A0A087XAQ7_POEFO Loading...

Protein-glutamine gamma-glutamyltransferase 2

AlphaFold DB , UniProt , Accession A0A087XAQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 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
1M54.1Low83.7Confident238 Ų23886.5 Ų86.5100%1.17244%0.44SS*.  0128.70-75-171.2-110.900106.6
2A65.3Low84.7Confident63 Ų6381.5 Ų81.552%0.52142%0.418SS..PPolyproline II helixtrans-66.3140.8175.100000109.5I54 S56A2-I54 CarbonylContact C-O 3.51Å; A2-I54 WeakPolarHBondContact CA-O 3.32Å; A2-I54 WeakPolarHBondContact CB-O 3.36Å; A2-S56 WeakPolarHBondContact CB-OG 3.15Å
3Q78.2Confident85.6Confident112 Ų11278.8 Ų78.852%0.52340%0.402SS..EExtended strand (participates in β ladder)trans-85.4116.3-179.7-176.1176-1.800108.9I54 S55 S56Q3-I54 PolarHBondContact N-O 2.81Å; Q3-S55 CarbonylContact O-C 3.6Å; Q3-S55 VanDerWaalsContact O-CA 3.26Å; Q3-S55 WeakPolarHBondContact O-CA 3.46Å; Q3-S56 PolarHBondContact O-N 3.27Å
4A83.9Confident86.5Confident63 Ų6374.6 Ų74.652%0.52138%0.383SS..EExtended strand (participates in β ladder)trans-62.6138.1173.700000110.4D6 S56A4-D6 PolarHBondContact O-N 2.88Å; A4-S56 WeakPolarHBondContact CA-O 3.45Å
5L86.1Confident87.2Confident19 Ų1977.4 Ų77.410%0.09940%0.398CS..PPolyproline II helixtrans-68.9127.8173.9-65.7-179.5000110.4I7 L45 Y50 S56 L57L5-I7 HydrophobicContact CB-CG1 4.46Å; L5-I7 PolarHBondContact O-N 3.28Å; L5-L45 HydrophobicContact CB-CD2 3.93Å; L5-L45 HydrophobicContact CD2-CD1 3.98Å; L5-L45 HydrophobicContact CD2-CD2 4.19Å; L5-L45 HydrophobicContact CG-CD2 4.43Å; L5-Y50 HydrophobicContact CD2-CD2 4.4Å; L5-S56 PolarHBondContact N-O 3.39Å; L5-L57 HydrophobicContact CD1-CB 4.21Å
6D88.3Confident87.9Confident51 Ų5180.1 Ų80.127%0.27341%0.406SS..EExtended strand (participates in β ladder)trans-9294.1175.7178.421.1000109A4 L45 R46 S47A4-D6 PolarHBondContact O-N 2.88Å; D6-L45 CarbonylContact O-C 3.39Å; D6-L45 VanDerWaalsContact O-CA 3.24Å; D6-L45 WeakPolarHBondContact O-CA 3.43Å; D6-R46 PolarHBondContact O-N 2.85Å; D6-R46 IonicContact OD1-CZ 3.33Å; D6-R46 IonicContact OD1-NH1 3.24Å; D6-R46 PolarHBondContact OD1-NH1 2.82Å; D6-R46 WeakPolarHBondContact OD2-CB 3.49Å; D6-S47 PolarHBondContact OD2-OG 3.37Å
7I91.1Very high88.5Confident2 Ų275.4 Ų75.41%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-83.4126.3-172.8-55.6171.8000109.6L5 W10 L43 L45 L57 L119 E123L5-I7 HydrophobicContact CB-CG1 4.46Å; L5-I7 PolarHBondContact O-N 3.28Å; I7-W10 HydrophobicContact CG2-CE3 4.29Å; I7-L43 HydrophobicContact CD1-CD1 4.02Å; I7-L45 HydrophobicContact CG1-CD2 4.42Å; I7-L57 HydrophobicContact CD1-CD1 3.98Å; I7-L119 HydrophobicContact CD1-CB 4.08Å; I7-E123 HydrophobicContact CB-CG 4.07Å; I7-E123 HydrophobicContact CD1-CG 4.36Å; I7-E123 HydrophobicContact CG2-CG 4.16Å
8E90.6Very high89.1Confident115 Ų11571.2 Ų71.254%0.53736%0.361SS..EExtended strand (participates in β ladder)trans-89.8-49.9173.6-167.7-179-179.800111.9Y44 R46E8-Y44 WeakPolarHBondContact CB-O 3.46Å; E8-Y44 PolarHBondContact N-O 3.48Å; E8-R46 HydrophobicContact CB-CB 3.84Å; E8-R46 HydrophobicContact CG-CB 4.36Å
9R92.6Very high89.5Confident134 Ų13471.3 Ų71.351%0.50637%0.366SS..EExtended strand (participates in β ladder)trans-151.5162.7-178.264.3178.3-176.7101.11.7110.4Y44R9-Y44 HydrophobicContact CG-CD2 3.79Å; R9-Y44 HydrophobicContact CG-CG 3.95Å; R9-Y44 PolarHBondContact N-O 2.92Å; R9-Y44 PolarHBondContact O-N 2.97Å
10W94.5Very high89.9Confident96 Ų9671.4 Ų71.436%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-136.5156.9178.357.789.2000111.4I7 I41 S42 L43 E123 I125I7-W10 HydrophobicContact CG2-CE3 4.29Å; W10-I41 HydrophobicContact CB-CG2 4.34Å; W10-S42 CarbonylContact C-O 3.5Å; W10-S42 WeakPolarHBondContact CA-O 3.48Å; W10-L43 HydrophobicContact CB-CD2 3.81Å; W10-E123 HydrophobicContact CE3-CB 4.17Å; W10-E123 HydrophobicContact CE3-CG 4.11Å; W10-E123 HydrophobicContact CH2-CB 4.31Å; W10-E123 HydrophobicContact CH2-CG 4.49Å; W10-E123 HydrophobicContact CZ3-CB 3.85Å; W10-E123 HydrophobicContact CZ3-CG 3.69Å; W10-I125 HydrophobicContact CB-CD1 4.34Å; W10-I125 HydrophobicContact CD2-CD1 4.49Å; W10-I125 HydrophobicContact CD2-CG1 4.46Å; W10-I125 HydrophobicContact CG-CD1 3.87Å; W10-I125 HydrophobicContact CG-CG1 4.24Å
11N95.7Very high90.4Very high58 Ų5868 Ų6831%0.3135%0.349SS..EExtended strand (participates in β ladder)trans-126.1118.1168.9-177.78.2000108.5E13 I41 S42 Y44N11-E13 WeakPolarHBondContact CB-OE1 3.37Å; N11-E13 VanDerWaalsContact CG-OE1 3.29Å; N11-E13 PolarHBondContact ND2-OE1 2.86Å; N11-E13 PolarHBondContact ND2-OE2 2.69Å; N11-E13 VanDerWaalsContact ND2-OE2 3.13Å; N11-E13 PolarHBondContact O-N 3.09Å; N11-E13 VanDerWaalsContact O-N 3.15Å; N11-E13 PolarHBondContact OD1-N 2.68Å; N11-I41 WeakPolarHBondContact O-CG2 3.2Å; N11-S42 PolarHBondContact N-O 2.96Å; N11-S42 PolarHBondContact O-N 3Å; N11-Y44 HydrophobicContact CB-CE2 4.41Å
12P95.8Very high92.5Very high27 Ų2760.4 Ų60.418%0.17531%0.308CS..  trans-69.5-0.9175.8-17.131.1000114.4C14 N17 L31 I125P12-C14 VanDerWaalsContact C-N 3.26Å; P12-C14 PolarHBondContact O-N 3.04Å; P12-N17 PolarHBondContact O-ND2 2.95Å; P12-L31 HydrophobicContact CB-CB 4.2Å; P12-L31 HydrophobicContact CB-CD2 4.09Å; P12-I125 HydrophobicContact CB-CG2 4.46Å; P12-I125 HydrophobicContact CG-CG2 4.16Å
13E97.3Very high94Very high47 Ų4757.4 Ų57.422%0.2228%0.283CS..  trans52.941.5179-55.9-58155.400113N11 L15 F16 N17 S42N11-E13 WeakPolarHBondContact CB-OE1 3.37Å; N11-E13 VanDerWaalsContact CG-OE1 3.29Å; N11-E13 PolarHBondContact ND2-OE1 2.86Å; N11-E13 PolarHBondContact ND2-OE2 2.69Å; N11-E13 VanDerWaalsContact ND2-OE2 3.13Å; N11-E13 PolarHBondContact O-N 3.09Å; N11-E13 VanDerWaalsContact O-N 3.15Å; N11-E13 PolarHBondContact OD1-N 2.68Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 2.81Å; E13-F16 HydrophobicContact CB-CB 4.43Å; E13-F16 PolarHBondContact O-N 2.93Å; E13-F16 VanDerWaalsContact O-N 3.09Å; E13-N17 PolarHBondContact O-N 3.31Å; E13-N17 PolarHBondContact O-ND2 2.9Å; E13-S42 VanDerWaalsContact OE1-CB 3.25Å; E13-S42 WeakPolarHBondContact OE1-CB 3.44Å; E13-S42 PolarHBondContact OE1-OG 3.48Å
14C97.8Very high94.9Very high19 Ų1955 Ų5513%0.12827%0.274CS..Hα-helixtrans-52.3-44.4-170.3-61.70000113.5P12 N18 V28P12-C14 VanDerWaalsContact C-N 3.26Å; P12-C14 PolarHBondContact O-N 3.04Å; C14-N18 WeakPolarHBondContact O-CB 3.4Å; C14-N18 PolarHBondContact O-N 2.89Å; C14-N18 PolarHBondContact O-OD1 3.23Å; C14-N18 VanDerWaalsContact O-OD1 3.13Å; C14-V28 WeakPolarHBondContact CB-O 3.33Å
15L97.3Very high95.3Very high117 Ų11753.8 Ų53.861%0.61326%0.258SS*.Hα-helixtrans-61-48.8179.3174.660.8000111.8E13 T19 V28E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 2.81Å; L15-T19 WeakPolarHBondContact O-CB 3.5Å; L15-T19 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-OG1 3.15Å; L15-V28 HydrophobicContact CB-CB 4.43Å; L15-V28 HydrophobicContact CD1-CB 4.39Å; L15-V28 HydrophobicContact CD1-CG1 3.88Å; L15-V28 HydrophobicContact CD1-CG2 4.41Å
16F97.8Very high95.7Very high120 Ų12054.2 Ų54.253%0.52626%0.261SS..Hα-helixtrans-65.2-52.4-179174.2-97.9000110.9E13 T19 D20E13-F16 HydrophobicContact CB-CB 4.43Å; E13-F16 PolarHBondContact O-N 2.93Å; E13-F16 VanDerWaalsContact O-N 3.09Å; F16-T19 PolarHBondContact O-N 3.1Å; F16-D20 PolarHBondContact O-N 3.19Å
17N98.4Very high95.9Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-64.2-46.7-177.5-71.3-35.5000111.8P12 E13 T19 D20 H21 L31 V33 F39 T40P12-N17 PolarHBondContact O-ND2 2.95Å; E13-N17 PolarHBondContact O-N 3.31Å; E13-N17 PolarHBondContact O-ND2 2.9Å; N17-T19 VanDerWaalsContact C-N 3.25Å; N17-T19 PolarHBondContact O-N 3.49Å; N17-D20 PolarHBondContact O-N 2.76Å; N17-H21 VanDerWaalsContact O-CB 3.3Å; N17-H21 WeakPolarHBondContact O-CB 3.47Å; N17-H21 PolarHBondContact O-CD2 3.41Å; N17-H21 PolarHBondContact O-N 2.85Å; N17-L31 HydrophobicContact CB-CD1 3.58Å; N17-V33 HydrophobicContact CB-CG1 4.32Å; N17-F39 HydrophobicContact CB-CB 4.42Å; N17-T40 PolarHBondContact ND2-O 2.78Å; N17-T40 PolarHBondContact OD1-N 3.08Å
18N98.6Very high96Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-65.8-32.8-178-65.919000111.4C14 R22 T23 D24 G27 V28 R30 I32C14-N18 WeakPolarHBondContact O-CB 3.4Å; C14-N18 PolarHBondContact O-N 2.89Å; C14-N18 PolarHBondContact O-OD1 3.23Å; C14-N18 VanDerWaalsContact O-OD1 3.13Å; N18-R22 PolarHBondContact O-N 3.16Å; N18-T23 WeakPolarHBondContact CA-OG1 3.49Å; N18-T23 WeakPolarHBondContact CB-OG1 3.5Å; N18-T23 PolarHBondContact O-N 3.37Å; N18-T23 PolarHBondContact O-OG1 3Å; N18-D24 HydrophobicContact CB-CB 4.38Å; N18-D24 PolarHBondContact O-N 2.9Å; N18-D24 VanDerWaalsContact O-N 3.15Å; N18-G27 PolarHBondContact ND2-O 2.71Å; N18-V28 HydrophobicContact CB-CG1 4.37Å; N18-R30 PolarHBondContact ND2-O 3.29Å; N18-I32 PolarHBondContact OD1-N 2.99Å; N18-I32 PolarHBondContact OD1-O 2.75Å
19T97.6Very high96.2Very high74 Ų7455.8 Ų55.845%0.45428%0.281SS..Hα-helixtrans-65.8-49173.4-55.50000111L15 F16 N17 H21 R22L15-T19 WeakPolarHBondContact O-CB 3.5Å; L15-T19 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-OG1 3.15Å; F16-T19 PolarHBondContact O-N 3.1Å; N17-T19 VanDerWaalsContact C-N 3.25Å; N17-T19 PolarHBondContact O-N 3.49Å; T19-H21 VanDerWaalsContact C-N 3.32Å; T19-H21 PolarHBondContact O-N 2.91Å; T19-R22 PolarHBondContact O-N 3.22Å; T19-R22 VanDerWaalsContact O-N 3.14Å
20D98.1Very high96.4Very high72 Ų7254.1 Ų54.139%0.38528%0.275SS..Hα-helixtrans-64.9-36.4-179.6-17060.7000112.6F16 N17 R22 Q37F16-D20 PolarHBondContact O-N 3.19Å; N17-D20 PolarHBondContact O-N 2.76Å; D20-R22 VanDerWaalsContact C-N 3.3Å; D20-R22 PolarHBondContact O-N 3.41Å; D20-R22 PolarHBondContact O-NH1 2.7Å; D20-Q37 PolarHBondContact O-NE2 2.56Å; D20-Q37 VanDerWaalsContact O-NE2 3.07Å; D20-Q37 PolarHBondContact OD2-NE2 3.08Å
21H98.6Very high96.6Very high0 Ų049.8 Ų49.80%026%0.259CS..THydrogen-bonded Turntrans-84-0.1176.6-75.6-93.4000114N17 T19 T23 R34 Q37 P38N17-H21 VanDerWaalsContact O-CB 3.3Å; N17-H21 WeakPolarHBondContact O-CB 3.47Å; N17-H21 PolarHBondContact O-CD2 3.41Å; N17-H21 PolarHBondContact O-N 2.85Å; T19-H21 VanDerWaalsContact C-N 3.32Å; T19-H21 PolarHBondContact O-N 2.91Å; H21-T23 VanDerWaalsContact C-N 3.34Å; H21-T23 HydrophobicContact CB-CG2 4.39Å; H21-T23 PolarHBondContact O-N 2.92Å; H21-R34 HydrophobicContact CB-CG 4.42Å; H21-R34 PolarHBondContact CE1-O 3.21Å; H21-R34 PolarHBondContact ND1-N 2.97Å; H21-R34 WeakPolarHBondContact O-CD 3.49Å; H21-R34 PolarHBondContact O-NE 2.82Å; H21-Q37 VanDerWaalsContact CE1-CG 3.41Å; H21-Q37 WeakPolarHBondContact CE1-CG 3.06Å; H21-Q37 PolarHBondContact CE1-O 2.77Å; H21-Q37 PolarHBondContact ND1-OE1 2.85Å; H21-P38 PolarHBondContact NE2-O 2.96Å
22R98.2Very high96.7Very high80 Ų8047.1 Ų47.130%0.30225%0.245SC..THydrogen-bonded Turntrans55.549.8179-53.6154.9176.481.7-15.9111.5N18 T19 D20 R34 W134 E145N18-R22 PolarHBondContact O-N 3.16Å; T19-R22 PolarHBondContact O-N 3.22Å; T19-R22 VanDerWaalsContact O-N 3.14Å; D20-R22 VanDerWaalsContact C-N 3.3Å; D20-R22 PolarHBondContact O-N 3.41Å; D20-R22 PolarHBondContact O-NH1 2.7Å; R22-R34 PolarHBondContact O-NH2 3.07Å; R22-W134 HydrophobicContact CB-CH2 4.34Å; R22-W134 HydrophobicContact CB-CZ2 4.5Å; R22-W134 VanDerWaalsContact CD-CD2 3.5Å; R22-W134 VanDerWaalsContact CD-CZ2 3.47Å; R22-W134 VanDerWaalsContact NE-NE1 3.17Å; R22-E145 IonicContact NH2-OE1 3.94Å
23T98.2Very high96.8Very high0 Ų045.9 Ų45.90%024%0.236CC..  trans-128.20179.352.40000111.8N18 H21 L25 N26 I32 R34 L130N18-T23 WeakPolarHBondContact CA-OG1 3.49Å; N18-T23 WeakPolarHBondContact CB-OG1 3.5Å; N18-T23 PolarHBondContact O-N 3.37Å; N18-T23 PolarHBondContact O-OG1 3Å; H21-T23 VanDerWaalsContact C-N 3.34Å; H21-T23 HydrophobicContact CB-CG2 4.39Å; H21-T23 PolarHBondContact O-N 2.92Å; T23-L25 PolarHBondContact O-N 3.24Å; T23-N26 WeakPolarHBondContact O-CB 3.47Å; T23-N26 PolarHBondContact O-N 2.81Å; T23-N26 PolarHBondContact O-ND2 2.95Å; T23-I32 WeakPolarHBondContact CB-O 3.47Å; T23-I32 HydrophobicContact CG2-CB 4.46Å; T23-I32 HydrophobicContact CG2-CG2 3.84Å; T23-I32 PolarHBondContact OG1-O 2.79Å; T23-R34 HydrophobicContact CG2-CG 4.16Å; T23-L130 HydrophobicContact CG2-CD1 4.19Å
24D95.6Very high96.9Very high61 Ų6143.7 Ų43.733%0.32623%0.226SC..G310 helixtrans-57-27.6178.260.5-58.1000113.7N18 N26 G27 V28N18-D24 HydrophobicContact CB-CB 4.38Å; N18-D24 PolarHBondContact O-N 2.9Å; N18-D24 VanDerWaalsContact O-N 3.15Å; D24-N26 PolarHBondContact O-N 3.44Å; D24-G27 WeakPolarHBondContact O-CA 3.44Å; D24-G27 PolarHBondContact O-N 2.71Å; D24-V28 HydrophobicContact CB-CG1 4.37Å
25L93.4Very high97Very high37 Ų3743 Ų4319%0.19422%0.221CC..G310 helixtrans-61.4-20.7172.6-67176.6000113.5T23 G27 F177T23-L25 PolarHBondContact O-N 3.24Å; L25-G27 PolarHBondContact O-N 3.32Å; L25-F177 HydrophobicContact CB-CB 3.89Å; L25-F177 HydrophobicContact CB-CD2 3.53Å; L25-F177 HydrophobicContact CB-CE2 4.17Å; L25-F177 HydrophobicContact CB-CG 3.74Å; L25-F177 HydrophobicContact CD1-CD2 3.56Å; L25-F177 HydrophobicContact CD1-CE2 3.59Å; L25-F177 HydrophobicContact CG-CD2 4.2Å; L25-F177 WeakPolarHBondContact O-CB 3.47Å
26N94.1Very high97Very high29 Ų2937.8 Ų37.816%0.15520%0.196CC..G310 helixtrans-81.4-1.1172.7-63.5-87.4000112.9T23 D24 I32 F177T23-N26 WeakPolarHBondContact O-CB 3.47Å; T23-N26 PolarHBondContact O-N 2.81Å; T23-N26 PolarHBondContact O-ND2 2.95Å; D24-N26 PolarHBondContact O-N 3.44Å; N26-I32 HydrophobicContact CB-CD1 3.57Å; N26-F177 WeakPolarHBondContact ND2-CD1 3.08Å; N26-F177 WeakPolarHBondContact OD1-CD1 3.41Å
27G91.9Very high97.1Very high27 Ų2733.4 Ų33.428%0.27818%0.177SC..  trans97.5171.5-16700000113.1N18 D24 L25N18-G27 PolarHBondContact ND2-O 2.71Å; D24-G27 WeakPolarHBondContact O-CA 3.44Å; D24-G27 PolarHBondContact O-N 2.71Å; L25-G27 PolarHBondContact O-N 3.32Å
28V94.3Very high97.1Very high63 Ų6335.3 Ų35.338%0.38219%0.189SC..SBendtrans-126.715.6-177.6-61.60000112C14 L15 N18 D24 R30C14-V28 WeakPolarHBondContact CB-O 3.33Å; L15-V28 HydrophobicContact CB-CB 4.43Å; L15-V28 HydrophobicContact CD1-CB 4.39Å; L15-V28 HydrophobicContact CD1-CG1 3.88Å; L15-V28 HydrophobicContact CD1-CG2 4.41Å; N18-V28 HydrophobicContact CB-CG1 4.37Å; D24-V28 HydrophobicContact CB-CG1 4.37Å; V28-R30 VanDerWaalsContact C-N 3.33Å
29D94.5Very high97Very high111 Ų11135.4 Ų35.459%0.59419%0.19SC*.SBendtrans-73.7-24.7175.361.8-49.6000112.6
30R96Very high97.1Very high99 Ų9933.4 Ų33.437%0.37418%0.177SC..SBendtrans-138.8155.4-17867.2-175.881.8170.88.1111.4N18 V28 I32 D183N18-R30 PolarHBondContact ND2-O 3.29Å; V28-R30 VanDerWaalsContact C-N 3.33Å; R30-I32 HydrophobicContact CG-CD1 4.01Å; R30-I32 HydrophobicContact CG-CG1 3.97Å; R30-I32 PolarHBondContact O-N 2.98Å; R30-D183 IonicContact CZ-OD2 3.75Å; R30-D183 IonicContact NH1-OD1 2.68Å; R30-D183 PolarHBondContact NH1-OD1 2.97Å; R30-D183 IonicContact NH1-OD2 3.37Å; R30-D183 PolarHBondContact NH1-OD2 3Å; R30-D183 IonicContact NH2-OD2 2.69Å
31L98.5Very high97Very high4 Ų430 Ų302%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-78.2116.7-179.7-176.761.7000110.7P12 N17 V33 F39 F127 I128P12-L31 HydrophobicContact CB-CB 4.2Å; P12-L31 HydrophobicContact CB-CD2 4.09Å; N17-L31 HydrophobicContact CB-CD1 3.58Å; L31-V33 HydrophobicContact CD1-CG1 3.65Å; L31-V33 HydrophobicContact CG-CG1 4.07Å; L31-F39 HydrophobicContact CD2-CD2 3.99Å; L31-F39 HydrophobicContact CD2-CE2 4.01Å; L31-F127 HydrophobicContact CB-CB 3.89Å; L31-F127 HydrophobicContact CD2-CB 3.82Å; L31-F127 HydrophobicContact CD2-CG 4.44Å; L31-F127 HydrophobicContact CG-CB 3.85Å; L31-F127 WeakPolarHBondContact O-CA 3.43Å; L31-F127 WeakPolarHBondContact O-CB 3.44Å; L31-I128 PolarHBondContact O-N 2.93Å
32I98.8Very high96.9Very high3 Ų330.5 Ų30.52%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-128.2114.4176.7-54.4171.3000107.4N18 T23 N26 R30 I128 L130 L182N18-I32 PolarHBondContact OD1-N 2.99Å; N18-I32 PolarHBondContact OD1-O 2.75Å; T23-I32 WeakPolarHBondContact CB-O 3.47Å; T23-I32 HydrophobicContact CG2-CB 4.46Å; T23-I32 HydrophobicContact CG2-CG2 3.84Å; T23-I32 PolarHBondContact OG1-O 2.79Å; N26-I32 HydrophobicContact CB-CD1 3.57Å; R30-I32 HydrophobicContact CG-CD1 4.01Å; R30-I32 HydrophobicContact CG-CG1 3.97Å; R30-I32 PolarHBondContact O-N 2.98Å; I32-I128 HydrophobicContact CG1-CB 4.36Å; I32-I128 HydrophobicContact CG1-CD1 4.45Å; I32-I128 HydrophobicContact CG2-CB 4.27Å; I32-I128 HydrophobicContact CG2-CG2 4.42Å; I32-L130 HydrophobicContact CG2-CD1 3.8Å; I32-L130 HydrophobicContact CG2-CG 4.19Å; I32-L182 HydrophobicContact CD1-CD2 3.94Å; I32-L182 HydrophobicContact CG2-CD2 4.15Å
33V98.8Very high96.8Very high0 Ų026.7 Ų26.70%015%0.148CC..EExtended strand (participates in β ladder)trans-128165.2-173.8-67.70000110.6N17 L31 F39 F127 I128 L129 L130N17-V33 HydrophobicContact CB-CG1 4.32Å; L31-V33 HydrophobicContact CD1-CG1 3.65Å; L31-V33 HydrophobicContact CG-CG1 4.07Å; V33-F39 HydrophobicContact CB-CD1 4.4Å; V33-F39 HydrophobicContact CG1-CB 3.83Å; V33-F39 HydrophobicContact CG1-CD1 4.32Å; V33-F39 HydrophobicContact CG1-CG 4.01Å; V33-F39 HydrophobicContact CG2-CD1 4.15Å; V33-F39 HydrophobicContact CG2-CE1 4.26Å; V33-F127 HydrophobicContact CG2-CD2 3.73Å; V33-F127 HydrophobicContact CG2-CE2 4.19Å; V33-I128 PolarHBondContact N-O 2.82Å; V33-L129 HydrophobicContact CG2-CD1 3.79Å; V33-L129 CarbonylContact O-C 3.55Å; V33-L129 WeakPolarHBondContact O-CA 3.39Å; V33-L130 PolarHBondContact O-N 2.81Å
34R98.9Very high96.5Very high1 Ų129.4 Ų29.40%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-112139179.2-57.4-174.6-178.5-83.4-1.7109.8H21 R22 T23 L130 F131 N132H21-R34 HydrophobicContact CB-CG 4.42Å; H21-R34 PolarHBondContact CE1-O 3.21Å; H21-R34 PolarHBondContact ND1-N 2.97Å; H21-R34 WeakPolarHBondContact O-CD 3.49Å; H21-R34 PolarHBondContact O-NE 2.82Å; R22-R34 PolarHBondContact O-NH2 3.07Å; T23-R34 HydrophobicContact CG2-CG 4.16Å; R34-L130 HydrophobicContact CG-CB 4.41Å; R34-F131 PolarHBondContact NH1-O 2.85Å; R34-F131 VanDerWaalsContact NH1-O 3.12Å; R34-N132 HydrophobicContact CB-CB 3.62Å; R34-N132 VanDerWaalsContact CB-CG 3.47Å
35R98.8Very high96.3Very high4 Ų427.2 Ų27.22%0.01515%0.147CC..THydrogen-bonded Turntrans-61.1151.5-174.769.1-172.1-173162.69.2113.2Q37 S106 P108 A110 L129 L130 F131 N132 D138 R207R35-Q37 PolarHBondContact O-N 2.97Å; R35-S106 WeakPolarHBondContact CA-OG 3.18Å; R35-S106 WeakPolarHBondContact CB-OG 3.36Å; R35-P108 VanDerWaalsContact CD-O 3.31Å; R35-P108 WeakPolarHBondContact CD-O 3.01Å; R35-P108 PolarHBondContact NE-O 2.96Å; R35-P108 PolarHBondContact NH2-O 3.34Å; R35-A110 HydrophobicContact CB-CB 4.5Å; R35-A110 WeakPolarHBondContact CD-O 3.3Å; R35-A110 PolarHBondContact NH1-O 3.07Å; R35-L129 HydrophobicContact CB-CD1 4.09Å; R35-L129 HydrophobicContact CB-CD2 4.08Å; R35-L129 HydrophobicContact CB-CG 4.01Å; R35-L130 PolarHBondContact N-O 2.81Å; R35-F131 VanDerWaalsContact CZ-CE1 3.42Å; R35-F131 VanDerWaalsContact NH2-CE1 3.3Å; R35-N132 HydrophobicContact CG-CB 4.29Å; R35-N132 WeakPolarHBondContact O-CB 3.26Å; R35-N132 PolarHBondContact O-ND2 2.92Å; R35-D138 VanDerWaalsContact CG-OD2 3.25Å; R35-D138 WeakPolarHBondContact CG-OD2 3.5Å; R35-D138 IonicContact CZ-OD1 3.54Å; R35-D138 IonicContact CZ-OD2 3.66Å; R35-D138 IonicContact NE-OD1 3.51Å; R35-D138 PolarHBondContact NE-OD1 3.45Å; R35-D138 IonicContact NE-OD2 3.21Å; R35-D138 PolarHBondContact NE-OD2 3.27Å; R35-D138 IonicContact NH2-OD1 2.73Å; R35-D138 PolarHBondContact NH2-OD1 2.93Å; R35-D138 IonicContact NH2-OD2 3.67Å; R35-R207 PolarHBondContact NH1-O 3.12Å
36G98.4Very high96.1Very high8 Ų832.6 Ų32.68%0.08217%0.165CC..THydrogen-bonded Turntrans71.411.4177.200000115.2S106 C135G36-S106 VanDerWaalsContact CA-O 3.32Å; G36-S106 WeakPolarHBondContact CA-O 3.38Å; G36-S106 PolarHBondContact N-O 2.79Å; G36-S106 PolarHBondContact N-OG 2.84Å; G36-S106 VanDerWaalsContact N-OG 3.11Å; G36-C135 PolarHBondContact O-SG 3.38Å
37Q98.6Very high95.7Very high28 Ų2834.4 Ų34.413%0.13118%0.18CC..SBendtrans-124.5136.3172176.4178.8-6.300108.8D20 H21 R35 N132D20-Q37 PolarHBondContact O-NE2 2.56Å; D20-Q37 VanDerWaalsContact O-NE2 3.07Å; D20-Q37 PolarHBondContact OD2-NE2 3.08Å; H21-Q37 VanDerWaalsContact CE1-CG 3.41Å; H21-Q37 WeakPolarHBondContact CE1-CG 3.06Å; H21-Q37 PolarHBondContact CE1-O 2.77Å; H21-Q37 PolarHBondContact ND1-OE1 2.85Å; R35-Q37 PolarHBondContact O-N 2.97Å; Q37-N132 WeakPolarHBondContact CB-ND2 3.38Å; Q37-N132 PolarHBondContact OE1-ND2 3.45Å
38P98.4Very high95.3Very high41 Ų4135.5 Ų35.527%0.26619%0.191SC..EExtended strand (participates in β ladder)trans-69.1142.8177.8-1931.7000113H21 I83 T85 I104 C105H21-P38 PolarHBondContact NE2-O 2.96Å; P38-I83 HydrophobicContact CB-CG1 4.44Å; P38-I83 HydrophobicContact CG-CG1 4.23Å; P38-T85 HydrophobicContact CG-CG2 4.43Å; P38-I104 CarbonylContact C-O 3.43Å; P38-I104 VanDerWaalsContact CA-O 3.23Å; P38-I104 WeakPolarHBondContact CA-O 3.45Å; P38-C105 HydrophobicContact CB-CB 4.26Å; P38-C105 HydrophobicContact CG-CB 4.11Å
39F98.5Very high94.9Very high2 Ų234.8 Ų34.81%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-127.8159.2170.861.1-83.9000110.5N17 L31 V33 I41 S103 I104N17-F39 HydrophobicContact CB-CB 4.42Å; L31-F39 HydrophobicContact CD2-CD2 3.99Å; L31-F39 HydrophobicContact CD2-CE2 4.01Å; V33-F39 HydrophobicContact CB-CD1 4.4Å; V33-F39 HydrophobicContact CG1-CB 3.83Å; V33-F39 HydrophobicContact CG1-CD1 4.32Å; V33-F39 HydrophobicContact CG1-CG 4.01Å; V33-F39 HydrophobicContact CG2-CD1 4.15Å; V33-F39 HydrophobicContact CG2-CE1 4.26Å; F39-I41 HydrophobicContact CD2-CG1 4.3Å; F39-I41 HydrophobicContact CE2-CD1 4.06Å; F39-I41 HydrophobicContact CE2-CG1 4.25Å; F39-S103 CarbonylContact O-C 3.09Å; F39-S103 WeakPolarHBondContact O-CA 3.25Å; F39-I104 VanDerWaalsContact CD1-O 3.26Å; F39-I104 WeakPolarHBondContact CD1-O 2.96Å; F39-I104 HydrophobicContact CE1-CB 4.02Å; F39-I104 HydrophobicContact CE1-CG2 3.86Å; F39-I104 HydrophobicContact CE2-CB 4.04Å; F39-I104 HydrophobicContact CE2-CD1 4.27Å; F39-I104 HydrophobicContact CE2-CG2 4.38Å; F39-I104 HydrophobicContact CZ-CB 3.77Å; F39-I104 HydrophobicContact CZ-CD1 4.41Å; F39-I104 HydrophobicContact CZ-CG2 3.65Å; F39-I104 PolarHBondContact N-O 3.28Å; F39-I104 PolarHBondContact O-N 3.04Å
40T97.7Very high94.5Very high31 Ų3130.8 Ų30.819%0.1917%0.166CC..EExtended strand (participates in β ladder)trans-112.2138.2-172.7-57.40000112.5N17 A101 L102N17-T40 PolarHBondContact ND2-O 2.78Å; N17-T40 PolarHBondContact OD1-N 3.08Å; T40-A101 HydrophobicContact CG2-CB 4.37Å; T40-L102 CarbonylContact C-O 3.51Å; T40-L102 WeakPolarHBondContact CA-O 3.33Å
41I97.3Very high93.9Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-124.9127.6170-56.3-177.4000108W10 N11 F39 L43 L102 I104 L117 I125W10-I41 HydrophobicContact CB-CG2 4.34Å; N11-I41 WeakPolarHBondContact O-CG2 3.2Å; F39-I41 HydrophobicContact CD2-CG1 4.3Å; F39-I41 HydrophobicContact CE2-CD1 4.06Å; F39-I41 HydrophobicContact CE2-CG1 4.25Å; I41-L43 HydrophobicContact CG2-CD2 3.74Å; I41-L102 PolarHBondContact N-O 2.87Å; I41-L102 WeakPolarHBondContact O-CB 3.35Å; I41-L102 PolarHBondContact O-N 3.27Å; I41-I104 HydrophobicContact CD1-CD1 3.84Å; I41-I104 HydrophobicContact CG1-CD1 4.47Å; I41-L117 HydrophobicContact CD1-CD2 3.64Å; I41-I125 HydrophobicContact CD1-CD1 3.74Å; I41-I125 HydrophobicContact CG2-CD1 3.87Å
42S96.4Very high93.2Very high11 Ų1134.2 Ų34.28%0.07719%0.193CC..EExtended strand (participates in β ladder)trans-87.8123172.8-56.50000109.7W10 N11 E13W10-S42 CarbonylContact C-O 3.5Å; W10-S42 WeakPolarHBondContact CA-O 3.48Å; N11-S42 PolarHBondContact N-O 2.96Å; N11-S42 PolarHBondContact O-N 3Å; E13-S42 VanDerWaalsContact OE1-CB 3.25Å; E13-S42 WeakPolarHBondContact OE1-CB 3.44Å; E13-S42 PolarHBondContact OE1-OG 3.48Å
43L94.9Very high92.4Very high0 Ų038.1 Ų38.10%023%0.234CC..EExtended strand (participates in β ladder)trans-107135.3174.9-48.2176.9000109.1I7 W10 I41 L57 M99 V100 L102 L119I7-L43 HydrophobicContact CD1-CD1 4.02Å; W10-L43 HydrophobicContact CB-CD2 3.81Å; I41-L43 HydrophobicContact CG2-CD2 3.74Å; L43-L57 HydrophobicContact CD1-CD2 3.91Å; L43-M99 CarbonylContact O-C 3.58Å; L43-M99 WeakPolarHBondContact O-CA 3.4Å; L43-V100 HydrophobicContact CB-CB 4.23Å; L43-V100 PolarHBondContact N-O 3.46Å; L43-V100 PolarHBondContact O-N 2.75Å; L43-L102 HydrophobicContact CD1-CB 4.34Å; L43-L102 HydrophobicContact CD1-CD2 4.12Å; L43-L102 HydrophobicContact CG-CB 4.5Å; L43-L119 HydrophobicContact CD1-CD1 4.39Å; L43-L119 HydrophobicContact CD2-CD1 3.61Å
44Y93.4Very high91.7Very high58 Ų5842 Ų4223%0.22725%0.254CS..EExtended strand (participates in β ladder)trans-112.5120.2175.9-59.8-93.9000107.9E8 R9 N11 M99E8-Y44 WeakPolarHBondContact CB-O 3.46Å; E8-Y44 PolarHBondContact N-O 3.48Å; R9-Y44 HydrophobicContact CG-CD2 3.79Å; R9-Y44 HydrophobicContact CG-CG 3.95Å; R9-Y44 PolarHBondContact N-O 2.92Å; R9-Y44 PolarHBondContact O-N 2.97Å; N11-Y44 HydrophobicContact CB-CE2 4.41Å; Y44-M99 HydrophobicContact CD1-CB 4.2Å; Y44-M99 HydrophobicContact CD1-CG 3.97Å; Y44-M99 HydrophobicContact CE1-CB 4.26Å; Y44-M99 HydrophobicContact CE1-CG 3.69Å
45L91.5Very high91.2Very high14 Ų1442.6 Ų42.67%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-83.6135.7-173.5-55.3179.6000110.6L5 D6 I7 S47 D98 V100L5-L45 HydrophobicContact CB-CD2 3.93Å; L5-L45 HydrophobicContact CD2-CD1 3.98Å; L5-L45 HydrophobicContact CD2-CD2 4.19Å; L5-L45 HydrophobicContact CG-CD2 4.43Å; D6-L45 CarbonylContact O-C 3.39Å; D6-L45 VanDerWaalsContact O-CA 3.24Å; D6-L45 WeakPolarHBondContact O-CA 3.43Å; I7-L45 HydrophobicContact CG1-CD2 4.42Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-D98 WeakPolarHBondContact CG-O 3.34Å; L45-D98 PolarHBondContact N-O 3.35Å; L45-V100 HydrophobicContact CD1-CG2 3.96Å; L45-V100 HydrophobicContact CD2-CG2 4.35Å; L45-V100 HydrophobicContact CG-CG2 4.17Å
46R89.3Confident90.7Very high151 Ų15144.2 Ų44.257%0.5727%0.271SS*.EExtended strand (participates in β ladder)trans-69-37174.1-179.3-177.2-65.4131.7-0.5110.9D6 E8D6-R46 PolarHBondContact O-N 2.85Å; D6-R46 IonicContact OD1-CZ 3.33Å; D6-R46 IonicContact OD1-NH1 3.24Å; D6-R46 PolarHBondContact OD1-NH1 2.82Å; D6-R46 WeakPolarHBondContact OD2-CB 3.49Å; E8-R46 HydrophobicContact CB-CB 3.84Å; E8-R46 HydrophobicContact CG-CB 4.36Å
47S84.8Confident90.4Very high66 Ų6644 Ų4446%0.46227%0.268SS..EExtended strand (participates in β ladder)trans-149.8150.3-179.668.90000111.6D6 L45D6-S47 PolarHBondContact OD2-OG 3.37Å; L45-S47 VanDerWaalsContact C-N 3.33Å
48G83.4Confident90.1Very high50 Ų5048 Ų4852%0.51529%0.29SS..SBendtrans78.9-170.5-179.600000114.1
49S85.7Confident90Very high49 Ų4946.1 Ų46.134%0.34328%0.278SS..  trans-139.8147.6177.961.20000109.3Q51 G97S49-Q51 PolarHBondContact O-N 2.83Å; S49-G97 VanDerWaalsContact CA-O 3.28Å; S49-G97 WeakPolarHBondContact CA-O 3.24Å; S49-G97 WeakPolarHBondContact CB-O 3.24Å
50Y86.6Confident90Very high26 Ų2647.9 Ų47.910%0.10229%0.286CS..  trans-62.2128.8171.2171.2-105.8000111.1L5 P52 L79 V92 G97 V100L5-Y50 HydrophobicContact CD2-CD2 4.4Å; Y50-P52 HydrophobicContact CD1-CG 4.49Å; Y50-P52 HydrophobicContact CE1-CB 4.45Å; Y50-P52 HydrophobicContact CE1-CG 3.76Å; Y50-L79 HydrophobicContact CD2-CD1 4.47Å; Y50-L79 HydrophobicContact CE2-CD1 3.78Å; Y50-V92 HydrophobicContact CD1-CB 4.21Å; Y50-V92 HydrophobicContact CD1-CG1 3.69Å; Y50-V92 HydrophobicContact CD1-CG2 4.34Å; Y50-V92 HydrophobicContact CD2-CG2 4.09Å; Y50-V92 HydrophobicContact CE1-CB 3.66Å; Y50-V92 HydrophobicContact CE1-CG1 3.59Å; Y50-V92 HydrophobicContact CE1-CG2 3.96Å; Y50-V92 HydrophobicContact CE2-CB 4.34Å; Y50-V92 HydrophobicContact CE2-CG2 3.73Å; Y50-V92 HydrophobicContact CG-CG1 4.32Å; Y50-V92 HydrophobicContact CG-CG2 4.39Å; Y50-G97 PolarHBondContact N-O 2.87Å; Y50-G97 VanDerWaalsContact N-O 3.11Å; Y50-V100 HydrophobicContact CG-CG2 4.45Å
51Q83.6Confident90Very high89 Ų8946.4 Ų46.442%0.41628%0.278SS..  trans-123.6117.4173.6-69.4-163.8-1300110.3S49 G53 I54 S55S49-Q51 PolarHBondContact O-N 2.83Å; Q51-G53 PolarHBondContact O-N 3.41Å; Q51-I54 HydrophobicContact CB-CB 3.94Å; Q51-I54 HydrophobicContact CB-CD1 4.22Å; Q51-I54 PolarHBondContact O-N 3.13Å; Q51-I54 VanDerWaalsContact OE1-CD1 3.23Å; Q51-S55 PolarHBondContact N-OG 2.9Å; Q51-S55 PolarHBondContact O-N 2.79Å; Q51-S55 PolarHBondContact O-OG 2.8Å
52P83.4Confident90.1Very high86 Ų8648.6 Ų48.656%0.55829%0.288SS*.THydrogen-bonded Turntrans-52.7130.1177.6-26.633000112.6Y50 I54Y50-P52 HydrophobicContact CD1-CG 4.49Å; Y50-P52 HydrophobicContact CE1-CB 4.45Å; Y50-P52 HydrophobicContact CE1-CG 3.76Å; P52-I54 PolarHBondContact O-N 2.97Å
53G82.1Confident90.2Very high85 Ų8548.3 Ų48.388%0.87629%0.285SS*.THydrogen-bonded Turntrans76-8.2179.900000115.7Q51Q51-G53 PolarHBondContact O-N 3.41Å
54I84.8Confident90.3Very high83 Ų8349.4 Ų49.443%0.42630%0.297SS..THydrogen-bonded Turntrans-110.4-44.1177.8-63.2169.8000110.6A2 Q3 Q51 P52A2-I54 CarbonylContact C-O 3.51Å; A2-I54 WeakPolarHBondContact CA-O 3.32Å; A2-I54 WeakPolarHBondContact CB-O 3.36Å; Q3-I54 PolarHBondContact N-O 2.81Å; Q51-I54 HydrophobicContact CB-CB 3.94Å; Q51-I54 HydrophobicContact CB-CD1 4.22Å; Q51-I54 PolarHBondContact O-N 3.13Å; Q51-I54 VanDerWaalsContact OE1-CD1 3.23Å; P52-I54 PolarHBondContact O-N 2.97Å
55S87Confident90.4Very high13 Ų1350.8 Ų50.89%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-77.9142177.7-58.70000111.7Q3 Q51Q3-S55 CarbonylContact O-C 3.6Å; Q3-S55 VanDerWaalsContact O-CA 3.26Å; Q3-S55 WeakPolarHBondContact O-CA 3.46Å; Q51-S55 PolarHBondContact N-OG 2.9Å; Q51-S55 PolarHBondContact O-N 2.79Å; Q51-S55 PolarHBondContact O-OG 2.8Å
56S89.4Confident90.5Very high38 Ų3855.4 Ų55.427%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-123.2147.2172.755.30000111.3A2 Q3 A4 L5A2-S56 WeakPolarHBondContact CB-OG 3.15Å; Q3-S56 PolarHBondContact O-N 3.27Å; A4-S56 WeakPolarHBondContact CA-O 3.45Å; L5-S56 PolarHBondContact N-O 3.39Å
57L91.6Very high90.8Very high4 Ų450.3 Ų50.32%0.02132%0.321CS..  trans-138.3120.7170.3-179.767000108.2L5 I7 L43 G78 L79 L102 L119L5-L57 HydrophobicContact CD1-CB 4.21Å; I7-L57 HydrophobicContact CD1-CD1 3.98Å; L43-L57 HydrophobicContact CD1-CD2 3.91Å; L57-G78 VanDerWaalsContact O-CA 3.29Å; L57-G78 WeakPolarHBondContact O-CA 3.49Å; L57-L79 HydrophobicContact CB-CD1 3.91Å; L57-L79 HydrophobicContact CB-CD2 4.14Å; L57-L79 HydrophobicContact CB-CG 3.83Å; L57-L79 HydrophobicContact CD2-CD2 4.37Å; L57-L102 HydrophobicContact CD2-CD1 4.13Å; L57-L102 HydrophobicContact CD2-CD2 3.7Å; L57-L119 HydrophobicContact CD1-CB 4.36Å; L57-L119 HydrophobicContact CD2-CD2 4.4Å
58D93.1Very high91.4Very high112 Ų11248.8 Ų48.860%0.59931%0.31SS*.EExtended strand (participates in β ladder)trans-88.7132.3171.3-68.1-33000109G120D58-G120 PolarHBondContact O-N 2.79Å
59C96.5Very high92Very high1 Ų151.5 Ų51.51%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-120.8134.9179-57.80000109.2R76 F77 L117 T118 L119C59-R76 WeakPolarHBondContact O-CA 3.46Å; C59-F77 WeakPolarHBondContact CA-O 3.22Å; C59-F77 HydrophobicContact CB-CD1 4.17Å; C59-F77 HydrophobicContact CB-CD2 3.68Å; C59-F77 HydrophobicContact CB-CE1 3.9Å; C59-F77 HydrophobicContact CB-CE2 3.38Å; C59-F77 HydrophobicContact CB-CG 4.07Å; C59-F77 HydrophobicContact CB-CZ 3.5Å; C59-F77 VanDerWaalsContact CB-CZ 3.5Å; C59-F77 WeakPolarHBondContact CB-O 3.39Å; C59-F77 PolarHBondContact N-O 2.82Å; C59-F77 PolarHBondContact O-N 2.86Å; C59-L117 HydrophobicContact CB-CD1 4.33Å; C59-T118 CarbonylContact C-O 3.45Å; C59-T118 WeakPolarHBondContact CA-O 3.39Å; C59-L119 HydrophobicContact CB-CD2 4.29Å
60I97.9Very high92.4Very high38 Ų3857.2 Ų57.220%0.19533%0.331CS..EExtended strand (participates in β ladder)trans-129.4112.9175.8-49.2-175.8000108.6E62 R74 A75 R76 L117 T118I60-E62 HydrophobicContact CG2-CG 3.95Å; I60-R74 HydrophobicContact CG2-CG 4.18Å; I60-A75 CarbonylContact C-O 3.53Å; I60-A75 WeakPolarHBondContact CA-O 3.33Å; I60-R76 HydrophobicContact CD1-CG 4.49Å; I60-R76 HydrophobicContact CG1-CG 4.18Å; I60-R76 HydrophobicContact CG2-CG 4.27Å; I60-L117 CarbonylContact O-C 3.58Å; I60-L117 WeakPolarHBondContact O-CA 3.41Å; I60-T118 PolarHBondContact N-O 3.16Å; I60-T118 PolarHBondContact O-N 3.13Å
61A98.3Very high92.8Very high1 Ų160 Ų601%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-99.5125.5173.200000110R74 A75 F77 W88 Y115 L117A61-R74 CarbonylContact O-C 3.58Å; A61-R74 VanDerWaalsContact O-CA 3.29Å; A61-R74 WeakPolarHBondContact O-CA 3.49Å; A61-A75 PolarHBondContact N-O 2.79Å; A61-A75 PolarHBondContact O-N 2.59Å; A61-F77 HydrophobicContact CB-CE1 4.04Å; A61-W88 HydrophobicContact CB-CD2 4.28Å; A61-W88 HydrophobicContact CB-CE3 3.97Å; A61-W88 HydrophobicContact CB-CH2 3.72Å; A61-W88 HydrophobicContact CB-CZ2 4.02Å; A61-W88 HydrophobicContact CB-CZ3 3.68Å; A61-Y115 HydrophobicContact CB-CD1 4.29Å; A61-L117 HydrophobicContact CB-CD1 4.33Å
62E98.4Very high93.4Very high46 Ų4656.8 Ų56.822%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-130.7140.2-176.4-74.2176.8140.900111.6I60 P67 T73 R74 Y115 T116I60-E62 HydrophobicContact CG2-CG 3.95Å; E62-P67 HydrophobicContact CB-CB 3.86Å; E62-P67 HydrophobicContact CB-CG 3.89Å; E62-P67 HydrophobicContact CG-CB 3.76Å; E62-P67 HydrophobicContact CG-CG 4.2Å; E62-T73 CarbonylContact C-O 3.5Å; E62-T73 WeakPolarHBondContact CA-O 3.23Å; E62-R74 HydrophobicContact CG-CB 4.09Å; E62-R74 HydrophobicContact CG-CG 3.76Å; E62-R74 VanDerWaalsContact OE1-CD 3.25Å; E62-R74 WeakPolarHBondContact OE1-CD 3.26Å; E62-R74 IonicContact OE1-CZ 3.56Å; E62-R74 IonicContact OE1-NE 3.63Å; E62-R74 PolarHBondContact OE1-NE 2.92Å; E62-R74 VanDerWaalsContact OE1-NE 3.08Å; E62-R74 IonicContact OE1-NH1 3.53Å; E62-R74 IonicContact OE1-NH2 2.61Å; E62-Y115 CarbonylContact O-C 3.49Å; E62-Y115 WeakPolarHBondContact O-CA 3.33Å; E62-Y115 WeakPolarHBondContact O-CD1 3.41Å; E62-T116 PolarHBondContact N-O 3.35Å; E62-T116 PolarHBondContact O-N 3.2Å
63T98.5Very high94.1Very high4 Ų452.8 Ų52.83%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-134.9147.8172.7-172.80000111.5T73 P111 R114 Y115 Y203T63-T73 HydrophobicContact CG2-CG2 4.02Å; T63-T73 PolarHBondContact N-O 3.13Å; T63-T73 WeakPolarHBondContact O-CB 3.2Å; T63-P111 HydrophobicContact CG2-CB 4.27Å; T63-R114 VanDerWaalsContact CB-O 3.29Å; T63-R114 WeakPolarHBondContact CB-O 3.14Å; T63-R114 PolarHBondContact OG1-O 3.47Å; T63-Y115 HydrophobicContact CG2-CD1 4.4Å; T63-Y115 HydrophobicContact CG2-CE1 3.72Å; T63-Y115 HydrophobicContact CG2-CE2 3.96Å; T63-Y115 VanDerWaalsContact CG2-CZ 3.45Å; T63-Y115 WeakPolarHBondContact CG2-OH 3.26Å; T63-Y203 HydrophobicContact CG2-CD1 4.33Å
64G96.7Very high94.9Very high24 Ų2451.7 Ų51.725%0.24728%0.276CS..SBendtrans77.6171.6178.700000114.8Q66 P67G64-Q66 VanDerWaalsContact C-N 3.27Å; G64-Q66 PolarHBondContact O-N 2.87Å; G64-P67 WeakPolarHBondContact O-CD 3.46Å; G64-P67 WeakPolarHBondContact O-CG 3.47Å
65P95.5Very high95.5Very high87 Ų8748.6 Ų48.657%0.56526%0.263SS*.SBendtrans-76.7-13.6-173.331.5-37000113.5P199P65-P199 HydrophobicContact CG-CB 3.55Å; P65-P199 HydrophobicContact CG-CG 3.91Å
66Q94.1Very high96Very high111 Ų11155.2 Ų55.252%0.51929%0.285SS..SBendtrans-133.768.7178.9-65.3178.5-17.500110.7G64 S68G64-Q66 VanDerWaalsContact C-N 3.27Å; G64-Q66 PolarHBondContact O-N 2.87Å; Q66-S68 PolarHBondContact O-N 2.9Å
67P96.1Very high96.3Very high44 Ų4454.5 Ų54.529%0.28628%0.278SS..  trans-62.8134.3-178.9-20.233.1000112.1E62 G64 R74E62-P67 HydrophobicContact CB-CB 3.86Å; E62-P67 HydrophobicContact CB-CG 3.89Å; E62-P67 HydrophobicContact CG-CB 3.76Å; E62-P67 HydrophobicContact CG-CG 4.2Å; G64-P67 WeakPolarHBondContact O-CD 3.46Å; G64-P67 WeakPolarHBondContact O-CG 3.47Å; P67-R74 HydrophobicContact CB-CB 4.06Å
68S96.6Very high96.4Very high33 Ų3355.8 Ų55.823%0.23129%0.292CS..  trans-149137-178.7167.10000111Q66 Q70 Y71 G72 T73 R74Q66-S68 PolarHBondContact O-N 2.9Å; S68-Q70 VanDerWaalsContact C-N 3.33Å; S68-Q70 PolarHBondContact OG-N 3.32Å; S68-Y71 CarbonylContact O-C 3.57Å; S68-Y71 PolarHBondContact O-N 3.11Å; S68-Y71 PolarHBondContact OG-N 2.83Å; S68-G72 PolarHBondContact O-N 3Å; S68-T73 PolarHBondContact N-OG1 3.37Å; S68-T73 PolarHBondContact O-N 2.91Å; S68-T73 PolarHBondContact O-OG1 3.23Å; S68-R74 PolarHBondContact O-N 3.37Å; S68-R74 VanDerWaalsContact O-N 3.12Å
69E96Very high96.4Very high108 Ų10852.6 Ų52.651%0.50527%0.274SS..THydrogen-bonded Turntrans-66-38.9176.2-68.9177.3-164.400110.9Y71 G72 R74 R76E69-Y71 PolarHBondContact O-N 2.77Å; E69-G72 WeakPolarHBondContact O-CA 3.36Å; E69-G72 PolarHBondContact O-N 3.24Å; E69-R74 WeakPolarHBondContact CA-O 3.47Å; E69-R74 HydrophobicContact CG-CB 4.14Å; E69-R74 HydrophobicContact CG-CG 4.01Å; E69-R76 WeakPolarHBondContact OE1-CD 3.36Å; E69-R76 WeakPolarHBondContact OE1-CG 3.28Å; E69-R76 IonicContact OE1-CZ 2.75Å; E69-R76 IonicContact OE1-NE 2.87Å; E69-R76 PolarHBondContact OE1-NE 2.77Å
70Q94.5Very high96.2Very high168 Ų16854.7 Ų54.779%0.78529%0.289SS*.THydrogen-bonded Turntrans-59.3-38.4175.1-175.5-174.71200111.7S68 G72S68-Q70 VanDerWaalsContact C-N 3.33Å; S68-Q70 PolarHBondContact OG-N 3.32Å; Q70-G72 VanDerWaalsContact C-N 3.28Å
71Y94.8Very high95.8Very high85 Ų8558.8 Ų58.833%0.33332%0.321SS..THydrogen-bonded Turntrans-86.50.9176.6-71.2-19.4000113.3S68 E69 T73 S204 R207S68-Y71 CarbonylContact O-C 3.57Å; S68-Y71 PolarHBondContact O-N 3.11Å; S68-Y71 PolarHBondContact OG-N 2.83Å; E69-Y71 PolarHBondContact O-N 2.77Å; Y71-T73 PolarHBondContact O-N 3.11Å; Y71-T73 VanDerWaalsContact O-N 3.1Å; Y71-S204 WeakPolarHBondContact O-CB 3.25Å; Y71-S204 PolarHBondContact O-OG 3.28Å; Y71-R207 VanDerWaalsContact C-NH2 3.35Å; Y71-R207 PolarHBondContact O-NH2 3Å
72G96.2Very high95.5Very high22 Ų2262.3 Ų62.323%0.22735%0.346CS..THydrogen-bonded Turntrans50.823.7-17300000114.5S68 E69 Q70 R74 P111S68-G72 PolarHBondContact O-N 3Å; E69-G72 WeakPolarHBondContact O-CA 3.36Å; E69-G72 PolarHBondContact O-N 3.24Å; Q70-G72 VanDerWaalsContact C-N 3.28Å; G72-R74 VanDerWaalsContact C-N 3.3Å; G72-P111 WeakPolarHBondContact O-CD 3.25Å
73T98.1Very high95.4Very high1 Ų162.6 Ų62.61%0.00635%0.348CS..SBendtrans-89.4-3.4169.751.40000111.5E62 T63 S68 Y71 P111E62-T73 CarbonylContact C-O 3.5Å; E62-T73 WeakPolarHBondContact CA-O 3.23Å; T63-T73 HydrophobicContact CG2-CG2 4.02Å; T63-T73 PolarHBondContact N-O 3.13Å; T63-T73 WeakPolarHBondContact O-CB 3.2Å; S68-T73 PolarHBondContact N-OG1 3.37Å; S68-T73 PolarHBondContact O-N 2.91Å; S68-T73 PolarHBondContact O-OG1 3.23Å; Y71-T73 PolarHBondContact O-N 3.11Å; Y71-T73 VanDerWaalsContact O-N 3.1Å; T73-P111 HydrophobicContact CG2-CG 4.33Å
74R98.3Very high95.2Very high63 Ų6365.8 Ų65.824%0.23837%0.365CS..EExtended strand (participates in β ladder)trans-130138167.4179.3176.3-169.7166.414.6109.9I60 A61 E62 P67 S68 E69 G72 R76I60-R74 HydrophobicContact CG2-CG 4.18Å; A61-R74 CarbonylContact O-C 3.58Å; A61-R74 VanDerWaalsContact O-CA 3.29Å; A61-R74 WeakPolarHBondContact O-CA 3.49Å; E62-R74 HydrophobicContact CG-CB 4.09Å; E62-R74 HydrophobicContact CG-CG 3.76Å; E62-R74 VanDerWaalsContact OE1-CD 3.25Å; E62-R74 WeakPolarHBondContact OE1-CD 3.26Å; E62-R74 IonicContact OE1-CZ 3.56Å; E62-R74 IonicContact OE1-NE 3.63Å; E62-R74 PolarHBondContact OE1-NE 2.92Å; E62-R74 VanDerWaalsContact OE1-NE 3.08Å; E62-R74 IonicContact OE1-NH1 3.53Å; E62-R74 IonicContact OE1-NH2 2.61Å; P67-R74 HydrophobicContact CB-CB 4.06Å; S68-R74 PolarHBondContact O-N 3.37Å; S68-R74 VanDerWaalsContact O-N 3.12Å; E69-R74 WeakPolarHBondContact CA-O 3.47Å; E69-R74 HydrophobicContact CG-CB 4.14Å; E69-R74 HydrophobicContact CG-CG 4.01Å; G72-R74 VanDerWaalsContact C-N 3.3Å; R74-R76 VanDerWaalsContact CZ-NH2 3.25Å
75A97.9Very high95.1Very high18 Ų1868.3 Ų68.315%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-134.8131.7171.800000110.3I60 A61 F77 W88I60-A75 CarbonylContact C-O 3.53Å; I60-A75 WeakPolarHBondContact CA-O 3.33Å; A61-A75 PolarHBondContact N-O 2.79Å; A61-A75 PolarHBondContact O-N 2.59Å; A75-F77 HydrophobicContact CB-CD1 4.46Å; A75-W88 HydrophobicContact CB-CB 4.03Å; A75-W88 HydrophobicContact CB-CD2 4.09Å; A75-W88 HydrophobicContact CB-CG 3.55Å
76R97Very high95.1Very high151 Ų15167.7 Ų67.757%0.5737%0.374SS*.EExtended strand (participates in β ladder)trans-110.6130.3172.5-60.2-176.2-170.4-161.2-2.1109.2C59 I60 E69 R74C59-R76 WeakPolarHBondContact O-CA 3.46Å; I60-R76 HydrophobicContact CD1-CG 4.49Å; I60-R76 HydrophobicContact CG1-CG 4.18Å; I60-R76 HydrophobicContact CG2-CG 4.27Å; E69-R76 WeakPolarHBondContact OE1-CD 3.36Å; E69-R76 WeakPolarHBondContact OE1-CG 3.28Å; E69-R76 IonicContact OE1-CZ 2.75Å; E69-R76 IonicContact OE1-NE 2.87Å; E69-R76 PolarHBondContact OE1-NE 2.77Å; R74-R76 VanDerWaalsContact CZ-NH2 3.25Å
77F96.3Very high95.2Very high24 Ų2465.7 Ų65.711%0.10537%0.369CS..EExtended strand (participates in β ladder)trans-151.8158.3-177.854.3-77.4000109.6C59 A61 A75 W88 A90 I104 L117C59-F77 WeakPolarHBondContact CA-O 3.22Å; C59-F77 HydrophobicContact CB-CD1 4.17Å; C59-F77 HydrophobicContact CB-CD2 3.68Å; C59-F77 HydrophobicContact CB-CE1 3.9Å; C59-F77 HydrophobicContact CB-CE2 3.38Å; C59-F77 HydrophobicContact CB-CG 4.07Å; C59-F77 HydrophobicContact CB-CZ 3.5Å; C59-F77 VanDerWaalsContact CB-CZ 3.5Å; C59-F77 WeakPolarHBondContact CB-O 3.39Å; C59-F77 PolarHBondContact N-O 2.82Å; C59-F77 PolarHBondContact O-N 2.86Å; A61-F77 HydrophobicContact CB-CE1 4.04Å; A75-F77 HydrophobicContact CB-CD1 4.46Å; F77-W88 HydrophobicContact CB-CB 4.49Å; F77-W88 HydrophobicContact CD1-CB 3.65Å; F77-W88 HydrophobicContact CD1-CE3 4.47Å; F77-W88 HydrophobicContact CD1-CG 4.36Å; F77-W88 HydrophobicContact CE1-CB 3.98Å; F77-W88 HydrophobicContact CE1-CD2 4.11Å; F77-W88 AromaticContact CE1-CE3 3.62Å; F77-W88 HydrophobicContact CE1-CE3 3.62Å; F77-W88 HydrophobicContact CE1-CG 4.3Å; F77-W88 HydrophobicContact CE1-CZ3 4.45Å; F77-W88 HydrophobicContact CG-CB 4.04Å; F77-W88 AromaticContact CZ-CE3 3.68Å; F77-W88 HydrophobicContact CZ-CE3 3.68Å; F77-W88 HydrophobicContact CZ-CZ3 4.32Å; F77-A90 HydrophobicContact CD2-CB 3.84Å; F77-A90 HydrophobicContact CE2-CB 3.86Å; F77-I104 HydrophobicContact CE2-CG2 3.95Å; F77-I104 HydrophobicContact CZ-CG2 4.04Å; F77-L117 HydrophobicContact CZ-CD1 4.04Å
78G93.9Very high95.3Very high31 Ų3164.8 Ų64.832%0.3236%0.36SS..EExtended strand (participates in β ladder)trans-128.1-173.8177.800000111.5L57 S80L57-G78 VanDerWaalsContact O-CA 3.29Å; L57-G78 WeakPolarHBondContact O-CA 3.49Å; G78-S80 PolarHBondContact O-N 2.79Å
79L93.5Very high95.3Very high44 Ų4463.5 Ų63.523%0.2335%0.351CS..BIsolated β-bridgetrans-66.6128.8178-60.5179.1000111.7Y50 L57 A90 V92 L102Y50-L79 HydrophobicContact CD2-CD1 4.47Å; Y50-L79 HydrophobicContact CE2-CD1 3.78Å; L57-L79 HydrophobicContact CB-CD1 3.91Å; L57-L79 HydrophobicContact CB-CD2 4.14Å; L57-L79 HydrophobicContact CB-CG 3.83Å; L57-L79 HydrophobicContact CD2-CD2 4.37Å; L79-A90 CarbonylContact C-O 3.47Å; L79-A90 WeakPolarHBondContact CA-O 3.32Å; L79-A90 HydrophobicContact CD2-CB 4.3Å; L79-V92 HydrophobicContact CD1-CG2 4.16Å; L79-V92 HydrophobicContact CD2-CG2 4.06Å; L79-L102 HydrophobicContact CD2-CD1 3.5Å
80S91.8Very high95.4Very high45 Ų4558.4 Ų58.432%0.31533%0.327SS..  trans-113162.5169.856.40000111.2G78 S82 A90 T91G78-S80 PolarHBondContact O-N 2.79Å; S80-S82 WeakPolarHBondContact CB-O 3.47Å; S80-S82 PolarHBondContact O-N 2.92Å; S80-S82 PolarHBondContact OG-O 2.85Å; S80-A90 PolarHBondContact N-O 2.9Å; S80-A90 PolarHBondContact OG-O 2.94Å; S80-A90 VanDerWaalsContact OG-O 3.1Å; S80-T91 WeakPolarHBondContact O-CB 3.41Å; S80-T91 PolarHBondContact O-OG1 3.22Å
81S88.8Confident95.4Very high124 Ų12451.1 Ų51.187%0.86729%0.294SS*.SBendtrans-68.7-22176.955.80000113.8
82S92.4Very high95.4Very high75 Ų7548 Ų4852%0.52428%0.284SS..SBendtrans-148.8156.7178.756.30000109.8S80S80-S82 WeakPolarHBondContact CB-O 3.47Å; S80-S82 PolarHBondContact O-N 2.92Å; S80-S82 PolarHBondContact OG-O 2.85Å
83I95.3Very high95.3Very high52 Ų5251.2 Ų51.227%0.26730%0.299SS..  trans-75132.4177-159.274.5000110.1P38 S89 T91 S103 C105P38-I83 HydrophobicContact CB-CG1 4.44Å; P38-I83 HydrophobicContact CG-CG1 4.23Å; I83-S89 VanDerWaalsContact CD1-OG 3.28Å; I83-S89 WeakPolarHBondContact CD1-OG 3.16Å; I83-T91 HydrophobicContact CB-CG2 4.01Å; I83-T91 HydrophobicContact CD1-CG2 4.18Å; I83-S103 WeakPolarHBondContact CD1-O 3.36Å; I83-C105 HydrophobicContact CD1-CB 3.81Å; I83-C105 HydrophobicContact CG1-CB 3.65Å
84D95.6Very high94.9Very high71 Ų7152 Ų5238%0.3831%0.305SS..  trans-105.7113.4171.7-179-12.8000108.4S86 T87 S89D84-S86 PolarHBondContact O-N 2.84Å; D84-S86 VanDerWaalsContact OD1-CB 3.29Å; D84-S86 WeakPolarHBondContact OD1-CB 3Å; D84-S86 PolarHBondContact OD1-N 3.17Å; D84-S86 PolarHBondContact OD1-OG 2.89Å; D84-S86 PolarHBondContact OD2-OG 3.49Å; D84-T87 HydrophobicContact CB-CG2 4.07Å; D84-T87 WeakPolarHBondContact OD2-CG2 3.44Å; D84-S89 PolarHBondContact N-OG 2.95Å; D84-S89 PolarHBondContact O-OG 2.75Å
85T94.6Very high94.2Very high77 Ų7754 Ų5447%0.47233%0.326SS..THydrogen-bonded Turntrans-80.9-1.1-176.759.90000113.6P38 P108P38-T85 HydrophobicContact CG-CG2 4.43Å; T85-P108 WeakPolarHBondContact O-CD 3.23Å; T85-P108 WeakPolarHBondContact O-CG 3.5Å
86S94.9Very high93.4Very high75 Ų7557.6 Ų57.652%0.52435%0.348SS..THydrogen-bonded Turntrans-92-21.7179.1750000113.4D84 S107D84-S86 PolarHBondContact O-N 2.84Å; D84-S86 VanDerWaalsContact OD1-CB 3.29Å; D84-S86 WeakPolarHBondContact OD1-CB 3Å; D84-S86 PolarHBondContact OD1-N 3.17Å; D84-S86 PolarHBondContact OD1-OG 2.89Å; D84-S86 PolarHBondContact OD2-OG 3.49Å; S86-S107 PolarHBondContact O-OG 2.82Å
87T96.3Very high92.6Very high68 Ų6851.4 Ų51.442%0.41733%0.331SS..SBendtrans-135.4177.3-173.7-168.40000111.7D84 S89 S106D84-T87 HydrophobicContact CB-CG2 4.07Å; D84-T87 WeakPolarHBondContact OD2-CG2 3.44Å; T87-S89 PolarHBondContact O-N 2.72Å; T87-S106 CarbonylContact O-C 3.52Å
88W97.9Very high92Very high25 Ų2555.6 Ų55.610%0.09536%0.355CS..  trans-68.6118.2166.1-7692.6000109.8A61 A75 F77 I104 C105 A110 Y115 F127 L129A61-W88 HydrophobicContact CB-CD2 4.28Å; A61-W88 HydrophobicContact CB-CE3 3.97Å; A61-W88 HydrophobicContact CB-CH2 3.72Å; A61-W88 HydrophobicContact CB-CZ2 4.02Å; A61-W88 HydrophobicContact CB-CZ3 3.68Å; A75-W88 HydrophobicContact CB-CB 4.03Å; A75-W88 HydrophobicContact CB-CD2 4.09Å; A75-W88 HydrophobicContact CB-CG 3.55Å; F77-W88 HydrophobicContact CB-CB 4.49Å; F77-W88 HydrophobicContact CD1-CB 3.65Å; F77-W88 HydrophobicContact CD1-CE3 4.47Å; F77-W88 HydrophobicContact CD1-CG 4.36Å; F77-W88 HydrophobicContact CE1-CB 3.98Å; F77-W88 HydrophobicContact CE1-CD2 4.11Å; F77-W88 AromaticContact CE1-CE3 3.62Å; F77-W88 HydrophobicContact CE1-CE3 3.62Å; F77-W88 HydrophobicContact CE1-CG 4.3Å; F77-W88 HydrophobicContact CE1-CZ3 4.45Å; F77-W88 HydrophobicContact CG-CB 4.04Å; F77-W88 AromaticContact CZ-CE3 3.68Å; F77-W88 HydrophobicContact CZ-CE3 3.68Å; F77-W88 HydrophobicContact CZ-CZ3 4.32Å; W88-I104 HydrophobicContact CE3-CG2 4.42Å; W88-I104 HydrophobicContact CZ3-CG2 4.37Å; W88-C105 VanDerWaalsContact CA-O 3.27Å; W88-C105 WeakPolarHBondContact CA-O 3.46Å; W88-A110 HydrophobicContact CZ2-CB 4.25Å; W88-Y115 HydrophobicContact CH2-CD1 4.43Å; W88-Y115 HydrophobicContact CH2-CE1 4.33Å; W88-Y115 HydrophobicContact CZ2-CD1 4.44Å; W88-Y115 AromaticContact CZ2-CE1 3.89Å; W88-Y115 HydrophobicContact CZ2-CE1 3.89Å; W88-F127 HydrophobicContact CH2-CE2 4.37Å; W88-F127 AromaticContact CH2-CZ 3.89Å; W88-F127 HydrophobicContact CH2-CZ 3.89Å; W88-F127 HydrophobicContact CZ3-CZ 4.36Å; W88-L129 HydrophobicContact CH2-CD2 4.31Å; W88-L129 HydrophobicContact CZ2-CD2 4.16Å
89S97.7Very high91.8Very high7 Ų757.5 Ų57.55%0.04936%0.356CS..EExtended strand (participates in β ladder)trans-143.1155.3-178.165.40000111.5I83 D84 T87 I104 C105I83-S89 VanDerWaalsContact CD1-OG 3.28Å; I83-S89 WeakPolarHBondContact CD1-OG 3.16Å; D84-S89 PolarHBondContact N-OG 2.95Å; D84-S89 PolarHBondContact O-OG 2.75Å; T87-S89 PolarHBondContact O-N 2.72Å; S89-I104 WeakPolarHBondContact O-CA 3.24Å; S89-C105 PolarHBondContact N-O 3.02Å; S89-C105 PolarHBondContact O-N 2.81Å
90A97Very high91.8Very high0 Ų055.4 Ų55.40%035%0.345CS..EExtended strand (participates in β ladder)trans-139.5136.2177.600000110.8F77 L79 S80 L102 S103 I104F77-A90 HydrophobicContact CD2-CB 3.84Å; F77-A90 HydrophobicContact CE2-CB 3.86Å; L79-A90 CarbonylContact C-O 3.47Å; L79-A90 WeakPolarHBondContact CA-O 3.32Å; L79-A90 HydrophobicContact CD2-CB 4.3Å; S80-A90 PolarHBondContact N-O 2.9Å; S80-A90 PolarHBondContact OG-O 2.94Å; S80-A90 VanDerWaalsContact OG-O 3.1Å; A90-L102 HydrophobicContact CB-CD1 4.09Å; A90-S103 CarbonylContact C-O 3.55Å; A90-S103 VanDerWaalsContact CA-O 3.27Å; A90-S103 WeakPolarHBondContact CA-O 3.38Å; A90-I104 HydrophobicContact CB-CG1 4.38Å
91T95.6Very high92Very high15 Ų1553.9 Ų53.99%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-140.9152.2175.3-163.70000110.9S80 I83 T93 S103S80-T91 WeakPolarHBondContact O-CB 3.41Å; S80-T91 PolarHBondContact O-OG1 3.22Å; I83-T91 HydrophobicContact CB-CG2 4.01Å; I83-T91 HydrophobicContact CD1-CG2 4.18Å; T91-T93 HydrophobicContact CG2-CG2 4.28Å; T91-S103 PolarHBondContact N-O 3.37Å; T91-S103 PolarHBondContact O-N 3.06Å
92V94.8Very high92.3Very high21 Ų2148 Ų4813%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-91.5126.1175.7176.90000108.9Y50 L79 V100 A101 L102Y50-V92 HydrophobicContact CD1-CB 4.21Å; Y50-V92 HydrophobicContact CD1-CG1 3.69Å; Y50-V92 HydrophobicContact CD1-CG2 4.34Å; Y50-V92 HydrophobicContact CD2-CG2 4.09Å; Y50-V92 HydrophobicContact CE1-CB 3.66Å; Y50-V92 HydrophobicContact CE1-CG1 3.59Å; Y50-V92 HydrophobicContact CE1-CG2 3.96Å; Y50-V92 HydrophobicContact CE2-CB 4.34Å; Y50-V92 HydrophobicContact CE2-CG2 3.73Å; Y50-V92 HydrophobicContact CG-CG1 4.32Å; Y50-V92 HydrophobicContact CG-CG2 4.39Å; L79-V92 HydrophobicContact CD1-CG2 4.16Å; L79-V92 HydrophobicContact CD2-CG2 4.06Å; V92-V100 HydrophobicContact CB-CG1 4.3Å; V92-V100 HydrophobicContact CG1-CG1 3.74Å; V92-V100 HydrophobicContact CG2-CG1 3.62Å; V92-A101 WeakPolarHBondContact CA-O 3.48Å; V92-L102 HydrophobicContact CG2-CD1 4.45Å
93T93.1Very high92.6Very high88 Ų8845 Ų4554%0.5427%0.274SS..  trans-105.4-16.1-178.758.30000113.2T91 A101T91-T93 HydrophobicContact CG2-CG2 4.28Å; T93-A101 PolarHBondContact N-O 2.93Å; T93-A101 WeakPolarHBondContact OG1-CB 3.47Å; T93-A101 PolarHBondContact OG1-O 3.34Å
94S89.3Confident92.7Very high19 Ų1942.6 Ų42.613%0.13326%0.261CS..SBendtrans-79.2154.6175.359.90000112M99 V100 A101S94-M99 PolarHBondContact OG-O 3.36Å; S94-V100 WeakPolarHBondContact OG-CA 3.3Å; S94-A101 PolarHBondContact OG-N 3.23Å
95P84.8Confident92.8Very high104 Ų10439.2 Ų39.268%0.67524%0.243SC*.PPolyproline II helixtrans-58.1162.7164.6-21.933.5000112.3G97P95-G97 PolarHBondContact O-N 2.67Å
96P80.4Confident93Very high93 Ų9335.5 Ų35.560%0.60422%0.22SC*.SBendtrans-53.8130.5171.5-25.835.3000111.8
97G80.9Confident93.2Very high21 Ų2133 Ų3322%0.21620%0.203CC..SBendtrans178.5-173.8-175.700000112.4S49 Y50 P95S49-G97 VanDerWaalsContact CA-O 3.28Å; S49-G97 WeakPolarHBondContact CA-O 3.24Å; S49-G97 WeakPolarHBondContact CB-O 3.24Å; Y50-G97 PolarHBondContact N-O 2.87Å; Y50-G97 VanDerWaalsContact N-O 3.11Å; P95-G97 PolarHBondContact O-N 2.67Å
98D82.6Confident93.3Very high113 Ų11330 Ų3060%0.60419%0.185SC*.SBendtrans-83-20.9174.561-18.3000112.8L45L45-D98 WeakPolarHBondContact CG-O 3.34Å; L45-D98 PolarHBondContact N-O 3.35Å
99M91.3Very high93.3Very high70 Ų7036 Ų3635%0.34521%0.212SC..EExtended strand (participates in β ladder)trans-100.9128167.8-171.6-80.9-71.600110.8L43 Y44 S94 A101L43-M99 CarbonylContact O-C 3.58Å; L43-M99 WeakPolarHBondContact O-CA 3.4Å; Y44-M99 HydrophobicContact CD1-CB 4.2Å; Y44-M99 HydrophobicContact CD1-CG 3.97Å; Y44-M99 HydrophobicContact CE1-CB 4.26Å; Y44-M99 HydrophobicContact CE1-CG 3.69Å; S94-M99 PolarHBondContact OG-O 3.36Å; M99-A101 HydrophobicContact SD-CB 4.37Å
100V93Very high93.3Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-114.5112.6179.3-179.40000109.1L43 L45 Y50 V92 S94 L102L43-V100 HydrophobicContact CB-CB 4.23Å; L43-V100 PolarHBondContact N-O 3.46Å; L43-V100 PolarHBondContact O-N 2.75Å; L45-V100 HydrophobicContact CD1-CG2 3.96Å; L45-V100 HydrophobicContact CD2-CG2 4.35Å; L45-V100 HydrophobicContact CG-CG2 4.17Å; Y50-V100 HydrophobicContact CG-CG2 4.45Å; V92-V100 HydrophobicContact CB-CG1 4.3Å; V92-V100 HydrophobicContact CG1-CG1 3.74Å; V92-V100 HydrophobicContact CG2-CG1 3.62Å; S94-V100 WeakPolarHBondContact OG-CA 3.3Å; V100-L102 PolarHBondContact O-N 3.25Å
101A95.3Very high93.4Very high14 Ų1435.9 Ų35.912%0.11621%0.211CC..EExtended strand (participates in β ladder)trans-82.6105.7168.600000108.8T40 V92 T93 S94 M99T40-A101 HydrophobicContact CG2-CB 4.37Å; V92-A101 WeakPolarHBondContact CA-O 3.48Å; T93-A101 PolarHBondContact N-O 2.93Å; T93-A101 WeakPolarHBondContact OG1-CB 3.47Å; T93-A101 PolarHBondContact OG1-O 3.34Å; S94-A101 PolarHBondContact OG-N 3.23Å; M99-A101 HydrophobicContact SD-CB 4.37Å
102L96.1Very high93.5Very high0 Ų035.2 Ų35.20%021%0.206CC..EExtended strand (participates in β ladder)trans-94.8113.4-179-175.269.6000109.6T40 I41 L43 L57 L79 A90 V92 V100 I104 L119T40-L102 CarbonylContact C-O 3.51Å; T40-L102 WeakPolarHBondContact CA-O 3.33Å; I41-L102 PolarHBondContact N-O 2.87Å; I41-L102 WeakPolarHBondContact O-CB 3.35Å; I41-L102 PolarHBondContact O-N 3.27Å; L43-L102 HydrophobicContact CD1-CB 4.34Å; L43-L102 HydrophobicContact CD1-CD2 4.12Å; L43-L102 HydrophobicContact CG-CB 4.5Å; L57-L102 HydrophobicContact CD2-CD1 4.13Å; L57-L102 HydrophobicContact CD2-CD2 3.7Å; L79-L102 HydrophobicContact CD2-CD1 3.5Å; A90-L102 HydrophobicContact CB-CD1 4.09Å; V92-L102 HydrophobicContact CG2-CD1 4.45Å; V100-L102 PolarHBondContact O-N 3.25Å; L102-I104 HydrophobicContact CD2-CD1 3.75Å; L102-I104 HydrophobicContact CD2-CG1 3.93Å; L102-I104 HydrophobicContact CG-CD1 4.27Å; L102-I104 HydrophobicContact CG-CG1 3.9Å; L102-L119 HydrophobicContact CD2-CD2 4.11Å
103S97.6Very high93.7Very high13 Ų1334.2 Ų34.29%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-89.2124.6169.6-174.10000109.8F39 I83 A90 T91F39-S103 CarbonylContact O-C 3.09Å; F39-S103 WeakPolarHBondContact O-CA 3.25Å; I83-S103 WeakPolarHBondContact CD1-O 3.36Å; A90-S103 CarbonylContact C-O 3.55Å; A90-S103 VanDerWaalsContact CA-O 3.27Å; A90-S103 WeakPolarHBondContact CA-O 3.38Å; T91-S103 PolarHBondContact N-O 3.37Å; T91-S103 PolarHBondContact O-N 3.06Å
104I98.2Very high94Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-119.4135.9179.5-57.9178.9000108.6P38 F39 I41 F77 W88 S89 A90 L102 L117P38-I104 CarbonylContact C-O 3.43Å; P38-I104 VanDerWaalsContact CA-O 3.23Å; P38-I104 WeakPolarHBondContact CA-O 3.45Å; F39-I104 VanDerWaalsContact CD1-O 3.26Å; F39-I104 WeakPolarHBondContact CD1-O 2.96Å; F39-I104 HydrophobicContact CE1-CB 4.02Å; F39-I104 HydrophobicContact CE1-CG2 3.86Å; F39-I104 HydrophobicContact CE2-CB 4.04Å; F39-I104 HydrophobicContact CE2-CD1 4.27Å; F39-I104 HydrophobicContact CE2-CG2 4.38Å; F39-I104 HydrophobicContact CZ-CB 3.77Å; F39-I104 HydrophobicContact CZ-CD1 4.41Å; F39-I104 HydrophobicContact CZ-CG2 3.65Å; F39-I104 PolarHBondContact N-O 3.28Å; F39-I104 PolarHBondContact O-N 3.04Å; I41-I104 HydrophobicContact CD1-CD1 3.84Å; I41-I104 HydrophobicContact CG1-CD1 4.47Å; F77-I104 HydrophobicContact CE2-CG2 3.95Å; F77-I104 HydrophobicContact CZ-CG2 4.04Å; W88-I104 HydrophobicContact CE3-CG2 4.42Å; W88-I104 HydrophobicContact CZ3-CG2 4.37Å; S89-I104 WeakPolarHBondContact O-CA 3.24Å; A90-I104 HydrophobicContact CB-CG1 4.38Å; L102-I104 HydrophobicContact CD2-CD1 3.75Å; L102-I104 HydrophobicContact CD2-CG1 3.93Å; L102-I104 HydrophobicContact CG-CD1 4.27Å; L102-I104 HydrophobicContact CG-CG1 3.9Å; I104-L117 HydrophobicContact CD1-CD2 3.45Å; I104-L117 VanDerWaalsContact CD1-CD2 3.45Å
105C98.3Very high94.4Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-123.3133.3171.7-169.20000109.2P38 I83 W88 S89P38-C105 HydrophobicContact CB-CB 4.26Å; P38-C105 HydrophobicContact CG-CB 4.11Å; I83-C105 HydrophobicContact CD1-CB 3.81Å; I83-C105 HydrophobicContact CG1-CB 3.65Å; W88-C105 VanDerWaalsContact CA-O 3.27Å; W88-C105 WeakPolarHBondContact CA-O 3.46Å; S89-C105 PolarHBondContact N-O 3.02Å; S89-C105 PolarHBondContact O-N 2.81Å
106S98.4Very high95.1Very high0 Ų030.1 Ų30.10%016%0.163CC..  trans-84160168.782.90000110.3R35 G36 T87R35-S106 WeakPolarHBondContact CA-OG 3.18Å; R35-S106 WeakPolarHBondContact CB-OG 3.36Å; G36-S106 VanDerWaalsContact CA-O 3.32Å; G36-S106 WeakPolarHBondContact CA-O 3.38Å; G36-S106 PolarHBondContact N-O 2.79Å; G36-S106 PolarHBondContact N-OG 2.84Å; G36-S106 VanDerWaalsContact N-OG 3.11Å; T87-S106 CarbonylContact O-C 3.52Å
107S98Very high95.9Very high22 Ų2225.7 Ų25.715%0.15413%0.134CC..  trans-60.8143.2165.5-176.30000110.9S86 K109 A110S86-S107 PolarHBondContact O-OG 2.82Å; S107-K109 PolarHBondContact O-N 2.83Å; S107-K109 VanDerWaalsContact O-N 3.12Å; S107-K109 PolarHBondContact OG-N 2.79Å; S107-A110 VanDerWaalsContact O-CB 3.24Å; S107-A110 WeakPolarHBondContact O-CB 3.37Å; S107-A110 PolarHBondContact O-N 2.89Å
108P98.3Very high96.7Very high6 Ų625.7 Ų25.74%0.03913%0.13CC..THydrogen-bonded Turntrans-62.4-12.8168.8-19.530.8000113.1R35 T85 A137R35-P108 VanDerWaalsContact CD-O 3.31Å; R35-P108 WeakPolarHBondContact CD-O 3.01Å; R35-P108 PolarHBondContact NE-O 2.96Å; R35-P108 PolarHBondContact NH2-O 3.34Å; T85-P108 WeakPolarHBondContact O-CD 3.23Å; T85-P108 WeakPolarHBondContact O-CG 3.5Å; P108-A137 HydrophobicContact CB-CB 3.92Å; P108-A137 HydrophobicContact CG-CB 3.71Å
109K97.9Very high97.2Very high151 Ų15120.3 Ų20.366%0.65710%0.101SC*.THydrogen-bonded Turntrans-105.813.5176.7-60.1179.7-177.9176.30112.7S107 R207S107-K109 PolarHBondContact O-N 2.83Å; S107-K109 VanDerWaalsContact O-N 3.12Å; S107-K109 PolarHBondContact OG-N 2.79Å; K109-R207 WeakPolarHBondContact O-CB 3.38Å
110A98.6Very high97Very high3 Ų318.4 Ų18.43%0.02510%0.099CC..PPolyproline II helixtrans-63.7142.7174.600000110.5R35 W88 S107 L129R35-A110 HydrophobicContact CB-CB 4.5Å; R35-A110 WeakPolarHBondContact CD-O 3.3Å; R35-A110 PolarHBondContact NH1-O 3.07Å; W88-A110 HydrophobicContact CZ2-CB 4.25Å; S107-A110 VanDerWaalsContact O-CB 3.24Å; S107-A110 WeakPolarHBondContact O-CB 3.37Å; S107-A110 PolarHBondContact O-N 2.89Å; A110-L129 HydrophobicContact CB-CD2 3.69Å
111P98.8Very high96.2Very high1 Ų127 Ų271%0.00614%0.139CC..PPolyproline II helixtrans-52.7143.9165.2-25.834.5000112.3T63 G72 T73 Y115 Y203 R207T63-P111 HydrophobicContact CG2-CB 4.27Å; G72-P111 WeakPolarHBondContact O-CD 3.25Å; T73-P111 HydrophobicContact CG2-CG 4.33Å; P111-Y115 WeakPolarHBondContact CD-OH 3.36Å; P111-Y115 VanDerWaalsContact O-CE2 3.27Å; P111-Y115 WeakPolarHBondContact O-CE2 3.26Å; P111-Y115 PolarHBondContact O-OH 2.65Å; P111-Y203 WeakPolarHBondContact CB-O 3.49Å; P111-R207 HydrophobicContact CG-CB 4.24Å
112I98.9Very high95.4Very high0 Ų030.1 Ų30.10%016%0.161CC..PPolyproline II helixtrans-84.7154.1169.463.6149.3000110.5L129 F131 L189 R206 L283I112-L129 CarbonylContact C-O 3.58Å; I112-L129 VanDerWaalsContact CA-O 3.25Å; I112-L129 WeakPolarHBondContact CA-O 3.38Å; I112-L129 VanDerWaalsContact CB-O 3.29Å; I112-L129 WeakPolarHBondContact CB-O 3.47Å; I112-F131 HydrophobicContact CB-CE2 4.4Å; I112-F131 HydrophobicContact CD1-CD2 3.79Å; I112-F131 HydrophobicContact CD1-CE2 3.44Å; I112-F131 VanDerWaalsContact CD1-CE2 3.44Å; I112-F131 HydrophobicContact CD1-CZ 4.37Å; I112-F131 HydrophobicContact CG1-CD2 4.27Å; I112-F131 HydrophobicContact CG1-CE2 3.75Å; I112-F131 HydrophobicContact CG1-CZ 4.22Å; I112-F131 HydrophobicContact CG2-CD1 4.11Å; I112-F131 HydrophobicContact CG2-CD2 3.69Å; I112-F131 HydrophobicContact CG2-CE1 4.19Å; I112-F131 HydrophobicContact CG2-CE2 3.8Å; I112-F131 HydrophobicContact CG2-CG 3.84Å; I112-F131 HydrophobicContact CG2-CZ 4.04Å; I112-L189 HydrophobicContact CD1-CD1 4.22Å; I112-R206 HydrophobicContact CG1-CB 4.15Å; I112-R206 WeakPolarHBondContact CG1-O 3.33Å; I112-R206 PolarHBondContact N-O 2.92Å; I112-L283 HydrophobicContact CD1-CB 4.04Å; I112-L283 HydrophobicContact CD1-CD1 4.2Å; I112-L283 HydrophobicContact CD1-CD2 3.96Å; I112-L283 HydrophobicContact CD1-CG 4.27Å
113G98.6Very high95Very high1 Ų131.6 Ų31.61%0.0117%0.167CC..EExtended strand (participates in β ladder)trans143.4-165.9175.800000114Y115 I128 L129G113-Y115 WeakPolarHBondContact O-CD2 3.49Å; G113-I128 WeakPolarHBondContact O-CA 3.12Å; G113-L129 PolarHBondContact N-O 2.92Å; G113-L129 PolarHBondContact O-N 3.35Å
114R98.6Very high94.8Very high86 Ų8637.3 Ų37.333%0.32519%0.191SC..EExtended strand (participates in β ladder)trans-78135.7171.9-61.8-174.6178.882.82109.7T63 I128 D183 L186T63-R114 VanDerWaalsContact CB-O 3.29Å; T63-R114 WeakPolarHBondContact CB-O 3.14Å; T63-R114 PolarHBondContact OG1-O 3.47Å; R114-I128 HydrophobicContact CG-CG1 4.31Å; R114-D183 IonicContact CZ-OD1 2.72Å; R114-D183 IonicContact NE-OD1 3.54Å; R114-D183 PolarHBondContact NH2-O 2.59Å; R114-D183 IonicContact NH2-OD1 3.54Å; R114-D183 PolarHBondContact NH2-OD1 2.89Å; R114-L186 HydrophobicContact CG-CD1 3.97Å
115Y98.7Very high94.7Very high2 Ų237.5 Ų37.51%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-127.6142.6180-85.1-99000111.3A61 E62 T63 W88 P111 G113 E126 F127 L129A61-Y115 HydrophobicContact CB-CD1 4.29Å; E62-Y115 CarbonylContact O-C 3.49Å; E62-Y115 WeakPolarHBondContact O-CA 3.33Å; E62-Y115 WeakPolarHBondContact O-CD1 3.41Å; T63-Y115 HydrophobicContact CG2-CD1 4.4Å; T63-Y115 HydrophobicContact CG2-CE1 3.72Å; T63-Y115 HydrophobicContact CG2-CE2 3.96Å; T63-Y115 VanDerWaalsContact CG2-CZ 3.45Å; T63-Y115 WeakPolarHBondContact CG2-OH 3.26Å; W88-Y115 HydrophobicContact CH2-CD1 4.43Å; W88-Y115 HydrophobicContact CH2-CE1 4.33Å; W88-Y115 HydrophobicContact CZ2-CD1 4.44Å; W88-Y115 AromaticContact CZ2-CE1 3.89Å; W88-Y115 HydrophobicContact CZ2-CE1 3.89Å; P111-Y115 WeakPolarHBondContact CD-OH 3.36Å; P111-Y115 VanDerWaalsContact O-CE2 3.27Å; P111-Y115 WeakPolarHBondContact O-CE2 3.26Å; P111-Y115 PolarHBondContact O-OH 2.65Å; G113-Y115 WeakPolarHBondContact O-CD2 3.49Å; Y115-E126 WeakPolarHBondContact O-CA 3.37Å; Y115-F127 HydrophobicContact CD1-CZ 4.04Å; Y115-F127 HydrophobicContact CD2-CE2 4.34Å; Y115-F127 HydrophobicContact CD2-CZ 4.39Å; Y115-F127 HydrophobicContact CG-CE1 4.16Å; Y115-F127 HydrophobicContact CG-CE2 4.06Å; Y115-F127 AromaticContact CG-CZ 3.68Å; Y115-F127 HydrophobicContact CG-CZ 3.68Å; Y115-F127 PolarHBondContact N-O 3.03Å; Y115-F127 PolarHBondContact O-N 2.55Å; Y115-L129 HydrophobicContact CD2-CB 3.74Å; Y115-L129 HydrophobicContact CD2-CD2 4.44Å; Y115-L129 HydrophobicContact CE2-CB 3.75Å; Y115-L129 HydrophobicContact CE2-CD2 3.86Å; Y115-L129 HydrophobicContact CE2-CG 4.46Å
116T98.4Very high94.7Very high36 Ų3642.9 Ų42.922%0.22122%0.217CC..EExtended strand (participates in β ladder)trans-102.5121.6162.1-53.10000108.3E62 K124 E126E62-T116 PolarHBondContact N-O 3.35Å; E62-T116 PolarHBondContact O-N 3.2Å; T116-K124 HydrophobicContact CG2-CB 4.16Å; T116-K124 HydrophobicContact CG2-CD 4.14Å; T116-K124 HydrophobicContact CG2-CG 4.14Å; T116-E126 VanDerWaalsContact CB-OE1 3.3Å; T116-E126 WeakPolarHBondContact CB-OE1 3.37Å; T116-E126 VanDerWaalsContact CG2-OE1 3.27Å; T116-E126 WeakPolarHBondContact CG2-OE1 3.48Å; T116-E126 PolarHBondContact OG1-OE1 3.2Å; T116-E126 PolarHBondContact OG1-OE2 2.95Å
117L98Very high94.7Very high1 Ų143.2 Ų43.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-97.7115.8167.7177.166.2000108.9I41 C59 I60 A61 F77 I104 L119 K124 I125 F127I41-L117 HydrophobicContact CD1-CD2 3.64Å; C59-L117 HydrophobicContact CB-CD1 4.33Å; I60-L117 CarbonylContact O-C 3.58Å; I60-L117 WeakPolarHBondContact O-CA 3.41Å; A61-L117 HydrophobicContact CB-CD1 4.33Å; F77-L117 HydrophobicContact CZ-CD1 4.04Å; I104-L117 HydrophobicContact CD1-CD2 3.45Å; I104-L117 VanDerWaalsContact CD1-CD2 3.45Å; L117-L119 HydrophobicContact CD1-CD2 4.17Å; L117-L119 HydrophobicContact CD2-CD2 3.9Å; L117-L119 HydrophobicContact CD2-CG 4.32Å; L117-L119 HydrophobicContact CG-CD2 3.88Å; L117-L119 HydrophobicContact CG-CG 4.22Å; L117-K124 CarbonylContact O-C 3.59Å; L117-K124 WeakPolarHBondContact O-CA 3.49Å; L117-I125 HydrophobicContact CB-CB 4.33Å; L117-I125 PolarHBondContact N-O 2.89Å; L117-I125 PolarHBondContact O-N 2.9Å; L117-F127 HydrophobicContact CB-CD1 4.27Å; L117-F127 HydrophobicContact CB-CE1 3.81Å
118T96.8Very high94.8Very high21 Ų2142.6 Ų42.613%0.12921%0.213CC..EExtended strand (participates in β ladder)trans-95.4122.1169.8-530000109.1C59 I60 E123C59-T118 CarbonylContact C-O 3.45Å; C59-T118 WeakPolarHBondContact CA-O 3.39Å; I60-T118 PolarHBondContact N-O 3.16Å; I60-T118 PolarHBondContact O-N 3.13Å; T118-E123 CarbonylContact C-O 3.52Å; T118-E123 VanDerWaalsContact CA-O 3.27Å; T118-E123 WeakPolarHBondContact CA-O 3.39Å
119L93Very high94.8Very high0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-103.5139.2173.4-58.8178000108.6I7 L43 L57 C59 L102 L117 Q121 E123 I125I7-L119 HydrophobicContact CD1-CB 4.08Å; L43-L119 HydrophobicContact CD1-CD1 4.39Å; L43-L119 HydrophobicContact CD2-CD1 3.61Å; L57-L119 HydrophobicContact CD1-CB 4.36Å; L57-L119 HydrophobicContact CD2-CD2 4.4Å; C59-L119 HydrophobicContact CB-CD2 4.29Å; L102-L119 HydrophobicContact CD2-CD2 4.11Å; L117-L119 HydrophobicContact CD1-CD2 4.17Å; L117-L119 HydrophobicContact CD2-CD2 3.9Å; L117-L119 HydrophobicContact CD2-CG 4.32Å; L117-L119 HydrophobicContact CG-CD2 3.88Å; L117-L119 HydrophobicContact CG-CG 4.22Å; L119-Q121 PolarHBondContact O-N 3.03Å; L119-E123 HydrophobicContact CB-CB 4.19Å; L119-E123 PolarHBondContact N-O 2.95Å; L119-E123 PolarHBondContact O-N 2.8Å; L119-I125 HydrophobicContact CD1-CD1 3.7Å; L119-I125 HydrophobicContact CG-CD1 4.5Å
120G86.8Confident94.8Very high29 Ų2935.2 Ų35.230%0.29918%0.18SC..THydrogen-bonded Turntrans60.4-128.817400000113.2D58D58-G120 PolarHBondContact O-N 2.79Å
121Q76.4Confident94.8Very high180 Ų18035 Ų3584%0.84118%0.179SC*.THydrogen-bonded Turntrans-92.1-26.6-176-67.7-168.93.300113.4L119 E123L119-Q121 PolarHBondContact O-N 3.03Å; Q121-E123 PolarHBondContact N-OE2 2.96Å
122S78.3Confident94.8Very high81 Ų8135 Ų3557%0.56618%0.179SC*.THydrogen-bonded Turntrans-159.5-3.9-172.663.50000117.5K124S122-K124 PolarHBondContact O-N 2.9Å
123E88.1Confident94.8Very high30 Ų3035 Ų3514%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-78116-171.4-65.968.8-156.700110.2I7 W10 T118 L119 Q121I7-E123 HydrophobicContact CB-CG 4.07Å; I7-E123 HydrophobicContact CD1-CG 4.36Å; I7-E123 HydrophobicContact CG2-CG 4.16Å; W10-E123 HydrophobicContact CE3-CB 4.17Å; W10-E123 HydrophobicContact CE3-CG 4.11Å; W10-E123 HydrophobicContact CH2-CB 4.31Å; W10-E123 HydrophobicContact CH2-CG 4.49Å; W10-E123 HydrophobicContact CZ3-CB 3.85Å; W10-E123 HydrophobicContact CZ3-CG 3.69Å; T118-E123 CarbonylContact C-O 3.52Å; T118-E123 VanDerWaalsContact CA-O 3.27Å; T118-E123 WeakPolarHBondContact CA-O 3.39Å; L119-E123 HydrophobicContact CB-CB 4.19Å; L119-E123 PolarHBondContact N-O 2.95Å; L119-E123 PolarHBondContact O-N 2.8Å; Q121-E123 PolarHBondContact N-OE2 2.96Å
124K94.4Very high94.9Very high133 Ų13336.3 Ų36.358%0.57818%0.184SC*.EExtended strand (participates in β ladder)trans-110.7129.7-174.8-67.4-177.4-179.2-174.50112.1T116 L117 S122T116-K124 HydrophobicContact CG2-CB 4.16Å; T116-K124 HydrophobicContact CG2-CD 4.14Å; T116-K124 HydrophobicContact CG2-CG 4.14Å; L117-K124 CarbonylContact O-C 3.59Å; L117-K124 WeakPolarHBondContact O-CA 3.49Å; S122-K124 PolarHBondContact O-N 2.9Å
125I96.1Very high94.8Very high5 Ų532.8 Ų32.83%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-123.6122.6177.9-53.6-179000108.3W10 P12 I41 L117 L119W10-I125 HydrophobicContact CB-CD1 4.34Å; W10-I125 HydrophobicContact CD2-CD1 4.49Å; W10-I125 HydrophobicContact CD2-CG1 4.46Å; W10-I125 HydrophobicContact CG-CD1 3.87Å; W10-I125 HydrophobicContact CG-CG1 4.24Å; P12-I125 HydrophobicContact CB-CG2 4.46Å; P12-I125 HydrophobicContact CG-CG2 4.16Å; I41-I125 HydrophobicContact CD1-CD1 3.74Å; I41-I125 HydrophobicContact CG2-CD1 3.87Å; L117-I125 HydrophobicContact CB-CB 4.33Å; L117-I125 PolarHBondContact N-O 2.89Å; L117-I125 PolarHBondContact O-N 2.9Å; L119-I125 HydrophobicContact CD1-CD1 3.7Å; L119-I125 HydrophobicContact CG-CD1 4.5Å
126E97.7Very high94.8Very high113 Ų11337.4 Ų37.453%0.52820%0.202SC..EExtended strand (participates in β ladder)trans-90137.1174.9-64.4-64.6135.100110.3Y115 T116Y115-E126 WeakPolarHBondContact O-CA 3.37Å; T116-E126 VanDerWaalsContact CB-OE1 3.3Å; T116-E126 WeakPolarHBondContact CB-OE1 3.37Å; T116-E126 VanDerWaalsContact CG2-OE1 3.27Å; T116-E126 WeakPolarHBondContact CG2-OE1 3.48Å; T116-E126 PolarHBondContact OG1-OE1 3.2Å; T116-E126 PolarHBondContact OG1-OE2 2.95Å
127F98.7Very high94.8Very high7 Ų738.7 Ų38.73%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-151.1164.3174.469-77.7000111.5L31 V33 W88 Y115 L117 L129L31-F127 HydrophobicContact CB-CB 3.89Å; L31-F127 HydrophobicContact CD2-CB 3.82Å; L31-F127 HydrophobicContact CD2-CG 4.44Å; L31-F127 HydrophobicContact CG-CB 3.85Å; L31-F127 WeakPolarHBondContact O-CA 3.43Å; L31-F127 WeakPolarHBondContact O-CB 3.44Å; V33-F127 HydrophobicContact CG2-CD2 3.73Å; V33-F127 HydrophobicContact CG2-CE2 4.19Å; W88-F127 HydrophobicContact CH2-CE2 4.37Å; W88-F127 AromaticContact CH2-CZ 3.89Å; W88-F127 HydrophobicContact CH2-CZ 3.89Å; W88-F127 HydrophobicContact CZ3-CZ 4.36Å; Y115-F127 HydrophobicContact CD1-CZ 4.04Å; Y115-F127 HydrophobicContact CD2-CE2 4.34Å; Y115-F127 HydrophobicContact CD2-CZ 4.39Å; Y115-F127 HydrophobicContact CG-CE1 4.16Å; Y115-F127 HydrophobicContact CG-CE2 4.06Å; Y115-F127 AromaticContact CG-CZ 3.68Å; Y115-F127 HydrophobicContact CG-CZ 3.68Å; Y115-F127 PolarHBondContact N-O 3.03Å; Y115-F127 PolarHBondContact O-N 2.55Å; L117-F127 HydrophobicContact CB-CD1 4.27Å; L117-F127 HydrophobicContact CB-CE1 3.81Å; F127-L129 HydrophobicContact CE2-CB 4.13Å; F127-L129 HydrophobicContact CE2-CD1 4.33Å
128I98.9Very high94.8Very high9 Ų939 Ų395%0.04622%0.218CC..EExtended strand (participates in β ladder)trans-109.2131.5174.1-61.3173000108.8L31 I32 V33 G113 R114 L130 L182 L186L31-I128 PolarHBondContact O-N 2.93Å; I32-I128 HydrophobicContact CG1-CB 4.36Å; I32-I128 HydrophobicContact CG1-CD1 4.45Å; I32-I128 HydrophobicContact CG2-CB 4.27Å; I32-I128 HydrophobicContact CG2-CG2 4.42Å; V33-I128 PolarHBondContact N-O 2.82Å; G113-I128 WeakPolarHBondContact O-CA 3.12Å; R114-I128 HydrophobicContact CG-CG1 4.31Å; I128-L130 HydrophobicContact CG2-CD2 3.65Å; I128-L130 HydrophobicContact CG2-CG 4.23Å; I128-L182 HydrophobicContact CD1-CD2 4Å; I128-L182 HydrophobicContact CD1-CG 4.47Å; I128-L182 HydrophobicContact CG2-CD2 4.31Å; I128-L186 HydrophobicContact CD1-CD1 4.11Å; I128-L186 HydrophobicContact CG1-CD1 4.39Å; I128-L186 HydrophobicContact CG2-CD1 4.02Å
129L98.9Very high94.9Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-109.2122.1175.4-165.465.5000110V33 R35 W88 A110 I112 G113 Y115 F127V33-L129 HydrophobicContact CG2-CD1 3.79Å; V33-L129 CarbonylContact O-C 3.55Å; V33-L129 WeakPolarHBondContact O-CA 3.39Å; R35-L129 HydrophobicContact CB-CD1 4.09Å; R35-L129 HydrophobicContact CB-CD2 4.08Å; R35-L129 HydrophobicContact CB-CG 4.01Å; W88-L129 HydrophobicContact CH2-CD2 4.31Å; W88-L129 HydrophobicContact CZ2-CD2 4.16Å; A110-L129 HydrophobicContact CB-CD2 3.69Å; I112-L129 CarbonylContact C-O 3.58Å; I112-L129 VanDerWaalsContact CA-O 3.25Å; I112-L129 WeakPolarHBondContact CA-O 3.38Å; I112-L129 VanDerWaalsContact CB-O 3.29Å; I112-L129 WeakPolarHBondContact CB-O 3.47Å; G113-L129 PolarHBondContact N-O 2.92Å; G113-L129 PolarHBondContact O-N 3.35Å; Y115-L129 HydrophobicContact CD2-CB 3.74Å; Y115-L129 HydrophobicContact CD2-CD2 4.44Å; Y115-L129 HydrophobicContact CE2-CB 3.75Å; Y115-L129 HydrophobicContact CE2-CD2 3.86Å; Y115-L129 HydrophobicContact CE2-CG 4.46Å; F127-L129 HydrophobicContact CE2-CB 4.13Å; F127-L129 HydrophobicContact CE2-CD1 4.33Å
130L98.9Very high95.2Very high1 Ų139.1 Ų39.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-109.4168.9-179.7-54.8-179.1000112.1T23 I32 V33 R34 R35 I128 L182T23-L130 HydrophobicContact CG2-CD1 4.19Å; I32-L130 HydrophobicContact CG2-CD1 3.8Å; I32-L130 HydrophobicContact CG2-CG 4.19Å; V33-L130 PolarHBondContact O-N 2.81Å; R34-L130 HydrophobicContact CG-CB 4.41Å; R35-L130 PolarHBondContact N-O 2.81Å; I128-L130 HydrophobicContact CG2-CD2 3.65Å; I128-L130 HydrophobicContact CG2-CG 4.23Å; L130-L182 HydrophobicContact CD2-CD1 3.93Å
131F98.9Very high95.8Very high0 Ų041.8 Ų41.80%022%0.223CC..  trans-62.3149.3166.9-73.5-76.2000110.5R34 R35 I112 P133 V140 P209 V212 L283 I285R34-F131 PolarHBondContact NH1-O 2.85Å; R34-F131 VanDerWaalsContact NH1-O 3.12Å; R35-F131 VanDerWaalsContact CZ-CE1 3.42Å; R35-F131 VanDerWaalsContact NH2-CE1 3.3Å; I112-F131 HydrophobicContact CB-CE2 4.4Å; I112-F131 HydrophobicContact CD1-CD2 3.79Å; I112-F131 HydrophobicContact CD1-CE2 3.44Å; I112-F131 VanDerWaalsContact CD1-CE2 3.44Å; I112-F131 HydrophobicContact CD1-CZ 4.37Å; I112-F131 HydrophobicContact CG1-CD2 4.27Å; I112-F131 HydrophobicContact CG1-CE2 3.75Å; I112-F131 HydrophobicContact CG1-CZ 4.22Å; I112-F131 HydrophobicContact CG2-CD1 4.11Å; I112-F131 HydrophobicContact CG2-CD2 3.69Å; I112-F131 HydrophobicContact CG2-CE1 4.19Å; I112-F131 HydrophobicContact CG2-CE2 3.8Å; I112-F131 HydrophobicContact CG2-CG 3.84Å; I112-F131 HydrophobicContact CG2-CZ 4.04Å; F131-P133 WeakPolarHBondContact O-CD 3.49Å; F131-V140 HydrophobicContact CB-CG2 3.78Å; F131-V140 HydrophobicContact CD1-CG1 4.23Å; F131-V140 HydrophobicContact CD1-CG2 4.35Å; F131-V140 HydrophobicContact CG-CG2 4.41Å; F131-P209 HydrophobicContact CE1-CB 4.01Å; F131-P209 HydrophobicContact CE1-CG 4.4Å; F131-P209 HydrophobicContact CZ-CB 4.12Å; F131-V212 HydrophobicContact CE2-CB 4.34Å; F131-V212 HydrophobicContact CE2-CG1 4.36Å; F131-V212 HydrophobicContact CE2-CG2 4.04Å; F131-V212 HydrophobicContact CZ-CB 4.48Å; F131-V212 HydrophobicContact CZ-CG2 3.98Å; F131-L283 WeakPolarHBondContact CB-O 3.34Å; F131-L283 WeakPolarHBondContact CD2-O 3.14Å; F131-L283 PolarHBondContact N-O 2.85Å; F131-I285 HydrophobicContact CB-CG1 4.49Å; F131-I285 HydrophobicContact CD2-CD1 3.95Å; F131-I285 HydrophobicContact CD2-CG1 3.5Å; F131-I285 HydrophobicContact CE2-CD1 3.77Å; F131-I285 HydrophobicContact CE2-CG1 3.87Å; F131-I285 HydrophobicContact CG-CG1 4.04Å; F131-I285 HydrophobicContact CZ-CD1 4.48Å
132N98.9Very high96.8Very high1 Ų133.4 Ų33.41%0.00518%0.184CC..  trans-121.190.4-175.7-162.1-10.4000113R34 R35 Q37 W134 C135 D138R34-N132 HydrophobicContact CB-CB 3.62Å; R34-N132 VanDerWaalsContact CB-CG 3.47Å; R35-N132 HydrophobicContact CG-CB 4.29Å; R35-N132 WeakPolarHBondContact O-CB 3.26Å; R35-N132 PolarHBondContact O-ND2 2.92Å; Q37-N132 WeakPolarHBondContact CB-ND2 3.38Å; Q37-N132 PolarHBondContact OE1-ND2 3.45Å; N132-W134 PolarHBondContact O-N 2.8Å; N132-W134 PolarHBondContact OD1-N 2.73Å; N132-W134 VanDerWaalsContact OD1-N 3.14Å; N132-C135 HydrophobicContact CB-CB 3.81Å; N132-C135 PolarHBondContact O-N 2.8Å; N132-C135 VanDerWaalsContact O-N 3.15Å; N132-C135 PolarHBondContact OD1-N 3.12Å; N132-D138 WeakPolarHBondContact CA-OD2 3.37Å; N132-D138 HydrophobicContact CB-CB 4.48Å; N132-D138 WeakPolarHBondContact CB-OD2 3.43Å; N132-D138 PolarHBondContact N-OD2 2.76Å; N132-D138 WeakPolarHBondContact O-CB 3.4Å
133P98.8Very high97.7Very high0 Ų035.4 Ų35.40%019%0.188CC..THydrogen-bonded Turntrans-75.9-3.4179.734.6-36.9000113.2F131 V140 Y141 M142 L148 V152 G284 P286F131-P133 WeakPolarHBondContact O-CD 3.49Å; P133-V140 WeakPolarHBondContact CA-O 3.43Å; P133-V140 HydrophobicContact CB-CG2 4.02Å; P133-V140 VanDerWaalsContact CB-O 3.25Å; P133-V140 WeakPolarHBondContact CB-O 3.45Å; P133-Y141 WeakPolarHBondContact O-CA 3.35Å; P133-Y141 WeakPolarHBondContact O-CD2 3.46Å; P133-M142 PolarHBondContact O-N 3.39Å; P133-L148 HydrophobicContact CB-CD2 3.54Å; P133-L148 HydrophobicContact CG-CD2 3.78Å; P133-V152 HydrophobicContact CB-CG2 4.49Å; P133-V152 HydrophobicContact CG-CG1 4.44Å; P133-V152 HydrophobicContact CG-CG2 3.85Å; P133-G284 WeakPolarHBondContact CD-O 3.49Å; P133-P286 HydrophobicContact CB-CG 3.6Å; P133-P286 HydrophobicContact CG-CG 4.28Å
134W98.8Very high98.1Very high28 Ų2836.9 Ų36.911%0.10620%0.197CC..THydrogen-bonded Turntrans-92.4-9169.7-67.4-91.2000113.6R22 N132 P136 E145 L148 V152 L153R22-W134 HydrophobicContact CB-CH2 4.34Å; R22-W134 HydrophobicContact CB-CZ2 4.5Å; R22-W134 VanDerWaalsContact CD-CD2 3.5Å; R22-W134 VanDerWaalsContact CD-CZ2 3.47Å; R22-W134 VanDerWaalsContact NE-NE1 3.17Å; N132-W134 PolarHBondContact O-N 2.8Å; N132-W134 PolarHBondContact OD1-N 2.73Å; N132-W134 VanDerWaalsContact OD1-N 3.14Å; W134-P136 WeakPolarHBondContact O-CD 3.47Å; W134-E145 VanDerWaalsContact CD1-OE1 3.28Å; W134-E145 PolarHBondContact NE1-OE1 3.36Å; W134-E145 PolarHBondContact NE1-OE2 2.83Å; W134-L148 VanDerWaalsContact CD1-CD1 3.45Å; W134-L148 HydrophobicContact CD2-CD1 4.05Å; W134-L148 HydrophobicContact CG-CD1 3.95Å; W134-L148 HydrophobicContact CZ2-CB 3.8Å; W134-L148 HydrophobicContact CZ2-CD1 4.23Å; W134-L148 HydrophobicContact CZ2-CD2 4.42Å; W134-L148 HydrophobicContact CZ2-CG 4.39Å; W134-V152 HydrophobicContact CH2-CB 4.2Å; W134-V152 HydrophobicContact CH2-CG1 3.9Å; W134-V152 HydrophobicContact CZ3-CG1 4.21Å; W134-L153 HydrophobicContact CH2-CD1 4.29Å; W134-L153 HydrophobicContact CH2-CD2 3.92Å; W134-L153 HydrophobicContact CH2-CG 4.05Å; W134-L153 HydrophobicContact CZ2-CD1 4.01Å; W134-L153 HydrophobicContact CZ2-CD2 4.47Å; W134-L153 HydrophobicContact CZ2-CG 4.2Å
135C98.5Very high98.3Very high12 Ų1235.6 Ų35.68%0.08119%0.193CC..  trans-93.8115.6-179.3178.50000110.3G36 N132 A137 D138 Y141G36-C135 PolarHBondContact O-SG 3.38Å; N132-C135 HydrophobicContact CB-CB 3.81Å; N132-C135 PolarHBondContact O-N 2.8Å; N132-C135 VanDerWaalsContact O-N 3.15Å; N132-C135 PolarHBondContact OD1-N 3.12Å; C135-A137 PolarHBondContact O-N 3.01Å; C135-D138 HydrophobicContact CB-CB 4.03Å; C135-D138 WeakPolarHBondContact O-CB 3.35Å; C135-D138 PolarHBondContact O-N 2.85Å; C135-Y141 VanDerWaalsContact C-CD2 3.45Å; C135-Y141 WeakPolarHBondContact O-CB 3.4Å; C135-Y141 WeakPolarHBondContact O-CD2 3.22Å
136P97.9Very high98.3Very high99 Ų9942 Ų4264%0.64322%0.223SC*.THydrogen-bonded Turntrans-58.3-21.2-179.1-27.135.9000115.5W134 Y141W134-P136 WeakPolarHBondContact O-CD 3.47Å; P136-Y141 VanDerWaalsContact CA-CD2 3.5Å; P136-Y141 HydrophobicContact CB-CD2 4.38Å; P136-Y141 HydrophobicContact CB-CE1 4.42Å; P136-Y141 HydrophobicContact CB-CE2 4.24Å; P136-Y141 HydrophobicContact CG-CD2 4.29Å; P136-Y141 HydrophobicContact CG-CE2 3.82Å
137A98.1Very high98.4Very high63 Ų6338.8 Ų38.852%0.52121%0.209SC..THydrogen-bonded Turntrans-89.2-6.7177.900000113.6P108 C135P108-A137 HydrophobicContact CB-CB 3.92Å; P108-A137 HydrophobicContact CG-CB 3.71Å; C135-A137 PolarHBondContact O-N 3.01Å
138D98.8Very high98.4Very high6 Ų638.5 Ų38.53%0.03221%0.208CC..SBendtrans-81.9142.5176.5-162.5-41.5000110.7R35 N132 C135 V140 Y141R35-D138 VanDerWaalsContact CG-OD2 3.25Å; R35-D138 WeakPolarHBondContact CG-OD2 3.5Å; R35-D138 IonicContact CZ-OD1 3.54Å; R35-D138 IonicContact CZ-OD2 3.66Å; R35-D138 IonicContact NE-OD1 3.51Å; R35-D138 PolarHBondContact NE-OD1 3.45Å; R35-D138 IonicContact NE-OD2 3.21Å; R35-D138 PolarHBondContact NE-OD2 3.27Å; R35-D138 IonicContact NH2-OD1 2.73Å; R35-D138 PolarHBondContact NH2-OD1 2.93Å; R35-D138 IonicContact NH2-OD2 3.67Å; N132-D138 WeakPolarHBondContact CA-OD2 3.37Å; N132-D138 HydrophobicContact CB-CB 4.48Å; N132-D138 WeakPolarHBondContact CB-OD2 3.43Å; N132-D138 PolarHBondContact N-OD2 2.76Å; N132-D138 WeakPolarHBondContact O-CB 3.4Å; C135-D138 HydrophobicContact CB-CB 4.03Å; C135-D138 WeakPolarHBondContact O-CB 3.35Å; C135-D138 PolarHBondContact O-N 2.85Å; D138-V140 PolarHBondContact O-N 2.9Å; D138-V140 VanDerWaalsContact O-N 3.17Å; D138-V140 WeakPolarHBondContact OD1-CG2 3.49Å; D138-V140 PolarHBondContact OD1-N 3.49Å; D138-Y141 WeakPolarHBondContact O-CB 3.46Å; D138-Y141 PolarHBondContact O-N 2.98Å; D138-Y141 VanDerWaalsContact O-N 3.14Å
139A98.6Very high98.3Very high24 Ų2440.4 Ų40.420%0.19823%0.225CC..THydrogen-bonded Turntrans-61.9-18.5175.800000113.9P209 M333 T334A139-P209 HydrophobicContact CB-CG 3.83Å; A139-M333 CarbonylContact O-C 3.27Å; A139-M333 VanDerWaalsContact O-CA 3.23Å; A139-M333 WeakPolarHBondContact O-CA 3.26Å; A139-T334 WeakPolarHBondContact CA-OG1 3.47Å; A139-T334 WeakPolarHBondContact CB-OG1 3.3Å; A139-T334 PolarHBondContact O-N 2.78Å
140V98.8Very high98.3Very high0 Ų040.9 Ų40.90%023%0.228CC..THydrogen-bonded Turntrans-10313.9177-57.80000113.7F131 P133 D138 M142 P209 I285 M333F131-V140 HydrophobicContact CB-CG2 3.78Å; F131-V140 HydrophobicContact CD1-CG1 4.23Å; F131-V140 HydrophobicContact CD1-CG2 4.35Å; F131-V140 HydrophobicContact CG-CG2 4.41Å; P133-V140 WeakPolarHBondContact CA-O 3.43Å; P133-V140 HydrophobicContact CB-CG2 4.02Å; P133-V140 VanDerWaalsContact CB-O 3.25Å; P133-V140 WeakPolarHBondContact CB-O 3.45Å; D138-V140 PolarHBondContact O-N 2.9Å; D138-V140 VanDerWaalsContact O-N 3.17Å; D138-V140 WeakPolarHBondContact OD1-CG2 3.49Å; D138-V140 PolarHBondContact OD1-N 3.49Å; V140-M142 PolarHBondContact O-N 2.62Å; V140-P209 HydrophobicContact CG1-CB 3.66Å; V140-P209 HydrophobicContact CG1-CG 3.91Å; V140-I285 HydrophobicContact CG1-CG1 4.37Å; V140-I285 HydrophobicContact CG1-CG2 4.36Å; V140-M333 HydrophobicContact CG1-CB 4.28Å
141Y98.8Very high98.3Very high86 Ų8641.2 Ų41.234%0.33723%0.229SC..  trans-55.3134-179.5176.5-114.9000112.6P133 C135 P136 D138 D143 W332P133-Y141 WeakPolarHBondContact O-CA 3.35Å; P133-Y141 WeakPolarHBondContact O-CD2 3.46Å; C135-Y141 VanDerWaalsContact C-CD2 3.45Å; C135-Y141 WeakPolarHBondContact O-CB 3.4Å; C135-Y141 WeakPolarHBondContact O-CD2 3.22Å; P136-Y141 VanDerWaalsContact CA-CD2 3.5Å; P136-Y141 HydrophobicContact CB-CD2 4.38Å; P136-Y141 HydrophobicContact CB-CE1 4.42Å; P136-Y141 HydrophobicContact CB-CE2 4.24Å; P136-Y141 HydrophobicContact CG-CD2 4.29Å; P136-Y141 HydrophobicContact CG-CE2 3.82Å; D138-Y141 WeakPolarHBondContact O-CB 3.46Å; D138-Y141 PolarHBondContact O-N 2.98Å; D138-Y141 VanDerWaalsContact O-N 3.14Å; Y141-D143 HydrophobicContact CE1-CB 4.07Å; Y141-W332 PolarHBondContact O-NE1 2.89Å
142M98Very high98.3Very high4 Ų441.2 Ų41.22%0.0223%0.229CC..  trans-132.6129.8172.1-175.9176.4-74.300108.3P133 V140 N147 L148 Y151 P286 W332 W345P133-M142 PolarHBondContact O-N 3.39Å; V140-M142 PolarHBondContact O-N 2.62Å; M142-N147 HydrophobicContact CG-CB 4.19Å; M142-N147 HydrophobicContact SD-CB 3.27Å; M142-N147 WeakPolarHBondContact SD-CB 3.12Å; M142-L148 HydrophobicContact CB-CD2 3.84Å; M142-L148 HydrophobicContact CB-CG 4.25Å; M142-L148 HydrophobicContact CG-CD2 4.46Å; M142-L148 HydrophobicContact CG-CG 4.49Å; M142-L148 WeakPolarHBondContact O-CD1 3.5Å; M142-L148 HydrophobicContact SD-CD2 4.39Å; M142-Y151 HydrophobicContact CE-CD2 4.13Å; M142-Y151 HydrophobicContact SD-CD2 3.99Å; M142-P286 HydrophobicContact CE-CB 3.8Å; M142-P286 HydrophobicContact CE-CG 4.25Å; M142-P286 HydrophobicContact SD-CB 4.47Å; M142-W332 HydrophobicContact CE-CB 3.59Å; M142-W332 HydrophobicContact CE-CD2 3.56Å; M142-W332 HydrophobicContact CE-CE3 4.03Å; M142-W332 HydrophobicContact CE-CG 3.34Å; M142-W345 HydrophobicContact CE-CH2 4.13Å; M142-W345 HydrophobicContact CE-CZ2 4.12Å
143D96.4Very high98.2Very high123 Ų12343.3 Ų43.366%0.65824%0.24SC*.SBendtrans-78.6-26.8-172.362.4-16.1000113.7Y141Y141-D143 HydrophobicContact CE1-CB 4.07Å
144N97.9Very high98.1Very high61 Ų6144.6 Ų44.633%0.32625%0.249SC..  trans-90.7114-174.2-174.2-60.7000112.3Q146 N147 L148N144-Q146 VanDerWaalsContact C-N 3.32Å; N144-Q146 PolarHBondContact O-N 2.76Å; N144-Q146 WeakPolarHBondContact OD1-CA 3.47Å; N144-Q146 VanDerWaalsContact OD1-CB 3.29Å; N144-Q146 WeakPolarHBondContact OD1-CB 3.32Å; N144-Q146 PolarHBondContact OD1-N 2.84Å; N144-N147 HydrophobicContact CB-CB 4.04Å; N144-N147 WeakPolarHBondContact O-CB 3.46Å; N144-N147 PolarHBondContact O-N 2.86Å; N144-N147 VanDerWaalsContact O-N 3.15Å; N144-N147 PolarHBondContact OD1-N 2.86Å; N144-L148 PolarHBondContact O-N 3.44Å
145E97.3Very high98Very high105 Ų10543.8 Ų43.849%0.49125%0.246SC..Hα-helixtrans-62.8-30.7179.3-71.9-70.9175.400114.2R22 W134 L148 A149R22-E145 IonicContact NH2-OE1 3.94Å; W134-E145 VanDerWaalsContact CD1-OE1 3.28Å; W134-E145 PolarHBondContact NE1-OE1 3.36Å; W134-E145 PolarHBondContact NE1-OE2 2.83Å; E145-L148 PolarHBondContact O-N 3.15Å; E145-A149 WeakPolarHBondContact O-CB 3.28Å; E145-A149 PolarHBondContact O-N 3.05Å
146Q97.8Very high97.7Very high141 Ų14144 Ų4466%0.65925%0.246SC*.Hα-helixtrans-69.1-39.4175.5-61.3179.4-17.800110.8N144 L148 A149 E150 V421N144-Q146 VanDerWaalsContact C-N 3.32Å; N144-Q146 PolarHBondContact O-N 2.76Å; N144-Q146 WeakPolarHBondContact OD1-CA 3.47Å; N144-Q146 VanDerWaalsContact OD1-CB 3.29Å; N144-Q146 WeakPolarHBondContact OD1-CB 3.32Å; N144-Q146 PolarHBondContact OD1-N 2.84Å; Q146-L148 VanDerWaalsContact C-N 3.35Å; Q146-A149 WeakPolarHBondContact O-CB 3.3Å; Q146-A149 PolarHBondContact O-N 2.82Å; Q146-E150 PolarHBondContact O-N 3.03Å; Q146-V421 HydrophobicContact CB-CG1 3.87Å; Q146-V421 WeakPolarHBondContact O-CG1 3.34Å
147N98.3Very high97.6Very high44 Ų4439.3 Ų39.324%0.23522%0.216CC..Hα-helixtrans-64.8-40.2173.8-66.3-7.7000111M142 N144 A149 E150 Y151 V421M142-N147 HydrophobicContact CG-CB 4.19Å; M142-N147 HydrophobicContact SD-CB 3.27Å; M142-N147 WeakPolarHBondContact SD-CB 3.12Å; N144-N147 HydrophobicContact CB-CB 4.04Å; N144-N147 WeakPolarHBondContact O-CB 3.46Å; N144-N147 PolarHBondContact O-N 2.86Å; N144-N147 VanDerWaalsContact O-N 3.15Å; N144-N147 PolarHBondContact OD1-N 2.86Å; N147-A149 VanDerWaalsContact C-N 3.35Å; N147-E150 PolarHBondContact O-N 3Å; N147-Y151 HydrophobicContact CB-CD2 3.75Å; N147-Y151 HydrophobicContact CB-CE2 3.76Å; N147-Y151 VanDerWaalsContact O-CB 3.29Å; N147-Y151 WeakPolarHBondContact O-CB 3.38Å; N147-Y151 WeakPolarHBondContact O-CD2 3.42Å; N147-Y151 PolarHBondContact O-N 3.26Å; N147-V421 WeakPolarHBondContact OD1-CG2 3.17Å
148L98.5Very high97.6Very high1 Ų136.6 Ų36.61%0.00519%0.193CC..Hα-helixtrans-63.3-40.6174.3-70171.8000112.1P133 W134 M142 N144 E145 Q146 E150 V152 L153P133-L148 HydrophobicContact CB-CD2 3.54Å; P133-L148 HydrophobicContact CG-CD2 3.78Å; W134-L148 VanDerWaalsContact CD1-CD1 3.45Å; W134-L148 HydrophobicContact CD2-CD1 4.05Å; W134-L148 HydrophobicContact CG-CD1 3.95Å; W134-L148 HydrophobicContact CZ2-CB 3.8Å; W134-L148 HydrophobicContact CZ2-CD1 4.23Å; W134-L148 HydrophobicContact CZ2-CD2 4.42Å; W134-L148 HydrophobicContact CZ2-CG 4.39Å; M142-L148 HydrophobicContact CB-CD2 3.84Å; M142-L148 HydrophobicContact CB-CG 4.25Å; M142-L148 HydrophobicContact CG-CD2 4.46Å; M142-L148 HydrophobicContact CG-CG 4.49Å; M142-L148 WeakPolarHBondContact O-CD1 3.5Å; M142-L148 HydrophobicContact SD-CD2 4.39Å; N144-L148 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.15Å; Q146-L148 VanDerWaalsContact C-N 3.35Å; L148-E150 VanDerWaalsContact C-N 3.32Å; L148-E150 PolarHBondContact O-N 2.73Å; L148-V152 HydrophobicContact CD2-CG2 4.08Å; L148-V152 WeakPolarHBondContact O-CB 3.22Å; L148-V152 PolarHBondContact O-N 3.16Å; L148-L153 PolarHBondContact O-N 2.75Å
149A97.6Very high97.5Very high49 Ų4936.4 Ų36.441%0.40519%0.192SC..Iπ-helixtrans-60.1-41.6173.900000111.8E145 Q146 N147 L153 S154E145-A149 WeakPolarHBondContact O-CB 3.28Å; E145-A149 PolarHBondContact O-N 3.05Å; Q146-A149 WeakPolarHBondContact O-CB 3.3Å; Q146-A149 PolarHBondContact O-N 2.82Å; N147-A149 VanDerWaalsContact C-N 3.35Å; A149-L153 CarbonylContact O-C 3.57Å; A149-L153 PolarHBondContact O-N 3.48Å; A149-S154 WeakPolarHBondContact O-CB 3.29Å; A149-S154 PolarHBondContact O-N 2.86Å
150E98.4Very high97.5Very high11 Ų1135.6 Ų35.65%0.05118%0.184CC..Iπ-helixtrans-75.9-48.4179-178.567.6-146.200113.3Q146 N147 L148 S154 R281 K419 V421 G422Q146-E150 PolarHBondContact O-N 3.03Å; N147-E150 PolarHBondContact O-N 3Å; L148-E150 VanDerWaalsContact C-N 3.32Å; L148-E150 PolarHBondContact O-N 2.73Å; E150-S154 WeakPolarHBondContact O-CB 3.35Å; E150-R281 PolarHBondContact O-NH1 3.3Å; E150-R281 VanDerWaalsContact O-NH1 3.08Å; E150-R281 PolarHBondContact O-NH2 2.74Å; E150-R281 VanDerWaalsContact O-NH2 3.17Å; E150-K419 IonicContact OE1-NZ 3.7Å; E150-K419 PolarHBondContact OE1-NZ 3.01Å; E150-K419 IonicContact OE2-NZ 2.74Å; E150-K419 PolarHBondContact OE2-NZ 3.11Å; E150-V421 HydrophobicContact CB-CB 4.39Å; E150-V421 HydrophobicContact CB-CG1 4.04Å; E150-V421 HydrophobicContact CB-CG2 4.31Å; E150-V421 HydrophobicContact CG-CG2 4.32Å; E150-G422 PolarHBondContact OE2-N 2.91Å
151Y98.8Very high97.3Very high7 Ų737 Ų373%0.02719%0.189CC..Iπ-helixtrans-93.7-7.4-165.6-56.7-44.8000114.1M142 N147 R281 P286 C287 R288 W345 V421M142-Y151 HydrophobicContact CE-CD2 4.13Å; M142-Y151 HydrophobicContact SD-CD2 3.99Å; N147-Y151 HydrophobicContact CB-CD2 3.75Å; N147-Y151 HydrophobicContact CB-CE2 3.76Å; N147-Y151 VanDerWaalsContact O-CB 3.29Å; N147-Y151 WeakPolarHBondContact O-CB 3.38Å; N147-Y151 WeakPolarHBondContact O-CD2 3.42Å; N147-Y151 PolarHBondContact O-N 3.26Å; Y151-R281 VanDerWaalsContact O-CG 3.31Å; Y151-R281 WeakPolarHBondContact O-CG 3.34Å; Y151-R281 PolarHBondContact O-NE 2.87Å; Y151-P286 WeakPolarHBondContact O-CA 3.26Å; Y151-C287 PolarHBondContact O-N 2.78Å; Y151-R288 HydrophobicContact CD1-CB 3.96Å; Y151-R288 HydrophobicContact CE1-CB 3.95Å; Y151-R288 HydrophobicContact CE1-CG 4.45Å; Y151-R288 PolarHBondContact OH-NH1 3.09Å; Y151-W345 HydrophobicContact CD1-CH2 4.3Å; Y151-W345 AromaticContact CD2-CH2 3.73Å; Y151-W345 HydrophobicContact CD2-CH2 3.73Å; Y151-W345 AromaticContact CD2-CZ2 3.81Å; Y151-W345 HydrophobicContact CD2-CZ2 3.81Å; Y151-W345 HydrophobicContact CE1-CH2 4.49Å; Y151-W345 AromaticContact CE2-CH2 3.97Å; Y151-W345 HydrophobicContact CE2-CH2 3.97Å; Y151-W345 AromaticContact CE2-CZ2 3.59Å; Y151-W345 HydrophobicContact CE2-CZ2 3.59Å; Y151-W345 AromaticContact CG-CH2 3.91Å; Y151-W345 HydrophobicContact CG-CH2 3.91Å; Y151-W345 HydrophobicContact CG-CZ2 4.4Å; Y151-W345 AromaticContact CZ-CZ2 3.98Å; Y151-V421 HydrophobicContact CE1-CG2 4.26Å; Y151-V421 HydrophobicContact CE2-CG2 3.87Å; Y151-V421 WeakPolarHBondContact OH-CG2 3.43Å
152V98.7Very high97Very high0 Ų033.2 Ų33.20%018%0.176CC..Iπ-helixtrans-125.3-51.9176.4-173.60000110.8P133 W134 L148 Q176 P286P133-V152 HydrophobicContact CB-CG2 4.49Å; P133-V152 HydrophobicContact CG-CG1 4.44Å; P133-V152 HydrophobicContact CG-CG2 3.85Å; W134-V152 HydrophobicContact CH2-CB 4.2Å; W134-V152 HydrophobicContact CH2-CG1 3.9Å; W134-V152 HydrophobicContact CZ3-CG1 4.21Å; L148-V152 HydrophobicContact CD2-CG2 4.08Å; L148-V152 WeakPolarHBondContact O-CB 3.22Å; L148-V152 PolarHBondContact O-N 3.16Å; V152-Q176 PolarHBondContact O-NE2 3.25Å; V152-P286 HydrophobicContact CG2-CB 3.87Å; V152-P286 HydrophobicContact CG2-CG 3.8Å
153L97.8Very high96.8Very high46 Ų4633.2 Ų33.224%0.24118%0.177CC..Iπ-helixtrans-89.4-28.2-169.2-58.5179.7000114.3W134 L148 A149 Q155 F177W134-L153 HydrophobicContact CH2-CD1 4.29Å; W134-L153 HydrophobicContact CH2-CD2 3.92Å; W134-L153 HydrophobicContact CH2-CG 4.05Å; W134-L153 HydrophobicContact CZ2-CD1 4.01Å; W134-L153 HydrophobicContact CZ2-CD2 4.47Å; W134-L153 HydrophobicContact CZ2-CG 4.2Å; L148-L153 PolarHBondContact O-N 2.75Å; A149-L153 CarbonylContact O-C 3.57Å; A149-L153 PolarHBondContact O-N 3.48Å; L153-Q155 PolarHBondContact O-N 2.87Å; L153-F177 HydrophobicContact CD2-CE2 4.31Å; L153-F177 HydrophobicContact CD2-CZ 4.09Å; L153-F177 WeakPolarHBondContact O-CE2 3.44Å
154S96.9Very high96.6Very high27 Ų2728.1 Ų28.119%0.18915%0.151CC..  trans-66.5124.3179.7-1730000110.6A149 E150 D156 Q176 R281A149-S154 WeakPolarHBondContact O-CB 3.29Å; A149-S154 PolarHBondContact O-N 2.86Å; E150-S154 WeakPolarHBondContact O-CB 3.35Å; S154-D156 PolarHBondContact OG-N 3.09Å; S154-D156 PolarHBondContact OG-O 3.19Å; S154-Q176 PolarHBondContact O-NE2 2.82Å; S154-R281 PolarHBondContact O-NH1 2.98Å
155Q96.4Very high96.3Very high10 Ų1032.1 Ų32.15%0.04717%0.165CC..  trans-93.5-11175.7-61.4-168.787.400112.6L153 N173 F174 G175 F177 A618 N619L153-Q155 PolarHBondContact O-N 2.87Å; Q155-N173 PolarHBondContact O-OD1 3.04Å; Q155-F174 WeakPolarHBondContact O-CB 3.48Å; Q155-F174 PolarHBondContact O-N 2.96Å; Q155-G175 PolarHBondContact O-N 2.88Å; Q155-F177 HydrophobicContact CG-CD2 3.72Å; Q155-F177 HydrophobicContact CG-CE2 4.24Å; Q155-A618 HydrophobicContact CB-CB 3.54Å; Q155-A618 HydrophobicContact CG-CB 4.29Å; Q155-N619 PolarHBondContact NE2-ND2 3.49Å
156D92.4Very high96.1Very high16 Ų1630.5 Ų30.59%0.08616%0.158CC..EExtended strand (participates in β ladder)trans-103140.6179.6-57.2-49000110S154 K655S154-D156 PolarHBondContact OG-N 3.09Å; S154-D156 PolarHBondContact OG-O 3.19Å; D156-K655 HydrophobicContact CB-CB 3.67Å; D156-K655 HydrophobicContact CB-CD 4.3Å; D156-K655 WeakPolarHBondContact OD2-CB 3.27Å; D156-K655 PolarHBondContact OD2-N 3.3Å
157G95.1Very high96Very high1 Ų125.6 Ų25.61%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-138.5168.2-177.600000113.7W172G157-W172 PolarHBondContact N-O 2.92Å; G157-W172 PolarHBondContact O-N 2.64Å
158I97.6Very high95.8Very high6 Ų625.9 Ų25.93%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-131.7127.3167.7-66.1179.9000107.2F160 P169 T170 K419 D424I158-F160 HydrophobicContact CB-CZ 4.47Å; I158-F160 HydrophobicContact CG2-CD1 4.29Å; I158-F160 HydrophobicContact CG2-CD2 4.5Å; I158-F160 HydrophobicContact CG2-CE1 3.86Å; I158-F160 HydrophobicContact CG2-CE2 4.04Å; I158-F160 HydrophobicContact CG2-CZ 3.71Å; I158-P169 HydrophobicContact CG2-CB 3.62Å; I158-T170 CarbonylContact C-O 3.55Å; I158-T170 WeakPolarHBondContact CA-O 3.38Å; I158-K419 HydrophobicContact CB-CB 4.42Å; I158-K419 HydrophobicContact CB-CD 4.15Å; I158-K419 HydrophobicContact CB-CG 4.37Å; I158-K419 HydrophobicContact CG1-CD 4.26Å; I158-D424 HydrophobicContact CD1-CB 3.45Å; I158-D424 VanDerWaalsContact CD1-CB 3.45Å; I158-D424 VanDerWaalsContact CD1-O 3.32Å; I158-D424 WeakPolarHBondContact CD1-O 3.4Å
159I98.3Very high95.7Very high2 Ų228.7 Ų28.71%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-105.1127.2170.9-52.4174.3000107.1R161 T170 W172 W270 A274 V289I159-R161 HydrophobicContact CG2-CG 4.43Å; I159-T170 PolarHBondContact N-O 2.79Å; I159-T170 WeakPolarHBondContact O-CA 3.09Å; I159-T170 VanDerWaalsContact O-CB 3.3Å; I159-T170 WeakPolarHBondContact O-CB 3.08Å; I159-T170 PolarHBondContact O-N 2.93Å; I159-W172 HydrophobicContact CD1-CB 3.98Å; I159-W172 HydrophobicContact CD1-CD2 3.85Å; I159-W172 HydrophobicContact CD1-CE3 3.81Å; I159-W172 HydrophobicContact CD1-CG 3.94Å; I159-W172 HydrophobicContact CG1-CB 4.16Å; I159-W270 HydrophobicContact CD1-CB 4.35Å; I159-W270 HydrophobicContact CG2-CB 3.99Å; I159-A274 HydrophobicContact CD1-CB 3.77Å; I159-V289 HydrophobicContact CG1-CG1 4.31Å; I159-V289 HydrophobicContact CG2-CG1 4.23Å
160F97.8Very high95.6Very high7 Ų727 Ų273%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-84.9130.6178.7-63.4-79.8000109.4I158 I167 P169 T291 Y293 T418 K419 R426I158-F160 HydrophobicContact CB-CZ 4.47Å; I158-F160 HydrophobicContact CG2-CD1 4.29Å; I158-F160 HydrophobicContact CG2-CD2 4.5Å; I158-F160 HydrophobicContact CG2-CE1 3.86Å; I158-F160 HydrophobicContact CG2-CE2 4.04Å; I158-F160 HydrophobicContact CG2-CZ 3.71Å; F160-I167 HydrophobicContact CB-CG2 3.88Å; F160-I167 HydrophobicContact CD1-CG2 3.54Å; F160-I167 HydrophobicContact CG-CG2 4.1Å; F160-P169 HydrophobicContact CD1-CB 4.34Å; F160-P169 HydrophobicContact CE1-CB 4.07Å; F160-T291 WeakPolarHBondContact O-CG2 3.28Å; F160-T291 PolarHBondContact O-OG1 2.94Å; F160-Y293 WeakPolarHBondContact CB-OH 3.36Å; F160-T418 VanDerWaalsContact CE2-C 3.41Å; F160-T418 WeakPolarHBondContact CE2-O 3.45Å; F160-K419 HydrophobicContact CE2-CB 4.34Å; F160-R426 HydrophobicContact CD1-CB 4.27Å; F160-R426 HydrophobicContact CD1-CG 4.1Å; F160-R426 HydrophobicContact CD2-CG 4.35Å; F160-R426 HydrophobicContact CE1-CB 3.58Å; F160-R426 HydrophobicContact CE1-CG 3.87Å; F160-R426 HydrophobicContact CE2-CB 4.32Å; F160-R426 HydrophobicContact CE2-CG 4.17Å; F160-R426 HydrophobicContact CG-CG 4.33Å; F160-R426 VanDerWaalsContact CZ-CA 3.41Å; F160-R426 HydrophobicContact CZ-CB 3.62Å; F160-R426 HydrophobicContact CZ-CG 3.92Å
161R94.7Very high95.5Very high29 Ų2926.6 Ų26.611%0.10914%0.138CC..EExtended strand (participates in β ladder)trans-132.3-166.3179.6-66-17955.7-141.8-10.7109.1I159 I168 Y293 Y325 D549I159-R161 HydrophobicContact CG2-CG 4.43Å; R161-I168 PolarHBondContact N-O 2.66Å; R161-I168 PolarHBondContact O-N 2.92Å; R161-Y293 PolarHBondContact O-OH 3.39Å; R161-Y325 HydrophobicContact CB-CE1 4.21Å; R161-Y325 HydrophobicContact CB-CE2 4.41Å; R161-Y325 HydrophobicContact CG-CE2 3.94Å; R161-Y325 PolarHBondContact NE-OH 2.8Å; R161-D549 IonicContact NH2-OD1 2.8Å; R161-D549 PolarHBondContact NH2-OD1 3.47Å
162G93.4Very high95.4Very high7 Ų726.4 Ų26.47%0.07214%0.137CC..EExtended strand (participates in β ladder)trans82.5-137.9-177.500000110.6N324 Y325G162-N324 PolarHBondContact O-ND2 3.06Å; G162-Y325 VanDerWaalsContact O-CD1 3.29Å; G162-Y325 WeakPolarHBondContact O-CD1 3.45Å
163S92.9Very high95.3Very high4 Ų426.4 Ų26.43%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-128.2165.3-178.376.80000111.9K165 H166 I167 Y293S163-K165 PolarHBondContact O-N 3.15Å; S163-H166 PolarHBondContact N-O 3.31Å; S163-H166 CarbonylContact O-C 3.56Å; S163-H166 PolarHBondContact O-N 3.42Å; S163-H166 VanDerWaalsContact O-O 3.13Å; S163-H166 PolarHBondContact OG-N 2.8Å; S163-I167 VanDerWaalsContact O-CG1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.5Å; S163-I167 PolarHBondContact O-N 2.87Å; S163-Y293 VanDerWaalsContact C-CD1 3.44Å
164S91.8Very high95.4Very high16 Ų1624.5 Ų24.511%0.11213%0.127CC..THydrogen-bonded Turntrans-58.7-20.4178.661.70000114Y293S164-Y293 VanDerWaalsContact N-CD1 3.34Å
165K91.5Very high95.3Very high146 Ų14623.2 Ų23.264%0.63512%0.118SC*.THydrogen-bonded Turntrans-98.2-12.5176.9-59.7-58.6-176.1-169.90113.6S163S163-K165 PolarHBondContact O-N 3.15Å
166H93.5Very high95.4Very high71 Ų7122.7 Ų22.733%0.32912%0.116SC..EExtended strand (participates in β ladder)trans-151.787.1179-165.677.1000109.7S163 I168 V574 D576S163-H166 PolarHBondContact N-O 3.31Å; S163-H166 CarbonylContact O-C 3.56Å; S163-H166 PolarHBondContact O-N 3.42Å; S163-H166 VanDerWaalsContact O-O 3.13Å; S163-H166 PolarHBondContact OG-N 2.8Å; H166-I168 WeakPolarHBondContact NE2-CD1 3.5Å; H166-V574 HydrophobicContact CB-CB 4.44Å; H166-V574 HydrophobicContact CB-CG2 4.34Å; H166-D576 IonicContact CD2-OD1 3.26Å; H166-D576 IonicContact CE1-OD1 3.36Å; H166-D576 IonicContact CE1-OD2 2.69Å; H166-D576 IonicContact NE2-OD1 2.79Å; H166-D576 PolarHBondContact NE2-OD1 2.95Å; H166-D576 IonicContact NE2-OD2 3.17Å; H166-D576 PolarHBondContact NE2-OD2 2.74Å
167I95.3Very high95.6Very high38 Ų3822.4 Ų22.420%0.19511%0.114CC..EExtended strand (participates in β ladder)trans-85.8125.7-173.9-65.7177.7000109.4F160 S163 Y293 M415F160-I167 HydrophobicContact CB-CG2 3.88Å; F160-I167 HydrophobicContact CD1-CG2 3.54Å; F160-I167 HydrophobicContact CG-CG2 4.1Å; S163-I167 VanDerWaalsContact O-CG1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.5Å; S163-I167 PolarHBondContact O-N 2.87Å; I167-Y293 HydrophobicContact CD1-CE2 3.93Å; I167-Y293 HydrophobicContact CG1-CE1 4.3Å; I167-Y293 HydrophobicContact CG1-CE2 4.12Å; I167-Y293 WeakPolarHBondContact CG2-OH 3.42Å; I167-M415 HydrophobicContact CD1-CB 4.27Å; I167-M415 HydrophobicContact CD1-CE 4.34Å
168I94.3Very high95.6Very high49 Ų4923.1 Ų23.125%0.25112%0.116SC..EExtended strand (participates in β ladder)trans-103.5114.9179.9-58.5-59.7000109.8R161 H166 T170 V574R161-I168 PolarHBondContact N-O 2.66Å; R161-I168 PolarHBondContact O-N 2.92Å; H166-I168 WeakPolarHBondContact NE2-CD1 3.5Å; I168-T170 PolarHBondContact O-N 2.92Å; I168-V574 HydrophobicContact CD1-CG1 4.48Å; I168-V574 HydrophobicContact CG1-CG1 4.02Å
169P95.9Very high95.4Very high61 Ų6127.5 Ų27.540%0.39615%0.148SC..EExtended strand (participates in β ladder)trans-72.8120.1171.429.7-31.9000109.9I158 F160I158-P169 HydrophobicContact CG2-CB 3.62Å; F160-P169 HydrophobicContact CD1-CB 4.34Å; F160-P169 HydrophobicContact CE1-CB 4.07Å
170T95.6Very high95.3Very high12 Ų1228.9 Ų28.97%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-110.4117.4178.6-53.90000109.5I158 I159 I168 K669I158-T170 CarbonylContact C-O 3.55Å; I158-T170 WeakPolarHBondContact CA-O 3.38Å; I159-T170 PolarHBondContact N-O 2.79Å; I159-T170 WeakPolarHBondContact O-CA 3.09Å; I159-T170 VanDerWaalsContact O-CB 3.3Å; I159-T170 WeakPolarHBondContact O-CB 3.08Å; I159-T170 PolarHBondContact O-N 2.93Å; I168-T170 PolarHBondContact O-N 2.92Å; T170-K669 HydrophobicContact CG2-CB 4.49Å; T170-K669 HydrophobicContact CG2-CG 4.1Å
171P96.4Very high95.3Very high3 Ų328.5 Ų28.52%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-67146.6179.730-36.7000111.5K655 V657 K669 Y671P171-K655 HydrophobicContact CB-CD 4.16Å; P171-V657 HydrophobicContact CB-CG1 4.23Å; P171-V657 HydrophobicContact CB-CG2 4.15Å; P171-V657 HydrophobicContact CG-CG1 4Å; P171-K669 HydrophobicContact CG-CB 4.41Å; P171-Y671 HydrophobicContact CB-CD1 3.81Å; P171-Y671 HydrophobicContact CB-CG 3.99Å; P171-Y671 HydrophobicContact CG-CD1 3.9Å; P171-Y671 HydrophobicContact CG-CG 4.32Å
172W97.6Very high95.5Very high3 Ų327.6 Ų27.61%0.01116%0.158CC..EExtended strand (participates in β ladder)trans-140.9135.9176-165.5-89.4000111.7G157 I159 F174 W246 R247 S249 I252 V271 A274G157-W172 PolarHBondContact N-O 2.92Å; G157-W172 PolarHBondContact O-N 2.64Å; I159-W172 HydrophobicContact CD1-CB 3.98Å; I159-W172 HydrophobicContact CD1-CD2 3.85Å; I159-W172 HydrophobicContact CD1-CE3 3.81Å; I159-W172 HydrophobicContact CD1-CG 3.94Å; I159-W172 HydrophobicContact CG1-CB 4.16Å; W172-F174 AromaticContact CD1-CD1 3.58Å; W172-F174 AromaticContact CD1-CE1 3.82Å; W172-W246 HydrophobicContact CH2-CB 3.48Å; W172-W246 VanDerWaalsContact CH2-CB 3.48Å; W172-W246 HydrophobicContact CH2-CG 4.5Å; W172-W246 HydrophobicContact CZ2-CB 4.44Å; W172-W246 HydrophobicContact CZ3-CB 3.92Å; W172-R247 CarbonylContact C-O 3.51Å; W172-R247 WeakPolarHBondContact CA-O 3.37Å; W172-S249 PolarHBondContact NE1-OG 2.85Å; W172-I252 HydrophobicContact CZ2-CD1 4.31Å; W172-V271 HydrophobicContact CH2-CG1 4.18Å; W172-V271 HydrophobicContact CH2-CG2 4.37Å; W172-A274 HydrophobicContact CD2-CB 3.9Å; W172-A274 HydrophobicContact CG-CB 4.14Å; W172-A274 HydrophobicContact CH2-CB 4.49Å; W172-A274 HydrophobicContact CZ2-CB 3.73Å
173N97.2Very high95.7Very high1 Ų129.2 Ų29.21%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-92.6102170.1-179.830.2000110.3Q155 G175 R247 G248 S249 E616 A618Q155-N173 PolarHBondContact O-OD1 3.04Å; N173-G175 PolarHBondContact OD1-N 3.34Å; N173-R247 PolarHBondContact N-O 3.17Å; N173-G248 CarbonylContact O-C 3.56Å; N173-G248 WeakPolarHBondContact O-CA 3.29Å; N173-S249 PolarHBondContact O-N 3.08Å; N173-E616 PolarHBondContact ND2-OE1 3.38Å; N173-A618 WeakPolarHBondContact OD1-CB 3.41Å
174F98.1Very high96Very high5 Ų529.3 Ų29.32%0.02217%0.165CC..  trans-68.2-42.5173.2-63.7-59.4000111Q155 W172 Q176 A274 C277 S278 V289Q155-F174 WeakPolarHBondContact O-CB 3.48Å; Q155-F174 PolarHBondContact O-N 2.96Å; W172-F174 AromaticContact CD1-CD1 3.58Å; W172-F174 AromaticContact CD1-CE1 3.82Å; F174-Q176 PolarHBondContact O-N 2.75Å; F174-Q176 VanDerWaalsContact O-N 3.16Å; F174-A274 HydrophobicContact CE1-CB 4.09Å; F174-C277 HydrophobicContact CD1-CB 4.39Å; F174-C277 HydrophobicContact CE1-CB 3.93Å; F174-C277 HydrophobicContact CZ-CB 4.47Å; F174-S278 WeakPolarHBondContact CD1-OG 3.25Å; F174-S278 PolarHBondContact O-OG 3.31Å; F174-V289 HydrophobicContact CE1-CG2 3.88Å; F174-V289 HydrophobicContact CZ-CG2 3.87Å
175G96.5Very high96.3Very high0 Ų028.6 Ų28.60%016%0.16CC..  trans54.734171.600000114.8Q155 N173 F177 E178Q155-G175 PolarHBondContact O-N 2.88Å; N173-G175 PolarHBondContact OD1-N 3.34Å; G175-F177 PolarHBondContact O-N 2.9Å; G175-E178 WeakPolarHBondContact O-CB 3.5Å; G175-E178 PolarHBondContact O-N 2.85Å
176Q97.9Very high96.6Very high0 Ų021.7 Ų21.70%013%0.13CC..THydrogen-bonded Turntrans-62.1-17.1-173.765.6-88.221.500114.6V152 S154 F174 S278 R281 A282V152-Q176 PolarHBondContact O-NE2 3.25Å; S154-Q176 PolarHBondContact O-NE2 2.82Å; F174-Q176 PolarHBondContact O-N 2.75Å; F174-Q176 VanDerWaalsContact O-N 3.16Å; Q176-S278 WeakPolarHBondContact CB-O 3.44Å; Q176-R281 HydrophobicContact CB-CB 4.35Å; Q176-R281 HydrophobicContact CG-CB 3.94Å; Q176-A282 HydrophobicContact CB-CB 3.96Å
177F96.7Very high96.9Very high10 Ų1023.2 Ų23.24%0.04413%0.133CC..THydrogen-bonded Turntrans-106.63.9177.6-48.9-50000113.1L25 N26 L153 Q155 G175L25-F177 HydrophobicContact CB-CB 3.89Å; L25-F177 HydrophobicContact CB-CD2 3.53Å; L25-F177 HydrophobicContact CB-CE2 4.17Å; L25-F177 HydrophobicContact CB-CG 3.74Å; L25-F177 HydrophobicContact CD1-CD2 3.56Å; L25-F177 HydrophobicContact CD1-CE2 3.59Å; L25-F177 HydrophobicContact CG-CD2 4.2Å; L25-F177 WeakPolarHBondContact O-CB 3.47Å; N26-F177 WeakPolarHBondContact ND2-CD1 3.08Å; N26-F177 WeakPolarHBondContact OD1-CD1 3.41Å; L153-F177 HydrophobicContact CD2-CE2 4.31Å; L153-F177 HydrophobicContact CD2-CZ 4.09Å; L153-F177 WeakPolarHBondContact O-CE2 3.44Å; Q155-F177 HydrophobicContact CG-CD2 3.72Å; Q155-F177 HydrophobicContact CG-CE2 4.24Å; G175-F177 PolarHBondContact O-N 2.9Å
178E95.3Very high97Very high15 Ų1521.4 Ų21.47%0.0712%0.124CC..SBendtrans-61.1147.2171.8-72.9-66.316200110.7G175 G180 I181 V250 A618 N619 G623G175-E178 WeakPolarHBondContact O-CB 3.5Å; G175-E178 PolarHBondContact O-N 2.85Å; E178-G180 PolarHBondContact O-N 3.38Å; E178-I181 HydrophobicContact CB-CG1 3.89Å; E178-I181 VanDerWaalsContact O-CB 3.31Å; E178-I181 WeakPolarHBondContact O-CB 3.3Å; E178-I181 WeakPolarHBondContact O-CG1 3.24Å; E178-I181 PolarHBondContact O-N 3.27Å; E178-V250 HydrophobicContact CB-CG1 4.16Å; E178-V250 HydrophobicContact CB-CG2 4.18Å; E178-V250 HydrophobicContact CG-CG1 4.42Å; E178-V250 HydrophobicContact CG-CG2 3.96Å; E178-A618 VanDerWaalsContact OE1-CA 3.24Å; E178-A618 WeakPolarHBondContact OE1-CA 3.5Å; E178-N619 PolarHBondContact OE1-N 2.95Å; E178-N619 VanDerWaalsContact OE1-N 3.11Å; E178-G623 WeakPolarHBondContact OE2-CA 3.37Å; E178-G623 PolarHBondContact OE2-N 2.8Å; E178-G623 VanDerWaalsContact OE2-N 3.15Å
179S93.3Very high97.2Very high98 Ų9819.1 Ų19.169%0.68511%0.112SC*.THydrogen-bonded Turntrans-53.1129.2-173.1179.40000112I181 R254S179-I181 VanDerWaalsContact C-N 3.3Å; S179-I181 PolarHBondContact O-N 2.81Å; S179-R254 PolarHBondContact O-NH2 2.8Å
180G94.9Very high97.2Very high31 Ų3118 Ų1832%0.3210%0.103SC..THydrogen-bonded Turntrans82.8-13.9179.700000115.5E178 L182 D183 I184E178-G180 PolarHBondContact O-N 3.38Å; G180-L182 PolarHBondContact O-N 3.02Å; G180-D183 PolarHBondContact O-N 2.95Å; G180-I184 WeakPolarHBondContact O-CG1 3.47Å; G180-I184 PolarHBondContact O-N 2.97Å
181I97.9Very high97.3Very high0 Ų019.2 Ų19.20%011%0.108CC..Hα-helixtrans-64.1-44.7-174.3-65.3-58.1000112.1E178 S179 D183 I184 C185 V250 L253 R254E178-I181 HydrophobicContact CB-CG1 3.89Å; E178-I181 VanDerWaalsContact O-CB 3.31Å; E178-I181 WeakPolarHBondContact O-CB 3.3Å; E178-I181 WeakPolarHBondContact O-CG1 3.24Å; E178-I181 PolarHBondContact O-N 3.27Å; S179-I181 VanDerWaalsContact C-N 3.3Å; S179-I181 PolarHBondContact O-N 2.81Å; I181-D183 VanDerWaalsContact C-N 3.25Å; I181-D183 PolarHBondContact O-N 3.04Å; I181-I184 HydrophobicContact CD1-CD1 4.28Å; I181-I184 WeakPolarHBondContact O-CB 3.36Å; I181-I184 PolarHBondContact O-N 3.3Å; I181-I184 VanDerWaalsContact O-N 3.1Å; I181-C185 PolarHBondContact O-N 2.83Å; I181-C185 PolarHBondContact O-SG 3.11Å; I181-V250 HydrophobicContact CD1-CB 4.4Å; I181-V250 HydrophobicContact CD1-CG1 4.03Å; I181-V250 HydrophobicContact CG1-CG1 4.34Å; I181-L253 HydrophobicContact CD1-CB 3.99Å; I181-L253 HydrophobicContact CD1-CD1 4.32Å; I181-L253 HydrophobicContact CG2-CD1 3.97Å; I181-R254 HydrophobicContact CD1-CG 4.17Å
182L98.6Very high97.2Very high10 Ų1019.3 Ų19.35%0.05211%0.108CC..Hα-helixtrans-57.8-38.9176.4178.859.2000112.5I32 I128 L130 G180 I184 C185 L186 A282I32-L182 HydrophobicContact CD1-CD2 3.94Å; I32-L182 HydrophobicContact CG2-CD2 4.15Å; I128-L182 HydrophobicContact CD1-CD2 4Å; I128-L182 HydrophobicContact CD1-CG 4.47Å; I128-L182 HydrophobicContact CG2-CD2 4.31Å; L130-L182 HydrophobicContact CD2-CD1 3.93Å; G180-L182 PolarHBondContact O-N 3.02Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 3.13Å; L182-C185 WeakPolarHBondContact O-CB 3.37Å; L182-C185 PolarHBondContact O-N 2.86Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.86Å; L182-A282 HydrophobicContact CD1-CB 4.38Å
183D98.6Very high97Very high40 Ų4021.3 Ų21.321%0.21412%0.122CC..Hα-helixtrans-65.3-38.2178.8-74.6-51.8000112.1R30 R114 G180 I181 R187R30-D183 IonicContact CZ-OD2 3.75Å; R30-D183 IonicContact NH1-OD1 2.68Å; R30-D183 PolarHBondContact NH1-OD1 2.97Å; R30-D183 IonicContact NH1-OD2 3.37Å; R30-D183 PolarHBondContact NH1-OD2 3Å; R30-D183 IonicContact NH2-OD2 2.69Å; R114-D183 IonicContact CZ-OD1 2.72Å; R114-D183 IonicContact NE-OD1 3.54Å; R114-D183 PolarHBondContact NH2-O 2.59Å; R114-D183 IonicContact NH2-OD1 3.54Å; R114-D183 PolarHBondContact NH2-OD1 2.89Å; G180-D183 PolarHBondContact O-N 2.95Å; I181-D183 VanDerWaalsContact C-N 3.25Å; I181-D183 PolarHBondContact O-N 3.04Å; D183-R187 PolarHBondContact O-N 2.89Å
184I98.7Very high96.9Very high7 Ų725.3 Ų25.34%0.03614%0.139CC..Hα-helixtrans-67.1-43.8174.9-61.4168.8000110.2G180 I181 L182 L186 R187 I188 L253 R254 W256 D257G180-I184 WeakPolarHBondContact O-CG1 3.47Å; G180-I184 PolarHBondContact O-N 2.97Å; I181-I184 HydrophobicContact CD1-CD1 4.28Å; I181-I184 WeakPolarHBondContact O-CB 3.36Å; I181-I184 PolarHBondContact O-N 3.3Å; I181-I184 VanDerWaalsContact O-N 3.1Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 3.13Å; I184-L186 VanDerWaalsContact C-N 3.3Å; I184-L186 PolarHBondContact O-N 2.92Å; I184-R187 CarbonylContact O-C 3.58Å; I184-R187 WeakPolarHBondContact O-CA 3.21Å; I184-R187 WeakPolarHBondContact O-CB 3.33Å; I184-R187 PolarHBondContact O-N 3.41Å; I184-I188 HydrophobicContact CG2-CD1 4.48Å; I184-I188 WeakPolarHBondContact O-CG1 3.41Å; I184-I188 PolarHBondContact O-N 2.81Å; I184-L253 HydrophobicContact CG2-CB 4.14Å; I184-L253 HydrophobicContact CG2-CD2 4.22Å; I184-R254 HydrophobicContact CD1-CG 4.15Å; I184-W256 HydrophobicContact CG2-CE3 3.86Å; I184-W256 HydrophobicContact CG2-CZ3 4Å; I184-D257 HydrophobicContact CD1-CB 3.74Å; I184-D257 HydrophobicContact CG1-CB 3.69Å; I184-D257 HydrophobicContact CG2-CB 4.18Å
185C98.8Very high96.8Very high0 Ų025.6 Ų25.60%014%0.141CC..Hα-helixtrans-56.9-43.1175.8-660000112.2I181 L182 I188 L189 V279 A282 L283I181-C185 PolarHBondContact O-N 2.83Å; I181-C185 PolarHBondContact O-SG 3.11Å; L182-C185 WeakPolarHBondContact O-CB 3.37Å; L182-C185 PolarHBondContact O-N 2.86Å; C185-I188 PolarHBondContact O-N 3.35Å; C185-L189 PolarHBondContact O-N 2.93Å; C185-V279 HydrophobicContact CB-CG1 3.95Å; C185-A282 HydrophobicContact CB-CB 4.17Å; C185-A282 VanDerWaalsContact SG-CB 3.56Å; C185-L283 HydrophobicContact CB-CD2 4.21Å
186L98.7Very high96.7Very high1 Ų130.9 Ų30.91%0.00517%0.169CC..Hα-helixtrans-67.1-37174.5-67174.5000112R114 I128 L182 I184 I188 L189 D190 L283R114-L186 HydrophobicContact CG-CD1 3.97Å; I128-L186 HydrophobicContact CD1-CD1 4.11Å; I128-L186 HydrophobicContact CG1-CD1 4.39Å; I128-L186 HydrophobicContact CG2-CD1 4.02Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.86Å; I184-L186 VanDerWaalsContact C-N 3.3Å; I184-L186 PolarHBondContact O-N 2.92Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 3.3Å; L186-L189 WeakPolarHBondContact O-CB 3.1Å; L186-L189 PolarHBondContact O-N 3.35Å; L186-D190 PolarHBondContact O-N 2.85Å; L186-D190 VanDerWaalsContact O-N 3.1Å; L186-L283 HydrophobicContact CD2-CD2 3.82Å; L186-L283 HydrophobicContact CG-CD2 4.49Å
187R98Very high96.6Very high103 Ų10340.7 Ų40.739%0.38921%0.206SC..Hα-helixtrans-65.2-35.2175.6-173.5179.5-64.1-159.1-1.5112.5D183 I184 L189 D190 M191 W256 D257D183-R187 PolarHBondContact O-N 2.89Å; I184-R187 CarbonylContact O-C 3.58Å; I184-R187 WeakPolarHBondContact O-CA 3.21Å; I184-R187 WeakPolarHBondContact O-CB 3.33Å; I184-R187 PolarHBondContact O-N 3.41Å; R187-L189 VanDerWaalsContact C-N 3.25Å; R187-L189 PolarHBondContact O-N 2.73Å; R187-D190 PolarHBondContact O-N 2.77Å; R187-M191 HydrophobicContact CG-CG 4.07Å; R187-M191 WeakPolarHBondContact O-CB 3.47Å; R187-M191 VanDerWaalsContact O-CG 3.3Å; R187-M191 WeakPolarHBondContact O-CG 3.46Å; R187-M191 PolarHBondContact O-N 3.19Å; R187-W256 HydrophobicContact CB-CZ3 4.39Å; R187-W256 HydrophobicContact CG-CH2 4.2Å; R187-W256 HydrophobicContact CG-CZ3 4.17Å; R187-D257 WeakPolarHBondContact CD-OD1 3.45Å; R187-D257 IonicContact CZ-OD1 2.79Å; R187-D257 IonicContact NE-OD1 3.82Å; R187-D257 PolarHBondContact NE-OD1 3.46Å; R187-D257 VanDerWaalsContact NE-OD1 3.14Å; R187-D257 IonicContact NH1-OD1 2.82Å; R187-D257 PolarHBondContact NH1-OD1 2.7Å; R187-D257 IonicContact NH1-OD2 3.23Å; R187-D257 IonicContact NH2-OD1 2.77Å
188I98.3Very high96.5Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-56.6-43.4172.8-70168.3000110.2I184 C185 L186 D190 M191 N192 L216 M219 V228 L253 W256 V279I184-I188 HydrophobicContact CG2-CD1 4.48Å; I184-I188 WeakPolarHBondContact O-CG1 3.41Å; I184-I188 PolarHBondContact O-N 2.81Å; C185-I188 PolarHBondContact O-N 3.35Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 3.3Å; I188-D190 VanDerWaalsContact C-N 3.34Å; I188-D190 PolarHBondContact O-N 2.93Å; I188-M191 PolarHBondContact O-N 3.48Å; I188-N192 PolarHBondContact O-N 3.34Å; I188-L216 HydrophobicContact CG2-CD2 4.21Å; I188-M219 HydrophobicContact CG2-CB 3.7Å; I188-M219 HydrophobicContact CG2-CG 4.35Å; I188-V228 HydrophobicContact CD1-CG2 3.71Å; I188-V228 HydrophobicContact CG1-CG2 3.99Å; I188-L253 HydrophobicContact CD1-CD2 3.68Å; I188-W256 HydrophobicContact CB-CH2 4.43Å; I188-W256 HydrophobicContact CG1-CE3 4.24Å; I188-W256 HydrophobicContact CG1-CH2 3.71Å; I188-W256 HydrophobicContact CG1-CZ2 4.37Å; I188-W256 HydrophobicContact CG1-CZ3 3.65Å; I188-V279 HydrophobicContact CD1-CG2 3.88Å
189L98.2Very high96.5Very high2 Ų243.7 Ų43.71%0.0123%0.225CC..Hα-helixtrans-64.7-37.6174-57.4-180000111.7I112 C185 L186 R187 M191 N192 R206 V212 V215 L216 L283I112-L189 HydrophobicContact CD1-CD1 4.22Å; C185-L189 PolarHBondContact O-N 2.93Å; L186-L189 WeakPolarHBondContact O-CB 3.1Å; L186-L189 PolarHBondContact O-N 3.35Å; R187-L189 VanDerWaalsContact C-N 3.25Å; R187-L189 PolarHBondContact O-N 2.73Å; L189-M191 VanDerWaalsContact C-N 3.34Å; L189-M191 PolarHBondContact O-N 2.85Å; L189-N192 PolarHBondContact O-ND2 2.84Å; L189-R206 PolarHBondContact O-NH2 3.39Å; L189-R206 VanDerWaalsContact O-NH2 3.16Å; L189-V212 HydrophobicContact CD2-CG1 4.24Å; L189-V215 HydrophobicContact CD2-CG1 3.99Å; L189-L216 HydrophobicContact CD2-CD2 3.94Å; L189-L283 HydrophobicContact CD1-CD1 4.01Å; L189-L283 HydrophobicContact CD1-CD2 4.42Å; L189-L283 HydrophobicContact CG-CD1 4.47Å
190D97Very high96.6Very high38 Ų3839.1 Ų39.120%0.20319%0.193CC..Hα-helixtrans-69.5-31.2178.7-65.1-30.4000113.6L186 R187 I188 N192 C195 Y203 R206L186-D190 PolarHBondContact O-N 2.85Å; L186-D190 VanDerWaalsContact O-N 3.1Å; R187-D190 PolarHBondContact O-N 2.77Å; I188-D190 VanDerWaalsContact C-N 3.34Å; I188-D190 PolarHBondContact O-N 2.93Å; D190-N192 VanDerWaalsContact C-N 3.31Å; D190-C195 WeakPolarHBondContact O-CB 3.33Å; D190-C195 PolarHBondContact O-SG 2.69Å; D190-Y203 WeakPolarHBondContact OD1-CE2 3.42Å; D190-Y203 VanDerWaalsContact OD1-CZ 3.28Å; D190-Y203 PolarHBondContact OD1-OH 3.01Å; D190-R206 IonicContact OD1-CZ 2.7Å; D190-R206 VanDerWaalsContact OD1-CZ 3.26Å; D190-R206 IonicContact OD1-NH1 3.08Å; D190-R206 PolarHBondContact OD1-NH1 2.95Å; D190-R206 IonicContact OD1-NH2 4Å; D190-R206 PolarHBondContact OD1-NH2 3.05Å
191M95.9Very high96.7Very high37 Ų3744.5 Ų44.518%0.18221%0.207CC..Hα-helixtrans-83.4-6-177.9-67.7-55.7-60.800113.8R187 I188 L189 M219 K226 W256 C261R187-M191 HydrophobicContact CG-CG 4.07Å; R187-M191 WeakPolarHBondContact O-CB 3.47Å; R187-M191 VanDerWaalsContact O-CG 3.3Å; R187-M191 WeakPolarHBondContact O-CG 3.46Å; R187-M191 PolarHBondContact O-N 3.19Å; I188-M191 PolarHBondContact O-N 3.48Å; L189-M191 VanDerWaalsContact C-N 3.34Å; L189-M191 PolarHBondContact O-N 2.85Å; M191-M219 HydrophobicContact CB-CE 3.99Å; M191-K226 HydrophobicContact CE-CB 4.48Å; M191-K226 HydrophobicContact CE-CD 3.49Å; M191-K226 VanDerWaalsContact CE-CD 3.49Å; M191-W256 HydrophobicContact CB-CH2 4.23Å; M191-W256 HydrophobicContact CB-CZ2 4.29Å; M191-W256 HydrophobicContact CG-CH2 3.94Å; M191-W256 HydrophobicContact CG-CZ2 4.26Å; M191-C261 HydrophobicContact CE-CB 4.31Å
192N94.8Very high96.7Very high4 Ų444.6 Ų44.62%0.02121%0.208CC..SBendtrans-69.5146.5-176.79676.3000112.7I188 L189 D190 K194 C195 L196 D202 V215 M219I188-N192 PolarHBondContact O-N 3.34Å; L189-N192 PolarHBondContact O-ND2 2.84Å; D190-N192 VanDerWaalsContact C-N 3.31Å; N192-K194 PolarHBondContact O-N 2.9Å; N192-K194 VanDerWaalsContact O-N 3.07Å; N192-K194 WeakPolarHBondContact OD1-CA 3.4Å; N192-K194 WeakPolarHBondContact OD1-CB 3.34Å; N192-K194 PolarHBondContact OD1-N 3.14Å; N192-C195 WeakPolarHBondContact ND2-CB 3.37Å; N192-C195 WeakPolarHBondContact O-CB 3.4Å; N192-C195 PolarHBondContact O-N 3.21Å; N192-C195 PolarHBondContact OD1-N 3.32Å; N192-L196 PolarHBondContact O-N 3.41Å; N192-D202 PolarHBondContact ND2-OD1 3.16Å; N192-V215 HydrophobicContact CB-CG1 3.68Å; N192-M219 WeakPolarHBondContact CA-SD 3.33Å; N192-M219 HydrophobicContact CB-CE 4.41Å; N192-M219 HydrophobicContact CB-CG 3.52Å; N192-M219 HydrophobicContact CB-SD 3.67Å
193P94.2Very high96.7Very high45 Ų4545.2 Ų45.229%0.29221%0.21SC..Hα-helixtrans-58.5-25.8-176-27.734.7000115.6R197 D225P193-R197 VanDerWaalsContact O-CB 3.31Å; P193-R197 WeakPolarHBondContact O-CB 3.19Å; P193-R197 PolarHBondContact O-N 2.92Å; P193-D225 WeakPolarHBondContact CD-OD2 3.41Å; P193-D225 HydrophobicContact CG-CB 3.61Å; P193-D225 WeakPolarHBondContact CG-OD2 3.32Å
194K94.4Very high96.7Very high86 Ų8644.4 Ų44.437%0.37421%0.207SC..Hα-helixtrans-72.8-41.2176.5-54.9175.5-176.41680110.3N192 R197 N198 Y211 V215N192-K194 PolarHBondContact O-N 2.9Å; N192-K194 VanDerWaalsContact O-N 3.07Å; N192-K194 WeakPolarHBondContact OD1-CA 3.4Å; N192-K194 WeakPolarHBondContact OD1-CB 3.34Å; N192-K194 PolarHBondContact OD1-N 3.14Å; K194-R197 PolarHBondContact O-N 3.44Å; K194-N198 PolarHBondContact O-N 3.25Å; K194-Y211 WeakPolarHBondContact CB-OH 3.49Å; K194-Y211 HydrophobicContact CD-CE2 3.9Å; K194-Y211 WeakPolarHBondContact CD-OH 3.45Å; K194-V215 HydrophobicContact CD-CG2 4.33Å
195C96.1Very high96.7Very high10 Ų1044.9 Ų44.97%0.06821%0.214CC..Hα-helixtrans-62.9-50.5173.5-174.50000111.8D190 N192 R197 N198 P199 D202D190-C195 WeakPolarHBondContact O-CB 3.33Å; D190-C195 PolarHBondContact O-SG 2.69Å; N192-C195 WeakPolarHBondContact ND2-CB 3.37Å; N192-C195 WeakPolarHBondContact O-CB 3.4Å; N192-C195 PolarHBondContact O-N 3.21Å; N192-C195 PolarHBondContact OD1-N 3.32Å; C195-R197 PolarHBondContact O-N 2.79Å; C195-R197 VanDerWaalsContact O-N 3.12Å; C195-N198 CarbonylContact O-C 3.58Å; C195-N198 PolarHBondContact O-N 2.69Å; C195-P199 WeakPolarHBondContact O-CA 3.46Å; C195-P199 WeakPolarHBondContact O-CD 3.47Å; C195-P199 VanDerWaalsContact O-N 3.11Å; C195-D202 HydrophobicContact CB-CB 3.92Å; C195-D202 VanDerWaalsContact CB-CG 3.48Å; C195-D202 PolarHBondContact N-OD1 2.94Å
196L94.4Very high96.7Very high112 Ų11245 Ų4559%0.58622%0.215SC*.Hα-helixtrans-59.3-29.1-179.4-62.3-178.8000112.8N192N192-L196 PolarHBondContact O-N 3.41Å
197R95.2Very high96.7Very high205 Ų20549 Ų4977%0.77423%0.229SC*.Hα-helixtrans-85.4-44.1179.2-168.1-171.1-41.5-1542113.3P193 K194 C195P193-R197 VanDerWaalsContact O-CB 3.31Å; P193-R197 WeakPolarHBondContact O-CB 3.19Å; P193-R197 PolarHBondContact O-N 2.92Å; K194-R197 PolarHBondContact O-N 3.44Å; C195-R197 PolarHBondContact O-N 2.79Å; C195-R197 VanDerWaalsContact O-N 3.12Å
198N95.7Very high96.7Very high62 Ų6246.9 Ų46.933%0.33223%0.226SC..  trans-148.489.7179.8-173.4-30000109.8K194 C195 G200 K201 D202K194-N198 PolarHBondContact O-N 3.25Å; C195-N198 CarbonylContact O-C 3.58Å; C195-N198 PolarHBondContact O-N 2.69Å; N198-G200 VanDerWaalsContact C-N 3.34Å; N198-G200 PolarHBondContact O-N 2.86Å; N198-G200 PolarHBondContact OD1-N 2.96Å; N198-K201 HydrophobicContact CB-CB 4.3Å; N198-K201 PolarHBondContact O-N 2.81Å; N198-K201 PolarHBondContact OD1-N 3.38Å; N198-D202 PolarHBondContact O-N 3.36Å; N198-D202 VanDerWaalsContact O-N 3.08Å
199P95.7Very high96.7Very high27 Ų2747 Ų4718%0.17523%0.226CC..Hα-helixtrans-67.5-34.8-173.525.6-33.9000112.2P65 C195 K201 D202 Y203P65-P199 HydrophobicContact CG-CB 3.55Å; P65-P199 HydrophobicContact CG-CG 3.91Å; C195-P199 WeakPolarHBondContact O-CA 3.46Å; C195-P199 WeakPolarHBondContact O-CD 3.47Å; C195-P199 VanDerWaalsContact O-N 3.11Å; P199-K201 PolarHBondContact O-N 3.15Å; P199-D202 PolarHBondContact O-N 3.26Å; P199-Y203 WeakPolarHBondContact O-CB 3.18Å; P199-Y203 VanDerWaalsContact O-CD2 3.31Å; P199-Y203 WeakPolarHBondContact O-CD2 3.35Å; P199-Y203 PolarHBondContact O-N 2.76Å
200G95.5Very high96.8Very high2 Ų247 Ų472%0.02123%0.227CC..Hα-helixtrans-60-43.4177.200000112.7N198 S204N198-G200 VanDerWaalsContact C-N 3.34Å; N198-G200 PolarHBondContact O-N 2.86Å; N198-G200 PolarHBondContact OD1-N 2.96Å; G200-S204 WeakPolarHBondContact O-CB 3.36Å; G200-S204 PolarHBondContact O-N 2.81Å; G200-S204 VanDerWaalsContact O-N 3.12Å
201K96.6Very high96.8Very high143 Ų14347.7 Ų47.762%0.62223%0.227SC*.Hα-helixtrans-72.2-39178-170.4174.7-178.1178.20112.4N198 P199 S204 G205N198-K201 HydrophobicContact CB-CB 4.3Å; N198-K201 PolarHBondContact O-N 2.81Å; N198-K201 PolarHBondContact OD1-N 3.38Å; P199-K201 PolarHBondContact O-N 3.15Å; K201-S204 WeakPolarHBondContact O-CB 3.42Å; K201-S204 PolarHBondContact O-N 2.85Å; K201-G205 PolarHBondContact O-N 2.83Å
202D98.1Very high97Very high2 Ų246 Ų461%0.01122%0.218CC..Hα-helixtrans-62.3-53.1176.6178.990.9000111.5N192 C195 N198 P199 S204 G205 R206 Y211N192-D202 PolarHBondContact ND2-OD1 3.16Å; C195-D202 HydrophobicContact CB-CB 3.92Å; C195-D202 VanDerWaalsContact CB-CG 3.48Å; C195-D202 PolarHBondContact N-OD1 2.94Å; N198-D202 PolarHBondContact O-N 3.36Å; N198-D202 VanDerWaalsContact O-N 3.08Å; P199-D202 PolarHBondContact O-N 3.26Å; D202-S204 VanDerWaalsContact C-N 3.25Å; D202-S204 PolarHBondContact O-N 3.06Å; D202-G205 CarbonylContact O-C 3.5Å; D202-G205 WeakPolarHBondContact O-CA 3.27Å; D202-G205 PolarHBondContact O-N 2.9Å; D202-R206 WeakPolarHBondContact O-CG 3.48Å; D202-R206 PolarHBondContact O-N 3.45Å; D202-R206 IonicContact OD2-CZ 3Å; D202-R206 VanDerWaalsContact OD2-CZ 3.23Å; D202-R206 IonicContact OD2-NE 3.14Å; D202-R206 PolarHBondContact OD2-NE 3.32Å; D202-R206 IonicContact OD2-NH2 2.68Å; D202-R206 PolarHBondContact OD2-NH2 2.84Å; D202-Y211 PolarHBondContact OD1-OH 3.36Å
203Y98.4Very high97.1Very high24 Ų2446 Ų469%0.09422%0.218CC..Hα-helixtrans-58.7-37.8177-88.7-104.5000111.8T63 P111 D190 P199 G205 R206T63-Y203 HydrophobicContact CG2-CD1 4.33Å; P111-Y203 WeakPolarHBondContact CB-O 3.49Å; D190-Y203 WeakPolarHBondContact OD1-CE2 3.42Å; D190-Y203 VanDerWaalsContact OD1-CZ 3.28Å; D190-Y203 PolarHBondContact OD1-OH 3.01Å; P199-Y203 WeakPolarHBondContact O-CB 3.18Å; P199-Y203 VanDerWaalsContact O-CD2 3.31Å; P199-Y203 WeakPolarHBondContact O-CD2 3.35Å; P199-Y203 PolarHBondContact O-N 2.76Å; Y203-G205 VanDerWaalsContact C-N 3.33Å; Y203-G205 PolarHBondContact O-N 2.93Å; Y203-R206 WeakPolarHBondContact O-CB 3.17Å; Y203-R206 PolarHBondContact O-N 3.44Å
204S98.4Very high97.3Very high23 Ų2344.5 Ų44.516%0.16121%0.207CC..Hα-helixtrans-59.7-43.2171.4-167.20000112.6Y71 G200 K201 D202 R206 R207Y71-S204 WeakPolarHBondContact O-CB 3.25Å; Y71-S204 PolarHBondContact O-OG 3.28Å; G200-S204 WeakPolarHBondContact O-CB 3.36Å; G200-S204 PolarHBondContact O-N 2.81Å; G200-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 WeakPolarHBondContact O-CB 3.42Å; K201-S204 PolarHBondContact O-N 2.85Å; D202-S204 VanDerWaalsContact C-N 3.25Å; D202-S204 PolarHBondContact O-N 3.06Å; S204-R206 VanDerWaalsContact C-N 3.3Å; S204-R206 PolarHBondContact O-N 3.49Å; S204-R207 VanDerWaalsContact O-CG 3.25Å; S204-R207 WeakPolarHBondContact O-CG 3.43Å; S204-R207 PolarHBondContact O-N 2.86Å; S204-R207 PolarHBondContact O-NE 3.32Å
205G98.3Very high97.5Very high17 Ų1740.6 Ų40.618%0.17519%0.19CC..Hα-helixtrans-65.1-27178.900000114.2K201 D202 Y203 R207 N208 Y211K201-G205 PolarHBondContact O-N 2.83Å; D202-G205 CarbonylContact O-C 3.5Å; D202-G205 WeakPolarHBondContact O-CA 3.27Å; D202-G205 PolarHBondContact O-N 2.9Å; Y203-G205 VanDerWaalsContact C-N 3.33Å; Y203-G205 PolarHBondContact O-N 2.93Å; G205-R207 PolarHBondContact O-N 3.42Å; G205-N208 PolarHBondContact O-N 3.02Å; G205-Y211 VanDerWaalsContact C-CD1 3.45Å; G205-Y211 WeakPolarHBondContact O-CD1 3.09Å
206R98.6Very high97.5Very high3 Ų340.2 Ų40.21%0.01119%0.188CC..THydrogen-bonded Turntrans-61.3-7.4176.6-63.2178.9-164.7-1673.8114.2I112 L189 D190 D202 Y203 S204 N208 V212I112-R206 HydrophobicContact CG1-CB 4.15Å; I112-R206 WeakPolarHBondContact CG1-O 3.33Å; I112-R206 PolarHBondContact N-O 2.92Å; L189-R206 PolarHBondContact O-NH2 3.39Å; L189-R206 VanDerWaalsContact O-NH2 3.16Å; D190-R206 IonicContact OD1-CZ 2.7Å; D190-R206 VanDerWaalsContact OD1-CZ 3.26Å; D190-R206 IonicContact OD1-NH1 3.08Å; D190-R206 PolarHBondContact OD1-NH1 2.95Å; D190-R206 IonicContact OD1-NH2 4Å; D190-R206 PolarHBondContact OD1-NH2 3.05Å; D202-R206 WeakPolarHBondContact O-CG 3.48Å; D202-R206 PolarHBondContact O-N 3.45Å; D202-R206 IonicContact OD2-CZ 3Å; D202-R206 VanDerWaalsContact OD2-CZ 3.23Å; D202-R206 IonicContact OD2-NE 3.14Å; D202-R206 PolarHBondContact OD2-NE 3.32Å; D202-R206 IonicContact OD2-NH2 2.68Å; D202-R206 PolarHBondContact OD2-NH2 2.84Å; Y203-R206 WeakPolarHBondContact O-CB 3.17Å; Y203-R206 PolarHBondContact O-N 3.44Å; S204-R206 VanDerWaalsContact C-N 3.3Å; S204-R206 PolarHBondContact O-N 3.49Å; R206-N208 PolarHBondContact O-N 2.96Å; R206-V212 HydrophobicContact CB-CG2 4.41Å
207R98.5Very high97.6Very high83 Ų8335.1 Ų35.131%0.31316%0.161SC..THydrogen-bonded Turntrans-69.5-21.1167.974.5-178.563.1-149.50.2114R35 Y71 K109 P111 S204 G205R35-R207 PolarHBondContact NH1-O 3.12Å; Y71-R207 VanDerWaalsContact C-NH2 3.35Å; Y71-R207 PolarHBondContact O-NH2 3Å; K109-R207 WeakPolarHBondContact O-CB 3.38Å; P111-R207 HydrophobicContact CG-CB 4.24Å; S204-R207 VanDerWaalsContact O-CG 3.25Å; S204-R207 WeakPolarHBondContact O-CG 3.43Å; S204-R207 PolarHBondContact O-N 2.86Å; S204-R207 PolarHBondContact O-NE 3.32Å; G205-R207 PolarHBondContact O-N 3.42Å
208N98.7Very high97.6Very high59 Ų5925.9 Ų25.932%0.31613%0.129SC..  trans-105.7116.4-170.8-177.3-6000110G205 R206 I210 Y211 V212G205-N208 PolarHBondContact O-N 3.02Å; R206-N208 PolarHBondContact O-N 2.96Å; N208-I210 PolarHBondContact O-N 2.61Å; N208-I210 VanDerWaalsContact OD1-CB 3.25Å; N208-I210 WeakPolarHBondContact OD1-CB 3.15Å; N208-I210 WeakPolarHBondContact OD1-CG1 3.42Å; N208-I210 PolarHBondContact OD1-N 3.26Å; N208-Y211 WeakPolarHBondContact O-CB 3.49Å; N208-Y211 PolarHBondContact O-N 2.83Å; N208-V212 PolarHBondContact O-N 2.74Å
209P98.8Very high97.7Very high2 Ų223 Ų231%0.01311%0.113CC..Hα-helixtrans-62-27.817927.5-35.3000112.8F131 A139 V140 V212 T213 I285 M333F131-P209 HydrophobicContact CE1-CB 4.01Å; F131-P209 HydrophobicContact CE1-CG 4.4Å; F131-P209 HydrophobicContact CZ-CB 4.12Å; A139-P209 HydrophobicContact CB-CG 3.83Å; V140-P209 HydrophobicContact CG1-CB 3.66Å; V140-P209 HydrophobicContact CG1-CG 3.91Å; P209-V212 PolarHBondContact O-N 3.39Å; P209-T213 VanDerWaalsContact O-CB 3.27Å; P209-T213 WeakPolarHBondContact O-CB 3.36Å; P209-T213 PolarHBondContact O-N 2.9Å; P209-T213 PolarHBondContact O-OG1 3.47Å; P209-I285 HydrophobicContact CB-CD1 4.26Å; P209-M333 HydrophobicContact CB-CB 4.17Å; P209-M333 HydrophobicContact CB-CE 4.39Å; P209-M333 HydrophobicContact CB-SD 4Å; P209-M333 HydrophobicContact CG-CB 3.86Å; P209-M333 HydrophobicContact CG-CG 4.49Å; P209-M333 HydrophobicContact CG-SD 4.19Å
210I98.7Very high97.7Very high4 Ų421.7 Ų21.72%0.02111%0.105CC..Hα-helixtrans-61.9-45.9174.1-58168.6000110.1N208 R214 M333 D337 P364 Y379N208-I210 PolarHBondContact O-N 2.61Å; N208-I210 VanDerWaalsContact OD1-CB 3.25Å; N208-I210 WeakPolarHBondContact OD1-CB 3.15Å; N208-I210 WeakPolarHBondContact OD1-CG1 3.42Å; N208-I210 PolarHBondContact OD1-N 3.26Å; I210-R214 WeakPolarHBondContact O-CB 3.46Å; I210-R214 PolarHBondContact O-N 3.34Å; I210-R214 VanDerWaalsContact O-N 3.08Å; I210-M333 HydrophobicContact CB-SD 4.41Å; I210-M333 HydrophobicContact CG1-SD 3.76Å; I210-D337 VanDerWaalsContact CD1-OD1 3.23Å; I210-D337 WeakPolarHBondContact CD1-OD1 3.36Å; I210-P364 HydrophobicContact CB-CG 4.39Å; I210-P364 HydrophobicContact CG2-CG 3.77Å; I210-Y379 HydrophobicContact CG2-CD2 4.46Å; I210-Y379 HydrophobicContact CG2-CE2 3.66Å
211Y98.6Very high97.6Very high51 Ų5121.6 Ų21.620%0.210%0.104CC..Hα-helixtrans-65.4-47.6179.2177.9-94.6000111.2K194 D202 G205 N208 R214 V215K194-Y211 WeakPolarHBondContact CB-OH 3.49Å; K194-Y211 HydrophobicContact CD-CE2 3.9Å; K194-Y211 WeakPolarHBondContact CD-OH 3.45Å; D202-Y211 PolarHBondContact OD1-OH 3.36Å; G205-Y211 VanDerWaalsContact C-CD1 3.45Å; G205-Y211 WeakPolarHBondContact O-CD1 3.09Å; N208-Y211 WeakPolarHBondContact O-CB 3.49Å; N208-Y211 PolarHBondContact O-N 2.83Å; Y211-R214 PolarHBondContact O-N 3.05Å; Y211-V215 HydrophobicContact CD1-CG2 4.18Å; Y211-V215 HydrophobicContact CE1-CG2 3.75Å; Y211-V215 HydrophobicContact CE2-CG2 4.43Å; Y211-V215 WeakPolarHBondContact O-CG2 3.28Å; Y211-V215 PolarHBondContact O-N 2.98Å
212V98.8Very high97.3Very high1 Ų115.6 Ų15.61%0.0068%0.08CC..Hα-helixtrans-60.3-48.2179.2174.30000110.2F131 L189 R206 N208 P209 R214 V215 L216 L283 I285F131-V212 HydrophobicContact CE2-CB 4.34Å; F131-V212 HydrophobicContact CE2-CG1 4.36Å; F131-V212 HydrophobicContact CE2-CG2 4.04Å; F131-V212 HydrophobicContact CZ-CB 4.48Å; F131-V212 HydrophobicContact CZ-CG2 3.98Å; L189-V212 HydrophobicContact CD2-CG1 4.24Å; R206-V212 HydrophobicContact CB-CG2 4.41Å; N208-V212 PolarHBondContact O-N 2.74Å; P209-V212 PolarHBondContact O-N 3.39Å; V212-R214 VanDerWaalsContact C-N 3.31Å; V212-R214 PolarHBondContact O-N 2.87Å; V212-V215 WeakPolarHBondContact O-CB 2.97Å; V212-V215 PolarHBondContact O-N 3.02Å; V212-L216 HydrophobicContact CG1-CD1 4.16Å; V212-L216 HydrophobicContact CG1-CG 4.3Å; V212-L216 WeakPolarHBondContact O-CG 3.3Å; V212-L216 PolarHBondContact O-N 3.29Å; V212-L283 HydrophobicContact CG1-CD1 3.91Å; V212-I285 HydrophobicContact CB-CD1 4.32Å; V212-I285 HydrophobicContact CG1-CD1 3.96Å
213T98.6Very high96.5Very high4 Ų418.8 Ų18.83%0.02510%0.097CC..Hα-helixtrans-58.8-41.6178.8-56.20000112P209 L216 S217 M333 S348 P364P209-T213 VanDerWaalsContact O-CB 3.27Å; P209-T213 WeakPolarHBondContact O-CB 3.36Å; P209-T213 PolarHBondContact O-N 2.9Å; P209-T213 PolarHBondContact O-OG1 3.47Å; T213-L216 PolarHBondContact O-N 3.38Å; T213-S217 PolarHBondContact O-N 2.79Å; T213-M333 HydrophobicContact CG2-CE 4.48Å; T213-M333 WeakPolarHBondContact OG1-CE 3.38Å; T213-S348 WeakPolarHBondContact CG2-OG 3.23Å; T213-P364 HydrophobicContact CG2-CB 4.07Å; T213-P364 HydrophobicContact CG2-CG 4.32Å
214R97.6Very high95.7Very high15 Ų1520.7 Ų20.76%0.05711%0.109CC..Hα-helixtrans-68.7-31.9175.7-170.3168.5179.678.9-2.7113.4I210 Y211 V212 S217 A218 S356 E357 G363 Y379 D380I210-R214 WeakPolarHBondContact O-CB 3.46Å; I210-R214 PolarHBondContact O-N 3.34Å; I210-R214 VanDerWaalsContact O-N 3.08Å; Y211-R214 PolarHBondContact O-N 3.05Å; V212-R214 VanDerWaalsContact C-N 3.31Å; V212-R214 PolarHBondContact O-N 2.87Å; R214-S217 PolarHBondContact O-OG 3.01Å; R214-A218 PolarHBondContact O-N 3.43Å; R214-S356 PolarHBondContact NH2-OG 3.42Å; R214-E357 IonicContact NH2-OE2 3.84Å; R214-G363 PolarHBondContact NH1-O 3.32Å; R214-Y379 VanDerWaalsContact CZ-CD1 3.4Å; R214-Y379 VanDerWaalsContact NH1-CD1 3.34Å; R214-D380 IonicContact NH1-OD2 3.95Å; R214-D380 PolarHBondContact NH1-OD2 3.45Å
215V97.6Very high94.6Very high3 Ų321.3 Ų21.32%0.01811%0.11CC..Hα-helixtrans-68.5-40.6171.6167.80000110.4L189 N192 K194 Y211 V212 A218 M219L189-V215 HydrophobicContact CD2-CG1 3.99Å; N192-V215 HydrophobicContact CB-CG1 3.68Å; K194-V215 HydrophobicContact CD-CG2 4.33Å; Y211-V215 HydrophobicContact CD1-CG2 4.18Å; Y211-V215 HydrophobicContact CE1-CG2 3.75Å; Y211-V215 HydrophobicContact CE2-CG2 4.43Å; Y211-V215 WeakPolarHBondContact O-CG2 3.28Å; Y211-V215 PolarHBondContact O-N 2.98Å; V212-V215 WeakPolarHBondContact O-CB 2.97Å; V212-V215 PolarHBondContact O-N 3.02Å; V215-A218 PolarHBondContact O-N 2.72Å; V215-M219 HydrophobicContact CG1-CG 4.11Å; V215-M219 WeakPolarHBondContact O-CB 3.08Å; V215-M219 WeakPolarHBondContact O-CG 3.29Å; V215-M219 PolarHBondContact O-N 3.28Å
216L97.7Very high93.8Very high3 Ų325.4 Ų25.42%0.01612%0.123CC..Hα-helixtrans-67-41.3178.9-65.5-178.1000112.5I188 L189 V212 T213 A218 M219 V220 V279 L283I188-L216 HydrophobicContact CG2-CD2 4.21Å; L189-L216 HydrophobicContact CD2-CD2 3.94Å; V212-L216 HydrophobicContact CG1-CD1 4.16Å; V212-L216 HydrophobicContact CG1-CG 4.3Å; V212-L216 WeakPolarHBondContact O-CG 3.3Å; V212-L216 PolarHBondContact O-N 3.29Å; T213-L216 PolarHBondContact O-N 3.38Å; L216-A218 PolarHBondContact O-N 3.33Å; L216-M219 PolarHBondContact O-N 3.22Å; L216-V220 WeakPolarHBondContact O-CB 3.37Å; L216-V220 WeakPolarHBondContact O-CG2 3.45Å; L216-V220 PolarHBondContact O-N 3.01Å; L216-V279 HydrophobicContact CD1-CB 4.43Å; L216-V279 HydrophobicContact CD1-CG1 3.97Å; L216-V279 HydrophobicContact CD2-CB 4.39Å; L216-V279 HydrophobicContact CD2-CG1 3.5Å; L216-V279 VanDerWaalsContact CD2-CG1 3.5Å; L216-V279 HydrophobicContact CG-CG1 4.38Å; L216-L283 HydrophobicContact CD1-CD1 4.23Å
217S95.5Very high93.5Very high4 Ų425.2 Ų25.23%0.02812%0.123CC..Hα-helixtrans-62.5-30.2176.9660000112.7T213 R214 N221 P350 C362T213-S217 PolarHBondContact O-N 2.79Å; R214-S217 PolarHBondContact O-OG 3.01Å; S217-N221 PolarHBondContact O-ND2 3.08Å; S217-P350 WeakPolarHBondContact O-CA 3.28Å; S217-C362 WeakPolarHBondContact CB-O 3.31Å; S217-C362 PolarHBondContact OG-O 2.9Å
218A95.2Very high93.4Very high12 Ų1221.3 Ų21.310%0.09911%0.108CC..Hα-helixtrans-74.5-53.8170.400000112.2R214 V215 L216 V220 N221 V359 C361R214-A218 PolarHBondContact O-N 3.43Å; V215-A218 PolarHBondContact O-N 2.72Å; L216-A218 PolarHBondContact O-N 3.33Å; A218-V220 VanDerWaalsContact C-N 3.31Å; A218-V220 PolarHBondContact O-N 3.03Å; A218-N221 PolarHBondContact O-N 3.43Å; A218-N221 PolarHBondContact O-ND2 3.38Å; A218-V359 HydrophobicContact CB-CG1 4.18Å; A218-C361 HydrophobicContact CB-CB 3.82Å
219M97.1Very high93.3Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-74-16.8-168.4-76.2-59.6-65.700115.1I188 M191 N192 V215 L216 N221 G227 V228I188-M219 HydrophobicContact CG2-CB 3.7Å; I188-M219 HydrophobicContact CG2-CG 4.35Å; M191-M219 HydrophobicContact CB-CE 3.99Å; N192-M219 WeakPolarHBondContact CA-SD 3.33Å; N192-M219 HydrophobicContact CB-CE 4.41Å; N192-M219 HydrophobicContact CB-CG 3.52Å; N192-M219 HydrophobicContact CB-SD 3.67Å; V215-M219 HydrophobicContact CG1-CG 4.11Å; V215-M219 WeakPolarHBondContact O-CB 3.08Å; V215-M219 WeakPolarHBondContact O-CG 3.29Å; V215-M219 PolarHBondContact O-N 3.28Å; L216-M219 PolarHBondContact O-N 3.22Å; M219-N221 VanDerWaalsContact C-N 3.33Å; M219-N221 CarbonylContact C-O 3.58Å; M219-G227 CarbonylContact O-C 3.45Å; M219-G227 WeakPolarHBondContact O-CA 3.29Å; M219-V228 PolarHBondContact O-N 3.26Å
220V96.4Very high93.2Very high0 Ų020.6 Ų20.60%010%0.104CC..THydrogen-bonded Turntrans-71.9-31.5177.71670000111.2L216 A218 L229 F272 V275 A276 P350L216-V220 WeakPolarHBondContact O-CB 3.37Å; L216-V220 WeakPolarHBondContact O-CG2 3.45Å; L216-V220 PolarHBondContact O-N 3.01Å; A218-V220 VanDerWaalsContact C-N 3.31Å; A218-V220 PolarHBondContact O-N 3.03Å; V220-L229 PolarHBondContact O-N 3.35Å; V220-F272 HydrophobicContact CG1-CB 4.05Å; V220-F272 HydrophobicContact CG1-CD1 3.94Å; V220-F272 WeakPolarHBondContact CG1-O 3.24Å; V220-V275 HydrophobicContact CG1-CB 4.33Å; V220-V275 HydrophobicContact CG1-CG1 4.26Å; V220-V275 HydrophobicContact CG2-CG1 4.34Å; V220-A276 HydrophobicContact CG1-CB 4.5Å; V220-A276 HydrophobicContact CG2-CB 4.04Å; V220-P350 HydrophobicContact CB-CB 3.91Å; V220-P350 HydrophobicContact CG1-CB 3.81Å; V220-P350 HydrophobicContact CG1-CG 4.47Å
221N93.2Very high93Very high1 Ų121.3 Ų21.31%0.00511%0.112CC..BIsolated β-bridgetrans-97.1157.6167.477.582.7000110.7S217 A218 M219 N223 G227 F272 P350 P352 Y360S217-N221 PolarHBondContact O-ND2 3.08Å; A218-N221 PolarHBondContact O-N 3.43Å; A218-N221 PolarHBondContact O-ND2 3.38Å; M219-N221 VanDerWaalsContact C-N 3.33Å; M219-N221 CarbonylContact C-O 3.58Å; N221-N223 PolarHBondContact OD1-N 3.31Å; N221-G227 WeakPolarHBondContact O-CA 3.47Å; N221-F272 HydrophobicContact CB-CD1 4.28Å; N221-F272 HydrophobicContact CB-CE1 3.88Å; N221-P350 PolarHBondContact ND2-O 2.9Å; N221-P352 HydrophobicContact CB-CB 4.13Å; N221-P352 HydrophobicContact CB-CG 3.93Å; N221-Y360 PolarHBondContact ND2-O 3.18Å
222C90.7Very high92.6Very high17 Ų1719.8 Ų19.812%0.11511%0.107CC..  trans-108.517.1-175.975.80000114.9D224 L229 L230 P263C222-D224 VanDerWaalsContact C-N 3.27Å; C222-D224 PolarHBondContact O-N 3.19Å; C222-L229 PolarHBondContact N-O 2.81Å; C222-L229 PolarHBondContact SG-O 2.74Å; C222-L230 VanDerWaalsContact SG-CD1 3.6Å; C222-P263 HydrophobicContact CB-CB 3.71Å; C222-P263 HydrophobicContact CB-CG 3.49Å; C222-P263 VanDerWaalsContact CB-CG 3.49Å; C222-P263 VanDerWaalsContact SG-CB 3.56Å
223N82.2Confident92.2Very high68 Ų6822.3 Ų22.336%0.36412%0.117SC..SBendtrans-69.6-23.1-166.7-79.117.3000113.8N221 P352 Y360N221-N223 PolarHBondContact OD1-N 3.31Å; N223-P352 HydrophobicContact CB-CB 4.34Å; N223-P352 VanDerWaalsContact ND2-CB 3.28Å; N223-P352 WeakPolarHBondContact ND2-CB 3.3Å; N223-Y360 HydrophobicContact CB-CD2 3.4Å; N223-Y360 HydrophobicContact CB-CE2 3.91Å; N223-Y360 HydrophobicContact CB-CG 4.08Å
224D79.8Confident91.2Very high65 Ų6527.3 Ų27.335%0.34815%0.147SC..SBendtrans-115.6-6.8-178.6-62.7-56.9000113.5C222 K355 V359 Y360C222-D224 VanDerWaalsContact C-N 3.27Å; C222-D224 PolarHBondContact O-N 3.19Å; D224-K355 IonicContact OD1-NZ 3.91Å; D224-K355 PolarHBondContact OD1-NZ 3.12Å; D224-V359 WeakPolarHBondContact OD2-CA 3.35Å; D224-Y360 WeakPolarHBondContact OD2-CD2 3.49Å; D224-Y360 PolarHBondContact OD2-N 2.95Å
225D76.3Confident90Very high35 Ų3529.8 Ų29.819%0.18716%0.162CC..SBendtrans-167.9-164.3-162.14719.8000113.8P193 G227P193-D225 WeakPolarHBondContact CD-OD2 3.41Å; P193-D225 HydrophobicContact CG-CB 3.61Å; P193-D225 WeakPolarHBondContact CG-OD2 3.32Å; D225-G227 PolarHBondContact O-N 3.23Å; D225-G227 VanDerWaalsContact O-N 3.12Å
226K81.7Confident89.2Confident103 Ų10331.5 Ų31.545%0.44818%0.18SC..SBendtrans-83.839.9179.8-65.8-176.1170.1-174.90112.4M191 W256M191-K226 HydrophobicContact CE-CB 4.48Å; M191-K226 HydrophobicContact CE-CD 3.49Å; M191-K226 VanDerWaalsContact CE-CD 3.49Å; K226-W256 PolarHBondContact O-NE1 3.16Å
227G91.1Very high88.8Confident0 Ų033 Ų330%019%0.186CC..  trans-65.2172.818000000114.1M219 N221 D225 W256M219-G227 CarbonylContact O-C 3.45Å; M219-G227 WeakPolarHBondContact O-CA 3.29Å; N221-G227 WeakPolarHBondContact O-CA 3.47Å; D225-G227 PolarHBondContact O-N 3.23Å; D225-G227 VanDerWaalsContact O-N 3.12Å; G227-W256 PolarHBondContact O-NE1 3.43Å
228V97.6Very high88.5Confident0 Ų041.2 Ų41.20%022%0.224CC..SBendtrans-74.1-47.6-166.6-177.60000112.6I188 M219 I252 L253 W256 V264 V275I188-V228 HydrophobicContact CD1-CG2 3.71Å; I188-V228 HydrophobicContact CG1-CG2 3.99Å; M219-V228 PolarHBondContact O-N 3.26Å; V228-I252 HydrophobicContact CG1-CG2 3.96Å; V228-L253 HydrophobicContact CG1-CD2 4.34Å; V228-W256 HydrophobicContact CB-CG 4.47Å; V228-W256 HydrophobicContact CG1-CB 4.11Å; V228-W256 HydrophobicContact CG1-CG 4.16Å; V228-W256 HydrophobicContact CG2-CD2 4.32Å; V228-W256 HydrophobicContact CG2-CG 4.43Å; V228-V264 PolarHBondContact O-N 2.81Å; V228-V275 HydrophobicContact CG1-CG1 4.35Å
229L97.3Very high88.2Confident0 Ų043.9 Ų43.90%025%0.252CS..EExtended strand (participates in β ladder)trans-122.2140.9-170.7-79.4160.5000112.3V220 C222 I252 V264 V271 F272 V275V220-L229 PolarHBondContact O-N 3.35Å; C222-L229 PolarHBondContact N-O 2.81Å; C222-L229 PolarHBondContact SG-O 2.74Å; L229-I252 HydrophobicContact CD1-CG2 4.19Å; L229-I252 HydrophobicContact CD2-CG2 3.71Å; L229-I252 HydrophobicContact CG-CG2 3.89Å; L229-V264 WeakPolarHBondContact CA-O 3.26Å; L229-V264 HydrophobicContact CD2-CB 4.06Å; L229-V264 HydrophobicContact CD2-CG1 4.19Å; L229-V271 HydrophobicContact CD1-CB 4.48Å; L229-V271 HydrophobicContact CD1-CG1 3.71Å; L229-V271 HydrophobicContact CD2-CG1 4.33Å; L229-F272 HydrophobicContact CB-CD1 3.8Å; L229-F272 HydrophobicContact CB-CE1 3.34Å; L229-F272 HydrophobicContact CB-CZ 4.22Å; L229-F272 HydrophobicContact CD1-CD1 3.88Å; L229-F272 HydrophobicContact CD1-CE1 4.24Å; L229-F272 HydrophobicContact CG-CE1 4.44Å; L229-V275 HydrophobicContact CD1-CB 4.41Å; L229-V275 HydrophobicContact CD1-CG2 3.94Å
230L96.1Very high88Confident47 Ų4745.5 Ų45.525%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-95.3126.4166.8179.961.2000110.2C222 P263 V264 R265 Y266 G267C222-L230 VanDerWaalsContact SG-CD1 3.6Å; L230-P263 HydrophobicContact CB-CB 4.19Å; L230-V264 PolarHBondContact N-O 3.45Å; L230-R265 HydrophobicContact CB-CG 4.22Å; L230-R265 HydrophobicContact CD2-CG 4.03Å; L230-Y266 HydrophobicContact CB-CD1 4.36Å; L230-Y266 HydrophobicContact CD2-CD1 4.24Å; L230-Y266 HydrophobicContact CD2-CE1 3.73Å; L230-Y266 HydrophobicContact CG-CD1 4.12Å; L230-Y266 HydrophobicContact CG-CE1 4.08Å; L230-Y266 CarbonylContact O-C 3.42Å; L230-Y266 WeakPolarHBondContact O-CA 3.44Å; L230-G267 PolarHBondContact O-N 2.86Å
231G93.7Very high87.7Confident19 Ų1947.7 Ų47.720%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-76.6141.8178.800000113.5G267G231-G267 WeakPolarHBondContact CA-O 3.26Å
232N91.6Very high87.7Confident18 Ų1848.1 Ų48.110%0.09629%0.285CS..  trans-150.6130.7171.5-1745.5000112.2T234 G236 Y266 G267 Q268N232-T234 PolarHBondContact OD1-N 2.85Å; N232-T234 PolarHBondContact OD1-OG1 2.76Å; N232-G236 PolarHBondContact ND2-O 2.68Å; N232-Y266 HydrophobicContact CB-CD1 3.39Å; N232-Y266 HydrophobicContact CB-CD2 4.33Å; N232-Y266 HydrophobicContact CB-CE1 3.93Å; N232-Y266 HydrophobicContact CB-CG 3.6Å; N232-G267 PolarHBondContact N-O 3.49Å; N232-Q268 WeakPolarHBondContact O-CG 3.28Å; N232-Q268 PolarHBondContact O-NE2 2.84Å
233W88.5Confident87.9Confident55 Ų5547.3 Ų47.321%0.20828%0.28CS..  trans-127.316.1-178-71.7-94.7000113.5Q268 F272 W323 T351 Y507 N508W233-Q268 HydrophobicContact CD2-CG 4.28Å; W233-Q268 HydrophobicContact CG-CG 4.42Å; W233-Q268 HydrophobicContact CZ2-CB 4.45Å; W233-Q268 HydrophobicContact CZ2-CG 4.25Å; W233-F272 AromaticContact CH2-CE2 3.87Å; W233-F272 HydrophobicContact CH2-CE2 3.87Å; W233-F272 HydrophobicContact CZ2-CE2 4.36Å; W233-W323 HydrophobicContact CZ2-CH2 4Å; W233-W323 AromaticContact NE1-CH2 3.79Å; W233-T351 HydrophobicContact CH2-CG2 4.23Å; W233-T351 HydrophobicContact CZ2-CG2 4.12Å; W233-Y507 AromaticContact CD1-CE1 3.66Å; W233-Y507 AromaticContact NE1-CE1 3.56Å; W233-Y507 AromaticContact NE1-CZ 3.44Å; W233-Y507 PolarHBondContact NE1-OH 2.95Å; W233-N508 WeakPolarHBondContact CB-ND2 3.13Å
234T78.6Confident88.3Confident108 Ų10844.3 Ų44.366%0.66326%0.264SS*.SBendtrans-93.811.6-172.5610000114.2N232 G236N232-T234 PolarHBondContact OD1-N 2.85Å; N232-T234 PolarHBondContact OD1-OG1 2.76Å; T234-G236 PolarHBondContact O-N 3.37Å
235D71.7Confident88.9Confident68 Ų6843.4 Ų43.436%0.36426%0.257SS..SBendtrans56.6-9.4-173.3-62.4-33.4000116T547D235-T547 WeakPolarHBondContact OD2-CG2 3.44Å
236G81.3Confident89.8Confident39 Ų3942.1 Ų42.140%0.40225%0.249SC..  trans-97.4119.4169.100000111.8N232 T234N232-G236 PolarHBondContact ND2-O 2.68Å; T234-G236 PolarHBondContact O-N 3.37Å
237Y88.6Confident90.3Very high33 Ų3337.5 Ų37.513%0.12923%0.229CC..  trans-112.128.2-176.2-52.2-64.6000113.7G239 G240 S242 P243 Y266Y237-G239 PolarHBondContact O-N 2.9Å; Y237-G240 CarbonylContact O-C 3.56Å; Y237-G240 PolarHBondContact O-N 3.49Å; Y237-G240 VanDerWaalsContact O-N 3.13Å; Y237-S242 WeakPolarHBondContact CE2-OG 2.98Å; Y237-P243 HydrophobicContact CD1-CG 4.48Å; Y237-P243 HydrophobicContact CE1-CG 3.88Å; Y237-P243 VanDerWaalsContact CZ-CD 3.45Å; Y237-Y266 HydrophobicContact CD1-CD2 4.12Å
238E89.7Confident90.5Very high178 Ų17837.5 Ų37.583%0.83223%0.229SC*.THydrogen-bonded Turntrans-55.8134.5177.3-66.6-172.617400111.7G240 Y266E238-G240 VanDerWaalsContact C-N 3.31Å; E238-Y266 PolarHBondContact O-OH 2.84Å; E238-Y266 VanDerWaalsContact O-OH 3.11Å
239G89.1Confident90.5Very high67 Ų6737.5 Ų37.569%0.69123%0.229SC*.THydrogen-bonded Turntrans78.39.8-177.600000115.1Y237Y237-G239 PolarHBondContact O-N 2.9Å
240G92.3Very high90.5Very high34 Ų3437.6 Ų37.635%0.35123%0.23SC..SBendtrans-154.4-154.1173.300000112.1Y237 E238 R265Y237-G240 CarbonylContact O-C 3.56Å; Y237-G240 PolarHBondContact O-N 3.49Å; Y237-G240 VanDerWaalsContact O-N 3.13Å; E238-G240 VanDerWaalsContact C-N 3.31Å; G240-R265 WeakPolarHBondContact CA-O 3.21Å
241V91.6Very high90.4Very high47 Ų4737.9 Ų37.929%0.28523%0.23SC..  trans-120.2155.4171.2-60.40000110.9F245 W246 R265 Y266V241-F245 HydrophobicContact CB-CB 4.29Å; V241-F245 HydrophobicContact CB-CD1 4.14Å; V241-F245 HydrophobicContact CB-CG 4.35Å; V241-F245 HydrophobicContact CG1-CD1 4.35Å; V241-F245 HydrophobicContact CG2-CB 4.46Å; V241-F245 HydrophobicContact CG2-CD1 4.05Å; V241-W246 HydrophobicContact CG2-CD2 4.27Å; V241-W246 VanDerWaalsContact CG2-CE2 3.48Å; V241-W246 HydrophobicContact CG2-CH2 3.72Å; V241-W246 HydrophobicContact CG2-CZ2 3.18Å; V241-W246 HydrophobicContact CG2-CZ3 4.44Å; V241-R265 PolarHBondContact N-O 2.89Å; V241-Y266 PolarHBondContact O-N 2.79Å
242S92.1Very high90.6Very high9 Ų937 Ų376%0.06322%0.221CC..  trans-56.8136.7171.5173.60000110.1Y237 L244 F245 E548 H667Y237-S242 WeakPolarHBondContact CE2-OG 2.98Å; S242-L244 PolarHBondContact O-N 2.84Å; S242-L244 PolarHBondContact OG-N 2.82Å; S242-F245 WeakPolarHBondContact O-CB 3.02Å; S242-F245 PolarHBondContact O-N 2.86Å; S242-E548 WeakPolarHBondContact CB-OE2 3.4Å; S242-E548 PolarHBondContact OG-OE2 3.07Å; S242-H667 WeakPolarHBondContact CB-NE2 3.39Å
243P94.1Very high90.9Very high0 Ų036.1 Ų36.10%022%0.216CC..THydrogen-bonded Turntrans-55-23171.4-27.536.3000113.8Y237 Q268 W270 V271Y237-P243 HydrophobicContact CD1-CG 4.48Å; Y237-P243 HydrophobicContact CE1-CG 3.88Å; Y237-P243 VanDerWaalsContact CZ-CD 3.45Å; P243-Q268 HydrophobicContact CB-CB 3.89Å; P243-Q268 HydrophobicContact CB-CG 3.78Å; P243-Q268 HydrophobicContact CG-CB 4.28Å; P243-Q268 HydrophobicContact CG-CG 3.63Å; P243-W270 HydrophobicContact CB-CZ2 3.98Å; P243-V271 HydrophobicContact CB-CG2 4.18Å
244L91.9Very high91.3Very high6 Ų636.4 Ų36.43%0.03122%0.217CC..THydrogen-bonded Turntrans-82-15.7176.8-66.6170.2000113.5S242 W246 W270 E548 H667 K669S242-L244 PolarHBondContact O-N 2.84Å; S242-L244 PolarHBondContact OG-N 2.82Å; L244-W246 VanDerWaalsContact C-N 3.29Å; L244-W246 PolarHBondContact O-N 2.81Å; L244-W270 HydrophobicContact CD2-CH2 3.74Å; L244-W270 HydrophobicContact CD2-CZ2 3.36Å; L244-W270 HydrophobicContact CG-CH2 4.23Å; L244-W270 HydrophobicContact CG-CZ2 3.88Å; L244-E548 HydrophobicContact CD1-CB 3.24Å; L244-E548 HydrophobicContact CD1-CG 4.45Å; L244-H667 HydrophobicContact CB-CB 3.91Å; L244-H667 WeakPolarHBondContact CB-CD2 3.26Å; L244-K669 WeakPolarHBondContact O-CE 3.47Å; L244-K669 PolarHBondContact O-NZ 2.98Å
245F92.1Very high92.2Very high45 Ų4533.4 Ų33.420%0.19720%0.197CC..THydrogen-bonded Turntrans-62.9-39172.8178.2-102.5000111.3V241 S242 K669V241-F245 HydrophobicContact CB-CB 4.29Å; V241-F245 HydrophobicContact CB-CD1 4.14Å; V241-F245 HydrophobicContact CB-CG 4.35Å; V241-F245 HydrophobicContact CG1-CD1 4.35Å; V241-F245 HydrophobicContact CG2-CB 4.46Å; V241-F245 HydrophobicContact CG2-CD1 4.05Å; S242-F245 WeakPolarHBondContact O-CB 3.02Å; S242-F245 PolarHBondContact O-N 2.86Å; F245-K669 PolarHBondContact O-NZ 3.48Å; F245-K669 VanDerWaalsContact O-NZ 3.09Å
246W94.6Very high93.4Very high8 Ų830.2 Ų30.23%0.0318%0.18CC..  trans-60.2144-177.3-55.6117.1000112.6W172 V241 L244 E251 I252 V264 Y266 V271 K669W172-W246 HydrophobicContact CH2-CB 3.48Å; W172-W246 VanDerWaalsContact CH2-CB 3.48Å; W172-W246 HydrophobicContact CH2-CG 4.5Å; W172-W246 HydrophobicContact CZ2-CB 4.44Å; W172-W246 HydrophobicContact CZ3-CB 3.92Å; V241-W246 HydrophobicContact CG2-CD2 4.27Å; V241-W246 VanDerWaalsContact CG2-CE2 3.48Å; V241-W246 HydrophobicContact CG2-CH2 3.72Å; V241-W246 HydrophobicContact CG2-CZ2 3.18Å; V241-W246 HydrophobicContact CG2-CZ3 4.44Å; L244-W246 VanDerWaalsContact C-N 3.29Å; L244-W246 PolarHBondContact O-N 2.81Å; W246-E251 HydrophobicContact CZ3-CB 4.21Å; W246-E251 HydrophobicContact CZ3-CG 3.95Å; W246-I252 HydrophobicContact CB-CD1 4.29Å; W246-I252 HydrophobicContact CD2-CD1 3.72Å; W246-I252 HydrophobicContact CD2-CG1 3.59Å; W246-I252 HydrophobicContact CE3-CD1 4.05Å; W246-I252 HydrophobicContact CE3-CG1 3.48Å; W246-I252 VanDerWaalsContact CE3-CG1 3.48Å; W246-I252 HydrophobicContact CG-CD1 3.83Å; W246-I252 HydrophobicContact CG-CG1 4.25Å; W246-I252 HydrophobicContact CH2-CG1 3.96Å; W246-I252 HydrophobicContact CZ2-CG1 4.03Å; W246-I252 HydrophobicContact CZ3-CG1 3.68Å; W246-V264 HydrophobicContact CH2-CG1 3.79Å; W246-V264 HydrophobicContact CZ2-CG1 3.6Å; W246-Y266 PolarHBondContact NE1-O 3.42Å; W246-V271 HydrophobicContact CG-CG1 4.35Å; W246-K669 PolarHBondContact O-NZ 2.71Å
247R92.5Very high94.1Very high6 Ų630 Ų302%0.02317%0.17CC..  trans-134.4-11.3-177.48.5169.6175.8-173.2-11.5111.4W172 N173 S614 V657W172-R247 CarbonylContact C-O 3.51Å; W172-R247 WeakPolarHBondContact CA-O 3.37Å; N173-R247 PolarHBondContact N-O 3.17Å; R247-S614 PolarHBondContact NH1-OG 3.1Å; R247-S614 PolarHBondContact NH2-OG 2.98Å; R247-V657 HydrophobicContact CB-CG1 3.94Å
248G95.3Very high94.4Very high1 Ų133.4 Ų33.41%0.0119%0.194CC..BIsolated β-bridgetrans-163.5162.8-178.800000111.9N173N173-G248 CarbonylContact O-C 3.56Å; N173-G248 WeakPolarHBondContact O-CA 3.29Å
249S97.9Very high94.6Very high0 Ų029.9 Ų29.90%018%0.177CC..Hα-helixtrans-83.7-20.3-179.5-52.80000112.7W172 N173 I252 L253 A274 S278W172-S249 PolarHBondContact NE1-OG 2.85Å; N173-S249 PolarHBondContact O-N 3.08Å; S249-I252 PolarHBondContact O-N 2.74Å; S249-L253 WeakPolarHBondContact O-CB 3.46Å; S249-L253 WeakPolarHBondContact O-CG 3.38Å; S249-L253 PolarHBondContact O-N 2.77Å; S249-A274 PolarHBondContact OG-O 3.14Å; S249-S278 WeakPolarHBondContact CB-OG 3.37Å; S249-S278 PolarHBondContact OG-OG 3.2Å
250V96.3Very high94.8Very high1 Ų131.3 Ų31.31%0.00618%0.177CC..Hα-helixtrans-60.7-50.3-172.5177.90000111.3E178 I181 I252 L253 R254E178-V250 HydrophobicContact CB-CG1 4.16Å; E178-V250 HydrophobicContact CB-CG2 4.18Å; E178-V250 HydrophobicContact CG-CG1 4.42Å; E178-V250 HydrophobicContact CG-CG2 3.96Å; I181-V250 HydrophobicContact CD1-CB 4.4Å; I181-V250 HydrophobicContact CD1-CG1 4.03Å; I181-V250 HydrophobicContact CG1-CG1 4.34Å; V250-I252 PolarHBondContact O-N 3.11Å; V250-L253 PolarHBondContact O-N 2.89Å; V250-R254 WeakPolarHBondContact O-CB 3.22Å; V250-R254 WeakPolarHBondContact O-CG 3.49Å; V250-R254 PolarHBondContact O-N 3.28Å
251E95.4Very high94.9Very high54 Ų5430 Ų3025%0.25216%0.162SC..Hα-helixtrans-62.8-42.5179.1-171.1-177-170.700111.4W246 R254 N255 I625W246-E251 HydrophobicContact CZ3-CB 4.21Å; W246-E251 HydrophobicContact CZ3-CG 3.95Å; E251-R254 PolarHBondContact O-N 3.46Å; E251-N255 VanDerWaalsContact O-CB 3.3Å; E251-N255 WeakPolarHBondContact O-CB 3.15Å; E251-N255 PolarHBondContact O-N 3.31Å; E251-N255 PolarHBondContact O-ND2 3.43Å; E251-I625 HydrophobicContact CB-CD1 4.42Å; E251-I625 HydrophobicContact CG-CD1 4.41Å; E251-I625 WeakPolarHBondContact OE2-CD1 3.42Å
252I97.7Very high95Very high0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-59.8-51.7178.3-61170.5000110.4W172 V228 L229 W246 S249 V250 R254 N255 W256 V264 V271 V275W172-I252 HydrophobicContact CZ2-CD1 4.31Å; V228-I252 HydrophobicContact CG1-CG2 3.96Å; L229-I252 HydrophobicContact CD1-CG2 4.19Å; L229-I252 HydrophobicContact CD2-CG2 3.71Å; L229-I252 HydrophobicContact CG-CG2 3.89Å; W246-I252 HydrophobicContact CB-CD1 4.29Å; W246-I252 HydrophobicContact CD2-CD1 3.72Å; W246-I252 HydrophobicContact CD2-CG1 3.59Å; W246-I252 HydrophobicContact CE3-CD1 4.05Å; W246-I252 HydrophobicContact CE3-CG1 3.48Å; W246-I252 VanDerWaalsContact CE3-CG1 3.48Å; W246-I252 HydrophobicContact CG-CD1 3.83Å; W246-I252 HydrophobicContact CG-CG1 4.25Å; W246-I252 HydrophobicContact CH2-CG1 3.96Å; W246-I252 HydrophobicContact CZ2-CG1 4.03Å; W246-I252 HydrophobicContact CZ3-CG1 3.68Å; S249-I252 PolarHBondContact O-N 2.74Å; V250-I252 PolarHBondContact O-N 3.11Å; I252-R254 PolarHBondContact O-N 2.82Å; I252-N255 PolarHBondContact O-N 3.25Å; I252-W256 PolarHBondContact O-N 3.01Å; I252-V264 HydrophobicContact CG2-CB 4.29Å; I252-V264 HydrophobicContact CG2-CG1 4.26Å; I252-V264 HydrophobicContact CG2-CG2 4.44Å; I252-V264 WeakPolarHBondContact O-CG2 3.5Å; I252-V271 HydrophobicContact CD1-CG1 3.47Å; I252-V271 VanDerWaalsContact CD1-CG1 3.47Å; I252-V275 HydrophobicContact CB-CG2 4.38Å; I252-V275 HydrophobicContact CD1-CG2 3.89Å; I252-V275 HydrophobicContact CG2-CG2 4.11Å
253L98.1Very high95.2Very high0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-63.1-41.9-178-72.1170.5000111.7I181 I184 I188 V228 S249 V250 W256 D257 V275 V279I181-L253 HydrophobicContact CD1-CB 3.99Å; I181-L253 HydrophobicContact CD1-CD1 4.32Å; I181-L253 HydrophobicContact CG2-CD1 3.97Å; I184-L253 HydrophobicContact CG2-CB 4.14Å; I184-L253 HydrophobicContact CG2-CD2 4.22Å; I188-L253 HydrophobicContact CD1-CD2 3.68Å; V228-L253 HydrophobicContact CG1-CD2 4.34Å; S249-L253 WeakPolarHBondContact O-CB 3.46Å; S249-L253 WeakPolarHBondContact O-CG 3.38Å; S249-L253 PolarHBondContact O-N 2.77Å; V250-L253 PolarHBondContact O-N 2.89Å; L253-W256 PolarHBondContact O-N 3.01Å; L253-D257 PolarHBondContact O-N 2.93Å; L253-V275 HydrophobicContact CD2-CG1 4.04Å; L253-V279 HydrophobicContact CD1-CG2 4.47Å; L253-V279 HydrophobicContact CD2-CG2 4.16Å
254R96.9Very high95.3Very high61 Ų6134.1 Ų34.123%0.2318%0.181CC..Hα-helixtrans-65.6-40.8175.7-74.5178.9177161.93.9112.5S179 I181 I184 V250 E251 I252 D257 T258 G623S179-R254 PolarHBondContact O-NH2 2.8Å; I181-R254 HydrophobicContact CD1-CG 4.17Å; I184-R254 HydrophobicContact CD1-CG 4.15Å; V250-R254 WeakPolarHBondContact O-CB 3.22Å; V250-R254 WeakPolarHBondContact O-CG 3.49Å; V250-R254 PolarHBondContact O-N 3.28Å; E251-R254 PolarHBondContact O-N 3.46Å; I252-R254 PolarHBondContact O-N 2.82Å; R254-D257 PolarHBondContact O-N 2.88Å; R254-T258 WeakPolarHBondContact O-CB 3.39Å; R254-T258 VanDerWaalsContact O-CG2 3.29Å; R254-T258 WeakPolarHBondContact O-CG2 3.25Å; R254-T258 PolarHBondContact O-N 2.68Å; R254-T258 PolarHBondContact O-OG1 3.39Å; R254-G623 PolarHBondContact NH1-O 2.81Å
255N96.1Very high95.5Very high45 Ų4539.7 Ų39.724%0.24120%0.201CC..Hα-helixtrans-62.7-44.4177.1-74.4-12.6000110.9E251 I252 D257 T258 Q259 V264E251-N255 VanDerWaalsContact O-CB 3.3Å; E251-N255 WeakPolarHBondContact O-CB 3.15Å; E251-N255 PolarHBondContact O-N 3.31Å; E251-N255 PolarHBondContact O-ND2 3.43Å; I252-N255 PolarHBondContact O-N 3.25Å; N255-D257 PolarHBondContact O-N 3.18Å; N255-T258 PolarHBondContact O-OG1 3.32Å; N255-Q259 VanDerWaalsContact O-CB 3.22Å; N255-Q259 WeakPolarHBondContact O-CB 3.15Å; N255-Q259 WeakPolarHBondContact O-CG 3.21Å; N255-Q259 PolarHBondContact O-N 2.98Å; N255-V264 HydrophobicContact CB-CG2 3.83Å
256W97.3Very high95.7Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-58.6-48.2175.217979.2000111.6I184 R187 I188 M191 K226 G227 V228 I252 L253 C261 Q262 V264I184-W256 HydrophobicContact CG2-CE3 3.86Å; I184-W256 HydrophobicContact CG2-CZ3 4Å; R187-W256 HydrophobicContact CB-CZ3 4.39Å; R187-W256 HydrophobicContact CG-CH2 4.2Å; R187-W256 HydrophobicContact CG-CZ3 4.17Å; I188-W256 HydrophobicContact CB-CH2 4.43Å; I188-W256 HydrophobicContact CG1-CE3 4.24Å; I188-W256 HydrophobicContact CG1-CH2 3.71Å; I188-W256 HydrophobicContact CG1-CZ2 4.37Å; I188-W256 HydrophobicContact CG1-CZ3 3.65Å; M191-W256 HydrophobicContact CB-CH2 4.23Å; M191-W256 HydrophobicContact CB-CZ2 4.29Å; M191-W256 HydrophobicContact CG-CH2 3.94Å; M191-W256 HydrophobicContact CG-CZ2 4.26Å; K226-W256 PolarHBondContact O-NE1 3.16Å; G227-W256 PolarHBondContact O-NE1 3.43Å; V228-W256 HydrophobicContact CB-CG 4.47Å; V228-W256 HydrophobicContact CG1-CB 4.11Å; V228-W256 HydrophobicContact CG1-CG 4.16Å; V228-W256 HydrophobicContact CG2-CD2 4.32Å; V228-W256 HydrophobicContact CG2-CG 4.43Å; I252-W256 PolarHBondContact O-N 3.01Å; L253-W256 PolarHBondContact O-N 3.01Å; W256-C261 HydrophobicContact CD2-CB 4.24Å; W256-C261 HydrophobicContact CH2-CB 4.03Å; W256-C261 HydrophobicContact CZ2-CB 3.49Å; W256-C261 VanDerWaalsContact CZ2-CB 3.49Å; W256-C261 PolarHBondContact NE1-O 2.84Å; W256-C261 WeakPolarHBondContact O-CA 3.36Å; W256-C261 PolarHBondContact O-N 3.07Å; W256-Q262 VanDerWaalsContact CD1-O 3.23Å; W256-V264 HydrophobicContact CB-CG2 3.79Å
257D96.3Very high95.8Very high36 Ų3638.4 Ų38.419%0.19320%0.195CC..Hα-helixtrans-66.4-47.7-177.2-171.956.2000113.1I184 R187 L253 R254 N255 Q259 S260I184-D257 HydrophobicContact CD1-CB 3.74Å; I184-D257 HydrophobicContact CG1-CB 3.69Å; I184-D257 HydrophobicContact CG2-CB 4.18Å; R187-D257 WeakPolarHBondContact CD-OD1 3.45Å; R187-D257 IonicContact CZ-OD1 2.79Å; R187-D257 IonicContact NE-OD1 3.82Å; R187-D257 PolarHBondContact NE-OD1 3.46Å; R187-D257 VanDerWaalsContact NE-OD1 3.14Å; R187-D257 IonicContact NH1-OD1 2.82Å; R187-D257 PolarHBondContact NH1-OD1 2.7Å; R187-D257 IonicContact NH1-OD2 3.23Å; R187-D257 IonicContact NH2-OD1 2.77Å; L253-D257 PolarHBondContact O-N 2.93Å; R254-D257 PolarHBondContact O-N 2.88Å; N255-D257 PolarHBondContact O-N 3.18Å; D257-Q259 VanDerWaalsContact C-N 3.28Å; D257-Q259 PolarHBondContact O-N 3.43Å; D257-S260 PolarHBondContact O-N 3.2Å
258T95.4Very high95.9Very high104 Ų10438.3 Ų38.364%0.63820%0.195SC*.Hα-helixtrans-69.2-26.7-178.155.40000112.7R254 N255 S260R254-T258 WeakPolarHBondContact O-CB 3.39Å; R254-T258 VanDerWaalsContact O-CG2 3.29Å; R254-T258 WeakPolarHBondContact O-CG2 3.25Å; R254-T258 PolarHBondContact O-N 2.68Å; R254-T258 PolarHBondContact O-OG1 3.39Å; N255-T258 PolarHBondContact O-OG1 3.32Å; T258-S260 PolarHBondContact O-N 2.99Å
259Q93.4Very high96Very high104 Ų10438.2 Ų38.249%0.48619%0.194SC..THydrogen-bonded Turntrans-9032.1175.2-61.4-178.410.100112.4N255 D257 C261 Q262N255-Q259 VanDerWaalsContact O-CB 3.22Å; N255-Q259 WeakPolarHBondContact O-CB 3.15Å; N255-Q259 WeakPolarHBondContact O-CG 3.21Å; N255-Q259 PolarHBondContact O-N 2.98Å; D257-Q259 VanDerWaalsContact C-N 3.28Å; D257-Q259 PolarHBondContact O-N 3.43Å; Q259-C261 VanDerWaalsContact C-N 3.29Å; Q259-C261 PolarHBondContact O-N 3.36Å; Q259-Q262 HydrophobicContact CB-CB 4.39Å; Q259-Q262 WeakPolarHBondContact O-CB 3.49Å; Q259-Q262 WeakPolarHBondContact O-CG 3.41Å; Q259-Q262 PolarHBondContact O-N 2.89Å; Q259-Q262 VanDerWaalsContact O-N 3.13Å
260S92.8Very high96Very high96 Ų9638.5 Ų38.567%0.67120%0.195SC*.THydrogen-bonded Turntrans56.940.4176-57.10000113.5D257 T258 Q262D257-S260 PolarHBondContact O-N 3.2Å; T258-S260 PolarHBondContact O-N 2.99Å; S260-Q262 PolarHBondContact O-N 3.4Å
261C94.4Very high96.1Very high7 Ų738.5 Ų38.55%0.04720%0.195CC..THydrogen-bonded Turntrans60.131.5-178.7-48.90000113.3M191 W256 Q259M191-C261 HydrophobicContact CE-CB 4.31Å; W256-C261 HydrophobicContact CD2-CB 4.24Å; W256-C261 HydrophobicContact CH2-CB 4.03Å; W256-C261 HydrophobicContact CZ2-CB 3.49Å; W256-C261 VanDerWaalsContact CZ2-CB 3.49Å; W256-C261 PolarHBondContact NE1-O 2.84Å; W256-C261 WeakPolarHBondContact O-CA 3.36Å; W256-C261 PolarHBondContact O-N 3.07Å; Q259-C261 VanDerWaalsContact C-N 3.29Å; Q259-C261 PolarHBondContact O-N 3.36Å
262Q94.3Very high96.2Very high104 Ų10435.9 Ų35.949%0.48618%0.183SC..PPolyproline II helixtrans-78.8143.5170.1-69-56.5-58.700110.5W256 Q259 S260 V264W256-Q262 VanDerWaalsContact CD1-O 3.23Å; Q259-Q262 HydrophobicContact CB-CB 4.39Å; Q259-Q262 WeakPolarHBondContact O-CB 3.49Å; Q259-Q262 WeakPolarHBondContact O-CG 3.41Å; Q259-Q262 PolarHBondContact O-N 2.89Å; Q259-Q262 VanDerWaalsContact O-N 3.13Å; S260-Q262 PolarHBondContact O-N 3.4Å; Q262-V264 PolarHBondContact O-N 3.06Å
263P95.7Very high96.3Very high32 Ų3235.9 Ų35.921%0.20818%0.183CC..PPolyproline II helixtrans-59.8130.2-179.3-25.234.8000112.9C222 L230C222-P263 HydrophobicContact CB-CB 3.71Å; C222-P263 HydrophobicContact CB-CG 3.49Å; C222-P263 VanDerWaalsContact CB-CG 3.49Å; C222-P263 VanDerWaalsContact SG-CB 3.56Å; L230-P263 HydrophobicContact CB-CB 4.19Å
264V97.2Very high96.3Very high7 Ų735.9 Ų35.94%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-75.9134.3175.4178.40000109.6V228 L229 L230 W246 I252 N255 W256 Q262V228-V264 PolarHBondContact O-N 2.81Å; L229-V264 WeakPolarHBondContact CA-O 3.26Å; L229-V264 HydrophobicContact CD2-CB 4.06Å; L229-V264 HydrophobicContact CD2-CG1 4.19Å; L230-V264 PolarHBondContact N-O 3.45Å; W246-V264 HydrophobicContact CH2-CG1 3.79Å; W246-V264 HydrophobicContact CZ2-CG1 3.6Å; I252-V264 HydrophobicContact CG2-CB 4.29Å; I252-V264 HydrophobicContact CG2-CG1 4.26Å; I252-V264 HydrophobicContact CG2-CG2 4.44Å; I252-V264 WeakPolarHBondContact O-CG2 3.5Å; N255-V264 HydrophobicContact CB-CG2 3.83Å; W256-V264 HydrophobicContact CB-CG2 3.79Å; Q262-V264 PolarHBondContact O-N 3.06Å
265R95.8Very high96.4Very high123 Ų12333 Ų3346%0.46417%0.172SC..EExtended strand (participates in β ladder)trans-110.5122.2-175.8-61.7-175.1-179.5-177.80.2110.1L230 G240 V241L230-R265 HydrophobicContact CB-CG 4.22Å; L230-R265 HydrophobicContact CD2-CG 4.03Å; G240-R265 WeakPolarHBondContact CA-O 3.21Å; V241-R265 PolarHBondContact N-O 2.89Å
266Y95.6Very high96.5Very high26 Ų2631 Ų3110%0.10216%0.162CC..EExtended strand (participates in β ladder)cis-128.7161.5-0.8-65.8-79000111.9L230 N232 Y237 E238 V241 W246L230-Y266 HydrophobicContact CB-CD1 4.36Å; L230-Y266 HydrophobicContact CD2-CD1 4.24Å; L230-Y266 HydrophobicContact CD2-CE1 3.73Å; L230-Y266 HydrophobicContact CG-CD1 4.12Å; L230-Y266 HydrophobicContact CG-CE1 4.08Å; L230-Y266 CarbonylContact O-C 3.42Å; L230-Y266 WeakPolarHBondContact O-CA 3.44Å; N232-Y266 HydrophobicContact CB-CD1 3.39Å; N232-Y266 HydrophobicContact CB-CD2 4.33Å; N232-Y266 HydrophobicContact CB-CE1 3.93Å; N232-Y266 HydrophobicContact CB-CG 3.6Å; Y237-Y266 HydrophobicContact CD1-CD2 4.12Å; E238-Y266 PolarHBondContact O-OH 2.84Å; E238-Y266 VanDerWaalsContact O-OH 3.11Å; V241-Y266 PolarHBondContact O-N 2.79Å; W246-Y266 PolarHBondContact NE1-O 3.42Å
267G96.4Very high96.6Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-119.8158174.900000113L230 G231 N232L230-G267 PolarHBondContact O-N 2.86Å; G231-G267 WeakPolarHBondContact CA-O 3.26Å; N232-G267 PolarHBondContact N-O 3.49Å
268Q95.5Very high96.7Very high3 Ų329.3 Ų29.31%0.01415%0.153CC..  trans-134.7175.9168.1-79177.8-3.400108.6N232 W233 P243 W270 V271 F272 Y507N232-Q268 WeakPolarHBondContact O-CG 3.28Å; N232-Q268 PolarHBondContact O-NE2 2.84Å; W233-Q268 HydrophobicContact CD2-CG 4.28Å; W233-Q268 HydrophobicContact CG-CG 4.42Å; W233-Q268 HydrophobicContact CZ2-CB 4.45Å; W233-Q268 HydrophobicContact CZ2-CG 4.25Å; P243-Q268 HydrophobicContact CB-CB 3.89Å; P243-Q268 HydrophobicContact CB-CG 3.78Å; P243-Q268 HydrophobicContact CG-CB 4.28Å; P243-Q268 HydrophobicContact CG-CG 3.63Å; Q268-W270 VanDerWaalsContact C-N 3.32Å; Q268-W270 HydrophobicContact CB-CD2 4.48Å; Q268-W270 HydrophobicContact CB-CE3 4.09Å; Q268-W270 HydrophobicContact CB-CH2 3.91Å; Q268-W270 HydrophobicContact CB-CZ2 4.22Å; Q268-W270 HydrophobicContact CB-CZ3 3.8Å; Q268-W270 PolarHBondContact O-N 3.48Å; Q268-W270 VanDerWaalsContact O-N 3.12Å; Q268-W270 VanDerWaalsContact OE1-CZ3 3.27Å; Q268-V271 WeakPolarHBondContact O-CA 3.37Å; Q268-V271 WeakPolarHBondContact O-CB 3.4Å; Q268-V271 PolarHBondContact O-N 2.68Å; Q268-F272 VanDerWaalsContact C-CD2 3.4Å; Q268-F272 WeakPolarHBondContact O-CD2 3.39Å; Q268-F272 PolarHBondContact O-N 3.4Å; Q268-Y507 HydrophobicContact CB-CE1 4.26Å; Q268-Y507 HydrophobicContact CG-CE1 4.19Å
269C96.6Very high96.9Very high0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-52.2-42.9-165.162.10000114.6V271 F272 A273 W323 H326 C327 T351 Y507C269-V271 VanDerWaalsContact C-N 3.31Å; C269-V271 PolarHBondContact O-N 3.14Å; C269-F272 PolarHBondContact O-N 2.87Å; C269-A273 WeakPolarHBondContact O-CB 3.5Å; C269-A273 PolarHBondContact O-N 3.34Å; C269-W323 HydrophobicContact CB-CZ3 4.12Å; C269-H326 WeakPolarHBondContact CB-ND1 3.38Å; C269-C327 HydrophobicContact CB-CB 4.48Å; C269-T351 WeakPolarHBondContact CA-OG1 3.4Å; C269-T351 HydrophobicContact CB-CG2 4.07Å; C269-T351 WeakPolarHBondContact CB-OG1 3.05Å; C269-Y507 PolarHBondContact N-OH 3.37Å; C269-Y507 WeakPolarHBondContact SG-CE2 3.31Å; C269-Y507 PolarHBondContact SG-OH 2.92Å
270W98Very high97.1Very high6 Ų619.5 Ų19.52%0.02310%0.1CC..Hα-helixtrans-66.1-33.3177.166.988.7000113.2I159 P243 L244 Q268 A274 Y325 C327 Y507I159-W270 HydrophobicContact CD1-CB 4.35Å; I159-W270 HydrophobicContact CG2-CB 3.99Å; P243-W270 HydrophobicContact CB-CZ2 3.98Å; L244-W270 HydrophobicContact CD2-CH2 3.74Å; L244-W270 HydrophobicContact CD2-CZ2 3.36Å; L244-W270 HydrophobicContact CG-CH2 4.23Å; L244-W270 HydrophobicContact CG-CZ2 3.88Å; Q268-W270 VanDerWaalsContact C-N 3.32Å; Q268-W270 HydrophobicContact CB-CD2 4.48Å; Q268-W270 HydrophobicContact CB-CE3 4.09Å; Q268-W270 HydrophobicContact CB-CH2 3.91Å; Q268-W270 HydrophobicContact CB-CZ2 4.22Å; Q268-W270 HydrophobicContact CB-CZ3 3.8Å; Q268-W270 PolarHBondContact O-N 3.48Å; Q268-W270 VanDerWaalsContact O-N 3.12Å; Q268-W270 VanDerWaalsContact OE1-CZ3 3.27Å; W270-A274 WeakPolarHBondContact O-CB 3.32Å; W270-A274 PolarHBondContact O-N 3.42Å; W270-Y325 AromaticContact CE3-CE2 3.95Å; W270-Y325 HydrophobicContact CE3-CE2 3.95Å; W270-Y325 VanDerWaalsContact CE3-OH 3.29Å; W270-Y325 HydrophobicContact CZ3-CE2 4.39Å; W270-Y325 WeakPolarHBondContact CZ3-OH 3.4Å; W270-C327 HydrophobicContact CB-CB 4.18Å; W270-Y507 HydrophobicContact CE3-CE2 4.4Å; W270-Y507 HydrophobicContact CH2-CD1 4.28Å; W270-Y507 HydrophobicContact CH2-CE1 4.17Å; W270-Y507 AromaticContact CZ3-CD1 3.78Å; W270-Y507 HydrophobicContact CZ3-CD1 3.78Å; W270-Y507 HydrophobicContact CZ3-CD2 4.25Å; W270-Y507 AromaticContact CZ3-CE1 3.55Å; W270-Y507 HydrophobicContact CZ3-CE1 3.55Å; W270-Y507 HydrophobicContact CZ3-CE2 4.03Å; W270-Y507 HydrophobicContact CZ3-CG 4.11Å; W270-Y507 AromaticContact CZ3-CZ 3.64Å
271V98.4Very high97.4Very high0 Ų015.2 Ų15.20%07%0.069CC..Hα-helixtrans-68.5-46.5177.2-1710000109.2W172 L229 P243 W246 I252 Q268 C269 A274 V275W172-V271 HydrophobicContact CH2-CG1 4.18Å; W172-V271 HydrophobicContact CH2-CG2 4.37Å; L229-V271 HydrophobicContact CD1-CB 4.48Å; L229-V271 HydrophobicContact CD1-CG1 3.71Å; L229-V271 HydrophobicContact CD2-CG1 4.33Å; P243-V271 HydrophobicContact CB-CG2 4.18Å; W246-V271 HydrophobicContact CG-CG1 4.35Å; I252-V271 HydrophobicContact CD1-CG1 3.47Å; I252-V271 VanDerWaalsContact CD1-CG1 3.47Å; Q268-V271 WeakPolarHBondContact O-CA 3.37Å; Q268-V271 WeakPolarHBondContact O-CB 3.4Å; Q268-V271 PolarHBondContact O-N 2.68Å; C269-V271 VanDerWaalsContact C-N 3.31Å; C269-V271 PolarHBondContact O-N 3.14Å; V271-A274 PolarHBondContact O-N 2.9Å; V271-V275 WeakPolarHBondContact O-CG2 3.45Å; V271-V275 PolarHBondContact O-N 3.38Å
272F98.6Very high97.6Very high0 Ų014.9 Ų14.90%07%0.067CC..Hα-helixtrans-59.7-49.6175.1-64.3-68.5000111V220 N221 L229 W233 Q268 C269 A274 V275 A276 P350 T351V220-F272 HydrophobicContact CG1-CB 4.05Å; V220-F272 HydrophobicContact CG1-CD1 3.94Å; V220-F272 WeakPolarHBondContact CG1-O 3.24Å; N221-F272 HydrophobicContact CB-CD1 4.28Å; N221-F272 HydrophobicContact CB-CE1 3.88Å; L229-F272 HydrophobicContact CB-CD1 3.8Å; L229-F272 HydrophobicContact CB-CE1 3.34Å; L229-F272 HydrophobicContact CB-CZ 4.22Å; L229-F272 HydrophobicContact CD1-CD1 3.88Å; L229-F272 HydrophobicContact CD1-CE1 4.24Å; L229-F272 HydrophobicContact CG-CE1 4.44Å; W233-F272 AromaticContact CH2-CE2 3.87Å; W233-F272 HydrophobicContact CH2-CE2 3.87Å; W233-F272 HydrophobicContact CZ2-CE2 4.36Å; Q268-F272 VanDerWaalsContact C-CD2 3.4Å; Q268-F272 WeakPolarHBondContact O-CD2 3.39Å; Q268-F272 PolarHBondContact O-N 3.4Å; C269-F272 PolarHBondContact O-N 2.87Å; F272-A274 VanDerWaalsContact C-N 3.34Å; F272-A274 PolarHBondContact O-N 2.81Å; F272-V275 PolarHBondContact O-N 3.23Å; F272-A276 WeakPolarHBondContact O-CB 3.41Å; F272-A276 PolarHBondContact O-N 3.33Å; F272-P350 HydrophobicContact CB-CB 4.15Å; F272-P350 HydrophobicContact CB-CG 3.81Å; F272-T351 HydrophobicContact CD2-CG2 4.32Å
273A98.8Very high97.9Very high0 Ų010 Ų100%04%0.044CC..Hα-helixtrans-59.7-42.6178.400000112.2C269 A276 C277 V289 C327 V329C269-A273 WeakPolarHBondContact O-CB 3.5Å; C269-A273 PolarHBondContact O-N 3.34Å; A273-A276 PolarHBondContact O-N 2.85Å; A273-C277 WeakPolarHBondContact O-CB 3.35Å; A273-C277 PolarHBondContact O-N 3.29Å; A273-V289 HydrophobicContact CB-CG1 4.05Å; A273-C327 HydrophobicContact CB-CB 4.11Å; A273-V329 HydrophobicContact CB-CG1 4.07Å; A273-V329 WeakPolarHBondContact O-CG1 3.48Å
274A98.8Very high98Very high0 Ų08.4 Ų8.40%03%0.034CC..Hα-helixtrans-69.3-39.6-178.700000113I159 W172 F174 S249 W270 V271 F272 C277 S278I159-A274 HydrophobicContact CD1-CB 3.77Å; W172-A274 HydrophobicContact CD2-CB 3.9Å; W172-A274 HydrophobicContact CG-CB 4.14Å; W172-A274 HydrophobicContact CH2-CB 4.49Å; W172-A274 HydrophobicContact CZ2-CB 3.73Å; F174-A274 HydrophobicContact CE1-CB 4.09Å; S249-A274 PolarHBondContact OG-O 3.14Å; W270-A274 WeakPolarHBondContact O-CB 3.32Å; W270-A274 PolarHBondContact O-N 3.42Å; V271-A274 PolarHBondContact O-N 2.9Å; F272-A274 VanDerWaalsContact C-N 3.34Å; F272-A274 PolarHBondContact O-N 2.81Å; A274-C277 PolarHBondContact O-N 2.65Å; A274-S278 PolarHBondContact O-N 3.22Å; A274-S278 PolarHBondContact O-OG 2.98Å
275V98.8Very high98.1Very high0 Ų08.1 Ų8.10%03%0.032CC..Hα-helixtrans-64.2-46.7172.7171.70000110.4V220 V228 L229 I252 L253 V271 F272 C277 S278 V279V220-V275 HydrophobicContact CG1-CB 4.33Å; V220-V275 HydrophobicContact CG1-CG1 4.26Å; V220-V275 HydrophobicContact CG2-CG1 4.34Å; V228-V275 HydrophobicContact CG1-CG1 4.35Å; L229-V275 HydrophobicContact CD1-CB 4.41Å; L229-V275 HydrophobicContact CD1-CG2 3.94Å; I252-V275 HydrophobicContact CB-CG2 4.38Å; I252-V275 HydrophobicContact CD1-CG2 3.89Å; I252-V275 HydrophobicContact CG2-CG2 4.11Å; L253-V275 HydrophobicContact CD2-CG1 4.04Å; V271-V275 WeakPolarHBondContact O-CG2 3.45Å; V271-V275 PolarHBondContact O-N 3.38Å; F272-V275 PolarHBondContact O-N 3.23Å; V275-C277 VanDerWaalsContact C-N 3.31Å; V275-C277 PolarHBondContact O-N 3.11Å; V275-S278 WeakPolarHBondContact O-CB 3.35Å; V275-S278 PolarHBondContact O-N 3.36Å; V275-S278 VanDerWaalsContact O-N 3.12Å; V275-V279 HydrophobicContact CG1-CG2 4.41Å; V275-V279 WeakPolarHBondContact O-CG2 3.24Å; V275-V279 PolarHBondContact O-N 3.18Å
276A98.8Very high98.2Very high3 Ų32.2 Ų2.23%0.0251%0.01CC..Hα-helixtrans-57.2-44.2176.200000111.9V220 F272 A273 S278 V279 S280 V329 P350V220-A276 HydrophobicContact CG1-CB 4.5Å; V220-A276 HydrophobicContact CG2-CB 4.04Å; F272-A276 WeakPolarHBondContact O-CB 3.41Å; F272-A276 PolarHBondContact O-N 3.33Å; A273-A276 PolarHBondContact O-N 2.85Å; A276-S278 VanDerWaalsContact C-N 3.34Å; A276-S278 PolarHBondContact O-N 3.29Å; A276-V279 PolarHBondContact O-N 2.85Å; A276-S280 WeakPolarHBondContact O-CB 3.46Å; A276-S280 PolarHBondContact O-N 3.24Å; A276-S280 PolarHBondContact O-OG 2.91Å; A276-V329 HydrophobicContact CB-CG1 4.12Å; A276-V329 HydrophobicContact CB-CG2 4.24Å; A276-P350 HydrophobicContact CB-CB 4.18Å; A276-P350 HydrophobicContact CB-CG 3.88Å
277C98.9Very high98.4Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-61.4-42.9176.2-170.70000111.8F174 A273 A274 V275 V279 S280 R281 V289 V329F174-C277 HydrophobicContact CD1-CB 4.39Å; F174-C277 HydrophobicContact CE1-CB 3.93Å; F174-C277 HydrophobicContact CZ-CB 4.47Å; A273-C277 WeakPolarHBondContact O-CB 3.35Å; A273-C277 PolarHBondContact O-N 3.29Å; A274-C277 PolarHBondContact O-N 2.65Å; V275-C277 VanDerWaalsContact C-N 3.31Å; V275-C277 PolarHBondContact O-N 3.11Å; C277-V279 PolarHBondContact O-N 3.19Å; C277-S280 PolarHBondContact O-N 2.87Å; C277-R281 WeakPolarHBondContact O-CB 3.34Å; C277-R281 VanDerWaalsContact O-CG 3.27Å; C277-R281 WeakPolarHBondContact O-CG 3.31Å; C277-R281 PolarHBondContact O-N 2.92Å; C277-R281 PolarHBondContact SG-NE 2.86Å; C277-V289 HydrophobicContact CB-CG2 3.68Å; C277-V329 HydrophobicContact CB-CG1 3.98Å
278S98.8Very high98.5Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-61.8-45.4178.7-50.70000111.5F174 Q176 S249 A274 V275 A276 R281 A282F174-S278 WeakPolarHBondContact CD1-OG 3.25Å; F174-S278 PolarHBondContact O-OG 3.31Å; Q176-S278 WeakPolarHBondContact CB-O 3.44Å; S249-S278 WeakPolarHBondContact CB-OG 3.37Å; S249-S278 PolarHBondContact OG-OG 3.2Å; A274-S278 PolarHBondContact O-N 3.22Å; A274-S278 PolarHBondContact O-OG 2.98Å; V275-S278 WeakPolarHBondContact O-CB 3.35Å; V275-S278 PolarHBondContact O-N 3.36Å; V275-S278 VanDerWaalsContact O-N 3.12Å; A276-S278 VanDerWaalsContact C-N 3.34Å; A276-S278 PolarHBondContact O-N 3.29Å; S278-R281 PolarHBondContact O-N 3.03Å; S278-A282 WeakPolarHBondContact O-CB 3.33Å; S278-A282 PolarHBondContact O-N 3.19Å
279V98.9Very high98.7Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-67.2-44.7178.6-1780000110.9C185 I188 L216 L253 V275 A276 C277 R281 A282 L283C185-V279 HydrophobicContact CB-CG1 3.95Å; I188-V279 HydrophobicContact CD1-CG2 3.88Å; L216-V279 HydrophobicContact CD1-CB 4.43Å; L216-V279 HydrophobicContact CD1-CG1 3.97Å; L216-V279 HydrophobicContact CD2-CB 4.39Å; L216-V279 HydrophobicContact CD2-CG1 3.5Å; L216-V279 VanDerWaalsContact CD2-CG1 3.5Å; L216-V279 HydrophobicContact CG-CG1 4.38Å; L253-V279 HydrophobicContact CD1-CG2 4.47Å; L253-V279 HydrophobicContact CD2-CG2 4.16Å; V275-V279 HydrophobicContact CG1-CG2 4.41Å; V275-V279 WeakPolarHBondContact O-CG2 3.24Å; V275-V279 PolarHBondContact O-N 3.18Å; A276-V279 PolarHBondContact O-N 2.85Å; C277-V279 PolarHBondContact O-N 3.19Å; V279-R281 PolarHBondContact O-N 2.85Å; V279-A282 WeakPolarHBondContact O-CB 3.33Å; V279-A282 PolarHBondContact O-N 3.28Å; V279-L283 HydrophobicContact CG1-CD1 4.06Å; V279-L283 HydrophobicContact CG1-CG 4.44Å; V279-L283 VanDerWaalsContact O-CG 3.28Å; V279-L283 WeakPolarHBondContact O-CG 3.47Å; V279-L283 PolarHBondContact O-N 2.87Å
280S98.9Very high98.8Very high2 Ų21.6 Ų1.61%0.0141%0.008CC..Hα-helixtrans-58-46.2175.7-69.50000112A276 C277 L283 G284 I285A276-S280 WeakPolarHBondContact O-CB 3.46Å; A276-S280 PolarHBondContact O-N 3.24Å; A276-S280 PolarHBondContact O-OG 2.91Å; C277-S280 PolarHBondContact O-N 2.87Å; S280-L283 PolarHBondContact O-N 2.81Å; S280-G284 PolarHBondContact O-N 3.42Å; S280-I285 CarbonylContact C-O 3.52Å; S280-I285 PolarHBondContact O-N 3.03Å
281R98.9Very high98.8Very high6 Ų61.4 Ų1.42%0.0231%0.008CC..Hα-helixtrans-62.4-44.2176.9-72.7-174.3-178.9-167.9-1.1112.3E150 Y151 S154 Q176 C277 S278 V279 L283 G284 C287E150-R281 PolarHBondContact O-NH1 3.3Å; E150-R281 VanDerWaalsContact O-NH1 3.08Å; E150-R281 PolarHBondContact O-NH2 2.74Å; E150-R281 VanDerWaalsContact O-NH2 3.17Å; Y151-R281 VanDerWaalsContact O-CG 3.31Å; Y151-R281 WeakPolarHBondContact O-CG 3.34Å; Y151-R281 PolarHBondContact O-NE 2.87Å; S154-R281 PolarHBondContact O-NH1 2.98Å; Q176-R281 HydrophobicContact CB-CB 4.35Å; Q176-R281 HydrophobicContact CG-CB 3.94Å; C277-R281 WeakPolarHBondContact O-CB 3.34Å; C277-R281 VanDerWaalsContact O-CG 3.27Å; C277-R281 WeakPolarHBondContact O-CG 3.31Å; C277-R281 PolarHBondContact O-N 2.92Å; C277-R281 PolarHBondContact SG-NE 2.86Å; S278-R281 PolarHBondContact O-N 3.03Å; V279-R281 PolarHBondContact O-N 2.85Å; R281-L283 VanDerWaalsContact C-N 3.26Å; R281-L283 PolarHBondContact O-N 3.13Å; R281-G284 PolarHBondContact O-N 2.76Å; R281-C287 HydrophobicContact CG-CB 4.33Å; R281-C287 PolarHBondContact NE-O 2.93Å; R281-C287 PolarHBondContact NH2-O 2.66Å
282A98.9Very high98.8Very high1 Ų11.4 Ų1.41%0.0081%0.008CC..Hα-helixtrans-57.1-40.6176.300000111.9Q176 L182 C185 S278 V279 G284Q176-A282 HydrophobicContact CB-CB 3.96Å; L182-A282 HydrophobicContact CD1-CB 4.38Å; C185-A282 HydrophobicContact CB-CB 4.17Å; C185-A282 VanDerWaalsContact SG-CB 3.56Å; S278-A282 WeakPolarHBondContact O-CB 3.33Å; S278-A282 PolarHBondContact O-N 3.19Å; V279-A282 WeakPolarHBondContact O-CB 3.33Å; V279-A282 PolarHBondContact O-N 3.28Å; A282-G284 VanDerWaalsContact C-N 3.26Å; A282-G284 PolarHBondContact O-N 2.97Å
283L98.9Very high98.7Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-78.3-8.1179.6-61.4177.7000113.5I112 F131 C185 L186 L189 V212 L216 V279 S280 R281I112-L283 HydrophobicContact CD1-CB 4.04Å; I112-L283 HydrophobicContact CD1-CD1 4.2Å; I112-L283 HydrophobicContact CD1-CD2 3.96Å; I112-L283 HydrophobicContact CD1-CG 4.27Å; F131-L283 WeakPolarHBondContact CB-O 3.34Å; F131-L283 WeakPolarHBondContact CD2-O 3.14Å; F131-L283 PolarHBondContact N-O 2.85Å; C185-L283 HydrophobicContact CB-CD2 4.21Å; L186-L283 HydrophobicContact CD2-CD2 3.82Å; L186-L283 HydrophobicContact CG-CD2 4.49Å; L189-L283 HydrophobicContact CD1-CD1 4.01Å; L189-L283 HydrophobicContact CD1-CD2 4.42Å; L189-L283 HydrophobicContact CG-CD1 4.47Å; V212-L283 HydrophobicContact CG1-CD1 3.91Å; L216-L283 HydrophobicContact CD1-CD1 4.23Å; V279-L283 HydrophobicContact CG1-CD1 4.06Å; V279-L283 HydrophobicContact CG1-CG 4.44Å; V279-L283 VanDerWaalsContact O-CG 3.28Å; V279-L283 WeakPolarHBondContact O-CG 3.47Å; V279-L283 PolarHBondContact O-N 2.87Å; S280-L283 PolarHBondContact O-N 2.81Å; R281-L283 VanDerWaalsContact C-N 3.26Å; R281-L283 PolarHBondContact O-N 3.13Å
284G98.8Very high98.3Very high0 Ų03.2 Ų3.20%02%0.017CC..THydrogen-bonded Turntrans9114.8179.100000115.2P133 S280 R281 A282P133-G284 WeakPolarHBondContact CD-O 3.49Å; S280-G284 PolarHBondContact O-N 3.42Å; R281-G284 PolarHBondContact O-N 2.76Å; A282-G284 VanDerWaalsContact C-N 3.26Å; A282-G284 PolarHBondContact O-N 2.97Å
285I98.9Very high97.9Very high0 Ų03.3 Ų3.30%02%0.018CC..  trans-89.5118173.2-56176.8000107.9F131 V140 P209 V212 S280 C287 M333F131-I285 HydrophobicContact CB-CG1 4.49Å; F131-I285 HydrophobicContact CD2-CD1 3.95Å; F131-I285 HydrophobicContact CD2-CG1 3.5Å; F131-I285 HydrophobicContact CE2-CD1 3.77Å; F131-I285 HydrophobicContact CE2-CG1 3.87Å; F131-I285 HydrophobicContact CG-CG1 4.04Å; F131-I285 HydrophobicContact CZ-CD1 4.48Å; V140-I285 HydrophobicContact CG1-CG1 4.37Å; V140-I285 HydrophobicContact CG1-CG2 4.36Å; P209-I285 HydrophobicContact CB-CD1 4.26Å; V212-I285 HydrophobicContact CB-CD1 4.32Å; V212-I285 HydrophobicContact CG1-CD1 3.96Å; S280-I285 CarbonylContact C-O 3.52Å; S280-I285 PolarHBondContact O-N 3.03Å; I285-C287 PolarHBondContact O-N 3.04Å; I285-M333 HydrophobicContact CG2-CE 4.41Å
286P98.9Very high97.4Very high0 Ų03.3 Ų3.30%02%0.018CC..  trans-59.7125.2176.6-17.828.9000110.4P133 M142 Y151 V152 S331 W332P133-P286 HydrophobicContact CB-CG 3.6Å; P133-P286 HydrophobicContact CG-CG 4.28Å; M142-P286 HydrophobicContact CE-CB 3.8Å; M142-P286 HydrophobicContact CE-CG 4.25Å; M142-P286 HydrophobicContact SD-CB 4.47Å; Y151-P286 WeakPolarHBondContact O-CA 3.26Å; V152-P286 HydrophobicContact CG2-CB 3.87Å; V152-P286 HydrophobicContact CG2-CG 3.8Å; P286-S331 WeakPolarHBondContact O-CA 3.34Å; P286-W332 HydrophobicContact CB-CB 3.99Å; P286-W332 HydrophobicContact CG-CB 4.29Å; P286-W332 PolarHBondContact O-N 2.91Å
287C98.9Very high96.2Very high0 Ų04.4 Ų4.40%02%0.022CC..EExtended strand (participates in β ladder)trans-145.2144.8-170-171.50000112.9Y151 R281 I285 E330Y151-C287 PolarHBondContact O-N 2.78Å; R281-C287 HydrophobicContact CG-CB 4.33Å; R281-C287 PolarHBondContact NE-O 2.93Å; R281-C287 PolarHBondContact NH2-O 2.66Å; I285-C287 PolarHBondContact O-N 3.04Å; C287-E330 VanDerWaalsContact CA-O 3.24Å; C287-E330 WeakPolarHBondContact CA-O 3.37Å; C287-E330 PolarHBondContact SG-O 3.4Å
288R98.9Very high94.6Very high6 Ų64.4 Ų4.42%0.0232%0.022CC..EExtended strand (participates in β ladder)trans-136.9148.5175.962.1-176.4-174.7175.94112Y151 I290 V329 E330 W345Y151-R288 HydrophobicContact CD1-CB 3.96Å; Y151-R288 HydrophobicContact CE1-CB 3.95Å; Y151-R288 HydrophobicContact CE1-CG 4.45Å; Y151-R288 PolarHBondContact OH-NH1 3.09Å; R288-I290 HydrophobicContact CG-CD1 3.85Å; R288-V329 WeakPolarHBondContact O-CA 3Å; R288-E330 HydrophobicContact CG-CB 3.96Å; R288-E330 IonicContact CZ-OE2 2.74Å; R288-E330 PolarHBondContact N-O 2.93Å; R288-E330 IonicContact NE-OE2 3.87Å; R288-E330 PolarHBondContact NE-OE2 3.48Å; R288-E330 IonicContact NH2-OE2 2.77Å; R288-E330 PolarHBondContact NH2-OE2 2.85Å; R288-E330 PolarHBondContact O-N 3.12Å; R288-W345 HydrophobicContact CG-CH2 4.07Å; R288-W345 HydrophobicContact CG-CZ3 4.06Å
289V98.9Very high92.6Very high10 Ų105.8 Ų5.86%0.0613%0.031CC..EExtended strand (participates in β ladder)trans-86.6133.4175177.10000109.2I159 F174 A273 C277 V329 T418I159-V289 HydrophobicContact CG1-CG1 4.31Å; I159-V289 HydrophobicContact CG2-CG1 4.23Å; F174-V289 HydrophobicContact CE1-CG2 3.88Å; F174-V289 HydrophobicContact CZ-CG2 3.87Å; A273-V289 HydrophobicContact CB-CG1 4.05Å; C277-V289 HydrophobicContact CB-CG2 3.68Å; V289-V329 HydrophobicContact CG2-CG1 4.39Å; V289-T418 PolarHBondContact O-OG1 3.15Å
290I98.8Very high91Very high0 Ų09.6 Ų9.60%05%0.051CC..EExtended strand (participates in β ladder)trans-113.8143.6-179.1-54.1-51.8000109.5R288 C327 W328 E330 I416 S417 T418 I429R288-I290 HydrophobicContact CG-CD1 3.85Å; I290-C327 WeakPolarHBondContact O-CA 3.49Å; I290-C327 WeakPolarHBondContact O-CB 3.25Å; I290-W328 HydrophobicContact CB-CD2 4.45Å; I290-W328 HydrophobicContact CB-CG 4.34Å; I290-W328 HydrophobicContact CG2-CD2 4.47Å; I290-W328 HydrophobicContact CG2-CZ2 3.87Å; I290-W328 PolarHBondContact N-O 2.92Å; I290-W328 PolarHBondContact O-N 3.21Å; I290-W328 VanDerWaalsContact O-N 3.12Å; I290-E330 HydrophobicContact CD1-CB 4.43Å; I290-E330 HydrophobicContact CD1-CG 4.12Å; I290-E330 HydrophobicContact CG1-CB 4.19Å; I290-E330 HydrophobicContact CG1-CG 3.64Å; I290-E330 WeakPolarHBondContact CG1-OE1 3.31Å; I290-I416 HydrophobicContact CG2-CG2 3.45Å; I290-I416 VanDerWaalsContact CG2-CG2 3.45Å; I290-S417 WeakPolarHBondContact CA-O 3.31Å; I290-T418 HydrophobicContact CD1-CG2 4.43Å; I290-I429 HydrophobicContact CD1-CD1 3.53Å; I290-I429 HydrophobicContact CG1-CD1 4.38Å; I290-I429 HydrophobicContact CG2-CD1 4.22Å
291T98.8Very high89.3Confident1 Ų112 Ų121%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-121124.2170.5-53.70000109.9F160 Y293 Y325 H326 I416 S417F160-T291 WeakPolarHBondContact O-CG2 3.28Å; F160-T291 PolarHBondContact O-OG1 2.94Å; T291-Y293 HydrophobicContact CG2-CD2 4.32Å; T291-Y293 HydrophobicContact CG2-CE1 4.24Å; T291-Y293 HydrophobicContact CG2-CE2 3.77Å; T291-Y325 HydrophobicContact CG2-CD2 4Å; T291-Y325 HydrophobicContact CG2-CG 4.23Å; T291-H326 CarbonylContact C-O 3.51Å; T291-H326 WeakPolarHBondContact CA-O 3.46Å; T291-I416 CarbonylContact O-C 3.56Å; T291-I416 VanDerWaalsContact O-CA 3.27Å; T291-I416 WeakPolarHBondContact O-CA 3.35Å; T291-S417 PolarHBondContact N-O 3.23Å; T291-S417 PolarHBondContact O-N 3.43Å
292N98.1Very high87.7Confident0 Ų015.6 Ų15.60%09%0.088CC..EExtended strand (participates in β ladder)trans-106128.5171179.328.6000110.6S295 Y325 H326 W328 E387 G413 I416N292-S295 WeakPolarHBondContact ND2-CB 3.32Å; N292-S295 PolarHBondContact ND2-OG 2.75Å; N292-Y325 CarbonylContact O-C 3.48Å; N292-Y325 WeakPolarHBondContact O-CA 3.25Å; N292-Y325 WeakPolarHBondContact O-CB 3.18Å; N292-H326 PolarHBondContact N-O 2.89Å; N292-H326 PolarHBondContact O-N 3.27Å; N292-W328 HydrophobicContact CB-CE3 4.42Å; N292-W328 HydrophobicContact CB-CH2 3.28Å; N292-W328 HydrophobicContact CB-CZ2 4.23Å; N292-W328 HydrophobicContact CB-CZ3 3.39Å; N292-E387 PolarHBondContact ND2-O 2.95Å; N292-E387 VanDerWaalsContact ND2-O 3.13Å; N292-G413 WeakPolarHBondContact OD1-CA 3.17Å; N292-I416 HydrophobicContact CB-CG1 4.41Å
293Y95.5Very high86.7Confident0 Ų016.2 Ų16.20%09%0.091CC..EExtended strand (participates in β ladder)trans-97.2147.1178.2-62.8-91.7000111.7F160 R161 S163 S164 I167 T291 S295 G413 Q414 M415F160-Y293 WeakPolarHBondContact CB-OH 3.36Å; R161-Y293 PolarHBondContact O-OH 3.39Å; S163-Y293 VanDerWaalsContact C-CD1 3.44Å; S164-Y293 VanDerWaalsContact N-CD1 3.34Å; I167-Y293 HydrophobicContact CD1-CE2 3.93Å; I167-Y293 HydrophobicContact CG1-CE1 4.3Å; I167-Y293 HydrophobicContact CG1-CE2 4.12Å; I167-Y293 WeakPolarHBondContact CG2-OH 3.42Å; T291-Y293 HydrophobicContact CG2-CD2 4.32Å; T291-Y293 HydrophobicContact CG2-CE1 4.24Å; T291-Y293 HydrophobicContact CG2-CE2 3.77Å; Y293-S295 VanDerWaalsContact C-N 3.26Å; Y293-S295 PolarHBondContact O-N 2.74Å; Y293-G413 PolarHBondContact O-N 3.49Å; Y293-Q414 VanDerWaalsContact CB-O 3.32Å; Y293-Q414 WeakPolarHBondContact CB-O 3.46Å; Y293-Q414 PolarHBondContact N-O 3.27Å; Y293-Q414 PolarHBondContact O-N 2.97Å; Y293-M415 HydrophobicContact CD2-CB 3.89Å; Y293-M415 VanDerWaalsContact CD2-O 3.31Å; Y293-M415 WeakPolarHBondContact CD2-O 3.37Å; Y293-M415 HydrophobicContact CE2-CB 4.43Å; Y293-M415 WeakPolarHBondContact CE2-O 3.17Å
294L91.2Very high85.7Confident39 Ų3917.2 Ų17.220%0.20410%0.097CC..EExtended strand (participates in β ladder)trans53.548.9-171-55.8173.3000110.1I322 W323 N324 L411 V412 G413 Q414L294-I322 HydrophobicContact CB-CG2 4.04Å; L294-I322 HydrophobicContact CD2-CG2 4.23Å; L294-W323 CarbonylContact C-O 3.53Å; L294-W323 WeakPolarHBondContact CA-O 3.18Å; L294-W323 PolarHBondContact N-O 3.05Å; L294-N324 PolarHBondContact N-O 3.21Å; L294-L411 WeakPolarHBondContact CD1-O 3.37Å; L294-V412 VanDerWaalsContact O-CA 3.23Å; L294-V412 WeakPolarHBondContact O-CA 3.48Å; L294-V412 WeakPolarHBondContact O-CB 3.15Å; L294-G413 PolarHBondContact O-N 3.45Å; L294-G413 VanDerWaalsContact O-N 3.11Å; L294-Q414 HydrophobicContact CD1-CG 4.29Å
295S91.3Very high84.6Confident1 Ų117.2 Ų17.21%0.00710%0.097CC..EExtended strand (participates in β ladder)trans-73.7130.4-177.4-158.20000109.9N292 Y293 H297 W323 H326N292-S295 WeakPolarHBondContact ND2-CB 3.32Å; N292-S295 PolarHBondContact ND2-OG 2.75Å; Y293-S295 VanDerWaalsContact C-N 3.26Å; Y293-S295 PolarHBondContact O-N 2.74Å; S295-H297 PolarHBondContact O-N 2.87Å; S295-W323 PolarHBondContact N-O 3.27Å; S295-W323 PolarHBondContact O-N 3.1Å; S295-H326 WeakPolarHBondContact OG-CB 3.41Å
296A86.7Confident83.7Confident0 Ų021.6 Ų21.60%012%0.117CC..EExtended strand (participates in β ladder)trans-80.3101.9178.800000110.7D298 I305 I322 A386 E387 A390 V412A296-D298 VanDerWaalsContact C-N 3.32Å; A296-D298 PolarHBondContact O-N 2.83Å; A296-D298 VanDerWaalsContact O-N 3.13Å; A296-I305 HydrophobicContact CB-CD1 3.4Å; A296-I305 VanDerWaalsContact CB-CD1 3.4Å; A296-I322 HydrophobicContact CB-CD1 3.94Å; A296-A386 VanDerWaalsContact CB-O 3.31Å; A296-A386 WeakPolarHBondContact CB-O 3.36Å; A296-E387 PolarHBondContact N-O 3.15Å; A296-E387 VanDerWaalsContact N-O 3.09Å; A296-E387 WeakPolarHBondContact O-CA 3.1Å; A296-A390 HydrophobicContact CB-CB 3.63Å; A296-V412 HydrophobicContact CB-CB 4.26Å; A296-V412 HydrophobicContact CB-CG1 4.18Å; A296-V412 HydrophobicContact CB-CG2 4.33Å
297H74.8Confident82.9Confident26 Ų2622.1 Ų22.112%0.1212%0.12CC..EExtended strand (participates in β ladder)trans-85.682.1170.8-171.1-102.4000109.2S295 M321 W323 Q353S295-H297 PolarHBondContact O-N 2.87Å; H297-M321 VanDerWaalsContact CB-O 3.26Å; H297-M321 WeakPolarHBondContact CB-O 3.46Å; H297-M321 PolarHBondContact N-O 3.46Å; H297-M321 VanDerWaalsContact N-O 3.08Å; H297-M321 PolarHBondContact O-N 3.46Å; H297-W323 VanDerWaalsContact CB-CD1 3.5Å; H297-W323 HydrophobicContact CB-CG 4.3Å; H297-W323 VanDerWaalsContact CB-NE1 3.34Å; H297-W323 AromaticContact CG-NE1 3.53Å; H297-W323 AromaticContact ND1-NE1 3.95Å; H297-Q353 PolarHBondContact CD2-NE2 3.47Å; H297-Q353 VanDerWaalsContact NE2-CB 3.25Å; H297-Q353 WeakPolarHBondContact NE2-CB 3.5Å; H297-Q353 WeakPolarHBondContact NE2-CG 3.44Å
298D63.8Low82.2Confident1 Ų125.6 Ų25.61%0.00513%0.133CC..  trans-91.1121.4177179.25.1000110A296 N300 S301 N302 L303 I305 A386A296-D298 VanDerWaalsContact C-N 3.32Å; A296-D298 PolarHBondContact O-N 2.83Å; A296-D298 VanDerWaalsContact O-N 3.13Å; D298-N300 VanDerWaalsContact OD1-CG 3.24Å; D298-N300 PolarHBondContact OD1-N 2.97Å; D298-N300 PolarHBondContact OD1-OD1 2.7Å; D298-S301 PolarHBondContact OD1-N 3.17Å; D298-S301 VanDerWaalsContact OD2-C 3.31Å; D298-S301 WeakPolarHBondContact OD2-CA 3.4Å; D298-S301 PolarHBondContact OD2-N 3.33Å; D298-S301 VanDerWaalsContact OD2-N 3.16Å; D298-N302 PolarHBondContact OD2-N 2.9Å; D298-L303 PolarHBondContact OD2-N 3.35Å; D298-I305 HydrophobicContact CB-CD1 4.13Å; D298-I305 HydrophobicContact CB-CG1 4.17Å; D298-A386 HydrophobicContact CB-CB 4.31Å
299T57.8Low81.6Confident28 Ų2825.3 Ų25.317%0.17213%0.132CC..SBendtrans-89.43.6-179.761.10000114.4R319 D320 E354T299-R319 HydrophobicContact CG2-CG 4.26Å; T299-D320 WeakPolarHBondContact CB-OD1 3.31Å; T299-D320 PolarHBondContact N-OD1 3.13Å; T299-D320 PolarHBondContact OG1-OD1 2.75Å; T299-E354 WeakPolarHBondContact CA-OE1 3.41Å; T299-E354 VanDerWaalsContact CB-OE1 3.25Å; T299-E354 WeakPolarHBondContact CB-OE1 3.35Å
300N65.6Low81.1Confident80 Ų8026.7 Ų26.743%0.42814%0.139SC..SBendtrans-136.51.2-175.268.945.8000114.9D298 N302D298-N300 VanDerWaalsContact OD1-CG 3.24Å; D298-N300 PolarHBondContact OD1-N 2.97Å; D298-N300 PolarHBondContact OD1-OD1 2.7Å; N300-N302 PolarHBondContact ND2-ND2 3.09Å; N300-N302 PolarHBondContact O-N 3Å; N300-N302 WeakPolarHBondContact OD1-CB 3.36Å; N300-N302 PolarHBondContact OD1-N 2.88Å; N300-N302 PolarHBondContact OD1-ND2 3.48Å; N300-N302 VanDerWaalsContact OD1-ND2 3.12Å; N300-N302 PolarHBondContact OD1-OD1 3.49Å; N300-N302 VanDerWaalsContact OD1-OD1 3.08Å
301S63.6Low80.3Confident53 Ų5329.7 Ų29.737%0.37115%0.153SC..  trans58.723178.4-53.10000114.7D298 L303D298-S301 PolarHBondContact OD1-N 3.17Å; D298-S301 VanDerWaalsContact OD2-C 3.31Å; D298-S301 WeakPolarHBondContact OD2-CA 3.4Å; D298-S301 PolarHBondContact OD2-N 3.33Å; D298-S301 VanDerWaalsContact OD2-N 3.16Å; S301-L303 PolarHBondContact O-N 3.28Å
302N64.9Low79.2Confident82 Ų8232.4 Ų32.444%0.43917%0.168SC..  trans-81.76.7-176.573.84000113.9D298 N300 V304D298-N302 PolarHBondContact OD2-N 2.9Å; N300-N302 PolarHBondContact ND2-ND2 3.09Å; N300-N302 PolarHBondContact O-N 3Å; N300-N302 WeakPolarHBondContact OD1-CB 3.36Å; N300-N302 PolarHBondContact OD1-N 2.88Å; N300-N302 PolarHBondContact OD1-ND2 3.48Å; N300-N302 VanDerWaalsContact OD1-ND2 3.12Å; N300-N302 PolarHBondContact OD1-OD1 3.49Å; N300-N302 VanDerWaalsContact OD1-OD1 3.08Å; N302-V304 PolarHBondContact ND2-O 2.84Å; N302-V304 WeakPolarHBondContact O-CG2 3.14Å; N302-V304 PolarHBondContact O-N 2.87Å; N302-V304 VanDerWaalsContact OD1-C 3.31Å; N302-V304 PolarHBondContact OD1-N 2.97Å; N302-V304 PolarHBondContact OD1-O 3.08Å
303L76.7Confident78.1Confident14 Ų1432.6 Ų32.67%0.07317%0.17CC..SBendtrans57.99.2178.8-56.3-179000114.2D298 S301 F385 A386 A390 D391 H451D298-L303 PolarHBondContact OD2-N 3.35Å; S301-L303 PolarHBondContact O-N 3.28Å; L303-F385 HydrophobicContact CD1-CE1 4.36Å; L303-F385 HydrophobicContact CD2-CD1 3.67Å; L303-F385 HydrophobicContact CD2-CE1 4.17Å; L303-A386 HydrophobicContact CD2-CB 3.91Å; L303-A390 WeakPolarHBondContact O-CA 3.43Å; L303-D391 PolarHBondContact O-N 2.78Å; L303-H451 HydrophobicContact CD1-CB 3.85Å; L303-H451 PolarHBondContact O-CE1 2.82Å; L303-H451 VanDerWaalsContact O-CE1 3.29Å; L303-H451 PolarHBondContact O-NE2 3.04Å
304V78.1Confident77.3Confident20 Ų2037 Ų3712%0.12119%0.19CC..EExtended strand (participates in β ladder)trans-144.5100.9-172.5-175.50000109.3N302 D391 V393 N453N302-V304 PolarHBondContact ND2-O 2.84Å; N302-V304 WeakPolarHBondContact O-CG2 3.14Å; N302-V304 PolarHBondContact O-N 2.87Å; N302-V304 VanDerWaalsContact OD1-C 3.31Å; N302-V304 PolarHBondContact OD1-N 2.97Å; N302-V304 PolarHBondContact OD1-O 3.08Å; V304-D391 CarbonylContact C-O 3.48Å; V304-D391 WeakPolarHBondContact CA-O 3.16Å; V304-V393 HydrophobicContact CG1-CG2 3.94Å; V304-N453 HydrophobicContact CG2-CB 4.05Å; V304-N453 WeakPolarHBondContact CG2-ND2 3.46Å
305I77.3Confident76.7Confident0 Ų036.2 Ų36.20%019%0.186CC..EExtended strand (participates in β ladder)trans-88.1117.8177.2-62.7175000109.1A296 D298 H307 D320 I322 A390 D391 V392 V393A296-I305 HydrophobicContact CB-CD1 3.4Å; A296-I305 VanDerWaalsContact CB-CD1 3.4Å; D298-I305 HydrophobicContact CB-CD1 4.13Å; D298-I305 HydrophobicContact CB-CG1 4.17Å; I305-H307 VanDerWaalsContact CG2-CD2 3.44Å; I305-H307 WeakPolarHBondContact CG2-CD2 3.47Å; I305-D320 HydrophobicContact CG2-CB 4.02Å; I305-I322 HydrophobicContact CD1-CD1 3.57Å; I305-A390 HydrophobicContact CD1-CB 4.15Å; I305-A390 HydrophobicContact CG1-CB 4.29Å; I305-D391 PolarHBondContact N-O 3.08Å; I305-V392 WeakPolarHBondContact O-CA 3.13Å; I305-V393 PolarHBondContact O-N 3.41Å
306E79.3Confident76.2Confident93 Ų9339 Ų3944%0.43520%0.201SC..EExtended strand (participates in β ladder)trans-89.1120.8171-66.4-171.2167.200111Y308 V393E306-Y308 HydrophobicContact CB-CE2 4.02Å; E306-Y308 PolarHBondContact OE2-OH 2.75Å; E306-V393 CarbonylContact C-O 3.39Å; E306-V393 WeakPolarHBondContact CA-O 3.02Å
307H81.4Confident75.5Confident11 Ų1143.9 Ų43.95%0.05122%0.224CC..EExtended strand (participates in β ladder)trans-104.9138.1173.3-82.4-164.4000110.8I305 L315 I322 V393 T394 M395I305-H307 VanDerWaalsContact CG2-CD2 3.44Å; I305-H307 WeakPolarHBondContact CG2-CD2 3.47Å; H307-L315 HydrophobicContact CB-CD1 4.1Å; H307-I322 VanDerWaalsContact CE1-CG1 3.5Å; H307-I322 WeakPolarHBondContact CE1-CG1 3.41Å; H307-V393 PolarHBondContact N-O 3.03Å; H307-T394 CarbonylContact O-C 3.59Å; H307-T394 WeakPolarHBondContact O-CA 3.47Å; H307-M395 PolarHBondContact O-N 3Å
308Y84.9Confident75.2Confident72 Ų7244.5 Ų44.528%0.28223%0.231SC..EExtended strand (participates in β ladder)trans-108.2132.5176.8-67.8-93.4000110.1E306 L315 I316 M395 T403E306-Y308 HydrophobicContact CB-CE2 4.02Å; E306-Y308 PolarHBondContact OE2-OH 2.75Å; Y308-L315 WeakPolarHBondContact O-CD1 3.19Å; Y308-I316 WeakPolarHBondContact O-CB 3.37Å; Y308-I316 PolarHBondContact O-N 2.88Å; Y308-M395 CarbonylContact C-O 3.59Å; Y308-M395 VanDerWaalsContact CA-O 3.27Å; Y308-M395 WeakPolarHBondContact CA-O 3.4Å; Y308-M395 HydrophobicContact CD1-CB 3.91Å; Y308-M395 HydrophobicContact CE1-CB 3.88Å; Y308-M395 HydrophobicContact CE1-CG 4.4Å; Y308-T403 HydrophobicContact CE1-CG2 4.22Å
309V87.1Confident75.3Confident0 Ų054 Ų540%027%0.266CS..EExtended strand (participates in β ladder)trans-122.6150.6171.4-62.50000110E314 L315 T394 M395 M396 K397 V406 L568V309-E314 CarbonylContact C-O 3.57Å; V309-E314 WeakPolarHBondContact CA-O 3.33Å; V309-L315 HydrophobicContact CG1-CD1 4.22Å; V309-T394 HydrophobicContact CG1-CG2 3.92Å; V309-T394 HydrophobicContact CG2-CG2 3.94Å; V309-M395 PolarHBondContact N-O 2.86Å; V309-M396 HydrophobicContact CG2-CB 4.22Å; V309-M396 CarbonylContact O-C 3.59Å; V309-M396 VanDerWaalsContact O-CA 3.28Å; V309-M396 WeakPolarHBondContact O-CA 3.18Å; V309-K397 PolarHBondContact O-N 2.88Å; V309-V406 HydrophobicContact CG2-CG2 4.37Å; V309-L568 HydrophobicContact CG1-CD2 3.92Å; V309-L568 HydrophobicContact CG2-CD2 4.41Å
310N86.4Confident75.6Confident39 Ų3953.8 Ų53.821%0.20926%0.264CS..  trans-85.2-179.8172.573.214.3000111.8N312 G313 E314 I316N310-N312 PolarHBondContact O-N 2.89Å; N310-N312 VanDerWaalsContact O-N 3.11Å; N310-N312 WeakPolarHBondContact OD1-CA 3.23Å; N310-N312 WeakPolarHBondContact OD1-CB 3.3Å; N310-N312 PolarHBondContact OD1-N 3.48Å; N310-G313 PolarHBondContact O-N 2.83Å; N310-G313 PolarHBondContact OD1-N 2.85Å; N310-E314 PolarHBondContact N-O 3.12Å; N310-E314 PolarHBondContact ND2-OE2 2.62Å; N310-E314 WeakPolarHBondContact OD1-CB 3.06Å; N310-E314 PolarHBondContact OD1-N 3.32Å; N310-I316 HydrophobicContact CB-CD1 4.26Å; N310-I316 HydrophobicContact CB-CG1 4.38Å
311E82.8Confident75.9Confident63 Ų6351.2 Ų51.229%0.29425%0.25SS..THydrogen-bonded Turntrans-67.9-6.6-179.6-61.8-179.995.200114.7M396 K398 K399E311-M396 HydrophobicContact CG-SD 4.4Å; E311-K398 HydrophobicContact CG-CB 4.37Å; E311-K398 HydrophobicContact CG-CG 4.26Å; E311-K399 VanDerWaalsContact OE2-CG 3.24Å; E311-K399 WeakPolarHBondContact OE2-CG 3.5Å; E311-K399 PolarHBondContact OE2-N 2.61Å; E311-K399 VanDerWaalsContact OE2-N 3.13Å
312N76.8Confident76.8Confident58 Ų5849.7 Ų49.731%0.3124%0.238SC..THydrogen-bonded Turntrans-98.70.6171.7-59.9-26.6000112N310 E314 V499N310-N312 PolarHBondContact O-N 2.89Å; N310-N312 VanDerWaalsContact O-N 3.11Å; N310-N312 WeakPolarHBondContact OD1-CA 3.23Å; N310-N312 WeakPolarHBondContact OD1-CB 3.3Å; N310-N312 PolarHBondContact OD1-N 3.48Å; N312-E314 VanDerWaalsContact C-N 3.27Å; N312-E314 HydrophobicContact CB-CG 4.18Å; N312-V499 VanDerWaalsContact O-CG1 3.24Å; N312-V499 WeakPolarHBondContact O-CG1 3.46Å
313G74.4Confident77.8Confident5 Ų546.5 Ų46.55%0.05222%0.219CC..SBendtrans76.611.9-175.800000113.8N310N310-G313 PolarHBondContact O-N 2.83Å; N310-G313 PolarHBondContact OD1-N 2.85Å
314E78.8Confident78.5Confident91 Ų9146 Ų4643%0.42522%0.216SC..PPolyproline II helixtrans-79132.9175.2-56.6168.6148.800109V309 N310 N312 I316V309-E314 CarbonylContact C-O 3.57Å; V309-E314 WeakPolarHBondContact CA-O 3.33Å; N310-E314 PolarHBondContact N-O 3.12Å; N310-E314 PolarHBondContact ND2-OE2 2.62Å; N310-E314 WeakPolarHBondContact OD1-CB 3.06Å; N310-E314 PolarHBondContact OD1-N 3.32Å; N312-E314 VanDerWaalsContact C-N 3.27Å; N312-E314 HydrophobicContact CB-CG 4.18Å; E314-I316 PolarHBondContact O-N 2.82Å
315L78.3Confident79.3Confident23 Ų2345 Ų4512%0.1221%0.211CC..EExtended strand (participates in β ladder)trans-69129.2178.1-178.382.7000109.8H307 Y308 V309 L511H307-L315 HydrophobicContact CB-CD1 4.1Å; Y308-L315 WeakPolarHBondContact O-CD1 3.19Å; V309-L315 HydrophobicContact CG1-CD1 4.22Å; L315-L511 HydrophobicContact CB-CD1 3.93Å; L315-L511 WeakPolarHBondContact O-CD1 3.36Å
316I80.8Confident80.2Confident61 Ų6145 Ų4531%0.31321%0.211SC..EExtended strand (participates in β ladder)trans-86.7119.6172-58.2174.8000106.3Y308 N310 E314 S318 K397Y308-I316 WeakPolarHBondContact O-CB 3.37Å; Y308-I316 PolarHBondContact O-N 2.88Å; N310-I316 HydrophobicContact CB-CD1 4.26Å; N310-I316 HydrophobicContact CB-CG1 4.38Å; E314-I316 PolarHBondContact O-N 2.82Å; I316-S318 PolarHBondContact O-N 3.49Å; I316-K397 HydrophobicContact CD1-CB 3.79Å; I316-K397 HydrophobicContact CD1-CD 4.13Å; I316-K397 HydrophobicContact CD1-CG 4.47Å
317Q71.1Confident81.1Confident102 Ų10240.6 Ų40.648%0.47719%0.19SC..PPolyproline II helixtrans-59.3130-176.4-74.2-176.8-28.900111.7
318S69.6Low81.9Confident38 Ų3840.2 Ų40.227%0.26619%0.188SC..  trans-121.9167.8174.248.80000110.1I316 D320I316-S318 PolarHBondContact O-N 3.49Å; S318-D320 PolarHBondContact OG-O 3.02Å
319R64.8Low82.6Confident201 Ų20137 Ų3776%0.75818%0.176SC*.SBendtrans-69.3-38.9175.7-170.5178.3178.3177.8-5.6111.9T299T299-R319 HydrophobicContact CG2-CG 4.26Å
320D65.8Low83.1Confident24 Ų2437 Ų3713%0.12818%0.176CC..SBendtrans-82.1133172.3-54.2-41.5000109T299 I305 S318T299-D320 WeakPolarHBondContact CB-OD1 3.31Å; T299-D320 PolarHBondContact N-OD1 3.13Å; T299-D320 PolarHBondContact OG1-OD1 2.75Å; I305-D320 HydrophobicContact CG2-CB 4.02Å; S318-D320 PolarHBondContact OG-O 3.02Å
321M71.3Confident83.7Confident26 Ų2635.1 Ų35.113%0.12817%0.166CC..EExtended strand (participates in β ladder)trans-138.6142.5-177.7-64.7-169.8113.600110.7H297 W323 G509H297-M321 VanDerWaalsContact CB-O 3.26Å; H297-M321 WeakPolarHBondContact CB-O 3.46Å; H297-M321 PolarHBondContact N-O 3.46Å; H297-M321 VanDerWaalsContact N-O 3.08Å; H297-M321 PolarHBondContact O-N 3.46Å; M321-W323 PolarHBondContact O-N 2.71Å; M321-G509 WeakPolarHBondContact CE-O 3.45Å
322I81.6Confident84.5Confident21 Ų2135.6 Ų35.611%0.10817%0.165CC..EExtended strand (participates in β ladder)trans-83.8111.4164.4-58.8-54.1000108.9L294 A296 I305 H307 V392 V412L294-I322 HydrophobicContact CB-CG2 4.04Å; L294-I322 HydrophobicContact CD2-CG2 4.23Å; A296-I322 HydrophobicContact CB-CD1 3.94Å; I305-I322 HydrophobicContact CD1-CD1 3.57Å; H307-I322 VanDerWaalsContact CE1-CG1 3.5Å; H307-I322 WeakPolarHBondContact CE1-CG1 3.41Å; I322-V392 HydrophobicContact CD1-CG2 3.74Å; I322-V392 HydrophobicContact CG1-CG2 3.93Å; I322-V412 HydrophobicContact CD1-CG1 3.68Å; I322-V412 HydrophobicContact CG1-CG1 4.49Å
323W87.1Confident85.5Confident15 Ų1532.8 Ų32.86%0.05715%0.15CC..EExtended strand (participates in β ladder)trans-73.8138.1174.8-71.332.3000108.6W233 C269 L294 S295 H297 M321 Y325 H326 T351 Y507 N508W233-W323 HydrophobicContact CZ2-CH2 4Å; W233-W323 AromaticContact NE1-CH2 3.79Å; C269-W323 HydrophobicContact CB-CZ3 4.12Å; L294-W323 CarbonylContact C-O 3.53Å; L294-W323 WeakPolarHBondContact CA-O 3.18Å; L294-W323 PolarHBondContact N-O 3.05Å; S295-W323 PolarHBondContact N-O 3.27Å; S295-W323 PolarHBondContact O-N 3.1Å; H297-W323 VanDerWaalsContact CB-CD1 3.5Å; H297-W323 HydrophobicContact CB-CG 4.3Å; H297-W323 VanDerWaalsContact CB-NE1 3.34Å; H297-W323 AromaticContact CG-NE1 3.53Å; H297-W323 AromaticContact ND1-NE1 3.95Å; M321-W323 PolarHBondContact O-N 2.71Å; W323-Y325 PolarHBondContact O-N 3.31Å; W323-H326 HydrophobicContact CE3-CB 4.24Å; W323-H326 AromaticContact CE3-ND1 3.76Å; W323-H326 AromaticContact CZ3-ND1 3.62Å; W323-T351 HydrophobicContact CH2-CG2 4.47Å; W323-Y507 HydrophobicContact CE3-CD2 4.5Å; W323-Y507 AromaticContact CE3-CE2 3.65Å; W323-Y507 HydrophobicContact CE3-CE2 3.65Å; W323-Y507 AromaticContact CZ3-CE2 3.83Å; W323-Y507 HydrophobicContact CZ3-CE2 3.83Å; W323-Y507 AromaticContact CZ3-CZ 3.91Å; W323-Y507 WeakPolarHBondContact CZ3-OH 3.39Å; W323-N508 HydrophobicContact CD2-CB 3.79Å; W323-N508 HydrophobicContact CE3-CB 4.16Å; W323-N508 HydrophobicContact CG-CB 4.21Å; W323-N508 HydrophobicContact CH2-CB 4.42Å; W323-N508 HydrophobicContact CZ2-CB 4.07Å; W323-N508 HydrophobicContact CZ3-CB 4.47Å
324N89.9Confident86.7Confident2 Ų234.8 Ų34.81%0.01116%0.162CC..EExtended strand (participates in β ladder)trans-60.5-38.6179.3179.662.3000111G162 L294 Y507 L551 N572G162-N324 PolarHBondContact O-ND2 3.06Å; L294-N324 PolarHBondContact N-O 3.21Å; N324-Y507 WeakPolarHBondContact CB-O 3.01Å; N324-Y507 PolarHBondContact N-O 3.36Å; N324-L551 HydrophobicContact CB-CD1 4.28Å; N324-L551 WeakPolarHBondContact ND2-CD1 3.25Å; N324-N572 WeakPolarHBondContact OD1-CB 3.42Å; N324-N572 PolarHBondContact OD1-ND2 2.95Å
325Y94.9Very high87.6Confident1 Ų130.5 Ų30.50%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-150.2161.2160.267.1-86.5000110.3R161 G162 W270 T291 N292 W323 Y507R161-Y325 HydrophobicContact CB-CE1 4.21Å; R161-Y325 HydrophobicContact CB-CE2 4.41Å; R161-Y325 HydrophobicContact CG-CE2 3.94Å; R161-Y325 PolarHBondContact NE-OH 2.8Å; G162-Y325 VanDerWaalsContact O-CD1 3.29Å; G162-Y325 WeakPolarHBondContact O-CD1 3.45Å; W270-Y325 AromaticContact CE3-CE2 3.95Å; W270-Y325 HydrophobicContact CE3-CE2 3.95Å; W270-Y325 VanDerWaalsContact CE3-OH 3.29Å; W270-Y325 HydrophobicContact CZ3-CE2 4.39Å; W270-Y325 WeakPolarHBondContact CZ3-OH 3.4Å; T291-Y325 HydrophobicContact CG2-CD2 4Å; T291-Y325 HydrophobicContact CG2-CG 4.23Å; N292-Y325 CarbonylContact O-C 3.48Å; N292-Y325 WeakPolarHBondContact O-CA 3.25Å; N292-Y325 WeakPolarHBondContact O-CB 3.18Å; W323-Y325 PolarHBondContact O-N 3.31Å; Y325-Y507 HydrophobicContact CD1-CD2 4.22Å; Y325-Y507 HydrophobicContact CD2-CD2 4.35Å; Y325-Y507 AromaticContact CE1-CD2 3.78Å; Y325-Y507 HydrophobicContact CE1-CD2 3.78Å; Y325-Y507 AromaticContact CE1-CG 3.99Å; Y325-Y507 HydrophobicContact CE1-CG 3.99Å; Y325-Y507 AromaticContact CE2-CD2 3.93Å; Y325-Y507 HydrophobicContact CE2-CD2 3.93Å; Y325-Y507 HydrophobicContact CE2-CE2 4.28Å; Y325-Y507 HydrophobicContact CG-CD2 4.47Å; Y325-Y507 AromaticContact CZ-CD2 3.59Å; Y325-Y507 AromaticContact CZ-CG 3.93Å; Y325-Y507 WeakPolarHBondContact O-CD2 3.25Å
326H96.4Very high88.4Confident0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-135.6150.5172.9-175.440.4000110.1C269 T291 N292 S295 W323 W328 D349 T351 Q353 E387C269-H326 WeakPolarHBondContact CB-ND1 3.38Å; T291-H326 CarbonylContact C-O 3.51Å; T291-H326 WeakPolarHBondContact CA-O 3.46Å; N292-H326 PolarHBondContact N-O 2.89Å; N292-H326 PolarHBondContact O-N 3.27Å; S295-H326 WeakPolarHBondContact OG-CB 3.41Å; W323-H326 HydrophobicContact CE3-CB 4.24Å; W323-H326 AromaticContact CE3-ND1 3.76Å; W323-H326 AromaticContact CZ3-ND1 3.62Å; H326-W328 AromaticContact CD2-CE3 3.76Å; H326-D349 IonicContact CD2-OD2 3.69Å; H326-D349 IonicContact CE1-OD1 3.16Å; H326-D349 IonicContact CE1-OD2 3.87Å; H326-D349 PolarHBondContact CE1-OD2 2.98Å; H326-D349 IonicContact NE2-OD1 3.02Å; H326-D349 IonicContact NE2-OD2 2.67Å; H326-D349 PolarHBondContact NE2-OD2 3.47Å; H326-T351 PolarHBondContact CE1-OG1 3.4Å; H326-Q353 PolarHBondContact CE1-NE2 2.94Å; H326-Q353 PolarHBondContact NE2-NE2 3.46Å; H326-Q353 PolarHBondContact NE2-OE1 3.12Å; H326-Q353 VanDerWaalsContact NE2-OE1 3.14Å; H326-E387 IonicContact CD2-OE1 3.44Å; H326-E387 PolarHBondContact CD2-OE1 3.48Å; H326-E387 VanDerWaalsContact CD2-OE1 3.24Å; H326-E387 IonicContact CD2-OE2 3.47Å; H326-E387 PolarHBondContact CD2-OE2 3.37Å; H326-E387 IonicContact NE2-OE1 3.27Å; H326-E387 IonicContact NE2-OE2 3.96Å
327C98.3Very high89.1Confident0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans-128135.3-177-63.40000111.4C269 W270 A273 I290C269-C327 HydrophobicContact CB-CB 4.48Å; W270-C327 HydrophobicContact CB-CB 4.18Å; A273-C327 HydrophobicContact CB-CB 4.11Å; I290-C327 WeakPolarHBondContact O-CA 3.49Å; I290-C327 WeakPolarHBondContact O-CB 3.25Å
328W98.7Very high90.3Very high3 Ų332.2 Ų32.21%0.01116%0.16CC..EExtended strand (participates in β ladder)trans-139.5-171.5174.363.479.2000110.1I290 N292 H326 D349 E387 V388 Y433I290-W328 HydrophobicContact CB-CD2 4.45Å; I290-W328 HydrophobicContact CB-CG 4.34Å; I290-W328 HydrophobicContact CG2-CD2 4.47Å; I290-W328 HydrophobicContact CG2-CZ2 3.87Å; I290-W328 PolarHBondContact N-O 2.92Å; I290-W328 PolarHBondContact O-N 3.21Å; I290-W328 VanDerWaalsContact O-N 3.12Å; N292-W328 HydrophobicContact CB-CE3 4.42Å; N292-W328 HydrophobicContact CB-CH2 3.28Å; N292-W328 HydrophobicContact CB-CZ2 4.23Å; N292-W328 HydrophobicContact CB-CZ3 3.39Å; H326-W328 AromaticContact CD2-CE3 3.76Å; W328-D349 HydrophobicContact CB-CB 3.95Å; W328-E387 WeakPolarHBondContact CZ3-OE2 3.45Å; W328-V388 HydrophobicContact CH2-CG1 3.97Å; W328-Y433 HydrophobicContact CZ2-CD1 4.45Å; W328-Y433 AromaticContact CZ2-CE1 3.65Å; W328-Y433 HydrophobicContact CZ2-CE1 3.65Å; W328-Y433 HydrophobicContact CZ2-CE2 4.45Å; W328-Y433 AromaticContact CZ2-CZ 3.66Å; W328-Y433 AromaticContact NE1-CZ 3.84Å; W328-Y433 PolarHBondContact NE1-OH 2.94Å
329V98.9Very high91.4Very high4 Ų437.1 Ų37.12%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-120.1150.6175.7-64.50000112.9A273 A276 C277 R288 V289 S348A273-V329 HydrophobicContact CB-CG1 4.07Å; A273-V329 WeakPolarHBondContact O-CG1 3.48Å; A276-V329 HydrophobicContact CB-CG1 4.12Å; A276-V329 HydrophobicContact CB-CG2 4.24Å; C277-V329 HydrophobicContact CB-CG1 3.98Å; R288-V329 WeakPolarHBondContact O-CA 3Å; V289-V329 HydrophobicContact CG2-CG1 4.39Å; V329-S348 VanDerWaalsContact CG2-O 3.31Å; V329-S348 WeakPolarHBondContact CG2-O 3.5Å; V329-S348 PolarHBondContact N-O 3.09Å; V329-S348 PolarHBondContact O-N 3.13Å
330E98.9Very high92.7Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-109.8133.5164.6-77.3171.7-158.700109.9C287 R288 I290 W345 Q346 L367 I429 Y433C287-E330 VanDerWaalsContact CA-O 3.24Å; C287-E330 WeakPolarHBondContact CA-O 3.37Å; C287-E330 PolarHBondContact SG-O 3.4Å; R288-E330 HydrophobicContact CG-CB 3.96Å; R288-E330 IonicContact CZ-OE2 2.74Å; R288-E330 PolarHBondContact N-O 2.93Å; R288-E330 IonicContact NE-OE2 3.87Å; R288-E330 PolarHBondContact NE-OE2 3.48Å; R288-E330 IonicContact NH2-OE2 2.77Å; R288-E330 PolarHBondContact NH2-OE2 2.85Å; R288-E330 PolarHBondContact O-N 3.12Å; I290-E330 HydrophobicContact CD1-CB 4.43Å; I290-E330 HydrophobicContact CD1-CG 4.12Å; I290-E330 HydrophobicContact CG1-CB 4.19Å; I290-E330 HydrophobicContact CG1-CG 3.64Å; I290-E330 WeakPolarHBondContact CG1-OE1 3.31Å; E330-W345 HydrophobicContact CB-CB 4.49Å; E330-W345 HydrophobicContact CB-CD2 4.28Å; E330-W345 HydrophobicContact CB-CE3 3.69Å; E330-W345 HydrophobicContact CB-CZ3 4.31Å; E330-Q346 CarbonylContact C-O 3.48Å; E330-Q346 VanDerWaalsContact CA-O 3.28Å; E330-Q346 WeakPolarHBondContact CA-O 3.42Å; E330-L367 HydrophobicContact CG-CD1 3.85Å; E330-L367 WeakPolarHBondContact OE1-CD2 3.34Å; E330-I429 WeakPolarHBondContact OE1-CD1 3.41Å; E330-Y433 WeakPolarHBondContact OE1-CE2 3.29Å; E330-Y433 VanDerWaalsContact OE1-CZ 3.25Å; E330-Y433 PolarHBondContact OE1-OH 3.36Å
331S98.8Very high94.1Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-118.3133.9175.4-62.50000110.2P286 Q346P286-S331 WeakPolarHBondContact O-CA 3.34Å; S331-Q346 PolarHBondContact N-O 2.88Å; S331-Q346 PolarHBondContact O-N 3.17Å
332W98.8Very high95.3Very high72 Ų7235.4 Ų35.427%0.27319%0.188SC..EExtended strand (participates in β ladder)trans-86.5120.5179.9-178.2-91.4000111Y141 M142 P286 G344 W345Y141-W332 PolarHBondContact O-NE1 2.89Å; M142-W332 HydrophobicContact CE-CB 3.59Å; M142-W332 HydrophobicContact CE-CD2 3.56Å; M142-W332 HydrophobicContact CE-CE3 4.03Å; M142-W332 HydrophobicContact CE-CG 3.34Å; P286-W332 HydrophobicContact CB-CB 3.99Å; P286-W332 HydrophobicContact CG-CB 4.29Å; P286-W332 PolarHBondContact O-N 2.91Å; W332-G344 VanDerWaalsContact CE3-CA 3.47Å; W332-G344 VanDerWaalsContact CZ3-CA 3.45Å; W332-W345 HydrophobicContact CB-CE3 3.96Å; W332-W345 HydrophobicContact CB-CH2 4.2Å; W332-W345 HydrophobicContact CB-CZ3 3.79Å; W332-W345 AromaticContact CE3-CD1 3.94Å; W332-W345 AromaticContact CE3-CD2 3.83Å; W332-W345 HydrophobicContact CE3-CD2 3.83Å; W332-W345 AromaticContact CE3-CE2 3.78Å; W332-W345 HydrophobicContact CE3-CE3 4.41Å; W332-W345 AromaticContact CE3-CG 3.95Å; W332-W345 HydrophobicContact CE3-CG 3.95Å; W332-W345 HydrophobicContact CE3-CZ2 4.32Å; W332-W345 AromaticContact CE3-NE1 3.82Å; W332-W345 AromaticContact CZ3-CD1 3.95Å; W332-W345 HydrophobicContact CZ3-CG 4.34Å; W332-W345 AromaticContact CZ3-NE1 3.94Å
333M98.8Very high96.1Very high0 Ų037.7 Ų37.70%020%0.2CC..EExtended strand (participates in β ladder)trans-162.2163.8175.566.5-161.874.900112.5A139 V140 P209 I210 T213 I285 G344 Q346A139-M333 CarbonylContact O-C 3.27Å; A139-M333 VanDerWaalsContact O-CA 3.23Å; A139-M333 WeakPolarHBondContact O-CA 3.26Å; V140-M333 HydrophobicContact CG1-CB 4.28Å; P209-M333 HydrophobicContact CB-CB 4.17Å; P209-M333 HydrophobicContact CB-CE 4.39Å; P209-M333 HydrophobicContact CB-SD 4Å; P209-M333 HydrophobicContact CG-CB 3.86Å; P209-M333 HydrophobicContact CG-CG 4.49Å; P209-M333 HydrophobicContact CG-SD 4.19Å; I210-M333 HydrophobicContact CB-SD 4.41Å; I210-M333 HydrophobicContact CG1-SD 3.76Å; T213-M333 HydrophobicContact CG2-CE 4.48Å; T213-M333 WeakPolarHBondContact OG1-CE 3.38Å; I285-M333 HydrophobicContact CG2-CE 4.41Å; M333-G344 PolarHBondContact N-O 3.35Å; M333-G344 PolarHBondContact O-N 3.49Å; M333-G344 VanDerWaalsContact O-O 3.1Å; M333-Q346 HydrophobicContact CE-CB 4.49Å; M333-Q346 HydrophobicContact CE-CG 4.18Å; M333-Q346 HydrophobicContact CG-CG 3.6Å; M333-Q346 HydrophobicContact SD-CG 4.07Å
334T98.4Very high96.6Very high47 Ų4737.1 Ų37.129%0.28820%0.2SC..  trans-77156165.561.20000112A139 P336 D343A139-T334 WeakPolarHBondContact CA-OG1 3.47Å; A139-T334 WeakPolarHBondContact CB-OG1 3.3Å; A139-T334 PolarHBondContact O-N 2.78Å; T334-P336 VanDerWaalsContact C-CD 3.42Å; T334-P336 WeakPolarHBondContact O-CD 3.27Å; T334-D343 VanDerWaalsContact CA-OD1 3.26Å; T334-D343 WeakPolarHBondContact CA-OD1 3.13Å; T334-D343 WeakPolarHBondContact CB-OD1 3.49Å; T334-D343 HydrophobicContact CG2-CB 4.36Å
335R97.7Very high97.1Very high1 Ų138.7 Ų38.70%0.00421%0.206CC..  trans-120.570.7179-69.3-60-56.1-88.9-0.2110.3D337 L338 F342 D343 Q346 P364 P366 K378R335-D337 WeakPolarHBondContact CA-OD1 3.43Å; R335-D337 IonicContact CZ-OD1 2.97Å; R335-D337 IonicContact CZ-OD2 2.91Å; R335-D337 IonicContact NE-OD1 3.12Å; R335-D337 PolarHBondContact NE-OD1 2.72Å; R335-D337 IonicContact NE-OD2 3.8Å; R335-D337 IonicContact NH2-OD1 3.84Å; R335-D337 IonicContact NH2-OD2 3.98Å; R335-D337 PolarHBondContact NH2-OD2 3.23Å; R335-D337 PolarHBondContact O-N 3.12Å; R335-L338 HydrophobicContact CB-CB 4.07Å; R335-L338 HydrophobicContact CB-CD1 4.28Å; R335-L338 HydrophobicContact CB-CG 4.32Å; R335-L338 HydrophobicContact CG-CD1 4.5Å; R335-L338 CarbonylContact O-C 3.57Å; R335-L338 WeakPolarHBondContact O-CA 3.34Å; R335-L338 PolarHBondContact O-N 2.87Å; R335-L338 VanDerWaalsContact O-O 3.1Å; R335-F342 WeakPolarHBondContact CG-O 3.47Å; R335-D343 PolarHBondContact N-OD1 3.4Å; R335-Q346 VanDerWaalsContact CG-OE1 3.28Å; R335-Q346 VanDerWaalsContact NH1-OE1 3.13Å; R335-P364 PolarHBondContact NH1-O 3.29Å; R335-P364 VanDerWaalsContact NH1-O 3.15Å; R335-P366 HydrophobicContact CG-CG 4.38Å; R335-P366 VanDerWaalsContact NH1-CD 3.31Å; R335-K378 PolarHBondContact NH1-O 3.16Å; R335-K378 PolarHBondContact NH2-O 3.46Å
336P96.4Very high97.2Very high104 Ų10438.7 Ų38.768%0.67521%0.205SC*.THydrogen-bonded Turntrans-64.7-12179.328.5-37000113.6T334 L338T334-P336 VanDerWaalsContact C-CD 3.42Å; T334-P336 WeakPolarHBondContact O-CD 3.27Å; P336-L338 VanDerWaalsContact C-N 3.31Å
337D95.8Very high97.3Very high79 Ų7938.7 Ų38.742%0.42221%0.206SC..THydrogen-bonded Turntrans-80.7-10.3170.161.9-44.5000113.4I210 R335I210-D337 VanDerWaalsContact CD1-OD1 3.23Å; I210-D337 WeakPolarHBondContact CD1-OD1 3.36Å; R335-D337 WeakPolarHBondContact CA-OD1 3.43Å; R335-D337 IonicContact CZ-OD1 2.97Å; R335-D337 IonicContact CZ-OD2 2.91Å; R335-D337 IonicContact NE-OD1 3.12Å; R335-D337 PolarHBondContact NE-OD1 2.72Å; R335-D337 IonicContact NE-OD2 3.8Å; R335-D337 IonicContact NH2-OD1 3.84Å; R335-D337 IonicContact NH2-OD2 3.98Å; R335-D337 PolarHBondContact NH2-OD2 3.23Å; R335-D337 PolarHBondContact O-N 3.12Å
338L95.8Very high97.3Very high39 Ų3938.8 Ų38.820%0.20421%0.206CC..SBendtrans-124.5-172.2176.6-56.8-179.4000110.6R335 P336 F342 P366 F377R335-L338 HydrophobicContact CB-CB 4.07Å; R335-L338 HydrophobicContact CB-CD1 4.28Å; R335-L338 HydrophobicContact CB-CG 4.32Å; R335-L338 HydrophobicContact CG-CD1 4.5Å; R335-L338 CarbonylContact O-C 3.57Å; R335-L338 WeakPolarHBondContact O-CA 3.34Å; R335-L338 PolarHBondContact O-N 2.87Å; R335-L338 VanDerWaalsContact O-O 3.1Å; P336-L338 VanDerWaalsContact C-N 3.31Å; L338-F342 HydrophobicContact CB-CB 4.33Å; L338-F342 HydrophobicContact CD1-CB 4.17Å; L338-P366 HydrophobicContact CD1-CG 3.74Å; L338-F377 HydrophobicContact CD1-CD2 3.91Å; L338-F377 HydrophobicContact CD1-CG 4.5Å; L338-F377 HydrophobicContact CD2-CD2 4.16Å; L338-F377 HydrophobicContact CD2-CG 4.22Å
339K92.3Very high97.3Very high141 Ų14138.8 Ų38.861%0.61321%0.207SC*.  trans-74.5150.2173.3-60.5177.4-177.4174.10110.4D341 F342K339-D341 PolarHBondContact O-N 3.03Å; K339-F342 HydrophobicContact CB-CD2 4.04Å; K339-F342 HydrophobicContact CB-CE2 4.29Å; K339-F342 PolarHBondContact O-N 3.03Å
340P92.6Very high97.2Very high106 Ų10638.6 Ų38.669%0.68821%0.205SC*.G310 helixtrans-55.3-26.7-179.6-2735.1000114.7F342 D343P340-F342 PolarHBondContact O-N 3.1Å; P340-D343 WeakPolarHBondContact O-CB 3.47Å; P340-D343 VanDerWaalsContact O-CG 3.24Å; P340-D343 PolarHBondContact O-N 3.2Å; P340-D343 VanDerWaalsContact O-N 3.09Å
341D94.6Very high97Very high96 Ų9638.9 Ų38.951%0.51321%0.207SC..G310 helixtrans-57.4-15.4174.7-87.2-23.4000115.1K339 R368K339-D341 PolarHBondContact O-N 3.03Å; D341-R368 WeakPolarHBondContact O-CD 3.22Å; D341-R368 PolarHBondContact O-NH1 2.86Å; D341-R368 IonicContact OD1-NH1 2.78Å; D341-R368 PolarHBondContact OD1-NH1 3.29Å; D341-R368 VanDerWaalsContact OD1-NH1 3.12Å; D341-R368 IonicContact OD2-NH1 3.78Å
342F97.4Very high96.5Very high12 Ų1239.8 Ų39.85%0.05321%0.213CC..G310 helixtrans-106.38.8-178.8-63.7-82.8000113.5R335 L338 K339 P340 Q346 P366 R368 A369 E374 F377R335-F342 WeakPolarHBondContact CG-O 3.47Å; L338-F342 HydrophobicContact CB-CB 4.33Å; L338-F342 HydrophobicContact CD1-CB 4.17Å; K339-F342 HydrophobicContact CB-CD2 4.04Å; K339-F342 HydrophobicContact CB-CE2 4.29Å; K339-F342 PolarHBondContact O-N 3.03Å; P340-F342 PolarHBondContact O-N 3.1Å; F342-Q346 PolarHBondContact O-NE2 3.02Å; F342-P366 HydrophobicContact CB-CB 3.96Å; F342-P366 HydrophobicContact CB-CG 3.78Å; F342-P366 HydrophobicContact CD1-CB 3.96Å; F342-P366 HydrophobicContact CD1-CG 4.1Å; F342-P366 HydrophobicContact CG-CB 4.46Å; F342-P366 HydrophobicContact CG-CG 4.33Å; F342-R368 HydrophobicContact CD1-CB 4.1Å; F342-R368 HydrophobicContact CD1-CG 4.39Å; F342-R368 HydrophobicContact CE1-CB 4.29Å; F342-R368 HydrophobicContact CE1-CG 4.17Å; F342-A369 HydrophobicContact CD1-CB 4.09Å; F342-A369 HydrophobicContact CE1-CB 4.04Å; F342-E374 HydrophobicContact CE1-CG 4.4Å; F342-E374 HydrophobicContact CZ-CG 4.31Å; F342-F377 HydrophobicContact CD1-CD2 4.33Å; F342-F377 HydrophobicContact CD1-CE2 4.12Å; F342-F377 AromaticContact CD2-CE2 3.93Å; F342-F377 HydrophobicContact CD2-CE2 3.93Å; F342-F377 HydrophobicContact CE1-CD2 4.19Å; F342-F377 AromaticContact CE1-CE2 3.74Å; F342-F377 HydrophobicContact CE1-CE2 3.74Å; F342-F377 AromaticContact CE2-CE2 3.56Å; F342-F377 HydrophobicContact CE2-CE2 3.56Å; F342-F377 HydrophobicContact CE2-CZ 4.21Å; F342-F377 HydrophobicContact CG-CE2 4.21Å; F342-F377 HydrophobicContact CZ-CD2 4.34Å; F342-F377 AromaticContact CZ-CE2 3.45Å; F342-F377 HydrophobicContact CZ-CE2 3.45Å; F342-F377 VanDerWaalsContact CZ-CE2 3.45Å; F342-F377 HydrophobicContact CZ-CZ 4.2Å
343D97.7Very high95.6Very high69 Ų6937.1 Ų37.137%0.36920%0.204SC..  trans-64.7159.4166.6-65.9-11.9000110.8T334 R335 P340T334-D343 VanDerWaalsContact CA-OD1 3.26Å; T334-D343 WeakPolarHBondContact CA-OD1 3.13Å; T334-D343 WeakPolarHBondContact CB-OD1 3.49Å; T334-D343 HydrophobicContact CG2-CB 4.36Å; R335-D343 PolarHBondContact N-OD1 3.4Å; P340-D343 WeakPolarHBondContact O-CB 3.47Å; P340-D343 VanDerWaalsContact O-CG 3.24Å; P340-D343 PolarHBondContact O-N 3.2Å; P340-D343 VanDerWaalsContact O-N 3.09Å
344G98.3Very high94.8Very high4 Ų440 Ų404%0.04122%0.217CC..EExtended strand (participates in β ladder)trans108.5-137.617700000112.4W332 M333 Q346W332-G344 VanDerWaalsContact CE3-CA 3.47Å; W332-G344 VanDerWaalsContact CZ3-CA 3.45Å; M333-G344 PolarHBondContact N-O 3.35Å; M333-G344 PolarHBondContact O-N 3.49Å; M333-G344 VanDerWaalsContact O-O 3.1Å; G344-Q346 PolarHBondContact O-N 3.5Å; G344-Q346 PolarHBondContact O-NE2 3.4Å
345W98.8Very high94.2Very high35 Ų3542.3 Ų42.313%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-69.9127.3-176-69.1118.5000113M142 Y151 R288 E330 W332 L367M142-W345 HydrophobicContact CE-CH2 4.13Å; M142-W345 HydrophobicContact CE-CZ2 4.12Å; Y151-W345 HydrophobicContact CD1-CH2 4.3Å; Y151-W345 AromaticContact CD2-CH2 3.73Å; Y151-W345 HydrophobicContact CD2-CH2 3.73Å; Y151-W345 AromaticContact CD2-CZ2 3.81Å; Y151-W345 HydrophobicContact CD2-CZ2 3.81Å; Y151-W345 HydrophobicContact CE1-CH2 4.49Å; Y151-W345 AromaticContact CE2-CH2 3.97Å; Y151-W345 HydrophobicContact CE2-CH2 3.97Å; Y151-W345 AromaticContact CE2-CZ2 3.59Å; Y151-W345 HydrophobicContact CE2-CZ2 3.59Å; Y151-W345 AromaticContact CG-CH2 3.91Å; Y151-W345 HydrophobicContact CG-CH2 3.91Å; Y151-W345 HydrophobicContact CG-CZ2 4.4Å; Y151-W345 AromaticContact CZ-CZ2 3.98Å; R288-W345 HydrophobicContact CG-CH2 4.07Å; R288-W345 HydrophobicContact CG-CZ3 4.06Å; E330-W345 HydrophobicContact CB-CB 4.49Å; E330-W345 HydrophobicContact CB-CD2 4.28Å; E330-W345 HydrophobicContact CB-CE3 3.69Å; E330-W345 HydrophobicContact CB-CZ3 4.31Å; W332-W345 HydrophobicContact CB-CE3 3.96Å; W332-W345 HydrophobicContact CB-CH2 4.2Å; W332-W345 HydrophobicContact CB-CZ3 3.79Å; W332-W345 AromaticContact CE3-CD1 3.94Å; W332-W345 AromaticContact CE3-CD2 3.83Å; W332-W345 HydrophobicContact CE3-CD2 3.83Å; W332-W345 AromaticContact CE3-CE2 3.78Å; W332-W345 HydrophobicContact CE3-CE3 4.41Å; W332-W345 AromaticContact CE3-CG 3.95Å; W332-W345 HydrophobicContact CE3-CG 3.95Å; W332-W345 HydrophobicContact CE3-CZ2 4.32Å; W332-W345 AromaticContact CE3-NE1 3.82Å; W332-W345 AromaticContact CZ3-CD1 3.95Å; W332-W345 HydrophobicContact CZ3-CG 4.34Å; W332-W345 AromaticContact CZ3-NE1 3.94Å; W345-L367 HydrophobicContact CB-CD1 4.13Å; W345-L367 HydrophobicContact CB-CD2 3.98Å; W345-L367 PolarHBondContact O-N 2.87Å; W345-L367 VanDerWaalsContact O-N 3.08Å
346Q98.8Very high93.7Very high0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-118.1120.4176.8-41.5-64.6-5700110.2E330 S331 M333 R335 F342 G344 P364 I365 P366E330-Q346 CarbonylContact C-O 3.48Å; E330-Q346 VanDerWaalsContact CA-O 3.28Å; E330-Q346 WeakPolarHBondContact CA-O 3.42Å; S331-Q346 PolarHBondContact N-O 2.88Å; S331-Q346 PolarHBondContact O-N 3.17Å; M333-Q346 HydrophobicContact CE-CB 4.49Å; M333-Q346 HydrophobicContact CE-CG 4.18Å; M333-Q346 HydrophobicContact CG-CG 3.6Å; M333-Q346 HydrophobicContact SD-CG 4.07Å; R335-Q346 VanDerWaalsContact CG-OE1 3.28Å; R335-Q346 VanDerWaalsContact NH1-OE1 3.13Å; F342-Q346 PolarHBondContact O-NE2 3.02Å; G344-Q346 PolarHBondContact O-N 3.5Å; G344-Q346 PolarHBondContact O-NE2 3.4Å; Q346-P364 HydrophobicContact CB-CB 3.72Å; Q346-P364 HydrophobicContact CG-CB 4.47Å; Q346-I365 CarbonylContact C-O 3.56Å; Q346-I365 WeakPolarHBondContact CA-O 3.27Å; Q346-P366 VanDerWaalsContact OE1-CA 3.26Å; Q346-P366 VanDerWaalsContact OE1-CG 3.27Å
347A98.7Very high93.2Very high1 Ų144.6 Ų44.61%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-73.3135.117500000110.5P364 I365 L367 V384 Y433A347-P364 CarbonylContact O-C 3.57Å; A347-P364 VanDerWaalsContact O-CA 3.31Å; A347-P364 WeakPolarHBondContact O-CA 3.44Å; A347-I365 HydrophobicContact CB-CG2 3.96Å; A347-I365 PolarHBondContact N-O 3.26Å; A347-I365 PolarHBondContact O-N 3.05Å; A347-L367 HydrophobicContact CB-CD1 3.92Å; A347-V384 HydrophobicContact CB-CG1 4.27Å; A347-Y433 HydrophobicContact CB-CE1 4.48Å
348S97.9Very high92.7Very high1 Ų143.1 Ų43.11%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-143.5132.2172.9-57.40000109T213 V329 P364T213-S348 WeakPolarHBondContact CG2-OG 3.23Å; V329-S348 VanDerWaalsContact CG2-O 3.31Å; V329-S348 WeakPolarHBondContact CG2-O 3.5Å; V329-S348 PolarHBondContact N-O 3.09Å; V329-S348 PolarHBondContact O-N 3.13Å; S348-P364 VanDerWaalsContact OG-CA 3.27Å; S348-P364 WeakPolarHBondContact OG-CA 3.48Å; S348-P364 WeakPolarHBondContact OG-CB 3.44Å
349D97.6Very high92.3Very high4 Ų443.9 Ų43.92%0.02124%0.235CC..  trans-111.6113.3-179.3-171.61.4000110.9H326 W328 T351 Q353 C362H326-D349 IonicContact CD2-OD2 3.69Å; H326-D349 IonicContact CE1-OD1 3.16Å; H326-D349 IonicContact CE1-OD2 3.87Å; H326-D349 PolarHBondContact CE1-OD2 2.98Å; H326-D349 IonicContact NE2-OD1 3.02Å; H326-D349 IonicContact NE2-OD2 2.67Å; H326-D349 PolarHBondContact NE2-OD2 3.47Å; W328-D349 HydrophobicContact CB-CB 3.95Å; D349-T351 VanDerWaalsContact C-N 3.27Å; D349-T351 WeakPolarHBondContact OD1-CB 3.4Å; D349-T351 PolarHBondContact OD1-N 2.74Å; D349-T351 PolarHBondContact OD1-OG1 2.89Å; D349-Q353 PolarHBondContact OD2-OE1 3.49Å; D349-C362 HydrophobicContact CB-CB 3.9Å; D349-C362 PolarHBondContact N-O 2.93Å; D349-C362 WeakPolarHBondContact O-CB 3.44Å
350P96.6Very high92.2Very high0 Ų040.1 Ų40.10%022%0.218CC..  trans-79.6-6.4175.132.8-35.4000113.7S217 V220 N221 F272 A276S217-P350 WeakPolarHBondContact O-CA 3.28Å; V220-P350 HydrophobicContact CB-CB 3.91Å; V220-P350 HydrophobicContact CG1-CB 3.81Å; V220-P350 HydrophobicContact CG1-CG 4.47Å; N221-P350 PolarHBondContact ND2-O 2.9Å; F272-P350 HydrophobicContact CB-CB 4.15Å; F272-P350 HydrophobicContact CB-CG 3.81Å; A276-P350 HydrophobicContact CB-CB 4.18Å; A276-P350 HydrophobicContact CB-CG 3.88Å
351T94.9Very high92.1Very high6 Ų635.5 Ų35.54%0.03719%0.188CC..SBendtrans-72.1128.5178.1-48.50000109.5W233 C269 F272 W323 H326 D349 Q353W233-T351 HydrophobicContact CH2-CG2 4.23Å; W233-T351 HydrophobicContact CZ2-CG2 4.12Å; C269-T351 WeakPolarHBondContact CA-OG1 3.4Å; C269-T351 HydrophobicContact CB-CG2 4.07Å; C269-T351 WeakPolarHBondContact CB-OG1 3.05Å; F272-T351 HydrophobicContact CD2-CG2 4.32Å; W323-T351 HydrophobicContact CH2-CG2 4.47Å; H326-T351 PolarHBondContact CE1-OG1 3.4Å; D349-T351 VanDerWaalsContact C-N 3.27Å; D349-T351 WeakPolarHBondContact OD1-CB 3.4Å; D349-T351 PolarHBondContact OD1-N 2.74Å; D349-T351 PolarHBondContact OD1-OG1 2.89Å; T351-Q353 VanDerWaalsContact C-N 3.3Å; T351-Q353 HydrophobicContact CG2-CG 3.89Å; T351-Q353 PolarHBondContact O-N 3.28Å
352P89.1Confident92.1Very high18 Ų1831.4 Ų31.412%0.11717%0.166CC..  trans-78.980.4-176.232.1-35.3000111.3N221 N223 Y360N221-P352 HydrophobicContact CB-CB 4.13Å; N221-P352 HydrophobicContact CB-CG 3.93Å; N223-P352 HydrophobicContact CB-CB 4.34Å; N223-P352 VanDerWaalsContact ND2-CB 3.28Å; N223-P352 WeakPolarHBondContact ND2-CB 3.3Å; P352-Y360 HydrophobicContact CB-CD1 3.84Å; P352-Y360 HydrophobicContact CB-CG 3.87Å
353Q80.4Confident92Very high17 Ų1730.8 Ų30.88%0.07916%0.164CC..  trans-96.7-60.3-179.3-68.8178.3-44.400110.9H297 H326 D349 T351 F383 E387H297-Q353 PolarHBondContact CD2-NE2 3.47Å; H297-Q353 VanDerWaalsContact NE2-CB 3.25Å; H297-Q353 WeakPolarHBondContact NE2-CB 3.5Å; H297-Q353 WeakPolarHBondContact NE2-CG 3.44Å; H326-Q353 PolarHBondContact CE1-NE2 2.94Å; H326-Q353 PolarHBondContact NE2-NE2 3.46Å; H326-Q353 PolarHBondContact NE2-OE1 3.12Å; H326-Q353 VanDerWaalsContact NE2-OE1 3.14Å; D349-Q353 PolarHBondContact OD2-OE1 3.49Å; T351-Q353 VanDerWaalsContact C-N 3.3Å; T351-Q353 HydrophobicContact CG2-CG 3.89Å; T351-Q353 PolarHBondContact O-N 3.28Å; Q353-F383 HydrophobicContact CB-CE2 4.37Å; Q353-F383 HydrophobicContact CB-CZ 3.75Å; Q353-F383 HydrophobicContact CG-CZ 4.5Å; Q353-F383 VanDerWaalsContact OE1-CZ 3.23Å; Q353-E387 PolarHBondContact OE1-OE1 3.01Å
354E81.9Confident92Very high61 Ų6127.5 Ų27.529%0.28515%0.146SC..SBendtrans-124.1155.4-179.4-76.8-58.1142.800112.7T299 F383T299-E354 WeakPolarHBondContact CA-OE1 3.41Å; T299-E354 VanDerWaalsContact CB-OE1 3.25Å; T299-E354 WeakPolarHBondContact CB-OE1 3.35Å; E354-F383 HydrophobicContact CB-CD2 4.05Å; E354-F383 HydrophobicContact CB-CE2 4.01Å; E354-F383 HydrophobicContact CG-CD2 3.75Å; E354-F383 HydrophobicContact CG-CE2 3.55Å; E354-F383 HydrophobicContact CG-CZ 4.47Å
355K85.8Confident92Very high94 Ų9427.3 Ų27.341%0.40914%0.144SC..EExtended strand (participates in β ladder)trans-92.5116.7178.5-73.4-173.1164.9-125.30110.9D224 G358 V359 Y360D224-K355 IonicContact OD1-NZ 3.91Å; D224-K355 PolarHBondContact OD1-NZ 3.12Å; K355-G358 WeakPolarHBondContact CD-O 3.45Å; K355-G358 PolarHBondContact NZ-O 3.37Å; K355-V359 CarbonylContact C-O 3.53Å; K355-V359 WeakPolarHBondContact CA-O 3.04Å; K355-Y360 HydrophobicContact CD-CD2 4.48Å; K355-Y360 HydrophobicContact CD-CE2 4.18Å; K355-Y360 VanDerWaalsContact CE-CD2 3.47Å; K355-Y360 HydrophobicContact CG-CD1 3.9Å; K355-Y360 HydrophobicContact CG-CD2 4.12Å; K355-Y360 HydrophobicContact CG-CE1 3.82Å; K355-Y360 HydrophobicContact CG-CE2 4.07Å; K355-Y360 HydrophobicContact CG-CG 4.05Å
356S86.9Confident92Very high11 Ų1125.7 Ų25.78%0.07714%0.138CC..EExtended strand (participates in β ladder)trans-92.2118.8167.1-172.80000110.1R214 G358 V359 C361 D380R214-S356 PolarHBondContact NH2-OG 3.42Å; S356-G358 PolarHBondContact O-N 3.28Å; S356-G358 VanDerWaalsContact O-N 3.12Å; S356-V359 PolarHBondContact N-O 3.49Å; S356-V359 PolarHBondContact O-N 3.36Å; S356-C361 WeakPolarHBondContact CB-O 3.35Å; S356-D380 WeakPolarHBondContact CB-OD1 3.38Å; S356-D380 VanDerWaalsContact OG-CG 3.31Å; S356-D380 PolarHBondContact OG-OD1 3.29Å; S356-D380 PolarHBondContact OG-OD2 2.89Å
357E85.5Confident91.9Very high142 Ų14226.2 Ų26.266%0.66414%0.141SC*.THydrogen-bonded Turntrans52.834.2-177.9-60.3175.416700112.7R214 K378R214-E357 IonicContact NH2-OE2 3.84Å; E357-K378 IonicContact OE1-NZ 2.65Å; E357-K378 PolarHBondContact OE1-NZ 3.05Å; E357-K378 VanDerWaalsContact OE1-NZ 3.16Å
358G85.3Confident91.9Very high48 Ų4831 Ų3150%0.49516%0.159SC..THydrogen-bonded Turntrans88.1-2.6178.300000115.9K355 S356K355-G358 WeakPolarHBondContact CD-O 3.45Å; K355-G358 PolarHBondContact NZ-O 3.37Å; S356-G358 PolarHBondContact O-N 3.28Å; S356-G358 VanDerWaalsContact O-N 3.12Å
359V88Confident91.9Very high55 Ų5531 Ų3133%0.33316%0.159SC..EExtended strand (participates in β ladder)trans-116.6138.6-178.5-178.60000110.2A218 D224 K355 S356 C361A218-V359 HydrophobicContact CB-CG1 4.18Å; D224-V359 WeakPolarHBondContact OD2-CA 3.35Å; K355-V359 CarbonylContact C-O 3.53Å; K355-V359 WeakPolarHBondContact CA-O 3.04Å; S356-V359 PolarHBondContact N-O 3.49Å; S356-V359 PolarHBondContact O-N 3.36Å; V359-C361 VanDerWaalsContact C-N 3.26Å; V359-C361 HydrophobicContact CG1-CB 4.4Å; V359-C361 PolarHBondContact O-N 3.28Å
360Y88.7Confident91.9Very high63 Ų6330.8 Ų30.825%0.24716%0.158CC..EExtended strand (participates in β ladder)trans-69.282.2172.3-77.6-69.3000110.8N221 N223 D224 P352 K355N221-Y360 PolarHBondContact ND2-O 3.18Å; N223-Y360 HydrophobicContact CB-CD2 3.4Å; N223-Y360 HydrophobicContact CB-CE2 3.91Å; N223-Y360 HydrophobicContact CB-CG 4.08Å; D224-Y360 WeakPolarHBondContact OD2-CD2 3.49Å; D224-Y360 PolarHBondContact OD2-N 2.95Å; P352-Y360 HydrophobicContact CB-CD1 3.84Å; P352-Y360 HydrophobicContact CB-CG 3.87Å; K355-Y360 HydrophobicContact CD-CD2 4.48Å; K355-Y360 HydrophobicContact CD-CE2 4.18Å; K355-Y360 VanDerWaalsContact CE-CD2 3.47Å; K355-Y360 HydrophobicContact CG-CD1 3.9Å; K355-Y360 HydrophobicContact CG-CD2 4.12Å; K355-Y360 HydrophobicContact CG-CE1 3.82Å; K355-Y360 HydrophobicContact CG-CE2 4.07Å; K355-Y360 HydrophobicContact CG-CG 4.05Å
361C90.8Very high92Very high9 Ų933.2 Ų33.26%0.06117%0.168CC..  trans-149.9148.1175.267.10000109.2A218 S356 V359A218-C361 HydrophobicContact CB-CB 3.82Å; S356-C361 WeakPolarHBondContact CB-O 3.35Å; V359-C361 VanDerWaalsContact C-N 3.26Å; V359-C361 HydrophobicContact CG1-CB 4.4Å; V359-C361 PolarHBondContact O-N 3.28Å
362C94.8Very high92.1Very high9 Ų935.3 Ų35.36%0.06118%0.178CC..  trans-135.3138.3177.4-176.70000110.8S217 D349 D380S217-C362 WeakPolarHBondContact CB-O 3.31Å; S217-C362 PolarHBondContact OG-O 2.9Å; D349-C362 HydrophobicContact CB-CB 3.9Å; D349-C362 PolarHBondContact N-O 2.93Å; D349-C362 WeakPolarHBondContact O-CB 3.44Å; C362-D380 WeakPolarHBondContact CA-OD2 3.39Å
363G95.6Very high92.3Very high0 Ų034.5 Ų34.50%017%0.173CC..  trans80-171.2177.500000113.9R214 D380R214-G363 PolarHBondContact NH1-O 3.32Å; G363-D380 PolarHBondContact N-OD2 3.23Å
364P97.8Very high93Very high0 Ų035.6 Ų35.60%018%0.178CC..  cis-78133.81.329.2-34.5000114.3I210 T213 R335 Q346 A347 S348 Y379I210-P364 HydrophobicContact CB-CG 4.39Å; I210-P364 HydrophobicContact CG2-CG 3.77Å; T213-P364 HydrophobicContact CG2-CB 4.07Å; T213-P364 HydrophobicContact CG2-CG 4.32Å; R335-P364 PolarHBondContact NH1-O 3.29Å; R335-P364 VanDerWaalsContact NH1-O 3.15Å; Q346-P364 HydrophobicContact CB-CB 3.72Å; Q346-P364 HydrophobicContact CG-CB 4.47Å; A347-P364 CarbonylContact O-C 3.57Å; A347-P364 VanDerWaalsContact O-CA 3.31Å; A347-P364 WeakPolarHBondContact O-CA 3.44Å; S348-P364 VanDerWaalsContact OG-CA 3.27Å; S348-P364 WeakPolarHBondContact OG-CA 3.48Å; S348-P364 WeakPolarHBondContact OG-CB 3.44Å; P364-Y379 HydrophobicContact CG-CD2 4.39Å; P364-Y379 PolarHBondContact O-N 3.11Å
365I98.1Very high93.5Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-117.6136.3174.2-167.265000112Q346 A347 L367 A369 I370 F377 Y379 A381 V384Q346-I365 CarbonylContact C-O 3.56Å; Q346-I365 WeakPolarHBondContact CA-O 3.27Å; A347-I365 HydrophobicContact CB-CG2 3.96Å; A347-I365 PolarHBondContact N-O 3.26Å; A347-I365 PolarHBondContact O-N 3.05Å; I365-L367 PolarHBondContact O-N 3.11Å; I365-A369 HydrophobicContact CD1-CB 4.21Å; I365-A369 HydrophobicContact CG1-CB 4.29Å; I365-I370 HydrophobicContact CG1-CD1 3.87Å; I365-I370 HydrophobicContact CG1-CG1 4.27Å; I365-I370 HydrophobicContact CG2-CD1 4.03Å; I365-I370 HydrophobicContact CG2-CG1 4.06Å; I365-F377 HydrophobicContact CD1-CB 4.12Å; I365-Y379 VanDerWaalsContact CB-O 3.27Å; I365-Y379 WeakPolarHBondContact CB-O 3.42Å; I365-A381 HydrophobicContact CD1-CB 3.57Å; I365-A381 HydrophobicContact CG1-CB 3.87Å; I365-V384 HydrophobicContact CG2-CB 4.06Å; I365-V384 HydrophobicContact CG2-CG1 4.09Å; I365-V384 HydrophobicContact CG2-CG2 3.88Å
366P98.6Very high93.9Very high1 Ų135.8 Ų35.81%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-64.7135.9178-14.528.6000110.6R335 L338 F342 Q346 R368 A369 I370R335-P366 HydrophobicContact CG-CG 4.38Å; R335-P366 VanDerWaalsContact NH1-CD 3.31Å; L338-P366 HydrophobicContact CD1-CG 3.74Å; F342-P366 HydrophobicContact CB-CB 3.96Å; F342-P366 HydrophobicContact CB-CG 3.78Å; F342-P366 HydrophobicContact CD1-CB 3.96Å; F342-P366 HydrophobicContact CD1-CG 4.1Å; F342-P366 HydrophobicContact CG-CB 4.46Å; F342-P366 HydrophobicContact CG-CG 4.33Å; Q346-P366 VanDerWaalsContact OE1-CA 3.26Å; Q346-P366 VanDerWaalsContact OE1-CG 3.27Å; P366-R368 PolarHBondContact O-N 2.97Å; P366-A369 HydrophobicContact CB-CB 4.15Å; P366-A369 HydrophobicContact CG-CB 4.18Å; P366-A369 WeakPolarHBondContact O-CB 3.12Å; P366-A369 PolarHBondContact O-N 3.41Å; P366-I370 PolarHBondContact O-N 3.34Å
367L98.1Very high94.2Very high10 Ų1037.1 Ų37.15%0.05219%0.194CC..Hα-helixtrans-55-39.8173.5-98.161.5000111.8E330 W345 A347 I365 A369 I370 K371 L432 Y433E330-L367 HydrophobicContact CG-CD1 3.85Å; E330-L367 WeakPolarHBondContact OE1-CD2 3.34Å; W345-L367 HydrophobicContact CB-CD1 4.13Å; W345-L367 HydrophobicContact CB-CD2 3.98Å; W345-L367 PolarHBondContact O-N 2.87Å; W345-L367 VanDerWaalsContact O-N 3.08Å; A347-L367 HydrophobicContact CB-CD1 3.92Å; I365-L367 PolarHBondContact O-N 3.11Å; L367-A369 VanDerWaalsContact C-N 3.28Å; L367-A369 PolarHBondContact O-N 3.47Å; L367-I370 WeakPolarHBondContact O-CB 3.07Å; L367-I370 PolarHBondContact O-N 3.31Å; L367-I370 VanDerWaalsContact O-N 3.11Å; L367-K371 PolarHBondContact O-N 2.91Å; L367-L432 HydrophobicContact CD2-CB 3.9Å; L367-L432 HydrophobicContact CD2-CD1 4.25Å; L367-Y433 HydrophobicContact CD1-CE1 4.26Å; L367-Y433 HydrophobicContact CD1-CE2 4.38Å; L367-Y433 HydrophobicContact CD2-CD2 4.24Å; L367-Y433 HydrophobicContact CD2-CE2 3.67Å; L367-Y433 HydrophobicContact CG-CD2 4.34Å; L367-Y433 HydrophobicContact CG-CE1 4.09Å; L367-Y433 HydrophobicContact CG-CE2 3.82Å
368R97.7Very high94.6Very high103 Ų10335.7 Ų35.739%0.38919%0.185SC..Hα-helixtrans-59.4-39.1175.9-169177.9-174.2175.2-6.6111.9D341 F342 P366 I370 K371 E372D341-R368 WeakPolarHBondContact O-CD 3.22Å; D341-R368 PolarHBondContact O-NH1 2.86Å; D341-R368 IonicContact OD1-NH1 2.78Å; D341-R368 PolarHBondContact OD1-NH1 3.29Å; D341-R368 VanDerWaalsContact OD1-NH1 3.12Å; D341-R368 IonicContact OD2-NH1 3.78Å; F342-R368 HydrophobicContact CD1-CB 4.1Å; F342-R368 HydrophobicContact CD1-CG 4.39Å; F342-R368 HydrophobicContact CE1-CB 4.29Å; F342-R368 HydrophobicContact CE1-CG 4.17Å; P366-R368 PolarHBondContact O-N 2.97Å; R368-I370 VanDerWaalsContact C-N 3.27Å; R368-I370 PolarHBondContact O-N 2.97Å; R368-K371 PolarHBondContact O-N 3.23Å; R368-E372 HydrophobicContact CG-CG 3.9Å; R368-E372 IonicContact NE-OE1 2.84Å; R368-E372 WeakPolarHBondContact O-CB 3.44Å; R368-E372 WeakPolarHBondContact O-CG 3.44Å; R368-E372 PolarHBondContact O-N 3Å
369A97.8Very high95Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-62.9-38.3177.400000111.5F342 I365 P366 L367 G373 E374 F377F342-A369 HydrophobicContact CD1-CB 4.09Å; F342-A369 HydrophobicContact CE1-CB 4.04Å; I365-A369 HydrophobicContact CD1-CB 4.21Å; I365-A369 HydrophobicContact CG1-CB 4.29Å; P366-A369 HydrophobicContact CB-CB 4.15Å; P366-A369 HydrophobicContact CG-CB 4.18Å; P366-A369 WeakPolarHBondContact O-CB 3.12Å; P366-A369 PolarHBondContact O-N 3.41Å; L367-A369 VanDerWaalsContact C-N 3.28Å; L367-A369 PolarHBondContact O-N 3.47Å; A369-G373 PolarHBondContact O-N 3.07Å; A369-G373 VanDerWaalsContact O-N 3.16Å; A369-E374 HydrophobicContact CB-CB 3.99Å; A369-E374 PolarHBondContact O-N 2.86Å; A369-F377 HydrophobicContact CB-CD2 4.13Å
370I97.6Very high95.3Very high0 Ų034.8 Ų34.80%016%0.164CC..Hα-helixtrans-66.7-46.7174.4-56.4-54.8000110.9I365 P366 L367 R368 E372 G373 A381 V384 F385 V388 Y433I365-I370 HydrophobicContact CG1-CD1 3.87Å; I365-I370 HydrophobicContact CG1-CG1 4.27Å; I365-I370 HydrophobicContact CG2-CD1 4.03Å; I365-I370 HydrophobicContact CG2-CG1 4.06Å; P366-I370 PolarHBondContact O-N 3.34Å; L367-I370 WeakPolarHBondContact O-CB 3.07Å; L367-I370 PolarHBondContact O-N 3.31Å; L367-I370 VanDerWaalsContact O-N 3.11Å; R368-I370 VanDerWaalsContact C-N 3.27Å; R368-I370 PolarHBondContact O-N 2.97Å; I370-E372 VanDerWaalsContact C-N 3.32Å; I370-E372 PolarHBondContact O-N 3.04Å; I370-G373 PolarHBondContact O-N 3.35Å; I370-A381 HydrophobicContact CD1-CB 4.32Å; I370-V384 HydrophobicContact CD1-CB 3.86Å; I370-V384 HydrophobicContact CD1-CG1 3.95Å; I370-V384 HydrophobicContact CG1-CB 4.4Å; I370-V384 HydrophobicContact CG1-CG1 3.92Å; I370-F385 HydrophobicContact CD1-CB 4.21Å; I370-F385 HydrophobicContact CG2-CB 4.42Å; I370-F385 HydrophobicContact CG2-CD2 4.05Å; I370-F385 WeakPolarHBondContact O-CD2 3.29Å; I370-F385 WeakPolarHBondContact O-CE2 3.45Å; I370-V388 HydrophobicContact CG2-CG2 3.82Å; I370-Y433 HydrophobicContact CG2-CD1 4.09Å
371K97.9Very high95.5Very high51 Ų5131.8 Ų31.822%0.22215%0.153CC..Hα-helixtrans-60.6-39.8179.4-174.2172.1175.9172.10113.5L367 R368 H431 Y433 Y435L367-K371 PolarHBondContact O-N 2.91Å; R368-K371 PolarHBondContact O-N 3.23Å; K371-H431 WeakPolarHBondContact CE-O 3.35Å; K371-H431 PolarHBondContact NZ-O 3.5Å; K371-Y433 VanDerWaalsContact CA-O 3.25Å; K371-Y433 WeakPolarHBondContact CA-O 3.28Å; K371-Y435 HydrophobicContact CG-CD2 4.09Å; K371-Y435 HydrophobicContact CG-CE2 3.8Å; K371-Y435 WeakPolarHBondContact O-CE2 3.37Å
372E96.9Very high95.5Very high50 Ų5033.7 Ų33.723%0.23416%0.164CC..THydrogen-bonded Turntrans-89.1-1.4-177.4-54.2-64.5179.800113.7R368 I370 E374 Y435 K448R368-E372 HydrophobicContact CG-CG 3.9Å; R368-E372 IonicContact NE-OE1 2.84Å; R368-E372 WeakPolarHBondContact O-CB 3.44Å; R368-E372 WeakPolarHBondContact O-CG 3.44Å; R368-E372 PolarHBondContact O-N 3Å; I370-E372 VanDerWaalsContact C-N 3.32Å; I370-E372 PolarHBondContact O-N 3.04Å; E372-E374 HydrophobicContact CB-CG 4.2Å; E372-Y435 PolarHBondContact OE1-OH 3.45Å; E372-Y435 WeakPolarHBondContact OE2-CE2 3.34Å; E372-Y435 PolarHBondContact OE2-OH 3.29Å; E372-K448 WeakPolarHBondContact O-CD 3.16Å
373G94.8Very high95.3Very high1 Ų133.9 Ų33.91%0.0116%0.164CC..THydrogen-bonded Turntrans70.727.9-177.500000115.1A369 I370 L375A369-G373 PolarHBondContact O-N 3.07Å; A369-G373 VanDerWaalsContact O-N 3.16Å; I370-G373 PolarHBondContact O-N 3.35Å; G373-L375 VanDerWaalsContact C-N 3.28Å; G373-L375 PolarHBondContact O-N 3.3Å
374E95.3Very high95.2Very high40 Ų4034.1 Ų34.119%0.18717%0.166CC..  trans-79.565.4179.3-69.9-80-160.600112.4F342 A369 E372 T376 F377 K448F342-E374 HydrophobicContact CE1-CG 4.4Å; F342-E374 HydrophobicContact CZ-CG 4.31Å; A369-E374 HydrophobicContact CB-CB 3.99Å; A369-E374 PolarHBondContact O-N 2.86Å; E372-E374 HydrophobicContact CB-CG 4.2Å; E374-T376 PolarHBondContact O-N 2.98Å; E374-T376 VanDerWaalsContact O-N 3.13Å; E374-F377 HydrophobicContact CB-CD2 4.1Å; E374-F377 HydrophobicContact CB-CE2 4.23Å; E374-F377 HydrophobicContact CB-CG 4.27Å; E374-F377 HydrophobicContact CB-CZ 4.48Å; E374-F377 HydrophobicContact CG-CE2 4.33Å; E374-F377 HydrophobicContact CG-CZ 4.43Å; E374-F377 PolarHBondContact O-N 2.74Å; E374-K448 HydrophobicContact CG-CD 4.38Å; E374-K448 WeakPolarHBondContact OE1-CE 3.49Å; E374-K448 IonicContact OE1-NZ 3.56Å; E374-K448 PolarHBondContact OE1-NZ 3.14Å; E374-K448 WeakPolarHBondContact OE2-CE 3.48Å; E374-K448 IonicContact OE2-NZ 3.38Å
375L92.3Very high95Very high33 Ų3334.2 Ų34.217%0.17317%0.166CC..THydrogen-bonded Turntrans-72.1-8.3-169.3-55.6-167.2000115.4G373 F377 A381 P382 F385 A449G373-L375 VanDerWaalsContact C-N 3.28Å; G373-L375 PolarHBondContact O-N 3.3Å; L375-F377 VanDerWaalsContact C-N 3.33Å; L375-A381 HydrophobicContact CD2-CB 4.47Å; L375-P382 HydrophobicContact CB-CG 4.27Å; L375-P382 WeakPolarHBondContact O-CD 3.31Å; L375-F385 HydrophobicContact CD1-CD1 4.34Å; L375-F385 HydrophobicContact CD2-CB 3.43Å; L375-F385 VanDerWaalsContact CD2-CB 3.43Å; L375-F385 HydrophobicContact CD2-CD1 4.1Å; L375-F385 HydrophobicContact CD2-CD2 3.67Å; L375-F385 HydrophobicContact CD2-CE2 4.41Å; L375-F385 HydrophobicContact CD2-CG 3.48Å; L375-F385 VanDerWaalsContact CD2-CG 3.48Å; L375-A449 HydrophobicContact CD1-CB 3.72Å; L375-A449 HydrophobicContact CG-CB 4.04Å
376T92.9Very high94.7Very high125 Ų12534.2 Ų34.277%0.76717%0.167SC*.THydrogen-bonded Turntrans-85-10.8178.864.50000112.9E374E374-T376 PolarHBondContact O-N 2.98Å; E374-T376 VanDerWaalsContact O-N 3.13Å
377F94.3Very high94.3Very high40 Ų4034.3 Ų34.318%0.17517%0.167CC..SBendtrans-77.1140.2-175.1-74.710.2000111.2L338 F342 I365 A369 E374 L375L338-F377 HydrophobicContact CD1-CD2 3.91Å; L338-F377 HydrophobicContact CD1-CG 4.5Å; L338-F377 HydrophobicContact CD2-CD2 4.16Å; L338-F377 HydrophobicContact CD2-CG 4.22Å; F342-F377 HydrophobicContact CD1-CD2 4.33Å; F342-F377 HydrophobicContact CD1-CE2 4.12Å; F342-F377 AromaticContact CD2-CE2 3.93Å; F342-F377 HydrophobicContact CD2-CE2 3.93Å; F342-F377 HydrophobicContact CE1-CD2 4.19Å; F342-F377 AromaticContact CE1-CE2 3.74Å; F342-F377 HydrophobicContact CE1-CE2 3.74Å; F342-F377 AromaticContact CE2-CE2 3.56Å; F342-F377 HydrophobicContact CE2-CE2 3.56Å; F342-F377 HydrophobicContact CE2-CZ 4.21Å; F342-F377 HydrophobicContact CG-CE2 4.21Å; F342-F377 HydrophobicContact CZ-CD2 4.34Å; F342-F377 AromaticContact CZ-CE2 3.45Å; F342-F377 HydrophobicContact CZ-CE2 3.45Å; F342-F377 VanDerWaalsContact CZ-CE2 3.45Å; F342-F377 HydrophobicContact CZ-CZ 4.2Å; I365-F377 HydrophobicContact CD1-CB 4.12Å; A369-F377 HydrophobicContact CB-CD2 4.13Å; E374-F377 HydrophobicContact CB-CD2 4.1Å; E374-F377 HydrophobicContact CB-CE2 4.23Å; E374-F377 HydrophobicContact CB-CG 4.27Å; E374-F377 HydrophobicContact CB-CZ 4.48Å; E374-F377 HydrophobicContact CG-CE2 4.33Å; E374-F377 HydrophobicContact CG-CZ 4.43Å; E374-F377 PolarHBondContact O-N 2.74Å; L375-F377 VanDerWaalsContact C-N 3.33Å
378K92.8Very high94.1Very high111 Ų11133.8 Ų33.848%0.48316%0.164SC..THydrogen-bonded Turntrans-73138.6170.2-68.9-162.4175.3-155.60109.5R335 E357R335-K378 PolarHBondContact NH1-O 3.16Å; R335-K378 PolarHBondContact NH2-O 3.46Å; E357-K378 IonicContact OE1-NZ 2.65Å; E357-K378 PolarHBondContact OE1-NZ 3.05Å; E357-K378 VanDerWaalsContact OE1-NZ 3.16Å
379Y94.1Very high93.8Very high50 Ų5029.2 Ų29.220%0.19615%0.147CC..THydrogen-bonded Turncis-115.7144.55.5-64.2-91.1000110.9I210 R214 P364 I365 A381I210-Y379 HydrophobicContact CG2-CD2 4.46Å; I210-Y379 HydrophobicContact CG2-CE2 3.66Å; R214-Y379 VanDerWaalsContact CZ-CD1 3.4Å; R214-Y379 VanDerWaalsContact NH1-CD1 3.34Å; P364-Y379 HydrophobicContact CG-CD2 4.39Å; P364-Y379 PolarHBondContact O-N 3.11Å; I365-Y379 VanDerWaalsContact CB-O 3.27Å; I365-Y379 WeakPolarHBondContact CB-O 3.42Å; Y379-A381 PolarHBondContact O-N 2.95Å
380D94.2Very high93.3Very high35 Ų3529.4 Ų29.419%0.18715%0.149CC..THydrogen-bonded Turntrans58.524.5163.2-44.7-48.7000115.8R214 S356 C362 G363 P382 F383 V384R214-D380 IonicContact NH1-OD2 3.95Å; R214-D380 PolarHBondContact NH1-OD2 3.45Å; S356-D380 WeakPolarHBondContact CB-OD1 3.38Å; S356-D380 VanDerWaalsContact OG-CG 3.31Å; S356-D380 PolarHBondContact OG-OD1 3.29Å; S356-D380 PolarHBondContact OG-OD2 2.89Å; C362-D380 WeakPolarHBondContact CA-OD2 3.39Å; G363-D380 PolarHBondContact N-OD2 3.23Å; D380-P382 VanDerWaalsContact C-CD 3.43Å; D380-F383 PolarHBondContact O-N 3.08Å; D380-V384 PolarHBondContact O-N 3.12Å
381A93.8Very high92.6Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-54.2-42.9-179.200000114.7I365 I370 L375 Y379 F383 V384 F385I365-A381 HydrophobicContact CD1-CB 3.57Å; I365-A381 HydrophobicContact CG1-CB 3.87Å; I370-A381 HydrophobicContact CD1-CB 4.32Å; L375-A381 HydrophobicContact CD2-CB 4.47Å; Y379-A381 PolarHBondContact O-N 2.95Å; A381-F383 VanDerWaalsContact C-N 3.28Å; A381-F383 PolarHBondContact O-N 3.29Å; A381-V384 PolarHBondContact O-N 3.23Å; A381-F385 WeakPolarHBondContact O-CB 3.2Å; A381-F385 PolarHBondContact O-N 3.3Å
382P91.2Very high91.8Very high48 Ų4829.1 Ų29.131%0.31215%0.151SC..Hα-helixtrans-59.1-40.2179.7-23.333.8000112.8L375 D380 A386L375-P382 HydrophobicContact CB-CG 4.27Å; L375-P382 WeakPolarHBondContact O-CD 3.31Å; D380-P382 VanDerWaalsContact C-CD 3.43Å; P382-A386 WeakPolarHBondContact O-CB 3.15Å; P382-A386 PolarHBondContact O-N 3Å
383F90.1Very high91.1Very high14 Ų1428.1 Ų28.16%0.06115%0.148CC..Hα-helixtrans-65.8-55.3-178.9178.2-100.4000111.1Q353 E354 D380 A381 F385 A386 E387Q353-F383 HydrophobicContact CB-CE2 4.37Å; Q353-F383 HydrophobicContact CB-CZ 3.75Å; Q353-F383 HydrophobicContact CG-CZ 4.5Å; Q353-F383 VanDerWaalsContact OE1-CZ 3.23Å; E354-F383 HydrophobicContact CB-CD2 4.05Å; E354-F383 HydrophobicContact CB-CE2 4.01Å; E354-F383 HydrophobicContact CG-CD2 3.75Å; E354-F383 HydrophobicContact CG-CE2 3.55Å; E354-F383 HydrophobicContact CG-CZ 4.47Å; D380-F383 PolarHBondContact O-N 3.08Å; A381-F383 VanDerWaalsContact C-N 3.28Å; A381-F383 PolarHBondContact O-N 3.29Å; F383-F385 PolarHBondContact O-N 3.28Å; F383-A386 WeakPolarHBondContact O-CB 3.13Å; F383-A386 PolarHBondContact O-N 2.82Å; F383-A386 VanDerWaalsContact O-N 3.11Å; F383-E387 HydrophobicContact CE1-CG 4.17Å; F383-E387 HydrophobicContact CZ-CG 4.3Å; F383-E387 WeakPolarHBondContact O-CG 3.39Å; F383-E387 PolarHBondContact O-N 3.06Å; F383-E387 VanDerWaalsContact O-N 3.11Å
384V93.8Very high90.6Very high5 Ų528.2 Ų28.23%0.0315%0.148CC..Hα-helixtrans-63.2-33.9-179.5-179.50000111.4A347 I365 I370 D380 A381 E387A347-V384 HydrophobicContact CB-CG1 4.27Å; I365-V384 HydrophobicContact CG2-CB 4.06Å; I365-V384 HydrophobicContact CG2-CG1 4.09Å; I365-V384 HydrophobicContact CG2-CG2 3.88Å; I370-V384 HydrophobicContact CD1-CB 3.86Å; I370-V384 HydrophobicContact CD1-CG1 3.95Å; I370-V384 HydrophobicContact CG1-CB 4.4Å; I370-V384 HydrophobicContact CG1-CG1 3.92Å; D380-V384 PolarHBondContact O-N 3.12Å; A381-V384 PolarHBondContact O-N 3.23Å; V384-E387 PolarHBondContact O-N 2.96Å
385F93.7Very high90.3Very high1 Ų127.9 Ų27.90%0.00415%0.147CC..Hα-helixtrans-66.6-43174.9-172.9-87.4000112.1L303 I370 L375 A381 F383 E387 V388 N389 F446 A449L303-F385 HydrophobicContact CD1-CE1 4.36Å; L303-F385 HydrophobicContact CD2-CD1 3.67Å; L303-F385 HydrophobicContact CD2-CE1 4.17Å; I370-F385 HydrophobicContact CD1-CB 4.21Å; I370-F385 HydrophobicContact CG2-CB 4.42Å; I370-F385 HydrophobicContact CG2-CD2 4.05Å; I370-F385 WeakPolarHBondContact O-CD2 3.29Å; I370-F385 WeakPolarHBondContact O-CE2 3.45Å; L375-F385 HydrophobicContact CD1-CD1 4.34Å; L375-F385 HydrophobicContact CD2-CB 3.43Å; L375-F385 VanDerWaalsContact CD2-CB 3.43Å; L375-F385 HydrophobicContact CD2-CD1 4.1Å; L375-F385 HydrophobicContact CD2-CD2 3.67Å; L375-F385 HydrophobicContact CD2-CE2 4.41Å; L375-F385 HydrophobicContact CD2-CG 3.48Å; L375-F385 VanDerWaalsContact CD2-CG 3.48Å; A381-F385 WeakPolarHBondContact O-CB 3.2Å; A381-F385 PolarHBondContact O-N 3.3Å; F383-F385 PolarHBondContact O-N 3.28Å; F385-E387 VanDerWaalsContact C-N 3.29Å; F385-E387 PolarHBondContact O-N 3.18Å; F385-V388 WeakPolarHBondContact O-CG2 3.46Å; F385-V388 PolarHBondContact O-N 3.05Å; F385-N389 HydrophobicContact CD1-CB 3.95Å; F385-N389 WeakPolarHBondContact CD2-ND2 3.48Å; F385-N389 HydrophobicContact CE1-CB 3.6Å; F385-N389 WeakPolarHBondContact CE2-ND2 3.45Å; F385-N389 HydrophobicContact CZ-CB 3.93Å; F385-N389 VanDerWaalsContact CZ-ND2 3.34Å; F385-N389 WeakPolarHBondContact CZ-ND2 3.45Å; F385-N389 WeakPolarHBondContact O-CB 2.97Å; F385-N389 PolarHBondContact O-N 2.8Å; F385-F446 HydrophobicContact CE1-CD1 4.41Å; F385-F446 HydrophobicContact CE1-CE1 4.45Å; F385-F446 AromaticContact CZ-CD1 3.85Å; F385-F446 HydrophobicContact CZ-CD1 3.85Å; F385-F446 AromaticContact CZ-CE1 3.93Å; F385-F446 HydrophobicContact CZ-CE1 3.93Å; F385-A449 HydrophobicContact CE1-CB 3.83Å; F385-A449 HydrophobicContact CE2-CB 4.38Å; F385-A449 HydrophobicContact CZ-CB 3.71Å
386A90.3Very high90.2Very high1 Ų127 Ų271%0.00814%0.142CC..Hα-helixtrans-58.5-42.8176.100000111.1A296 D298 L303 P382 F383 V388 N389 A390A296-A386 VanDerWaalsContact CB-O 3.31Å; A296-A386 WeakPolarHBondContact CB-O 3.36Å; D298-A386 HydrophobicContact CB-CB 4.31Å; L303-A386 HydrophobicContact CD2-CB 3.91Å; P382-A386 WeakPolarHBondContact O-CB 3.15Å; P382-A386 PolarHBondContact O-N 3Å; F383-A386 WeakPolarHBondContact O-CB 3.13Å; F383-A386 PolarHBondContact O-N 2.82Å; F383-A386 VanDerWaalsContact O-N 3.11Å; A386-V388 PolarHBondContact O-N 3.2Å; A386-N389 PolarHBondContact O-N 3.48Å; A386-A390 WeakPolarHBondContact O-CB 3.42Å; A386-A390 PolarHBondContact O-N 3.29Å
387E91.6Very high90Very high2 Ų226 Ų261%0.00913%0.127CC..Hα-helixtrans-54.8-31-179.7-64.8-145131.400114.3N292 A296 H326 W328 Q353 F383 V384 F385N292-E387 PolarHBondContact ND2-O 2.95Å; N292-E387 VanDerWaalsContact ND2-O 3.13Å; A296-E387 PolarHBondContact N-O 3.15Å; A296-E387 VanDerWaalsContact N-O 3.09Å; A296-E387 WeakPolarHBondContact O-CA 3.1Å; H326-E387 IonicContact CD2-OE1 3.44Å; H326-E387 PolarHBondContact CD2-OE1 3.48Å; H326-E387 VanDerWaalsContact CD2-OE1 3.24Å; H326-E387 IonicContact CD2-OE2 3.47Å; H326-E387 PolarHBondContact CD2-OE2 3.37Å; H326-E387 IonicContact NE2-OE1 3.27Å; H326-E387 IonicContact NE2-OE2 3.96Å; W328-E387 WeakPolarHBondContact CZ3-OE2 3.45Å; Q353-E387 PolarHBondContact OE1-OE1 3.01Å; F383-E387 HydrophobicContact CE1-CG 4.17Å; F383-E387 HydrophobicContact CZ-CG 4.3Å; F383-E387 WeakPolarHBondContact O-CG 3.39Å; F383-E387 PolarHBondContact O-N 3.06Å; F383-E387 VanDerWaalsContact O-N 3.11Å; V384-E387 PolarHBondContact O-N 2.96Å; F385-E387 VanDerWaalsContact C-N 3.29Å; F385-E387 PolarHBondContact O-N 3.18Å
388V93.3Very high89.7Confident0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-108-18.5-177.1-60.70000114.1W328 I370 F385 A386 I416 Y433 K434W328-V388 HydrophobicContact CH2-CG1 3.97Å; I370-V388 HydrophobicContact CG2-CG2 3.82Å; F385-V388 WeakPolarHBondContact O-CG2 3.46Å; F385-V388 PolarHBondContact O-N 3.05Å; A386-V388 PolarHBondContact O-N 3.2Å; V388-I416 HydrophobicContact CB-CD1 4.47Å; V388-I416 HydrophobicContact CG1-CD1 3.81Å; V388-Y433 HydrophobicContact CG1-CD1 4.14Å; V388-K434 VanDerWaalsContact O-CE 3.25Å; V388-K434 WeakPolarHBondContact O-CE 3.24Å; V388-K434 PolarHBondContact O-NZ 3.43Å
389N91.3Very high89.4Confident7 Ų731.5 Ų31.54%0.03715%0.151CC..Hα-helixtrans-129.11.4-172.2-69.5-44.3000115.4F385 A386 F446 H451F385-N389 HydrophobicContact CD1-CB 3.95Å; F385-N389 WeakPolarHBondContact CD2-ND2 3.48Å; F385-N389 HydrophobicContact CE1-CB 3.6Å; F385-N389 WeakPolarHBondContact CE2-ND2 3.45Å; F385-N389 HydrophobicContact CZ-CB 3.93Å; F385-N389 VanDerWaalsContact CZ-ND2 3.34Å; F385-N389 WeakPolarHBondContact CZ-ND2 3.45Å; F385-N389 WeakPolarHBondContact O-CB 2.97Å; F385-N389 PolarHBondContact O-N 2.8Å; A386-N389 PolarHBondContact O-N 3.48Å; N389-F446 HydrophobicContact CB-CE1 3.99Å; N389-H451 PolarHBondContact O-NE2 3.22Å
390A87Confident89.2Confident3 Ų335 Ų353%0.02517%0.173CC..  trans-58.8143.1178.300000112.7A296 L303 I305 A386 V412A296-A390 HydrophobicContact CB-CB 3.63Å; L303-A390 WeakPolarHBondContact O-CA 3.43Å; I305-A390 HydrophobicContact CD1-CB 4.15Å; I305-A390 HydrophobicContact CG1-CB 4.29Å; A386-A390 WeakPolarHBondContact O-CB 3.42Å; A386-A390 PolarHBondContact O-N 3.29Å; A390-V412 HydrophobicContact CB-CG2 4.32Å; A390-V412 WeakPolarHBondContact O-CG2 3.41Å
391D82.8Confident88.8Confident10 Ų1035.6 Ų35.65%0.05319%0.188CC..EExtended strand (participates in β ladder)trans-80.8143.5168.1-84.9-24.2000110.7L303 V304 I305 H451 K454 Q457L303-D391 PolarHBondContact O-N 2.78Å; V304-D391 CarbonylContact C-O 3.48Å; V304-D391 WeakPolarHBondContact CA-O 3.16Å; I305-D391 PolarHBondContact N-O 3.08Å; D391-H451 IonicContact OD2-CE1 3.47Å; D391-H451 PolarHBondContact OD2-CE1 3.45Å; D391-H451 VanDerWaalsContact OD2-CE1 3.31Å; D391-H451 IonicContact OD2-NE2 3.5Å; D391-K454 WeakPolarHBondContact OD1-CE 3.27Å; D391-K454 WeakPolarHBondContact OD1-CG 3.39Å; D391-K454 WeakPolarHBondContact OD2-CG 3.16Å; D391-K454 PolarHBondContact OD2-N 3.26Å; D391-Q457 PolarHBondContact OD1-NE2 3.17Å; D391-Q457 PolarHBondContact OD2-NE2 3.47Å
392V80.8Confident88.6Confident36 Ų3637.9 Ų37.922%0.21820%0.204CC..EExtended strand (participates in β ladder)trans-111.1109.7173.4-176.10000109.4I305 I322 V412I305-V392 WeakPolarHBondContact O-CA 3.13Å; I322-V392 HydrophobicContact CD1-CG2 3.74Å; I322-V392 HydrophobicContact CG1-CG2 3.93Å; V392-V412 HydrophobicContact CG2-CG1 3.47Å; V392-V412 VanDerWaalsContact CG2-CG1 3.47Å
393V82.5Confident88.5Confident29 Ų2939.1 Ų39.118%0.17621%0.211CC..EExtended strand (participates in β ladder)trans-98.8118.2175.2-179.10000108.4V304 I305 E306 H307 M395V304-V393 HydrophobicContact CG1-CG2 3.94Å; I305-V393 PolarHBondContact O-N 3.41Å; E306-V393 CarbonylContact C-O 3.39Å; E306-V393 WeakPolarHBondContact CA-O 3.02Å; H307-V393 PolarHBondContact N-O 3.03Å; V393-M395 HydrophobicContact CG1-CG 4.41Å; V393-M395 HydrophobicContact CG1-SD 4.06Å
394T85.4Confident88.4Confident2 Ų240.2 Ų40.21%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-96.8127.1175.4-55.40000111H307 V309 V406 T408 L568H307-T394 CarbonylContact O-C 3.59Å; H307-T394 WeakPolarHBondContact O-CA 3.47Å; V309-T394 HydrophobicContact CG1-CG2 3.92Å; V309-T394 HydrophobicContact CG2-CG2 3.94Å; T394-V406 HydrophobicContact CG2-CB 4.19Å; T394-V406 PolarHBondContact O-N 2.91Å; T394-T408 VanDerWaalsContact CB-OG1 3.26Å; T394-T408 WeakPolarHBondContact CB-OG1 3.4Å; T394-T408 PolarHBondContact OG1-OG1 3.33Å; T394-L568 HydrophobicContact CG2-CD2 4.05Å
395M88.5Confident88Confident34 Ų3447.1 Ų47.117%0.16725%0.25CC..EExtended strand (participates in β ladder)trans-113.8130.9177.7-60.5-59.6-75.300109.3H307 Y308 V309 V393 K405H307-M395 PolarHBondContact O-N 3Å; Y308-M395 CarbonylContact C-O 3.59Å; Y308-M395 VanDerWaalsContact CA-O 3.27Å; Y308-M395 WeakPolarHBondContact CA-O 3.4Å; Y308-M395 HydrophobicContact CD1-CB 3.91Å; Y308-M395 HydrophobicContact CE1-CB 3.88Å; Y308-M395 HydrophobicContact CE1-CG 4.4Å; V309-M395 PolarHBondContact N-O 2.86Å; V393-M395 HydrophobicContact CG1-CG 4.41Å; V393-M395 HydrophobicContact CG1-SD 4.06Å; M395-K405 HydrophobicContact SD-CB 4.05Å; M395-K405 HydrophobicContact SD-CG 4.28Å
396M89.4Confident87.6Confident14 Ų1447.1 Ų47.17%0.06925%0.25CS..EExtended strand (participates in β ladder)trans-87125169.4-179.2178.2-64.300109.3V309 E311 T403 S404 V406 L557 A566V309-M396 HydrophobicContact CG2-CB 4.22Å; V309-M396 CarbonylContact O-C 3.59Å; V309-M396 VanDerWaalsContact O-CA 3.28Å; V309-M396 WeakPolarHBondContact O-CA 3.18Å; E311-M396 HydrophobicContact CG-SD 4.4Å; M396-T403 CarbonylContact O-C 3.58Å; M396-T403 WeakPolarHBondContact O-CA 3.12Å; M396-S404 PolarHBondContact N-O 3.17Å; M396-S404 PolarHBondContact O-N 2.98Å; M396-V406 HydrophobicContact CB-CG2 3.54Å; M396-V406 HydrophobicContact CE-CG2 4.08Å; M396-L557 HydrophobicContact CE-CD1 3.64Å; M396-L557 HydrophobicContact CE-CD2 3.54Å; M396-L557 HydrophobicContact CE-CG 4.14Å; M396-A566 HydrophobicContact CE-CB 3.85Å
397K90.1Very high87.2Confident103 Ų10349.2 Ų49.245%0.44826%0.263SS..EExtended strand (participates in β ladder)trans-97.6117.7170.6-170.4173.2-176.5173.60109.4V309 I316 T403V309-K397 PolarHBondContact O-N 2.88Å; I316-K397 HydrophobicContact CD1-CB 3.79Å; I316-K397 HydrophobicContact CD1-CD 4.13Å; I316-K397 HydrophobicContact CD1-CG 4.47Å; K397-T403 HydrophobicContact CB-CG2 4.4Å; K397-T403 HydrophobicContact CG-CG2 4.37Å
398K86.9Confident86.4Confident76 Ų7651.1 Ų51.133%0.3327%0.274SS..PPolyproline II helixtrans-85.9161.8-179.8-60.7-175.8-168.1170.90111.1E311 D400 G401 S402E311-K398 HydrophobicContact CG-CB 4.37Å; E311-K398 HydrophobicContact CG-CG 4.26Å; K398-D400 VanDerWaalsContact CB-OD1 3.3Å; K398-D400 WeakPolarHBondContact CB-OD1 3.48Å; K398-D400 PolarHBondContact O-N 2.97Å; K398-G401 PolarHBondContact O-N 3.23Å; K398-S402 PolarHBondContact N-O 2.69Å
399K87.6Confident85.1Confident192 Ų19257.1 Ų57.184%0.83531%0.305SS*.THydrogen-bonded Turntrans-59.9-26.7177.3-76.7171.4-175.4-179.60114.1E311 G401E311-K399 VanDerWaalsContact OE2-CG 3.24Å; E311-K399 WeakPolarHBondContact OE2-CG 3.5Å; E311-K399 PolarHBondContact OE2-N 2.61Å; E311-K399 VanDerWaalsContact OE2-N 3.13Å; K399-G401 PolarHBondContact O-N 3.32Å
400D88.7Confident83.8Confident122 Ų12259 Ų5965%0.65233%0.326SS*.THydrogen-bonded Turntrans-76.4-2.4175.565.89000113.6K398 S402K398-D400 VanDerWaalsContact CB-OD1 3.3Å; K398-D400 WeakPolarHBondContact CB-OD1 3.48Å; K398-D400 PolarHBondContact O-N 2.97Å; D400-S402 VanDerWaalsContact C-N 3.34Å; D400-S402 VanDerWaalsContact OD1-CB 3.26Å; D400-S402 WeakPolarHBondContact OD1-CB 3.46Å; D400-S402 PolarHBondContact OD1-N 3Å; D400-S402 PolarHBondContact OD1-OG 2.79Å; D400-S402 PolarHBondContact OD2-OG 3.35Å
401G86Confident83.3Confident49 Ų4961.8 Ų61.851%0.50534%0.34SS..SBendtrans89.2-9.4-17900000114.6K398 K399K398-G401 PolarHBondContact O-N 3.23Å; K399-G401 PolarHBondContact O-N 3.32Å
402S89.3Confident83.6Confident47 Ų4761.8 Ų61.833%0.32934%0.34SS..  trans-72.1154.617769.90000112.2K398 D400K398-S402 PolarHBondContact N-O 2.69Å; D400-S402 VanDerWaalsContact C-N 3.34Å; D400-S402 VanDerWaalsContact OD1-CB 3.26Å; D400-S402 WeakPolarHBondContact OD1-CB 3.46Å; D400-S402 PolarHBondContact OD1-N 3Å; D400-S402 PolarHBondContact OD1-OG 2.79Å; D400-S402 PolarHBondContact OD2-OG 3.35Å
403T90.1Very high84.2Confident74 Ų7460 Ų6045%0.45433%0.33SS..EExtended strand (participates in β ladder)trans-119.6144.517757.70000111.8Y308 M396 K397Y308-T403 HydrophobicContact CE1-CG2 4.22Å; M396-T403 CarbonylContact O-C 3.58Å; M396-T403 WeakPolarHBondContact O-CA 3.12Å; K397-T403 HydrophobicContact CB-CG2 4.4Å; K397-T403 HydrophobicContact CG-CG2 4.37Å
404S87.3Confident84.7Confident37 Ų3760.8 Ų60.826%0.25933%0.332SS..EExtended strand (participates in β ladder)trans-140.1138.5175.655.90000111.1M396M396-S404 PolarHBondContact N-O 3.17Å; M396-S404 PolarHBondContact O-N 2.98Å
405K86.5Confident85.2Confident150 Ų15063.9 Ų63.965%0.65235%0.346SS*.EExtended strand (participates in β ladder)trans-63.3138.5179-168.3173.7-178.2176.30111M395M395-K405 HydrophobicContact SD-CB 4.05Å; M395-K405 HydrophobicContact SD-CG 4.28Å
406V84.3Confident85.6Confident2 Ų262.2 Ų62.21%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-113.2127.8175.1-177.20000108.6V309 T394 M396 T408 L557 A566 L568V309-V406 HydrophobicContact CG2-CG2 4.37Å; T394-V406 HydrophobicContact CG2-CB 4.19Å; T394-V406 PolarHBondContact O-N 2.91Å; M396-V406 HydrophobicContact CB-CG2 3.54Å; M396-V406 HydrophobicContact CE-CG2 4.08Å; V406-T408 PolarHBondContact O-N 3.33Å; V406-T408 PolarHBondContact O-OG1 3.41Å; V406-L557 HydrophobicContact CG1-CD1 4.32Å; V406-A566 HydrophobicContact CG1-CB 4.34Å; V406-A566 HydrophobicContact CG2-CB 4.32Å; V406-L568 HydrophobicContact CG1-CB 3.53Å
407T81.8Confident86.1Confident45 Ų4561.6 Ų61.628%0.27634%0.335SS..EExtended strand (participates in β ladder)trans-70.3123.7175.4-51.60000109.4L462 A566 K567 L568T407-L462 HydrophobicContact CG2-CD1 4.16Å; T407-A566 PolarHBondContact N-O 3.07Å; T407-A566 VanDerWaalsContact N-O 3.11Å; T407-K567 WeakPolarHBondContact O-CA 3.44Å; T407-L568 PolarHBondContact O-N 2.91Å
408T75.3Confident86.5Confident41 Ų4156.8 Ų56.825%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-133147.6-177.6-38.10000108.6T394 V406 M570T394-T408 VanDerWaalsContact CB-OG1 3.26Å; T394-T408 WeakPolarHBondContact CB-OG1 3.4Å; T394-T408 PolarHBondContact OG1-OG1 3.33Å; V406-T408 PolarHBondContact O-N 3.33Å; V406-T408 PolarHBondContact O-OG1 3.41Å; T408-M570 HydrophobicContact CG2-CE 4.14Å
409I64.9Low87.1Confident127 Ų12754 Ų5465%0.65130%0.303SS*.  trans-110.328.8-172.6-35.1176000110.9
410G64.9Low87.6Confident45 Ų4545.7 Ų45.746%0.46427%0.269SS..  trans-93.6125.4-171.700000112.5
411L77.4Confident88Confident63 Ų6341.7 Ų41.733%0.3325%0.249SC..  trans-111.4134173.9-62.8154.2000108.9L294 Q414 E437L294-L411 WeakPolarHBondContact CD1-O 3.37Å; L411-Q414 PolarHBondContact O-NE2 3.06Å; L411-E437 VanDerWaalsContact CD1-OE1 3.29Å; L411-E437 WeakPolarHBondContact CD1-OE1 3.28Å; L411-E437 WeakPolarHBondContact CD1-OE2 3.39Å; L411-E437 WeakPolarHBondContact CD2-OE1 3.25Å
412V88.3Confident88.5Confident9 Ų942.7 Ų42.76%0.05526%0.259CS..SBendtrans-84.7165.5175.3-55.80000110.8L294 A296 I322 A390 V392 K434L294-V412 VanDerWaalsContact O-CA 3.23Å; L294-V412 WeakPolarHBondContact O-CA 3.48Å; L294-V412 WeakPolarHBondContact O-CB 3.15Å; A296-V412 HydrophobicContact CB-CB 4.26Å; A296-V412 HydrophobicContact CB-CG1 4.18Å; A296-V412 HydrophobicContact CB-CG2 4.33Å; I322-V412 HydrophobicContact CD1-CG1 3.68Å; I322-V412 HydrophobicContact CG1-CG1 4.49Å; A390-V412 HydrophobicContact CB-CG2 4.32Å; A390-V412 WeakPolarHBondContact O-CG2 3.41Å; V392-V412 HydrophobicContact CG2-CG1 3.47Å; V392-V412 VanDerWaalsContact CG2-CG1 3.47Å; V412-K434 PolarHBondContact O-NZ 3.33Å
413G92.3Very high88.8Confident0 Ų042.8 Ų42.80%026%0.259CS..SBendtrans73.642.5171.700000114.2N292 Y293 L294 K434N292-G413 WeakPolarHBondContact OD1-CA 3.17Å; Y293-G413 PolarHBondContact O-N 3.49Å; L294-G413 PolarHBondContact O-N 3.45Å; L294-G413 VanDerWaalsContact O-N 3.11Å; G413-K434 VanDerWaalsContact O-CE 3.22Å; G413-K434 WeakPolarHBondContact O-CE 3.21Å; G413-K434 PolarHBondContact O-NZ 3.18Å
414Q92.9Very high89.1Confident45 Ų4541 Ų4121%0.2125%0.247CC..EExtended strand (participates in β ladder)trans-97.4152.1-173.3-65.8-1692300112.7Y293 L294 L411 I416Y293-Q414 VanDerWaalsContact CB-O 3.32Å; Y293-Q414 WeakPolarHBondContact CB-O 3.46Å; Y293-Q414 PolarHBondContact N-O 3.27Å; Y293-Q414 PolarHBondContact O-N 2.97Å; L294-Q414 HydrophobicContact CD1-CG 4.29Å; L411-Q414 PolarHBondContact O-NE2 3.06Å; Q414-I416 PolarHBondContact O-N 3.29Å; Q414-I416 VanDerWaalsContact O-N 3.13Å
415M96.3Very high89.6Confident66 Ų6641.9 Ų41.933%0.32525%0.253SS..EExtended strand (participates in β ladder)trans48.743.7168.6-54.9-69.1-87.300112.3I167 Y293 S417 T430I167-M415 HydrophobicContact CD1-CB 4.27Å; I167-M415 HydrophobicContact CD1-CE 4.34Å; Y293-M415 HydrophobicContact CD2-CB 3.89Å; Y293-M415 VanDerWaalsContact CD2-O 3.31Å; Y293-M415 WeakPolarHBondContact CD2-O 3.37Å; Y293-M415 HydrophobicContact CE2-CB 4.43Å; Y293-M415 WeakPolarHBondContact CE2-O 3.17Å; M415-S417 PolarHBondContact O-N 2.94Å; M415-S417 VanDerWaalsContact O-N 3.12Å; M415-S417 PolarHBondContact O-OG 2.53Å; M415-T430 WeakPolarHBondContact CA-OG1 3.46Å; M415-T430 PolarHBondContact N-OG1 3.08Å
416I98.5Very high90.1Very high0 Ų038.6 Ų38.60%024%0.237CC..EExtended strand (participates in β ladder)trans-60.4120.7-177.8-54.1178000107.6I290 T291 N292 V388 Q414 I429 T430 Y433I290-I416 HydrophobicContact CG2-CG2 3.45Å; I290-I416 VanDerWaalsContact CG2-CG2 3.45Å; T291-I416 CarbonylContact O-C 3.56Å; T291-I416 VanDerWaalsContact O-CA 3.27Å; T291-I416 WeakPolarHBondContact O-CA 3.35Å; N292-I416 HydrophobicContact CB-CG1 4.41Å; V388-I416 HydrophobicContact CB-CD1 4.47Å; V388-I416 HydrophobicContact CG1-CD1 3.81Å; Q414-I416 PolarHBondContact O-N 3.29Å; Q414-I416 VanDerWaalsContact O-N 3.13Å; I416-I429 HydrophobicContact CB-CG1 4.28Å; I416-I429 HydrophobicContact CG2-CD1 4.17Å; I416-I429 HydrophobicContact CG2-CG1 3.82Å; I416-I429 WeakPolarHBondContact O-CG1 3.07Å; I416-I429 PolarHBondContact O-N 2.91Å; I416-T430 HydrophobicContact CD1-CG2 4.47Å; I416-T430 HydrophobicContact CG1-CG2 4.37Å; I416-T430 PolarHBondContact N-OG1 2.92Å; I416-Y433 HydrophobicContact CD1-CD1 4.38Å; I416-Y433 HydrophobicContact CD1-CD2 3.8Å; I416-Y433 HydrophobicContact CD1-CG 3.7Å; I416-Y433 HydrophobicContact CG2-CD2 4.09Å; I416-Y433 HydrophobicContact CG2-CE2 4Å
417S98.8Very high90.8Very high0 Ų041.5 Ų41.50%025%0.25CS..EExtended strand (participates in β ladder)trans-128143.5-161.8-650000112.5I290 T291 M415 R426 E427I290-S417 WeakPolarHBondContact CA-O 3.31Å; T291-S417 PolarHBondContact N-O 3.23Å; T291-S417 PolarHBondContact O-N 3.43Å; M415-S417 PolarHBondContact O-N 2.94Å; M415-S417 VanDerWaalsContact O-N 3.12Å; M415-S417 PolarHBondContact O-OG 2.53Å; S417-R426 WeakPolarHBondContact OG-CD 3.39Å; S417-R426 PolarHBondContact OG-NH1 2.82Å; S417-E427 WeakPolarHBondContact CA-O 3.31Å
418T98.8Very high91.6Very high3 Ų341.7 Ų41.72%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-139164.1168.3-179.10000109.8F160 V289 I290 E427 I429F160-T418 VanDerWaalsContact CE2-C 3.41Å; F160-T418 WeakPolarHBondContact CE2-O 3.45Å; V289-T418 PolarHBondContact O-OG1 3.15Å; I290-T418 HydrophobicContact CD1-CG2 4.43Å; T418-E427 HydrophobicContact CG2-CB 3.99Å; T418-E427 HydrophobicContact CG2-CG 4.48Å; T418-E427 PolarHBondContact N-O 2.88Å; T418-E427 VanDerWaalsContact N-O 3.08Å; T418-E427 PolarHBondContact O-N 2.89Å; T418-I429 HydrophobicContact CG2-CD1 4.22Å; T418-I429 HydrophobicContact CG2-CG2 3.85Å
419K98.6Very high92.7Very high17 Ų1739.7 Ų39.77%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-68.8134.6171.5-179.2-177.3169.5-61.90108.7E150 I158 F160 S423E150-K419 IonicContact OE1-NZ 3.7Å; E150-K419 PolarHBondContact OE1-NZ 3.01Å; E150-K419 IonicContact OE2-NZ 2.74Å; E150-K419 PolarHBondContact OE2-NZ 3.11Å; I158-K419 HydrophobicContact CB-CB 4.42Å; I158-K419 HydrophobicContact CB-CD 4.15Å; I158-K419 HydrophobicContact CB-CG 4.37Å; I158-K419 HydrophobicContact CG1-CD 4.26Å; F160-K419 HydrophobicContact CE2-CB 4.34Å; K419-S423 WeakPolarHBondContact CE-O 3.44Å; K419-S423 WeakPolarHBondContact CG-O 3.33Å; K419-S423 PolarHBondContact NZ-O 3.45Å
420S98.2Very high94.3Very high18 Ų1834.8 Ų34.813%0.12621%0.213CC..PPolyproline II helixtrans-69149.8175.7-54.80000111.9G422 S423 S425 E427S420-G422 PolarHBondContact O-N 2.77Å; S420-S423 PolarHBondContact O-N 3.36Å; S420-S425 VanDerWaalsContact CB-OG 3.27Å; S420-S425 WeakPolarHBondContact CB-OG 3.41Å; S420-S425 PolarHBondContact N-O 3.16Å; S420-S425 PolarHBondContact OG-O 2.72Å; S420-S425 VanDerWaalsContact OG-O 3.09Å; S420-S425 PolarHBondContact OG-OG 2.79Å; S420-E427 PolarHBondContact OG-N 2.87Å
421V98.3Very high95.9Very high38 Ų3837.8 Ų37.823%0.2322%0.215CC..THydrogen-bonded Turntrans-59.6124174.6178.10000110.8Q146 N147 E150 Y151 S423Q146-V421 HydrophobicContact CB-CG1 3.87Å; Q146-V421 WeakPolarHBondContact O-CG1 3.34Å; N147-V421 WeakPolarHBondContact OD1-CG2 3.17Å; E150-V421 HydrophobicContact CB-CB 4.39Å; E150-V421 HydrophobicContact CB-CG1 4.04Å; E150-V421 HydrophobicContact CB-CG2 4.31Å; E150-V421 HydrophobicContact CG-CG2 4.32Å; Y151-V421 HydrophobicContact CE1-CG2 4.26Å; Y151-V421 HydrophobicContact CE2-CG2 3.87Å; Y151-V421 WeakPolarHBondContact OH-CG2 3.43Å; V421-S423 PolarHBondContact O-N 2.64Å; V421-S423 VanDerWaalsContact O-N 3.17Å
422G95.5Very high96.9Very high70 Ų7037.2 Ų37.272%0.72221%0.212SC*.THydrogen-bonded Turntrans70.67.8174.800000115.3E150 S420E150-G422 PolarHBondContact OE2-N 2.91Å; S420-G422 PolarHBondContact O-N 2.77Å
423S95.8Very high97.4Very high48 Ų4836.8 Ų36.834%0.33621%0.21SC..SBendtrans-141.2154.3-173.9167.40000111.4K419 S420 V421 S425K419-S423 WeakPolarHBondContact CE-O 3.44Å; K419-S423 WeakPolarHBondContact CG-O 3.33Å; K419-S423 PolarHBondContact NZ-O 3.45Å; S420-S423 PolarHBondContact O-N 3.36Å; V421-S423 PolarHBondContact O-N 2.64Å; V421-S423 VanDerWaalsContact O-N 3.17Å; S423-S425 VanDerWaalsContact OG-CB 3.29Å; S423-S425 WeakPolarHBondContact OG-CB 3.16Å; S423-S425 PolarHBondContact OG-N 2.81Å; S423-S425 PolarHBondContact OG-OG 2.8Å
424D96.6Very high97.6Very high37 Ų3737.8 Ų37.820%0.19821%0.214CC..SBendtrans-851.7171.6-75.4-20.4000113I158 K655 Y671 N673I158-D424 HydrophobicContact CD1-CB 3.45Å; I158-D424 VanDerWaalsContact CD1-CB 3.45Å; I158-D424 VanDerWaalsContact CD1-O 3.32Å; I158-D424 WeakPolarHBondContact CD1-O 3.4Å; D424-K655 IonicContact OD1-NZ 2.79Å; D424-K655 PolarHBondContact OD1-NZ 3.11Å; D424-K655 IonicContact OD2-NZ 3.86Å; D424-K655 PolarHBondContact OD2-NZ 3.35Å; D424-Y671 VanDerWaalsContact OD2-CE2 3.28Å; D424-Y671 WeakPolarHBondContact OD2-CE2 3.29Å; D424-N673 PolarHBondContact OD2-ND2 2.82Å; D424-N673 PolarHBondContact OD2-OD1 3.44Å
425S97.8Very high97.7Very high56 Ų5637.8 Ų37.839%0.39221%0.212SC..SBendtrans-68.2155.8176.259.90000112.3S420 S423S420-S425 VanDerWaalsContact CB-OG 3.27Å; S420-S425 WeakPolarHBondContact CB-OG 3.41Å; S420-S425 PolarHBondContact N-O 3.16Å; S420-S425 PolarHBondContact OG-O 2.72Å; S420-S425 VanDerWaalsContact OG-O 3.09Å; S420-S425 PolarHBondContact OG-OG 2.79Å; S423-S425 VanDerWaalsContact OG-CB 3.29Å; S423-S425 WeakPolarHBondContact OG-CB 3.16Å; S423-S425 PolarHBondContact OG-N 2.81Å; S423-S425 PolarHBondContact OG-OG 2.8Å
426R98.1Very high97.6Very high81 Ų8139.3 Ų39.331%0.30623%0.227SC..EExtended strand (participates in β ladder)trans-77131.1168.2-169.5-169.577.692.4-1.6110.1F160 S417 D428F160-R426 HydrophobicContact CD1-CB 4.27Å; F160-R426 HydrophobicContact CD1-CG 4.1Å; F160-R426 HydrophobicContact CD2-CG 4.35Å; F160-R426 HydrophobicContact CE1-CB 3.58Å; F160-R426 HydrophobicContact CE1-CG 3.87Å; F160-R426 HydrophobicContact CE2-CB 4.32Å; F160-R426 HydrophobicContact CE2-CG 4.17Å; F160-R426 HydrophobicContact CG-CG 4.33Å; F160-R426 VanDerWaalsContact CZ-CA 3.41Å; F160-R426 HydrophobicContact CZ-CB 3.62Å; F160-R426 HydrophobicContact CZ-CG 3.92Å; S417-R426 WeakPolarHBondContact OG-CD 3.39Å; S417-R426 PolarHBondContact OG-NH1 2.82Å; R426-D428 IonicContact CZ-OD2 3.68Å; R426-D428 IonicContact NH1-OD2 2.86Å; R426-D428 PolarHBondContact NH1-OD2 2.68Å; R426-D428 IonicContact NH2-OD2 3.31Å; R426-D428 PolarHBondContact NH2-OD2 3.26Å
427E98.6Very high97.1Very high63 Ų6344.1 Ų44.129%0.29425%0.249SC..EExtended strand (participates in β ladder)trans-100130.1163.2-172.2-178.6171.500109.2S417 T418 S420 I429S417-E427 WeakPolarHBondContact CA-O 3.31Å; T418-E427 HydrophobicContact CG2-CB 3.99Å; T418-E427 HydrophobicContact CG2-CG 4.48Å; T418-E427 PolarHBondContact N-O 2.88Å; T418-E427 VanDerWaalsContact N-O 3.08Å; T418-E427 PolarHBondContact O-N 2.89Å; S420-E427 PolarHBondContact OG-N 2.87Å; E427-I429 HydrophobicContact CG-CG2 3.94Å
428D98.5Very high96.4Very high48 Ų4846.5 Ų46.526%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-90.8116172.8-159.9-59000110.4R426 T430 H431R426-D428 IonicContact CZ-OD2 3.68Å; R426-D428 IonicContact NH1-OD2 2.86Å; R426-D428 PolarHBondContact NH1-OD2 2.68Å; R426-D428 IonicContact NH2-OD2 3.31Å; R426-D428 PolarHBondContact NH2-OD2 3.26Å; D428-T430 VanDerWaalsContact OD1-CB 3.23Å; D428-T430 WeakPolarHBondContact OD1-CB 3.27Å; D428-T430 PolarHBondContact OD1-N 2.95Å; D428-T430 PolarHBondContact OD1-OG1 3Å; D428-H431 PolarHBondContact O-CE1 3.05Å; D428-H431 PolarHBondContact O-ND1 3.31Å
429I98.7Very high96.1Very high0 Ų047.4 Ų47.40%028%0.281CS..  trans-113.617.3-178.664.2164.9000112.4I290 E330 I416 T418 E427 H431 L432 Y433I290-I429 HydrophobicContact CD1-CD1 3.53Å; I290-I429 HydrophobicContact CG1-CD1 4.38Å; I290-I429 HydrophobicContact CG2-CD1 4.22Å; E330-I429 WeakPolarHBondContact OE1-CD1 3.41Å; I416-I429 HydrophobicContact CB-CG1 4.28Å; I416-I429 HydrophobicContact CG2-CD1 4.17Å; I416-I429 HydrophobicContact CG2-CG1 3.82Å; I416-I429 WeakPolarHBondContact O-CG1 3.07Å; I416-I429 PolarHBondContact O-N 2.91Å; T418-I429 HydrophobicContact CG2-CD1 4.22Å; T418-I429 HydrophobicContact CG2-CG2 3.85Å; E427-I429 HydrophobicContact CG-CG2 3.94Å; I429-H431 PolarHBondContact O-N 2.86Å; I429-H431 VanDerWaalsContact O-N 3.17Å; I429-L432 HydrophobicContact CB-CD1 3.91Å; I429-L432 HydrophobicContact CB-CG 4.19Å; I429-L432 HydrophobicContact CG2-CD1 4.11Å; I429-L432 WeakPolarHBondContact O-CB 3.4Å; I429-L432 PolarHBondContact O-N 3.32Å; I429-Y433 HydrophobicContact CD1-CE2 4.07Å
430T98.4Very high95.8Very high24 Ų2452.9 Ų52.915%0.14731%0.311CS..Hα-helixtrans-53.7-40.1179.5-500000111.6M415 I416 D428 L432 Y433 K434M415-T430 WeakPolarHBondContact CA-OG1 3.46Å; M415-T430 PolarHBondContact N-OG1 3.08Å; I416-T430 HydrophobicContact CD1-CG2 4.47Å; I416-T430 HydrophobicContact CG1-CG2 4.37Å; I416-T430 PolarHBondContact N-OG1 2.92Å; D428-T430 VanDerWaalsContact OD1-CB 3.23Å; D428-T430 WeakPolarHBondContact OD1-CB 3.27Å; D428-T430 PolarHBondContact OD1-N 2.95Å; D428-T430 PolarHBondContact OD1-OG1 3Å; T430-L432 PolarHBondContact O-N 3.31Å; T430-L432 VanDerWaalsContact O-N 3.11Å; T430-Y433 PolarHBondContact O-N 3.34Å; T430-K434 HydrophobicContact CG2-CD 3.83Å; T430-K434 HydrophobicContact CG2-CG 3.89Å; T430-K434 PolarHBondContact O-N 3.31Å; T430-K434 VanDerWaalsContact O-N 3.15Å
431H98.1Very high95.7Very high107 Ų10756.7 Ų56.750%0.49533%0.326SS..Hα-helixtrans-63.6-13.2178.569.5-81.4000114.5K371 D428 I429K371-H431 WeakPolarHBondContact CE-O 3.35Å; K371-H431 PolarHBondContact NZ-O 3.5Å; D428-H431 PolarHBondContact O-CE1 3.05Å; D428-H431 PolarHBondContact O-ND1 3.31Å; I429-H431 PolarHBondContact O-N 2.86Å; I429-H431 VanDerWaalsContact O-N 3.17Å
432L98.4Very high95.5Very high52 Ų5255.7 Ų55.727%0.27232%0.319SS..Hα-helixtrans-85.3-20.3173.7-56.8-175.2000112.8L367 I429 T430L367-L432 HydrophobicContact CD2-CB 3.9Å; L367-L432 HydrophobicContact CD2-CD1 4.25Å; I429-L432 HydrophobicContact CB-CD1 3.91Å; I429-L432 HydrophobicContact CB-CG 4.19Å; I429-L432 HydrophobicContact CG2-CD1 4.11Å; I429-L432 WeakPolarHBondContact O-CB 3.4Å; I429-L432 PolarHBondContact O-N 3.32Å; T430-L432 PolarHBondContact O-N 3.31Å; T430-L432 VanDerWaalsContact O-N 3.11Å
433Y98.3Very high95.2Very high0 Ų057.9 Ų57.90%031%0.306CS..Hα-helixtrans-101-26.9-179.9-78.8-96.9000113.5W328 E330 A347 L367 I370 K371 V388 I416 I429 T430W328-Y433 HydrophobicContact CZ2-CD1 4.45Å; W328-Y433 AromaticContact CZ2-CE1 3.65Å; W328-Y433 HydrophobicContact CZ2-CE1 3.65Å; W328-Y433 HydrophobicContact CZ2-CE2 4.45Å; W328-Y433 AromaticContact CZ2-CZ 3.66Å; W328-Y433 AromaticContact NE1-CZ 3.84Å; W328-Y433 PolarHBondContact NE1-OH 2.94Å; E330-Y433 WeakPolarHBondContact OE1-CE2 3.29Å; E330-Y433 VanDerWaalsContact OE1-CZ 3.25Å; E330-Y433 PolarHBondContact OE1-OH 3.36Å; A347-Y433 HydrophobicContact CB-CE1 4.48Å; L367-Y433 HydrophobicContact CD1-CE1 4.26Å; L367-Y433 HydrophobicContact CD1-CE2 4.38Å; L367-Y433 HydrophobicContact CD2-CD2 4.24Å; L367-Y433 HydrophobicContact CD2-CE2 3.67Å; L367-Y433 HydrophobicContact CG-CD2 4.34Å; L367-Y433 HydrophobicContact CG-CE1 4.09Å; L367-Y433 HydrophobicContact CG-CE2 3.82Å; I370-Y433 HydrophobicContact CG2-CD1 4.09Å; K371-Y433 VanDerWaalsContact CA-O 3.25Å; K371-Y433 WeakPolarHBondContact CA-O 3.28Å; V388-Y433 HydrophobicContact CG1-CD1 4.14Å; I416-Y433 HydrophobicContact CD1-CD1 4.38Å; I416-Y433 HydrophobicContact CD1-CD2 3.8Å; I416-Y433 HydrophobicContact CD1-CG 3.7Å; I416-Y433 HydrophobicContact CG2-CD2 4.09Å; I416-Y433 HydrophobicContact CG2-CE2 4Å; I429-Y433 HydrophobicContact CD1-CE2 4.07Å; T430-Y433 PolarHBondContact O-N 3.34Å
434K95.8Very high95.1Very high21 Ų2162.5 Ų62.59%0.09132%0.322CS..  trans-148.1153-175.861.7177.269.3-178.80112V388 V412 G413 T430V388-K434 VanDerWaalsContact O-CE 3.25Å; V388-K434 WeakPolarHBondContact O-CE 3.24Å; V388-K434 PolarHBondContact O-NZ 3.43Å; V412-K434 PolarHBondContact O-NZ 3.33Å; G413-K434 VanDerWaalsContact O-CE 3.22Å; G413-K434 WeakPolarHBondContact O-CE 3.21Å; G413-K434 PolarHBondContact O-NZ 3.18Å; T430-K434 HydrophobicContact CG2-CD 3.83Å; T430-K434 HydrophobicContact CG2-CG 3.89Å; T430-K434 PolarHBondContact O-N 3.31Å; T430-K434 VanDerWaalsContact O-N 3.15Å
435Y96.4Very high94.9Very high45 Ų4561 Ų6118%0.17632%0.315CS..PPolyproline II helixtrans-76.5161.4168.5-71.3-75.1000111.1K371 E372 E441 A445K371-Y435 HydrophobicContact CG-CD2 4.09Å; K371-Y435 HydrophobicContact CG-CE2 3.8Å; K371-Y435 WeakPolarHBondContact O-CE2 3.37Å; E372-Y435 PolarHBondContact OE1-OH 3.45Å; E372-Y435 WeakPolarHBondContact OE2-CE2 3.34Å; E372-Y435 PolarHBondContact OE2-OH 3.29Å; Y435-E441 HydrophobicContact CD1-CB 3.49Å; Y435-E441 VanDerWaalsContact CD1-CB 3.49Å; Y435-E441 HydrophobicContact CD1-CG 4.2Å; Y435-E441 HydrophobicContact CD2-CB 3.84Å; Y435-E441 HydrophobicContact CE1-CB 3.68Å; Y435-E441 HydrophobicContact CE1-CG 4.1Å; Y435-E441 HydrophobicContact CE2-CB 4.02Å; Y435-E441 HydrophobicContact CG-CB 3.57Å; Y435-A445 HydrophobicContact CD2-CB 4.35Å
436P93.4Very high94.6Very high98 Ų9858.6 Ų58.664%0.63630%0.297SS*.PPolyproline II helixtrans-56.8138.3173-2434.9000111.7G438 S439P436-G438 PolarHBondContact O-N 3.43Å; P436-S439 VanDerWaalsContact O-CB 3.27Å; P436-S439 WeakPolarHBondContact O-CB 3.34Å; P436-S439 PolarHBondContact O-N 3.36Å; P436-S439 PolarHBondContact O-OG 3.3Å
437E87.6Confident94.2Very high100 Ų10058.9 Ų58.947%0.46731%0.308SS..THydrogen-bonded Turntrans-61.2135.1-179.5-63.8-178.1173.700111.8L411 S439 E442L411-E437 VanDerWaalsContact CD1-OE1 3.29Å; L411-E437 WeakPolarHBondContact CD1-OE1 3.28Å; L411-E437 WeakPolarHBondContact CD1-OE2 3.39Å; L411-E437 WeakPolarHBondContact CD2-OE1 3.25Å; E437-S439 VanDerWaalsContact C-N 3.31Å; E437-E442 WeakPolarHBondContact CA-OE2 3.18Å
438G84.9Confident93.9Very high50 Ų5060.9 Ų60.952%0.51532%0.316SS..THydrogen-bonded Turntrans83.1-3.8-177.600000115.2P436 E442P436-G438 PolarHBondContact O-N 3.43Å; G438-E442 PolarHBondContact N-OE2 2.75Å
439S91.7Very high93.4Very high23 Ų2359 Ų5916%0.16131%0.307CS..  trans-72.1159178.364.40000113.1P436 E437 E441 E442 R443P436-S439 VanDerWaalsContact O-CB 3.27Å; P436-S439 WeakPolarHBondContact O-CB 3.34Å; P436-S439 PolarHBondContact O-N 3.36Å; P436-S439 PolarHBondContact O-OG 3.3Å; E437-S439 VanDerWaalsContact C-N 3.31Å; S439-E441 VanDerWaalsContact C-N 3.29Å; S439-E441 WeakPolarHBondContact CB-OE2 3.27Å; S439-E441 PolarHBondContact O-N 2.87Å; S439-E442 PolarHBondContact O-N 3.02Å; S439-E442 WeakPolarHBondContact OG-CB 3.39Å; S439-E442 PolarHBondContact OG-N 2.81Å; S439-R443 WeakPolarHBondContact O-CG 3.21Å; S439-R443 PolarHBondContact O-N 3.04Å
440D93.6Very high92.8Very high132 Ų13264.2 Ų64.271%0.70634%0.335SS*.Hα-helixtrans-66-36.6176.9-69.8-29.1000110.8R443 E444D440-R443 PolarHBondContact O-N 3.28Å; D440-E444 PolarHBondContact O-N 2.82Å
441E96.1Very high91.8Very high97 Ų9763.3 Ų63.345%0.45333%0.329SS..Hα-helixtrans-65.8-38.7177.1-59.190.2156.200112.1Y435 S439 R443 E444 A445Y435-E441 HydrophobicContact CD1-CB 3.49Å; Y435-E441 VanDerWaalsContact CD1-CB 3.49Å; Y435-E441 HydrophobicContact CD1-CG 4.2Å; Y435-E441 HydrophobicContact CD2-CB 3.84Å; Y435-E441 HydrophobicContact CE1-CB 3.68Å; Y435-E441 HydrophobicContact CE1-CG 4.1Å; Y435-E441 HydrophobicContact CE2-CB 4.02Å; Y435-E441 HydrophobicContact CG-CB 3.57Å; S439-E441 VanDerWaalsContact C-N 3.29Å; S439-E441 WeakPolarHBondContact CB-OE2 3.27Å; S439-E441 PolarHBondContact O-N 2.87Å; E441-R443 VanDerWaalsContact C-N 3.34Å; E441-E444 PolarHBondContact O-N 3.36Å; E441-A445 WeakPolarHBondContact O-CB 3.43Å; E441-A445 PolarHBondContact O-N 2.53Å
442E92.9Very high90.4Very high17 Ų1763.7 Ų63.78%0.07933%0.331CS..Hα-helixtrans-60.7-44.9172.5-171.3-159.6-156.100110.7E437 G438 S439 E444 A445 F446 K454E437-E442 WeakPolarHBondContact CA-OE2 3.18Å; G438-E442 PolarHBondContact N-OE2 2.75Å; S439-E442 PolarHBondContact O-N 3.02Å; S439-E442 WeakPolarHBondContact OG-CB 3.39Å; S439-E442 PolarHBondContact OG-N 2.81Å; E442-E444 PolarHBondContact O-N 3.2Å; E442-A445 PolarHBondContact O-N 3.38Å; E442-F446 HydrophobicContact CG-CD2 3.96Å; E442-F446 HydrophobicContact CG-CE1 4.4Å; E442-F446 HydrophobicContact CG-CE2 3.32Å; E442-F446 HydrophobicContact CG-CZ 3.58Å; E442-F446 WeakPolarHBondContact O-CG 3.27Å; E442-F446 PolarHBondContact O-N 3.25Å; E442-F446 WeakPolarHBondContact OE1-CE2 3.49Å; E442-F446 WeakPolarHBondContact OE1-CZ 3.36Å; E442-K454 IonicContact OE1-NZ 3.9Å; E442-K454 PolarHBondContact OE1-NZ 2.62Å
443R89.3Confident88.9Confident116 Ų11664.9 Ų64.944%0.43834%0.338SS..Hα-helixtrans-65.1-39179.1-68.8178.7-178.1-80.7-2.2112.2S439 D440 E441 F446 T447 L455S439-R443 WeakPolarHBondContact O-CG 3.21Å; S439-R443 PolarHBondContact O-N 3.04Å; D440-R443 PolarHBondContact O-N 3.28Å; E441-R443 VanDerWaalsContact C-N 3.34Å; R443-F446 PolarHBondContact O-N 3.45Å; R443-T447 WeakPolarHBondContact O-CB 3.31Å; R443-T447 PolarHBondContact O-N 2.68Å; R443-T447 PolarHBondContact O-OG1 3.19Å; R443-L455 HydrophobicContact CB-CD2 4.37Å
444E93.6Very high87.3Confident145 Ų14566.6 Ų66.668%0.67835%0.345SS*.Hα-helixtrans-64.1-46.6175.2-172.2174.3-178.900111.1D440 E441 E442 F446 T447 K448D440-E444 PolarHBondContact O-N 2.82Å; E441-E444 PolarHBondContact O-N 3.36Å; E442-E444 PolarHBondContact O-N 3.2Å; E444-F446 VanDerWaalsContact C-N 3.33Å; E444-F446 PolarHBondContact O-N 3.09Å; E444-T447 WeakPolarHBondContact O-CB 3.25Å; E444-T447 PolarHBondContact O-N 3.42Å; E444-K448 PolarHBondContact O-N 3.32Å
445A93.3Very high85.6Confident5 Ų568.4 Ų68.44%0.04136%0.356CS..Hα-helixtrans-59.1-42.2176.300000112.1Y435 E441 E442 K448 A449Y435-A445 HydrophobicContact CD2-CB 4.35Å; E441-A445 WeakPolarHBondContact O-CB 3.43Å; E441-A445 PolarHBondContact O-N 2.53Å; E442-A445 PolarHBondContact O-N 3.38Å; A445-K448 WeakPolarHBondContact O-CB 3.34Å; A445-K448 PolarHBondContact O-N 2.96Å; A445-A449 WeakPolarHBondContact O-CB 3.18Å; A445-A449 PolarHBondContact O-N 3.12Å
446F90.9Very high84.1Confident7 Ų772.5 Ų72.53%0.03138%0.38CS..Hα-helixtrans-68.8-36175.4-69.1-19.5000113.8F385 N389 E442 R443 E444 K448 A449 N450 H451 K454 L455F385-F446 HydrophobicContact CE1-CD1 4.41Å; F385-F446 HydrophobicContact CE1-CE1 4.45Å; F385-F446 AromaticContact CZ-CD1 3.85Å; F385-F446 HydrophobicContact CZ-CD1 3.85Å; F385-F446 AromaticContact CZ-CE1 3.93Å; F385-F446 HydrophobicContact CZ-CE1 3.93Å; N389-F446 HydrophobicContact CB-CE1 3.99Å; E442-F446 HydrophobicContact CG-CD2 3.96Å; E442-F446 HydrophobicContact CG-CE1 4.4Å; E442-F446 HydrophobicContact CG-CE2 3.32Å; E442-F446 HydrophobicContact CG-CZ 3.58Å; E442-F446 WeakPolarHBondContact O-CG 3.27Å; E442-F446 PolarHBondContact O-N 3.25Å; E442-F446 WeakPolarHBondContact OE1-CE2 3.49Å; E442-F446 WeakPolarHBondContact OE1-CZ 3.36Å; R443-F446 PolarHBondContact O-N 3.45Å; E444-F446 VanDerWaalsContact C-N 3.33Å; E444-F446 PolarHBondContact O-N 3.09Å; F446-K448 VanDerWaalsContact C-N 3.29Å; F446-K448 PolarHBondContact O-N 3.18Å; F446-A449 CarbonylContact O-C 3.58Å; F446-A449 PolarHBondContact O-N 2.9Å; F446-N450 PolarHBondContact O-N 3.32Å; F446-H451 HydrophobicContact CB-CB 4.09Å; F446-H451 HydrophobicContact CD1-CB 4.43Å; F446-H451 HydrophobicContact CG-CB 4.37Å; F446-H451 PolarHBondContact O-N 3.33Å; F446-K454 HydrophobicContact CD2-CB 3.86Å; F446-K454 HydrophobicContact CD2-CD 3.67Å; F446-K454 HydrophobicContact CD2-CG 4.38Å; F446-K454 HydrophobicContact CE1-CD 4.42Å; F446-K454 HydrophobicContact CE2-CB 4.17Å; F446-K454 HydrophobicContact CE2-CD 3.07Å; F446-K454 HydrophobicContact CE2-CG 4.2Å; F446-K454 HydrophobicContact CZ-CD 3.53Å; F446-L455 HydrophobicContact CB-CD2 4.23Å; F446-L455 HydrophobicContact CB-CG 4.48Å
447T89.9Confident82.6Confident87 Ų8773.3 Ų73.353%0.53438%0.375SS..Hα-helixtrans-60.4-44.5172.9-590000110.2R443 E444 N450R443-T447 WeakPolarHBondContact O-CB 3.31Å; R443-T447 PolarHBondContact O-N 2.68Å; R443-T447 PolarHBondContact O-OG1 3.19Å; E444-T447 WeakPolarHBondContact O-CB 3.25Å; E444-T447 PolarHBondContact O-N 3.42Å; T447-N450 PolarHBondContact O-N 3Å; T447-N450 VanDerWaalsContact O-N 3.1Å
448K91.6Very high81Confident104 Ų10476.9 Ų76.945%0.45239%0.392SS..Hα-helixtrans-65.6-39.7178-161.1-174.8-158.7167.60113.1E372 E374 E444 A445 F446 N450E372-K448 WeakPolarHBondContact O-CD 3.16Å; E374-K448 HydrophobicContact CG-CD 4.38Å; E374-K448 WeakPolarHBondContact OE1-CE 3.49Å; E374-K448 IonicContact OE1-NZ 3.56Å; E374-K448 PolarHBondContact OE1-NZ 3.14Å; E374-K448 WeakPolarHBondContact OE2-CE 3.48Å; E374-K448 IonicContact OE2-NZ 3.38Å; E444-K448 PolarHBondContact O-N 3.32Å; A445-K448 WeakPolarHBondContact O-CB 3.34Å; A445-K448 PolarHBondContact O-N 2.96Å; F446-K448 VanDerWaalsContact C-N 3.29Å; F446-K448 PolarHBondContact O-N 3.18Å; K448-N450 PolarHBondContact O-N 2.89Å
449A88.1Confident79.4Confident10 Ų1082.1 Ų82.18%0.08341%0.408CS..THydrogen-bonded Turntrans-72.9-3.517400000113.7L375 F385 A445 F446 H451L375-A449 HydrophobicContact CD1-CB 3.72Å; L375-A449 HydrophobicContact CG-CB 4.04Å; F385-A449 HydrophobicContact CE1-CB 3.83Å; F385-A449 HydrophobicContact CE2-CB 4.38Å; F385-A449 HydrophobicContact CZ-CB 3.71Å; A445-A449 WeakPolarHBondContact O-CB 3.18Å; A445-A449 PolarHBondContact O-N 3.12Å; F446-A449 CarbonylContact O-C 3.58Å; F446-A449 PolarHBondContact O-N 2.9Å; A449-H451 PolarHBondContact O-N 3.38Å
450N85.8Confident77.6Confident109 Ų10984.8 Ų84.858%0.58343%0.425SS*.THydrogen-bonded Turntrans5536.4-172.6-167.640.2000113.4F446 T447 K448 Q452F446-N450 PolarHBondContact O-N 3.32Å; T447-N450 PolarHBondContact O-N 3Å; T447-N450 VanDerWaalsContact O-N 3.1Å; K448-N450 PolarHBondContact O-N 2.89Å; N450-Q452 VanDerWaalsContact C-N 3.29Å; N450-Q452 PolarHBondContact O-N 3.2Å; N450-Q452 PolarHBondContact OD1-NE2 3.13Å
451H77.6Confident75.8Confident4 Ų485.6 Ų85.62%0.01943%0.429CS..  trans-84.769.1178.8-163.8-14.7000111.2L303 N389 D391 F446 A449 N453 K454L303-H451 HydrophobicContact CD1-CB 3.85Å; L303-H451 PolarHBondContact O-CE1 2.82Å; L303-H451 VanDerWaalsContact O-CE1 3.29Å; L303-H451 PolarHBondContact O-NE2 3.04Å; N389-H451 PolarHBondContact O-NE2 3.22Å; D391-H451 IonicContact OD2-CE1 3.47Å; D391-H451 PolarHBondContact OD2-CE1 3.45Å; D391-H451 VanDerWaalsContact OD2-CE1 3.31Å; D391-H451 IonicContact OD2-NE2 3.5Å; F446-H451 HydrophobicContact CB-CB 4.09Å; F446-H451 HydrophobicContact CD1-CB 4.43Å; F446-H451 HydrophobicContact CG-CB 4.37Å; F446-H451 PolarHBondContact O-N 3.33Å; A449-H451 PolarHBondContact O-N 3.38Å; H451-N453 PolarHBondContact O-N 2.86Å; H451-K454 PolarHBondContact O-N 3.21Å
452Q69.9Low74.3Confident116 Ų11683 Ų8354%0.54242%0.418SS..Hα-helixtrans-62.4-30.1-172.7-63.6-173.42.100113.3N450 L455 L456N450-Q452 VanDerWaalsContact C-N 3.29Å; N450-Q452 PolarHBondContact O-N 3.2Å; N450-Q452 PolarHBondContact OD1-NE2 3.13Å; Q452-L455 PolarHBondContact O-N 3.31Å; Q452-L456 WeakPolarHBondContact O-CD1 3.37Å; Q452-L456 VanDerWaalsContact O-CG 3.26Å; Q452-L456 WeakPolarHBondContact O-CG 3.19Å; Q452-L456 PolarHBondContact O-N 3.06Å
453N66.3Low73.8Confident77 Ų7783.1 Ų83.141%0.41242%0.424SS..Hα-helixtrans-64.5-44-179.1-84-7.7000112.2V304 H451 L455 L456 Q457V304-N453 HydrophobicContact CG2-CB 4.05Å; V304-N453 WeakPolarHBondContact CG2-ND2 3.46Å; H451-N453 PolarHBondContact O-N 2.86Å; N453-L455 VanDerWaalsContact C-N 3.32Å; N453-L455 PolarHBondContact O-N 3.32Å; N453-L456 PolarHBondContact O-N 2.88Å; N453-Q457 WeakPolarHBondContact O-CG 3.38Å; N453-Q457 PolarHBondContact O-N 2.82Å
454K64.2Low73.7Confident36 Ų3678.1 Ų78.116%0.15741%0.406CS..Hα-helixtrans-65.3-34.9175.2-94.6-146.2168.3-167.30113.4D391 E442 F446 H451 L456 Q457D391-K454 WeakPolarHBondContact OD1-CE 3.27Å; D391-K454 WeakPolarHBondContact OD1-CG 3.39Å; D391-K454 WeakPolarHBondContact OD2-CG 3.16Å; D391-K454 PolarHBondContact OD2-N 3.26Å; E442-K454 IonicContact OE1-NZ 3.9Å; E442-K454 PolarHBondContact OE1-NZ 2.62Å; F446-K454 HydrophobicContact CD2-CB 3.86Å; F446-K454 HydrophobicContact CD2-CD 3.67Å; F446-K454 HydrophobicContact CD2-CG 4.38Å; F446-K454 HydrophobicContact CE1-CD 4.42Å; F446-K454 HydrophobicContact CE2-CB 4.17Å; F446-K454 HydrophobicContact CE2-CD 3.07Å; F446-K454 HydrophobicContact CE2-CG 4.2Å; F446-K454 HydrophobicContact CZ-CD 3.53Å; H451-K454 PolarHBondContact O-N 3.21Å; K454-L456 PolarHBondContact O-N 3.16Å; K454-Q457 PolarHBondContact O-N 3.03Å
455L61Low73.4Confident58 Ų5874.1 Ų74.130%0.30439%0.387SS..Hα-helixtrans-67.2-26.9178.5-64.3173.8000112.7R443 F446 Q452 N453R443-L455 HydrophobicContact CB-CD2 4.37Å; F446-L455 HydrophobicContact CB-CD2 4.23Å; F446-L455 HydrophobicContact CB-CG 4.48Å; Q452-L455 PolarHBondContact O-N 3.31Å; N453-L455 VanDerWaalsContact C-N 3.32Å; N453-L455 PolarHBondContact O-N 3.32Å
456L64.4Low73.4Confident131 Ų13174.1 Ų74.169%0.68639%0.386SS*.THydrogen-bonded Turntrans-95.1-4.5-177.8-65.2170000113.9Q452 N453 K454 E458Q452-L456 WeakPolarHBondContact O-CD1 3.37Å; Q452-L456 VanDerWaalsContact O-CG 3.26Å; Q452-L456 WeakPolarHBondContact O-CG 3.19Å; Q452-L456 PolarHBondContact O-N 3.06Å; N453-L456 PolarHBondContact O-N 2.88Å; K454-L456 PolarHBondContact O-N 3.16Å; L456-E458 PolarHBondContact O-N 3.44Å
457Q62.6Low73.5Confident115 Ų11576.5 Ų76.554%0.53740%0.402SS..  trans-72.9111.8177.8-76.6-175.928.100110.9D391 N453 K454D391-Q457 PolarHBondContact OD1-NE2 3.17Å; D391-Q457 PolarHBondContact OD2-NE2 3.47Å; N453-Q457 WeakPolarHBondContact O-CG 3.38Å; N453-Q457 PolarHBondContact O-N 2.82Å; K454-Q457 PolarHBondContact O-N 3.03Å
458E53.4Low73.7Confident176 Ų17673.1 Ų73.182%0.82238%0.38SS*.  trans-82.2144.7165-67.4-177.1163.100110.4L456 P460L456-E458 PolarHBondContact O-N 3.44Å; E458-P460 WeakPolarHBondContact O-CD 3.46Å; E458-P460 VanDerWaalsContact O-N 3.1Å
459N51.1Low73.9Confident160 Ų16072.7 Ų72.786%0.85638%0.378SS*.  trans-57.7113.1172.7-98.7-24.2000109.3D461N459-D461 VanDerWaalsContact C-N 3.29Å; N459-D461 PolarHBondContact O-N 2.95Å
460P54.2Low74.1Confident79 Ų7973.8 Ų73.851%0.51338%0.384SS..  trans-79.387.2174.512.13.1000107.5E458 L462E458-P460 WeakPolarHBondContact O-CD 3.46Å; E458-P460 VanDerWaalsContact O-N 3.1Å; P460-L462 HydrophobicContact CB-CD1 3.64Å; P460-L462 HydrophobicContact CB-CG 3.87Å; P460-L462 PolarHBondContact O-N 3.48Å
461D56.2Low74.2Confident149 Ų14970.6 Ų70.680%0.79737%0.368SS*.  trans-71.983.4165.7-163.410000108.4N459N459-D461 VanDerWaalsContact C-N 3.29Å; N459-D461 PolarHBondContact O-N 2.95Å
462L64.9Low74.4Confident42 Ų4275.3 Ų75.322%0.2240%0.399CS..  trans-110.6100.2-174.2-76.3171.7000107.7T407 P460 L464 H465 K567T407-L462 HydrophobicContact CG2-CD1 4.16Å; P460-L462 HydrophobicContact CB-CD1 3.64Å; P460-L462 HydrophobicContact CB-CG 3.87Å; P460-L462 PolarHBondContact O-N 3.48Å; L462-L464 PolarHBondContact O-N 3.06Å; L462-H465 PolarHBondContact O-NE2 3.15Å; L462-K567 PolarHBondContact O-NZ 2.78Å
463G80.8Confident74.9Confident19 Ų1975.9 Ų75.920%0.19641%0.406CS..SBendtrans-43.1-24.1-168.700000119.9H489G463-H489 WeakPolarHBondContact O-CA 3.41Å; G463-H489 VanDerWaalsContact O-CB 3.29Å; G463-H489 WeakPolarHBondContact O-CB 3.15Å; G463-H489 PolarHBondContact O-N 2.82Å
464L87.2Confident76.1Confident11 Ų1173.2 Ų73.26%0.05839%0.391CS..EExtended strand (participates in β ladder)trans-89126.7172.6-85.2162.4000111.8L462 V486 T487 N488 K494 L525 L558 D560 K567L462-L464 PolarHBondContact O-N 3.06Å; L464-V486 HydrophobicContact CD2-CG1 4.44Å; L464-T487 CarbonylContact C-O 3.54Å; L464-T487 WeakPolarHBondContact CA-O 3.47Å; L464-N488 HydrophobicContact CD2-CB 3.98Å; L464-K494 HydrophobicContact CD1-CB 4.11Å; L464-K494 HydrophobicContact CD1-CD 3.97Å; L464-K494 HydrophobicContact CD1-CG 3.83Å; L464-K494 HydrophobicContact CD2-CB 4.15Å; L464-K494 HydrophobicContact CD2-CG 4.16Å; L464-K494 HydrophobicContact CG-CG 4.09Å; L464-L525 HydrophobicContact CD2-CD1 4.01Å; L464-L558 HydrophobicContact CB-CD2 4.24Å; L464-L558 HydrophobicContact CD2-CD2 4.36Å; L464-D560 HydrophobicContact CD1-CB 3.81Å; L464-K567 WeakPolarHBondContact O-CD 3.49Å; L464-K567 WeakPolarHBondContact O-CE 3.36Å; L464-K567 PolarHBondContact O-NZ 3.02Å
465H88.9Confident77.4Confident62 Ų6278 Ų7829%0.28741%0.409SS..EExtended strand (participates in β ladder)trans-115.7145.1176.9-71.9-104.8000111.6L462 V486 T487 H489L462-H465 PolarHBondContact O-NE2 3.15Å; H465-V486 CarbonylContact O-C 3.43Å; H465-V486 VanDerWaalsContact O-CA 3.24Å; H465-V486 WeakPolarHBondContact O-CA 3.2Å; H465-V486 WeakPolarHBondContact O-CG1 3.11Å; H465-T487 PolarHBondContact N-O 2.65Å; H465-T487 PolarHBondContact O-N 2.8Å; H465-H489 AromaticContact CD2-CD2 3.51Å
466V92Very high78.9Confident4 Ų476.4 Ų76.42%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-128.2131.1171.159.60000109.2V485 V486 L498 A556 L558 K567 A569V466-V485 CarbonylContact C-O 3.58Å; V466-V485 WeakPolarHBondContact CA-O 3.42Å; V466-V486 HydrophobicContact CG2-CG2 4.3Å; V466-L498 HydrophobicContact CG2-CD1 4.43Å; V466-A556 HydrophobicContact CG2-CB 3.84Å; V466-L558 HydrophobicContact CB-CB 4.26Å; V466-L558 HydrophobicContact CB-CD2 4.43Å; V466-L558 HydrophobicContact CG1-CB 4.27Å; V466-K567 HydrophobicContact CG1-CB 3.9Å; V466-A569 HydrophobicContact CG1-CB 4.08Å; V466-A569 HydrophobicContact CG2-CB 4.24Å
467T93.4Very high80.3Confident58 Ų5870.7 Ų70.736%0.35637%0.371SS..EExtended strand (participates in β ladder)trans-138.1156.8178.362.10000110.8V485T467-V485 PolarHBondContact N-O 2.88Å; T467-V485 PolarHBondContact O-N 2.91Å
468I94.4Very high81.7Confident15 Ų1567.1 Ų67.18%0.07736%0.359CS..EExtended strand (participates in β ladder)trans-112115.7178.2-61173.5000110V470 F483 F500 L554 A556 A569 R571I468-V470 HydrophobicContact CG2-CG1 4.46Å; I468-F483 CarbonylContact C-O 3.5Å; I468-F483 WeakPolarHBondContact CA-O 3.14Å; I468-F500 HydrophobicContact CD1-CE2 4.23Å; I468-F500 HydrophobicContact CG1-CE2 4.33Å; I468-F500 HydrophobicContact CG2-CZ 4.41Å; I468-L554 HydrophobicContact CD1-CB 3.86Å; I468-L554 HydrophobicContact CG2-CB 4.19Å; I468-L554 HydrophobicContact CG2-CD1 3.63Å; I468-A556 HydrophobicContact CD1-CB 4.1Å; I468-A556 HydrophobicContact CG1-CB 4.03Å; I468-A569 HydrophobicContact CD1-CB 4.2Å; I468-A569 WeakPolarHBondContact CD1-O 3.45Å; I468-A569 HydrophobicContact CG1-CB 4.04Å; I468-R571 HydrophobicContact CB-CB 4.12Å; I468-R571 HydrophobicContact CD1-CB 4.16Å; I468-R571 HydrophobicContact CG2-CB 4.15Å; I468-R571 PolarHBondContact O-NH1 3.5Å
469K94.6Very high83.7Confident95 Ų9562.2 Ų62.241%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-103.7148.3173.3-60.4-172-172.1167.60109.7F483 V485K469-F483 HydrophobicContact CB-CB 4.45Å; K469-F483 PolarHBondContact N-O 3.45Å; K469-F483 PolarHBondContact O-N 3.02Å; K469-V485 HydrophobicContact CB-CG2 4.39Å; K469-V485 HydrophobicContact CD-CG2 3.79Å; K469-V485 HydrophobicContact CG-CG2 3.92Å
470V93.5Very high85.8Confident34 Ų3455 Ų5521%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-130.7153.2-177.3-56.40000109.1I468 M474 V482 L554 R571 I573I468-V470 HydrophobicContact CG2-CG1 4.46Å; V470-M474 HydrophobicContact CB-CE 3.95Å; V470-M474 HydrophobicContact CB-SD 3.94Å; V470-M474 HydrophobicContact CG1-CE 4.49Å; V470-M474 HydrophobicContact CG1-SD 4.43Å; V470-M474 HydrophobicContact CG2-CE 3.74Å; V470-M474 HydrophobicContact CG2-SD 4.4Å; V470-V482 HydrophobicContact CB-CG1 4.33Å; V470-V482 HydrophobicContact CG1-CB 4.39Å; V470-V482 HydrophobicContact CG1-CG1 3.99Å; V470-L554 HydrophobicContact CG1-CD1 4.07Å; V470-R571 VanDerWaalsContact CG2-NH2 3.29Å; V470-I573 HydrophobicContact CG1-CG2 3.74Å
471T88.4Confident87.8Confident41 Ų4153.4 Ų53.425%0.25229%0.286SS..  trans-70.9153.4168.752.50000110.9D481 F483T471-D481 WeakPolarHBondContact CG2-O 3.5Å; T471-D481 PolarHBondContact OG1-O 2.95Å; T471-F483 HydrophobicContact CG2-CE2 3.87Å; T471-F483 HydrophobicContact CG2-CZ 4.48Å
472P81.5Confident89.7Confident103 Ų10346.3 Ų46.367%0.66925%0.248SC*.SBendtrans-61.7163.5162.229-33.5000110.5
473D79.1Confident91.2Very high129 Ų12945.6 Ų45.669%0.6924%0.244SC*.  trans6445.3169.4-48.3-39.3000116.2R475D473-R475 PolarHBondContact O-N 2.88Å
474M92.3Very high91.9Very high21 Ų2144.7 Ų44.710%0.10323%0.234CC..  trans-77.997.1171.6-63.1175.5-67.300110.1V470 F480 V482 I573 L575 D576V470-M474 HydrophobicContact CB-CE 3.95Å; V470-M474 HydrophobicContact CB-SD 3.94Å; V470-M474 HydrophobicContact CG1-CE 4.49Å; V470-M474 HydrophobicContact CG1-SD 4.43Å; V470-M474 HydrophobicContact CG2-CE 3.74Å; V470-M474 HydrophobicContact CG2-SD 4.4Å; M474-F480 HydrophobicContact CB-CD1 4.45Å; M474-F480 HydrophobicContact CB-CD2 4.37Å; M474-F480 HydrophobicContact CB-CE2 4.4Å; M474-F480 HydrophobicContact CB-CG 4.4Å; M474-F480 HydrophobicContact CG-CB 4.45Å; M474-F480 HydrophobicContact CG-CD1 4.49Å; M474-F480 HydrophobicContact CG-CD2 3.66Å; M474-F480 HydrophobicContact CG-CE2 3.97Å; M474-F480 HydrophobicContact CG-CG 3.95Å; M474-F480 HydrophobicContact SD-CD2 3.88Å; M474-F480 HydrophobicContact SD-CE2 3.79Å; M474-V482 HydrophobicContact SD-CG1 4.38Å; M474-I573 HydrophobicContact CE-CB 4.01Å; M474-I573 HydrophobicContact CE-CG2 4.03Å; M474-I573 HydrophobicContact SD-CB 4.22Å; M474-I573 HydrophobicContact SD-CD1 3.8Å; M474-I573 HydrophobicContact SD-CG2 4.22Å; M474-L575 HydrophobicContact CB-CD2 4.14Å; M474-L575 WeakPolarHBondContact O-CA 3.45Å; M474-D576 PolarHBondContact O-N 3.43Å
475R92.2Very high92.4Very high137 Ų13744.2 Ų44.252%0.51723%0.232SC..BIsolated β-bridgetrans-104.1145.2-179.9-66.5-177.9-68.7176.70.9111.9D473 G477 C478 D576D473-R475 PolarHBondContact O-N 2.88Å; R475-G477 PolarHBondContact O-N 2.79Å; R475-C478 PolarHBondContact O-N 2.96Å; R475-D576 HydrophobicContact CG-CB 4.14Å
476K91.9Very high92.6Very high24 Ų2441.2 Ų41.210%0.10422%0.218CC..THydrogen-bonded Turntrans-60.2130.3171.6-172.1178-169.3159.30109.4N550 L575 D576 L604 L665K476-N550 WeakPolarHBondContact CD-OD1 3.26Å; K476-N550 WeakPolarHBondContact CE-OD1 3.36Å; K476-N550 PolarHBondContact NZ-OD1 3.12Å; K476-L575 HydrophobicContact CB-CB 4.25Å; K476-D576 PolarHBondContact N-O 2.89Å; K476-L604 HydrophobicContact CG-CD2 4.29Å; K476-L665 HydrophobicContact CD-CD1 3.98Å
477G92.7Very high92.7Very high10 Ų1042 Ų4210%0.10322%0.223CC..THydrogen-bonded Turntrans98-10-176.800000114.7R475 Y539 Y542R475-G477 PolarHBondContact O-N 2.79Å; G477-Y539 VanDerWaalsContact CA-CD2 3.41Å; G477-Y542 PolarHBondContact N-OH 2.82Å
478C93.3Very high92.7Very high41 Ų4139.3 Ų39.328%0.27721%0.206SC..  trans-108.2150.1-177.5-66.30000112.8R475 F480 Y542R475-C478 PolarHBondContact O-N 2.96Å; C478-F480 WeakPolarHBondContact O-CD1 3.34Å; C478-Y542 PolarHBondContact N-OH 2.91Å; C478-Y542 WeakPolarHBondContact O-CE1 3.43Å; C478-Y542 PolarHBondContact O-OH 3.44Å
479D95.2Very high92.5Very high72 Ų7244.5 Ų44.539%0.38523%0.23SC..  trans-83.8139.8167.9-63.3-13.7000110.5L537 N538 Y539D479-L537 WeakPolarHBondContact CA-O 3.48Å; D479-N538 WeakPolarHBondContact OD1-CA 3.4Å; D479-N538 PolarHBondContact OD2-OD1 2.92Å; D479-Y539 PolarHBondContact OD1-N 3.03Å
480F95.4Very high92.2Very high10 Ų1041.7 Ų41.74%0.04422%0.221CC..EExtended strand (participates in β ladder)trans-150.8166.3-179.357.4-90.1000112.4M474 C478 V482 L537 Y542 I552 I573 L575M474-F480 HydrophobicContact CB-CD1 4.45Å; M474-F480 HydrophobicContact CB-CD2 4.37Å; M474-F480 HydrophobicContact CB-CE2 4.4Å; M474-F480 HydrophobicContact CB-CG 4.4Å; M474-F480 HydrophobicContact CG-CB 4.45Å; M474-F480 HydrophobicContact CG-CD1 4.49Å; M474-F480 HydrophobicContact CG-CD2 3.66Å; M474-F480 HydrophobicContact CG-CE2 3.97Å; M474-F480 HydrophobicContact CG-CG 3.95Å; M474-F480 HydrophobicContact SD-CD2 3.88Å; M474-F480 HydrophobicContact SD-CE2 3.79Å; C478-F480 WeakPolarHBondContact O-CD1 3.34Å; F480-V482 HydrophobicContact CD2-CG1 4.14Å; F480-V482 HydrophobicContact CE2-CG1 4.11Å; F480-L537 HydrophobicContact CD2-CB 4.47Å; F480-L537 HydrophobicContact CE1-CB 4.49Å; F480-L537 HydrophobicContact CE2-CB 4.06Å; F480-L537 HydrophobicContact CE2-CD1 3.65Å; F480-L537 HydrophobicContact CE2-CG 4.22Å; F480-L537 HydrophobicContact CZ-CB 4.04Å; F480-L537 HydrophobicContact CZ-CD1 3.87Å; F480-L537 PolarHBondContact N-O 2.92Å; F480-L537 VanDerWaalsContact N-O 3.08Å; F480-L537 PolarHBondContact O-N 3.03Å; F480-Y542 AromaticContact CE1-CE1 3.82Å; F480-Y542 HydrophobicContact CE1-CE1 3.82Å; F480-Y542 HydrophobicContact CZ-CE1 4.49Å; F480-I552 HydrophobicContact CZ-CD1 4.39Å; F480-I573 HydrophobicContact CE2-CD1 3.55Å; F480-I573 HydrophobicContact CZ-CD1 3.87Å; F480-L575 HydrophobicContact CE1-CD2 3.69Å; F480-L575 HydrophobicContact CE2-CD2 4.43Å; F480-L575 HydrophobicContact CZ-CD2 3.47Å; F480-L575 VanDerWaalsContact CZ-CD2 3.47Å
481D95.2Very high91.9Very high44 Ų4449.3 Ų49.324%0.23525%0.254CS..EExtended strand (participates in β ladder)trans-113.7138.4-177.6-71.7-64.5000111.8T471 F483 R536T471-D481 WeakPolarHBondContact CG2-O 3.5Å; T471-D481 PolarHBondContact OG1-O 2.95Å; D481-F483 HydrophobicContact CB-CE2 4.15Å; D481-F483 HydrophobicContact CB-CZ 3.83Å; D481-R536 VanDerWaalsContact CG-CD 3.49Å; D481-R536 WeakPolarHBondContact OD1-CA 3.29Å; D481-R536 VanDerWaalsContact OD1-CB 3.26Å; D481-R536 WeakPolarHBondContact OD1-CB 3.39Å; D481-R536 WeakPolarHBondContact OD1-CD 3.44Å; D481-R536 WeakPolarHBondContact OD2-CD 3.44Å; D481-R536 IonicContact OD2-CZ 3.84Å; D481-R536 IonicContact OD2-NH1 2.82Å; D481-R536 PolarHBondContact OD2-NH1 3.41Å
482V96.4Very high91.9Very high0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-122.1159.6171.1-59.40000109.5V470 M474 F480 F500 P534 L535 L554 I573V470-V482 HydrophobicContact CB-CG1 4.33Å; V470-V482 HydrophobicContact CG1-CB 4.39Å; V470-V482 HydrophobicContact CG1-CG1 3.99Å; M474-V482 HydrophobicContact SD-CG1 4.38Å; F480-V482 HydrophobicContact CD2-CG1 4.14Å; F480-V482 HydrophobicContact CE2-CG1 4.11Å; V482-F500 HydrophobicContact CB-CZ 4.4Å; V482-F500 HydrophobicContact CG2-CE1 4.12Å; V482-F500 HydrophobicContact CG2-CZ 3.74Å; V482-P534 CarbonylContact O-C 3.43Å; V482-P534 WeakPolarHBondContact O-CA 3.46Å; V482-L535 HydrophobicContact CG2-CB 3.93Å; V482-L535 HydrophobicContact CG2-CD2 4.24Å; V482-L535 HydrophobicContact CG2-CG 4.33Å; V482-L535 WeakPolarHBondContact CG2-O 3.36Å; V482-L535 PolarHBondContact N-O 3.42Å; V482-L535 PolarHBondContact O-N 2.76Å; V482-L554 HydrophobicContact CB-CD1 3.89Å; V482-L554 HydrophobicContact CG1-CD1 3.86Å; V482-L554 HydrophobicContact CG2-CD1 3.99Å; V482-L554 HydrophobicContact CG2-CD2 3.91Å; V482-I573 HydrophobicContact CG1-CD1 4.43Å
483F96.8Very high92.3Very high27 Ų2749.4 Ų49.412%0.11825%0.252CS..EExtended strand (participates in β ladder)trans-135.9127.6-168.7-52.7-91.9000112I468 K469 T471 D481 R532 V533 P534I468-F483 CarbonylContact C-O 3.5Å; I468-F483 WeakPolarHBondContact CA-O 3.14Å; K469-F483 HydrophobicContact CB-CB 4.45Å; K469-F483 PolarHBondContact N-O 3.45Å; K469-F483 PolarHBondContact O-N 3.02Å; T471-F483 HydrophobicContact CG2-CE2 3.87Å; T471-F483 HydrophobicContact CG2-CZ 4.48Å; D481-F483 HydrophobicContact CB-CE2 4.15Å; D481-F483 HydrophobicContact CB-CZ 3.83Å; F483-R532 HydrophobicContact CB-CG 3.99Å; F483-R532 HydrophobicContact CD1-CG 3.8Å; F483-R532 HydrophobicContact CG-CG 4.19Å; F483-R532 VanDerWaalsContact CG-NE 3.26Å; F483-V533 WeakPolarHBondContact CA-O 3.4Å; F483-P534 HydrophobicContact CD1-CB 3.8Å; F483-P534 HydrophobicContact CE1-CB 3.71Å
484A96.6Very high93Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-85.7125.7161.100000108.3L498 F500 V533 A556A484-L498 HydrophobicContact CB-CD2 4.04Å; A484-F500 HydrophobicContact CB-CB 4.44Å; A484-F500 HydrophobicContact CB-CD1 3.69Å; A484-F500 HydrophobicContact CB-CD2 4.16Å; A484-F500 HydrophobicContact CB-CE1 3.85Å; A484-F500 HydrophobicContact CB-CE2 4.3Å; A484-F500 HydrophobicContact CB-CG 3.86Å; A484-F500 HydrophobicContact CB-CZ 4.16Å; A484-V533 PolarHBondContact N-O 3.18Å; A484-V533 PolarHBondContact O-N 2.9Å; A484-A556 HydrophobicContact CB-CB 3.96Å
485V95.7Very high93Very high1 Ų149.1 Ų49.11%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-113.8117.9178.5-179.10000108V466 T467 K469 E530 R531 R532V466-V485 CarbonylContact C-O 3.58Å; V466-V485 WeakPolarHBondContact CA-O 3.42Å; T467-V485 PolarHBondContact N-O 2.88Å; T467-V485 PolarHBondContact O-N 2.91Å; K469-V485 HydrophobicContact CB-CG2 4.39Å; K469-V485 HydrophobicContact CD-CG2 3.79Å; K469-V485 HydrophobicContact CG-CG2 3.92Å; V485-E530 HydrophobicContact CG1-CG 3.46Å; V485-E530 VanDerWaalsContact CG1-CG 3.46Å; V485-E530 WeakPolarHBondContact CG1-OE1 3.38Å; V485-E530 WeakPolarHBondContact CG1-OE2 3.42Å; V485-R531 WeakPolarHBondContact CA-O 3.49Å; V485-R532 HydrophobicContact CG2-CG 4.17Å
486V94.7Very high93.1Very high0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-111.3127.2179.6-170.20000109L464 H465 V466 L498 L525 E530 R531 L558L464-V486 HydrophobicContact CD2-CG1 4.44Å; H465-V486 CarbonylContact O-C 3.43Å; H465-V486 VanDerWaalsContact O-CA 3.24Å; H465-V486 WeakPolarHBondContact O-CA 3.2Å; H465-V486 WeakPolarHBondContact O-CG1 3.11Å; V466-V486 HydrophobicContact CG2-CG2 4.3Å; V486-L498 HydrophobicContact CG2-CD1 4.08Å; V486-L498 HydrophobicContact CG2-CD2 4.03Å; V486-L525 HydrophobicContact CB-CD1 4.04Å; V486-L525 HydrophobicContact CG1-CD1 3.35Å; V486-E530 CarbonylContact O-C 3.59Å; V486-E530 WeakPolarHBondContact O-CA 3.47Å; V486-R531 PolarHBondContact N-O 2.93Å; V486-R531 PolarHBondContact O-N 3.35Å; V486-L558 HydrophobicContact CG1-CD1 3.83Å; V486-L558 HydrophobicContact CG1-CD2 3.53Å; V486-L558 HydrophobicContact CG1-CG 4.32Å; V486-L558 HydrophobicContact CG2-CD1 4.08Å
487T93.1Very high93.2Very high21 Ų2143.9 Ų43.913%0.12922%0.224CC..EExtended strand (participates in β ladder)trans-123.3133-178.2-47.40000109.8L464 H465 H489 E530L464-T487 CarbonylContact C-O 3.54Å; L464-T487 WeakPolarHBondContact CA-O 3.47Å; H465-T487 PolarHBondContact N-O 2.65Å; H465-T487 PolarHBondContact O-N 2.8Å; T487-H489 VanDerWaalsContact CG2-NE2 3.28Å; T487-H489 WeakPolarHBondContact CG2-NE2 3.34Å; T487-E530 HydrophobicContact CG2-CB 4.5Å
488N93.2Very high93.4Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-105.1105.3177.2-179.617.1000110.6L464 T490 G492 L525 P526 G528 A529L464-N488 HydrophobicContact CD2-CB 3.98Å; N488-T490 WeakPolarHBondContact OD1-CB 3.22Å; N488-T490 PolarHBondContact OD1-N 3.41Å; N488-T490 PolarHBondContact OD1-OG1 2.61Å; N488-G492 PolarHBondContact ND2-O 3.2Å; N488-L525 HydrophobicContact CB-CB 3.97Å; N488-L525 PolarHBondContact ND2-O 3.15Å; N488-P526 PolarHBondContact ND2-O 2.85Å; N488-P526 VanDerWaalsContact ND2-O 3.15Å; N488-G528 CarbonylContact O-C 3.59Å; N488-G528 WeakPolarHBondContact O-CA 3.44Å; N488-G528 PolarHBondContact O-N 2.99Å; N488-A529 PolarHBondContact N-O 3.2Å
489H90.3Very high93.4Very high124 Ų12441.6 Ų41.657%0.57421%0.207SC*.  trans-959.3172.5-59.3-76.2000113.1G463 H465 T487G463-H489 WeakPolarHBondContact O-CA 3.41Å; G463-H489 VanDerWaalsContact O-CB 3.29Å; G463-H489 WeakPolarHBondContact O-CB 3.15Å; G463-H489 PolarHBondContact O-N 2.82Å; H465-H489 AromaticContact CD2-CD2 3.51Å; T487-H489 VanDerWaalsContact CG2-NE2 3.28Å; T487-H489 WeakPolarHBondContact CG2-NE2 3.34Å
490T88.5Confident93.4Very high36 Ų3638.2 Ų38.222%0.22119%0.188CC..SBendtrans-83.6159.1171.171.80000111.4N488 G492 K494 P527N488-T490 WeakPolarHBondContact OD1-CB 3.22Å; N488-T490 PolarHBondContact OD1-N 3.41Å; N488-T490 PolarHBondContact OD1-OG1 2.61Å; T490-G492 PolarHBondContact O-N 2.89Å; T490-G492 PolarHBondContact OG1-O 2.66Å; T490-K494 WeakPolarHBondContact OG1-CE 3.14Å; T490-P527 WeakPolarHBondContact O-CA 3.16Å; T490-P527 WeakPolarHBondContact O-CB 3.14Å
491E87.8Confident93.3Very high194 Ų19438.3 Ų38.391%0.90719%0.192SC*.SBendtrans-74.4-10.8176.7-59.9-176168.600113.6P527E491-P527 WeakPolarHBondContact O-CG 3.43Å
492G88.1Confident93.2Very high35 Ų3536.5 Ų36.536%0.36118%0.183SC..SBendtrans-109.6154.3-176.100000113.6N488 T490N488-G492 PolarHBondContact ND2-O 3.2Å; T490-G492 PolarHBondContact O-N 2.89Å; T490-G492 PolarHBondContact OG1-O 2.66Å
493E90.9Very high93Very high111 Ų11137.8 Ų37.852%0.51919%0.191SC..  trans-65.2136.3168.6-173.9-176-172.600110.2L525E493-L525 WeakPolarHBondContact CA-O 3.36Å
494K92.1Very high92.8Very high26 Ų2636.5 Ų36.511%0.11319%0.186CC..EExtended strand (participates in β ladder)trans-113.5136.1178.8-66.7-67.2-170.7163.80111.4L464 T490 Q524 L525 D560 S562L464-K494 HydrophobicContact CD1-CB 4.11Å; L464-K494 HydrophobicContact CD1-CD 3.97Å; L464-K494 HydrophobicContact CD1-CG 3.83Å; L464-K494 HydrophobicContact CD2-CB 4.15Å; L464-K494 HydrophobicContact CD2-CG 4.16Å; L464-K494 HydrophobicContact CG-CG 4.09Å; T490-K494 WeakPolarHBondContact OG1-CE 3.14Å; K494-Q524 WeakPolarHBondContact O-CA 3.45Å; K494-L525 HydrophobicContact CB-CB 4.36Å; K494-L525 PolarHBondContact N-O 3.35Å; K494-L525 PolarHBondContact O-N 3.49Å; K494-D560 IonicContact NZ-OD2 2.81Å; K494-D560 PolarHBondContact NZ-OD2 3.47Å; K494-S562 PolarHBondContact NZ-OG 3.47Å
495K93.4Very high92.5Very high119 Ų11936.5 Ų36.552%0.51719%0.186SC..EExtended strand (participates in β ladder)trans-109.7118169.8-69.1-177.2-178175.40108.3Q524 Y561K495-Q524 HydrophobicContact CG-CG 4.33Å; K495-Y561 HydrophobicContact CB-CD2 4.35Å; K495-Y561 WeakPolarHBondContact O-CB 3.29Å; K495-Y561 WeakPolarHBondContact O-CD2 3.42Å; K495-Y561 PolarHBondContact O-N 3.48Å; K495-Y561 VanDerWaalsContact O-N 3.12Å
496C94.3Very high92.1Very high0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-128.9155.1-174.1-530000111.9V523 L558 H559C496-V523 HydrophobicContact CB-CB 4.43Å; C496-V523 PolarHBondContact N-O 2.81Å; C496-V523 PolarHBondContact O-N 2.96Å; C496-L558 HydrophobicContact CB-CD1 3.58Å; C496-L558 HydrophobicContact CB-CG 4.29Å; C496-H559 CarbonylContact C-O 3.51Å; C496-H559 WeakPolarHBondContact CA-O 3.25Å; C496-H559 WeakPolarHBondContact CB-O 3.4Å
497R94.4Very high91.8Very high51 Ų5136.6 Ų36.619%0.19219%0.187CC..EExtended strand (participates in β ladder)trans-95.1134.3157.8178.5177178.1-142.91.3108.9V499 D519 L520 L521 L558 H559 Y561R497-V499 HydrophobicContact CG-CG2 4.21Å; R497-D519 IonicContact CZ-OD1 3.6Å; R497-D519 IonicContact CZ-OD2 3.36Å; R497-D519 IonicContact NE-OD1 3.69Å; R497-D519 PolarHBondContact NE-OD1 3.46Å; R497-D519 IonicContact NE-OD2 2.75Å; R497-D519 PolarHBondContact NE-OD2 3.07Å; R497-D519 IonicContact NH2-OD1 2.71Å; R497-D519 IonicContact NH2-OD2 3Å; R497-D519 PolarHBondContact NH2-OD2 3.07Å; R497-L520 CarbonylContact C-O 3.45Å; R497-L520 VanDerWaalsContact CA-O 3.3Å; R497-L520 WeakPolarHBondContact CA-O 3.36Å; R497-L521 HydrophobicContact CG-CD2 4.26Å; R497-L558 WeakPolarHBondContact O-CA 3.47Å; R497-H559 HydrophobicContact CB-CB 4.33Å; R497-H559 PolarHBondContact N-O 2.8Å; R497-H559 PolarHBondContact O-N 2.8Å; R497-Y561 HydrophobicContact CB-CE1 4.33Å; R497-Y561 HydrophobicContact CB-CE2 4.28Å; R497-Y561 WeakPolarHBondContact CB-OH 3.27Å
498L95.4Very high91.3Very high1 Ų136.5 Ų36.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-118.4115.2171.5178.969.7000109.4V466 A484 V486 L520 V523 V533 A556 L557 L558V466-L498 HydrophobicContact CG2-CD1 4.43Å; A484-L498 HydrophobicContact CB-CD2 4.04Å; V486-L498 HydrophobicContact CG2-CD1 4.08Å; V486-L498 HydrophobicContact CG2-CD2 4.03Å; L498-L520 HydrophobicContact CB-CB 4.43Å; L498-L520 HydrophobicContact CD2-CD1 4.47Å; L498-L520 PolarHBondContact N-O 2.71Å; L498-L520 PolarHBondContact O-N 3.24Å; L498-V523 HydrophobicContact CB-CG2 3.84Å; L498-V533 HydrophobicContact CD2-CB 3.96Å; L498-V533 HydrophobicContact CD2-CG1 4.31Å; L498-V533 HydrophobicContact CD2-CG2 3.72Å; L498-A556 HydrophobicContact CD1-CB 4.44Å; L498-L557 WeakPolarHBondContact CA-O 3Å; L498-L558 HydrophobicContact CB-CD1 4.33Å; L498-L558 HydrophobicContact CD1-CB 4.37Å; L498-L558 HydrophobicContact CD1-CD1 4.18Å
499V95Very high90.7Very high2 Ų236.5 Ų36.51%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-99.4122.4168.7-171.20000107.9N312 R497 F517 A556 L557N312-V499 VanDerWaalsContact O-CG1 3.24Å; N312-V499 WeakPolarHBondContact O-CG1 3.46Å; R497-V499 HydrophobicContact CG-CG2 4.21Å; V499-F517 HydrophobicContact CG1-CD2 4.43Å; V499-F517 HydrophobicContact CG1-CE2 3.35Å; V499-F517 HydrophobicContact CG1-CZ 3.52Å; V499-A556 CarbonylContact O-C 3.55Å; V499-A556 WeakPolarHBondContact O-CA 3.15Å; V499-L557 HydrophobicContact CB-CB 4.32Å; V499-L557 PolarHBondContact N-O 3.46Å; V499-L557 PolarHBondContact O-N 2.93Å
500F95Very high90.4Very high1 Ų135.2 Ų35.20%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-126.2105.2179.2-171.6-155.8000110I468 V482 A484 F517 K518 L535 L554 A555 A556I468-F500 HydrophobicContact CD1-CE2 4.23Å; I468-F500 HydrophobicContact CG1-CE2 4.33Å; I468-F500 HydrophobicContact CG2-CZ 4.41Å; V482-F500 HydrophobicContact CB-CZ 4.4Å; V482-F500 HydrophobicContact CG2-CE1 4.12Å; V482-F500 HydrophobicContact CG2-CZ 3.74Å; A484-F500 HydrophobicContact CB-CB 4.44Å; A484-F500 HydrophobicContact CB-CD1 3.69Å; A484-F500 HydrophobicContact CB-CD2 4.16Å; A484-F500 HydrophobicContact CB-CE1 3.85Å; A484-F500 HydrophobicContact CB-CE2 4.3Å; A484-F500 HydrophobicContact CB-CG 3.86Å; A484-F500 HydrophobicContact CB-CZ 4.16Å; F500-F517 CarbonylContact O-C 3.56Å; F500-F517 WeakPolarHBondContact O-CA 3.5Å; F500-K518 PolarHBondContact N-O 3.43Å; F500-K518 PolarHBondContact O-N 3.34Å; F500-L535 HydrophobicContact CD1-CB 3.62Å; F500-L535 HydrophobicContact CD1-CD2 4.2Å; F500-L535 HydrophobicContact CD2-CD2 4.49Å; F500-L535 HydrophobicContact CE1-CB 3.45Å; F500-L535 VanDerWaalsContact CE1-CB 3.45Å; F500-L535 HydrophobicContact CE1-CD2 4.21Å; F500-L535 HydrophobicContact CE1-CG 4.47Å; F500-L535 HydrophobicContact CG-CD2 4.34Å; F500-L535 HydrophobicContact CZ-CB 4.25Å; F500-L535 HydrophobicContact CZ-CD2 4.38Å; F500-L554 HydrophobicContact CE2-CB 4.31Å; F500-A555 WeakPolarHBondContact CA-O 3.35Å; F500-A555 WeakPolarHBondContact CD2-O 3.4Å; F500-A556 HydrophobicContact CD2-CB 3.86Å; F500-A556 HydrophobicContact CE2-CB 4.3Å
501G92.9Very high90.2Very high12 Ų1235.1 Ų35.112%0.12418%0.176CC..EExtended strand (participates in β ladder)trans-118.6163.6-175.400000113.1G516 A555G501-G516 CarbonylContact C-O 3.54Å; G501-A555 PolarHBondContact N-O 2.87Å; G501-A555 PolarHBondContact O-N 3.22Å
502S93.3Very high90.1Very high6 Ų627.6 Ų27.64%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-145.3144.2172.963.30000111.7N514 C515 G516 L537 R553S502-N514 WeakPolarHBondContact O-CA 3.27Å; S502-N514 PolarHBondContact O-OD1 3.22Å; S502-C515 PolarHBondContact O-N 3.49Å; S502-C515 WeakPolarHBondContact OG-CB 3.3Å; S502-G516 PolarHBondContact N-O 3.5Å; S502-G516 WeakPolarHBondContact OG-CA 3.22Å; S502-G516 PolarHBondContact OG-N 2.95Å; S502-G516 PolarHBondContact OG-O 3.45Å; S502-L537 VanDerWaalsContact OG-CD2 3.23Å; S502-L537 WeakPolarHBondContact OG-CD2 3.44Å; S502-R553 CarbonylContact C-O 3.6Å; S502-R553 WeakPolarHBondContact CA-O 3.45Å
503C92.4Very high90.1Very high26 Ų2627.1 Ų27.118%0.17615%0.146CC..EExtended strand (participates in β ladder)trans-142.1154.5173.257.10000110.6G513 I552 R553C503-G513 CarbonylContact C-O 3.57Å; C503-G513 VanDerWaalsContact CA-O 3.24Å; C503-G513 WeakPolarHBondContact CA-O 3.27Å; C503-G513 WeakPolarHBondContact CB-O 3.43Å; C503-I552 CarbonylContact O-C 3.52Å; C503-I552 WeakPolarHBondContact O-CA 3.49Å; C503-I552 WeakPolarHBondContact O-CG2 3.47Å; C503-R553 PolarHBondContact N-O 3.13Å; C503-R553 PolarHBondContact O-N 3.05Å
504A92.3Very high90.1Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-61.1149.3165.700000109.7G512 G513 C515 Q545 V546A504-G512 PolarHBondContact O-N 3.28Å; A504-G513 PolarHBondContact N-O 3.21Å; A504-C515 PolarHBondContact N-SG 3.34Å; A504-Q545 VanDerWaalsContact CB-C 3.43Å; A504-Q545 HydrophobicContact CB-CB 3.96Å; A504-Q545 WeakPolarHBondContact CB-O 3.31Å; A504-V546 HydrophobicContact CB-CG2 4.29Å
505V89.8Confident90.1Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-145.2140.4177.770.20000109F510 L511 L551 R553V505-F510 CarbonylContact C-O 3.55Å; V505-F510 VanDerWaalsContact CA-O 3.26Å; V505-F510 WeakPolarHBondContact CA-O 3.42Å; V505-F510 VanDerWaalsContact CG2-O 3.3Å; V505-F510 WeakPolarHBondContact CG2-O 3.37Å; V505-L511 HydrophobicContact CG2-CD2 4.05Å; V505-L551 HydrophobicContact CG1-CB 3.63Å; V505-L551 PolarHBondContact N-O 3.16Å; V505-L551 VanDerWaalsContact N-O 3.16Å; V505-L551 VanDerWaalsContact O-CB 3.26Å; V505-L551 WeakPolarHBondContact O-CB 3.48Å; V505-R553 HydrophobicContact CB-CB 4.22Å; V505-R553 HydrophobicContact CG1-CB 4.08Å
506S88.3Confident90Very high3 Ų319.5 Ų19.52%0.02112%0.118CC..  trans-76.7166.4167.262.50000110.4N508 G509 F510S506-N508 VanDerWaalsContact C-N 3.27Å; S506-N508 WeakPolarHBondContact CB-OD1 3.37Å; S506-N508 PolarHBondContact O-N 3.25Å; S506-N508 PolarHBondContact OG-OD1 3.32Å; S506-G509 PolarHBondContact O-N 3.11Å; S506-F510 PolarHBondContact N-O 3.08Å; S506-F510 WeakPolarHBondContact OG-CA 3.47Å; S506-F510 WeakPolarHBondContact OG-CB 3.29Å; S506-F510 PolarHBondContact OG-N 3.38Å; S506-F510 PolarHBondContact OG-O 3.23Å
507Y87.3Confident90Very high0 Ų023.4 Ų23.40%014%0.135CC..THydrogen-bonded Turntrans-64.9-29.4-178.290.1-78.8000113.7W233 Q268 C269 W270 W323 N324 Y325 G509 D549W233-Y507 AromaticContact CD1-CE1 3.66Å; W233-Y507 AromaticContact NE1-CE1 3.56Å; W233-Y507 AromaticContact NE1-CZ 3.44Å; W233-Y507 PolarHBondContact NE1-OH 2.95Å; Q268-Y507 HydrophobicContact CB-CE1 4.26Å; Q268-Y507 HydrophobicContact CG-CE1 4.19Å; C269-Y507 PolarHBondContact N-OH 3.37Å; C269-Y507 WeakPolarHBondContact SG-CE2 3.31Å; C269-Y507 PolarHBondContact SG-OH 2.92Å; W270-Y507 HydrophobicContact CE3-CE2 4.4Å; W270-Y507 HydrophobicContact CH2-CD1 4.28Å; W270-Y507 HydrophobicContact CH2-CE1 4.17Å; W270-Y507 AromaticContact CZ3-CD1 3.78Å; W270-Y507 HydrophobicContact CZ3-CD1 3.78Å; W270-Y507 HydrophobicContact CZ3-CD2 4.25Å; W270-Y507 AromaticContact CZ3-CE1 3.55Å; W270-Y507 HydrophobicContact CZ3-CE1 3.55Å; W270-Y507 HydrophobicContact CZ3-CE2 4.03Å; W270-Y507 HydrophobicContact CZ3-CG 4.11Å; W270-Y507 AromaticContact CZ3-CZ 3.64Å; W323-Y507 HydrophobicContact CE3-CD2 4.5Å; W323-Y507 AromaticContact CE3-CE2 3.65Å; W323-Y507 HydrophobicContact CE3-CE2 3.65Å; W323-Y507 AromaticContact CZ3-CE2 3.83Å; W323-Y507 HydrophobicContact CZ3-CE2 3.83Å; W323-Y507 AromaticContact CZ3-CZ 3.91Å; W323-Y507 WeakPolarHBondContact CZ3-OH 3.39Å; N324-Y507 WeakPolarHBondContact CB-O 3.01Å; N324-Y507 PolarHBondContact N-O 3.36Å; Y325-Y507 HydrophobicContact CD1-CD2 4.22Å; Y325-Y507 HydrophobicContact CD2-CD2 4.35Å; Y325-Y507 AromaticContact CE1-CD2 3.78Å; Y325-Y507 HydrophobicContact CE1-CD2 3.78Å; Y325-Y507 AromaticContact CE1-CG 3.99Å; Y325-Y507 HydrophobicContact CE1-CG 3.99Å; Y325-Y507 AromaticContact CE2-CD2 3.93Å; Y325-Y507 HydrophobicContact CE2-CD2 3.93Å; Y325-Y507 HydrophobicContact CE2-CE2 4.28Å; Y325-Y507 HydrophobicContact CG-CD2 4.47Å; Y325-Y507 AromaticContact CZ-CD2 3.59Å; Y325-Y507 AromaticContact CZ-CG 3.93Å; Y325-Y507 WeakPolarHBondContact O-CD2 3.25Å; Y507-G509 PolarHBondContact O-N 2.88Å; Y507-D549 PolarHBondContact N-OD2 3.03Å
508N82.1Confident90Very high19 Ų1924.8 Ų24.810%0.10214%0.143CC..THydrogen-bonded Turntrans-80.81.9175.871.8-24.5000113.3W233 W323 S506W233-N508 WeakPolarHBondContact CB-ND2 3.13Å; W323-N508 HydrophobicContact CD2-CB 3.79Å; W323-N508 HydrophobicContact CE3-CB 4.16Å; W323-N508 HydrophobicContact CG-CB 4.21Å; W323-N508 HydrophobicContact CH2-CB 4.42Å; W323-N508 HydrophobicContact CZ2-CB 4.07Å; W323-N508 HydrophobicContact CZ3-CB 4.47Å; S506-N508 VanDerWaalsContact C-N 3.27Å; S506-N508 WeakPolarHBondContact CB-OD1 3.37Å; S506-N508 PolarHBondContact O-N 3.25Å; S506-N508 PolarHBondContact OG-OD1 3.32Å
509G81.9Confident90Very high1 Ų127.7 Ų27.71%0.0116%0.158CC..  trans95.35.8172.300000115.7M321 S506 Y507M321-G509 WeakPolarHBondContact CE-O 3.45Å; S506-G509 PolarHBondContact O-N 3.11Å; Y507-G509 PolarHBondContact O-N 2.88Å
510F83.7Confident90Very high96 Ų9630.7 Ų30.742%0.42117%0.174SC..  trans-67.5133.1173-169.3-90.2000110.2V505 S506V505-F510 CarbonylContact C-O 3.55Å; V505-F510 VanDerWaalsContact CA-O 3.26Å; V505-F510 WeakPolarHBondContact CA-O 3.42Å; V505-F510 VanDerWaalsContact CG2-O 3.3Å; V505-F510 WeakPolarHBondContact CG2-O 3.37Å; S506-F510 PolarHBondContact N-O 3.08Å; S506-F510 WeakPolarHBondContact OG-CA 3.47Å; S506-F510 WeakPolarHBondContact OG-CB 3.29Å; S506-F510 PolarHBondContact OG-N 3.38Å; S506-F510 PolarHBondContact OG-O 3.23Å
511L83.8Confident89.9Confident34 Ų3435 Ų3518%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-90.6131.1-173.8-53.8176.9000110.4L315 V505L315-L511 HydrophobicContact CB-CD1 3.93Å; L315-L511 WeakPolarHBondContact O-CD1 3.36Å; V505-L511 HydrophobicContact CG2-CD2 4.05Å
512G85.4Confident89.9Confident37 Ų3740.9 Ų40.938%0.38123%0.225SC..EExtended strand (participates in β ladder)trans-95.6-160.3168.400000112.3A504A504-G512 PolarHBondContact O-N 3.28Å
513G88.3Confident89.8Confident25 Ų2541 Ų4126%0.25823%0.225SC..EExtended strand (participates in β ladder)trans-71.5165.7-177.500000114.8C503 A504 Q545C503-G513 CarbonylContact C-O 3.57Å; C503-G513 VanDerWaalsContact CA-O 3.24Å; C503-G513 WeakPolarHBondContact CA-O 3.27Å; C503-G513 WeakPolarHBondContact CB-O 3.43Å; A504-G513 PolarHBondContact N-O 3.21Å; G513-Q545 VanDerWaalsContact CA-OE1 3.28Å
514N90.7Very high89.8Confident86 Ų8645.3 Ų45.346%0.4624%0.243SC..EExtended strand (participates in β ladder)trans-70130.2-179.6-174-42.1000111.5S502 G516S502-N514 WeakPolarHBondContact O-CA 3.27Å; S502-N514 PolarHBondContact O-OD1 3.22Å; N514-G516 VanDerWaalsContact OD1-C 3.32Å; N514-G516 WeakPolarHBondContact OD1-CA 3.29Å; N514-G516 PolarHBondContact OD1-N 3.39Å; N514-G516 PolarHBondContact OD1-O 3.36Å
515C92.4Very high89.8Confident1 Ų145.4 Ų45.41%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-101.4-14.8-179.8-63.80000113.2S502 A504 L537 Y542 I552S502-C515 PolarHBondContact O-N 3.49Å; S502-C515 WeakPolarHBondContact OG-CB 3.3Å; A504-C515 PolarHBondContact N-SG 3.34Å; C515-L537 HydrophobicContact CB-CD2 4.33Å; C515-L537 WeakPolarHBondContact O-CD2 3.25Å; C515-Y542 VanDerWaalsContact SG-CB 3.59Å; C515-I552 HydrophobicContact CB-CG2 4.47Å
516G92.1Very high90Very high8 Ų848.6 Ų48.68%0.08226%0.264CS..EExtended strand (participates in β ladder)trans164.8142.4-173.900000111.3G501 S502 N514G501-G516 CarbonylContact C-O 3.54Å; S502-G516 PolarHBondContact N-O 3.5Å; S502-G516 WeakPolarHBondContact OG-CA 3.22Å; S502-G516 PolarHBondContact OG-N 2.95Å; S502-G516 PolarHBondContact OG-O 3.45Å; N514-G516 VanDerWaalsContact OD1-C 3.32Å; N514-G516 WeakPolarHBondContact OD1-CA 3.29Å; N514-G516 PolarHBondContact OD1-N 3.39Å; N514-G516 PolarHBondContact OD1-O 3.36Å
517F93.5Very high90.2Very high82 Ų8251.7 Ų51.736%0.3628%0.284SS..EExtended strand (participates in β ladder)trans-149.1143.7-176.5-178.3-95.5000111.9V499 F500 D519V499-F517 HydrophobicContact CG1-CD2 4.43Å; V499-F517 HydrophobicContact CG1-CE2 3.35Å; V499-F517 HydrophobicContact CG1-CZ 3.52Å; F500-F517 CarbonylContact O-C 3.56Å; F500-F517 WeakPolarHBondContact O-CA 3.5Å; F517-D519 HydrophobicContact CE1-CB 3.82Å; F517-D519 HydrophobicContact CZ-CB 4.11Å
518K94.5Very high90.3Very high81 Ų8154.6 Ų54.635%0.35231%0.314SS..EExtended strand (participates in β ladder)trans-140.4138.2170-76.9-172.9176.7-1740110.5F500 V533 P534 L535F500-K518 PolarHBondContact N-O 3.43Å; F500-K518 PolarHBondContact O-N 3.34Å; K518-V533 HydrophobicContact CD-CG1 4.49Å; K518-P534 VanDerWaalsContact CD-O 3.28Å; K518-P534 WeakPolarHBondContact CD-O 3.5Å; K518-P534 VanDerWaalsContact CE-O 3.25Å; K518-P534 WeakPolarHBondContact CE-O 3.45Å; K518-P534 PolarHBondContact NZ-O 3.04Å; K518-L535 HydrophobicContact CD-CD1 4.38Å; K518-L535 HydrophobicContact CG-CD1 4Å
519D95.1Very high90.9Very high62 Ų6255.1 Ų55.133%0.33232%0.321SS..EExtended strand (participates in β ladder)trans-125.2113.6171.5-172.2-0.9000109R497 F517R497-D519 IonicContact CZ-OD1 3.6Å; R497-D519 IonicContact CZ-OD2 3.36Å; R497-D519 IonicContact NE-OD1 3.69Å; R497-D519 PolarHBondContact NE-OD1 3.46Å; R497-D519 IonicContact NE-OD2 2.75Å; R497-D519 PolarHBondContact NE-OD2 3.07Å; R497-D519 IonicContact NH2-OD1 2.71Å; R497-D519 IonicContact NH2-OD2 3Å; R497-D519 PolarHBondContact NH2-OD2 3.07Å; F517-D519 HydrophobicContact CE1-CB 3.82Å; F517-D519 HydrophobicContact CZ-CB 4.11Å
520L95Very high91.5Very high65 Ų6560.3 Ų60.334%0.3435%0.345SS..EExtended strand (participates in β ladder)trans-108.7101.3178.5-65.8174.1000108.7R497 L498 N522 V523 V533R497-L520 CarbonylContact C-O 3.45Å; R497-L520 VanDerWaalsContact CA-O 3.3Å; R497-L520 WeakPolarHBondContact CA-O 3.36Å; L498-L520 HydrophobicContact CB-CB 4.43Å; L498-L520 HydrophobicContact CD2-CD1 4.47Å; L498-L520 PolarHBondContact N-O 2.71Å; L498-L520 PolarHBondContact O-N 3.24Å; L520-N522 VanDerWaalsContact C-N 3.28Å; L520-N522 PolarHBondContact O-N 2.96Å; L520-V523 HydrophobicContact CB-CG2 3.74Å; L520-V523 HydrophobicContact CD1-CG2 4.23Å; L520-V533 HydrophobicContact CD1-CB 4.22Å; L520-V533 HydrophobicContact CD1-CG1 3.51Å; L520-V533 HydrophobicContact CD1-CG2 3.64Å
521L93.5Very high92Very high91 Ų9162.8 Ų62.848%0.47635%0.352SS..EExtended strand (participates in β ladder)trans-69.6-23.3-177.1-59.9177.5000113.8R497 Y561R497-L521 HydrophobicContact CG-CD2 4.26Å; L521-Y561 WeakPolarHBondContact O-CE2 3.2Å; L521-Y561 PolarHBondContact O-OH 2.93Å
522N91.6Very high92.6Very high136 Ų13667.7 Ų67.773%0.72737%0.368SS*.EExtended strand (participates in β ladder)trans-133.872.1-171-63.8-64.8000111.4L520L520-N522 VanDerWaalsContact C-N 3.28Å; L520-N522 PolarHBondContact O-N 2.96Å
523V93Very high93.1Very high8 Ų866.2 Ų66.25%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-89109.4170.2-177.30000108.6C496 L498 L520 L525 R531C496-V523 HydrophobicContact CB-CB 4.43Å; C496-V523 PolarHBondContact N-O 2.81Å; C496-V523 PolarHBondContact O-N 2.96Å; L498-V523 HydrophobicContact CB-CG2 3.84Å; L520-V523 HydrophobicContact CB-CG2 3.74Å; L520-V523 HydrophobicContact CD1-CG2 4.23Å; V523-L525 HydrophobicContact CG1-CD1 3.99Å; V523-L525 HydrophobicContact CG1-CG 4.05Å; V523-R531 HydrophobicContact CG1-CG 4.26Å
524Q92.3Very high93.5Very high116 Ų11667.6 Ų67.654%0.54236%0.356SS..EExtended strand (participates in β ladder)trans-93.5129.3173.3-69.8177.41.500109.8K494 K495K494-Q524 WeakPolarHBondContact O-CA 3.45Å; K495-Q524 HydrophobicContact CG-CG 4.33Å
525L92.6Very high93.8Very high2 Ų263.8 Ų63.81%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-131.5102.3-176.7-78.4159000109.7L464 V486 N488 E493 K494 V523 R531L464-L525 HydrophobicContact CD2-CD1 4.01Å; V486-L525 HydrophobicContact CB-CD1 4.04Å; V486-L525 HydrophobicContact CG1-CD1 3.35Å; N488-L525 HydrophobicContact CB-CB 3.97Å; N488-L525 PolarHBondContact ND2-O 3.15Å; E493-L525 WeakPolarHBondContact CA-O 3.36Å; K494-L525 HydrophobicContact CB-CB 4.36Å; K494-L525 PolarHBondContact N-O 3.35Å; K494-L525 PolarHBondContact O-N 3.49Å; V523-L525 HydrophobicContact CG1-CD1 3.99Å; V523-L525 HydrophobicContact CG1-CG 4.05Å; L525-R531 HydrophobicContact CD2-CB 3.59Å
526P93.3Very high93.9Very high67 Ų6768.8 Ų68.844%0.43535%0.354SS..  trans-58.8162170-23.533.5000112.3N488 G528 A529N488-P526 PolarHBondContact ND2-O 2.85Å; N488-P526 VanDerWaalsContact ND2-O 3.15Å; P526-G528 PolarHBondContact O-N 3.16Å; P526-A529 HydrophobicContact CB-CB 4.08Å; P526-A529 HydrophobicContact CG-CB 4.25Å; P526-A529 VanDerWaalsContact O-CB 3.25Å; P526-A529 WeakPolarHBondContact O-CB 3.39Å; P526-A529 PolarHBondContact O-N 3.39Å; P526-A529 VanDerWaalsContact O-N 3.09Å
527P92.1Very high94.1Very high69 Ų6968.4 Ų68.445%0.44835%0.35SS..THydrogen-bonded Turntrans-53.7132.2172.3-24.334.5000111.6T490 E491 A529T490-P527 WeakPolarHBondContact O-CA 3.16Å; T490-P527 WeakPolarHBondContact O-CB 3.14Å; E491-P527 WeakPolarHBondContact O-CG 3.43Å; P527-A529 PolarHBondContact O-N 3.47Å
528G90.2Very high94.2Very high61 Ų6166.5 Ų66.563%0.62934%0.344SS*.THydrogen-bonded Turntrans72.4-2.6-178.600000115.6N488 P526N488-G528 CarbonylContact O-C 3.59Å; N488-G528 WeakPolarHBondContact O-CA 3.44Å; N488-G528 PolarHBondContact O-N 2.99Å; P526-G528 PolarHBondContact O-N 3.16Å
529A93.2Very high94.2Very high29 Ų2963.7 Ų63.724%0.2433%0.331CS..  trans-79.4148.1-17500000112.9N488 P526 P527N488-A529 PolarHBondContact N-O 3.2Å; P526-A529 HydrophobicContact CB-CB 4.08Å; P526-A529 HydrophobicContact CG-CB 4.25Å; P526-A529 VanDerWaalsContact O-CB 3.25Å; P526-A529 WeakPolarHBondContact O-CB 3.39Å; P526-A529 PolarHBondContact O-N 3.39Å; P526-A529 VanDerWaalsContact O-N 3.09Å; P527-A529 PolarHBondContact O-N 3.47Å
530E94.8Very high94.2Very high111 Ų11165.8 Ų65.852%0.51935%0.351SS..EExtended strand (participates in β ladder)trans-112134.2169.1-176.5179112.300109.9V485 V486 T487V485-E530 HydrophobicContact CG1-CG 3.46Å; V485-E530 VanDerWaalsContact CG1-CG 3.46Å; V485-E530 WeakPolarHBondContact CG1-OE1 3.38Å; V485-E530 WeakPolarHBondContact CG1-OE2 3.42Å; V486-E530 CarbonylContact O-C 3.59Å; V486-E530 WeakPolarHBondContact O-CA 3.47Å; T487-E530 HydrophobicContact CG2-CB 4.5Å
531R95Very high94.1Very high148 Ų14868.6 Ų68.656%0.55836%0.36SS*.EExtended strand (participates in β ladder)trans-117.8124.7171.8-174.572.2175.5-167.3-1.2109.9V485 V486 V523 L525 V533V485-R531 WeakPolarHBondContact CA-O 3.49Å; V486-R531 PolarHBondContact N-O 2.93Å; V486-R531 PolarHBondContact O-N 3.35Å; V523-R531 HydrophobicContact CG1-CG 4.26Å; L525-R531 HydrophobicContact CD2-CB 3.59Å; R531-V533 HydrophobicContact CG-CG2 4.18Å
532R95.8Very high94.1Very high137 Ų13764.3 Ų64.352%0.51734%0.338SS..EExtended strand (participates in β ladder)trans-105122.8175.3-175173.3175.6-173.2-2.1110.7F483 V485F483-R532 HydrophobicContact CB-CG 3.99Å; F483-R532 HydrophobicContact CD1-CG 3.8Å; F483-R532 HydrophobicContact CG-CG 4.19Å; F483-R532 VanDerWaalsContact CG-NE 3.26Å; V485-R532 HydrophobicContact CG2-CG 4.17Å
533V96.5Very high94.2Very high6 Ų659 Ų594%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-115.8113.5-178.51770000109.7F483 A484 L498 K518 L520 R531F483-V533 WeakPolarHBondContact CA-O 3.4Å; A484-V533 PolarHBondContact N-O 3.18Å; A484-V533 PolarHBondContact O-N 2.9Å; L498-V533 HydrophobicContact CD2-CB 3.96Å; L498-V533 HydrophobicContact CD2-CG1 4.31Å; L498-V533 HydrophobicContact CD2-CG2 3.72Å; K518-V533 HydrophobicContact CD-CG1 4.49Å; L520-V533 HydrophobicContact CD1-CB 4.22Å; L520-V533 HydrophobicContact CD1-CG1 3.51Å; L520-V533 HydrophobicContact CD1-CG2 3.64Å; R531-V533 HydrophobicContact CG-CG2 4.18Å
534P96.3Very high94.1Very high54 Ų5463.4 Ų63.435%0.35135%0.346SS..EExtended strand (participates in β ladder)trans-78.2149.5178.530.5-33.6000112.1V482 F483 K518V482-P534 CarbonylContact O-C 3.43Å; V482-P534 WeakPolarHBondContact O-CA 3.46Å; F483-P534 HydrophobicContact CD1-CB 3.8Å; F483-P534 HydrophobicContact CE1-CB 3.71Å; K518-P534 VanDerWaalsContact CD-O 3.28Å; K518-P534 WeakPolarHBondContact CD-O 3.5Å; K518-P534 VanDerWaalsContact CE-O 3.25Å; K518-P534 WeakPolarHBondContact CE-O 3.45Å; K518-P534 PolarHBondContact NZ-O 3.04Å
535L96.3Very high94Very high5 Ų561.5 Ų61.53%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-131.2114.9166.7175.767.2000108.1V482 F500 K518 L537V482-L535 HydrophobicContact CG2-CB 3.93Å; V482-L535 HydrophobicContact CG2-CD2 4.24Å; V482-L535 HydrophobicContact CG2-CG 4.33Å; V482-L535 WeakPolarHBondContact CG2-O 3.36Å; V482-L535 PolarHBondContact N-O 3.42Å; V482-L535 PolarHBondContact O-N 2.76Å; F500-L535 HydrophobicContact CD1-CB 3.62Å; F500-L535 HydrophobicContact CD1-CD2 4.2Å; F500-L535 HydrophobicContact CD2-CD2 4.49Å; F500-L535 HydrophobicContact CE1-CB 3.45Å; F500-L535 VanDerWaalsContact CE1-CB 3.45Å; F500-L535 HydrophobicContact CE1-CD2 4.21Å; F500-L535 HydrophobicContact CE1-CG 4.47Å; F500-L535 HydrophobicContact CG-CD2 4.34Å; F500-L535 HydrophobicContact CZ-CB 4.25Å; F500-L535 HydrophobicContact CZ-CD2 4.38Å; K518-L535 HydrophobicContact CD-CD1 4.38Å; K518-L535 HydrophobicContact CG-CD1 4Å; L535-L537 HydrophobicContact CD2-CD2 4.16Å; L535-L537 HydrophobicContact CG-CD2 4.1Å
536R95.4Very high94Very high107 Ų10762.2 Ų62.240%0.40434%0.341SS..EExtended strand (participates in β ladder)trans-83.5121.5178.1-175.773.4173.8-179.51.7109.7D481D481-R536 VanDerWaalsContact CG-CD 3.49Å; D481-R536 WeakPolarHBondContact OD1-CA 3.29Å; D481-R536 VanDerWaalsContact OD1-CB 3.26Å; D481-R536 WeakPolarHBondContact OD1-CB 3.39Å; D481-R536 WeakPolarHBondContact OD1-CD 3.44Å; D481-R536 WeakPolarHBondContact OD2-CD 3.44Å; D481-R536 IonicContact OD2-CZ 3.84Å; D481-R536 IonicContact OD2-NH1 2.82Å; D481-R536 PolarHBondContact OD2-NH1 3.41Å
537L96Very high93.7Very high0 Ų060 Ų600%033%0.326CS..EExtended strand (participates in β ladder)trans-99.5119.6171.9-58.5-171.5000108.7D479 F480 S502 C515 L535 Y542 I552 L554 I573D479-L537 WeakPolarHBondContact CA-O 3.48Å; F480-L537 HydrophobicContact CD2-CB 4.47Å; F480-L537 HydrophobicContact CE1-CB 4.49Å; F480-L537 HydrophobicContact CE2-CB 4.06Å; F480-L537 HydrophobicContact CE2-CD1 3.65Å; F480-L537 HydrophobicContact CE2-CG 4.22Å; F480-L537 HydrophobicContact CZ-CB 4.04Å; F480-L537 HydrophobicContact CZ-CD1 3.87Å; F480-L537 PolarHBondContact N-O 2.92Å; F480-L537 VanDerWaalsContact N-O 3.08Å; F480-L537 PolarHBondContact O-N 3.03Å; S502-L537 VanDerWaalsContact OG-CD2 3.23Å; S502-L537 WeakPolarHBondContact OG-CD2 3.44Å; C515-L537 HydrophobicContact CB-CD2 4.33Å; C515-L537 WeakPolarHBondContact O-CD2 3.25Å; L535-L537 HydrophobicContact CD2-CD2 4.16Å; L535-L537 HydrophobicContact CG-CD2 4.1Å; L537-Y542 HydrophobicContact CB-CD1 4.13Å; L537-I552 HydrophobicContact CD1-CD1 4.16Å; L537-I552 HydrophobicContact CD1-CG2 4.16Å; L537-L554 HydrophobicContact CD1-CD2 4.23Å; L537-I573 HydrophobicContact CD1-CD1 4.26Å
538N95.3Very high93.4Very high42 Ų4260 Ų6023%0.22532%0.32CS..  trans-104.9135.9-178.5-56-85.8000109.7D479 S540 K541 Y542D479-N538 WeakPolarHBondContact OD1-CA 3.4Å; D479-N538 PolarHBondContact OD2-OD1 2.92Å; N538-S540 PolarHBondContact O-N 2.91Å; N538-K541 PolarHBondContact O-N 3.28Å; N538-Y542 VanDerWaalsContact C-CE1 3.46Å; N538-Y542 WeakPolarHBondContact O-CD1 3.38Å; N538-Y542 PolarHBondContact O-N 3.42Å
539Y94.9Very high93.2Very high21 Ų2157.8 Ų57.88%0.08229%0.294CS..Hα-helixtrans-57.3-36.5-179.9175.9-101.5000111.9G477 D479 K541 Y542 G543 L604 P605G477-Y539 VanDerWaalsContact CA-CD2 3.41Å; D479-Y539 PolarHBondContact OD1-N 3.03Å; Y539-K541 PolarHBondContact O-N 3.08Å; Y539-Y542 HydrophobicContact CD2-CD2 4.4Å; Y539-Y542 AromaticContact CD2-CE2 3.63Å; Y539-Y542 HydrophobicContact CD2-CE2 3.63Å; Y539-Y542 AromaticContact CD2-CZ 3.75Å; Y539-Y542 HydrophobicContact CE2-CE2 4.4Å; Y539-Y542 VanDerWaalsContact N-CE1 3.3Å; Y539-Y542 PolarHBondContact O-N 3.36Å; Y539-G543 VanDerWaalsContact O-CA 3.3Å; Y539-G543 WeakPolarHBondContact O-CA 3.42Å; Y539-G543 PolarHBondContact O-N 3.12Å; Y539-L604 HydrophobicContact CE2-CD2 4.01Å; Y539-P605 HydrophobicContact CD1-CG 3.36Å; Y539-P605 HydrophobicContact CE1-CG 3.56Å; Y539-P605 HydrophobicContact CG-CG 4.31Å
540S94.3Very high93.2Very high107 Ų10756.7 Ų56.775%0.74828%0.284SS*.Hα-helixtrans-59.1-19.1174.8590000114.5N538N538-S540 PolarHBondContact O-N 2.91Å
541K93.4Very high93.2Very high123 Ų12351.5 Ų51.554%0.53526%0.26SS..Hα-helixtrans-100.1-48.4175.4-65.8-170.2176.8-172.60112.5N538 Y539 Q545N538-K541 PolarHBondContact O-N 3.28Å; Y539-K541 PolarHBondContact O-N 3.08Å; K541-Q545 WeakPolarHBondContact O-CG 3.34Å
542Y94.6Very high93.1Very high2 Ų244.5 Ų44.51%0.00823%0.234CC..Hα-helixtrans-85.5-22.9-173.875-110.8000112.9G477 C478 F480 C515 L537 N538 Y539 S544 Q545 V546 I552 L575G477-Y542 PolarHBondContact N-OH 2.82Å; C478-Y542 PolarHBondContact N-OH 2.91Å; C478-Y542 WeakPolarHBondContact O-CE1 3.43Å; C478-Y542 PolarHBondContact O-OH 3.44Å; F480-Y542 AromaticContact CE1-CE1 3.82Å; F480-Y542 HydrophobicContact CE1-CE1 3.82Å; F480-Y542 HydrophobicContact CZ-CE1 4.49Å; C515-Y542 VanDerWaalsContact SG-CB 3.59Å; L537-Y542 HydrophobicContact CB-CD1 4.13Å; N538-Y542 VanDerWaalsContact C-CE1 3.46Å; N538-Y542 WeakPolarHBondContact O-CD1 3.38Å; N538-Y542 PolarHBondContact O-N 3.42Å; Y539-Y542 HydrophobicContact CD2-CD2 4.4Å; Y539-Y542 AromaticContact CD2-CE2 3.63Å; Y539-Y542 HydrophobicContact CD2-CE2 3.63Å; Y539-Y542 AromaticContact CD2-CZ 3.75Å; Y539-Y542 HydrophobicContact CE2-CE2 4.4Å; Y539-Y542 VanDerWaalsContact N-CE1 3.3Å; Y539-Y542 PolarHBondContact O-N 3.36Å; Y542-S544 VanDerWaalsContact C-N 3.31Å; Y542-S544 PolarHBondContact O-N 3.13Å; Y542-Q545 PolarHBondContact O-N 3.31Å; Y542-V546 HydrophobicContact CD2-CG2 3.78Å; Y542-V546 HydrophobicContact CG-CG2 4.4Å; Y542-V546 WeakPolarHBondContact O-CG2 3.48Å; Y542-V546 PolarHBondContact O-N 2.99Å; Y542-I552 HydrophobicContact CD2-CD1 4.28Å; Y542-I552 HydrophobicContact CG-CD1 4.11Å; Y542-L575 HydrophobicContact CD2-CD1 4.11Å; Y542-L575 HydrophobicContact CE2-CD1 3.66Å
543G92.4Very high93Very high23 Ų2339.2 Ų39.224%0.23721%0.214CC..THydrogen-bonded Turntrans-59.4-36.9-169.400000114.1Y539Y539-G543 VanDerWaalsContact O-CA 3.3Å; Y539-G543 WeakPolarHBondContact O-CA 3.42Å; Y539-G543 PolarHBondContact O-N 3.12Å
544S90.6Very high92.8Very high101 Ų10139 Ų3971%0.70621%0.212SC*.THydrogen-bonded Turntrans-87.2-6.5175.973.90000114.1Y542Y542-S544 VanDerWaalsContact C-N 3.31Å; Y542-S544 PolarHBondContact O-N 3.13Å
545Q91.6Very high92.6Very high76 Ų7637.1 Ų37.136%0.35520%0.202SC..THydrogen-bonded Turntrans-101.2-35.8-175.9-54.7-57.9-37.700111.4A504 G513 K541 Y542 T547A504-Q545 VanDerWaalsContact CB-C 3.43Å; A504-Q545 HydrophobicContact CB-CB 3.96Å; A504-Q545 WeakPolarHBondContact CB-O 3.31Å; G513-Q545 VanDerWaalsContact CA-OE1 3.28Å; K541-Q545 WeakPolarHBondContact O-CG 3.34Å; Y542-Q545 PolarHBondContact O-N 3.31Å; Q545-T547 PolarHBondContact O-N 3.28Å
546V91.3Very high92.5Very high18 Ų1836.9 Ų36.911%0.10920%0.201CC..  trans-70.2128.4-176.4174.70000110.1A504 Y542 I552 L575A504-V546 HydrophobicContact CB-CG2 4.29Å; Y542-V546 HydrophobicContact CD2-CG2 3.78Å; Y542-V546 HydrophobicContact CG-CG2 4.4Å; Y542-V546 WeakPolarHBondContact O-CG2 3.48Å; Y542-V546 PolarHBondContact O-N 2.99Å; V546-I552 HydrophobicContact CG2-CD1 3.79Å; V546-I552 HydrophobicContact CG2-CG1 3.61Å; V546-L575 HydrophobicContact CG1-CD1 4.41Å; V546-L575 HydrophobicContact CG2-CD1 4.43Å
547T87.8Confident92.4Very high20 Ų2032.1 Ų32.112%0.12318%0.183CC..  trans-72.3176.2177.168.40000111.1D235 Q545 D549 N550D235-T547 WeakPolarHBondContact OD2-CG2 3.44Å; Q545-T547 PolarHBondContact O-N 3.28Å; T547-D549 PolarHBondContact O-N 3.36Å; T547-D549 VanDerWaalsContact O-N 3.13Å; T547-D549 PolarHBondContact OG1-N 3.35Å; T547-N550 PolarHBondContact O-N 3.34Å
548E85.9Confident92.3Very high69 Ų6932.2 Ų32.232%0.32218%0.183SC..THydrogen-bonded Turntrans-62.7-15.3174.7-62.4-179.7165.300113.3S242 L244 N550 H667S242-E548 WeakPolarHBondContact CB-OE2 3.4Å; S242-E548 PolarHBondContact OG-OE2 3.07Å; L244-E548 HydrophobicContact CD1-CB 3.24Å; L244-E548 HydrophobicContact CD1-CG 4.45Å; E548-N550 PolarHBondContact O-N 3.1Å; E548-H667 IonicContact OE1-CD2 3.69Å; E548-H667 IonicContact OE1-NE2 3.46Å; E548-H667 IonicContact OE2-CD2 3.8Å; E548-H667 PolarHBondContact OE2-CD2 2.93Å; E548-H667 VanDerWaalsContact OE2-CD2 3.27Å; E548-H667 IonicContact OE2-NE2 3.74Å; E548-H667 PolarHBondContact OE2-NE2 3.5Å
549D86.9Confident92.1Very high14 Ų1433.2 Ų33.28%0.07519%0.186CC..THydrogen-bonded Turntrans-72.1-12.2172.7-71.8-54.8000113.7R161 Y507 T547 L551R161-D549 IonicContact NH2-OD1 2.8Å; R161-D549 PolarHBondContact NH2-OD1 3.47Å; Y507-D549 PolarHBondContact N-OD2 3.03Å; T547-D549 PolarHBondContact O-N 3.36Å; T547-D549 VanDerWaalsContact O-N 3.13Å; T547-D549 PolarHBondContact OG1-N 3.35Å; D549-L551 VanDerWaalsContact C-N 3.25Å; D549-L551 HydrophobicContact CB-CD1 3.96Å; D549-L551 HydrophobicContact CB-CG 4.2Å; D549-L551 PolarHBondContact O-N 2.87Å
550N92.7Very high91.9Very high7 Ų732.6 Ų32.64%0.03719%0.185CC..  trans56.534.8-178.8-69.9-12.7000113.9K476 T547 E548 V574 L575 N577K476-N550 WeakPolarHBondContact CD-OD1 3.26Å; K476-N550 WeakPolarHBondContact CE-OD1 3.36Å; K476-N550 PolarHBondContact NZ-OD1 3.12Å; T547-N550 PolarHBondContact O-N 3.34Å; E548-N550 PolarHBondContact O-N 3.1Å; N550-V574 CarbonylContact O-C 3.56Å; N550-V574 WeakPolarHBondContact O-CA 3.21Å; N550-L575 HydrophobicContact CB-CB 4.11Å; N550-L575 WeakPolarHBondContact CB-O 3.44Å; N550-L575 PolarHBondContact ND2-O 3.15Å; N550-L575 PolarHBondContact O-N 3.45Å; N550-N577 PolarHBondContact ND2-ND2 2.82Å; N550-N577 PolarHBondContact ND2-OD1 2.84Å
551L93.8Very high91.8Very high2 Ų232.8 Ų32.81%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-106.9138.6-177.2-72.2167.1000112.2N324 V505 D549 I573 V574N324-L551 HydrophobicContact CB-CD1 4.28Å; N324-L551 WeakPolarHBondContact ND2-CD1 3.25Å; V505-L551 HydrophobicContact CG1-CB 3.63Å; V505-L551 PolarHBondContact N-O 3.16Å; V505-L551 VanDerWaalsContact N-O 3.16Å; V505-L551 VanDerWaalsContact O-CB 3.26Å; V505-L551 WeakPolarHBondContact O-CB 3.48Å; D549-L551 VanDerWaalsContact C-N 3.25Å; D549-L551 HydrophobicContact CB-CD1 3.96Å; D549-L551 HydrophobicContact CB-CG 4.2Å; D549-L551 PolarHBondContact O-N 2.87Å; L551-I573 WeakPolarHBondContact CA-O 3.44Å; L551-V574 HydrophobicContact CD2-CB 4.35Å; L551-V574 HydrophobicContact CD2-CG2 3.6Å
552I94.4Very high91.4Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-126.5130.8169.1-64.7174.9000108.2F480 C503 C515 L537 Y542 V546 L554 N572 I573 L575F480-I552 HydrophobicContact CZ-CD1 4.39Å; C503-I552 CarbonylContact O-C 3.52Å; C503-I552 WeakPolarHBondContact O-CA 3.49Å; C503-I552 WeakPolarHBondContact O-CG2 3.47Å; C515-I552 HydrophobicContact CB-CG2 4.47Å; L537-I552 HydrophobicContact CD1-CD1 4.16Å; L537-I552 HydrophobicContact CD1-CG2 4.16Å; Y542-I552 HydrophobicContact CD2-CD1 4.28Å; Y542-I552 HydrophobicContact CG-CD1 4.11Å; V546-I552 HydrophobicContact CG2-CD1 3.79Å; V546-I552 HydrophobicContact CG2-CG1 3.61Å; I552-L554 HydrophobicContact CG2-CD2 4.11Å; I552-N572 CarbonylContact O-C 3.57Å; I552-N572 WeakPolarHBondContact O-CA 3.3Å; I552-I573 HydrophobicContact CB-CD1 4.03Å; I552-I573 HydrophobicContact CB-CG1 3.71Å; I552-I573 HydrophobicContact CG2-CD1 4.31Å; I552-I573 HydrophobicContact CG2-CG1 4.28Å; I552-I573 PolarHBondContact N-O 3.21Å; I552-I573 WeakPolarHBondContact O-CG1 3.39Å; I552-I573 PolarHBondContact O-N 3.14Å; I552-L575 HydrophobicContact CD1-CD1 4.11Å; I552-L575 HydrophobicContact CD1-CD2 4.45Å
553R92.4Very high91Very high27 Ų2733.9 Ų33.910%0.10219%0.19CC..EExtended strand (participates in β ladder)trans-90131.2171.3-178.1164.9-67.6171.44109.9S502 C503 V505 N572S502-R553 CarbonylContact C-O 3.6Å; S502-R553 WeakPolarHBondContact CA-O 3.45Å; C503-R553 PolarHBondContact N-O 3.13Å; C503-R553 PolarHBondContact O-N 3.05Å; V505-R553 HydrophobicContact CB-CB 4.22Å; V505-R553 HydrophobicContact CG1-CB 4.08Å; R553-N572 WeakPolarHBondContact CB-OD1 3.23Å; R553-N572 WeakPolarHBondContact CG-OD1 3.38Å; R553-N572 PolarHBondContact NE-OD1 3.05Å
554L92.8Very high90.6Very high0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-107.2134.4172.2-53.7176.6000108.8I468 V470 V482 F500 L537 I552 M570 R571 I573I468-L554 HydrophobicContact CD1-CB 3.86Å; I468-L554 HydrophobicContact CG2-CB 4.19Å; I468-L554 HydrophobicContact CG2-CD1 3.63Å; V470-L554 HydrophobicContact CG1-CD1 4.07Å; V482-L554 HydrophobicContact CB-CD1 3.89Å; V482-L554 HydrophobicContact CG1-CD1 3.86Å; V482-L554 HydrophobicContact CG2-CD1 3.99Å; V482-L554 HydrophobicContact CG2-CD2 3.91Å; F500-L554 HydrophobicContact CE2-CB 4.31Å; L537-L554 HydrophobicContact CD1-CD2 4.23Å; I552-L554 HydrophobicContact CG2-CD2 4.11Å; L554-M570 CarbonylContact O-C 3.57Å; L554-M570 VanDerWaalsContact O-CA 3.3Å; L554-M570 WeakPolarHBondContact O-CA 3.43Å; L554-R571 WeakPolarHBondContact CB-O 3.42Å; L554-R571 PolarHBondContact N-O 3.01Å; L554-R571 PolarHBondContact O-N 3.43Å; L554-I573 HydrophobicContact CD1-CD1 4.44Å; L554-I573 HydrophobicContact CD1-CG2 3.69Å; L554-I573 HydrophobicContact CG-CG2 4.35Å
555A92.2Very high90.4Very high16 Ų1634.8 Ų34.813%0.13219%0.191CC..EExtended strand (participates in β ladder)trans-134.7122.4178.400000110.4F500 G501 L568 A569 M570F500-A555 WeakPolarHBondContact CA-O 3.35Å; F500-A555 WeakPolarHBondContact CD2-O 3.4Å; G501-A555 PolarHBondContact N-O 2.87Å; G501-A555 PolarHBondContact O-N 3.22Å; A555-L568 HydrophobicContact CB-CD1 4.31Å; A555-A569 WeakPolarHBondContact CA-O 3.46Å; A555-M570 HydrophobicContact CB-CG 4.22Å
556A93.8Very high90.3Very high0 Ų031.5 Ų31.50%018%0.177CC..EExtended strand (participates in β ladder)trans-117.4105.5177.100000109.5V466 I468 A484 L498 V499 F500 L568 A569V466-A556 HydrophobicContact CG2-CB 3.84Å; I468-A556 HydrophobicContact CD1-CB 4.1Å; I468-A556 HydrophobicContact CG1-CB 4.03Å; A484-A556 HydrophobicContact CB-CB 3.96Å; L498-A556 HydrophobicContact CD1-CB 4.44Å; V499-A556 CarbonylContact O-C 3.55Å; V499-A556 WeakPolarHBondContact O-CA 3.15Å; F500-A556 HydrophobicContact CD2-CB 3.86Å; F500-A556 HydrophobicContact CE2-CB 4.3Å; A556-L568 WeakPolarHBondContact O-CA 3.2Å; A556-A569 HydrophobicContact CB-CB 4.47Å; A556-A569 PolarHBondContact N-O 3.34Å; A556-A569 PolarHBondContact O-N 3.34Å
557L93.6Very high90.2Very high6 Ų631.7 Ų31.73%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-99.3115.2178.1179.368.2000109.5M396 V406 L498 V499 A566 K567 L568M396-L557 HydrophobicContact CE-CD1 3.64Å; M396-L557 HydrophobicContact CE-CD2 3.54Å; M396-L557 HydrophobicContact CE-CG 4.14Å; V406-L557 HydrophobicContact CG1-CD1 4.32Å; L498-L557 WeakPolarHBondContact CA-O 3Å; V499-L557 HydrophobicContact CB-CB 4.32Å; V499-L557 PolarHBondContact N-O 3.46Å; V499-L557 PolarHBondContact O-N 2.93Å; L557-A566 HydrophobicContact CD1-CB 4.2Å; L557-K567 CarbonylContact C-O 3.51Å; L557-K567 WeakPolarHBondContact CA-O 3.5Å; L557-L568 HydrophobicContact CB-CD1 4.14Å; L557-L568 HydrophobicContact CD1-CB 4.26Å; L557-L568 HydrophobicContact CD1-CD1 4.42Å
558L93.6Very high90.3Very high2 Ų230.9 Ų30.91%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-104.3122176.1-176.174.8000109.6L464 V466 V486 C496 R497 L498 A566 K567L464-L558 HydrophobicContact CB-CD2 4.24Å; L464-L558 HydrophobicContact CD2-CD2 4.36Å; V466-L558 HydrophobicContact CB-CB 4.26Å; V466-L558 HydrophobicContact CB-CD2 4.43Å; V466-L558 HydrophobicContact CG1-CB 4.27Å; V486-L558 HydrophobicContact CG1-CD1 3.83Å; V486-L558 HydrophobicContact CG1-CD2 3.53Å; V486-L558 HydrophobicContact CG1-CG 4.32Å; V486-L558 HydrophobicContact CG2-CD1 4.08Å; C496-L558 HydrophobicContact CB-CD1 3.58Å; C496-L558 HydrophobicContact CB-CG 4.29Å; R497-L558 WeakPolarHBondContact O-CA 3.47Å; L498-L558 HydrophobicContact CB-CD1 4.33Å; L498-L558 HydrophobicContact CD1-CB 4.37Å; L498-L558 HydrophobicContact CD1-CD1 4.18Å; L558-A566 CarbonylContact O-C 3.59Å; L558-A566 WeakPolarHBondContact O-CA 3.48Å; L558-K567 PolarHBondContact N-O 3.49Å; L558-K567 PolarHBondContact O-N 2.94Å
559H91.9Very high90.6Very high63 Ų6328.2 Ų28.229%0.29216%0.161SC..EExtended strand (participates in β ladder)trans-111.8118.5175.7-175.5-130.7000109.8C496 R497 Y561 Q565C496-H559 CarbonylContact C-O 3.51Å; C496-H559 WeakPolarHBondContact CA-O 3.25Å; C496-H559 WeakPolarHBondContact CB-O 3.4Å; R497-H559 HydrophobicContact CB-CB 4.33Å; R497-H559 PolarHBondContact N-O 2.8Å; R497-H559 PolarHBondContact O-N 2.8Å; H559-Y561 AromaticContact ND1-CD1 3.76Å; H559-Y561 AromaticContact ND1-CE1 3.72Å; H559-Q565 PolarHBondContact CD2-O 2.6Å
560D90.9Very high90.7Very high9 Ų930.7 Ų30.75%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-85.7111.7175.6177.65.7000109.7L464 K494 S562 T563 G564 Q565L464-D560 HydrophobicContact CD1-CB 3.81Å; K494-D560 IonicContact NZ-OD2 2.81Å; K494-D560 PolarHBondContact NZ-OD2 3.47Å; D560-S562 PolarHBondContact O-N 3.17Å; D560-S562 WeakPolarHBondContact OD1-CB 3.44Å; D560-S562 PolarHBondContact OD1-N 2.73Å; D560-S562 PolarHBondContact OD1-OG 2.9Å; D560-S562 PolarHBondContact OD2-OG 2.73Å; D560-T563 WeakPolarHBondContact CB-OG1 3.41Å; D560-T563 VanDerWaalsContact CG-OG1 3.22Å; D560-T563 PolarHBondContact O-N 3.15Å; D560-T563 WeakPolarHBondContact OD2-CG2 3.31Å; D560-T563 PolarHBondContact OD2-OG1 2.92Å; D560-G564 WeakPolarHBondContact O-CA 3.27Å; D560-G564 PolarHBondContact O-N 2.89Å; D560-Q565 PolarHBondContact N-O 3.42Å
561Y90.9Very high90.6Very high111 Ų11133.8 Ų33.844%0.43518%0.184SC..THydrogen-bonded Turntrans-66.7-23.7-179.7-66.8-50.5000113.5K495 R497 L521 H559K495-Y561 HydrophobicContact CB-CD2 4.35Å; K495-Y561 WeakPolarHBondContact O-CB 3.29Å; K495-Y561 WeakPolarHBondContact O-CD2 3.42Å; K495-Y561 PolarHBondContact O-N 3.48Å; K495-Y561 VanDerWaalsContact O-N 3.12Å; R497-Y561 HydrophobicContact CB-CE1 4.33Å; R497-Y561 HydrophobicContact CB-CE2 4.28Å; R497-Y561 WeakPolarHBondContact CB-OH 3.27Å; L521-Y561 WeakPolarHBondContact O-CE2 3.2Å; L521-Y561 PolarHBondContact O-OH 2.93Å; H559-Y561 AromaticContact ND1-CD1 3.76Å; H559-Y561 AromaticContact ND1-CE1 3.72Å
562S85.9Confident90.5Very high79 Ų7934.6 Ų34.655%0.55219%0.188SC*.THydrogen-bonded Turntrans-75.6-31.5-178.466.30000112.9K494 D560K494-S562 PolarHBondContact NZ-OG 3.47Å; D560-S562 PolarHBondContact O-N 3.17Å; D560-S562 WeakPolarHBondContact OD1-CB 3.44Å; D560-S562 PolarHBondContact OD1-N 2.73Å; D560-S562 PolarHBondContact OD1-OG 2.9Å; D560-S562 PolarHBondContact OD2-OG 2.73Å
563T85.4Confident90.5Very high68 Ų6834.8 Ų34.842%0.41719%0.189SC..THydrogen-bonded Turntrans-112.2-15.2-176.357.90000113D560 Q565D560-T563 WeakPolarHBondContact CB-OG1 3.41Å; D560-T563 VanDerWaalsContact CG-OG1 3.22Å; D560-T563 PolarHBondContact O-N 3.15Å; D560-T563 WeakPolarHBondContact OD2-CG2 3.31Å; D560-T563 PolarHBondContact OD2-OG1 2.92Å; T563-Q565 PolarHBondContact O-N 2.85Å; T563-Q565 WeakPolarHBondContact OG1-CB 3.25Å; T563-Q565 PolarHBondContact OG1-N 3.37Å
564G84.4Confident90.6Very high52 Ų5233.8 Ų33.854%0.53619%0.187SC..  trans69.58.3-170.600000113.6D560D560-G564 WeakPolarHBondContact O-CA 3.27Å; D560-G564 PolarHBondContact O-N 2.89Å
565Q86.4Confident90.7Very high92 Ų9234 Ų3443%0.4319%0.187SC..  trans-81.7145.6-179.8-67.7-176.5-16.800111.3H559 D560 T563H559-Q565 PolarHBondContact CD2-O 2.6Å; D560-Q565 PolarHBondContact N-O 3.42Å; T563-Q565 PolarHBondContact O-N 2.85Å; T563-Q565 WeakPolarHBondContact OG1-CB 3.25Å; T563-Q565 PolarHBondContact OG1-N 3.37Å
566A89.4Confident90.7Very high7 Ų735.3 Ų35.36%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-119.1138.7176.100000111.1M396 V406 T407 L557 L558M396-A566 HydrophobicContact CE-CB 3.85Å; V406-A566 HydrophobicContact CG1-CB 4.34Å; V406-A566 HydrophobicContact CG2-CB 4.32Å; T407-A566 PolarHBondContact N-O 3.07Å; T407-A566 VanDerWaalsContact N-O 3.11Å; L557-A566 HydrophobicContact CD1-CB 4.2Å; L558-A566 CarbonylContact O-C 3.59Å; L558-A566 WeakPolarHBondContact O-CA 3.48Å
567K90Very high90.7Very high22 Ų2237.8 Ų37.810%0.09621%0.206CC..EExtended strand (participates in β ladder)trans-124.5137.8174.8-61.5-162.4171.1-154.40110.4T407 L462 L464 V466 L557 L558T407-K567 WeakPolarHBondContact O-CA 3.44Å; L462-K567 PolarHBondContact O-NZ 2.78Å; L464-K567 WeakPolarHBondContact O-CD 3.49Å; L464-K567 WeakPolarHBondContact O-CE 3.36Å; L464-K567 PolarHBondContact O-NZ 3.02Å; V466-K567 HydrophobicContact CG1-CB 3.9Å; L557-K567 CarbonylContact C-O 3.51Å; L557-K567 WeakPolarHBondContact CA-O 3.5Å; L558-K567 PolarHBondContact N-O 3.49Å; L558-K567 PolarHBondContact O-N 2.94Å
568L90.1Very high90.8Very high3 Ų338.4 Ų38.42%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-124.7125.1-178.7179.462.4000110.4V309 T394 V406 T407 A555 A556 L557 M570V309-L568 HydrophobicContact CG1-CD2 3.92Å; V309-L568 HydrophobicContact CG2-CD2 4.41Å; T394-L568 HydrophobicContact CG2-CD2 4.05Å; V406-L568 HydrophobicContact CG1-CB 3.53Å; T407-L568 PolarHBondContact O-N 2.91Å; A555-L568 HydrophobicContact CB-CD1 4.31Å; A556-L568 WeakPolarHBondContact O-CA 3.2Å; L557-L568 HydrophobicContact CB-CD1 4.14Å; L557-L568 HydrophobicContact CD1-CB 4.26Å; L557-L568 HydrophobicContact CD1-CD1 4.42Å; L568-M570 HydrophobicContact CD1-CG 4.21Å; L568-M570 HydrophobicContact CD2-CE 3.48Å; L568-M570 VanDerWaalsContact CD2-CE 3.48Å; L568-M570 HydrophobicContact CD2-CG 4.19Å; L568-M570 HydrophobicContact CD2-SD 4.02Å; L568-M570 HydrophobicContact CG-CE 4.09Å; L568-M570 HydrophobicContact CG-CG 4.01Å; L568-M570 HydrophobicContact CG-SD 4.49Å
569A90.9Very high90.9Very high13 Ų1345.1 Ų45.111%0.10724%0.241CC..EExtended strand (participates in β ladder)trans-104.4131.6163.800000109.1V466 I468 A555 A556V466-A569 HydrophobicContact CG1-CB 4.08Å; V466-A569 HydrophobicContact CG2-CB 4.24Å; I468-A569 HydrophobicContact CD1-CB 4.2Å; I468-A569 WeakPolarHBondContact CD1-O 3.45Å; I468-A569 HydrophobicContact CG1-CB 4.04Å; A555-A569 WeakPolarHBondContact CA-O 3.46Å; A556-A569 HydrophobicContact CB-CB 4.47Å; A556-A569 PolarHBondContact N-O 3.34Å; A556-A569 PolarHBondContact O-N 3.34Å
570M89.4Confident91.1Very high66 Ų6642.7 Ų42.733%0.32523%0.23SC..EExtended strand (participates in β ladder)trans-123142.3173.4-75-176.6-81.900110.2T408 L554 A555 L568T408-M570 HydrophobicContact CG2-CE 4.14Å; L554-M570 CarbonylContact O-C 3.57Å; L554-M570 VanDerWaalsContact O-CA 3.3Å; L554-M570 WeakPolarHBondContact O-CA 3.43Å; A555-M570 HydrophobicContact CB-CG 4.22Å; L568-M570 HydrophobicContact CD1-CG 4.21Å; L568-M570 HydrophobicContact CD2-CE 3.48Å; L568-M570 VanDerWaalsContact CD2-CE 3.48Å; L568-M570 HydrophobicContact CD2-CG 4.19Å; L568-M570 HydrophobicContact CD2-SD 4.02Å; L568-M570 HydrophobicContact CG-CE 4.09Å; L568-M570 HydrophobicContact CG-CG 4.01Å; L568-M570 HydrophobicContact CG-SD 4.49Å
571R90.2Very high91.5Very high72 Ų7248.1 Ų48.127%0.27225%0.253SS..EExtended strand (participates in β ladder)trans-149.3125.3176.2-178.5175.1-179.6162.21.6110.1I468 V470 L554 I573I468-R571 HydrophobicContact CB-CB 4.12Å; I468-R571 HydrophobicContact CD1-CB 4.16Å; I468-R571 HydrophobicContact CG2-CB 4.15Å; I468-R571 PolarHBondContact O-NH1 3.5Å; V470-R571 VanDerWaalsContact CG2-NH2 3.29Å; L554-R571 WeakPolarHBondContact CB-O 3.42Å; L554-R571 PolarHBondContact N-O 3.01Å; L554-R571 PolarHBondContact O-N 3.43Å; R571-I573 HydrophobicContact CG-CG2 4.43Å
572N91.6Very high91.8Very high18 Ų1843.7 Ų43.710%0.09624%0.238CC..EExtended strand (participates in β ladder)trans-85.6131.7166.6-57.4-26.8000108.9N324 I552 R553N324-N572 WeakPolarHBondContact OD1-CB 3.42Å; N324-N572 PolarHBondContact OD1-ND2 2.95Å; I552-N572 CarbonylContact O-C 3.57Å; I552-N572 WeakPolarHBondContact O-CA 3.3Å; R553-N572 WeakPolarHBondContact CB-OD1 3.23Å; R553-N572 WeakPolarHBondContact CG-OD1 3.38Å; R553-N572 PolarHBondContact NE-OD1 3.05Å
573I94.4Very high92.4Very high4 Ų447.3 Ų47.32%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-106.7145.8170.761.3169.9000109.3V470 M474 F480 V482 L537 L551 I552 L554 R571 L575V470-I573 HydrophobicContact CG1-CG2 3.74Å; M474-I573 HydrophobicContact CE-CB 4.01Å; M474-I573 HydrophobicContact CE-CG2 4.03Å; M474-I573 HydrophobicContact SD-CB 4.22Å; M474-I573 HydrophobicContact SD-CD1 3.8Å; M474-I573 HydrophobicContact SD-CG2 4.22Å; F480-I573 HydrophobicContact CE2-CD1 3.55Å; F480-I573 HydrophobicContact CZ-CD1 3.87Å; V482-I573 HydrophobicContact CG1-CD1 4.43Å; L537-I573 HydrophobicContact CD1-CD1 4.26Å; L551-I573 WeakPolarHBondContact CA-O 3.44Å; I552-I573 HydrophobicContact CB-CD1 4.03Å; I552-I573 HydrophobicContact CB-CG1 3.71Å; I552-I573 HydrophobicContact CG2-CD1 4.31Å; I552-I573 HydrophobicContact CG2-CG1 4.28Å; I552-I573 PolarHBondContact N-O 3.21Å; I552-I573 WeakPolarHBondContact O-CG1 3.39Å; I552-I573 PolarHBondContact O-N 3.14Å; L554-I573 HydrophobicContact CD1-CD1 4.44Å; L554-I573 HydrophobicContact CD1-CG2 3.69Å; L554-I573 HydrophobicContact CG-CG2 4.35Å; R571-I573 HydrophobicContact CG-CG2 4.43Å; I573-L575 HydrophobicContact CD1-CD2 4.34Å
574V94.4Very high93Very high7 Ų745.9 Ų45.94%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-107.2131.4176.2-1760000107H166 I168 N550 L551H166-V574 HydrophobicContact CB-CB 4.44Å; H166-V574 HydrophobicContact CB-CG2 4.34Å; I168-V574 HydrophobicContact CD1-CG1 4.48Å; I168-V574 HydrophobicContact CG1-CG1 4.02Å; N550-V574 CarbonylContact O-C 3.56Å; N550-V574 WeakPolarHBondContact O-CA 3.21Å; L551-V574 HydrophobicContact CD2-CB 4.35Å; L551-V574 HydrophobicContact CD2-CG2 3.6Å
575L94.9Very high93.6Very high3 Ų346 Ų462%0.01622%0.217CC..PPolyproline II helixtrans-90.9124.7172.8-49-178000109.4M474 K476 F480 Y542 V546 N550 I552 I573 N577M474-L575 HydrophobicContact CB-CD2 4.14Å; M474-L575 WeakPolarHBondContact O-CA 3.45Å; K476-L575 HydrophobicContact CB-CB 4.25Å; F480-L575 HydrophobicContact CE1-CD2 3.69Å; F480-L575 HydrophobicContact CE2-CD2 4.43Å; F480-L575 HydrophobicContact CZ-CD2 3.47Å; F480-L575 VanDerWaalsContact CZ-CD2 3.47Å; Y542-L575 HydrophobicContact CD2-CD1 4.11Å; Y542-L575 HydrophobicContact CE2-CD1 3.66Å; V546-L575 HydrophobicContact CG1-CD1 4.41Å; V546-L575 HydrophobicContact CG2-CD1 4.43Å; N550-L575 HydrophobicContact CB-CB 4.11Å; N550-L575 WeakPolarHBondContact CB-O 3.44Å; N550-L575 PolarHBondContact ND2-O 3.15Å; N550-L575 PolarHBondContact O-N 3.45Å; I552-L575 HydrophobicContact CD1-CD1 4.11Å; I552-L575 HydrophobicContact CD1-CD2 4.45Å; I573-L575 HydrophobicContact CD1-CD2 4.34Å; L575-N577 PolarHBondContact O-N 3.36Å
576D93.2Very high94.1Very high45 Ų4544.4 Ų44.424%0.24123%0.226CC..BIsolated β-bridgetrans-68.7132.9178.7-72.7-38.3000110.8H166 M474 R475 K476H166-D576 IonicContact CD2-OD1 3.26Å; H166-D576 IonicContact CE1-OD1 3.36Å; H166-D576 IonicContact CE1-OD2 2.69Å; H166-D576 IonicContact NE2-OD1 2.79Å; H166-D576 PolarHBondContact NE2-OD1 2.95Å; H166-D576 IonicContact NE2-OD2 3.17Å; H166-D576 PolarHBondContact NE2-OD2 2.74Å; M474-D576 PolarHBondContact O-N 3.43Å; R475-D576 HydrophobicContact CG-CB 4.14Å; K476-D576 PolarHBondContact N-O 2.89Å
577N94.3Very high94.4Very high52 Ų5248.2 Ų48.228%0.27824%0.242SC..PPolyproline II helixtrans-74.2158164-85.8-27.6000110N550 L575 V668N550-N577 PolarHBondContact ND2-ND2 2.82Å; N550-N577 PolarHBondContact ND2-OD1 2.84Å; L575-N577 PolarHBondContact O-N 3.36Å; N577-V668 HydrophobicContact CB-CG1 3.97Å; N577-V668 HydrophobicContact CB-CG2 4.16Å
578P94.9Very high94.7Very high18 Ų1849.1 Ų49.112%0.11725%0.25CS..PPolyproline II helixtrans-67.2146.9177.230.4-35.7000110.9I580 L600 P603 L665 V668P578-I580 PolarHBondContact O-N 2.94Å; P578-L600 HydrophobicContact CB-CD1 4.39Å; P578-L600 HydrophobicContact CB-CD2 4.47Å; P578-L600 HydrophobicContact CB-CG 4.13Å; P578-L600 HydrophobicContact CG-CD1 3.67Å; P578-L600 HydrophobicContact CG-CD2 3.89Å; P578-L600 HydrophobicContact CG-CG 3.77Å; P578-P603 HydrophobicContact CB-CB 4.37Å; P578-P603 HydrophobicContact CB-CG 4.13Å; P578-P603 HydrophobicContact CG-CG 3.81Å; P578-L665 HydrophobicContact CG-CD2 3.78Å; P578-V668 HydrophobicContact CG-CG1 4.42Å; P578-V668 WeakPolarHBondContact O-CG1 3.27Å
579E94.8Very high95Very high143 Ų14352.5 Ų52.567%0.66827%0.265SS*.PPolyproline II helixtrans-66.6132.2177.6-174.2-169.5-172.700111
580I97.3Very high95.2Very high13 Ų1354.7 Ų54.77%0.06727%0.273CS..  trans-88.5115.6165.8-61.5179.3000108.7P578 V582 I598 L600 F613 V658 F660 V668P578-I580 PolarHBondContact O-N 2.94Å; I580-V582 HydrophobicContact CG2-CG2 3.98Å; I580-I598 HydrophobicContact CG2-CG2 3.53Å; I580-L600 HydrophobicContact CD1-CD1 4.36Å; I580-L600 HydrophobicContact CG1-CB 4.46Å; I580-L600 HydrophobicContact CG1-CD1 3.7Å; I580-F613 HydrophobicContact CG2-CE1 4.34Å; I580-V658 HydrophobicContact CD1-CG1 4.27Å; I580-V658 HydrophobicContact CG2-CB 4.38Å; I580-V658 HydrophobicContact CG2-CG1 3.87Å; I580-F660 HydrophobicContact CD1-CB 3.93Å; I580-V668 HydrophobicContact CD1-CB 4.36Å; I580-V668 HydrophobicContact CD1-CG1 3.93Å; I580-V668 VanDerWaalsContact CD1-O 3.25Å; I580-V668 WeakPolarHBondContact CD1-O 3.41Å; I580-V668 HydrophobicContact CG1-CG1 3.94Å
581K98.1Very high95.5Very high122 Ų12256.9 Ų56.953%0.5329%0.286SS..EExtended strand (participates in β ladder)trans-88.1128.4174.7-61.7175-177.2171.30109.5I598 S599K581-I598 WeakPolarHBondContact O-CA 3.23Å; K581-S599 PolarHBondContact N-O 3.45Å; K581-S599 PolarHBondContact O-N 2.78Å
582V98Very high95.8Very high18 Ų1859 Ų5911%0.10929%0.294CS..EExtended strand (participates in β ladder)trans-124.4122.4-178.7-174.40000110.1I580 I584 A596 E597 L656 V658 R672I580-V582 HydrophobicContact CG2-CG2 3.98Å; V582-I584 HydrophobicContact CG1-CD1 4.13Å; V582-A596 HydrophobicContact CG1-CB 4.47Å; V582-E597 WeakPolarHBondContact CA-O 3.41Å; V582-L656 HydrophobicContact CG1-CD2 4.49Å; V582-V658 HydrophobicContact CG2-CG2 3.78Å; V582-R672 HydrophobicContact CB-CB 3.93Å; V582-R672 HydrophobicContact CB-CG 4.36Å; V582-R672 HydrophobicContact CG1-CB 3.77Å; V582-R672 HydrophobicContact CG1-CG 4.18Å; V582-R672 HydrophobicContact CG2-CB 4.5Å
583R97.9Very high96Very high156 Ų15664.7 Ų64.759%0.58932%0.318SS*.EExtended strand (participates in β ladder)trans-118123.2174179.6170.268.8-162.37.9110.1L585 A596 E597R583-L585 HydrophobicContact CG-CD2 4.03Å; R583-A596 WeakPolarHBondContact O-CA 3.41Å; R583-E597 HydrophobicContact CB-CB 4.35Å; R583-E597 IonicContact CZ-OE2 2.71Å; R583-E597 PolarHBondContact N-O 2.84Å; R583-E597 IonicContact NE-OE2 3.45Å; R583-E597 PolarHBondContact NE-OE2 2.72Å; R583-E597 IonicContact NH2-OE1 2.71Å; R583-E597 IonicContact NH2-OE2 3.32Å; R583-E597 PolarHBondContact NH2-OE2 3.47Å; R583-E597 PolarHBondContact O-N 2.94Å
584I97.8Very high96.2Very high37 Ų3764.6 Ų64.619%0.1932%0.317CS..EExtended strand (participates in β ladder)trans-87.1129.2174.7-53.1-54.9000109.2V582 P588 L594 A596 F646 L656 R672 V674V582-I584 HydrophobicContact CG1-CD1 4.13Å; I584-P588 HydrophobicContact CG2-CG 4.43Å; I584-L594 HydrophobicContact CG2-CD1 4.34Å; I584-A596 HydrophobicContact CD1-CB 4.12Å; I584-F646 HydrophobicContact CD1-CE1 4.36Å; I584-F646 HydrophobicContact CD1-CZ 4.17Å; I584-L656 HydrophobicContact CD1-CD2 4.08Å; I584-R672 HydrophobicContact CG1-CG 4.33Å; I584-V674 HydrophobicContact CD1-CG2 4.08Å; I584-V674 HydrophobicContact CG1-CG1 4.42Å; I584-V674 HydrophobicContact CG1-CG2 3.88Å; I584-V674 HydrophobicContact CG2-CG1 4.49Å
585L97.6Very high96.4Very high54 Ų5464.5 Ų64.528%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-112.6144.9175.9-56.8-174.1000111R583 A595 E597R583-L585 HydrophobicContact CG-CD2 4.03Å; L585-A595 HydrophobicContact CB-CB 4.27Å; L585-A595 PolarHBondContact N-O 2.86Å; L585-A595 PolarHBondContact O-N 2.9Å; L585-A595 VanDerWaalsContact O-N 3.15Å; L585-E597 HydrophobicContact CD1-CG 3.86Å; L585-E597 WeakPolarHBondContact CD1-OE2 3.49Å; L585-E597 HydrophobicContact CG-CG 4.29Å
586G96Very high96.5Very high60 Ų6064.4 Ų64.462%0.61932%0.317SS*.SBendtrans92.6171.1-172.100000111.6P588G586-P588 WeakPolarHBondContact O-CD 3.26Å
587E96.3Very high96.8Very high87 Ų8764.5 Ų64.541%0.40732%0.316SS..  trans-86.7114.6177.2-172.7-175.8-174.800109.1K589 R592 L594E587-K589 VanDerWaalsContact CD-NZ 3.28Å; E587-K589 HydrophobicContact CG-CD 4.19Å; E587-K589 HydrophobicContact CG-CG 4.29Å; E587-K589 PolarHBondContact O-N 2.7Å; E587-K589 WeakPolarHBondContact OE1-CE 3.42Å; E587-K589 IonicContact OE1-NZ 2.59Å; E587-K589 PolarHBondContact OE1-NZ 2.97Å; E587-K589 IonicContact OE2-NZ 3.07Å; E587-K589 PolarHBondContact OE2-NZ 3.14Å; E587-R592 IonicContact OE2-CZ 3.69Å; E587-R592 IonicContact OE2-NH1 2.92Å; E587-R592 PolarHBondContact OE2-NH1 2.81Å; E587-L594 WeakPolarHBondContact O-CD2 3.35Å
588P96.6Very high96.9Very high41 Ų4162.1 Ų62.127%0.26630%0.303SS..  trans-67.498.9-177.2-17.431.8000111.6I584 G586 L594 V674 I675 I676 G677I584-P588 HydrophobicContact CG2-CG 4.43Å; G586-P588 WeakPolarHBondContact O-CD 3.26Å; P588-L594 HydrophobicContact CB-CD1 4.07Å; P588-V674 HydrophobicContact CB-CG1 4.12Å; P588-V674 HydrophobicContact CG-CG1 4.34Å; P588-I675 WeakPolarHBondContact CB-O 3.15Å; P588-I676 HydrophobicContact CB-CD1 3.82Å; P588-G677 PolarHBondContact O-N 3.33Å
589K96.9Very high97.1Very high73 Ų7362.4 Ų62.432%0.31731%0.305SS..BIsolated β-bridgetrans-135.9148.2179.7-81.3179.2164.9161.80110.7E587 N591 R592 P648 G677E587-K589 VanDerWaalsContact CD-NZ 3.28Å; E587-K589 HydrophobicContact CG-CD 4.19Å; E587-K589 HydrophobicContact CG-CG 4.29Å; E587-K589 PolarHBondContact O-N 2.7Å; E587-K589 WeakPolarHBondContact OE1-CE 3.42Å; E587-K589 IonicContact OE1-NZ 2.59Å; E587-K589 PolarHBondContact OE1-NZ 2.97Å; E587-K589 IonicContact OE2-NZ 3.07Å; E587-K589 PolarHBondContact OE2-NZ 3.14Å; K589-N591 PolarHBondContact O-N 3.06Å; K589-R592 HydrophobicContact CB-CB 4.14Å; K589-R592 WeakPolarHBondContact O-CB 3.43Å; K589-R592 PolarHBondContact O-N 2.82Å; K589-P648 VanDerWaalsContact O-CG 3.31Å; K589-P648 WeakPolarHBondContact O-CG 3.18Å; K589-G677 CarbonylContact C-O 3.57Å; K589-G677 WeakPolarHBondContact CA-O 3.05Å
590E95.3Very high97.2Very high59 Ų5955.7 Ų55.728%0.27627%0.274SS..THydrogen-bonded Turntrans-54137177.5-155.8176.1120.800111R592 T649 S651 I676 G677E590-R592 PolarHBondContact O-N 2.9Å; E590-T649 WeakPolarHBondContact CG-O 3.28Å; E590-S651 WeakPolarHBondContact OE2-CB 3.47Å; E590-S651 PolarHBondContact OE2-N 3.04Å; E590-S651 PolarHBondContact OE2-OG 3.47Å; E590-I676 HydrophobicContact CB-CG2 4.48Å; E590-G677 PolarHBondContact N-O 3.17Å
591N95.1Very high97.2Very high112 Ų11260.1 Ų60.160%0.59930%0.295SS*.THydrogen-bonded Turntrans58.118.5-180-57.3-54000115.1K589 P648K589-N591 PolarHBondContact O-N 3.06Å; N591-P648 WeakPolarHBondContact CA-O 3.49Å; N591-P648 PolarHBondContact N-O 2.87Å
592R96.2Very high97.2Very high117 Ų11754.4 Ų54.444%0.44227%0.27SS..  trans-111.6127.4176.6-171.7175.2-179178.1-5.1111.6E587 K589 E590 L594 P648E587-R592 IonicContact OE2-CZ 3.69Å; E587-R592 IonicContact OE2-NH1 2.92Å; E587-R592 PolarHBondContact OE2-NH1 2.81Å; K589-R592 HydrophobicContact CB-CB 4.14Å; K589-R592 WeakPolarHBondContact O-CB 3.43Å; K589-R592 PolarHBondContact O-N 2.82Å; E590-R592 PolarHBondContact O-N 2.9Å; R592-L594 PolarHBondContact O-N 2.92Å; R592-P648 VanDerWaalsContact O-CD 3.25Å; R592-P648 WeakPolarHBondContact O-CD 3.25Å
593K96.9Very high97.1Very high137 Ų13755.1 Ų55.160%0.59628%0.275SS*.  trans-58.8128.8179.2-168.1173.1-176.21760111.9Y645K593-Y645 HydrophobicContact CD-CD1 4.37Å; K593-Y645 VanDerWaalsContact CE-CB 3.45Å; K593-Y645 HydrophobicContact CG-CD1 4.33Å
594L97.5Very high97Very high2 Ų247.9 Ų47.91%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-115.8164.8175-64.9175.6000110.9I584 E587 P588 R592 Y645 F646 P648 I676I584-L594 HydrophobicContact CG2-CD1 4.34Å; E587-L594 WeakPolarHBondContact O-CD2 3.35Å; P588-L594 HydrophobicContact CB-CD1 4.07Å; R592-L594 PolarHBondContact O-N 2.92Å; L594-Y645 VanDerWaalsContact O-CA 3.29Å; L594-Y645 WeakPolarHBondContact O-CA 3.39Å; L594-F646 HydrophobicContact CB-CD1 4.39Å; L594-F646 HydrophobicContact CB-CD2 4.44Å; L594-F646 HydrophobicContact CB-CE1 3.91Å; L594-F646 HydrophobicContact CB-CE2 4Å; L594-F646 HydrophobicContact CB-CZ 3.71Å; L594-F646 HydrophobicContact CD1-CE2 3.75Å; L594-F646 HydrophobicContact CD1-CZ 3.85Å; L594-F646 HydrophobicContact CG-CE2 4.47Å; L594-F646 HydrophobicContact CG-CZ 4.44Å; L594-F646 PolarHBondContact N-O 3.25Å; L594-F646 PolarHBondContact O-N 2.79Å; L594-P648 HydrophobicContact CD1-CG 4.04Å; L594-I676 HydrophobicContact CD1-CD1 4.17Å
595A97.8Very high96.9Very high6 Ų649.8 Ų49.85%0.0526%0.263CS..EExtended strand (participates in β ladder)trans-127.7134.1169.200000111L585 K643 I644 Y645L585-A595 HydrophobicContact CB-CB 4.27Å; L585-A595 PolarHBondContact N-O 2.86Å; L585-A595 PolarHBondContact O-N 2.9Å; L585-A595 VanDerWaalsContact O-N 3.15Å; A595-K643 HydrophobicContact CB-CD 4.16Å; A595-K643 HydrophobicContact CB-CG 3.98Å; A595-I644 CarbonylContact C-O 3.54Å; A595-I644 WeakPolarHBondContact CA-O 3.25Å; A595-Y645 HydrophobicContact CB-CD1 3.69Å; A595-Y645 HydrophobicContact CB-CE1 3.66Å; A595-Y645 HydrophobicContact CB-CG 4.39Å
596A98.3Very high96.8Very high0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-97.9118.3167.100000108.9V582 R583 I584 I598 K643 I644 F646 L656V582-A596 HydrophobicContact CG1-CB 4.47Å; R583-A596 WeakPolarHBondContact O-CA 3.41Å; I584-A596 HydrophobicContact CD1-CB 4.12Å; A596-I598 HydrophobicContact CB-CD1 4.17Å; A596-I598 HydrophobicContact CB-CG1 4.03Å; A596-K643 WeakPolarHBondContact O-CA 3.46Å; A596-I644 PolarHBondContact N-O 3Å; A596-I644 PolarHBondContact O-N 3.03Å; A596-F646 HydrophobicContact CB-CD1 4.47Å; A596-F646 HydrophobicContact CB-CE1 3.93Å; A596-L656 HydrophobicContact CB-CD2 3.95Å
597E98.2Very high96.8Very high47 Ų4750.8 Ų50.822%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-88.6121.7163.9-76.5176.6152.700108.9V582 R583 L585 V642 K643V582-E597 WeakPolarHBondContact CA-O 3.41Å; R583-E597 HydrophobicContact CB-CB 4.35Å; R583-E597 IonicContact CZ-OE2 2.71Å; R583-E597 PolarHBondContact N-O 2.84Å; R583-E597 IonicContact NE-OE2 3.45Å; R583-E597 PolarHBondContact NE-OE2 2.72Å; R583-E597 IonicContact NH2-OE1 2.71Å; R583-E597 IonicContact NH2-OE2 3.32Å; R583-E597 PolarHBondContact NH2-OE2 3.47Å; R583-E597 PolarHBondContact O-N 2.94Å; L585-E597 HydrophobicContact CD1-CG 3.86Å; L585-E597 WeakPolarHBondContact CD1-OE2 3.49Å; L585-E597 HydrophobicContact CG-CG 4.29Å; E597-V642 WeakPolarHBondContact CA-O 3.36Å; E597-K643 VanDerWaalsContact CD-CE 3.45Å; E597-K643 HydrophobicContact CG-CB 4.34Å; E597-K643 HydrophobicContact CG-CD 4.44Å; E597-K643 HydrophobicContact CG-CG 4.31Å; E597-K643 WeakPolarHBondContact OE1-CE 3.44Å; E597-K643 IonicContact OE1-NZ 2.96Å; E597-K643 PolarHBondContact OE1-NZ 3.23Å
598I98.4Very high96.9Very high3 Ų346.6 Ų46.62%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-124.2133.8-169.7-51.9172.5000107.6I580 K581 A596 F613 I615 K641 V642 I644 V658I580-I598 HydrophobicContact CG2-CG2 3.53Å; K581-I598 WeakPolarHBondContact O-CA 3.23Å; A596-I598 HydrophobicContact CB-CD1 4.17Å; A596-I598 HydrophobicContact CB-CG1 4.03Å; I598-F613 HydrophobicContact CB-CD1 4.38Å; I598-F613 HydrophobicContact CG2-CD1 3.45Å; I598-F613 VanDerWaalsContact CG2-CD1 3.45Å; I598-F613 HydrophobicContact CG2-CE1 3.5Å; I598-F613 HydrophobicContact CG2-CG 4.11Å; I598-F613 HydrophobicContact CG2-CZ 4.19Å; I598-I615 HydrophobicContact CD1-CG2 3.43Å; I598-I615 VanDerWaalsContact CD1-CG2 3.43Å; I598-K641 WeakPolarHBondContact O-CA 3.47Å; I598-V642 HydrophobicContact CB-CG2 3.93Å; I598-V642 HydrophobicContact CD1-CG2 4.4Å; I598-V642 PolarHBondContact N-O 2.9Å; I598-V642 PolarHBondContact O-N 2.85Å; I598-I644 HydrophobicContact CD1-CD1 4.01Å; I598-I644 HydrophobicContact CD1-CG1 4.36Å; I598-V658 HydrophobicContact CD1-CG1 4.02Å; I598-V658 HydrophobicContact CG2-CG1 3.78Å
599S97.8Very high96.9Very high23 Ų2347.1 Ų47.116%0.16124%0.235CC..EExtended strand (participates in β ladder)trans-144.7147177.467.50000113.6K581 A640K581-S599 PolarHBondContact N-O 3.45Å; K581-S599 PolarHBondContact O-N 2.78Å; S599-A640 CarbonylContact C-O 3.59Å; S599-A640 WeakPolarHBondContact CA-O 3.34Å
600L97.8Very high96.8Very high2 Ų249.4 Ų49.41%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-141134.9174.9174.5151000108.7P578 I580 F613 D639 A640 F660 L665 V668P578-L600 HydrophobicContact CB-CD1 4.39Å; P578-L600 HydrophobicContact CB-CD2 4.47Å; P578-L600 HydrophobicContact CB-CG 4.13Å; P578-L600 HydrophobicContact CG-CD1 3.67Å; P578-L600 HydrophobicContact CG-CD2 3.89Å; P578-L600 HydrophobicContact CG-CG 3.77Å; I580-L600 HydrophobicContact CD1-CD1 4.36Å; I580-L600 HydrophobicContact CG1-CB 4.46Å; I580-L600 HydrophobicContact CG1-CD1 3.7Å; L600-F613 HydrophobicContact CB-CE1 4.13Å; L600-F613 HydrophobicContact CB-CZ 3.8Å; L600-D639 CarbonylContact O-C 3.59Å; L600-D639 WeakPolarHBondContact O-CA 3.46Å; L600-A640 PolarHBondContact N-O 3.36Å; L600-A640 PolarHBondContact O-N 2.93Å; L600-F660 HydrophobicContact CD1-CB 4.12Å; L600-F660 HydrophobicContact CD1-CD1 3.9Å; L600-F660 HydrophobicContact CD1-CE1 4.5Å; L600-F660 HydrophobicContact CD1-CG 3.95Å; L600-F660 HydrophobicContact CD2-CD1 4.32Å; L600-F660 HydrophobicContact CD2-CE1 4.1Å; L600-F660 HydrophobicContact CD2-CZ 4.23Å; L600-L665 HydrophobicContact CD2-CD2 4.12Å; L600-V668 HydrophobicContact CD1-CB 4.1Å; L600-V668 HydrophobicContact CD1-CG1 3.68Å; L600-V668 HydrophobicContact CD1-CG2 4.37Å
601Q97.4Very high96.9Very high107 Ų10746.6 Ų46.650%0.524%0.238SC..EExtended strand (participates in β ladder)trans-86.4131.5174.1-173.2176.744.300109.8P603 G637 E638Q601-P603 VanDerWaalsContact O-CD 3.22Å; Q601-P603 WeakPolarHBondContact O-CD 3.12Å; Q601-G637 WeakPolarHBondContact CG-O 3.35Å; Q601-G637 PolarHBondContact NE2-O 3.05Å; Q601-E638 WeakPolarHBondContact CA-O 3.34Å
602N97.5Very high97Very high2 Ų241.9 Ų41.91%0.01121%0.213CC..  trans-65.3113.6175.617711.1000110.5L604 E606 L608 V634 G635 G637 E638N602-L604 WeakPolarHBondContact OD1-CB 3.19Å; N602-L604 PolarHBondContact OD1-N 3.01Å; N602-E606 PolarHBondContact ND2-O 2.72Å; N602-L608 HydrophobicContact CB-CD1 3.92Å; N602-L608 HydrophobicContact CB-CG 4.38Å; N602-L608 WeakPolarHBondContact OD1-CD1 3.17Å; N602-V634 HydrophobicContact CB-CG1 4.03Å; N602-V634 PolarHBondContact ND2-O 3.02Å; N602-G635 WeakPolarHBondContact CB-O 3.32Å; N602-G635 VanDerWaalsContact ND2-C 3.34Å; N602-G635 PolarHBondContact ND2-O 3.45Å; N602-G637 WeakPolarHBondContact O-CA 3.5Å; N602-G637 PolarHBondContact O-N 3.11Å; N602-G637 VanDerWaalsContact O-N 3.1Å; N602-E638 PolarHBondContact N-O 3.3Å
603P95.4Very high97.1Very high33 Ų3336.3 Ų36.321%0.21419%0.192CC..  trans-88-9.7-17839.3-37.5000112.8P578 Q601 L665P578-P603 HydrophobicContact CB-CB 4.37Å; P578-P603 HydrophobicContact CB-CG 4.13Å; P578-P603 HydrophobicContact CG-CG 3.81Å; Q601-P603 VanDerWaalsContact O-CD 3.22Å; Q601-P603 WeakPolarHBondContact O-CD 3.12Å; P603-L665 HydrophobicContact CG-CD2 4.14Å
604L96.1Very high97.1Very high4 Ų429.9 Ų29.92%0.02117%0.165CC..SBendtrans-82.9150-175.4-54.9-171.1000110.3K476 Y539 N602 E606 L608 P636 K664 L665K476-L604 HydrophobicContact CG-CD2 4.29Å; Y539-L604 HydrophobicContact CE2-CD2 4.01Å; N602-L604 WeakPolarHBondContact OD1-CB 3.19Å; N602-L604 PolarHBondContact OD1-N 3.01Å; L604-E606 PolarHBondContact O-N 3.09Å; L604-E606 VanDerWaalsContact O-N 3.08Å; L604-L608 HydrophobicContact CD1-CD2 3.7Å; L604-L608 HydrophobicContact CG-CD2 4.38Å; L604-P636 WeakPolarHBondContact O-CB 3.34Å; L604-K664 HydrophobicContact CD1-CB 3.83Å; L604-L665 HydrophobicContact CD1-CB 4.39Å
605P95.6Very high97Very high77 Ų7729.8 Ų29.850%0.516%0.164SC..SBendtrans-73.79.6171.632.6-35000112.9Y539Y539-P605 HydrophobicContact CD1-CG 3.36Å; Y539-P605 HydrophobicContact CE1-CG 3.56Å; Y539-P605 HydrophobicContact CG-CG 4.31Å
606E95Very high96.9Very high79 Ų7929.6 Ų29.637%0.36916%0.163SC..SBendtrans-129.6153.9-175.4-66.2-178.95500110.8N602 L604 K664N602-E606 PolarHBondContact ND2-O 2.72Å; L604-E606 PolarHBondContact O-N 3.09Å; L604-E606 VanDerWaalsContact O-N 3.08Å; E606-K664 HydrophobicContact CB-CD 4.44Å; E606-K664 IonicContact OE1-NZ 2.69Å; E606-K664 PolarHBondContact OE1-NZ 2.97Å
607P97Very high96.7Very high55 Ų5529.6 Ų29.636%0.35716%0.163SC..  trans-66.3148.5175.426.3-33.5000112.5T633 V634P607-T633 HydrophobicContact CB-CG2 3.51Å; P607-V634 WeakPolarHBondContact CA-O 3.24Å
608L97.5Very high96.5Very high0 Ų027.4 Ų27.40%015%0.152CC..BIsolated β-bridgetrans-104.7126.8172.3-58178.5000110.4N602 L604 C611 T633 V634 F660 K664 L665N602-L608 HydrophobicContact CB-CD1 3.92Å; N602-L608 HydrophobicContact CB-CG 4.38Å; N602-L608 WeakPolarHBondContact OD1-CD1 3.17Å; L604-L608 HydrophobicContact CD1-CD2 3.7Å; L604-L608 HydrophobicContact CG-CD2 4.38Å; L608-C611 VanDerWaalsContact CB-SG 3.55Å; L608-T633 WeakPolarHBondContact O-CA 3.33Å; L608-V634 HydrophobicContact CB-CB 4.4Å; L608-V634 PolarHBondContact N-O 2.91Å; L608-V634 PolarHBondContact O-N 2.91Å; L608-F660 HydrophobicContact CD1-CE1 4.19Å; L608-F660 HydrophobicContact CD1-CZ 4.11Å; L608-K664 HydrophobicContact CD2-CB 3.97Å; L608-L665 HydrophobicContact CD1-CB 4.26Å; L608-L665 HydrophobicContact CD1-CD2 4.12Å; L608-L665 HydrophobicContact CD2-CB 3.92Å
609D97.1Very high96.2Very high51 Ų5127.8 Ų27.827%0.27315%0.154SC..  trans-110.2162.4175.6-55.4-65.5000110.7C611 T633 S662 N663D609-C611 PolarHBondContact O-N 3.12Å; D609-C611 VanDerWaalsContact O-N 3.16Å; D609-T633 WeakPolarHBondContact OD1-CB 3.27Å; D609-T633 WeakPolarHBondContact OD1-CG2 3.2Å; D609-T633 PolarHBondContact OD1-OG1 3.44Å; D609-S662 WeakPolarHBondContact O-CB 3.44Å; D609-N663 PolarHBondContact N-OD1 3.41Å; D609-N663 PolarHBondContact O-N 2.97Å; D609-N663 PolarHBondContact O-OD1 2.91Å; D609-N663 PolarHBondContact OD2-ND2 3.08Å; D609-N663 VanDerWaalsContact OD2-ND2 3.09Å
610N95.9Very high96Very high121 Ų12126.7 Ų26.765%0.64715%0.147SC*.SBendtrans55.531.2178.5-57-38.3000113.5C612N610-C612 PolarHBondContact O-N 2.86Å
611C97.4Very high95.8Very high0 Ų027 Ų270%015%0.149CC..  trans-58.8129.4-179.8-66.30000110.7L608 D609 R629 L630 V634 F660 D661L608-C611 VanDerWaalsContact CB-SG 3.55Å; D609-C611 PolarHBondContact O-N 3.12Å; D609-C611 VanDerWaalsContact O-N 3.16Å; C611-R629 WeakPolarHBondContact O-CA 3.36Å; C611-L630 HydrophobicContact CB-CB 4.09Å; C611-L630 HydrophobicContact CB-CD1 4.01Å; C611-L630 HydrophobicContact CB-CD2 4.17Å; C611-L630 HydrophobicContact CB-CG 4.32Å; C611-L630 PolarHBondContact O-N 2.82Å; C611-V634 HydrophobicContact CB-CG2 4.49Å; C611-F660 HydrophobicContact CB-CE2 3.85Å; C611-F660 HydrophobicContact CB-CZ 3.99Å; C611-D661 CarbonylContact C-O 3.56Å; C611-D661 WeakPolarHBondContact CA-O 3.34Å
612C97.1Very high95.2Very high13 Ų1323.7 Ų23.79%0.08814%0.143CC..EExtended strand (participates in β ladder)trans-137.9127.4179.9-169.80000109.3N610 E628 R629 F660 D661N610-C612 PolarHBondContact O-N 2.86Å; C612-E628 WeakPolarHBondContact CA-O 3.46Å; C612-R629 HydrophobicContact CB-CG 4.04Å; C612-F660 WeakPolarHBondContact O-CA 3.38Å; C612-D661 PolarHBondContact N-O 3.49Å; C612-D661 PolarHBondContact O-N 2.87Å
613F97.6Very high94.6Very high0 Ų023.9 Ų23.90%015%0.145CC..EExtended strand (participates in β ladder)trans-98.6152.5164.6-75.9-80.4000109.5I580 I598 L600 S627 E628 L630 A640 V642 I644 V658 D659 F660I580-F613 HydrophobicContact CG2-CE1 4.34Å; I598-F613 HydrophobicContact CB-CD1 4.38Å; I598-F613 HydrophobicContact CG2-CD1 3.45Å; I598-F613 VanDerWaalsContact CG2-CD1 3.45Å; I598-F613 HydrophobicContact CG2-CE1 3.5Å; I598-F613 HydrophobicContact CG2-CG 4.11Å; I598-F613 HydrophobicContact CG2-CZ 4.19Å; L600-F613 HydrophobicContact CB-CE1 4.13Å; L600-F613 HydrophobicContact CB-CZ 3.8Å; F613-S627 CarbonylContact O-C 3.44Å; F613-S627 WeakPolarHBondContact O-CA 3.23Å; F613-E628 PolarHBondContact N-O 2.96Å; F613-E628 PolarHBondContact O-N 2.83Å; F613-L630 HydrophobicContact CD2-CD1 3.84Å; F613-L630 HydrophobicContact CE2-CD1 4.12Å; F613-A640 HydrophobicContact CE2-CB 3.82Å; F613-A640 HydrophobicContact CZ-CB 4.1Å; F613-V642 HydrophobicContact CB-CG2 3.65Å; F613-V642 HydrophobicContact CD2-CB 4.23Å; F613-V642 HydrophobicContact CD2-CG1 3.73Å; F613-V642 HydrophobicContact CD2-CG2 3.51Å; F613-V642 HydrophobicContact CE2-CG1 4.41Å; F613-V642 HydrophobicContact CE2-CG2 4.31Å; F613-V642 HydrophobicContact CG-CG2 3.74Å; F613-I644 HydrophobicContact CB-CD1 4.25Å; F613-V658 HydrophobicContact CD1-CG1 4.35Å; F613-D659 CarbonylContact C-O 3.56Å; F613-D659 WeakPolarHBondContact CA-O 3.39Å; F613-F660 HydrophobicContact CD1-CB 3.89Å; F613-F660 AromaticContact CD1-CD2 3.8Å; F613-F660 HydrophobicContact CD1-CD2 3.8Å; F613-F660 HydrophobicContact CD1-CG 4.34Å; F613-F660 AromaticContact CD2-CD2 3.99Å; F613-F660 HydrophobicContact CD2-CD2 3.99Å; F613-F660 HydrophobicContact CD2-CE2 4.45Å; F613-F660 HydrophobicContact CE1-CB 3.78Å; F613-F660 AromaticContact CE1-CD2 3.47Å; F613-F660 HydrophobicContact CE1-CD2 3.47Å; F613-F660 VanDerWaalsContact CE1-CD2 3.47Å; F613-F660 HydrophobicContact CE1-CE2 4.42Å; F613-F660 HydrophobicContact CE1-CG 4.01Å; F613-F660 AromaticContact CE2-CD2 3.69Å; F613-F660 HydrophobicContact CE2-CD2 3.69Å; F613-F660 AromaticContact CE2-CE2 3.96Å; F613-F660 HydrophobicContact CE2-CE2 3.96Å; F613-F660 HydrophobicContact CG-CD2 4.07Å; F613-F660 AromaticContact CZ-CD2 3.42Å; F613-F660 HydrophobicContact CZ-CD2 3.42Å; F613-F660 VanDerWaalsContact CZ-CD2 3.42Å; F613-F660 AromaticContact CZ-CE2 3.95Å; F613-F660 HydrophobicContact CZ-CE2 3.95Å; F613-F660 HydrophobicContact CZ-CG 4.32Å
614S96.4Very high94.2Very high2 Ų227 Ų271%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-153.9147.1175.456.70000111.4R247 I626 S627 V658 D659R247-S614 PolarHBondContact NH1-OG 3.1Å; R247-S614 PolarHBondContact NH2-OG 2.98Å; S614-I626 CarbonylContact C-O 3.54Å; S614-I626 VanDerWaalsContact CA-O 3.23Å; S614-I626 WeakPolarHBondContact CA-O 3.26Å; S614-S627 WeakPolarHBondContact CB-OG 3.34Å; S614-V658 WeakPolarHBondContact O-CA 3.29Å; S614-D659 PolarHBondContact N-O 2.89Å; S614-D659 PolarHBondContact O-N 2.99Å
615I96.4Very high94Very high0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-128.7148.9-174.264.4175.7000111.9I598 T621 I626 I644 F646 L656 V657 V658I598-I615 HydrophobicContact CD1-CG2 3.43Å; I598-I615 VanDerWaalsContact CD1-CG2 3.43Å; I615-T621 HydrophobicContact CD1-CG2 4.48Å; I615-T621 HydrophobicContact CG1-CG2 4.35Å; I615-I626 HydrophobicContact CD1-CB 4.48Å; I615-I626 HydrophobicContact CG1-CB 3.92Å; I615-I626 PolarHBondContact N-O 2.81Å; I615-I626 PolarHBondContact O-N 2.81Å; I615-I644 HydrophobicContact CD1-CB 3.91Å; I615-I644 HydrophobicContact CD1-CG2 3.42Å; I615-I644 VanDerWaalsContact CD1-CG2 3.42Å; I615-I644 HydrophobicContact CG1-CG2 3.9Å; I615-I644 HydrophobicContact CG2-CD1 4.24Å; I615-F646 HydrophobicContact CD1-CB 4.35Å; I615-F646 HydrophobicContact CD1-CD1 4.02Å; I615-F646 HydrophobicContact CD1-CG 4.43Å; I615-L656 HydrophobicContact CB-CD1 4.08Å; I615-L656 HydrophobicContact CB-CG 4.38Å; I615-L656 HydrophobicContact CD1-CD1 4.22Å; I615-L656 HydrophobicContact CG2-CD2 4.5Å; I615-V657 VanDerWaalsContact CA-O 3.28Å; I615-V657 WeakPolarHBondContact CA-O 3.35Å; I615-V658 HydrophobicContact CG2-CB 4.47Å; I615-V658 HydrophobicContact CG2-CG1 4.22Å; I615-V658 HydrophobicContact CG2-CG2 3.97Å
616E95.3Very high94.1Very high3 Ų327.9 Ų27.91%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-149.2147.8174.8-169.2-173.5166.500108.9N173 I625 V657N173-E616 PolarHBondContact ND2-OE1 3.38Å; E616-I625 HydrophobicContact CB-CG1 4.39Å; E616-I625 HydrophobicContact CG-CG1 4.31Å; E616-V657 PolarHBondContact N-O 2.94Å; E616-V657 WeakPolarHBondContact O-CB 3.41Å; E616-V657 PolarHBondContact O-N 3.43Å
617G94.6Very high94.1Very high0 Ų027.1 Ų27.10%016%0.163CC..  trans-171.1136.2168.600000111.3N619 L620 T621G617-N619 PolarHBondContact O-N 2.73Å; G617-L620 WeakPolarHBondContact O-CB 3.47Å; G617-L620 PolarHBondContact O-N 2.84Å; G617-T621 PolarHBondContact N-OG1 2.8Å; G617-T621 PolarHBondContact O-N 2.7Å; G617-T621 VanDerWaalsContact O-N 3.14Å; G617-T621 PolarHBondContact O-OG1 2.61Å
618A93.6Very high94.1Very high0 Ų029 Ų290%017%0.167CC..THydrogen-bonded Turntrans-58.2130.2178.900000110.4Q155 N173 E178 L620Q155-A618 HydrophobicContact CB-CB 3.54Å; Q155-A618 HydrophobicContact CG-CB 4.29Å; N173-A618 WeakPolarHBondContact OD1-CB 3.41Å; E178-A618 VanDerWaalsContact OE1-CA 3.24Å; E178-A618 WeakPolarHBondContact OE1-CA 3.5Å; A618-L620 PolarHBondContact O-N 3.3Å; A618-L620 VanDerWaalsContact O-N 3.08Å
619N91.8Very high94.1Very high11 Ų1137.6 Ų37.66%0.05920%0.199CC..THydrogen-bonded Turntrans58.212.6-173.5-51.8-56.5000115.9Q155 E178 G617 P648 T649 H650 R654Q155-N619 PolarHBondContact NE2-ND2 3.49Å; E178-N619 PolarHBondContact OE1-N 2.95Å; E178-N619 VanDerWaalsContact OE1-N 3.11Å; G617-N619 PolarHBondContact O-N 2.73Å; N619-P648 CarbonylContact O-C 3.57Å; N619-P648 VanDerWaalsContact O-CA 3.24Å; N619-P648 WeakPolarHBondContact O-CA 3.41Å; N619-T649 WeakPolarHBondContact CA-OG1 3.42Å; N619-T649 PolarHBondContact O-N 2.68Å; N619-T649 PolarHBondContact O-OG1 3.06Å; N619-H650 HydrophobicContact CB-CB 3.89Å; N619-H650 PolarHBondContact OD1-CE1 2.93Å; N619-H650 PolarHBondContact OD1-ND1 2.83Å; N619-R654 PolarHBondContact ND2-NE 2.9Å
620L94.6Very high94Very high0 Ų036.5 Ų36.50%019%0.194CC..THydrogen-bonded Turntrans-108.8-40.4174.4-65.1-177.4000111.9G617 A618 F646 T647 P648 R654 L656 I676G617-L620 WeakPolarHBondContact O-CB 3.47Å; G617-L620 PolarHBondContact O-N 2.84Å; A618-L620 PolarHBondContact O-N 3.3Å; A618-L620 VanDerWaalsContact O-N 3.08Å; L620-F646 HydrophobicContact CB-CD2 4.23Å; L620-F646 HydrophobicContact CB-CE2 4.41Å; L620-F646 HydrophobicContact CD2-CE2 4.31Å; L620-F646 WeakPolarHBondContact O-CD2 3.43Å; L620-T647 CarbonylContact O-C 3.57Å; L620-T647 VanDerWaalsContact O-C 3.27Å; L620-T647 PolarHBondContact O-N 3.02Å; L620-P648 HydrophobicContact CD2-CB 3.82Å; L620-R654 HydrophobicContact CD1-CB 3.83Å; L620-R654 HydrophobicContact CD2-CB 3.78Å; L620-R654 HydrophobicContact CD2-CG 4.03Å; L620-R654 HydrophobicContact CG-CB 3.82Å; L620-R654 HydrophobicContact CG-CG 4.33Å; L620-L656 HydrophobicContact CB-CD1 4.44Å; L620-L656 HydrophobicContact CD1-CB 3.9Å; L620-L656 HydrophobicContact CD1-CD1 4Å; L620-I676 HydrophobicContact CD2-CD1 4Å; L620-I676 HydrophobicContact CD2-CG1 3.96Å
621T93.6Very high93.7Very high10 Ų1035.1 Ų35.16%0.06121%0.208CC..SBendtrans-115.911.3-174.362.60000113.4I615 G617 G623 N624 I626 F646 L656I615-T621 HydrophobicContact CD1-CG2 4.48Å; I615-T621 HydrophobicContact CG1-CG2 4.35Å; G617-T621 PolarHBondContact N-OG1 2.8Å; G617-T621 PolarHBondContact O-N 2.7Å; G617-T621 VanDerWaalsContact O-N 3.14Å; G617-T621 PolarHBondContact O-OG1 2.61Å; T621-G623 VanDerWaalsContact C-N 3.28Å; T621-G623 PolarHBondContact O-N 2.88Å; T621-N624 WeakPolarHBondContact CB-O 3.24Å; T621-N624 PolarHBondContact O-N 2.85Å; T621-N624 PolarHBondContact OG1-O 2.81Å; T621-I626 HydrophobicContact CG2-CD1 3.98Å; T621-I626 HydrophobicContact CG2-CG1 4.43Å; T621-F646 HydrophobicContact CG2-CB 4.24Å; T621-L656 HydrophobicContact CG2-CD1 4.3Å
622G84.5Confident93.5Very high37 Ų3739.1 Ų39.138%0.38124%0.235SC..THydrogen-bonded Turntrans61.835.6-179.200000112.9N624G622-N624 PolarHBondContact O-N 3.37Å; G622-N624 PolarHBondContact O-ND2 3.23Å; G622-N624 VanDerWaalsContact O-ND2 3.16Å
623G83.3Confident93.5Very high5 Ų542 Ų425%0.05225%0.252CS..THydrogen-bonded Turntrans69.312-177.400000114.9E178 R254 T621E178-G623 WeakPolarHBondContact OE2-CA 3.37Å; E178-G623 PolarHBondContact OE2-N 2.8Å; E178-G623 VanDerWaalsContact OE2-N 3.15Å; R254-G623 PolarHBondContact NH1-O 2.81Å; T621-G623 VanDerWaalsContact C-N 3.28Å; T621-G623 PolarHBondContact O-N 2.88Å
624N87.7Confident93.5Very high98 Ų9842.2 Ų42.252%0.52425%0.253SS..  trans-108.6151.6178.4-61.9-60.8000111.4T621 G622T621-N624 WeakPolarHBondContact CB-O 3.24Å; T621-N624 PolarHBondContact O-N 2.85Å; T621-N624 PolarHBondContact OG1-O 2.81Å; G622-N624 PolarHBondContact O-N 3.37Å; G622-N624 PolarHBondContact O-ND2 3.23Å; G622-N624 VanDerWaalsContact O-ND2 3.16Å
625I92.8Very high93.6Very high51 Ų5142.7 Ų42.726%0.26226%0.259SS..  trans-85.2127.9168.1-66.3168.6000108.2E251 E616E251-I625 HydrophobicContact CB-CD1 4.42Å; E251-I625 HydrophobicContact CG-CD1 4.41Å; E251-I625 WeakPolarHBondContact OE2-CD1 3.42Å; E616-I625 HydrophobicContact CB-CG1 4.39Å; E616-I625 HydrophobicContact CG-CG1 4.31Å
626I96Very high93.6Very high50 Ų5046.1 Ų46.126%0.25628%0.281SS..EExtended strand (participates in β ladder)trans-110.7118.2176.4-48.2175.5000107.9S614 I615 T621 I644 F646S614-I626 CarbonylContact C-O 3.54Å; S614-I626 VanDerWaalsContact CA-O 3.23Å; S614-I626 WeakPolarHBondContact CA-O 3.26Å; I615-I626 HydrophobicContact CD1-CB 4.48Å; I615-I626 HydrophobicContact CG1-CB 3.92Å; I615-I626 PolarHBondContact N-O 2.81Å; I615-I626 PolarHBondContact O-N 2.81Å; T621-I626 HydrophobicContact CG2-CD1 3.98Å; T621-I626 HydrophobicContact CG2-CG1 4.43Å; I626-I644 HydrophobicContact CB-CG2 4.02Å; I626-I644 HydrophobicContact CG2-CG2 3.41Å; I626-I644 VanDerWaalsContact CG2-CG2 3.41Å; I626-F646 HydrophobicContact CD1-CB 3.99Å
627S96.2Very high93.7Very high62 Ų6247.9 Ų47.943%0.43430%0.3SS..EExtended strand (participates in β ladder)trans-119.4143.2-174.6-58.80000111.7F613 S614F613-S627 CarbonylContact O-C 3.44Å; F613-S627 WeakPolarHBondContact O-CA 3.23Å; S614-S627 WeakPolarHBondContact CB-OG 3.34Å
628E97.3Very high93.8Very high95 Ų9553.3 Ų53.344%0.44433%0.325SS..EExtended strand (participates in β ladder)trans-132.6120.8176.5-172.967.5-168.200109.6C612 F613 V642 I644C612-E628 WeakPolarHBondContact CA-O 3.46Å; F613-E628 PolarHBondContact N-O 2.96Å; F613-E628 PolarHBondContact O-N 2.83Å; E628-V642 HydrophobicContact CB-CB 4.32Å; E628-V642 HydrophobicContact CB-CG1 4.23Å; E628-V642 HydrophobicContact CG-CB 4.01Å; E628-V642 HydrophobicContact CG-CG1 3.82Å; E628-I644 HydrophobicContact CB-CD1 3.83Å; E628-I644 HydrophobicContact CB-CG1 3.82Å
629R96.4Very high94Very high180 Ų18056.8 Ų56.868%0.67934%0.344SS*.EExtended strand (participates in β ladder)trans-92.8138177.6-68.9-177-175.3-87.5-0110.4C611 C612C611-R629 WeakPolarHBondContact O-CA 3.36Å; C612-R629 HydrophobicContact CB-CG 4.04Å
630L95.3Very high94.3Very high29 Ų2956.2 Ų56.215%0.15234%0.341CS..  trans-78.6133.8171.7-7372.5000109.3C611 F613 C632 V634 A640 V642C611-L630 HydrophobicContact CB-CB 4.09Å; C611-L630 HydrophobicContact CB-CD1 4.01Å; C611-L630 HydrophobicContact CB-CD2 4.17Å; C611-L630 HydrophobicContact CB-CG 4.32Å; C611-L630 PolarHBondContact O-N 2.82Å; F613-L630 HydrophobicContact CD2-CD1 3.84Å; F613-L630 HydrophobicContact CE2-CD1 4.12Å; L630-C632 PolarHBondContact O-N 3.26Å; L630-V634 HydrophobicContact CD2-CG2 3.88Å; L630-A640 HydrophobicContact CD2-CB 3.7Å; L630-V642 HydrophobicContact CD1-CG1 3.48Å; L630-V642 VanDerWaalsContact CD1-CG1 3.48Å; L630-V642 HydrophobicContact CG-CG1 4.1Å
631G90.8Very high94.4Very high91 Ų9162.2 Ų62.294%0.93837%0.367SS*.SBendtrans-81.14.2177.200000114.8
632C92.3Very high94.6Very high84 Ų8462.7 Ų62.757%0.56837%0.37SS*.SBendtrans-135.1152.5-177.665.20000111.8L630L630-C632 PolarHBondContact O-N 3.26Å
633T96.9Very high95.2Very high73 Ų7364.8 Ų64.845%0.44837%0.368SS..  trans-65.3141.6167.2-58.30000110P607 L608 D609P607-T633 HydrophobicContact CB-CG2 3.51Å; L608-T633 WeakPolarHBondContact O-CA 3.33Å; D609-T633 WeakPolarHBondContact OD1-CB 3.27Å; D609-T633 WeakPolarHBondContact OD1-CG2 3.2Å; D609-T633 PolarHBondContact OD1-OG1 3.44Å
634V97.9Very high95.9Very high5 Ų564.8 Ų64.83%0.0337%0.367CS..BIsolated β-bridgetrans-105.8113.8177.5-177.70000108.8N602 P607 L608 C611 L630 E638 A640N602-V634 HydrophobicContact CB-CG1 4.03Å; N602-V634 PolarHBondContact ND2-O 3.02Å; P607-V634 WeakPolarHBondContact CA-O 3.24Å; L608-V634 HydrophobicContact CB-CB 4.4Å; L608-V634 PolarHBondContact N-O 2.91Å; L608-V634 PolarHBondContact O-N 2.91Å; C611-V634 HydrophobicContact CB-CG2 4.49Å; L630-V634 HydrophobicContact CD2-CG2 3.88Å; V634-E638 HydrophobicContact CG1-CB 3.97Å; V634-A640 HydrophobicContact CG1-CB 4.36Å; V634-A640 HydrophobicContact CG2-CB 3.96Å
635G98Very high96.4Very high13 Ų1366 Ų6613%0.13437%0.365CS..  trans-70.9167.9-177.800000113.9N602 G637 E638N602-G635 WeakPolarHBondContact CB-O 3.32Å; N602-G635 VanDerWaalsContact ND2-C 3.34Å; N602-G635 PolarHBondContact ND2-O 3.45Å; G635-G637 PolarHBondContact O-N 2.99Å; G635-E638 WeakPolarHBondContact CA-OE2 3.39Å; G635-E638 PolarHBondContact N-OE2 3.12Å; G635-E638 WeakPolarHBondContact O-CB 3.41Å; G635-E638 PolarHBondContact O-N 3.12Å; G635-E638 VanDerWaalsContact O-N 3.15Å
636P97.3Very high96.6Very high72 Ų7263.8 Ų63.847%0.46835%0.354SS..THydrogen-bonded Turntrans-55.4126.4174.6-26.335.8000112.1L604 E638L604-P636 WeakPolarHBondContact O-CB 3.34Å; P636-E638 PolarHBondContact O-N 3.49Å
637G96.1Very high96.7Very high40 Ų4064.3 Ų64.341%0.41236%0.359SS..THydrogen-bonded Turntrans75.3-3.8-179.600000115.9Q601 N602 G635Q601-G637 WeakPolarHBondContact CG-O 3.35Å; Q601-G637 PolarHBondContact NE2-O 3.05Å; N602-G637 WeakPolarHBondContact O-CA 3.5Å; N602-G637 PolarHBondContact O-N 3.11Å; N602-G637 VanDerWaalsContact O-N 3.1Å; G635-G637 PolarHBondContact O-N 2.99Å
638E97.8Very high96.6Very high113 Ų11361.4 Ų61.453%0.52834%0.339SS..PPolyproline II helixtrans-78.2158.9174-62.7-173.4157.200111.9Q601 N602 V634 G635 P636Q601-E638 WeakPolarHBondContact CA-O 3.34Å; N602-E638 PolarHBondContact N-O 3.3Å; V634-E638 HydrophobicContact CG1-CB 3.97Å; G635-E638 WeakPolarHBondContact CA-OE2 3.39Å; G635-E638 PolarHBondContact N-OE2 3.12Å; G635-E638 WeakPolarHBondContact O-CB 3.41Å; G635-E638 PolarHBondContact O-N 3.12Å; G635-E638 VanDerWaalsContact O-N 3.15Å; P636-E638 PolarHBondContact O-N 3.49Å
639D97.1Very high96.4Very high73 Ų7359.1 Ų59.139%0.3933%0.332SS..EExtended strand (participates in β ladder)trans-94.6125.2176.6-69.7-42.3000111.6L600 K641L600-D639 CarbonylContact O-C 3.59Å; L600-D639 WeakPolarHBondContact O-CA 3.46Å; D639-K641 HydrophobicContact CB-CD 4.19Å; D639-K641 VanDerWaalsContact CB-CE 3.5Å; D639-K641 HydrophobicContact CB-CG 3.99Å; D639-K641 VanDerWaalsContact OD2-CE 3.32Å; D639-K641 WeakPolarHBondContact OD2-CE 3.29Å; D639-K641 IonicContact OD2-NZ 3.43Å; D639-K641 PolarHBondContact OD2-NZ 2.85Å
640A97.6Very high96.1Very high0 Ų053.5 Ų53.50%031%0.313CS..EExtended strand (participates in β ladder)trans-75.7126.4159.500000108.9S599 L600 F613 L630 V634 F660S599-A640 CarbonylContact C-O 3.59Å; S599-A640 WeakPolarHBondContact CA-O 3.34Å; L600-A640 PolarHBondContact N-O 3.36Å; L600-A640 PolarHBondContact O-N 2.93Å; F613-A640 HydrophobicContact CE2-CB 3.82Å; F613-A640 HydrophobicContact CZ-CB 4.1Å; L630-A640 HydrophobicContact CD2-CB 3.7Å; V634-A640 HydrophobicContact CG1-CB 4.36Å; V634-A640 HydrophobicContact CG2-CB 3.96Å; A640-F660 HydrophobicContact CB-CE2 3.89Å; A640-F660 HydrophobicContact CB-CZ 4.44Å
641K97.3Very high96Very high126 Ų12653.7 Ų53.755%0.54832%0.317SS..EExtended strand (participates in β ladder)trans-136.9135.8-177.3-64.6-175.3170.3134.40112.4I598 D639I598-K641 WeakPolarHBondContact O-CA 3.47Å; D639-K641 HydrophobicContact CB-CD 4.19Å; D639-K641 VanDerWaalsContact CB-CE 3.5Å; D639-K641 HydrophobicContact CB-CG 3.99Å; D639-K641 VanDerWaalsContact OD2-CE 3.32Å; D639-K641 WeakPolarHBondContact OD2-CE 3.29Å; D639-K641 IonicContact OD2-NZ 3.43Å; D639-K641 PolarHBondContact OD2-NZ 2.85Å
642V97.8Very high96.2Very high19 Ų1950.7 Ų50.712%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-139.3164.7172.7-620000112E597 I598 F613 E628 L630 I644E597-V642 WeakPolarHBondContact CA-O 3.36Å; I598-V642 HydrophobicContact CB-CG2 3.93Å; I598-V642 HydrophobicContact CD1-CG2 4.4Å; I598-V642 PolarHBondContact N-O 2.9Å; I598-V642 PolarHBondContact O-N 2.85Å; F613-V642 HydrophobicContact CB-CG2 3.65Å; F613-V642 HydrophobicContact CD2-CB 4.23Å; F613-V642 HydrophobicContact CD2-CG1 3.73Å; F613-V642 HydrophobicContact CD2-CG2 3.51Å; F613-V642 HydrophobicContact CE2-CG1 4.41Å; F613-V642 HydrophobicContact CE2-CG2 4.31Å; F613-V642 HydrophobicContact CG-CG2 3.74Å; E628-V642 HydrophobicContact CB-CB 4.32Å; E628-V642 HydrophobicContact CB-CG1 4.23Å; E628-V642 HydrophobicContact CG-CB 4.01Å; E628-V642 HydrophobicContact CG-CG1 3.82Å; L630-V642 HydrophobicContact CD1-CG1 3.48Å; L630-V642 VanDerWaalsContact CD1-CG1 3.48Å; L630-V642 HydrophobicContact CG-CG1 4.1Å; V642-I644 HydrophobicContact CG2-CD1 4.13Å; V642-I644 HydrophobicContact CG2-CG1 3.98Å
643K97.8Very high96.2Very high81 Ų8151.6 Ų51.635%0.35229%0.285SS..EExtended strand (participates in β ladder)trans-125.4114.6168.2178.1170.3-74.41750109.2A595 A596 E597 Y645A595-K643 HydrophobicContact CB-CD 4.16Å; A595-K643 HydrophobicContact CB-CG 3.98Å; A596-K643 WeakPolarHBondContact O-CA 3.46Å; E597-K643 VanDerWaalsContact CD-CE 3.45Å; E597-K643 HydrophobicContact CG-CB 4.34Å; E597-K643 HydrophobicContact CG-CD 4.44Å; E597-K643 HydrophobicContact CG-CG 4.31Å; E597-K643 WeakPolarHBondContact OE1-CE 3.44Å; E597-K643 IonicContact OE1-NZ 2.96Å; E597-K643 PolarHBondContact OE1-NZ 3.23Å; K643-Y645 HydrophobicContact CD-CE2 4.27Å; K643-Y645 HydrophobicContact CG-CE2 4.1Å
644I98.1Very high96.1Very high5 Ų550 Ų503%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-111.7133.4-179.5-54.4-177000109.5A595 A596 I598 F613 I615 I626 E628 V642A595-I644 CarbonylContact C-O 3.54Å; A595-I644 WeakPolarHBondContact CA-O 3.25Å; A596-I644 PolarHBondContact N-O 3Å; A596-I644 PolarHBondContact O-N 3.03Å; I598-I644 HydrophobicContact CD1-CD1 4.01Å; I598-I644 HydrophobicContact CD1-CG1 4.36Å; F613-I644 HydrophobicContact CB-CD1 4.25Å; I615-I644 HydrophobicContact CD1-CB 3.91Å; I615-I644 HydrophobicContact CD1-CG2 3.42Å; I615-I644 VanDerWaalsContact CD1-CG2 3.42Å; I615-I644 HydrophobicContact CG1-CG2 3.9Å; I615-I644 HydrophobicContact CG2-CD1 4.24Å; I626-I644 HydrophobicContact CB-CG2 4.02Å; I626-I644 HydrophobicContact CG2-CG2 3.41Å; I626-I644 VanDerWaalsContact CG2-CG2 3.41Å; E628-I644 HydrophobicContact CB-CD1 3.83Å; E628-I644 HydrophobicContact CB-CG1 3.82Å; V642-I644 HydrophobicContact CG2-CD1 4.13Å; V642-I644 HydrophobicContact CG2-CG1 3.98Å
645Y97.6Very high96Very high124 Ų12449.8 Ų49.849%0.48627%0.269SS..EExtended strand (participates in β ladder)trans-98.5140.9179.1-64.8-91.4000111.6K593 L594 A595 K643K593-Y645 HydrophobicContact CD-CD1 4.37Å; K593-Y645 VanDerWaalsContact CE-CB 3.45Å; K593-Y645 HydrophobicContact CG-CD1 4.33Å; L594-Y645 VanDerWaalsContact O-CA 3.29Å; L594-Y645 WeakPolarHBondContact O-CA 3.39Å; A595-Y645 HydrophobicContact CB-CD1 3.69Å; A595-Y645 HydrophobicContact CB-CE1 3.66Å; A595-Y645 HydrophobicContact CB-CG 4.39Å; K643-Y645 HydrophobicContact CD-CE2 4.27Å; K643-Y645 HydrophobicContact CG-CE2 4.1Å
646F97.3Very high96Very high5 Ų549.2 Ų49.22%0.02226%0.263CS..EExtended strand (participates in β ladder)trans-147.1165.7177.564.8-82.1000110.4I584 L594 A596 I615 L620 T621 I626 L656I584-F646 HydrophobicContact CD1-CE1 4.36Å; I584-F646 HydrophobicContact CD1-CZ 4.17Å; L594-F646 HydrophobicContact CB-CD1 4.39Å; L594-F646 HydrophobicContact CB-CD2 4.44Å; L594-F646 HydrophobicContact CB-CE1 3.91Å; L594-F646 HydrophobicContact CB-CE2 4Å; L594-F646 HydrophobicContact CB-CZ 3.71Å; L594-F646 HydrophobicContact CD1-CE2 3.75Å; L594-F646 HydrophobicContact CD1-CZ 3.85Å; L594-F646 HydrophobicContact CG-CE2 4.47Å; L594-F646 HydrophobicContact CG-CZ 4.44Å; L594-F646 PolarHBondContact N-O 3.25Å; L594-F646 PolarHBondContact O-N 2.79Å; A596-F646 HydrophobicContact CB-CD1 4.47Å; A596-F646 HydrophobicContact CB-CE1 3.93Å; I615-F646 HydrophobicContact CD1-CB 4.35Å; I615-F646 HydrophobicContact CD1-CD1 4.02Å; I615-F646 HydrophobicContact CD1-CG 4.43Å; L620-F646 HydrophobicContact CB-CD2 4.23Å; L620-F646 HydrophobicContact CB-CE2 4.41Å; L620-F646 HydrophobicContact CD2-CE2 4.31Å; L620-F646 WeakPolarHBondContact O-CD2 3.43Å; T621-F646 HydrophobicContact CG2-CB 4.24Å; I626-F646 HydrophobicContact CD1-CB 3.99Å; F646-L656 HydrophobicContact CE1-CD2 4.19Å; F646-L656 HydrophobicContact CZ-CD2 4.33Å
647T96.9Very high95.9Very high61 Ų6145.8 Ų45.837%0.37424%0.241SC..  trans-133.3109.5-178.9-54.70000109.3L620L620-T647 CarbonylContact O-C 3.57Å; L620-T647 VanDerWaalsContact O-C 3.27Å; L620-T647 PolarHBondContact O-N 3.02Å
648P95.8Very high96Very high0 Ų043.9 Ų43.90%022%0.221CC..  trans-68.2141.7177.632.1-35.9000110.8K589 N591 R592 L594 N619 L620 I676K589-P648 VanDerWaalsContact O-CG 3.31Å; K589-P648 WeakPolarHBondContact O-CG 3.18Å; N591-P648 WeakPolarHBondContact CA-O 3.49Å; N591-P648 PolarHBondContact N-O 2.87Å; R592-P648 VanDerWaalsContact O-CD 3.25Å; R592-P648 WeakPolarHBondContact O-CD 3.25Å; L594-P648 HydrophobicContact CD1-CG 4.04Å; N619-P648 CarbonylContact O-C 3.57Å; N619-P648 VanDerWaalsContact O-CA 3.24Å; N619-P648 WeakPolarHBondContact O-CA 3.41Å; L620-P648 HydrophobicContact CD2-CB 3.82Å; P648-I676 HydrophobicContact CB-CD1 3.9Å; P648-I676 HydrophobicContact CB-CG1 3.95Å; P648-I676 HydrophobicContact CB-CG2 4Å; P648-I676 HydrophobicContact CG-CD1 4.01Å; P648-I676 HydrophobicContact CG-CG1 4.45Å; P648-I676 HydrophobicContact CG-CG2 4.04Å
649T92.3Very high95.9Very high48 Ų4838.5 Ų38.529%0.29420%0.196SC..  trans-106.2-13.6-177.556.80000113.4E590 N619E590-T649 WeakPolarHBondContact CG-O 3.28Å; N619-T649 WeakPolarHBondContact CA-OG1 3.42Å; N619-T649 PolarHBondContact O-N 2.68Å; N619-T649 PolarHBondContact O-OG1 3.06Å
650H90.9Very high95.9Very high61 Ų6135 Ų3528%0.28218%0.177SC..SBendtrans-141.2142.9179.2-66.178.5000112.4N619 R654N619-H650 HydrophobicContact CB-CB 3.89Å; N619-H650 PolarHBondContact OD1-CE1 2.93Å; N619-H650 PolarHBondContact OD1-ND1 2.83Å; H650-R654 VanDerWaalsContact CB-NH2 3.29Å
651S93.3Very high95.8Very high33 Ų3336.4 Ų36.423%0.23119%0.185CC..  trans-71.6157.9172.752.20000114.6E590 R654 I676E590-S651 WeakPolarHBondContact OE2-CB 3.47Å; E590-S651 PolarHBondContact OE2-N 3.04Å; E590-S651 PolarHBondContact OE2-OG 3.47Å; S651-R654 VanDerWaalsContact O-CZ 3.26Å; S651-R654 PolarHBondContact O-NH1 3.28Å; S651-R654 PolarHBondContact O-NH2 3.31Å; S651-I676 CarbonylContact C-O 3.53Å; S651-I676 WeakPolarHBondContact CA-O 3.36Å; S651-I676 WeakPolarHBondContact CB-O 3.47Å
652G93.2Very high95.6Very high29 Ų2931 Ų3130%0.29916%0.162SC..EExtended strand (participates in β ladder)trans112.4-175.5-179.700000113.9I676G652-I676 PolarHBondContact N-O 3.06Å; G652-I676 PolarHBondContact O-N 3.2Å
653L94.3Very high95.4Very high103 Ų10333.3 Ų33.354%0.53918%0.175SC..EExtended strand (participates in β ladder)trans-70.5130.2174.8-178.965.5000109.9N673 I675L653-N673 HydrophobicContact CD1-CB 4.01Å; L653-I675 HydrophobicContact CD1-CG1 3.9Å
654R94Very high95.1Very high38 Ų3833 Ų3314%0.14317%0.173CC..EExtended strand (participates in β ladder)trans-138156.1177.7-61.2-64.1-178.5-85-2.1110.4N619 L620 H650 S651 N673 V674 I676N619-R654 PolarHBondContact ND2-NE 2.9Å; L620-R654 HydrophobicContact CD1-CB 3.83Å; L620-R654 HydrophobicContact CD2-CB 3.78Å; L620-R654 HydrophobicContact CD2-CG 4.03Å; L620-R654 HydrophobicContact CG-CB 3.82Å; L620-R654 HydrophobicContact CG-CG 4.33Å; H650-R654 VanDerWaalsContact CB-NH2 3.29Å; S651-R654 VanDerWaalsContact O-CZ 3.26Å; S651-R654 PolarHBondContact O-NH1 3.28Å; S651-R654 PolarHBondContact O-NH2 3.31Å; R654-N673 CarbonylContact O-C 3.47Å; R654-N673 WeakPolarHBondContact O-CA 3.45Å; R654-V674 PolarHBondContact N-O 2.9Å; R654-V674 PolarHBondContact O-N 2.64Å; R654-I676 HydrophobicContact CG-CG1 4.33Å
655K95.8Very high94.8Very high2 Ų232.8 Ų32.81%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-110.3124.6175.1-164.7178.7-62-64.80111.1D156 P171 D424 Y671 N673D156-K655 HydrophobicContact CB-CB 3.67Å; D156-K655 HydrophobicContact CB-CD 4.3Å; D156-K655 WeakPolarHBondContact OD2-CB 3.27Å; D156-K655 PolarHBondContact OD2-N 3.3Å; P171-K655 HydrophobicContact CB-CD 4.16Å; D424-K655 IonicContact OD1-NZ 2.79Å; D424-K655 PolarHBondContact OD1-NZ 3.11Å; D424-K655 IonicContact OD2-NZ 3.86Å; D424-K655 PolarHBondContact OD2-NZ 3.35Å; K655-Y671 HydrophobicContact CD-CD2 3.78Å; K655-Y671 HydrophobicContact CD-CE2 4.45Å; K655-Y671 HydrophobicContact CD-CG 4.02Å; K655-Y671 HydrophobicContact CG-CD2 3.77Å; K655-Y671 HydrophobicContact CG-CG 4.17Å; K655-N673 PolarHBondContact NZ-OD1 3.36Å
656L96.9Very high94.3Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-91.2108.6168.1-170.369.1000108.5V582 I584 A596 I615 L620 T621 F646 V658 Y671 R672 V674V582-L656 HydrophobicContact CG1-CD2 4.49Å; I584-L656 HydrophobicContact CD1-CD2 4.08Å; A596-L656 HydrophobicContact CB-CD2 3.95Å; I615-L656 HydrophobicContact CB-CD1 4.08Å; I615-L656 HydrophobicContact CB-CG 4.38Å; I615-L656 HydrophobicContact CD1-CD1 4.22Å; I615-L656 HydrophobicContact CG2-CD2 4.5Å; L620-L656 HydrophobicContact CB-CD1 4.44Å; L620-L656 HydrophobicContact CD1-CB 3.9Å; L620-L656 HydrophobicContact CD1-CD1 4Å; T621-L656 HydrophobicContact CG2-CD1 4.3Å; F646-L656 HydrophobicContact CE1-CD2 4.19Å; F646-L656 HydrophobicContact CZ-CD2 4.33Å; L656-V658 HydrophobicContact CG-CG2 4.49Å; L656-Y671 CarbonylContact O-C 3.53Å; L656-Y671 WeakPolarHBondContact O-CA 3.49Å; L656-Y671 WeakPolarHBondContact O-CB 3.28Å; L656-R672 PolarHBondContact N-O 3.1Å; L656-R672 PolarHBondContact O-N 2.88Å; L656-V674 HydrophobicContact CB-CG2 4.44Å
657V96.9Very high93.9Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-80.8134.2173.9-1750000108.6P171 R247 I615 E616P171-V657 HydrophobicContact CB-CG1 4.23Å; P171-V657 HydrophobicContact CB-CG2 4.15Å; P171-V657 HydrophobicContact CG-CG1 4Å; R247-V657 HydrophobicContact CB-CG1 3.94Å; I615-V657 VanDerWaalsContact CA-O 3.28Å; I615-V657 WeakPolarHBondContact CA-O 3.35Å; E616-V657 PolarHBondContact N-O 2.94Å; E616-V657 WeakPolarHBondContact O-CB 3.41Å; E616-V657 PolarHBondContact O-N 3.43Å
658V96.8Very high93.8Very high0 Ų026.5 Ų26.50%015%0.146CC..EExtended strand (participates in β ladder)trans-126136.9-179.4-171.70000109.3I580 V582 I598 F613 S614 I615 L656 G670I580-V658 HydrophobicContact CD1-CG1 4.27Å; I580-V658 HydrophobicContact CG2-CB 4.38Å; I580-V658 HydrophobicContact CG2-CG1 3.87Å; V582-V658 HydrophobicContact CG2-CG2 3.78Å; I598-V658 HydrophobicContact CD1-CG1 4.02Å; I598-V658 HydrophobicContact CG2-CG1 3.78Å; F613-V658 HydrophobicContact CD1-CG1 4.35Å; S614-V658 WeakPolarHBondContact O-CA 3.29Å; I615-V658 HydrophobicContact CG2-CB 4.47Å; I615-V658 HydrophobicContact CG2-CG1 4.22Å; I615-V658 HydrophobicContact CG2-CG2 3.97Å; L656-V658 HydrophobicContact CG-CG2 4.49Å; V658-G670 PolarHBondContact N-O 3.23Å; V658-G670 PolarHBondContact O-N 2.94Å; V658-G670 VanDerWaalsContact O-O 3.05Å
659D95.9Very high93.7Very high0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-128.9142.1176.4179.6-89.2000110.2F613 S614 D661 V668 K669F613-D659 CarbonylContact C-O 3.56Å; F613-D659 WeakPolarHBondContact CA-O 3.39Å; S614-D659 PolarHBondContact N-O 2.89Å; S614-D659 PolarHBondContact O-N 2.99Å; D659-D661 VanDerWaalsContact OD1-OD2 3.12Å; D659-V668 WeakPolarHBondContact CA-O 3.36Å; D659-K669 HydrophobicContact CB-CD 4.44Å; D659-K669 VanDerWaalsContact OD2-CD 3.26Å; D659-K669 WeakPolarHBondContact OD2-CD 3.21Å; D659-K669 VanDerWaalsContact OD2-CE 3.26Å; D659-K669 WeakPolarHBondContact OD2-CE 3.39Å; D659-K669 IonicContact OD2-NZ 3.31Å; D659-K669 PolarHBondContact OD2-NZ 2.79Å
660F96.8Very high93.9Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-125130.5172.6173-87.4000110.9I580 L600 L608 C611 C612 F613 A640 L665 H667 V668I580-F660 HydrophobicContact CD1-CB 3.93Å; L600-F660 HydrophobicContact CD1-CB 4.12Å; L600-F660 HydrophobicContact CD1-CD1 3.9Å; L600-F660 HydrophobicContact CD1-CE1 4.5Å; L600-F660 HydrophobicContact CD1-CG 3.95Å; L600-F660 HydrophobicContact CD2-CD1 4.32Å; L600-F660 HydrophobicContact CD2-CE1 4.1Å; L600-F660 HydrophobicContact CD2-CZ 4.23Å; L608-F660 HydrophobicContact CD1-CE1 4.19Å; L608-F660 HydrophobicContact CD1-CZ 4.11Å; C611-F660 HydrophobicContact CB-CE2 3.85Å; C611-F660 HydrophobicContact CB-CZ 3.99Å; C612-F660 WeakPolarHBondContact O-CA 3.38Å; F613-F660 HydrophobicContact CD1-CB 3.89Å; F613-F660 AromaticContact CD1-CD2 3.8Å; F613-F660 HydrophobicContact CD1-CD2 3.8Å; F613-F660 HydrophobicContact CD1-CG 4.34Å; F613-F660 AromaticContact CD2-CD2 3.99Å; F613-F660 HydrophobicContact CD2-CD2 3.99Å; F613-F660 HydrophobicContact CD2-CE2 4.45Å; F613-F660 HydrophobicContact CE1-CB 3.78Å; F613-F660 AromaticContact CE1-CD2 3.47Å; F613-F660 HydrophobicContact CE1-CD2 3.47Å; F613-F660 VanDerWaalsContact CE1-CD2 3.47Å; F613-F660 HydrophobicContact CE1-CE2 4.42Å; F613-F660 HydrophobicContact CE1-CG 4.01Å; F613-F660 AromaticContact CE2-CD2 3.69Å; F613-F660 HydrophobicContact CE2-CD2 3.69Å; F613-F660 AromaticContact CE2-CE2 3.96Å; F613-F660 HydrophobicContact CE2-CE2 3.96Å; F613-F660 HydrophobicContact CG-CD2 4.07Å; F613-F660 AromaticContact CZ-CD2 3.42Å; F613-F660 HydrophobicContact CZ-CD2 3.42Å; F613-F660 VanDerWaalsContact CZ-CD2 3.42Å; F613-F660 AromaticContact CZ-CE2 3.95Å; F613-F660 HydrophobicContact CZ-CE2 3.95Å; F613-F660 HydrophobicContact CZ-CG 4.32Å; A640-F660 HydrophobicContact CB-CE2 3.89Å; A640-F660 HydrophobicContact CB-CZ 4.44Å; F660-L665 HydrophobicContact CD1-CD2 4.39Å; F660-L665 HydrophobicContact CE1-CB 4.43Å; F660-L665 HydrophobicContact CE1-CD2 4.02Å; F660-L665 HydrophobicContact CE1-CG 4.33Å; F660-H667 PolarHBondContact O-N 2.82Å; F660-V668 HydrophobicContact CB-CB 4.23Å; F660-V668 HydrophobicContact CD1-CB 4.43Å; F660-V668 HydrophobicContact CD1-CG2 4.31Å; F660-V668 PolarHBondContact N-O 2.66Å; F660-V668 PolarHBondContact O-N 3.33Å
661D95.3Very high94.1Very high29 Ų2927.3 Ų27.316%0.15515%0.146CC..EExtended strand (participates in β ladder)trans-127.4148.6176.5-76.3-47.6000111.3C611 C612 D659 L665 C666 H667C611-D661 CarbonylContact C-O 3.56Å; C611-D661 WeakPolarHBondContact CA-O 3.34Å; C612-D661 PolarHBondContact N-O 3.49Å; C612-D661 PolarHBondContact O-N 2.87Å; D659-D661 VanDerWaalsContact OD1-OD2 3.12Å; D661-L665 CarbonylContact C-O 3.51Å; D661-C666 WeakPolarHBondContact OD1-CA 3.49Å; D661-H667 IonicContact OD1-CE1 3.76Å; D661-H667 PolarHBondContact OD1-CE1 3.34Å; D661-H667 IonicContact OD1-CG 2.75Å; D661-H667 PolarHBondContact OD1-N 3.27Å; D661-H667 IonicContact OD1-ND1 3.95Å; D661-H667 PolarHBondContact OD1-ND1 2.72Å; D661-H667 IonicContact OD2-ND1 3.94Å
662S94.9Very high94.3Very high12 Ų1232.1 Ų32.18%0.08416%0.159CC..  trans-152.6-176.2172.666.60000109.6D609 K664 L665 C666D609-S662 WeakPolarHBondContact O-CB 3.44Å; S662-K664 VanDerWaalsContact C-N 3.31Å; S662-K664 PolarHBondContact O-N 2.92Å; S662-K664 PolarHBondContact OG-N 2.83Å; S662-L665 PolarHBondContact N-O 3.35Å; S662-L665 WeakPolarHBondContact OG-CA 3.44Å; S662-L665 WeakPolarHBondContact OG-CB 3.48Å; S662-L665 PolarHBondContact OG-N 2.8Å; S662-L665 PolarHBondContact OG-O 2.97Å; S662-C666 PolarHBondContact O-SG 3.39Å
663N92.1Very high94.5Very high69 Ų6933.7 Ų33.737%0.36916%0.161SC..SBendtrans-66.5-24.6175.564.2-24.6000115.2D609D609-N663 PolarHBondContact N-OD1 3.41Å; D609-N663 PolarHBondContact O-N 2.97Å; D609-N663 PolarHBondContact O-OD1 2.91Å; D609-N663 PolarHBondContact OD2-ND2 3.08Å; D609-N663 VanDerWaalsContact OD2-ND2 3.09Å
664K91.8Very high94.6Very high75 Ų7529.1 Ų29.133%0.32614%0.137SC..SBendtrans-127.5-17.8-173.7-65.6177.5-173.7173.60114.4L604 E606 L608 S662L604-K664 HydrophobicContact CD1-CB 3.83Å; E606-K664 HydrophobicContact CB-CD 4.44Å; E606-K664 IonicContact OE1-NZ 2.69Å; E606-K664 PolarHBondContact OE1-NZ 2.97Å; L608-K664 HydrophobicContact CD2-CB 3.97Å; S662-K664 VanDerWaalsContact C-N 3.31Å; S662-K664 PolarHBondContact O-N 2.92Å; S662-K664 PolarHBondContact OG-N 2.83Å
665L92.1Very high94.7Very high0 Ų033.3 Ų33.30%016%0.161CC..SBendtrans-127.999178.4-177.667.4000108.1K476 P578 L600 P603 L604 L608 F660 D661 S662 V668K476-L665 HydrophobicContact CD-CD1 3.98Å; P578-L665 HydrophobicContact CG-CD2 3.78Å; L600-L665 HydrophobicContact CD2-CD2 4.12Å; P603-L665 HydrophobicContact CG-CD2 4.14Å; L604-L665 HydrophobicContact CD1-CB 4.39Å; L608-L665 HydrophobicContact CD1-CB 4.26Å; L608-L665 HydrophobicContact CD1-CD2 4.12Å; L608-L665 HydrophobicContact CD2-CB 3.92Å; F660-L665 HydrophobicContact CD1-CD2 4.39Å; F660-L665 HydrophobicContact CE1-CB 4.43Å; F660-L665 HydrophobicContact CE1-CD2 4.02Å; F660-L665 HydrophobicContact CE1-CG 4.33Å; D661-L665 CarbonylContact C-O 3.51Å; S662-L665 PolarHBondContact N-O 3.35Å; S662-L665 WeakPolarHBondContact OG-CA 3.44Å; S662-L665 WeakPolarHBondContact OG-CB 3.48Å; S662-L665 PolarHBondContact OG-N 2.8Å; S662-L665 PolarHBondContact OG-O 2.97Å; L665-V668 HydrophobicContact CD1-CG2 3.77Å; L665-V668 HydrophobicContact CD2-CG2 3.97Å; L665-V668 HydrophobicContact CG-CG2 3.6Å
666C88Confident94.8Very high34 Ų3433.4 Ų33.423%0.2316%0.162CC..  trans-108.5155.5-176.9-50.50000111.2D661 S662 V668D661-C666 WeakPolarHBondContact OD1-CA 3.49Å; S662-C666 PolarHBondContact O-SG 3.39Å; C666-V668 VanDerWaalsContact C-N 3.25Å; C666-V668 PolarHBondContact O-N 2.81Å
667H87.9Confident94.7Very high23 Ų2334.9 Ų34.911%0.10618%0.177CC..  trans57.235.7167.2-49-37000113.9S242 L244 E548 F660 D661 K669S242-H667 WeakPolarHBondContact CB-NE2 3.39Å; L244-H667 HydrophobicContact CB-CB 3.91Å; L244-H667 WeakPolarHBondContact CB-CD2 3.26Å; E548-H667 IonicContact OE1-CD2 3.69Å; E548-H667 IonicContact OE1-NE2 3.46Å; E548-H667 IonicContact OE2-CD2 3.8Å; E548-H667 PolarHBondContact OE2-CD2 2.93Å; E548-H667 VanDerWaalsContact OE2-CD2 3.27Å; E548-H667 IonicContact OE2-NE2 3.74Å; E548-H667 PolarHBondContact OE2-NE2 3.5Å; F660-H667 PolarHBondContact O-N 2.82Å; D661-H667 IonicContact OD1-CE1 3.76Å; D661-H667 PolarHBondContact OD1-CE1 3.34Å; D661-H667 IonicContact OD1-CG 2.75Å; D661-H667 PolarHBondContact OD1-N 3.27Å; D661-H667 IonicContact OD1-ND1 3.95Å; D661-H667 PolarHBondContact OD1-ND1 2.72Å; D661-H667 IonicContact OD2-ND1 3.94Å; H667-K669 PolarHBondContact O-N 3.4Å
668V94.9Very high94.4Very high1 Ų145 Ų451%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-74.9116.8172.2-177.80000107.9N577 P578 I580 L600 D659 F660 L665 C666N577-V668 HydrophobicContact CB-CG1 3.97Å; N577-V668 HydrophobicContact CB-CG2 4.16Å; P578-V668 HydrophobicContact CG-CG1 4.42Å; P578-V668 WeakPolarHBondContact O-CG1 3.27Å; I580-V668 HydrophobicContact CD1-CB 4.36Å; I580-V668 HydrophobicContact CD1-CG1 3.93Å; I580-V668 VanDerWaalsContact CD1-O 3.25Å; I580-V668 WeakPolarHBondContact CD1-O 3.41Å; I580-V668 HydrophobicContact CG1-CG1 3.94Å; L600-V668 HydrophobicContact CD1-CB 4.1Å; L600-V668 HydrophobicContact CD1-CG1 3.68Å; L600-V668 HydrophobicContact CD1-CG2 4.37Å; D659-V668 WeakPolarHBondContact CA-O 3.36Å; F660-V668 HydrophobicContact CB-CB 4.23Å; F660-V668 HydrophobicContact CD1-CB 4.43Å; F660-V668 HydrophobicContact CD1-CG2 4.31Å; F660-V668 PolarHBondContact N-O 2.66Å; F660-V668 PolarHBondContact O-N 3.33Å; L665-V668 HydrophobicContact CD1-CG2 3.77Å; L665-V668 HydrophobicContact CD2-CG2 3.97Å; L665-V668 HydrophobicContact CG-CG2 3.6Å; C666-V668 VanDerWaalsContact C-N 3.25Å; C666-V668 PolarHBondContact O-N 2.81Å
669K94.2Very high94.3Very high40 Ų4047.3 Ų47.317%0.17423%0.232CC..EExtended strand (participates in β ladder)trans-98.6142.4-176.5-53-61.3-178.9-178.20111T170 P171 L244 F245 W246 D659 H667T170-K669 HydrophobicContact CG2-CB 4.49Å; T170-K669 HydrophobicContact CG2-CG 4.1Å; P171-K669 HydrophobicContact CG-CB 4.41Å; L244-K669 WeakPolarHBondContact O-CE 3.47Å; L244-K669 PolarHBondContact O-NZ 2.98Å; F245-K669 PolarHBondContact O-NZ 3.48Å; F245-K669 VanDerWaalsContact O-NZ 3.09Å; W246-K669 PolarHBondContact O-NZ 2.71Å; D659-K669 HydrophobicContact CB-CD 4.44Å; D659-K669 VanDerWaalsContact OD2-CD 3.26Å; D659-K669 WeakPolarHBondContact OD2-CD 3.21Å; D659-K669 VanDerWaalsContact OD2-CE 3.26Å; D659-K669 WeakPolarHBondContact OD2-CE 3.39Å; D659-K669 IonicContact OD2-NZ 3.31Å; D659-K669 PolarHBondContact OD2-NZ 2.79Å; H667-K669 PolarHBondContact O-N 3.4Å
670G95.2Very high94.2Very high10 Ų1049.8 Ų49.810%0.10324%0.244CC..EExtended strand (participates in β ladder)trans-146.6167.717000000110.2V658V658-G670 PolarHBondContact N-O 3.23Å; V658-G670 PolarHBondContact O-N 2.94Å; V658-G670 VanDerWaalsContact O-O 3.05Å
671Y96.8Very high94.1Very high76 Ų7652.6 Ų52.630%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-151.7163.7170.869.1-84.6000111.8P171 D424 K655 L656P171-Y671 HydrophobicContact CB-CD1 3.81Å; P171-Y671 HydrophobicContact CB-CG 3.99Å; P171-Y671 HydrophobicContact CG-CD1 3.9Å; P171-Y671 HydrophobicContact CG-CG 4.32Å; D424-Y671 VanDerWaalsContact OD2-CE2 3.28Å; D424-Y671 WeakPolarHBondContact OD2-CE2 3.29Å; K655-Y671 HydrophobicContact CD-CD2 3.78Å; K655-Y671 HydrophobicContact CD-CE2 4.45Å; K655-Y671 HydrophobicContact CD-CG 4.02Å; K655-Y671 HydrophobicContact CG-CD2 3.77Å; K655-Y671 HydrophobicContact CG-CG 4.17Å; L656-Y671 CarbonylContact O-C 3.53Å; L656-Y671 WeakPolarHBondContact O-CA 3.49Å; L656-Y671 WeakPolarHBondContact O-CB 3.28Å
672R96.9Very high94Very high133 Ų13353.9 Ų53.950%0.50226%0.264SS..EExtended strand (participates in β ladder)trans-138.1127.1171.1-173.865.9-178.9-169.3-1110.2V582 I584 L656 V674V582-R672 HydrophobicContact CB-CB 3.93Å; V582-R672 HydrophobicContact CB-CG 4.36Å; V582-R672 HydrophobicContact CG1-CB 3.77Å; V582-R672 HydrophobicContact CG1-CG 4.18Å; V582-R672 HydrophobicContact CG2-CB 4.5Å; I584-R672 HydrophobicContact CG1-CG 4.33Å; L656-R672 PolarHBondContact N-O 3.1Å; L656-R672 PolarHBondContact O-N 2.88Å; R672-V674 HydrophobicContact CG-CG2 4.36Å
673N96.8Very high94Very high62 Ų6256.6 Ų56.633%0.33228%0.275SS..EExtended strand (participates in β ladder)trans-74.5133.4167.1-68.2-26.3000109.9D424 L653 R654 K655D424-N673 PolarHBondContact OD2-ND2 2.82Å; D424-N673 PolarHBondContact OD2-OD1 3.44Å; L653-N673 HydrophobicContact CD1-CB 4.01Å; R654-N673 CarbonylContact O-C 3.47Å; R654-N673 WeakPolarHBondContact O-CA 3.45Å; K655-N673 PolarHBondContact NZ-OD1 3.36Å
674V96.1Very high94.1Very high7 Ų755.7 Ų55.74%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-129.5129-179.8-165.70000108.1I584 P588 R654 L656 R672 I676I584-V674 HydrophobicContact CD1-CG2 4.08Å; I584-V674 HydrophobicContact CG1-CG1 4.42Å; I584-V674 HydrophobicContact CG1-CG2 3.88Å; I584-V674 HydrophobicContact CG2-CG1 4.49Å; P588-V674 HydrophobicContact CB-CG1 4.12Å; P588-V674 HydrophobicContact CG-CG1 4.34Å; R654-V674 PolarHBondContact N-O 2.9Å; R654-V674 PolarHBondContact O-N 2.64Å; L656-V674 HydrophobicContact CB-CG2 4.44Å; R672-V674 HydrophobicContact CG-CG2 4.36Å; V674-I676 HydrophobicContact CB-CD1 4.33Å; V674-I676 HydrophobicContact CG1-CD1 3.64Å
675I96.7Very high94.3Very high127 Ų12754.4 Ų54.465%0.65127%0.265SS*.EExtended strand (participates in β ladder)trans-97115.2174.1-60.4173.2000107.3P588 L653P588-I675 WeakPolarHBondContact CB-O 3.15Å; L653-I675 HydrophobicContact CD1-CG1 3.9Å
676I97.6Very high94.4Very high4 Ų458.5 Ų58.52%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-93.3121.8179.2-52.7-55000109.1P588 E590 L594 L620 P648 S651 G652 R654 V674P588-I676 HydrophobicContact CB-CD1 3.82Å; E590-I676 HydrophobicContact CB-CG2 4.48Å; L594-I676 HydrophobicContact CD1-CD1 4.17Å; L620-I676 HydrophobicContact CD2-CD1 4Å; L620-I676 HydrophobicContact CD2-CG1 3.96Å; P648-I676 HydrophobicContact CB-CD1 3.9Å; P648-I676 HydrophobicContact CB-CG1 3.95Å; P648-I676 HydrophobicContact CB-CG2 4Å; P648-I676 HydrophobicContact CG-CD1 4.01Å; P648-I676 HydrophobicContact CG-CG1 4.45Å; P648-I676 HydrophobicContact CG-CG2 4.04Å; S651-I676 CarbonylContact C-O 3.53Å; S651-I676 WeakPolarHBondContact CA-O 3.36Å; S651-I676 WeakPolarHBondContact CB-O 3.47Å; G652-I676 PolarHBondContact N-O 3.06Å; G652-I676 PolarHBondContact O-N 3.2Å; R654-I676 HydrophobicContact CG-CG1 4.33Å; V674-I676 HydrophobicContact CB-CD1 4.33Å; V674-I676 HydrophobicContact CG1-CD1 3.64Å
677G95.9Very high95Very high30 Ų3060.6 Ų60.631%0.30929%0.29SS..BIsolated β-bridgetrans-75.4161.5171.500000112.4P588 K589 E590P588-G677 PolarHBondContact O-N 3.33Å; K589-G677 CarbonylContact C-O 3.57Å; K589-G677 WeakPolarHBondContact CA-O 3.05Å; E590-G677 PolarHBondContact N-O 3.17Å
678K90.5Very high95.6Very high214 Ų21464 Ų6493%0.9331%0.306SS*.  trans-70.40170.1-69.3-172.5178-172.20112

Retrieved 678 of 678 residues in 618.7 ms (Link to these results)

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