very low36.6Very low116 Ų116132.6 Ų132.675%0.75381%0.814SS**  trans-121.6163.3-13943.2-34.1000118.5
46A36.4Very low36.6Very low87 Ų87132.4 Ų132.472%0.71981%0.812SS**  trans38.9119.5140.700000122.1
47R31.3Very low37.3Very low255 Ų255126.5 Ų126.596%0.96281%0.807SS**  trans-173.5144.4137-111.8172-81.1-157.5-1.9111.4
48G31.1Very low37.7Very low73 Ų73135 Ų13575%0.75382%0.817SS**  trans139.595.716300000117.8
49L37.4Very low38Very low170 Ų170134.1 Ų134.189%0.8981%0.811SS**  trans-5.3155.8165.3-78.676000123.8
50P49.9Very low38.8Very low114 Ų114137.1 Ų137.174%0.7481%0.813SS**  trans-91.8170.2170.140.3-36.4000113.6
51P47.9Very low39Very low122 Ų122137.4 Ų137.479%0.79281%0.812SS**  -145139.4107.933.6-16.7000117.2
52R37.6Very low39.1Very low231 Ų231143.5 Ų143.587%0.87282%0.818SS**  trans21.7137.7134.3-72.1179.2176.6-103.1-0.8122.9
53C29.6Very low39.6Very low118 Ų118151.6 Ų151.680%0.79783%0.826SS**  trans82.2155.1151.3-690000117.6
54C35.9Very low40.2Very low121 Ų121153.4 Ų153.482%0.81883%0.828SS**  cis-136.1-164.85.9-145.10000114.5
55S37.4Very low40.2Very low114 Ų114159.5 Ų159.580%0.79783%0.833SS**  trans-93.3156.8-17349.60000115.7
56G36.3Very low40.2Very low69 Ų69158 Ų15871%0.71183%0.83SS**  trans155.3112.7159.900000115.9
57P46.6Very low40.6Very low130 Ų130160.1 Ų160.184%0.84484%0.84SS**  trans-89.1139.7174.934.3-31.9000112.1
58R41.5Very low41.2Very low248 Ų248151.8 Ų151.894%0.93682%0.82SS**  trans-137.9155.4168.1-79.5-162.7-171.7-141.81.5112.1
59P41.9Very low42.1Very low120 Ų120156.8 Ų156.878%0.77983%0.829SS**  trans-99.7163-136.836-36.3000116
60L48.1Very low42.4Very low163 Ų163159.3 Ų159.385%0.85383%0.827SS**  trans-57.5134.4174.6-63.7164.4000112.8R62L60-R62 PolarHBondContact O-N 3.43Å
61P41.5Very low41.9Very low120 Ų120158.7 Ų158.778%0.77983%0.825SS**  trans-73.6115.2161.629.5-30.7000109.9R63P61-R63 PolarHBondContact O-N 2.88Å
62R45.7Very low41.7Very low253 Ų253165.2 Ų165.296%0.95583%0.834SS**  trans-60.5101.3170.4-82.5178.7164.9172.8-4110.5L60L60-R62 PolarHBondContact O-N 3.43Å
63R41.6Very low42.2Very low243 Ų243160.9 Ų160.992%0.91783%0.827SS**  trans-101.791.4167.3-146.1178-166-150.44.6110.7P61 R65P61-R63 PolarHBondContact O-N 2.88Å; R63-R65 PolarHBondContact O-N 3.41Å
64R45.8Very low43Very low238 Ų238160.3 Ų160.390%0.89882%0.824SS**  trans-63.3121.9161.1-81.2-175.7169.8-162.6-2.1108.4
65R38.9Very low43.4Very low245 Ų245163 Ų16393%0.92583%0.829SS**  trans-170150.6139.3-111.6171.6-161.9-123.61113.2R63R63-R65 PolarHBondContact O-N 3.41Å
66A41.1Very low43.7Very low85 Ų85164.3 Ų164.370%0.70283%0.826SS**  trans58.891.5162.400000116.9S68A66-S68 PolarHBondContact O-N 2.83Å
67S46.4Very low43.8Very low131 Ų131165 Ų16592%0.91682%0.82SS**  trans-60.571.7140.550.50000110L69S67-L69 PolarHBondContact O-N 3.22Å
68S42.9Very low44.1Very low79 Ų79162.5 Ų162.555%0.55280%0.804SS**  trans-84.6101164.5-171.80000106.9A66 R70A66-S68 PolarHBondContact O-N 2.83Å; S68-R70 PolarHBondContact O-N 3.36Å
69L49.5Very low44.3Very low178 Ų178155 Ų15593%0.93279%0.79SS**  trans-73.251.5172-154.682.5000110.1S67 S71S67-L69 PolarHBondContact O-N 3.22Å; L69-S71 PolarHBondContact O-N 3.2Å; L69-S71 VanDerWaalsContact O-N 3.15Å
70R44.2Very low44.9Very low223 Ų223152 Ų15284%0.84278%0.775SS**  trans-69.8110.2169.7-93.3-177.6175.5-120.6-1.2107.5S68 R72S68-R70 PolarHBondContact O-N 3.36Å; R70-R72 PolarHBondContact O-N 2.85Å
71S40.5Very low45.4Very low102 Ų102145.9 Ų145.971%0.71374%0.744SS**  trans-19.5123.5169.3-46.50000113.7L69 L73L69-S71 PolarHBondContact O-N 3.2Å; L69-S71 VanDerWaalsContact O-N 3.15Å; S71-L73 PolarHBondContact O-N 3.09Å
72R43.7Very low46.5Very low259 Ų259140.3 Ų140.398%0.97771%0.708SS**THydrogen-bonded Turntrans-7260.1171.7-65-177.4-179.5-136.64.5111.1R70R70-R72 PolarHBondContact O-N 2.85Å
73L48Very low48.2Very low139 Ų139131.8 Ų131.873%0.72868%0.679SS**THydrogen-bonded Turntrans-123.5-1.1-179.8-148.974.2000113.5S71S71-L73 PolarHBondContact O-N 3.09Å
74C46.2Very low50.5Low107 Ų107120.3 Ų120.372%0.72364%0.636SS**SBendtrans-12656.4-177.8-63.30000112.7
75L42.7Very low52.6Low177 Ų177109 Ų10993%0.92759%0.593SS**  trans-141.729.8166.7-75-177.9000112.6
76L44.5Very low55.1Low141 Ų14197.3 Ų97.374%0.73855%0.549SS*.SBendtrans-105.2126.4161.6-78.9158.9000107.4
77S38.9Very low57.5Low84 Ų8493.3 Ų93.359%0.58752%0.516SS*.  trans-59141.5179.7-46.90000110.8S79S77-S79 PolarHBondContact O-N 3.26Å; S77-S79 VanDerWaalsContact O-N 3.11Å
78P51.5Low59.6Low77 Ų7787.5 Ų87.550%0.547%0.474SS..THydrogen-bonded Turntrans-55.5-30.8179.8-27.235.2000114.3A80 V81P78-A80 PolarHBondContact O-N 2.99Å; P78-A80 VanDerWaalsContact O-N 3.08Å; P78-V81 WeakPolarHBondContact O-CG2 3.32Å
79S47Very low61.8Low92 Ų9284 Ų8464%0.64345%0.451SS*.THydrogen-bonded Turntrans-79.617-171.172.60000116D28 S77D28-S79 VanDerWaalsContact OD2-CA 3.28Å; D28-S79 WeakPolarHBondContact OD2-CA 3.43Å; D28-S79 WeakPolarHBondContact OD2-CB 3.37Å; S77-S79 PolarHBondContact O-N 3.26Å; S77-S79 VanDerWaalsContact O-N 3.11Å
80A55Low63.5Low56 Ų5679.5 Ų79.546%0.46343%0.425SS..  trans-142.447-176.800000111.4P78 Y122P78-A80 PolarHBondContact O-N 2.99Å; P78-A80 VanDerWaalsContact O-N 3.08Å; A80-Y122 VanDerWaalsContact O-CD1 3.22Å; A80-Y122 WeakPolarHBondContact O-CD1 3.19Å; A80-Y122 WeakPolarHBondContact O-CE1 3.48Å
81V57.4Low65.3Low34 Ų3472.3 Ų72.321%0.20641%0.406CS..  trans-79.9129.5175.4-154.90000109.2Q21 T25 P78 E83Q21-V81 HydrophobicContact CB-CG1 3.8Å; Q21-V81 HydrophobicContact CG-CG1 4.25Å; T25-V81 HydrophobicContact CG2-CB 4.36Å; T25-V81 HydrophobicContact CG2-CG2 4.46Å; T25-V81 VanDerWaalsContact OG1-CB 3.23Å; T25-V81 WeakPolarHBondContact OG1-CB 3.1Å; T25-V81 VanDerWaalsContact OG1-CG1 3.24Å; T25-V81 WeakPolarHBondContact OG1-CG1 3.3Å; T25-V81 VanDerWaalsContact OG1-CG2 3.29Å; T25-V81 WeakPolarHBondContact OG1-CG2 3.21Å; P78-V81 WeakPolarHBondContact O-CG2 3.32Å; V81-E83 PolarHBondContact O-N 3.38Å
82P64.6Low67.2Low4 Ų471 Ų713%0.02639%0.388CS..  trans-77.5111.4-172.828.2-30.2000109.8E84 P120 C121 Y122 F156P82-E84 PolarHBondContact O-N 3.48Å; P82-P120 HydrophobicContact CB-CB 3.59Å; P82-P120 HydrophobicContact CG-CB 3.24Å; P82-P120 HydrophobicContact CG-CG 4.46Å; P82-C121 WeakPolarHBondContact CB-O 3.34Å; P82-Y122 HydrophobicContact CB-CD1 3.76Å; P82-Y122 HydrophobicContact CB-CE1 3.96Å; P82-Y122 HydrophobicContact CB-CG 4.16Å; P82-Y122 HydrophobicContact CG-CD1 4.04Å; P82-Y122 HydrophobicContact CG-CE1 3.72Å; P82-F156 WeakPolarHBondContact O-CD2 3.48Å
83E81.4Confident68.2Low74 Ų7461.3 Ų61.335%0.34637%0.368SS..SBendtrans-67.2-19.3-176.8-60.6-171.1153.700113.1V81 K155 F156V81-E83 PolarHBondContact O-N 3.38Å; E83-K155 CarbonylContact O-C 3.5Å; E83-K155 VanDerWaalsContact O-CA 3.31Å; E83-K155 WeakPolarHBondContact O-CA 3.28Å; E83-K155 WeakPolarHBondContact O-CG 3.38Å; E83-F156 PolarHBondContact O-N 3.11Å
84E89.1Confident69.1Low1 Ų160.2 Ų60.21%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-140159.3-179.560-167-163.300111.6P82 C121 F125 F127 Y128 Y154 K155P82-E84 PolarHBondContact O-N 3.48Å; E84-C121 HydrophobicContact CG-CB 4.03Å; E84-C121 WeakPolarHBondContact O-CA 3.34Å; E84-C121 WeakPolarHBondContact O-CB 3.22Å; E84-C121 PolarHBondContact O-N 3.45Å; E84-F125 PolarHBondContact OE1-N 3.41Å; E84-F127 HydrophobicContact CG-CE1 4.19Å; E84-Y128 WeakPolarHBondContact OE1-CE1 3.47Å; E84-Y128 WeakPolarHBondContact OE2-CE1 3.33Å; E84-Y128 PolarHBondContact OE2-OH 3.08Å; E84-Y154 WeakPolarHBondContact CA-O 3.5Å; E84-K155 HydrophobicContact CB-CG 4.39Å
85G91.1Very high69.6Low0 Ų058.6 Ų58.60%035%0.353CS..EExtended strand (participates in β ladder)trans179-178.2177.700000114.2I119 W153 Y154G85-I119 CarbonylContact C-O 3.59Å; G85-I119 WeakPolarHBondContact CA-O 3.1Å; G85-W153 CarbonylContact O-C 3.55Å; G85-W153 VanDerWaalsContact O-CA 3.28Å; G85-W153 WeakPolarHBondContact O-CA 3.45Å; G85-W153 WeakPolarHBondContact O-CB 3.43Å; G85-Y154 VanDerWaalsContact C-CE1 3.48Å; G85-Y154 VanDerWaalsContact CA-CE1 3.45Å; G85-Y154 PolarHBondContact N-O 2.82Å; G85-Y154 WeakPolarHBondContact O-CD1 3.42Å; G85-Y154 PolarHBondContact O-N 2.88Å
86F92Very high70.6Confident1 Ų156.1 Ų56.10%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-106.5146.8-178.5-66.8-81.8000112.2Y118 I119 F127 L139 I142 L143 V150 W153 L175 F179F86-Y118 CarbonylContact O-C 3.54Å; F86-Y118 VanDerWaalsContact O-CA 3.24Å; F86-Y118 WeakPolarHBondContact O-CA 3.22Å; F86-I119 HydrophobicContact CB-CB 4.37Å; F86-I119 PolarHBondContact N-O 3.07Å; F86-I119 PolarHBondContact O-N 3.31Å; F86-F127 HydrophobicContact CE1-CE2 4.47Å; F86-F127 AromaticContact CE2-CD1 3.97Å; F86-F127 HydrophobicContact CE2-CD1 3.97Å; F86-F127 HydrophobicContact CE2-CD2 4.41Å; F86-F127 HydrophobicContact CE2-CE1 4.11Å; F86-F127 HydrophobicContact CE2-CG 4.13Å; F86-F127 HydrophobicContact CE2-CZ 4.37Å; F86-F127 HydrophobicContact CZ-CD1 4.09Å; F86-F127 AromaticContact CZ-CD2 3.74Å; F86-F127 HydrophobicContact CZ-CD2 3.74Å; F86-F127 HydrophobicContact CZ-CE1 4.12Å; F86-F127 AromaticContact CZ-CE2 3.74Å; F86-F127 HydrophobicContact CZ-CE2 3.74Å; F86-F127 AromaticContact CZ-CG 3.92Å; F86-F127 HydrophobicContact CZ-CG 3.92Å; F86-F127 AromaticContact CZ-CZ 3.94Å; F86-F127 HydrophobicContact CZ-CZ 3.94Å; F86-L139 HydrophobicContact CE1-CD1 3.98Å; F86-L139 HydrophobicContact CE2-CD1 3.82Å; F86-L139 HydrophobicContact CZ-CD1 3.31Å; F86-I142 HydrophobicContact CD2-CG2 4.31Å; F86-I142 HydrophobicContact CE2-CG2 4.39Å; F86-L143 HydrophobicContact CB-CD2 4.21Å; F86-L143 HydrophobicContact CD1-CD1 4.24Å; F86-L143 HydrophobicContact CD2-CD1 4.45Å; F86-L143 HydrophobicContact CD2-CD2 4.01Å; F86-L143 HydrophobicContact CD2-CG 4.5Å; F86-L143 HydrophobicContact CE1-CD1 4.24Å; F86-L143 HydrophobicContact CE2-CD1 4.44Å; F86-L143 HydrophobicContact CG-CD1 4.36Å; F86-L143 HydrophobicContact CG-CD2 4.02Å; F86-L143 HydrophobicContact CZ-CD1 4.35Å; F86-V150 HydrophobicContact CD1-CG1 4.14Å; F86-W153 HydrophobicContact CD1-CB 4.01Å; F86-W153 HydrophobicContact CE1-CB 4.21Å; F86-L175 HydrophobicContact CE1-CD2 4.37Å; F86-F179 HydrophobicContact CE1-CE2 4.36Å; F86-F179 HydrophobicContact CE1-CZ 4.33Å
87L91.3Very high71.3Confident0 Ų054.3 Ų54.30%033%0.326CS..EExtended strand (participates in β ladder)trans-103.3127.8173.8-59.8172.5000108.8I115 V151 G152 Y154 L187L87-I115 HydrophobicContact CB-CG2 4.4Å; L87-I115 HydrophobicContact CD1-CD1 4.06Å; L87-I115 HydrophobicContact CD2-CG2 4.21Å; L87-V151 HydrophobicContact CB-CG2 4.14Å; L87-V151 PolarHBondContact O-N 3.16Å; L87-V151 VanDerWaalsContact O-N 3.09Å; L87-G152 PolarHBondContact N-O 2.89Å; L87-G152 PolarHBondContact O-N 3.2Å; L87-Y154 HydrophobicContact CD2-CD1 3.67Å; L87-Y154 HydrophobicContact CD2-CE1 4.47Å; L87-Y154 HydrophobicContact CD2-CG 4.36Å; L87-Y154 HydrophobicContact CG-CD1 4.07Å; L87-L187 HydrophobicContact CD1-CB 3.84Å; L87-L187 HydrophobicContact CD1-CD2 4.11Å
88L90.4Very high72.1Confident9 Ų952.7 Ų52.75%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-113.9134.9178.9-61.6178.2000110.3Q116 K117 I119 V146 N149 V150L88-Q116 PolarHBondContact O-N 2.86Å; L88-K117 WeakPolarHBondContact CA-O 3.02Å; L88-K117 HydrophobicContact CB-CB 4.14Å; L88-K117 HydrophobicContact CD1-CD 4.2Å; L88-K117 HydrophobicContact CD1-CG 4.28Å; L88-K117 PolarHBondContact N-O 3.23Å; L88-K117 PolarHBondContact O-N 2.8Å; L88-I119 HydrophobicContact CD1-CD1 3.75Å; L88-I119 HydrophobicContact CD1-CG1 3.88Å; L88-I119 HydrophobicContact CG-CD1 4.43Å; L88-I119 HydrophobicContact CG-CG1 4.46Å; L88-V146 HydrophobicContact CD1-CB 3.96Å; L88-V146 HydrophobicContact CD1-CG1 3.88Å; L88-V146 HydrophobicContact CD1-CG2 4.22Å; L88-V146 HydrophobicContact CD2-CB 4Å; L88-V146 HydrophobicContact CD2-CG2 4.06Å; L88-N149 CarbonylContact C-O 3.57Å; L88-N149 WeakPolarHBondContact CA-O 3.49Å; L88-N149 HydrophobicContact CD2-CB 4.34Å; L88-V150 HydrophobicContact CD2-CB 4.38Å; L88-V150 HydrophobicContact CD2-CG2 3.7Å
89G89.2Confident72.4Confident6 Ų656.9 Ų56.96%0.06233%0.331CS..EExtended strand (participates in β ladder)trans-179.9-156.8-174.100000112.2D114 N149 V151G89-D114 CarbonylContact C-O 3.53Å; G89-D114 WeakPolarHBondContact CA-O 3.14Å; G89-N149 PolarHBondContact N-O 2.98Å; G89-V151 VanDerWaalsContact C-CG1 3.45Å
90E85.5Confident72.8Confident83 Ų8357 Ų5739%0.38833%0.328SS..EExtended strand (participates in β ladder)trans-139152.8175.660.1-167.8171.500110.5K92 D114 Q116E90-K92 VanDerWaalsContact CD-CE 3.48Å; E90-K92 WeakPolarHBondContact OE1-CE 3.41Å; E90-K92 IonicContact OE1-NZ 2.75Å; E90-K92 PolarHBondContact OE1-NZ 2.92Å; E90-D114 HydrophobicContact CG-CB 4.14Å; E90-D114 PolarHBondContact N-O 3.36Å; E90-D114 PolarHBondContact O-N 3.44Å; E90-Q116 VanDerWaalsContact CD-NE2 3.25Å; E90-Q116 PolarHBondContact OE1-NE2 2.86Å
91V81.8Confident73Confident73 Ų7362.5 Ų62.544%0.44235%0.35SS..EExtended strand (participates in β ladder)trans-105.1123.8174.3-172.20000107.9Y111 I113 V151V91-Y111 HydrophobicContact CG1-CD1 4.35Å; V91-I113 HydrophobicContact CG1-CG1 4.18Å; V91-I113 HydrophobicContact CG2-CG1 4.18Å; V91-V151 HydrophobicContact CG2-CG1 4.09Å
92K79Confident73Confident75 Ų7565.8 Ų65.833%0.32637%0.374SS..EExtended strand (participates in β ladder)trans-111.2118.8179.1-70.7166.5179.2152.70108.5E90 T112 D114E90-K92 VanDerWaalsContact CD-CE 3.48Å; E90-K92 WeakPolarHBondContact OE1-CE 3.41Å; E90-K92 IonicContact OE1-NZ 2.75Å; E90-K92 PolarHBondContact OE1-NZ 2.92Å; K92-T112 PolarHBondContact N-O 2.87Å; K92-T112 PolarHBondContact O-N 3.48Å; K92-D114 IonicContact NZ-OD2 3.08Å; K92-D114 PolarHBondContact NZ-OD2 2.82Å
93G65.8Low73Confident54 Ų5475 Ų7556%0.55742%0.417SS*.EExtended strand (participates in β ladder)trans-87.5115.3169.500000109.7
94E66Low71.7Confident117 Ų11777.7 Ų77.755%0.54743%0.431SS..EExtended strand (participates in β ladder)trans-108.8116.2174.7-66.5-172.6-177.500109.3K96 V110E94-K96 PolarHBondContact O-N 3.39Å; E94-V110 PolarHBondContact N-O 2.91Å; E94-V110 PolarHBondContact O-N 2.85Å
95A57.8Low69.9Low73 Ų7384.7 Ų84.760%0.60347%0.468SS*.EExtended strand (participates in β ladder)trans-77.1116.6173.800000109.3V107A95-V107 HydrophobicContact CB-CG1 4.42Å
96K64.1Low68.3Low125 Ų12589.5 Ų89.554%0.54349%0.494SS..EExtended strand (participates in β ladder)trans-110.5103.7-176.6-170.6-177.7176.8-166.80109.9E94 S98 E108 V110E94-K96 PolarHBondContact O-N 3.39Å; K96-S98 PolarHBondContact O-N 3.16Å; K96-E108 WeakPolarHBondContact CB-O 3.49Å; K96-E108 PolarHBondContact N-O 3.25Å; K96-E108 PolarHBondContact O-N 2.85Å; K96-V110 HydrophobicContact CB-CG2 4.24Å; K96-V110 HydrophobicContact CD-CG2 4.26Å
97N59.2Low66.6Low102 Ų10293.3 Ų93.355%0.54552%0.518SS..EExtended strand (participates in β ladder)trans-73.8113.3174.9-6318.1000109.1I99N97-I99 PolarHBondContact O-N 3.34Å; N97-I99 VanDerWaalsContact O-N 3.14Å
98S55.1Low65.3Low51 Ų5196.5 Ų96.536%0.35753%0.532SS..  trans-80.192.3173.461.80000110.3K96 T100 D106K96-S98 PolarHBondContact O-N 3.16Å; S98-T100 PolarHBondContact O-N 2.89Å; S98-D106 PolarHBondContact OG-O 2.74Å; S98-D106 VanDerWaalsContact OG-O 3.07Å
99I56.7Low64Low164 Ų16498.5 Ų98.584%0.84155%0.545SS*.  trans-76.191.9176.2-52.8176.2000109.1N97N97-I99 PolarHBondContact O-N 3.34Å; N97-I99 VanDerWaalsContact O-N 3.14Å
100T56Low63.1Low95 Ų9599.3 Ų99.358%0.58355%0.549SS*.  trans-99.8140.3168.334.90000110.7S98 S102S98-T100 PolarHBondContact O-N 2.89Å; T100-S102 PolarHBondContact O-N 3.16Å
101D60.3Low62.4Low171 Ų17199.4 Ų99.491%0.91455%0.546SS*.SBendtrans-70.222.5-173.7-163.439.4000114.3
102S56.3Low62.2Low103 Ų10397 Ų9772%0.7253%0.531SS*.SBendtrans-156.481.2-174.5-65.60000111.2T100 M104T100-S102 PolarHBondContact O-N 3.16Å; S102-M104 PolarHBondContact O-N 3.5Å
103Q65.9Low62.4Low197 Ų19794.1 Ų94.192%0.92152%0.52SS*.SBendtrans20.389.3165.2-64.3-175.7-79.400118.3
104M52.3Low63.3Low131 Ų13193.4 Ų93.465%0.64550%0.503SS*.  trans-169.8123.7133.4-106178.46500108.6S102 D106S102-M104 PolarHBondContact O-N 3.5Å; M104-D106 VanDerWaalsContact C-N 3.27Å; M104-D106 PolarHBondContact O-N 3.08Å
105D52.8Low64.3Low148 Ų14888 Ų8879%0.79148%0.478SS*.  trans-78.771.8177-71.4-62.3000111V107D105-V107 PolarHBondContact O-N 3.11Å
106D56.1Low65.6Low101 Ų10189.5 Ų89.554%0.5447%0.472SS..  trans-74.4103.7167.7-79.6-38.6000109.2S98 M104 E108S98-D106 PolarHBondContact OG-O 2.74Å; S98-D106 VanDerWaalsContact OG-O 3.07Å; M104-D106 VanDerWaalsContact C-N 3.27Å; M104-D106 PolarHBondContact O-N 3.08Å; D106-E108 PolarHBondContact O-N 3.5Å
107V57.2Low66.6Low82 Ų8289.4 Ų89.450%0.49747%0.472SS..EExtended strand (participates in β ladder)trans-81.6101.6175.6-179.10000108.9A95 D105 V109A95-V107 HydrophobicContact CB-CG1 4.42Å; D105-V107 PolarHBondContact O-N 3.11Å; V107-V109 PolarHBondContact O-N 2.88Å
108E63.6Low67.9Low66 Ų6687.7 Ų87.731%0.30846%0.458SS..EExtended strand (participates in β ladder)trans-79.5113.4173.8-171.9-178.7-155.900109.2S5 K96 D106 V110S5-E108 WeakPolarHBondContact CB-OE1 3.18Å; S5-E108 PolarHBondContact OG-OE1 3.04Å; K96-E108 WeakPolarHBondContact CB-O 3.49Å; K96-E108 PolarHBondContact N-O 3.25Å; K96-E108 PolarHBondContact O-N 2.85Å; D106-E108 PolarHBondContact O-N 3.5Å; E108-V110 HydrophobicContact CG-CG2 3.97Å; E108-V110 PolarHBondContact O-N 3.36Å
109V63Low69.5Low51 Ų5186.7 Ų86.731%0.30945%0.449SS..EExtended strand (participates in β ladder)trans-85.1109.5171.2-176.40000108V107 Y111V107-V109 PolarHBondContact O-N 2.88Å; V109-Y111 HydrophobicContact CB-CE2 4.29Å; V109-Y111 HydrophobicContact CG1-CD2 4.17Å; V109-Y111 HydrophobicContact CG1-CE1 4.5Å; V109-Y111 HydrophobicContact CG1-CE2 3.6Å
110V70.1Confident71Confident24 Ų2480.5 Ų80.515%0.14542%0.419CS..EExtended strand (participates in β ladder)trans-96107.6178.7-177.60000108.9S5 E94 K96 E108S5-V110 WeakPolarHBondContact O-CA 3.08Å; E94-V110 PolarHBondContact N-O 2.91Å; E94-V110 PolarHBondContact O-N 2.85Å; K96-V110 HydrophobicContact CB-CG2 4.24Å; K96-V110 HydrophobicContact CD-CG2 4.26Å; E108-V110 HydrophobicContact CG-CG2 3.97Å; E108-V110 PolarHBondContact O-N 3.36Å
111Y71Confident72.4Confident84 Ų8476.3 Ų76.333%0.32939%0.394SS..EExtended strand (participates in β ladder)trans-77.5126.7169.1-65.4-89.4000108.8E4 S5 T6 S7 V91 V109E4-Y111 HydrophobicContact CG-CD2 3.96Å; E4-Y111 HydrophobicContact CG-CE2 3.66Å; S5-Y111 PolarHBondContact O-N 2.84Å; T6-Y111 HydrophobicContact CG2-CD2 4.44Å; S7-Y111 CarbonylContact C-O 3.49Å; S7-Y111 WeakPolarHBondContact CA-O 3.37Å; S7-Y111 PolarHBondContact N-O 3.48Å; S7-Y111 PolarHBondContact OG-O 3.25Å; V91-Y111 HydrophobicContact CG1-CD1 4.35Å; V109-Y111 HydrophobicContact CB-CE2 4.29Å; V109-Y111 HydrophobicContact CG1-CD2 4.17Å; V109-Y111 HydrophobicContact CG1-CE1 4.5Å; V109-Y111 HydrophobicContact CG1-CE2 3.6Å
112T77.9Confident73.3Confident22 Ų2274.4 Ų74.414%0.13538%0.375CS..EExtended strand (participates in β ladder)trans-118.7115.5-179.8-640000109.3S7 V9 K92S7-T112 WeakPolarHBondContact O-CA 3.28Å; V9-T112 HydrophobicContact CB-CG2 4.09Å; V9-T112 HydrophobicContact CG2-CG2 3.7Å; K92-T112 PolarHBondContact N-O 2.87Å; K92-T112 PolarHBondContact O-N 3.48Å
113I83.3Confident74.5Confident15 Ų1576.3 Ų76.38%0.07737%0.372CS..EExtended strand (participates in β ladder)trans-93.5113.6178-55.6176.1000109S7 A8 V9 V91 I115 V151 V185S7-I113 PolarHBondContact O-N 3.01Å; S7-I113 VanDerWaalsContact O-N 3.08Å; A8-I113 HydrophobicContact CB-CB 4.44Å; V9-I113 CarbonylContact C-O 3.46Å; V9-I113 PolarHBondContact N-O 2.84Å; V91-I113 HydrophobicContact CG1-CG1 4.18Å; V91-I113 HydrophobicContact CG2-CG1 4.18Å; I113-I115 HydrophobicContact CG2-CG1 4.16Å; I113-V151 HydrophobicContact CG2-CB 3.87Å; I113-V151 HydrophobicContact CG2-CG1 4.26Å; I113-V151 HydrophobicContact CG2-CG2 4Å; I113-V185 HydrophobicContact CD1-CG2 3.29Å
114D84.6Confident74.9Confident40 Ų4071.1 Ų71.121%0.21435%0.35CS..EExtended strand (participates in β ladder)trans-99.4103.7-178179.97.7000110.1G89 E90 K92 Q116G89-D114 CarbonylContact C-O 3.53Å; G89-D114 WeakPolarHBondContact CA-O 3.14Å; E90-D114 HydrophobicContact CG-CB 4.14Å; E90-D114 PolarHBondContact N-O 3.36Å; E90-D114 PolarHBondContact O-N 3.44Å; K92-D114 IonicContact NZ-OD2 3.08Å; K92-D114 PolarHBondContact NZ-OD2 2.82Å; D114-Q116 PolarHBondContact O-N 2.85Å
115I86.7Confident76.3Confident4 Ų469.5 Ų69.52%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-90.2107.4-175.5-63.3166.4000110V9 L10 V14 L87 I113 V151V9-I115 PolarHBondContact O-N 2.81Å; L10-I115 HydrophobicContact CD2-CB 4.04Å; L10-I115 HydrophobicContact CD2-CD1 3.48Å; L10-I115 VanDerWaalsContact CD2-CD1 3.48Å; L10-I115 HydrophobicContact CD2-CG1 4.33Å; L10-I115 HydrophobicContact CD2-CG2 4.17Å; L10-I115 HydrophobicContact CG-CD1 3.98Å; V14-I115 HydrophobicContact CG1-CG2 4.07Å; L87-I115 HydrophobicContact CB-CG2 4.4Å; L87-I115 HydrophobicContact CD1-CD1 4.06Å; L87-I115 HydrophobicContact CD2-CG2 4.21Å; I113-I115 HydrophobicContact CG2-CG1 4.16Å; I115-V151 HydrophobicContact CG1-CG2 4.04Å
116Q84.4Confident77.9Confident103 Ų10363.7 Ų63.748%0.48131%0.311SS..EExtended strand (participates in β ladder)trans-92.6-31.3-174.2-60.7177.71.700113.1L88 E90 D114L88-Q116 PolarHBondContact O-N 2.86Å; E90-Q116 VanDerWaalsContact CD-NE2 3.25Å; E90-Q116 PolarHBondContact OE1-NE2 2.86Å; D114-Q116 PolarHBondContact O-N 2.85Å
117K85.7Confident79.5Confident123 Ų12358.9 Ų58.954%0.53529%0.285SS..EExtended strand (participates in β ladder)trans-153.3159.4-173.9178.9173.8178.3-175.70111.2L88L88-K117 WeakPolarHBondContact CA-O 3.02Å; L88-K117 HydrophobicContact CB-CB 4.14Å; L88-K117 HydrophobicContact CD1-CD 4.2Å; L88-K117 HydrophobicContact CD1-CG 4.28Å; L88-K117 PolarHBondContact N-O 3.23Å; L88-K117 PolarHBondContact O-N 2.8Å
118Y87.5Confident81.1Confident66 Ų6655.4 Ų55.426%0.25926%0.263SS..EExtended strand (participates in β ladder)trans-125157.4168.867.9-78.9000111A17 Q21 F86 P120 Y154A17-Y118 HydrophobicContact CB-CE1 4.48Å; Q21-Y118 PolarHBondContact NE2-OH 2.62Å; Q21-Y118 VanDerWaalsContact NE2-OH 3.1Å; F86-Y118 CarbonylContact O-C 3.54Å; F86-Y118 VanDerWaalsContact O-CA 3.24Å; F86-Y118 WeakPolarHBondContact O-CA 3.22Å; Y118-P120 HydrophobicContact CE2-CG 4.36Å; Y118-Y154 HydrophobicContact CD2-CE1 4.26Å
119I88.5Confident82.3Confident30 Ų3055 Ų5515%0.15426%0.263CS..EExtended strand (participates in β ladder)trans-119.8113.6170.1-66.4-179.2000108.3G85 F86 L88 I142 L143 V146G85-I119 CarbonylContact C-O 3.59Å; G85-I119 WeakPolarHBondContact CA-O 3.1Å; F86-I119 HydrophobicContact CB-CB 4.37Å; F86-I119 PolarHBondContact N-O 3.07Å; F86-I119 PolarHBondContact O-N 3.31Å; L88-I119 HydrophobicContact CD1-CD1 3.75Å; L88-I119 HydrophobicContact CD1-CG1 3.88Å; L88-I119 HydrophobicContact CG-CD1 4.43Å; L88-I119 HydrophobicContact CG-CG1 4.46Å; I119-I142 HydrophobicContact CG2-CG2 4.03Å; I119-L143 HydrophobicContact CD1-CD2 3.97Å; I119-V146 HydrophobicContact CD1-CG2 3.66Å
120P87.3Confident83.5Confident35 Ų3556.2 Ų56.223%0.22727%0.274CS..EExtended strand (participates in β ladder)trans-75.8139.7174.926.9-31.9000113.8P82 Y118 Y122 Y154P82-P120 HydrophobicContact CB-CB 3.59Å; P82-P120 HydrophobicContact CG-CB 3.24Å; P82-P120 HydrophobicContact CG-CG 4.46Å; Y118-P120 HydrophobicContact CE2-CG 4.36Å; P120-Y122 HydrophobicContact CB-CD2 4.48Å; P120-Y122 HydrophobicContact CB-CE1 4.47Å; P120-Y122 HydrophobicContact CB-CE2 3.85Å; P120-Y122 HydrophobicContact CG-CE2 3.66Å; P120-Y122 WeakPolarHBondContact CG-OH 3.38Å; P120-Y154 WeakPolarHBondContact CA-OH 3.28Å
121C85.6Confident84.3Confident7 Ų758.5 Ų58.55%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-110103.2169.9-67.60000109.8P82 E84 Q123P82-C121 WeakPolarHBondContact CB-O 3.34Å; E84-C121 HydrophobicContact CG-CB 4.03Å; E84-C121 WeakPolarHBondContact O-CA 3.34Å; E84-C121 WeakPolarHBondContact O-CB 3.22Å; E84-C121 PolarHBondContact O-N 3.45Å; C121-Q123 PolarHBondContact O-N 2.98Å
122Y79.6Confident84.9Confident131 Ų13154.5 Ų54.551%0.51428%0.275SS..  trans-78.41-175.3-61.9-83.6000115.2A80 P82 P120A80-Y122 VanDerWaalsContact O-CD1 3.22Å; A80-Y122 WeakPolarHBondContact O-CD1 3.19Å; A80-Y122 WeakPolarHBondContact O-CE1 3.48Å; P82-Y122 HydrophobicContact CB-CD1 3.76Å; P82-Y122 HydrophobicContact CB-CE1 3.96Å; P82-Y122 HydrophobicContact CB-CG 4.16Å; P82-Y122 HydrophobicContact CG-CD1 4.04Å; P82-Y122 HydrophobicContact CG-CE1 3.72Å; P120-Y122 HydrophobicContact CB-CD2 4.48Å; P120-Y122 HydrophobicContact CB-CE1 4.47Å; P120-Y122 HydrophobicContact CB-CE2 3.85Å; P120-Y122 HydrophobicContact CG-CE2 3.66Å; P120-Y122 WeakPolarHBondContact CG-OH 3.38Å
123Q80.8Confident85.5Confident143 Ų14358.9 Ų58.967%0.66829%0.294SS*.SBendtrans-129.4122.3-177.6178.7175.73.400109.1C121 S126C121-Q123 PolarHBondContact O-N 2.98Å; Q123-S126 WeakPolarHBondContact O-CB 3.44Å; Q123-S126 PolarHBondContact O-N 3.28Å; Q123-S126 PolarHBondContact O-OG 2.84Å
124L75.9Confident85.9Confident87 Ų8759.5 Ų59.546%0.45530%0.298SS..THydrogen-bonded Turntrans-57.7140.7171-74.6167.1000110.7S126L124-S126 PolarHBondContact O-N 3.05Å
125F81.8Confident86.3Confident97 Ų9761.3 Ų61.343%0.42531%0.308SS..THydrogen-bonded Turntrans60.826.7-176.8-52-79.7000113E84 F127 Y128E84-F125 PolarHBondContact OE1-N 3.41Å; F125-F127 VanDerWaalsContact C-N 3.34Å; F125-F127 PolarHBondContact O-N 2.89Å; F125-Y128 CarbonylContact C-O 3.45Å; F125-Y128 VanDerWaalsContact CA-O 3.31Å; F125-Y128 WeakPolarHBondContact CA-O 3.4Å; F125-Y128 VanDerWaalsContact CB-O 3.32Å; F125-Y128 WeakPolarHBondContact CB-O 3.44Å; F125-Y128 AromaticContact CD1-CD2 4Å; F125-Y128 HydrophobicContact CD1-CD2 4Å; F125-Y128 AromaticContact CD1-CE2 3.52Å; F125-Y128 HydrophobicContact CD1-CE2 3.52Å; F125-Y128 AromaticContact CE1-CE2 3.78Å; F125-Y128 HydrophobicContact CE1-CE2 3.78Å; F125-Y128 HydrophobicContact CG-CE2 4.5Å
126S84.9Confident86.5Confident26 Ų2666.8 Ų66.818%0.18233%0.334CS..SBendtrans-67-32.4-179.645.70000113.6Q123 L124 A138Q123-S126 WeakPolarHBondContact O-CB 3.44Å; Q123-S126 PolarHBondContact O-N 3.28Å; Q123-S126 PolarHBondContact O-OG 2.84Å; L124-S126 PolarHBondContact O-N 3.05Å; S126-A138 VanDerWaalsContact O-CB 3.22Å; S126-A138 WeakPolarHBondContact O-CB 3.39Å
127F89.8Confident86.8Confident0 Ų069.8 Ų69.80%035%0.348CS..SBendtrans-125.83.6-177.765.3-88.3000114.2E84 F86 F125 N135 L139 I142 W153 L171 L175E84-F127 HydrophobicContact CG-CE1 4.19Å; F86-F127 HydrophobicContact CE1-CE2 4.47Å; F86-F127 AromaticContact CE2-CD1 3.97Å; F86-F127 HydrophobicContact CE2-CD1 3.97Å; F86-F127 HydrophobicContact CE2-CD2 4.41Å; F86-F127 HydrophobicContact CE2-CE1 4.11Å; F86-F127 HydrophobicContact CE2-CG 4.13Å; F86-F127 HydrophobicContact CE2-CZ 4.37Å; F86-F127 HydrophobicContact CZ-CD1 4.09Å; F86-F127 AromaticContact CZ-CD2 3.74Å; F86-F127 HydrophobicContact CZ-CD2 3.74Å; F86-F127 HydrophobicContact CZ-CE1 4.12Å; F86-F127 AromaticContact CZ-CE2 3.74Å; F86-F127 HydrophobicContact CZ-CE2 3.74Å; F86-F127 AromaticContact CZ-CG 3.92Å; F86-F127 HydrophobicContact CZ-CG 3.92Å; F86-F127 AromaticContact CZ-CZ 3.94Å; F86-F127 HydrophobicContact CZ-CZ 3.94Å; F125-F127 VanDerWaalsContact C-N 3.34Å; F125-F127 PolarHBondContact O-N 2.89Å; F127-N135 PolarHBondContact O-N 3.1Å; F127-L139 HydrophobicContact CB-CB 4.48Å; F127-L139 HydrophobicContact CB-CD1 4.17Å; F127-L139 HydrophobicContact CD2-CD1 4.4Å; F127-L139 HydrophobicContact CG-CD1 4.46Å; F127-I142 HydrophobicContact CB-CD1 4.02Å; F127-W153 HydrophobicContact CZ-CE3 4.4Å; F127-L171 HydrophobicContact CE2-CD1 4.13Å; F127-L171 HydrophobicContact CE2-CD2 4.03Å; F127-L171 HydrophobicContact CE2-CG 4.45Å; F127-L171 HydrophobicContact CZ-CD2 4.31Å; F127-L175 HydrophobicContact CD2-CD2 4.37Å; F127-L175 HydrophobicContact CE2-CD1 4.19Å; F127-L175 HydrophobicContact CE2-CD2 4.32Å
128Y91.2Very high86.9Confident10 Ų1065 Ų654%0.03933%0.331CS..BIsolated β-bridgetrans-151.5158.2179.668.3-87.1000111.8E84 F125 E133 L171E84-Y128 WeakPolarHBondContact OE1-CE1 3.47Å; E84-Y128 WeakPolarHBondContact OE2-CE1 3.33Å; E84-Y128 PolarHBondContact OE2-OH 3.08Å; F125-Y128 CarbonylContact C-O 3.45Å; F125-Y128 VanDerWaalsContact CA-O 3.31Å; F125-Y128 WeakPolarHBondContact CA-O 3.4Å; F125-Y128 VanDerWaalsContact CB-O 3.32Å; F125-Y128 WeakPolarHBondContact CB-O 3.44Å; F125-Y128 AromaticContact CD1-CD2 4Å; F125-Y128 HydrophobicContact CD1-CD2 4Å; F125-Y128 AromaticContact CD1-CE2 3.52Å; F125-Y128 HydrophobicContact CD1-CE2 3.52Å; F125-Y128 AromaticContact CE1-CE2 3.78Å; F125-Y128 HydrophobicContact CE1-CE2 3.78Å; F125-Y128 HydrophobicContact CG-CE2 4.5Å; Y128-E133 CarbonylContact C-O 3.46Å; Y128-E133 WeakPolarHBondContact CA-O 3.15Å; Y128-E133 WeakPolarHBondContact CB-O 3.42Å; Y128-L171 HydrophobicContact CD1-CD1 4.23Å; Y128-L171 HydrophobicContact CD1-CD2 3.55Å; Y128-L171 HydrophobicContact CD2-CD1 4.49Å; Y128-L171 HydrophobicContact CD2-CD2 3.98Å; Y128-L171 HydrophobicContact CE1-CD2 3.73Å; Y128-L171 HydrophobicContact CE2-CD2 4.2Å; Y128-L171 HydrophobicContact CG-CD1 3.85Å; Y128-L171 HydrophobicContact CG-CD2 3.68Å; Y128-L171 HydrophobicContact CG-CG 4.41Å
129N89.6Confident87Confident56 Ų5661.9 Ų61.930%0.29932%0.319SS..  trans-95.3178.3-177.772.79.1000113.8S131 G132 E133N129-S131 PolarHBondContact O-N 3.36Å; N129-S131 WeakPolarHBondContact OD1-CA 3.28Å; N129-S131 VanDerWaalsContact OD1-CB 3.31Å; N129-S131 WeakPolarHBondContact OD1-CB 3.42Å; N129-S131 PolarHBondContact OD1-N 3.42Å; N129-G132 PolarHBondContact O-N 2.84Å; N129-G132 PolarHBondContact OD1-N 2.94Å; N129-E133 PolarHBondContact N-O 3.2Å; N129-E133 PolarHBondContact ND2-OE2 3.47Å; N129-E133 PolarHBondContact OD1-N 3.35Å
130S86.8Confident87.1Confident78 Ų7868 Ų6855%0.54534%0.344SS..THydrogen-bonded Turntrans-59.9-25.4177.649.80000114R167S130-R167 VanDerWaalsContact O-CZ 3.24Å; S130-R167 PolarHBondContact O-NE 2.95Å; S130-R167 PolarHBondContact O-NH2 3.39Å
131S86.6Confident87.2Confident71 Ų7174.7 Ų74.750%0.49737%0.37SS..THydrogen-bonded Turntrans-80.3-13.5175.7-50.50000113.5N129 L170N129-S131 PolarHBondContact O-N 3.36Å; N129-S131 WeakPolarHBondContact OD1-CA 3.28Å; N129-S131 VanDerWaalsContact OD1-CB 3.31Å; N129-S131 WeakPolarHBondContact OD1-CB 3.42Å; N129-S131 PolarHBondContact OD1-N 3.42Å; S131-L170 VanDerWaalsContact O-CD2 3.3Å; S131-L170 WeakPolarHBondContact O-CD2 3.41Å
132G85.4Confident87.3Confident0 Ų076.8 Ų76.80%038%0.38CS..SBendtrans90.67.4-176.200000114.7N129 N174N129-G132 PolarHBondContact O-N 2.84Å; N129-G132 PolarHBondContact OD1-N 2.94Å; G132-N174 PolarHBondContact O-ND2 3.47Å
133E90Very high87.6Confident114 Ų11470.8 Ų70.853%0.53336%0.356SS..  trans-77.9141.1175.7-55.4168.6150.100110.2Y128 N129Y128-E133 CarbonylContact C-O 3.46Å; Y128-E133 WeakPolarHBondContact CA-O 3.15Å; Y128-E133 WeakPolarHBondContact CB-O 3.42Å; N129-E133 PolarHBondContact N-O 3.2Å; N129-E133 PolarHBondContact ND2-OE2 3.47Å; N129-E133 PolarHBondContact OD1-N 3.35Å
134V92.1Very high87.6Confident28 Ų2867.7 Ų67.717%0.1735%0.351CS..BIsolated β-bridgetrans-81.4128.8-176.7172.40000110.8E136 L139 L171 N174 L175V134-E136 PolarHBondContact O-N 3.15Å; V134-L139 HydrophobicContact CG1-CB 4.37Å; V134-L139 HydrophobicContact CG1-CD2 3.51Å; V134-L171 HydrophobicContact CG2-CD1 3.69Å; V134-N174 HydrophobicContact CG2-CB 3.7Å; V134-L175 HydrophobicContact CG1-CD2 4.26Å; V134-L175 HydrophobicContact CG2-CD2 3.7Å; V134-L175 HydrophobicContact CG2-CG 3.99Å
135N92.1Very high87.6Confident79 Ų7970.8 Ų70.842%0.42237%0.368SS..  trans-84.995.1171-177.4-22.8000109.6F127 Q137 A138 L139F127-N135 PolarHBondContact O-N 3.1Å; N135-Q137 PolarHBondContact O-N 3.1Å; N135-Q137 PolarHBondContact OD1-N 2.76Å; N135-Q137 VanDerWaalsContact OD1-N 3.15Å; N135-A138 HydrophobicContact CB-CB 4.13Å; N135-A138 PolarHBondContact O-N 3.18Å; N135-A138 PolarHBondContact OD1-N 2.83Å; N135-A138 VanDerWaalsContact OD1-N 3.16Å; N135-L139 WeakPolarHBondContact O-CB 3.49Å; N135-L139 PolarHBondContact O-N 3.11Å
136E90.3Very high87.5Confident119 Ų11967.8 Ų67.856%0.55636%0.357SS*.Hα-helixtrans-55.3-34.9-178-54.6-159.4134.700114V134 K140 H178V134-E136 PolarHBondContact O-N 3.15Å; E136-K140 WeakPolarHBondContact O-CB 3.29Å; E136-K140 PolarHBondContact O-N 3.42Å; E136-H178 IonicContact OE1-CE1 2.68Å; E136-H178 PolarHBondContact OE1-CE1 2.94Å; E136-H178 IonicContact OE1-ND1 3.5Å; E136-H178 PolarHBondContact OE1-ND1 3.07Å; E136-H178 VanDerWaalsContact OE1-ND1 3.08Å
137Q90.5Very high86.9Confident166 Ų16671.1 Ų71.178%0.77637%0.369SS*.Hα-helixtrans-70.4-43.6-178-58.4-175.77.700110.9N135 K141N135-Q137 PolarHBondContact O-N 3.1Å; N135-Q137 PolarHBondContact OD1-N 2.76Å; N135-Q137 VanDerWaalsContact OD1-N 3.15Å; Q137-K141 WeakPolarHBondContact O-CB 3.23Å; Q137-K141 PolarHBondContact O-N 2.96Å; Q137-K141 VanDerWaalsContact O-N 3.08Å
138A89.3Confident86.3Confident21 Ų2180.7 Ų80.717%0.17441%0.41CS..Hα-helixtrans-68.3-43.5175.300000111.3S126 N135 K140 K141 I142S126-A138 VanDerWaalsContact O-CB 3.22Å; S126-A138 WeakPolarHBondContact O-CB 3.39Å; N135-A138 HydrophobicContact CB-CB 4.13Å; N135-A138 PolarHBondContact O-N 3.18Å; N135-A138 PolarHBondContact OD1-N 2.83Å; N135-A138 VanDerWaalsContact OD1-N 3.16Å; A138-K140 PolarHBondContact O-N 3.24Å; A138-K141 WeakPolarHBondContact O-CB 3.07Å; A138-K141 PolarHBondContact O-N 3.1Å; A138-K141 VanDerWaalsContact O-N 3.11Å; A138-I142 WeakPolarHBondContact O-CG1 3.24Å; A138-I142 PolarHBondContact O-N 3.27Å
139L89.8Confident86.1Confident1 Ų184.1 Ų84.11%0.00543%0.429CS..Hα-helixtrans-61.7-44.4177.2-171.762.1000111.7F86 F127 V134 N135 K141 I142 L143 L175 H178 F179F86-L139 HydrophobicContact CE1-CD1 3.98Å; F86-L139 HydrophobicContact CE2-CD1 3.82Å; F86-L139 HydrophobicContact CZ-CD1 3.31Å; F127-L139 HydrophobicContact CB-CB 4.48Å; F127-L139 HydrophobicContact CB-CD1 4.17Å; F127-L139 HydrophobicContact CD2-CD1 4.4Å; F127-L139 HydrophobicContact CG-CD1 4.46Å; V134-L139 HydrophobicContact CG1-CB 4.37Å; V134-L139 HydrophobicContact CG1-CD2 3.51Å; N135-L139 WeakPolarHBondContact O-CB 3.49Å; N135-L139 PolarHBondContact O-N 3.11Å; L139-K141 VanDerWaalsContact C-N 3.28Å; L139-K141 PolarHBondContact O-N 2.91Å; L139-I142 PolarHBondContact O-N 3.5Å; L139-L143 HydrophobicContact CD1-CD1 3.4Å; L139-L143 HydrophobicContact CD1-CG 4.1Å; L139-L143 HydrophobicContact CG-CD1 3.92Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 PolarHBondContact O-N 3.49Å; L139-L175 HydrophobicContact CD2-CD2 3.96Å; L139-H178 VanDerWaalsContact CD2-CD2 3.43Å; L139-H178 WeakPolarHBondContact CD2-CD2 3.15Å; L139-F179 HydrophobicContact CD1-CZ 4.26Å; L139-F179 HydrophobicContact CD2-CE1 4.49Å; L139-F179 HydrophobicContact CD2-CE2 4.48Å; L139-F179 HydrophobicContact CD2-CZ 3.9Å; L139-F179 HydrophobicContact CG-CZ 4.35Å
140K89.3Confident86.1Confident159 Ų15981.5 Ų81.569%0.69142%0.415SS*.Hα-helixtrans-62.8-32173.9-175.3176.5-177.2177.40112.4E136 A138 S144E136-K140 WeakPolarHBondContact O-CB 3.29Å; E136-K140 PolarHBondContact O-N 3.42Å; A138-K140 PolarHBondContact O-N 3.24Å; K140-S144 WeakPolarHBondContact O-CA 3.48Å; K140-S144 WeakPolarHBondContact O-CB 3.49Å; K140-S144 PolarHBondContact O-N 3.08Å
141K89.6Confident86.3Confident176 Ų17678.4 Ų78.477%0.76539%0.393SS*.Hα-helixtrans-67.7-48173.8-172.8178.8179.1-178.50111.1Q137 A138 L139 S144Q137-K141 WeakPolarHBondContact O-CB 3.23Å; Q137-K141 PolarHBondContact O-N 2.96Å; Q137-K141 VanDerWaalsContact O-N 3.08Å; A138-K141 WeakPolarHBondContact O-CB 3.07Å; A138-K141 PolarHBondContact O-N 3.1Å; A138-K141 VanDerWaalsContact O-N 3.11Å; L139-K141 VanDerWaalsContact C-N 3.28Å; L139-K141 PolarHBondContact O-N 2.91Å; K141-S144 PolarHBondContact O-OG 3.5Å
142I87.3Confident86.6Confident51 Ų5175 Ų7526%0.26237%0.369SS..Hα-helixtrans-65.2-43.7180-64.2161.2000111.4F86 I119 F127 A138 L139F86-I142 HydrophobicContact CD2-CG2 4.31Å; F86-I142 HydrophobicContact CE2-CG2 4.39Å; I119-I142 HydrophobicContact CG2-CG2 4.03Å; F127-I142 HydrophobicContact CB-CD1 4.02Å; A138-I142 WeakPolarHBondContact O-CG1 3.24Å; A138-I142 PolarHBondContact O-N 3.27Å; L139-I142 PolarHBondContact O-N 3.5Å
143L86Confident86.9Confident4 Ų475 Ų752%0.02137%0.369CS..THydrogen-bonded Turntrans-104.112.1-171.9-58.4176.7000114.3F86 I119 L139 N145 V146 K147 V150 F179F86-L143 HydrophobicContact CB-CD2 4.21Å; F86-L143 HydrophobicContact CD1-CD1 4.24Å; F86-L143 HydrophobicContact CD2-CD1 4.45Å; F86-L143 HydrophobicContact CD2-CD2 4.01Å; F86-L143 HydrophobicContact CD2-CG 4.5Å; F86-L143 HydrophobicContact CE1-CD1 4.24Å; F86-L143 HydrophobicContact CE2-CD1 4.44Å; F86-L143 HydrophobicContact CG-CD1 4.36Å; F86-L143 HydrophobicContact CG-CD2 4.02Å; F86-L143 HydrophobicContact CZ-CD1 4.35Å; I119-L143 HydrophobicContact CD1-CD2 3.97Å; L139-L143 HydrophobicContact CD1-CD1 3.4Å; L139-L143 HydrophobicContact CD1-CG 4.1Å; L139-L143 HydrophobicContact CG-CD1 3.92Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 PolarHBondContact O-N 3.49Å; L143-N145 PolarHBondContact O-N 3.47Å; L143-V146 HydrophobicContact CB-CG2 4.04Å; L143-V146 HydrophobicContact CD2-CG2 3.67Å; L143-V146 HydrophobicContact CG-CG2 4.48Å; L143-V146 PolarHBondContact O-N 2.98Å; L143-K147 PolarHBondContact O-N 3.09Å; L143-K147 VanDerWaalsContact O-N 3.1Å; L143-V150 HydrophobicContact CD1-CG2 4.07Å; L143-V150 HydrophobicContact CD2-CG2 4.23Å; L143-F179 HydrophobicContact CD1-CE1 3.65Å; L143-F179 HydrophobicContact CD1-CZ 3.39Å
144S82.4Confident86.9Confident78 Ų7869.6 Ų69.655%0.54534%0.344SS..THydrogen-bonded Turntrans-43.8-41.2-177.241.20000114.2K140 K141K140-S144 WeakPolarHBondContact O-CA 3.48Å; K140-S144 WeakPolarHBondContact O-CB 3.49Å; K140-S144 PolarHBondContact O-N 3.08Å; K141-S144 PolarHBondContact O-OG 3.5Å
145N75.1Confident86.8Confident153 Ų15369.8 Ų69.882%0.81834%0.342SS*.THydrogen-bonded Turntrans-101.61.7-176.3-65.8-17000114.6L143L143-N145 PolarHBondContact O-N 3.47Å
146V79.3Confident86.5Confident33 Ų3366.7 Ų66.720%0.233%0.325CS..THydrogen-bonded Turntrans-140.52.3-166.2-63.20000115.8L88 I119 L143 K148 N149L88-V146 HydrophobicContact CD1-CB 3.96Å; L88-V146 HydrophobicContact CD1-CG1 3.88Å; L88-V146 HydrophobicContact CD1-CG2 4.22Å; L88-V146 HydrophobicContact CD2-CB 4Å; L88-V146 HydrophobicContact CD2-CG2 4.06Å; I119-V146 HydrophobicContact CD1-CG2 3.66Å; L143-V146 HydrophobicContact CB-CG2 4.04Å; L143-V146 HydrophobicContact CD2-CG2 3.67Å; L143-V146 HydrophobicContact CG-CG2 4.48Å; L143-V146 PolarHBondContact O-N 2.98Å; V146-K148 PolarHBondContact O-N 3.38Å; V146-N149 PolarHBondContact O-N 3.34Å
147K73.1Confident86.1Confident97 Ų9764 Ų6442%0.42231%0.31SS..G310 helixtrans-50-30.7-171.7-175.6166.4-178.5169.50114.9L143 N149 H178 F179L143-K147 PolarHBondContact O-N 3.09Å; L143-K147 VanDerWaalsContact O-N 3.1Å; K147-N149 VanDerWaalsContact C-N 3.34Å; K147-N149 PolarHBondContact O-N 3.15Å; K147-H178 PolarHBondContact NZ-CD2 2.74Å; K147-H178 PolarHBondContact NZ-NE2 2.98Å; K147-H178 PolarHBondContact NZ-O 2.77Å; K147-F179 HydrophobicContact CD-CD1 4.42Å; K147-F179 HydrophobicContact CD-CE1 4.49Å; K147-F179 HydrophobicContact CG-CD1 4.04Å; K147-F179 HydrophobicContact CG-CE1 4.11Å
148K77.7Confident85.6Confident201 Ų20160.7 Ų60.787%0.87429%0.29SS*.G310 helixtrans-72.3-19.5179.6-66.9-170.6175.9-171.70115.2V146V146-K148 PolarHBondContact O-N 3.38Å
149N85.8Confident84.6Confident81 Ų8168.5 Ų68.543%0.43332%0.323SS..G310 helixtrans-107.59.7-171.6-59.836.4000111.8L88 G89 V146 K147 V151L88-N149 CarbonylContact C-O 3.57Å; L88-N149 WeakPolarHBondContact CA-O 3.49Å; L88-N149 HydrophobicContact CD2-CB 4.34Å; G89-N149 PolarHBondContact N-O 2.98Å; V146-N149 PolarHBondContact O-N 3.34Å; K147-N149 VanDerWaalsContact C-N 3.34Å; K147-N149 PolarHBondContact O-N 3.15Å; N149-V151 PolarHBondContact O-N 3.42Å
150V90.3Very high84.1Confident2 Ų270.9 Ų70.91%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-79103.2-177.7-176.40000109.4F86 L88 L143 F179 N181 L184F86-V150 HydrophobicContact CD1-CG1 4.14Å; L88-V150 HydrophobicContact CD2-CB 4.38Å; L88-V150 HydrophobicContact CD2-CG2 3.7Å; L143-V150 HydrophobicContact CD1-CG2 4.07Å; L143-V150 HydrophobicContact CD2-CG2 4.23Å; V150-F179 HydrophobicContact CB-CE1 4.37Å; V150-F179 HydrophobicContact CG1-CD2 4.43Å; V150-F179 HydrophobicContact CG1-CE1 4.38Å; V150-F179 HydrophobicContact CG1-CE2 4.06Å; V150-F179 HydrophobicContact CG1-CZ 4.06Å; V150-F179 HydrophobicContact CG2-CE1 4.21Å; V150-F179 HydrophobicContact CG2-CZ 4.48Å; V150-N181 PolarHBondContact O-ND2 3.01Å; V150-L184 HydrophobicContact CG1-CD1 4.24Å
151V90.8Very high83.6Confident12 Ų1269.2 Ų69.27%0.07334%0.338CS..EExtended strand (participates in β ladder)trans-92.5-17.1176.8-65.30000112.5L87 G89 V91 I113 I115 N149 V185L87-V151 HydrophobicContact CB-CG2 4.14Å; L87-V151 PolarHBondContact O-N 3.16Å; L87-V151 VanDerWaalsContact O-N 3.09Å; G89-V151 VanDerWaalsContact C-CG1 3.45Å; V91-V151 HydrophobicContact CG2-CG1 4.09Å; I113-V151 HydrophobicContact CG2-CB 3.87Å; I113-V151 HydrophobicContact CG2-CG1 4.26Å; I113-V151 HydrophobicContact CG2-CG2 4Å; I115-V151 HydrophobicContact CG1-CG2 4.04Å; N149-V151 PolarHBondContact O-N 3.42Å; V151-V185 PolarHBondContact O-N 3.12Å
152G91.9Very high83.4Confident0 Ų068.8 Ų68.80%034%0.339CS..EExtended strand (participates in β ladder)trans-176.3-172.5-179.100000114.2L87 V185L87-G152 PolarHBondContact N-O 2.89Å; L87-G152 PolarHBondContact O-N 3.2Å; G152-V185 CarbonylContact C-O 3.49Å; G152-V185 WeakPolarHBondContact CA-O 3.47Å
153W92.4Very high83.4Confident1 Ų172 Ų720%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-138.4155.4170.270.6-65.2000109.4G85 F86 F127 K155 E168 L171 H172 L175 V185 F186 L187G85-W153 CarbonylContact O-C 3.55Å; G85-W153 VanDerWaalsContact O-CA 3.28Å; G85-W153 WeakPolarHBondContact O-CA 3.45Å; G85-W153 WeakPolarHBondContact O-CB 3.43Å; F86-W153 HydrophobicContact CD1-CB 4.01Å; F86-W153 HydrophobicContact CE1-CB 4.21Å; F127-W153 HydrophobicContact CZ-CE3 4.4Å; W153-K155 HydrophobicContact CZ3-CB 4.3Å; W153-K155 HydrophobicContact CZ3-CD 4.44Å; W153-E168 HydrophobicContact CH2-CB 4.2Å; W153-E168 HydrophobicContact CH2-CG 3.97Å; W153-E168 HydrophobicContact CZ2-CB 4.47Å; W153-L171 HydrophobicContact CH2-CD2 3.7Å; W153-L171 HydrophobicContact CH2-CG 4.27Å; W153-L171 HydrophobicContact CZ2-CD2 4.3Å; W153-L171 HydrophobicContact CZ2-CG 4.39Å; W153-L171 HydrophobicContact CZ3-CD2 3.93Å; W153-H172 HydrophobicContact CZ2-CB 4.31Å; W153-H172 AromaticContact NE1-ND1 3.5Å; W153-H172 PolarHBondContact NE1-ND1 3.42Å; W153-L175 HydrophobicContact CD2-CD1 4.11Å; W153-L175 HydrophobicContact CG-CD1 4.01Å; W153-V185 PolarHBondContact N-O 2.83Å; W153-F186 AromaticContact CD2-CD2 3.53Å; W153-F186 HydrophobicContact CD2-CD2 3.53Å; W153-F186 AromaticContact CD2-CE2 3.88Å; W153-F186 HydrophobicContact CD2-CE2 3.88Å; W153-F186 AromaticContact CE2-CD2 3.19Å; W153-F186 AromaticContact CE2-CE2 3.71Å; W153-F186 AromaticContact CE2-CG 3.88Å; W153-F186 AromaticContact CE3-CD2 3.96Å; W153-F186 HydrophobicContact CE3-CD2 3.96Å; W153-F186 AromaticContact CE3-CE2 3.79Å; W153-F186 HydrophobicContact CE3-CE2 3.79Å; W153-F186 HydrophobicContact CG-CD2 4.08Å; W153-F186 AromaticContact CH2-CD2 3.87Å; W153-F186 HydrophobicContact CH2-CD2 3.87Å; W153-F186 AromaticContact CH2-CE2 3.47Å; W153-F186 HydrophobicContact CH2-CE2 3.47Å; W153-F186 VanDerWaalsContact CH2-CE2 3.47Å; W153-F186 HydrophobicContact CH2-CZ 4.01Å; W153-F186 AromaticContact CZ2-CD2 3.4Å; W153-F186 HydrophobicContact CZ2-CD2 3.4Å; W153-F186 AromaticContact CZ2-CE2 3.52Å; W153-F186 HydrophobicContact CZ2-CE2 3.52Å; W153-F186 AromaticContact CZ2-CG 3.96Å; W153-F186 HydrophobicContact CZ2-CG 3.96Å; W153-F186 HydrophobicContact CZ2-CZ 4.18Å; W153-F186 HydrophobicContact CZ3-CD2 4.12Å; W153-F186 AromaticContact CZ3-CE2 3.6Å; W153-F186 HydrophobicContact CZ3-CE2 3.6Å; W153-F186 HydrophobicContact CZ3-CZ 4.41Å; W153-F186 AromaticContact NE1-CD2 3.5Å; W153-F186 AromaticContact NE1-CG 3.86Å; W153-F186 WeakPolarHBondContact O-CA 3.38Å; W153-L187 PolarHBondContact O-N 3.19Å
154Y90.9Very high83.5Confident0 Ų075.5 Ų75.50%037%0.373CS..EExtended strand (participates in β ladder)trans-125.8155.4179.873.2-92.4000110.8L18 E84 G85 L87 Y118 P120 F156 L187 L189L18-Y154 HydrophobicContact CD2-CD2 4.42Å; L18-Y154 HydrophobicContact CD2-CE1 4.46Å; L18-Y154 HydrophobicContact CD2-CE2 4.25Å; E84-Y154 WeakPolarHBondContact CA-O 3.5Å; G85-Y154 VanDerWaalsContact C-CE1 3.48Å; G85-Y154 VanDerWaalsContact CA-CE1 3.45Å; G85-Y154 PolarHBondContact N-O 2.82Å; G85-Y154 WeakPolarHBondContact O-CD1 3.42Å; G85-Y154 PolarHBondContact O-N 2.88Å; L87-Y154 HydrophobicContact CD2-CD1 3.67Å; L87-Y154 HydrophobicContact CD2-CE1 4.47Å; L87-Y154 HydrophobicContact CD2-CG 4.36Å; L87-Y154 HydrophobicContact CG-CD1 4.07Å; Y118-Y154 HydrophobicContact CD2-CE1 4.26Å; P120-Y154 WeakPolarHBondContact CA-OH 3.28Å; Y154-F156 HydrophobicContact CD2-CD2 4.18Å; Y154-F156 AromaticContact CD2-CE2 3.93Å; Y154-F156 HydrophobicContact CD2-CE2 3.93Å; Y154-F156 HydrophobicContact CD2-CZ 4.46Å; Y154-F156 AromaticContact CE2-CD2 3.91Å; Y154-F156 HydrophobicContact CE2-CD2 3.91Å; Y154-F156 AromaticContact CE2-CE2 3.51Å; Y154-F156 HydrophobicContact CE2-CE2 3.51Å; Y154-F156 HydrophobicContact CE2-CZ 4.32Å; Y154-L187 CarbonylContact C-O 3.51Å; Y154-L187 WeakPolarHBondContact CA-O 3.31Å; Y154-L187 WeakPolarHBondContact CB-O 3.3Å; Y154-L189 HydrophobicContact CD2-CD1 4.29Å
155K88.9Confident83.8Confident31 Ų3174.3 Ų74.314%0.13536%0.362CS..EExtended strand (participates in β ladder)trans-147.1134.8171-172.6173.9175.6-173.90111E83 E84 W153 E168 F186 L187 L189E83-K155 CarbonylContact O-C 3.5Å; E83-K155 VanDerWaalsContact O-CA 3.31Å; E83-K155 WeakPolarHBondContact O-CA 3.28Å; E83-K155 WeakPolarHBondContact O-CG 3.38Å; E84-K155 HydrophobicContact CB-CG 4.39Å; W153-K155 HydrophobicContact CZ3-CB 4.3Å; W153-K155 HydrophobicContact CZ3-CD 4.44Å; K155-E168 HydrophobicContact CD-CG 4.43Å; K155-E168 WeakPolarHBondContact CD-OE1 3.02Å; K155-E168 WeakPolarHBondContact CE-OE1 3.32Å; K155-E168 IonicContact NZ-OE1 2.77Å; K155-E168 PolarHBondContact NZ-OE1 3.27Å; K155-F186 HydrophobicContact CB-CE2 3.7Å; K155-F186 HydrophobicContact CB-CZ 3.92Å; K155-L187 PolarHBondContact N-O 3.46Å; K155-L189 PolarHBondContact O-N 3.24Å
156F86.1Confident84.6Confident15 Ų1575 Ų757%0.06636%0.358CS..  trans-86.3136.7171.9-67.3-69.7000110.6L18 Q21 H22 P82 E83 Y154 L189L18-F156 HydrophobicContact CB-CZ 4.2Å; L18-F156 HydrophobicContact CD2-CE2 4.41Å; L18-F156 HydrophobicContact CD2-CZ 3.92Å; L18-F156 WeakPolarHBondContact O-CZ 3.44Å; Q21-F156 HydrophobicContact CB-CZ 4.47Å; H22-F156 HydrophobicContact CB-CD1 4.16Å; H22-F156 HydrophobicContact CB-CE1 3.87Å; H22-F156 AromaticContact CD2-CD1 3.49Å; H22-F156 VanDerWaalsContact CD2-CD1 3.49Å; H22-F156 WeakPolarHBondContact CD2-CD1 3.31Å; P82-F156 WeakPolarHBondContact O-CD2 3.48Å; E83-F156 PolarHBondContact O-N 3.11Å; Y154-F156 HydrophobicContact CD2-CD2 4.18Å; Y154-F156 AromaticContact CD2-CE2 3.93Å; Y154-F156 HydrophobicContact CD2-CE2 3.93Å; Y154-F156 HydrophobicContact CD2-CZ 4.46Å; Y154-F156 AromaticContact CE2-CD2 3.91Å; Y154-F156 HydrophobicContact CE2-CD2 3.91Å; Y154-F156 AromaticContact CE2-CE2 3.51Å; Y154-F156 HydrophobicContact CE2-CE2 3.51Å; Y154-F156 HydrophobicContact CE2-CZ 4.32Å; F156-L189 CarbonylContact C-O 3.54Å; F156-L189 VanDerWaalsContact CA-O 3.28Å; F156-L189 WeakPolarHBondContact CA-O 3.46Å; F156-L189 HydrophobicContact CD1-CB 3.39Å; F156-L189 HydrophobicContact CD1-CD1 4.11Å; F156-L189 HydrophobicContact CD1-CG 4.28Å; F156-L189 HydrophobicContact CE1-CB 3.58Å; F156-L189 HydrophobicContact CE1-CD1 3.75Å; F156-L189 HydrophobicContact CE1-CD2 4.11Å; F156-L189 HydrophobicContact CE1-CG 4.03Å; F156-L189 HydrophobicContact CG-CB 4.42Å; F156-L189 HydrophobicContact CZ-CD1 4.19Å
157R82.5Confident85.1Confident62 Ų6278.7 Ų78.723%0.23437%0.369CS..  trans-133106.9173.3-79.2-170.6167-116.2-9.4111H159 S160 T165 E168 L188 L189R157-H159 PolarHBondContact O-N 2.94Å; R157-S160 PolarHBondContact NH1-OG 3.27Å; R157-T165 PolarHBondContact NH2-OG1 3.05Å; R157-T165 VanDerWaalsContact NH2-OG1 3.12Å; R157-E168 IonicContact CZ-OE1 3.35Å; R157-E168 IonicContact CZ-OE2 3.52Å; R157-E168 IonicContact NE-OE1 3.07Å; R157-E168 PolarHBondContact NE-OE1 3.31Å; R157-E168 IonicContact NE-OE2 3.47Å; R157-E168 PolarHBondContact NE-OE2 3.36Å; R157-E168 IonicContact NH2-OE1 2.74Å; R157-E168 PolarHBondContact NH2-OE1 2.84Å; R157-E168 IonicContact NH2-OE2 3Å; R157-E168 PolarHBondContact NH2-OE2 3.5Å; R157-L188 HydrophobicContact CB-CD1 4.24Å; R157-L188 HydrophobicContact CG-CD1 3.74Å; R157-L189 PolarHBondContact N-O 2.97Å
158R78.4Confident86Confident97 Ų9774.3 Ų74.337%0.36635%0.349SS..THydrogen-bonded Turntrans-67.4129.6170.1-45.5-169.7-146.4-157.22.3110.2T25 S160T25-R158 PolarHBondContact O-NH1 2.83Å; R158-S160 VanDerWaalsContact C-N 3.29Å; R158-S160 PolarHBondContact O-N 2.68Å
159H69.4Low86.7Confident184 Ų18472.3 Ų72.385%0.85234%0.336SS*.THydrogen-bonded Turntrans52.238.1169.1-42.4-60.8000115.4R157R157-H159 PolarHBondContact O-N 2.94Å
160S78.1Confident87Confident52 Ų5271.1 Ų71.136%0.36433%0.33SS..  trans-115.4156.4176.2179.90000110.4R157 R158R157-S160 PolarHBondContact NH1-OG 3.27Å; R158-S160 VanDerWaalsContact C-N 3.29Å; R158-S160 PolarHBondContact O-N 2.68Å
161D79.9Confident87.1Confident124 Ų12471.1 Ų71.166%0.66333%0.33SS*.  trans-56.8143.9164.2-55.5-53.2000110.6I163D161-I163 HydrophobicContact CB-CB 4.44Å; D161-I163 HydrophobicContact CB-CD1 4.16Å; D161-I163 HydrophobicContact CB-CG1 4.2Å; D161-I163 PolarHBondContact O-N 3.25Å
162Q84.6Confident87.3Confident166 Ų16671.8 Ų71.878%0.77633%0.332SS*.SBendtrans-77.949.8178-160.2-179.47.500111.5L188Q162-L188 HydrophobicContact CG-CD2 4.23Å
163I87.4Confident87.3Confident119 Ų11977.9 Ų77.961%0.6136%0.358SS*.SBendtrans-126.4132.4-174.3-60.8174.4000108.8D161 T165D161-I163 HydrophobicContact CB-CB 4.44Å; D161-I163 HydrophobicContact CB-CD1 4.16Å; D161-I163 HydrophobicContact CB-CG1 4.2Å; D161-I163 PolarHBondContact O-N 3.25Å; I163-T165 PolarHBondContact O-N 2.8Å
164M87.9Confident87.3Confident78 Ų7879.5 Ų79.538%0.38437%0.367SS..  trans-63.2121175-54.5-166.4-164.800110.9R169 F186M164-R169 HydrophobicContact CB-CG 3.58Å; M164-R169 HydrophobicContact SD-CG 4.18Å; M164-F186 HydrophobicContact CE-CB 4.12Å; M164-F186 HydrophobicContact CE-CD1 3.86Å; M164-F186 HydrophobicContact CE-CG 4.5Å; M164-F186 HydrophobicContact CG-CD1 3.72Å; M164-F186 HydrophobicContact CG-CE1 3.92Å; M164-F186 HydrophobicContact SD-CD1 3.73Å; M164-F186 HydrophobicContact SD-CE1 4.44Å
165T90.2Very high87.4Confident52 Ų5279.5 Ų79.532%0.31937%0.367SS..  trans-72.4162.2172.5610000111.9R157 I163 R167 E168 R169R157-T165 PolarHBondContact NH2-OG1 3.05Å; R157-T165 VanDerWaalsContact NH2-OG1 3.12Å; I163-T165 PolarHBondContact O-N 2.8Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 2.9Å; T165-E168 WeakPolarHBondContact CB-OE2 3.45Å; T165-E168 PolarHBondContact N-OE2 2.95Å; T165-E168 PolarHBondContact O-N 3.16Å; T165-E168 PolarHBondContact OG1-OE2 2.85Å; T165-R169 WeakPolarHBondContact O-CG 3.41Å; T165-R169 PolarHBondContact O-N 3.37Å
166F90.5Very high87.5Confident169 Ų16980.3 Ų80.374%0.74137%0.372SS*.Hα-helixtrans-50.5-43.3179.8-179.3-98.5000113.4R169 L170F166-R169 PolarHBondContact O-N 2.91Å; F166-L170 HydrophobicContact CE1-CD2 4.4Å; F166-L170 WeakPolarHBondContact O-CB 3.18Å; F166-L170 PolarHBondContact O-N 2.97Å
167R90.2Very high87.8Confident110 Ų11086.4 Ų86.442%0.41540%0.4SS..Hα-helixtrans-64.5-40.7177.1-175.2-176.8-75.2144.5-1112.1S130 T165 L170 L171S130-R167 VanDerWaalsContact O-CZ 3.24Å; S130-R167 PolarHBondContact O-NE 2.95Å; S130-R167 PolarHBondContact O-NH2 3.39Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 2.9Å; R167-L170 PolarHBondContact O-N 3.21Å; R167-L171 VanDerWaalsContact O-CB 3.23Å; R167-L171 WeakPolarHBondContact O-CB 3.32Å; R167-L171 PolarHBondContact O-N 2.81Å
168E91.6Very high88.1Confident4 Ų485.1 Ų85.12%0.01940%0.397CS..Hα-helixtrans-67.8-39.4177.7-74.4143.5-179.200111.3W153 K155 R157 T165 H172 F186W153-E168 HydrophobicContact CH2-CB 4.2Å; W153-E168 HydrophobicContact CH2-CG 3.97Å; W153-E168 HydrophobicContact CZ2-CB 4.47Å; K155-E168 HydrophobicContact CD-CG 4.43Å; K155-E168 WeakPolarHBondContact CD-OE1 3.02Å; K155-E168 WeakPolarHBondContact CE-OE1 3.32Å; K155-E168 IonicContact NZ-OE1 2.77Å; K155-E168 PolarHBondContact NZ-OE1 3.27Å; R157-E168 IonicContact CZ-OE1 3.35Å; R157-E168 IonicContact CZ-OE2 3.52Å; R157-E168 IonicContact NE-OE1 3.07Å; R157-E168 PolarHBondContact NE-OE1 3.31Å; R157-E168 IonicContact NE-OE2 3.47Å; R157-E168 PolarHBondContact NE-OE2 3.36Å; R157-E168 IonicContact NH2-OE1 2.74Å; R157-E168 PolarHBondContact NH2-OE1 2.84Å; R157-E168 IonicContact NH2-OE2 3Å; R157-E168 PolarHBondContact NH2-OE2 3.5Å; T165-E168 WeakPolarHBondContact CB-OE2 3.45Å; T165-E168 PolarHBondContact N-OE2 2.95Å; T165-E168 PolarHBondContact O-N 3.16Å; T165-E168 PolarHBondContact OG1-OE2 2.85Å; E168-H172 WeakPolarHBondContact O-CB 3.31Å; E168-H172 PolarHBondContact O-N 3.26Å; E168-F186 HydrophobicContact CB-CE1 4.35Å; E168-F186 HydrophobicContact CB-CZ 4.43Å; E168-F186 HydrophobicContact CG-CZ 4.23Å
169R91.9Very high88.5Confident159 Ų15981.1 Ų81.160%0.638%0.382SS*.Hα-helixtrans-64.3-39.2174.6-64.6178.371.8-173.53.5112.6M164 T165 F166 K173M164-R169 HydrophobicContact CB-CG 3.58Å; M164-R169 HydrophobicContact SD-CG 4.18Å; T165-R169 WeakPolarHBondContact O-CG 3.41Å; T165-R169 PolarHBondContact O-N 3.37Å; F166-R169 PolarHBondContact O-N 2.91Å; R169-K173 PolarHBondContact O-N 3.29Å
170L93.3Very high89.3Confident57 Ų5777.4 Ų77.430%0.29838%0.377SS..Hα-helixtrans-70.3-48176.6-179.257.7000111.5S131 F166 R167 H172 K173 N174S131-L170 VanDerWaalsContact O-CD2 3.3Å; S131-L170 WeakPolarHBondContact O-CD2 3.41Å; F166-L170 HydrophobicContact CE1-CD2 4.4Å; F166-L170 WeakPolarHBondContact O-CB 3.18Å; F166-L170 PolarHBondContact O-N 2.97Å; R167-L170 PolarHBondContact O-N 3.21Å; L170-H172 VanDerWaalsContact C-N 3.27Å; L170-H172 PolarHBondContact O-N 2.9Å; L170-K173 PolarHBondContact O-N 3.03Å; L170-N174 PolarHBondContact O-N 3.26Å; L170-N174 PolarHBondContact O-ND2 2.71Å; L170-N174 PolarHBondContact O-OD1 3.26Å
171L92.9Very high89.5Confident2 Ų278 Ų781%0.0138%0.376CS..Hα-helixtrans-57.7-41.9174.9177.657.5000111.5F127 Y128 V134 W153 R167 K173 N174 L175F127-L171 HydrophobicContact CE2-CD1 4.13Å; F127-L171 HydrophobicContact CE2-CD2 4.03Å; F127-L171 HydrophobicContact CE2-CG 4.45Å; F127-L171 HydrophobicContact CZ-CD2 4.31Å; Y128-L171 HydrophobicContact CD1-CD1 4.23Å; Y128-L171 HydrophobicContact CD1-CD2 3.55Å; Y128-L171 HydrophobicContact CD2-CD1 4.49Å; Y128-L171 HydrophobicContact CD2-CD2 3.98Å; Y128-L171 HydrophobicContact CE1-CD2 3.73Å; Y128-L171 HydrophobicContact CE2-CD2 4.2Å; Y128-L171 HydrophobicContact CG-CD1 3.85Å; Y128-L171 HydrophobicContact CG-CD2 3.68Å; Y128-L171 HydrophobicContact CG-CG 4.41Å; V134-L171 HydrophobicContact CG2-CD1 3.69Å; W153-L171 HydrophobicContact CH2-CD2 3.7Å; W153-L171 HydrophobicContact CH2-CG 4.27Å; W153-L171 HydrophobicContact CZ2-CD2 4.3Å; W153-L171 HydrophobicContact CZ2-CG 4.39Å; W153-L171 HydrophobicContact CZ3-CD2 3.93Å; R167-L171 VanDerWaalsContact O-CB 3.23Å; R167-L171 WeakPolarHBondContact O-CB 3.32Å; R167-L171 PolarHBondContact O-N 2.81Å; L171-K173 PolarHBondContact O-N 3.49Å; L171-N174 PolarHBondContact O-N 3.28Å; L171-L175 HydrophobicContact CD1-CD1 4.22Å; L171-L175 HydrophobicContact CD1-CG 4.13Å; L171-L175 HydrophobicContact CG-CD1 4.07Å; L171-L175 HydrophobicContact CG-CG 4.43Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.23Å; L171-L175 PolarHBondContact O-N 3.31Å
172H93.4Very high89.5Confident25 Ų2579.8 Ų79.812%0.11638%0.38CS..Hα-helixtrans-59.8-46.4178.4-178.644000112.4W153 E168 L170 L175 Q176 L184W153-H172 HydrophobicContact CZ2-CB 4.31Å; W153-H172 AromaticContact NE1-ND1 3.5Å; W153-H172 PolarHBondContact NE1-ND1 3.42Å; E168-H172 WeakPolarHBondContact O-CB 3.31Å; E168-H172 PolarHBondContact O-N 3.26Å; L170-H172 VanDerWaalsContact C-N 3.27Å; L170-H172 PolarHBondContact O-N 2.9Å; H172-L175 PolarHBondContact O-N 3.39Å; H172-Q176 WeakPolarHBondContact O-CG 3.45Å; H172-Q176 PolarHBondContact O-N 3.4Å; H172-L184 PolarHBondContact CE1-O 2.86Å
173K92.4Very high89.4Confident128 Ų12877.4 Ų77.456%0.55737%0.373SS*.Hα-helixtrans-59.9-47.6173.4-73.1-177.7170.7-163.40112.4R169 L170 L171 L175 Q176 E177R169-K173 PolarHBondContact O-N 3.29Å; L170-K173 PolarHBondContact O-N 3.03Å; L171-K173 PolarHBondContact O-N 3.49Å; K173-L175 PolarHBondContact O-N 2.73Å; K173-Q176 WeakPolarHBondContact O-CB 3.12Å; K173-Q176 PolarHBondContact O-N 2.59Å; K173-Q176 VanDerWaalsContact O-N 3.11Å; K173-E177 PolarHBondContact O-N 3Å
174N93.1Very high89.5Confident35 Ų3572.3 Ų72.319%0.18735%0.347CS..Hα-helixtrans-61.3-32.6178.7-63.4-15.2000112G132 V134 L170 L171 H178G132-N174 PolarHBondContact O-ND2 3.47Å; V134-N174 HydrophobicContact CG2-CB 3.7Å; L170-N174 PolarHBondContact O-N 3.26Å; L170-N174 PolarHBondContact O-ND2 2.71Å; L170-N174 PolarHBondContact O-OD1 3.26Å; L171-N174 PolarHBondContact O-N 3.28Å; N174-H178 WeakPolarHBondContact O-CB 3.35Å; N174-H178 PolarHBondContact O-N 3.47Å; N174-H178 VanDerWaalsContact O-N 3.1Å
175L92.1Very high89.6Confident0 Ų070.4 Ų70.40%034%0.34CS..Hα-helixtrans-73.9-41.7172.9-68.3170.5000112.3F86 F127 V134 L139 W153 L171 H172 K173 E177 H178 F179 L184F86-L175 HydrophobicContact CE1-CD2 4.37Å; F127-L175 HydrophobicContact CD2-CD2 4.37Å; F127-L175 HydrophobicContact CE2-CD1 4.19Å; F127-L175 HydrophobicContact CE2-CD2 4.32Å; V134-L175 HydrophobicContact CG1-CD2 4.26Å; V134-L175 HydrophobicContact CG2-CD2 3.7Å; V134-L175 HydrophobicContact CG2-CG 3.99Å; L139-L175 HydrophobicContact CD2-CD2 3.96Å; W153-L175 HydrophobicContact CD2-CD1 4.11Å; W153-L175 HydrophobicContact CG-CD1 4.01Å; L171-L175 HydrophobicContact CD1-CD1 4.22Å; L171-L175 HydrophobicContact CD1-CG 4.13Å; L171-L175 HydrophobicContact CG-CD1 4.07Å; L171-L175 HydrophobicContact CG-CG 4.43Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.23Å; L171-L175 PolarHBondContact O-N 3.31Å; H172-L175 PolarHBondContact O-N 3.39Å; K173-L175 PolarHBondContact O-N 2.73Å; L175-E177 VanDerWaalsContact C-N 3.3Å; L175-E177 PolarHBondContact O-N 2.75Å; L175-H178 PolarHBondContact O-N 2.87Å; L175-F179 HydrophobicContact CB-CD2 4.27Å; L175-F179 HydrophobicContact CB-CE2 4.18Å; L175-F179 HydrophobicContact CD2-CE2 3.92Å; L175-F179 WeakPolarHBondContact O-CD2 3.28Å; L175-F179 PolarHBondContact O-N 2.88Å; L175-L184 HydrophobicContact CB-CD2 3.61Å
176Q92.1Very high89.7Confident49 Ų4969 Ų6923%0.22933%0.329CS..Hα-helixtrans-55.6-46.5174.1-73.4169.1-5400110.6H172 K173 S180 N181 Q182 L184H172-Q176 WeakPolarHBondContact O-CG 3.45Å; H172-Q176 PolarHBondContact O-N 3.4Å; K173-Q176 WeakPolarHBondContact O-CB 3.12Å; K173-Q176 PolarHBondContact O-N 2.59Å; K173-Q176 VanDerWaalsContact O-N 3.11Å; Q176-S180 VanDerWaalsContact O-CA 3.32Å; Q176-S180 WeakPolarHBondContact O-CA 3.38Å; Q176-S180 PolarHBondContact O-N 3.38Å; Q176-N181 WeakPolarHBondContact CA-O 3.45Å; Q176-N181 WeakPolarHBondContact CB-O 3.4Å; Q176-N181 WeakPolarHBondContact CG-O 3.4Å; Q176-N181 PolarHBondContact O-N 3.02Å; Q176-N181 VanDerWaalsContact O-N 3.16Å; Q176-Q182 PolarHBondContact NE2-O 3.18Å; Q176-L184 HydrophobicContact CG-CB 3.82Å; Q176-L184 HydrophobicContact CG-CD2 4.16Å
177E90.8Very high89.6Confident143 Ų14362.6 Ų62.667%0.66830%0.303SS*.Hα-helixtrans-61.1-48.9174.9-69.8174.9-165.900111.8K173 L175 F179 S180K173-E177 PolarHBondContact O-N 3Å; L175-E177 VanDerWaalsContact C-N 3.3Å; L175-E177 PolarHBondContact O-N 2.75Å; E177-F179 PolarHBondContact O-N 3.44Å; E177-S180 PolarHBondContact O-N 2.93Å; E177-S180 VanDerWaalsContact O-N 3.16Å
178H89.6Confident89.6Confident34 Ų3458.4 Ų58.416%0.15729%0.288CS..Hα-helixtrans-66.9-30.4-177.9-175.884.4000114.5E136 L139 K147 N174 L175E136-H178 IonicContact OE1-CE1 2.68Å; E136-H178 PolarHBondContact OE1-CE1 2.94Å; E136-H178 IonicContact OE1-ND1 3.5Å; E136-H178 PolarHBondContact OE1-ND1 3.07Å; E136-H178 VanDerWaalsContact OE1-ND1 3.08Å; L139-H178 VanDerWaalsContact CD2-CD2 3.43Å; L139-H178 WeakPolarHBondContact CD2-CD2 3.15Å; K147-H178 PolarHBondContact NZ-CD2 2.74Å; K147-H178 PolarHBondContact NZ-NE2 2.98Å; K147-H178 PolarHBondContact NZ-O 2.77Å; N174-H178 WeakPolarHBondContact O-CB 3.35Å; N174-H178 PolarHBondContact O-N 3.47Å; N174-H178 VanDerWaalsContact O-N 3.1Å; L175-H178 PolarHBondContact O-N 2.87Å
179F86.7Confident89.2Confident14 Ų1461.5 Ų61.56%0.06131%0.305CS..Hα-helixtrans-89.5-13.9173.5-64.8-61.5000113.4F86 L139 L143 K147 V150 L175 E177 N181 L184F86-F179 HydrophobicContact CE1-CE2 4.36Å; F86-F179 HydrophobicContact CE1-CZ 4.33Å; L139-F179 HydrophobicContact CD1-CZ 4.26Å; L139-F179 HydrophobicContact CD2-CE1 4.49Å; L139-F179 HydrophobicContact CD2-CE2 4.48Å; L139-F179 HydrophobicContact CD2-CZ 3.9Å; L139-F179 HydrophobicContact CG-CZ 4.35Å; L143-F179 HydrophobicContact CD1-CE1 3.65Å; L143-F179 HydrophobicContact CD1-CZ 3.39Å; K147-F179 HydrophobicContact CD-CD1 4.42Å; K147-F179 HydrophobicContact CD-CE1 4.49Å; K147-F179 HydrophobicContact CG-CD1 4.04Å; K147-F179 HydrophobicContact CG-CE1 4.11Å; V150-F179 HydrophobicContact CB-CE1 4.37Å; V150-F179 HydrophobicContact CG1-CD2 4.43Å; V150-F179 HydrophobicContact CG1-CE1 4.38Å; V150-F179 HydrophobicContact CG1-CE2 4.06Å; V150-F179 HydrophobicContact CG1-CZ 4.06Å; V150-F179 HydrophobicContact CG2-CE1 4.21Å; V150-F179 HydrophobicContact CG2-CZ 4.48Å; L175-F179 HydrophobicContact CB-CD2 4.27Å; L175-F179 HydrophobicContact CB-CE2 4.18Å; L175-F179 HydrophobicContact CD2-CE2 3.92Å; L175-F179 WeakPolarHBondContact O-CD2 3.28Å; L175-F179 PolarHBondContact O-N 2.88Å; E177-F179 PolarHBondContact O-N 3.44Å; F179-N181 HydrophobicContact CB-CB 4.1Å; F179-N181 PolarHBondContact O-N 3.19Å; F179-N181 PolarHBondContact O-OD1 3.01Å; F179-L184 HydrophobicContact CD2-CD1 4.26Å; F179-L184 HydrophobicContact CD2-CD2 4.39Å
180S86Confident89Confident106 Ų10656.7 Ų56.774%0.74129%0.29SS*.THydrogen-bonded Turntrans57.426.4-168.3-47.80000113.3Q176 E177Q176-S180 VanDerWaalsContact O-CA 3.32Å; Q176-S180 WeakPolarHBondContact O-CA 3.38Å; Q176-S180 PolarHBondContact O-N 3.38Å; E177-S180 PolarHBondContact O-N 2.93Å; E177-S180 VanDerWaalsContact O-N 3.16Å
181N81.9Confident88.8Confident63 Ų6356.6 Ų56.634%0.33729%0.289SS..  trans-111.9108.9-178.9-69.9-13000108.4V150 Q176 F179V150-N181 PolarHBondContact O-ND2 3.01Å; Q176-N181 WeakPolarHBondContact CA-O 3.45Å; Q176-N181 WeakPolarHBondContact CB-O 3.4Å; Q176-N181 WeakPolarHBondContact CG-O 3.4Å; Q176-N181 PolarHBondContact O-N 3.02Å; Q176-N181 VanDerWaalsContact O-N 3.16Å; F179-N181 HydrophobicContact CB-CB 4.1Å; F179-N181 PolarHBondContact O-N 3.19Å; F179-N181 PolarHBondContact O-OD1 3.01Å
182Q80.3Confident88.6Confident162 Ų16259.7 Ų59.776%0.75731%0.305SS*.THydrogen-bonded Turntrans-74.1-33178.2-62.5-171.78.600111.3Q176 L184Q176-Q182 PolarHBondContact NE2-O 3.18Å; Q182-L184 PolarHBondContact O-N 2.95Å; Q182-L184 VanDerWaalsContact O-N 3.1Å
183D82.8Confident88.3Confident117 Ų11761.7 Ų61.763%0.62632%0.316SS*.THydrogen-bonded Turntrans-85.223.9-177.6-40.4-59.7000113.7V185D183-V185 PolarHBondContact O-N 3.24Å
184L89.3Confident88.1Confident11 Ų1157.6 Ų57.66%0.05830%0.301CS..  trans-59.4131175.3-17275000109.2V150 H172 L175 Q176 F179 Q182V150-L184 HydrophobicContact CG1-CD1 4.24Å; H172-L184 PolarHBondContact CE1-O 2.86Å; L175-L184 HydrophobicContact CB-CD2 3.61Å; Q176-L184 HydrophobicContact CG-CB 3.82Å; Q176-L184 HydrophobicContact CG-CD2 4.16Å; F179-L184 HydrophobicContact CD2-CD1 4.26Å; F179-L184 HydrophobicContact CD2-CD2 4.39Å; Q182-L184 PolarHBondContact O-N 2.95Å; Q182-L184 VanDerWaalsContact O-N 3.1Å
185V90.3Very high87.7Confident39 Ų3959.1 Ų59.124%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-92.2141.3177.1174.90000111.4I113 V151 G152 W153 D183I113-V185 HydrophobicContact CD1-CG2 3.29Å; V151-V185 PolarHBondContact O-N 3.12Å; G152-V185 CarbonylContact C-O 3.49Å; G152-V185 WeakPolarHBondContact CA-O 3.47Å; W153-V185 PolarHBondContact N-O 2.83Å; D183-V185 PolarHBondContact O-N 3.24Å
186F91.8Very high87.4Confident22 Ų2263.3 Ų63.310%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-108.6114.9162.7178.1-127.9000110.4W153 K155 M164 E168 L188W153-F186 AromaticContact CD2-CD2 3.53Å; W153-F186 HydrophobicContact CD2-CD2 3.53Å; W153-F186 AromaticContact CD2-CE2 3.88Å; W153-F186 HydrophobicContact CD2-CE2 3.88Å; W153-F186 AromaticContact CE2-CD2 3.19Å; W153-F186 AromaticContact CE2-CE2 3.71Å; W153-F186 AromaticContact CE2-CG 3.88Å; W153-F186 AromaticContact CE3-CD2 3.96Å; W153-F186 HydrophobicContact CE3-CD2 3.96Å; W153-F186 AromaticContact CE3-CE2 3.79Å; W153-F186 HydrophobicContact CE3-CE2 3.79Å; W153-F186 HydrophobicContact CG-CD2 4.08Å; W153-F186 AromaticContact CH2-CD2 3.87Å; W153-F186 HydrophobicContact CH2-CD2 3.87Å; W153-F186 AromaticContact CH2-CE2 3.47Å; W153-F186 HydrophobicContact CH2-CE2 3.47Å; W153-F186 VanDerWaalsContact CH2-CE2 3.47Å; W153-F186 HydrophobicContact CH2-CZ 4.01Å; W153-F186 AromaticContact CZ2-CD2 3.4Å; W153-F186 HydrophobicContact CZ2-CD2 3.4Å; W153-F186 AromaticContact CZ2-CE2 3.52Å; W153-F186 HydrophobicContact CZ2-CE2 3.52Å; W153-F186 AromaticContact CZ2-CG 3.96Å; W153-F186 HydrophobicContact CZ2-CG 3.96Å; W153-F186 HydrophobicContact CZ2-CZ 4.18Å; W153-F186 HydrophobicContact CZ3-CD2 4.12Å; W153-F186 AromaticContact CZ3-CE2 3.6Å; W153-F186 HydrophobicContact CZ3-CE2 3.6Å; W153-F186 HydrophobicContact CZ3-CZ 4.41Å; W153-F186 AromaticContact NE1-CD2 3.5Å; W153-F186 AromaticContact NE1-CG 3.86Å; W153-F186 WeakPolarHBondContact O-CA 3.38Å; K155-F186 HydrophobicContact CB-CE2 3.7Å; K155-F186 HydrophobicContact CB-CZ 3.92Å; M164-F186 HydrophobicContact CE-CB 4.12Å; M164-F186 HydrophobicContact CE-CD1 3.86Å; M164-F186 HydrophobicContact CE-CG 4.5Å; M164-F186 HydrophobicContact CG-CD1 3.72Å; M164-F186 HydrophobicContact CG-CE1 3.92Å; M164-F186 HydrophobicContact SD-CD1 3.73Å; M164-F186 HydrophobicContact SD-CE1 4.44Å; E168-F186 HydrophobicContact CB-CE1 4.35Å; E168-F186 HydrophobicContact CB-CZ 4.43Å; E168-F186 HydrophobicContact CG-CZ 4.23Å; F186-L188 HydrophobicContact CE1-CB 3.92Å; F186-L188 HydrophobicContact CE1-CD1 4.16Å; F186-L188 HydrophobicContact CE1-CG 4.46Å; F186-L188 HydrophobicContact CZ-CB 4.18Å; F186-L188 HydrophobicContact CZ-CD1 3.88Å
187L89.4Confident87Confident35 Ų3564.4 Ų64.418%0.18334%0.338CS..EExtended strand (participates in β ladder)trans-97.9106.3176.7-178.463000110L10 L18 L87 W153 Y154 K155 L189L10-L187 HydrophobicContact CD1-CD2 4.25Å; L18-L187 HydrophobicContact CD1-CD2 4.18Å; L87-L187 HydrophobicContact CD1-CB 3.84Å; L87-L187 HydrophobicContact CD1-CD2 4.11Å; W153-L187 PolarHBondContact O-N 3.19Å; Y154-L187 CarbonylContact C-O 3.51Å; Y154-L187 WeakPolarHBondContact CA-O 3.31Å; Y154-L187 WeakPolarHBondContact CB-O 3.3Å; K155-L187 PolarHBondContact N-O 3.46Å; L187-L189 HydrophobicContact CD2-CD1 3.83Å; L187-L189 HydrophobicContact CD2-CG 4.37Å; L187-L189 HydrophobicContact CG-CD1 3.73Å; L187-L189 HydrophobicContact CG-CG 4.04Å
188L89.5Confident86.7Confident22 Ų2257.8 Ų57.812%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-94.6124.3174-173.867.2000110.1R157 Q162 F186R157-L188 HydrophobicContact CB-CD1 4.24Å; R157-L188 HydrophobicContact CG-CD1 3.74Å; Q162-L188 HydrophobicContact CG-CD2 4.23Å; F186-L188 HydrophobicContact CE1-CB 3.92Å; F186-L188 HydrophobicContact CE1-CD1 4.16Å; F186-L188 HydrophobicContact CE1-CG 4.46Å; F186-L188 HydrophobicContact CZ-CB 4.18Å; F186-L188 HydrophobicContact CZ-CD1 3.88Å
189L83.3Confident86.5Confident69 Ų6960 Ų6036%0.36133%0.325SS..  trans-121.60-176.4-66.2126.3000111.3Y154 K155 F156 R157 L187Y154-L189 HydrophobicContact CD2-CD1 4.29Å; K155-L189 PolarHBondContact O-N 3.24Å; F156-L189 CarbonylContact C-O 3.54Å; F156-L189 VanDerWaalsContact CA-O 3.28Å; F156-L189 WeakPolarHBondContact CA-O 3.46Å; F156-L189 HydrophobicContact CD1-CB 3.39Å; F156-L189 HydrophobicContact CD1-CD1 4.11Å; F156-L189 HydrophobicContact CD1-CG 4.28Å; F156-L189 HydrophobicContact CE1-CB 3.58Å; F156-L189 HydrophobicContact CE1-CD1 3.75Å; F156-L189 HydrophobicContact CE1-CD2 4.11Å; F156-L189 HydrophobicContact CE1-CG 4.03Å; F156-L189 HydrophobicContact CG-CB 4.42Å; F156-L189 HydrophobicContact CZ-CD1 4.19Å; R157-L189 PolarHBondContact N-O 2.97Å; L187-L189 HydrophobicContact CD2-CD1 3.83Å; L187-L189 HydrophobicContact CD2-CG 4.37Å; L187-L189 HydrophobicContact CG-CD1 3.73Å; L187-L189 HydrophobicContact CG-CG 4.04Å

Retrieved 189 of 189 residues in 45.9 ms (Link to these results)

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