A0A093HMI7_STRCA Loading...

Leukocyte elastase inhibitor

Regulates the activity of the neutrophil proteases.

AlphaFold DB , UniProt , Accession A0A093HMI7, Species STRCA (Struthio camelus australis), Gene n/a, Length 379 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
1M63.1Low86.9Confident125 Ų12540.1 Ų40.162%0.61623%0.233SC*.  0-35.10-69.5-171.2-158.900111.2S3 L4 N5 T367M1-S3 PolarHBondContact O-N 2.91Å; M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 2.77Å; M1-N5 PolarHBondContact O-N 3.03Å; M1-N5 VanDerWaalsContact O-N 3.08Å; M1-N5 PolarHBondContact O-ND2 3.17Å; M1-T367 HydrophobicContact SD-CG2 4.35Å
2D72.5Confident87.6Confident128 Ų12836.8 Ų36.868%0.68422%0.215SC*.Hα-helixtrans-53.5-43-175.1-48.6-15.9000114.8L4 N5 A6D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 2.87Å; D2-N5 PolarHBondContact O-N 2.87Å; D2-A6 WeakPolarHBondContact O-CB 3.32Å; D2-A6 PolarHBondContact O-N 3.1Å
3S82.6Confident88.3Confident83 Ų8334.2 Ų34.258%0.5820%0.199SC*.Hα-helixtrans-59.4-40175.1-177.40000112.8M1 A7M1-S3 PolarHBondContact O-N 2.91Å; S3-A7 WeakPolarHBondContact O-CB 3.49Å; S3-A7 PolarHBondContact O-N 2.85Å
4L87.9Confident88.8Confident14 Ų1434.2 Ų34.27%0.07320%0.202CC..Hα-helixtrans-70-39.9178179.262000111.3M1 D2 A6 A7 N8 L60 A66 Y70M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 2.77Å; D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 2.87Å; L4-A6 VanDerWaalsContact C-N 3.34Å; L4-A7 PolarHBondContact O-N 2.91Å; L4-N8 WeakPolarHBondContact O-CB 3.31Å; L4-N8 PolarHBondContact O-N 3.36Å; L4-L60 HydrophobicContact CD1-CD2 3.99Å; L4-A66 HydrophobicContact CD1-CB 4.47Å; L4-Y70 HydrophobicContact CD1-CD2 4.16Å; L4-Y70 HydrophobicContact CD1-CE1 4.4Å; L4-Y70 HydrophobicContact CD1-CE2 3.55Å; L4-Y70 HydrophobicContact CD2-CD1 4.3Å; L4-Y70 HydrophobicContact CD2-CD2 4.19Å; L4-Y70 HydrophobicContact CD2-CE1 4.42Å; L4-Y70 HydrophobicContact CD2-CE2 4.32Å; L4-Y70 HydrophobicContact CD2-CG 4.16Å
5N87.3Confident89.3Confident11 Ų1132 Ų326%0.05919%0.189CC..Hα-helixtrans-64.3-41177.2-67.1-31.7000111.8M1 D2 T9 T367 S369M1-N5 PolarHBondContact O-N 3.03Å; M1-N5 VanDerWaalsContact O-N 3.08Å; M1-N5 PolarHBondContact O-ND2 3.17Å; D2-N5 PolarHBondContact O-N 2.87Å; N5-T9 WeakPolarHBondContact O-CB 3.38Å; N5-T9 PolarHBondContact O-N 2.91Å; N5-T9 PolarHBondContact O-OG1 3.36Å; N5-T367 PolarHBondContact ND2-O 3.35Å; N5-S369 PolarHBondContact OD1-OG 3.37Å
6A90.6Very high89.7Confident23 Ų2330.1 Ų30.119%0.1918%0.177CC..Hα-helixtrans-62-46.3173.900000111.5D2 L4 T9 T10 Y252D2-A6 WeakPolarHBondContact O-CB 3.32Å; D2-A6 PolarHBondContact O-N 3.1Å; L4-A6 VanDerWaalsContact C-N 3.34Å; A6-T9 PolarHBondContact O-N 3.17Å; A6-T10 VanDerWaalsContact O-CB 3.31Å; A6-T10 WeakPolarHBondContact O-CB 3.47Å; A6-T10 PolarHBondContact O-N 2.76Å; A6-T10 PolarHBondContact O-OG1 2.82Å; A6-Y252 HydrophobicContact CB-CD1 4.39Å; A6-Y252 HydrophobicContact CB-CE1 3.82Å; A6-Y252 HydrophobicContact CB-CE2 3.93Å
7A92.9Very high89.9Confident7 Ų733 Ų336%0.05819%0.185CC..Hα-helixtrans-61.1-49.5176.200000112.1S3 L4 T9 T10 F11 S59 L60S3-A7 WeakPolarHBondContact O-CB 3.49Å; S3-A7 PolarHBondContact O-N 2.85Å; L4-A7 PolarHBondContact O-N 2.91Å; A7-T9 VanDerWaalsContact C-N 3.34Å; A7-T9 PolarHBondContact O-N 3.07Å; A7-T10 PolarHBondContact O-N 2.82Å; A7-F11 WeakPolarHBondContact O-CB 3.27Å; A7-F11 PolarHBondContact O-N 2.72Å; A7-S59 VanDerWaalsContact CB-O 3.28Å; A7-S59 WeakPolarHBondContact CB-O 3.19Å; A7-L60 HydrophobicContact CB-CD2 3.83Å
8N93.2Very high90.1Very high2 Ų233.9 Ų33.91%0.01119%0.186CC..Hα-helixtrans-60.1-42.2178.5179.765000112.1L4 F11 A12 P32 F33 S36 I370L4-N8 WeakPolarHBondContact O-CB 3.31Å; L4-N8 PolarHBondContact O-N 3.36Å; N8-F11 PolarHBondContact O-N 3.49Å; N8-A12 WeakPolarHBondContact O-CB 3.1Å; N8-A12 PolarHBondContact O-N 2.58Å; N8-P32 PolarHBondContact OD1-O 3.01Å; N8-F33 WeakPolarHBondContact OD1-CA 3.39Å; N8-F33 PolarHBondContact OD1-N 3.1Å; N8-S36 PolarHBondContact OD1-OG 3.45Å; N8-I370 PolarHBondContact ND2-O 3.14Å; N8-I370 VanDerWaalsContact ND2-O 3.08Å
9T94.1Very high90.3Very high1 Ų132.3 Ų32.31%0.00618%0.178CC..Hα-helixtrans-70.2-40.1177.8-53.80000111.3N5 A6 A7 F11 A12 L13 Y252 L255 M256 I370N5-T9 WeakPolarHBondContact O-CB 3.38Å; N5-T9 PolarHBondContact O-N 2.91Å; N5-T9 PolarHBondContact O-OG1 3.36Å; A6-T9 PolarHBondContact O-N 3.17Å; A7-T9 VanDerWaalsContact C-N 3.34Å; A7-T9 PolarHBondContact O-N 3.07Å; T9-F11 VanDerWaalsContact C-N 3.32Å; T9-F11 PolarHBondContact O-N 2.7Å; T9-A12 WeakPolarHBondContact O-CB 3.3Å; T9-A12 PolarHBondContact O-N 3.38Å; T9-A12 VanDerWaalsContact O-N 3.16Å; T9-L13 HydrophobicContact CG2-CD1 4.34Å; T9-L13 HydrophobicContact CG2-CG 4.41Å; T9-L13 WeakPolarHBondContact O-CG 3.37Å; T9-L13 PolarHBondContact O-N 2.89Å; T9-Y252 HydrophobicContact CG2-CD2 3.73Å; T9-Y252 HydrophobicContact CG2-CE2 4.42Å; T9-L255 HydrophobicContact CG2-CD2 3.87Å; T9-M256 HydrophobicContact CG2-CE 3.73Å; T9-I370 HydrophobicContact CG2-CG1 4.18Å
10T95.4Very high90.2Very high47 Ų4731.2 Ų31.229%0.28817%0.172SC..Hα-helixtrans-62.2-42.3176-57.90000111.3A6 A7 S14 S59A6-T10 VanDerWaalsContact O-CB 3.31Å; A6-T10 WeakPolarHBondContact O-CB 3.47Å; A6-T10 PolarHBondContact O-N 2.76Å; A6-T10 PolarHBondContact O-OG1 2.82Å; A7-T10 PolarHBondContact O-N 2.82Å; T10-S14 WeakPolarHBondContact O-CB 3.1Å; T10-S14 PolarHBondContact O-N 2.86Å; T10-S14 PolarHBondContact O-OG 2.86Å; T10-S59 WeakPolarHBondContact CG2-OG 3.41Å
11F95.9Very high90.1Very high0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-60.7-46.8171170.6-109.2000111.6A7 N8 T9 L13 S14 L15 P32 I35 L39 V57 L58 L288 M291A7-F11 WeakPolarHBondContact O-CB 3.27Å; A7-F11 PolarHBondContact O-N 2.72Å; N8-F11 PolarHBondContact O-N 3.49Å; T9-F11 VanDerWaalsContact C-N 3.32Å; T9-F11 PolarHBondContact O-N 2.7Å; F11-L13 VanDerWaalsContact C-N 3.33Å; F11-L13 PolarHBondContact O-N 3.2Å; F11-S14 PolarHBondContact O-N 3.17Å; F11-L15 HydrophobicContact CE1-CD2 4.14Å; F11-L15 HydrophobicContact CZ-CB 4.47Å; F11-L15 HydrophobicContact CZ-CD2 3.89Å; F11-L15 WeakPolarHBondContact O-CB 3.5Å; F11-L15 PolarHBondContact O-N 3.26Å; F11-P32 HydrophobicContact CD1-CB 4.38Å; F11-I35 HydrophobicContact CE1-CB 4.09Å; F11-I35 HydrophobicContact CE1-CG2 3.81Å; F11-I35 HydrophobicContact CZ-CB 4.41Å; F11-I35 HydrophobicContact CZ-CG2 3.64Å; F11-L39 HydrophobicContact CZ-CD1 4.32Å; F11-V57 HydrophobicContact CD2-CG1 4.34Å; F11-V57 WeakPolarHBondContact CD2-O 3.37Å; F11-V57 HydrophobicContact CE2-CG1 4.09Å; F11-L58 HydrophobicContact CD2-CD2 4.3Å; F11-L58 HydrophobicContact CE2-CD2 4.37Å; F11-L58 HydrophobicContact CG-CD2 4.37Å; F11-L288 HydrophobicContact CE2-CD2 4.25Å; F11-L288 HydrophobicContact CZ-CD2 4.47Å; F11-M291 HydrophobicContact CD2-CE 4.21Å; F11-M291 HydrophobicContact CE2-CE 4.06Å
12A96Very high90.8Very high1 Ų134.6 Ų34.61%0.00819%0.188CC..Hα-helixtrans-54.3-48.2178.100000112.3N8 T9 L15 L16 P32N8-A12 WeakPolarHBondContact O-CB 3.1Å; N8-A12 PolarHBondContact O-N 2.58Å; T9-A12 WeakPolarHBondContact O-CB 3.3Å; T9-A12 PolarHBondContact O-N 3.38Å; T9-A12 VanDerWaalsContact O-N 3.16Å; A12-L15 PolarHBondContact O-N 3.29Å; A12-L16 WeakPolarHBondContact O-CB 2.93Å; A12-L16 PolarHBondContact O-N 3.43Å; A12-P32 HydrophobicContact CB-CB 3.3Å; A12-P32 HydrophobicContact CB-CG 3.53Å
13L96Very high91.1Very high2 Ų231.5 Ų31.51%0.0117%0.172CC..Hα-helixtrans-69-37.5-179.5-64.8-178.8000112.2T9 F11 L16 R17 L250 T251 L255 F361T9-L13 HydrophobicContact CG2-CD1 4.34Å; T9-L13 HydrophobicContact CG2-CG 4.41Å; T9-L13 WeakPolarHBondContact O-CG 3.37Å; T9-L13 PolarHBondContact O-N 2.89Å; F11-L13 VanDerWaalsContact C-N 3.33Å; F11-L13 PolarHBondContact O-N 3.2Å; L13-L16 PolarHBondContact O-N 2.87Å; L13-R17 WeakPolarHBondContact O-CG 3.31Å; L13-R17 PolarHBondContact O-N 2.84Å; L13-L250 HydrophobicContact CD1-CG 4.16Å; L13-L250 HydrophobicContact CD2-CB 4.43Å; L13-L250 HydrophobicContact CD2-CD2 3.35Å; L13-L250 HydrophobicContact CD2-CG 3.7Å; L13-T251 WeakPolarHBondContact CD1-O 3.48Å; L13-L255 HydrophobicContact CD1-CB 4.49Å; L13-L255 HydrophobicContact CD1-CD2 4.43Å; L13-L255 HydrophobicContact CD2-CD2 4.21Å; L13-F361 HydrophobicContact CD2-CE1 4.34Å; L13-F361 HydrophobicContact CD2-CZ 4.47Å
14S95.8Very high91Very high35 Ų3530.5 Ų30.525%0.24517%0.165CC..Hα-helixtrans-66.8-40.7175.7-57.60000111.7T10 F11 K18T10-S14 WeakPolarHBondContact O-CB 3.1Å; T10-S14 PolarHBondContact O-N 2.86Å; T10-S14 PolarHBondContact O-OG 2.86Å; F11-S14 PolarHBondContact O-N 3.17Å; S14-K18 PolarHBondContact O-N 3.04Å; S14-K18 VanDerWaalsContact O-N 3.09Å
15L96.1Very high90.8Very high1 Ų134 Ų341%0.00519%0.187CC..Hα-helixtrans-67.4-43.4175.1179.957.9000111.5F11 A12 R17 K18 L19 F30 I35 L284 I287 M291F11-L15 HydrophobicContact CE1-CD2 4.14Å; F11-L15 HydrophobicContact CZ-CB 4.47Å; F11-L15 HydrophobicContact CZ-CD2 3.89Å; F11-L15 WeakPolarHBondContact O-CB 3.5Å; F11-L15 PolarHBondContact O-N 3.26Å; A12-L15 PolarHBondContact O-N 3.29Å; L15-R17 PolarHBondContact O-N 2.81Å; L15-K18 PolarHBondContact O-N 2.8Å; L15-K18 VanDerWaalsContact O-N 3.12Å; L15-L19 HydrophobicContact CD1-CD1 4.21Å; L15-L19 HydrophobicContact CD1-CG 4.14Å; L15-L19 HydrophobicContact CG-CD1 4.05Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 2.94Å; L15-F30 HydrophobicContact CB-CE2 4.17Å; L15-F30 HydrophobicContact CB-CZ 4.35Å; L15-F30 HydrophobicContact CD2-CD2 3.64Å; L15-F30 HydrophobicContact CD2-CE2 3.58Å; L15-F30 HydrophobicContact CD2-CG 4.43Å; L15-F30 HydrophobicContact CD2-CZ 4.34Å; L15-F30 HydrophobicContact CG-CD2 4.3Å; L15-F30 HydrophobicContact CG-CE2 3.9Å; L15-F30 HydrophobicContact CG-CZ 4.17Å; L15-I35 HydrophobicContact CD2-CD1 3.7Å; L15-L284 HydrophobicContact CD1-CD2 4.49Å; L15-I287 HydrophobicContact CD1-CG2 3.66Å; L15-M291 HydrophobicContact CB-CE 4.29Å; L15-M291 HydrophobicContact CD1-SD 4.05Å
16L95.3Very high91Very high1 Ų138.2 Ų38.21%0.00521%0.206CC..Hα-helixtrans-54.3-52.8174.3178.265.2000110.5A12 L13 K18 L19 C20 L28 F30 L359A12-L16 WeakPolarHBondContact O-CB 2.93Å; A12-L16 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 2.87Å; L16-K18 VanDerWaalsContact C-N 3.25Å; L16-K18 PolarHBondContact O-N 3.06Å; L16-L19 PolarHBondContact O-N 3.3Å; L16-L19 VanDerWaalsContact O-N 3.15Å; L16-C20 PolarHBondContact O-N 3.07Å; L16-C20 PolarHBondContact O-SG 2.95Å; L16-L28 HydrophobicContact CD1-CD1 4.09Å; L16-F30 HydrophobicContact CB-CE1 4.27Å; L16-F30 HydrophobicContact CB-CZ 3.98Å; L16-F30 HydrophobicContact CD1-CE1 4.08Å; L16-L359 HydrophobicContact CD2-CD2 4.44Å
17R93.7Very high91.2Very high80 Ų8038.4 Ų38.430%0.30220%0.204SC..Hα-helixtrans-54.5-44.1176.9-74.7-176.5-133.8128.8-0.1111.6L13 L15 L19 C20 E21 E247 L250L13-R17 WeakPolarHBondContact O-CG 3.31Å; L13-R17 PolarHBondContact O-N 2.84Å; L15-R17 PolarHBondContact O-N 2.81Å; R17-L19 PolarHBondContact O-N 2.81Å; R17-C20 PolarHBondContact O-N 2.75Å; R17-E21 WeakPolarHBondContact O-CG 3.44Å; R17-E21 PolarHBondContact O-N 2.92Å; R17-E247 WeakPolarHBondContact CG-O 3.31Å; R17-L250 PolarHBondContact NH2-O 3.49Å
18K94Very high91.4Very high49 Ų4938.2 Ų38.221%0.21320%0.202CC..Hα-helixtrans-67.9-35-178.7-158.654.5169.8174.10113.3S14 L15 L16 E21 I287 S290 M291S14-K18 PolarHBondContact O-N 3.04Å; S14-K18 VanDerWaalsContact O-N 3.09Å; L15-K18 PolarHBondContact O-N 2.8Å; L15-K18 VanDerWaalsContact O-N 3.12Å; L16-K18 VanDerWaalsContact C-N 3.25Å; L16-K18 PolarHBondContact O-N 3.06Å; K18-E21 VanDerWaalsContact CD-OE2 3.29Å; K18-E21 WeakPolarHBondContact CD-OE2 3.26Å; K18-E21 IonicContact NZ-OE2 3.59Å; K18-E21 PolarHBondContact NZ-OE2 2.9Å; K18-I287 HydrophobicContact CB-CG2 4.23Å; K18-I287 HydrophobicContact CG-CG2 3.83Å; K18-S290 WeakPolarHBondContact CE-OG 3.31Å; K18-M291 HydrophobicContact CB-CG 4.45Å; K18-M291 HydrophobicContact CB-SD 4.45Å; K18-M291 HydrophobicContact CG-CG 4.11Å
19L92.9Very high91.5Very high4 Ų438.1 Ų38.12%0.02120%0.201CC..Hα-helixtrans-70.9-38.4173.9-70.3173.6000111.9L15 L16 R17 N22 N23 L28 F30 Y282 I287L15-L19 HydrophobicContact CD1-CD1 4.21Å; L15-L19 HydrophobicContact CD1-CG 4.14Å; L15-L19 HydrophobicContact CG-CD1 4.05Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.3Å; L16-L19 VanDerWaalsContact O-N 3.15Å; R17-L19 PolarHBondContact O-N 2.81Å; L19-N22 PolarHBondContact O-N 2.78Å; L19-N23 PolarHBondContact O-N 2.91Å; L19-L28 HydrophobicContact CB-CD1 3.95Å; L19-L28 HydrophobicContact CB-CD2 4.13Å; L19-F30 HydrophobicContact CD1-CD1 3.59Å; L19-F30 HydrophobicContact CD1-CE1 3.72Å; L19-F30 HydrophobicContact CD1-CG 4.21Å; L19-F30 HydrophobicContact CD1-CZ 4.42Å; L19-Y282 HydrophobicContact CD1-CD1 4.37Å; L19-Y282 HydrophobicContact CD1-CE1 3.93Å; L19-Y282 HydrophobicContact CD2-CD1 3.59Å; L19-Y282 HydrophobicContact CD2-CE1 3.63Å; L19-Y282 HydrophobicContact CG-CE1 4.38Å; L19-I287 HydrophobicContact CD2-CD1 3.53Å
20C89.2Confident91.6Very high9 Ų938.1 Ų38.16%0.06120%0.201CC..Hα-helixtrans-64.9-36.5176.6-66.80000112.7L16 R17 N22 N23 S24 E247 R375L16-C20 PolarHBondContact O-N 3.07Å; L16-C20 PolarHBondContact O-SG 2.95Å; R17-C20 PolarHBondContact O-N 2.75Å; C20-N22 PolarHBondContact O-N 3.11Å; C20-N23 PolarHBondContact O-N 3.1Å; C20-S24 PolarHBondContact O-N 3.39Å; C20-E247 WeakPolarHBondContact CB-OE2 3.41Å; C20-E247 PolarHBondContact SG-OE1 3.04Å; C20-E247 VanDerWaalsContact SG-OE1 3.4Å; C20-E247 PolarHBondContact SG-OE2 3.5Å; C20-R375 PolarHBondContact SG-NH1 3.47Å; C20-R375 VanDerWaalsContact SG-NH1 3.38Å
21E86.9Confident91.7Very high130 Ų13035.9 Ų35.961%0.60719%0.187SC*.Hα-helixtrans-57.5-35.3174.2-76.3174.1-164.200112.6R17 K18R17-E21 WeakPolarHBondContact O-CG 3.44Å; R17-E21 PolarHBondContact O-N 2.92Å; K18-E21 VanDerWaalsContact CD-OE2 3.29Å; K18-E21 WeakPolarHBondContact CD-OE2 3.26Å; K18-E21 IonicContact NZ-OE2 3.59Å; K18-E21 PolarHBondContact NZ-OE2 2.9Å
22N78.2Confident91.6Very high99 Ų9935.9 Ų35.953%0.52919%0.187SC..Hα-helixtrans-86-30.2-176.4-69.3-18.9000113L19 C20L19-N22 PolarHBondContact O-N 2.78Å; C20-N22 PolarHBondContact O-N 3.11Å
23N78.4Confident91.5Very high63 Ų6335.8 Ų35.834%0.33719%0.187SC..  trans-144.371-171.1-71.9-44000111.6L19 C20 T25 Q26 R375L19-N23 PolarHBondContact O-N 2.91Å; C20-N23 PolarHBondContact O-N 3.1Å; N23-T25 PolarHBondContact O-N 3.31Å; N23-Q26 HydrophobicContact CB-CB 4.23Å; N23-Q26 HydrophobicContact CB-CG 4.33Å; N23-R375 PolarHBondContact O-NH2 2.85Å
24S80.3Confident91.4Very high61 Ų6135.7 Ų35.743%0.42719%0.187SC..THydrogen-bonded Turntrans-65.9-13-169.659.80000117C20 T241 R375C20-S24 PolarHBondContact O-N 3.39Å; S24-T241 WeakPolarHBondContact O-CG2 3.44Å; S24-R375 PolarHBondContact O-NH1 3.46Å
25T84.7Confident91.3Very high87 Ų8734.2 Ų34.253%0.53418%0.176SC..THydrogen-bonded Turntrans-120.4-1.4-17454.10000114.6N23 T241 C377N23-T25 PolarHBondContact O-N 3.31Å; T25-T241 HydrophobicContact CG2-CG2 4.49Å; T25-C377 VanDerWaalsContact O-CB 3.28Å; T25-C377 WeakPolarHBondContact O-CB 3.39Å
26Q91.8Very high91.3Very high101 Ų10134.2 Ų34.247%0.47218%0.176SC..SBendtrans-93158.8-177-64.3-177.4-6.800111.7N23 R375N23-Q26 HydrophobicContact CB-CB 4.23Å; N23-Q26 HydrophobicContact CB-CG 4.33Å; Q26-R375 VanDerWaalsContact O-CZ 3.31Å; Q26-R375 PolarHBondContact O-NE 3.31Å; Q26-R375 PolarHBondContact O-NH2 3.24Å
27N95.3Very high91.1Very high27 Ų2734.2 Ų34.214%0.14418%0.176CC..  trans-61.6149167.3-64.6-25.6000109.7L278 R375 C377 S378N27-L278 HydrophobicContact CB-CD1 4.47Å; N27-L278 HydrophobicContact CB-CD2 3.71Å; N27-L278 VanDerWaalsContact ND2-CD2 3.29Å; N27-L278 WeakPolarHBondContact ND2-CD2 3.34Å; N27-R375 VanDerWaalsContact CA-O 3.29Å; N27-R375 WeakPolarHBondContact CA-O 3.44Å; N27-C377 PolarHBondContact OD1-N 3.2Å; N27-S378 PolarHBondContact ND2-O 3.47Å; N27-S378 PolarHBondContact OD1-N 3.18Å; N27-S378 VanDerWaalsContact OD1-N 3.07Å; N27-S378 PolarHBondContact OD1-O 3.41Å
28L95.7Very high91.1Very high2 Ų230.5 Ų30.51%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-131.9143.2171-62.7174.2000107.8L16 L19 Y282 G374 R375L16-L28 HydrophobicContact CD1-CD1 4.09Å; L19-L28 HydrophobicContact CB-CD1 3.95Å; L19-L28 HydrophobicContact CB-CD2 4.13Å; L28-Y282 WeakPolarHBondContact CA-OH 3.33Å; L28-Y282 HydrophobicContact CD2-CE1 4.22Å; L28-G374 CarbonylContact O-C 3.57Å; L28-G374 WeakPolarHBondContact O-CA 3.22Å; L28-R375 HydrophobicContact CB-CB 4.07Å; L28-R375 HydrophobicContact CG-CB 4.48Å; L28-R375 PolarHBondContact N-O 3.07Å; L28-R375 PolarHBondContact O-N 3.35Å
29F95.7Very high91.2Very high0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-159112.8173.5-175.4-113.3000109.7L278 E280 Y282 S322 F323 V324 F360 F372 C373F29-L278 HydrophobicContact CB-CB 4.01Å; F29-L278 HydrophobicContact CB-CD1 4.04Å; F29-L278 HydrophobicContact CG-CB 4.35Å; F29-E280 HydrophobicContact CB-CB 4.41Å; F29-E280 HydrophobicContact CB-CG 3.87Å; F29-E280 WeakPolarHBondContact O-CB 3.42Å; F29-Y282 PolarHBondContact N-OH 3.09Å; F29-Y282 VanDerWaalsContact N-OH 3.08Å; F29-Y282 WeakPolarHBondContact O-CE2 3.14Å; F29-S322 PolarHBondContact O-OG 2.88Å; F29-F323 VanDerWaalsContact CE1-C 3.46Å; F29-V324 HydrophobicContact CD1-CB 4.2Å; F29-V324 HydrophobicContact CD1-CG1 3.71Å; F29-V324 HydrophobicContact CD2-CG1 3.8Å; F29-V324 HydrophobicContact CE1-CB 3.53Å; F29-V324 HydrophobicContact CE1-CG1 3.53Å; F29-V324 HydrophobicContact CE2-CB 3.97Å; F29-V324 HydrophobicContact CE2-CG1 3.61Å; F29-V324 HydrophobicContact CG-CG1 3.84Å; F29-V324 HydrophobicContact CZ-CB 3.39Å; F29-V324 HydrophobicContact CZ-CG1 3.48Å; F29-V324 VanDerWaalsContact CZ-CG1 3.48Å; F29-V324 HydrophobicContact CZ-CG2 4.26Å; F29-F360 AromaticContact CD2-CE2 3.88Å; F29-F360 HydrophobicContact CD2-CE2 3.88Å; F29-F360 AromaticContact CD2-CZ 3.63Å; F29-F360 HydrophobicContact CD2-CZ 3.63Å; F29-F360 AromaticContact CE2-CE2 3.78Å; F29-F360 HydrophobicContact CE2-CE2 3.78Å; F29-F360 HydrophobicContact CE2-CZ 4.01Å; F29-F372 AromaticContact CE1-CD1 3.79Å; F29-F372 HydrophobicContact CE1-CD1 3.79Å; F29-F372 HydrophobicContact CE1-CE1 4.11Å; F29-F372 HydrophobicContact CE2-CB 3.64Å; F29-F372 AromaticContact CE2-CD1 3.82Å; F29-F372 HydrophobicContact CE2-CD1 3.82Å; F29-F372 AromaticContact CE2-CG 4Å; F29-F372 HydrophobicContact CE2-CG 4Å; F29-F372 HydrophobicContact CZ-CB 3.86Å; F29-F372 AromaticContact CZ-CD1 3.15Å; F29-F372 HydrophobicContact CZ-CD1 3.15Å; F29-F372 AromaticContact CZ-CE1 3.79Å; F29-F372 HydrophobicContact CZ-CE1 3.79Å; F29-F372 AromaticContact CZ-CG 3.67Å; F29-F372 HydrophobicContact CZ-CG 3.67Å; F29-C373 WeakPolarHBondContact CA-O 3.3Å
30F96.7Very high91.2Very high1 Ų128 Ų280%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-141.5159.5179.265.3-84.1000111.5L15 L16 L19 P32 I35 Y282 S322 F372 C373L15-F30 HydrophobicContact CB-CE2 4.17Å; L15-F30 HydrophobicContact CB-CZ 4.35Å; L15-F30 HydrophobicContact CD2-CD2 3.64Å; L15-F30 HydrophobicContact CD2-CE2 3.58Å; L15-F30 HydrophobicContact CD2-CG 4.43Å; L15-F30 HydrophobicContact CD2-CZ 4.34Å; L15-F30 HydrophobicContact CG-CD2 4.3Å; L15-F30 HydrophobicContact CG-CE2 3.9Å; L15-F30 HydrophobicContact CG-CZ 4.17Å; L16-F30 HydrophobicContact CB-CE1 4.27Å; L16-F30 HydrophobicContact CB-CZ 3.98Å; L16-F30 HydrophobicContact CD1-CE1 4.08Å; L19-F30 HydrophobicContact CD1-CD1 3.59Å; L19-F30 HydrophobicContact CD1-CE1 3.72Å; L19-F30 HydrophobicContact CD1-CG 4.21Å; L19-F30 HydrophobicContact CD1-CZ 4.42Å; F30-P32 HydrophobicContact CD2-CB 4.41Å; F30-P32 HydrophobicContact CE2-CB 4.06Å; F30-P32 HydrophobicContact CE2-CG 4.36Å; F30-P32 VanDerWaalsContact O-CD 3.29Å; F30-P32 WeakPolarHBondContact O-CD 3.49Å; F30-I35 HydrophobicContact CB-CD1 4.31Å; F30-I35 HydrophobicContact CD2-CD1 4.1Å; F30-Y282 HydrophobicContact CB-CE2 3.96Å; F30-S322 VanDerWaalsContact CA-OG 3.32Å; F30-S322 WeakPolarHBondContact CA-OG 3.4Å; F30-F372 WeakPolarHBondContact O-CA 3.45Å; F30-C373 HydrophobicContact CE1-CB 3.96Å; F30-C373 HydrophobicContact CE2-CB 4.1Å; F30-C373 HydrophobicContact CZ-CB 3.71Å; F30-C373 PolarHBondContact N-O 3.3Å; F30-C373 PolarHBondContact O-N 3.11Å
31S96.6Very high91.3Very high0 Ų027.6 Ų27.60%015%0.149CC..  trans-103.398.9173.2-179.90000109.7F33 S34 I35 H320 L371S31-F33 PolarHBondContact O-N 3.45Å; S31-S34 PolarHBondContact O-N 2.77Å; S31-S34 WeakPolarHBondContact OG-CB 3.23Å; S31-S34 PolarHBondContact OG-N 2.58Å; S31-S34 VanDerWaalsContact OG-N 3.11Å; S31-I35 VanDerWaalsContact O-CG1 3.3Å; S31-I35 WeakPolarHBondContact O-CG1 3.4Å; S31-I35 PolarHBondContact O-N 3.31Å; S31-I35 VanDerWaalsContact O-N 3.09Å; S31-H320 PolarHBondContact N-NE2 3.2Å; S31-L371 VanDerWaalsContact CA-O 3.27Å; S31-L371 WeakPolarHBondContact CA-O 3.26Å; S31-L371 VanDerWaalsContact CB-O 3.32Å; S31-L371 WeakPolarHBondContact CB-O 3.34Å; S31-L371 PolarHBondContact OG-O 3.1Å
32P95.3Very high91.7Very high0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-59.2-38.3175.824-34.1000111.4N8 F11 A12 F30 I35 S36 I370N8-P32 PolarHBondContact OD1-O 3.01Å; F11-P32 HydrophobicContact CD1-CB 4.38Å; A12-P32 HydrophobicContact CB-CB 3.3Å; A12-P32 HydrophobicContact CB-CG 3.53Å; F30-P32 HydrophobicContact CD2-CB 4.41Å; F30-P32 HydrophobicContact CE2-CB 4.06Å; F30-P32 HydrophobicContact CE2-CG 4.36Å; F30-P32 VanDerWaalsContact O-CD 3.29Å; F30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-I35 PolarHBondContact O-N 2.97Å; P32-S36 WeakPolarHBondContact O-CB 3.35Å; P32-S36 PolarHBondContact O-N 2.81Å; P32-S36 PolarHBondContact O-OG 2.82Å; P32-I370 HydrophobicContact CG-CG2 4.16Å
33F92.8Very high92.4Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-56.9-48.7175.4163.3-97.9000112.6N8 S31 S36 S37 Y70 L73 L74 I77 L371N8-F33 WeakPolarHBondContact OD1-CA 3.39Å; N8-F33 PolarHBondContact OD1-N 3.1Å; S31-F33 PolarHBondContact O-N 3.45Å; F33-S36 WeakPolarHBondContact CA-OG 3.49Å; F33-S36 PolarHBondContact O-OG 3.17Å; F33-S37 WeakPolarHBondContact O-CB 3.28Å; F33-S37 PolarHBondContact O-N 3.03Å; F33-Y70 HydrophobicContact CD2-CE1 4.36Å; F33-Y70 HydrophobicContact CE2-CD1 4.09Å; F33-Y70 HydrophobicContact CE2-CE1 4.29Å; F33-L73 HydrophobicContact CD2-CD2 3.6Å; F33-L73 HydrophobicContact CD2-CG 4.23Å; F33-L73 HydrophobicContact CE2-CB 4.45Å; F33-L73 HydrophobicContact CE2-CD2 3.47Å; F33-L73 VanDerWaalsContact CE2-CD2 3.47Å; F33-L73 HydrophobicContact CE2-CG 3.69Å; F33-L74 HydrophobicContact CE1-CD2 4.02Å; F33-L74 HydrophobicContact CZ-CD2 3.49Å; F33-L74 VanDerWaalsContact CZ-CD2 3.49Å; F33-L74 HydrophobicContact CZ-CG 3.83Å; F33-I77 HydrophobicContact CD1-CD1 3.88Å; F33-I77 HydrophobicContact CE1-CD1 3.12Å; F33-I77 HydrophobicContact CE2-CD1 3.88Å; F33-I77 HydrophobicContact CZ-CD1 3.11Å; F33-I77 HydrophobicContact CZ-CG1 4.4Å; F33-L371 HydrophobicContact CB-CD2 4.1Å; F33-L371 HydrophobicContact CD1-CD2 4.22Å; F33-L371 HydrophobicContact CD2-CD2 4.38Å; F33-L371 HydrophobicContact CG-CD2 3.93Å
34S93.1Very high93.1Very high0 Ų015.4 Ų15.40%09%0.088CC..Hα-helixtrans-67.9-44.7-177.3-159.10000110.8S31 S37 A38 N90 N163S31-S34 PolarHBondContact O-N 2.77Å; S31-S34 WeakPolarHBondContact OG-CB 3.23Å; S31-S34 PolarHBondContact OG-N 2.58Å; S31-S34 VanDerWaalsContact OG-N 3.11Å; S34-S37 PolarHBondContact O-N 3.46Å; S34-A38 VanDerWaalsContact O-CB 3.29Å; S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 2.8Å; S34-N90 PolarHBondContact OG-ND2 3.41Å; S34-N90 VanDerWaalsContact OG-ND2 3.15Å; S34-N90 PolarHBondContact OG-OD1 3.07Å; S34-N163 WeakPolarHBondContact CB-OD1 3.48Å; S34-N163 PolarHBondContact O-ND2 2.93Å; S34-N163 PolarHBondContact OG-ND2 3.48Å; S34-N163 PolarHBondContact OG-OD1 3.04Å
35I95.6Very high93.7Very high3 Ų312.5 Ų12.52%0.0157%0.067CC..Hα-helixtrans-62.4-47.6178.3-62.8164.8000110.6F11 L15 F30 S31 P32 S37 A38 L39 L284 H320F11-I35 HydrophobicContact CE1-CB 4.09Å; F11-I35 HydrophobicContact CE1-CG2 3.81Å; F11-I35 HydrophobicContact CZ-CB 4.41Å; F11-I35 HydrophobicContact CZ-CG2 3.64Å; L15-I35 HydrophobicContact CD2-CD1 3.7Å; F30-I35 HydrophobicContact CB-CD1 4.31Å; F30-I35 HydrophobicContact CD2-CD1 4.1Å; S31-I35 VanDerWaalsContact O-CG1 3.3Å; S31-I35 WeakPolarHBondContact O-CG1 3.4Å; S31-I35 PolarHBondContact O-N 3.31Å; S31-I35 VanDerWaalsContact O-N 3.09Å; P32-I35 PolarHBondContact O-N 2.97Å; I35-S37 PolarHBondContact O-N 3.07Å; I35-A38 PolarHBondContact O-N 3.22Å; I35-L39 HydrophobicContact CG2-CD1 3.86Å; I35-L39 HydrophobicContact CG2-CG 4.34Å; I35-L39 WeakPolarHBondContact O-CB 3.44Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 2.99Å; I35-L284 HydrophobicContact CB-CD1 4.47Å; I35-L284 HydrophobicContact CD1-CD1 3.83Å; I35-L284 HydrophobicContact CG1-CD1 3.87Å; I35-L284 HydrophobicContact CG2-CD1 3.73Å; I35-H320 HydrophobicContact CD1-CB 4.27Å; I35-H320 HydrophobicContact CG1-CB 4.15Å; I35-H320 WeakPolarHBondContact CG1-ND1 3.33Å
36S94.4Very high94.2Very high1 Ų18.4 Ų8.41%0.0074%0.042CC..Hα-helixtrans-66.9-37.7-177.365.80000112N8 P32 F33 S40 Y70N8-S36 PolarHBondContact OD1-OG 3.45Å; P32-S36 WeakPolarHBondContact O-CB 3.35Å; P32-S36 PolarHBondContact O-N 2.81Å; P32-S36 PolarHBondContact O-OG 2.82Å; F33-S36 WeakPolarHBondContact CA-OG 3.49Å; F33-S36 PolarHBondContact O-OG 3.17Å; S36-S40 VanDerWaalsContact O-CB 3.26Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 2.96Å; S36-S40 PolarHBondContact O-OG 3.42Å; S36-Y70 WeakPolarHBondContact CB-OH 3.32Å; S36-Y70 PolarHBondContact OG-OH 2.8Å
37S92.6Very high94.3Very high2 Ų27.3 Ų7.31%0.0144%0.036CC..Hα-helixtrans-61.3-48.2171.5-1760000111.5F33 S34 I35 L39 S40 M41 Y112F33-S37 WeakPolarHBondContact O-CB 3.28Å; F33-S37 PolarHBondContact O-N 3.03Å; S34-S37 PolarHBondContact O-N 3.46Å; I35-S37 PolarHBondContact O-N 3.07Å; S37-L39 PolarHBondContact O-N 3.03Å; S37-S40 WeakPolarHBondContact O-CB 3.37Å; S37-S40 PolarHBondContact O-N 2.79Å; S37-M41 PolarHBondContact O-N 2.94Å; S37-Y112 WeakPolarHBondContact O-CE1 3.45Å; S37-Y112 WeakPolarHBondContact OG-CD1 3.34Å
38A93.3Very high94.3Very high2 Ų28.2 Ų8.22%0.0175%0.051CC..Hα-helixtrans-66-38-179.700000113.4S34 I35 M41 I42 L161S34-A38 VanDerWaalsContact O-CB 3.29Å; S34-A38 WeakPolarHBondContact O-CB 3.46Å; S34-A38 PolarHBondContact O-N 2.8Å; I35-A38 PolarHBondContact O-N 3.22Å; A38-M41 WeakPolarHBondContact O-CB 3.31Å; A38-M41 PolarHBondContact O-N 2.88Å; A38-I42 PolarHBondContact O-N 3.19Å; A38-L161 HydrophobicContact CB-CD1 3.84Å; A38-L161 HydrophobicContact CB-CD2 3.82Å; A38-L161 HydrophobicContact CB-CG 4.24Å
39L94.8Very high94.3Very high0 Ų012.3 Ų12.30%07%0.073CC..Hα-helixtrans-71.7-32.2172.3-69.7175.2000112.2F11 I35 S37 M41 I42 L43 L58 L161 L288 M293F11-L39 HydrophobicContact CZ-CD1 4.32Å; I35-L39 HydrophobicContact CG2-CD1 3.86Å; I35-L39 HydrophobicContact CG2-CG 4.34Å; I35-L39 WeakPolarHBondContact O-CB 3.44Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 2.99Å; S37-L39 PolarHBondContact O-N 3.03Å; L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 2.94Å; L39-I42 WeakPolarHBondContact O-CB 3.49Å; L39-I42 PolarHBondContact O-N 2.72Å; L39-I42 VanDerWaalsContact O-N 3.17Å; L39-L43 PolarHBondContact O-N 2.99Å; L39-L58 HydrophobicContact CB-CD1 3.95Å; L39-L58 HydrophobicContact CB-CD2 3.96Å; L39-L58 HydrophobicContact CB-CG 4.35Å; L39-L58 HydrophobicContact CD1-CD2 3.97Å; L39-L161 HydrophobicContact CD2-CD2 4.11Å; L39-L288 HydrophobicContact CD1-CD1 3.93Å; L39-L288 HydrophobicContact CD1-CD2 3.8Å; L39-L288 HydrophobicContact CD2-CD1 3.96Å; L39-M293 HydrophobicContact CD2-CE 4.44Å
40S93.4Very high94.3Very high0 Ų012.3 Ų12.30%07%0.073CC..Hα-helixtrans-68.7-27.9173.9-59.80000112.1S36 S37 L43 L44 L58 H67 Y70 Y112S36-S40 VanDerWaalsContact O-CB 3.26Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 2.96Å; S36-S40 PolarHBondContact O-OG 3.42Å; S37-S40 WeakPolarHBondContact O-CB 3.37Å; S37-S40 PolarHBondContact O-N 2.79Å; S40-L43 WeakPolarHBondContact O-CB 3.15Å; S40-L43 PolarHBondContact O-N 3.34Å; S40-L44 PolarHBondContact O-N 2.7Å; S40-L58 WeakPolarHBondContact OG-CD1 3.29Å; S40-H67 PolarHBondContact O-CE1 2.66Å; S40-Y70 WeakPolarHBondContact OG-CE2 3.35Å; S40-Y112 WeakPolarHBondContact CB-OH 3.29Å; S40-Y112 PolarHBondContact O-OH 2.95Å
41M92.8Very high94.3Very high1 Ų115.2 Ų15.21%0.0059%0.087CC..Hα-helixtrans-66.6-40.3168.9175.9-174.954.200111.4S37 A38 L39 L43 L44 L92 F104 S108 Y112 A114 L161S37-M41 PolarHBondContact O-N 2.94Å; A38-M41 WeakPolarHBondContact O-CB 3.31Å; A38-M41 PolarHBondContact O-N 2.88Å; L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 2.94Å; M41-L43 VanDerWaalsContact C-N 3.35Å; M41-L44 VanDerWaalsContact O-CB 3.27Å; M41-L44 WeakPolarHBondContact O-CB 3.37Å; M41-L44 PolarHBondContact O-N 3.36Å; M41-L92 HydrophobicContact CE-CD1 3.79Å; M41-L92 HydrophobicContact CE-CD2 3.96Å; M41-L92 HydrophobicContact CE-CG 3.48Å; M41-L92 VanDerWaalsContact CE-CG 3.48Å; M41-L92 HydrophobicContact CG-CD1 4.02Å; M41-L92 HydrophobicContact SD-CD1 3.88Å; M41-L92 HydrophobicContact SD-CG 4.06Å; M41-F104 WeakPolarHBondContact O-CE2 3.38Å; M41-S108 VanDerWaalsContact CG-OG 3.29Å; M41-S108 WeakPolarHBondContact CG-OG 3.36Å; M41-S108 PolarHBondContact SD-OG 3.01Å; M41-Y112 VanDerWaalsContact CA-CE2 3.46Å; M41-Y112 HydrophobicContact CB-CD1 4.44Å; M41-Y112 HydrophobicContact CB-CD2 3.64Å; M41-Y112 HydrophobicContact CB-CE2 3.76Å; M41-Y112 HydrophobicContact CB-CG 3.98Å; M41-Y112 HydrophobicContact CG-CD2 3.95Å; M41-Y112 HydrophobicContact CG-CE2 4.37Å; M41-Y112 HydrophobicContact CG-CG 4.46Å; M41-Y112 PolarHBondContact N-OH 3.24Å; M41-A114 HydrophobicContact CE-CB 4.49Å; M41-A114 HydrophobicContact SD-CB 3.66Å; M41-L161 HydrophobicContact CE-CD1 3.61Å
42I93.8Very high94.2Very high0 Ų019.6 Ų19.60%011%0.113CC..Hα-helixtrans-63.9-42170.8-64.6-67.4000111.1A38 L39 L44 G45 S46 I54 L92 L159 L161 F304 I307 L315A38-I42 PolarHBondContact O-N 3.19Å; L39-I42 WeakPolarHBondContact O-CB 3.49Å; L39-I42 PolarHBondContact O-N 2.72Å; L39-I42 VanDerWaalsContact O-N 3.17Å; I42-L44 PolarHBondContact O-N 2.61Å; I42-G45 PolarHBondContact O-N 3.2Å; I42-G45 VanDerWaalsContact O-N 3.13Å; I42-S46 PolarHBondContact O-N 3.06Å; I42-S46 VanDerWaalsContact O-N 3.09Å; I42-S46 PolarHBondContact O-OG 3.21Å; I42-I54 HydrophobicContact CG2-CD1 3.87Å; I42-L92 HydrophobicContact CD1-CD1 3.95Å; I42-L92 HydrophobicContact CD1-CD2 3.33Å; I42-L92 HydrophobicContact CD1-CG 4.3Å; I42-L92 HydrophobicContact CG1-CD2 4.23Å; I42-L159 HydrophobicContact CD1-CD2 3.82Å; I42-L161 HydrophobicContact CG1-CD2 4.19Å; I42-F304 HydrophobicContact CG2-CD1 4.19Å; I42-F304 HydrophobicContact CG2-CE1 3.4Å; I42-F304 VanDerWaalsContact CG2-CE1 3.4Å; I42-F304 HydrophobicContact CG2-CZ 4.1Å; I42-I307 HydrophobicContact CD1-CD1 4.46Å; I42-L315 HydrophobicContact CD1-CD1 4.14Å
43L94.2Very high94.3Very high2 Ų220.8 Ų20.81%0.0112%0.119CC..Hα-helixtrans-56.3-35.6179.7-177.363000112.4L39 S40 M41 G45 S46 E51 I54 A55 L60 A63L39-L43 PolarHBondContact O-N 2.99Å; S40-L43 WeakPolarHBondContact O-CB 3.15Å; S40-L43 PolarHBondContact O-N 3.34Å; M41-L43 VanDerWaalsContact C-N 3.35Å; L43-G45 PolarHBondContact O-N 3.09Å; L43-S46 PolarHBondContact O-N 2.88Å; L43-S46 VanDerWaalsContact O-N 3.11Å; L43-E51 HydrophobicContact CD1-CB 4.27Å; L43-E51 HydrophobicContact CD1-CG 3.59Å; L43-E51 VanDerWaalsContact CD1-O 3.31Å; L43-E51 WeakPolarHBondContact CD1-O 3.44Å; L43-I54 HydrophobicContact CB-CG2 3.91Å; L43-I54 HydrophobicContact CD1-CB 3.96Å; L43-I54 HydrophobicContact CD1-CG2 3.94Å; L43-I54 HydrophobicContact CG-CG2 4.36Å; L43-A55 HydrophobicContact CD1-CB 4.22Å; L43-A55 HydrophobicContact CD2-CB 4.22Å; L43-L60 HydrophobicContact CD2-CD1 3.79Å; L43-A63 HydrophobicContact CD1-CB 4.35Å; L43-A63 HydrophobicContact CD2-CB 3.65Å; L43-A63 HydrophobicContact CG-CB 3.93Å
44L92.4Very high94.5Very high34 Ų3420.8 Ų20.818%0.17812%0.119CC..Hα-helixtrans-52.1-41.2177.3-179.673.3000112.8S40 M41 I42 F104 S107S40-L44 PolarHBondContact O-N 2.7Å; M41-L44 VanDerWaalsContact O-CB 3.27Å; M41-L44 WeakPolarHBondContact O-CB 3.37Å; M41-L44 PolarHBondContact O-N 3.36Å; I42-L44 PolarHBondContact O-N 2.61Å; L44-F104 HydrophobicContact CB-CE2 4.25Å; L44-F104 HydrophobicContact CD2-CD2 3.94Å; L44-F104 HydrophobicContact CD2-CE2 4.04Å; L44-F104 HydrophobicContact CG-CD2 4.29Å; L44-F104 HydrophobicContact CG-CE2 4.42Å; L44-S107 VanDerWaalsContact CD2-CB 3.49Å
45G93.1Very high94.6Very high0 Ų021.4 Ų21.40%012%0.124CC..Hα-helixtrans-103.52179.900000114.4I42 L43 F304 G306I42-G45 PolarHBondContact O-N 3.2Å; I42-G45 VanDerWaalsContact O-N 3.13Å; L43-G45 PolarHBondContact O-N 3.09Å; G45-F304 CarbonylContact O-C 3.57Å; G45-F304 WeakPolarHBondContact O-CA 3.23Å; G45-G306 CarbonylContact O-C 3.53Å; G45-G306 WeakPolarHBondContact O-CA 3.42Å; G45-G306 PolarHBondContact O-N 2.64Å
46S94.6Very high94.5Very high0 Ų029.1 Ų29.10%016%0.157CC..  trans-78.9148.7173.6-56.80000110.5I42 L43 I54 D303 F304I42-S46 PolarHBondContact O-N 3.06Å; I42-S46 VanDerWaalsContact O-N 3.09Å; I42-S46 PolarHBondContact O-OG 3.21Å; L43-S46 PolarHBondContact O-N 2.88Å; L43-S46 VanDerWaalsContact O-N 3.11Å; S46-I54 WeakPolarHBondContact OG-CD1 3.45Å; S46-D303 CarbonylContact C-O 3.52Å; S46-D303 WeakPolarHBondContact CA-O 3.49Å; S46-F304 WeakPolarHBondContact OG-CE1 3.44Å
47K94.6Very high94.6Very high79 Ų7929.5 Ų29.534%0.34316%0.16SC..  trans-137172.7177.1-64.9-74.3157.8-990110.7N49 T50 E51 D303K47-N49 PolarHBondContact O-N 3.41Å; K47-T50 WeakPolarHBondContact O-CB 3.04Å; K47-T50 PolarHBondContact O-N 3.25Å; K47-E51 IonicContact NZ-OE2 2.71Å; K47-E51 PolarHBondContact O-N 2.77Å; K47-E51 VanDerWaalsContact O-N 3.11Å; K47-D303 HydrophobicContact CB-CB 4.41Å; K47-D303 WeakPolarHBondContact CB-OD2 3.36Å; K47-D303 PolarHBondContact N-O 3.37Å
48G94.4Very high94.7Very high46 Ų4629.5 Ų29.547%0.47416%0.16SC..Hα-helixtrans54.8-135.9174.600000113.9T50 E51 V52G48-T50 VanDerWaalsContact C-N 3.31Å; G48-T50 PolarHBondContact O-N 3.31Å; G48-E51 PolarHBondContact O-N 3.36Å; G48-V52 PolarHBondContact O-N 2.8Å
49N96Very high94.7Very high88 Ų8831.6 Ų31.647%0.47117%0.174SC..Hα-helixtrans-69.6-28.9-179.2-160.247.2000112.8K47 E51 V52 Q53 D295K47-N49 PolarHBondContact O-N 3.41Å; N49-E51 VanDerWaalsContact C-N 3.34Å; N49-E51 PolarHBondContact O-N 3.47Å; N49-V52 PolarHBondContact O-N 2.84Å; N49-Q53 PolarHBondContact ND2-NE2 2.9Å; N49-Q53 WeakPolarHBondContact O-CB 3.42Å; N49-Q53 WeakPolarHBondContact O-CG 3.43Å; N49-Q53 PolarHBondContact O-N 3.13Å; N49-D295 PolarHBondContact ND2-OD2 3.32Å
50T96.7Very high94.5Very high0 Ų032.6 Ų32.60%018%0.179CC..Hα-helixtrans-61.5-45177-61.50000110.3K47 G48 Q53 I54 A296 D303 F304K47-T50 WeakPolarHBondContact O-CB 3.04Å; K47-T50 PolarHBondContact O-N 3.25Å; G48-T50 VanDerWaalsContact C-N 3.31Å; G48-T50 PolarHBondContact O-N 3.31Å; T50-Q53 PolarHBondContact O-N 3.38Å; T50-I54 HydrophobicContact CG2-CD1 3.83Å; T50-I54 VanDerWaalsContact O-CG1 3.3Å; T50-I54 WeakPolarHBondContact O-CG1 3.34Å; T50-I54 PolarHBondContact O-N 3.23Å; T50-A296 HydrophobicContact CG2-CB 4.16Å; T50-D303 PolarHBondContact OG1-N 3.42Å; T50-F304 HydrophobicContact CG2-CD1 4.42Å; T50-F304 HydrophobicContact CG2-CE1 3.74Å; T50-F304 HydrophobicContact CG2-CZ 3.86Å
51E95.5Very high93.6Very high61 Ų6137.2 Ų37.229%0.28521%0.212SC..Hα-helixtrans-59.4-48.5174.8-171.4-176153.100111.9L43 K47 G48 N49 Q53 I54 A55L43-E51 HydrophobicContact CD1-CB 4.27Å; L43-E51 HydrophobicContact CD1-CG 3.59Å; L43-E51 VanDerWaalsContact CD1-O 3.31Å; L43-E51 WeakPolarHBondContact CD1-O 3.44Å; K47-E51 IonicContact NZ-OE2 2.71Å; K47-E51 PolarHBondContact O-N 2.77Å; K47-E51 VanDerWaalsContact O-N 3.11Å; G48-E51 PolarHBondContact O-N 3.36Å; N49-E51 VanDerWaalsContact C-N 3.34Å; N49-E51 PolarHBondContact O-N 3.47Å; E51-Q53 PolarHBondContact O-N 3.4Å; E51-I54 PolarHBondContact O-N 3.15Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.3Å
52V95.4Very high92.3Very high92 Ų9243.8 Ų43.856%0.55824%0.24SC*.Hα-helixtrans-60.8-44.2-179.21740000111.5G48 N49 K56G48-V52 PolarHBondContact O-N 2.8Å; N49-V52 PolarHBondContact O-N 2.84Å; V52-K56 VanDerWaalsContact O-CB 3.3Å; V52-K56 WeakPolarHBondContact O-CB 3.45Å; V52-K56 PolarHBondContact O-N 2.77Å
53Q97.3Very high90.9Very high26 Ų2644.5 Ų44.512%0.12125%0.246CC..Hα-helixtrans-65.1-47.5179.8-76.1-177.36.800112.2N49 T50 E51 K56 V57 G292 M293 P294 D295N49-Q53 PolarHBondContact ND2-NE2 2.9Å; N49-Q53 WeakPolarHBondContact O-CB 3.42Å; N49-Q53 WeakPolarHBondContact O-CG 3.43Å; N49-Q53 PolarHBondContact O-N 3.13Å; T50-Q53 PolarHBondContact O-N 3.38Å; E51-Q53 PolarHBondContact O-N 3.4Å; Q53-K56 PolarHBondContact O-N 3.15Å; Q53-V57 WeakPolarHBondContact O-CG2 3.33Å; Q53-V57 PolarHBondContact O-N 3.43Å; Q53-G292 WeakPolarHBondContact CG-O 3.38Å; Q53-M293 HydrophobicContact CB-CB 3.98Å; Q53-M293 VanDerWaalsContact OE1-C 3.3Å; Q53-P294 VanDerWaalsContact OE1-CD 3.28Å; Q53-D295 PolarHBondContact NE2-OD1 2.93Å; Q53-D295 PolarHBondContact NE2-OD2 3.07Å; Q53-D295 VanDerWaalsContact OE1-CB 3.29Å
54I96.1Very high89.4Confident0 Ų052.1 Ų52.10%028%0.282CS..Hα-helixtrans-62.9-47.1179.5-66.8168.3000110.5I42 L43 S46 T50 E51 K56 V57 L58 M293 A296 F304I42-I54 HydrophobicContact CG2-CD1 3.87Å; L43-I54 HydrophobicContact CB-CG2 3.91Å; L43-I54 HydrophobicContact CD1-CB 3.96Å; L43-I54 HydrophobicContact CD1-CG2 3.94Å; L43-I54 HydrophobicContact CG-CG2 4.36Å; S46-I54 WeakPolarHBondContact OG-CD1 3.45Å; T50-I54 HydrophobicContact CG2-CD1 3.83Å; T50-I54 VanDerWaalsContact O-CG1 3.3Å; T50-I54 WeakPolarHBondContact O-CG1 3.34Å; T50-I54 PolarHBondContact O-N 3.23Å; E51-I54 PolarHBondContact O-N 3.15Å; I54-K56 VanDerWaalsContact C-N 3.28Å; I54-K56 PolarHBondContact O-N 2.94Å; I54-V57 PolarHBondContact O-N 3.45Å; I54-L58 HydrophobicContact CG2-CD1 3.84Å; I54-L58 HydrophobicContact CG2-CG 4.43Å; I54-L58 WeakPolarHBondContact O-CB 3.39Å; I54-L58 WeakPolarHBondContact O-CG 3.41Å; I54-L58 PolarHBondContact O-N 3.27Å; I54-M293 HydrophobicContact CD1-CE 4.22Å; I54-M293 HydrophobicContact CG1-CB 4.46Å; I54-M293 HydrophobicContact CG1-CE 3.61Å; I54-M293 HydrophobicContact CG1-SD 4.14Å; I54-A296 HydrophobicContact CD1-CB 4.33Å; I54-F304 HydrophobicContact CD1-CE1 4.41Å
55A94.8Very high88Confident13 Ų1355.7 Ų55.711%0.10730%0.301CS..Hα-helixtrans-58.9-40.9177.900000111.8L43 E51 L58 S59 L60L43-A55 HydrophobicContact CD1-CB 4.22Å; L43-A55 HydrophobicContact CD2-CB 4.22Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.3Å; A55-L58 CarbonylContact O-C 3.52Å; A55-L58 PolarHBondContact O-N 2.87Å; A55-S59 PolarHBondContact O-N 2.99Å; A55-S59 VanDerWaalsContact O-N 3.14Å; A55-L60 HydrophobicContact CB-CB 4.48Å; A55-L60 PolarHBondContact O-N 3.19Å
56K94.9Very high87.4Confident164 Ų16455.8 Ų55.871%0.71330%0.302SS*.Hα-helixtrans-64.7-46176.9-175.5179.9179-176.30112.4V52 Q53 I54 L58 S59V52-K56 VanDerWaalsContact O-CB 3.3Å; V52-K56 WeakPolarHBondContact O-CB 3.45Å; V52-K56 PolarHBondContact O-N 2.77Å; Q53-K56 PolarHBondContact O-N 3.15Å; I54-K56 VanDerWaalsContact C-N 3.28Å; I54-K56 PolarHBondContact O-N 2.94Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 2.84Å; K56-S59 PolarHBondContact O-N 3.09Å
57V96.3Very high87.2Confident10 Ų1056.5 Ų56.56%0.06131%0.305CS..Hα-helixtrans-60.8-40.1177.3167.90000110.8F11 Q53 I54 S59 L288 M291 M293F11-V57 HydrophobicContact CD2-CG1 4.34Å; F11-V57 WeakPolarHBondContact CD2-O 3.37Å; F11-V57 HydrophobicContact CE2-CG1 4.09Å; Q53-V57 WeakPolarHBondContact O-CG2 3.33Å; Q53-V57 PolarHBondContact O-N 3.43Å; I54-V57 PolarHBondContact O-N 3.45Å; V57-S59 PolarHBondContact O-N 2.76Å; V57-L288 HydrophobicContact CG1-CD2 4.06Å; V57-M291 HydrophobicContact CG1-CB 4.27Å; V57-M291 HydrophobicContact CG1-CE 4.35Å; V57-M291 HydrophobicContact CG2-CB 4.27Å; V57-M293 HydrophobicContact CB-CG 4.44Å; V57-M293 HydrophobicContact CB-SD 4.35Å; V57-M293 HydrophobicContact CG1-SD 4.21Å; V57-M293 HydrophobicContact CG2-CB 3.87Å; V57-M293 HydrophobicContact CG2-CG 3.9Å; V57-M293 HydrophobicContact CG2-SD 4.45Å
58L94.6Very high86.8Confident2 Ų256.9 Ų56.91%0.0131%0.311CS..THydrogen-bonded Turntrans-75-0175.2-65.5175.6000114.2F11 L39 S40 I54 A55 K56 L60F11-L58 HydrophobicContact CD2-CD2 4.3Å; F11-L58 HydrophobicContact CE2-CD2 4.37Å; F11-L58 HydrophobicContact CG-CD2 4.37Å; L39-L58 HydrophobicContact CB-CD1 3.95Å; L39-L58 HydrophobicContact CB-CD2 3.96Å; L39-L58 HydrophobicContact CB-CG 4.35Å; L39-L58 HydrophobicContact CD1-CD2 3.97Å; S40-L58 WeakPolarHBondContact OG-CD1 3.29Å; I54-L58 HydrophobicContact CG2-CD1 3.84Å; I54-L58 HydrophobicContact CG2-CG 4.43Å; I54-L58 WeakPolarHBondContact O-CB 3.39Å; I54-L58 WeakPolarHBondContact O-CG 3.41Å; I54-L58 PolarHBondContact O-N 3.27Å; A55-L58 CarbonylContact O-C 3.52Å; A55-L58 PolarHBondContact O-N 2.87Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 2.84Å; L58-L60 HydrophobicContact CB-CD1 3.79Å; L58-L60 HydrophobicContact CB-CG 3.74Å; L58-L60 HydrophobicContact CD1-CD1 3.87Å; L58-L60 PolarHBondContact O-N 3.12Å
59S93.3Very high86.6Confident46 Ų4655.2 Ų55.232%0.32229%0.294SS..THydrogen-bonded Turntrans55.629.9-176.2-550000113.4A7 T10 A55 K56 V57A7-S59 VanDerWaalsContact CB-O 3.28Å; A7-S59 WeakPolarHBondContact CB-O 3.19Å; T10-S59 WeakPolarHBondContact CG2-OG 3.41Å; A55-S59 PolarHBondContact O-N 2.99Å; A55-S59 VanDerWaalsContact O-N 3.14Å; K56-S59 PolarHBondContact O-N 3.09Å; V57-S59 PolarHBondContact O-N 2.76Å
60L89.4Confident86.3Confident21 Ų2151.1 Ų51.111%0.1127%0.272CS..  trans-85.6130.4179.3-64.5172.9000110.2L4 A7 L43 A55 L58 A66L4-L60 HydrophobicContact CD1-CD2 3.99Å; A7-L60 HydrophobicContact CB-CD2 3.83Å; L43-L60 HydrophobicContact CD2-CD1 3.79Å; A55-L60 HydrophobicContact CB-CB 4.48Å; A55-L60 PolarHBondContact O-N 3.19Å; L58-L60 HydrophobicContact CB-CD1 3.79Å; L58-L60 HydrophobicContact CB-CG 3.74Å; L58-L60 HydrophobicContact CD1-CD1 3.87Å; L58-L60 PolarHBondContact O-N 3.12Å; L60-A66 HydrophobicContact CD1-CB 3.77Å; L60-A66 HydrophobicContact CD2-CB 3.85Å; L60-A66 HydrophobicContact CG-CB 4.43Å
61S74.7Confident86Confident97 Ų9753.7 Ų53.768%0.67828%0.284SS*.SBendtrans-73.6-34.2175.954.10000112.7
62K67Low85.7Confident138 Ų13853.3 Ų53.360%0.629%0.288SS*.  trans-146.8135.2172-65.8-176.6-177.6175.10110.3Q64 D65K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 2.9Å; K62-D65 PolarHBondContact O-N 2.98Å
63A63.3Low85.4Confident15 Ų1549.2 Ų49.212%0.12426%0.263CS..THydrogen-bonded Turntrans-59.8-41.8178.800000112.6L43 D65 A66L43-A63 HydrophobicContact CD1-CB 4.35Å; L43-A63 HydrophobicContact CD2-CB 3.65Å; L43-A63 HydrophobicContact CG-CB 3.93Å; A63-D65 VanDerWaalsContact C-N 3.29Å; A63-D65 PolarHBondContact O-N 3.09Å; A63-A66 WeakPolarHBondContact O-CB 3.41Å; A63-A66 PolarHBondContact O-N 2.83Å
64Q62.5Low85Confident163 Ų16348.1 Ų48.176%0.76226%0.257SS*.Hα-helixtrans-65.3-26.5-174.7-112.9158.6-7.100114.5K62K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 2.9Å
65D64Low84.6Confident108 Ų10851 Ų5158%0.57828%0.277SS*.Hα-helixtrans-85-12.1-179.1-64.8-31.2000112.5K62 A63K62-D65 PolarHBondContact O-N 2.98Å; A63-D65 VanDerWaalsContact C-N 3.29Å; A63-D65 PolarHBondContact O-N 3.09Å
66A80.8Confident84.3Confident2 Ų253.4 Ų53.42%0.01729%0.287CS..Hα-helixtrans-80.5-38.4-177.500000112.9L4 L60 A63 G69 Y70L4-A66 HydrophobicContact CD1-CB 4.47Å; L60-A66 HydrophobicContact CD1-CB 3.77Å; L60-A66 HydrophobicContact CD2-CB 3.85Å; L60-A66 HydrophobicContact CG-CB 4.43Å; A63-A66 WeakPolarHBondContact O-CB 3.41Å; A63-A66 PolarHBondContact O-N 2.83Å; A66-G69 WeakPolarHBondContact O-CA 3.45Å; A66-G69 PolarHBondContact O-N 3.03Å; A66-G69 VanDerWaalsContact O-N 3.14Å; A66-Y70 HydrophobicContact CB-CD2 4.39Å; A66-Y70 HydrophobicContact CB-CE2 4.33Å; A66-Y70 VanDerWaalsContact O-CD2 3.31Å; A66-Y70 WeakPolarHBondContact O-CD2 3.29Å; A66-Y70 PolarHBondContact O-N 3Å
67H89.3Confident84Confident15 Ų1545.6 Ų45.67%0.06925%0.253CS..Hα-helixtrans-63.6-48.5-170.2-53.9-34.9000113S40 G69 Y70 Q71 F111 Y112S40-H67 PolarHBondContact O-CE1 2.66Å; H67-G69 PolarHBondContact O-N 3.34Å; H67-Y70 PolarHBondContact O-N 3.2Å; H67-Q71 PolarHBondContact O-N 3.37Å; H67-F111 HydrophobicContact CB-CB 4.32Å; H67-F111 HydrophobicContact CB-CD1 4.08Å; H67-F111 HydrophobicContact CB-CD2 4Å; H67-F111 HydrophobicContact CB-CE1 4.39Å; H67-F111 HydrophobicContact CB-CE2 4.32Å; H67-F111 HydrophobicContact CB-CG 3.88Å; H67-F111 HydrophobicContact CB-CZ 4.5Å; H67-Y112 PolarHBondContact CE1-OH 3.44Å; H67-Y112 AromaticContact ND1-CZ 3.79Å; H67-Y112 PolarHBondContact ND1-OH 3.43Å
68N87.6Confident83.4Confident88 Ų8847.8 Ų47.847%0.47126%0.264SS..Hα-helixtrans-63.9-33.6175.6-67.2-40.7000111.8S72 F111N68-S72 WeakPolarHBondContact O-CB 3.4Å; N68-S72 PolarHBondContact O-N 2.84Å; N68-S72 PolarHBondContact O-OG 2.91Å; N68-F111 VanDerWaalsContact OD1-CE1 3.27Å; N68-F111 WeakPolarHBondContact OD1-CE1 3.3Å
69G88.9Confident83Confident11 Ų1149.3 Ų49.311%0.11328%0.275CS..Hα-helixtrans-64.8-47.6175.500000111.9A66 H67 S72 L73A66-G69 WeakPolarHBondContact O-CA 3.45Å; A66-G69 PolarHBondContact O-N 3.03Å; A66-G69 VanDerWaalsContact O-N 3.14Å; H67-G69 PolarHBondContact O-N 3.34Å; G69-S72 PolarHBondContact O-N 2.71Å; G69-L73 WeakPolarHBondContact O-CB 3.4Å; G69-L73 PolarHBondContact O-N 3.25Å
70Y89.9Confident82.3Confident2 Ų253 Ų531%0.00830%0.298CS..Hα-helixtrans-64.8-39.3174.7-80.5-67.1000112.5L4 F33 S36 S40 A66 H67 S72 L73 L74 Y112L4-Y70 HydrophobicContact CD1-CD2 4.16Å; L4-Y70 HydrophobicContact CD1-CE1 4.4Å; L4-Y70 HydrophobicContact CD1-CE2 3.55Å; L4-Y70 HydrophobicContact CD2-CD1 4.3Å; L4-Y70 HydrophobicContact CD2-CD2 4.19Å; L4-Y70 HydrophobicContact CD2-CE1 4.42Å; L4-Y70 HydrophobicContact CD2-CE2 4.32Å; L4-Y70 HydrophobicContact CD2-CG 4.16Å; F33-Y70 HydrophobicContact CD2-CE1 4.36Å; F33-Y70 HydrophobicContact CE2-CD1 4.09Å; F33-Y70 HydrophobicContact CE2-CE1 4.29Å; S36-Y70 WeakPolarHBondContact CB-OH 3.32Å; S36-Y70 PolarHBondContact OG-OH 2.8Å; S40-Y70 WeakPolarHBondContact OG-CE2 3.35Å; A66-Y70 HydrophobicContact CB-CD2 4.39Å; A66-Y70 HydrophobicContact CB-CE2 4.33Å; A66-Y70 VanDerWaalsContact O-CD2 3.31Å; A66-Y70 WeakPolarHBondContact O-CD2 3.29Å; A66-Y70 PolarHBondContact O-N 3Å; H67-Y70 PolarHBondContact O-N 3.2Å; Y70-S72 VanDerWaalsContact C-N 3.31Å; Y70-S72 PolarHBondContact O-N 3.06Å; Y70-L73 PolarHBondContact O-N 2.6Å; Y70-L74 VanDerWaalsContact O-CB 3.23Å; Y70-L74 WeakPolarHBondContact O-CB 3.47Å; Y70-L74 WeakPolarHBondContact O-CG 3.46Å; Y70-L74 PolarHBondContact O-N 3.36Å; Y70-Y112 AromaticContact CD2-CE1 3.95Å; Y70-Y112 HydrophobicContact CD2-CE1 3.95Å; Y70-Y112 AromaticContact CG-CE1 3.92Å; Y70-Y112 HydrophobicContact CG-CE1 3.92Å
71Q90.3Very high82Confident54 Ų5458.2 Ų58.225%0.25233%0.326SS..Hα-helixtrans-57.5-47.4175.5-172.6-175.723.300111.4H67 S75 K110 F111H67-Q71 PolarHBondContact O-N 3.37Å; Q71-S75 WeakPolarHBondContact O-CB 3.45Å; Q71-S75 PolarHBondContact O-N 3.35Å; Q71-S75 VanDerWaalsContact O-N 3.07Å; Q71-S75 PolarHBondContact O-OG 2.98Å; Q71-K110 PolarHBondContact NE2-O 3.33Å; Q71-F111 VanDerWaalsContact CA-O 3.22Å; Q71-F111 WeakPolarHBondContact CA-O 3.48Å; Q71-F111 HydrophobicContact CB-CD1 4.17Å; Q71-F111 PolarHBondContact N-O 3.39Å
72S89.6Confident82.3Confident53 Ų5355 Ų5537%0.37130%0.302SS..Hα-helixtrans-65.2-44.6178.8-55.20000111.2N68 G69 Y70 S75 E76N68-S72 WeakPolarHBondContact O-CB 3.4Å; N68-S72 PolarHBondContact O-N 2.84Å; N68-S72 PolarHBondContact O-OG 2.91Å; G69-S72 PolarHBondContact O-N 2.71Å; Y70-S72 VanDerWaalsContact C-N 3.31Å; Y70-S72 PolarHBondContact O-N 3.06Å; S72-S75 PolarHBondContact O-N 3.49Å; S72-E76 WeakPolarHBondContact O-CB 2.94Å; S72-E76 PolarHBondContact O-N 3.03Å
73L88.9Confident83.2Confident5 Ų554.3 Ų54.33%0.02630%0.299CS..Hα-helixtrans-66.6-45.4-179.1-17757.7000112F33 G69 Y70 S75 E76 I77 T367 S369F33-L73 HydrophobicContact CD2-CD2 3.6Å; F33-L73 HydrophobicContact CD2-CG 4.23Å; F33-L73 HydrophobicContact CE2-CB 4.45Å; F33-L73 HydrophobicContact CE2-CD2 3.47Å; F33-L73 VanDerWaalsContact CE2-CD2 3.47Å; F33-L73 HydrophobicContact CE2-CG 3.69Å; G69-L73 WeakPolarHBondContact O-CB 3.4Å; G69-L73 PolarHBondContact O-N 3.25Å; Y70-L73 PolarHBondContact O-N 2.6Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.43Å; L73-E76 PolarHBondContact O-N 2.94Å; L73-I77 HydrophobicContact CD1-CG2 3.91Å; L73-I77 HydrophobicContact CG-CG2 4.49Å; L73-I77 WeakPolarHBondContact O-CG1 3.29Å; L73-I77 WeakPolarHBondContact O-CG2 3.44Å; L73-I77 PolarHBondContact O-N 2.79Å; L73-T367 HydrophobicContact CD1-CG2 3.95Å; L73-S369 WeakPolarHBondContact CD1-OG 3.34Å
74L88.6Confident84.2Confident3 Ų354.2 Ų54.22%0.01630%0.296CS..Hα-helixtrans-60.4-39.8175.9-81.4164.1000112F33 Y70 E76 N78 Y112F33-L74 HydrophobicContact CE1-CD2 4.02Å; F33-L74 HydrophobicContact CZ-CD2 3.49Å; F33-L74 VanDerWaalsContact CZ-CD2 3.49Å; F33-L74 HydrophobicContact CZ-CG 3.83Å; Y70-L74 VanDerWaalsContact O-CB 3.23Å; Y70-L74 WeakPolarHBondContact O-CB 3.47Å; Y70-L74 WeakPolarHBondContact O-CG 3.46Å; Y70-L74 PolarHBondContact O-N 3.36Å; L74-E76 VanDerWaalsContact C-N 3.34Å; L74-N78 VanDerWaalsContact O-CB 3.29Å; L74-N78 WeakPolarHBondContact O-CB 3.41Å; L74-N78 PolarHBondContact O-N 3.08Å; L74-N78 PolarHBondContact O-ND2 2.85Å; L74-Y112 HydrophobicContact CD1-CD1 4.2Å
75S88.4Confident85.3Confident60 Ų6048.5 Ų48.542%0.4227%0.272SS..Hα-helixtrans-67.2-37.3177.4-59.80000111.9Q71 S72 L73 S79Q71-S75 WeakPolarHBondContact O-CB 3.45Å; Q71-S75 PolarHBondContact O-N 3.35Å; Q71-S75 VanDerWaalsContact O-N 3.07Å; Q71-S75 PolarHBondContact O-OG 2.98Å; S72-S75 PolarHBondContact O-N 3.49Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.43Å; S75-S79 PolarHBondContact O-N 2.83Å
76E89.1Confident86.3Confident64 Ų6443.8 Ų43.830%0.29925%0.247SC..Hα-helixtrans-69.2-51.1177.6-173.170.5-14200111.4S72 L73 L74 S79 K366 T367S72-E76 WeakPolarHBondContact O-CB 2.94Å; S72-E76 PolarHBondContact O-N 3.03Å; L73-E76 PolarHBondContact O-N 2.94Å; L74-E76 VanDerWaalsContact C-N 3.34Å; E76-S79 VanDerWaalsContact O-CB 3.31Å; E76-S79 WeakPolarHBondContact O-CB 3.3Å; E76-S79 PolarHBondContact O-N 2.9Å; E76-K366 HydrophobicContact CG-CD 4.25Å; E76-K366 WeakPolarHBondContact OE1-CD 3.38Å; E76-K366 WeakPolarHBondContact OE1-CE 3.31Å; E76-K366 IonicContact OE1-NZ 2.76Å; E76-K366 PolarHBondContact OE1-NZ 3.07Å; E76-K366 IonicContact OE2-NZ 3.73Å; E76-K366 PolarHBondContact OE2-NZ 2.83Å; E76-T367 HydrophobicContact CG-CG2 4.45Å
77I87.8Confident86.6Confident1 Ų148 Ų481%0.00526%0.262CS..Hα-helixtrans-77.2-23.9-173.671-178.6000114F33 L73 Y84 L86 L371F33-I77 HydrophobicContact CD1-CD1 3.88Å; F33-I77 HydrophobicContact CE1-CD1 3.12Å; F33-I77 HydrophobicContact CE2-CD1 3.88Å; F33-I77 HydrophobicContact CZ-CD1 3.11Å; F33-I77 HydrophobicContact CZ-CG1 4.4Å; L73-I77 HydrophobicContact CD1-CG2 3.91Å; L73-I77 HydrophobicContact CG-CG2 4.49Å; L73-I77 WeakPolarHBondContact O-CG1 3.29Å; L73-I77 WeakPolarHBondContact O-CG2 3.44Å; L73-I77 PolarHBondContact O-N 2.79Å; I77-Y84 WeakPolarHBondContact CA-OH 3.33Å; I77-Y84 PolarHBondContact O-OH 2.87Å; I77-L86 HydrophobicContact CB-CD2 4.31Å; I77-L86 HydrophobicContact CD1-CD2 4.04Å; I77-L86 HydrophobicContact CG1-CD2 4.15Å; I77-L371 HydrophobicContact CD1-CD2 4.37Å; I77-L371 HydrophobicContact CG2-CD2 4.32Å
78N84.1Confident86.4Confident55 Ų5549.1 Ų49.129%0.29427%0.27SS..THydrogen-bonded Turntrans-101.617.3176-60.2-63.7000111.7L74L74-N78 VanDerWaalsContact O-CB 3.29Å; L74-N78 WeakPolarHBondContact O-CB 3.41Å; L74-N78 PolarHBondContact O-N 3.08Å; L74-N78 PolarHBondContact O-ND2 2.85Å
79S84.9Confident86.3Confident34 Ų3445 Ų4524%0.23825%0.248CC..  trans-56.6133.8174.8172.30000109.8S75 E76 N81 T82S75-S79 PolarHBondContact O-N 2.83Å; E76-S79 VanDerWaalsContact O-CB 3.31Å; E76-S79 WeakPolarHBondContact O-CB 3.3Å; E76-S79 PolarHBondContact O-N 2.9Å; S79-N81 PolarHBondContact O-N 2.85Å; S79-N81 PolarHBondContact OG-N 2.97Å; S79-T82 WeakPolarHBondContact O-CG2 3.24Å; S79-T82 PolarHBondContact O-N 3.47Å; S79-T82 PolarHBondContact O-OG1 3.08Å; S79-T82 VanDerWaalsContact O-OG1 3.08Å
80P79.8Confident86.3Confident125 Ų12545.3 Ų45.381%0.81225%0.247SC*.THydrogen-bonded Turntrans-66.7-9.6-178.828.6-36.1000113.4
81N81.9Confident86.4Confident129 Ų12947.8 Ų47.869%0.6926%0.257SS*.THydrogen-bonded Turntrans-90.7-3.9-179.3-64.5-31.2000113.5S79S79-N81 PolarHBondContact O-N 2.85Å; S79-N81 PolarHBondContact OG-N 2.97Å
82T82.7Confident86.6Confident30 Ų3045.2 Ų45.218%0.18425%0.245CC..  trans-65.6152.2179.657.90000111.3S79 Y84 E225S79-T82 WeakPolarHBondContact O-CG2 3.24Å; S79-T82 PolarHBondContact O-N 3.47Å; S79-T82 PolarHBondContact O-OG1 3.08Å; S79-T82 VanDerWaalsContact O-OG1 3.08Å; T82-Y84 HydrophobicContact CG2-CD1 4.45Å; T82-Y84 HydrophobicContact CG2-CE1 3.66Å; T82-Y84 HydrophobicContact CG2-CE2 4.39Å; T82-Y84 PolarHBondContact OG1-O 3.33Å; T82-E225 WeakPolarHBondContact CA-OE2 3.28Å
83K84.3Confident86.9Confident123 Ų12342.8 Ų42.854%0.53523%0.227SC..SBendtrans-92.3-1.6178.6-60.6-55.7-173-1780113.9V222 D223 E225K83-V222 HydrophobicContact CB-CB 4.22Å; K83-V222 HydrophobicContact CB-CG1 3.79Å; K83-V222 HydrophobicContact CG-CG1 3.91Å; K83-D223 VanDerWaalsContact CE-OD2 3.32Å; K83-D223 WeakPolarHBondContact CE-OD2 3.36Å; K83-D223 WeakPolarHBondContact CG-OD2 3.49Å; K83-E225 PolarHBondContact N-OE2 2.94Å
84Y85.2Confident87.3Confident13 Ų1342.5 Ų42.55%0.05123%0.226CC..SBendtrans-109.6156.5177.158.3-91.7000111.4I77 T82 L86 F167 E225 L226I77-Y84 WeakPolarHBondContact CA-OH 3.33Å; I77-Y84 PolarHBondContact O-OH 2.87Å; T82-Y84 HydrophobicContact CG2-CD1 4.45Å; T82-Y84 HydrophobicContact CG2-CE1 3.66Å; T82-Y84 HydrophobicContact CG2-CE2 4.39Å; T82-Y84 PolarHBondContact OG1-O 3.33Å; Y84-L86 HydrophobicContact CD2-CB 3.88Å; Y84-L86 HydrophobicContact CE2-CB 3.77Å; Y84-L86 HydrophobicContact CE2-CD2 4.28Å; Y84-F167 HydrophobicContact CD2-CE2 4.31Å; Y84-F167 HydrophobicContact CG-CE2 4.39Å; Y84-E225 HydrophobicContact CD1-CB 4.24Å; Y84-E225 WeakPolarHBondContact CD1-OE2 2.91Å; Y84-E225 HydrophobicContact CE1-CB 3.92Å; Y84-E225 WeakPolarHBondContact CE1-OE2 3.36Å; Y84-L226 HydrophobicContact CD1-CD1 3.63Å; Y84-L226 HydrophobicContact CD1-CG 3.85Å; Y84-L226 HydrophobicContact CD2-CD1 3.75Å; Y84-L226 HydrophobicContact CE1-CD1 3.85Å; Y84-L226 HydrophobicContact CE1-CD2 4.21Å; Y84-L226 HydrophobicContact CE1-CG 3.77Å; Y84-L226 HydrophobicContact CE2-CD1 3.96Å; Y84-L226 HydrophobicContact CG-CD1 3.55Å; Y84-L226 HydrophobicContact CG-CG 4.3Å
85V84.6Confident87.6Confident44 Ų4442.4 Ų42.427%0.26723%0.225SC..EExtended strand (participates in β ladder)trans-96.2107.9172.41800000108.1R87 Y166 F167 K168V85-R87 HydrophobicContact CG1-CG 4.08Å; V85-Y166 HydrophobicContact CG1-CD1 4.27Å; V85-Y166 HydrophobicContact CG1-CE1 3.78Å; V85-F167 WeakPolarHBondContact O-CA 3.27Å; V85-K168 HydrophobicContact CB-CB 4.26Å; V85-K168 PolarHBondContact N-O 2.87Å; V85-K168 PolarHBondContact O-N 2.96Å
86L86.7Confident88Confident9 Ų944.2 Ų44.25%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-113.2125.1165.3-167.267.6000107.9I77 Y84 I165 F167 F372I77-L86 HydrophobicContact CB-CD2 4.31Å; I77-L86 HydrophobicContact CD1-CD2 4.04Å; I77-L86 HydrophobicContact CG1-CD2 4.15Å; Y84-L86 HydrophobicContact CD2-CB 3.88Å; Y84-L86 HydrophobicContact CE2-CB 3.77Å; Y84-L86 HydrophobicContact CE2-CD2 4.28Å; L86-I165 HydrophobicContact CD1-CD1 3.99Å; L86-I165 HydrophobicContact CD1-CG1 4.11Å; L86-F167 HydrophobicContact CD1-CB 4.17Å; L86-F167 HydrophobicContact CD1-CD2 4.23Å; L86-F372 HydrophobicContact CD1-CE2 3.76Å; L86-F372 HydrophobicContact CD1-CZ 3.68Å
87R85.8Confident88.2Confident89 Ų8945.6 Ų45.634%0.33624%0.239SC..EExtended strand (participates in β ladder)trans-124.3120.1174.5-63.8-64.2179-96.4-4.6108.9V85 E141 I165 Y166V85-R87 HydrophobicContact CG1-CG 4.08Å; R87-E141 IonicContact CZ-OE1 2.65Å; R87-E141 VanDerWaalsContact CZ-OE1 3.25Å; R87-E141 IonicContact NE-OE1 3.67Å; R87-E141 PolarHBondContact NE-OE1 3.28Å; R87-E141 IonicContact NH2-OE1 3.42Å; R87-E141 PolarHBondContact NH2-OE1 3.19Å; R87-I165 VanDerWaalsContact O-CA 3.31Å; R87-I165 WeakPolarHBondContact O-CA 3.39Å; R87-Y166 HydrophobicContact CB-CD1 4.17Å; R87-Y166 HydrophobicContact CG-CD1 4.07Å; R87-Y166 PolarHBondContact N-O 3.02Å; R87-Y166 PolarHBondContact O-N 2.89Å
88T85.1Confident88.4Confident40 Ų4046.4 Ų46.425%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-113132176.350.90000109.3A164 I165T88-A164 CarbonylContact C-O 3.57Å; T88-I165 HydrophobicContact CG2-CB 4.43Å; T88-I165 HydrophobicContact CG2-CD1 3.67Å; T88-I165 HydrophobicContact CG2-CG1 3.78Å
89A85.8Confident88.9Confident1 Ų151.2 Ų51.21%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-121.384.8172.900000107.3W135 K139 T140 A164A89-W135 HydrophobicContact CB-CE3 4.49Å; A89-W135 HydrophobicContact CB-CH2 3.99Å; A89-W135 HydrophobicContact CB-CZ3 3.75Å; A89-K139 HydrophobicContact CB-CB 3.67Å; A89-K139 HydrophobicContact CB-CG 4.42Å; A89-T140 HydrophobicContact CB-CG2 4.11Å; A89-A164 HydrophobicContact CB-CB 4.21Å; A89-A164 PolarHBondContact N-O 3.15Å; A89-A164 PolarHBondContact O-N 2.85Å
90N88.2Confident89.4Confident17 Ų1751.1 Ų51.19%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-112.2119.2-177.6-62.6-15.3000108.5S34 A114 V162 N163S34-N90 PolarHBondContact OG-ND2 3.41Å; S34-N90 VanDerWaalsContact OG-ND2 3.15Å; S34-N90 PolarHBondContact OG-OD1 3.07Å; N90-A114 WeakPolarHBondContact O-CB 3.49Å; N90-V162 WeakPolarHBondContact CA-O 3.42Å; N90-N163 VanDerWaalsContact OD1-CG 3.28Å; N90-N163 PolarHBondContact OD1-ND2 2.87Å
91R92.6Very high90.1Very high55 Ų5547.6 Ų47.621%0.20823%0.232CC..EExtended strand (participates in β ladder)trans-154.3148.4-179.1-180167.2-74-179.83.9112Y93 E117 W135 V162R91-Y93 HydrophobicContact CB-CE2 3.87Å; R91-Y93 VanDerWaalsContact CD-CZ 3.4Å; R91-Y93 WeakPolarHBondContact CD-OH 3.36Å; R91-Y93 HydrophobicContact CG-CD2 4.19Å; R91-Y93 HydrophobicContact CG-CE1 4.27Å; R91-Y93 HydrophobicContact CG-CE2 3.74Å; R91-E117 IonicContact CZ-OE2 2.79Å; R91-E117 IonicContact NH1-OE2 2.64Å; R91-E117 PolarHBondContact NH1-OE2 3.33Å; R91-W135 HydrophobicContact CB-CH2 3.55Å; R91-W135 HydrophobicContact CB-CZ2 4.23Å; R91-W135 HydrophobicContact CB-CZ3 3.79Å; R91-W135 VanDerWaalsContact CZ-CZ2 3.43Å; R91-W135 VanDerWaalsContact CZ-NE1 3.34Å; R91-W135 VanDerWaalsContact NH1-NE1 3.14Å; R91-V162 PolarHBondContact N-O 2.99Å; R91-V162 PolarHBondContact O-N 3.14Å
92L94.8Very high90.7Very high0 Ų045.1 Ų45.10%023%0.225CC..EExtended strand (participates in β ladder)trans-95.2133.9166.1-68.5171.2000110.4M41 I42 F104 G115 L116 E117 L159 L161M41-L92 HydrophobicContact CE-CD1 3.79Å; M41-L92 HydrophobicContact CE-CD2 3.96Å; M41-L92 HydrophobicContact CE-CG 3.48Å; M41-L92 VanDerWaalsContact CE-CG 3.48Å; M41-L92 HydrophobicContact CG-CD1 4.02Å; M41-L92 HydrophobicContact SD-CD1 3.88Å; M41-L92 HydrophobicContact SD-CG 4.06Å; I42-L92 HydrophobicContact CD1-CD1 3.95Å; I42-L92 HydrophobicContact CD1-CD2 3.33Å; I42-L92 HydrophobicContact CD1-CG 4.3Å; I42-L92 HydrophobicContact CG1-CD2 4.23Å; L92-F104 HydrophobicContact CD1-CE1 3.85Å; L92-F104 HydrophobicContact CD1-CZ 3.61Å; L92-G115 PolarHBondContact N-O 3.44Å; L92-L116 HydrophobicContact CB-CB 4.35Å; L92-L116 HydrophobicContact CB-CD1 4.32Å; L92-L116 HydrophobicContact CB-CG 4.25Å; L92-L116 CarbonylContact O-C 3.6Å; L92-L116 WeakPolarHBondContact O-CA 3.48Å; L92-E117 PolarHBondContact O-N 2.87Å; L92-L159 HydrophobicContact CB-CD1 4.36Å; L92-L159 HydrophobicContact CD2-CD1 4.37Å; L92-L161 HydrophobicContact CD2-CB 3.88Å; L92-L161 HydrophobicContact CD2-CD1 3.56Å; L92-L161 HydrophobicContact CD2-CG 4.26Å; L92-L161 HydrophobicContact CG-CD1 4.31Å
93Y96.5Very high91.2Very high1 Ų147 Ų470%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-113.9115.1171.3-65.7-86.7000108.9R91 E117 I132 L159 V160 V162R91-Y93 HydrophobicContact CB-CE2 3.87Å; R91-Y93 VanDerWaalsContact CD-CZ 3.4Å; R91-Y93 WeakPolarHBondContact CD-OH 3.36Å; R91-Y93 HydrophobicContact CG-CD2 4.19Å; R91-Y93 HydrophobicContact CG-CE1 4.27Å; R91-Y93 HydrophobicContact CG-CE2 3.74Å; Y93-E117 CarbonylContact C-O 3.49Å; Y93-E117 VanDerWaalsContact CA-O 3.31Å; Y93-E117 WeakPolarHBondContact CA-O 3.45Å; Y93-E117 HydrophobicContact CD1-CB 3.87Å; Y93-E117 HydrophobicContact CD1-CG 4.24Å; Y93-E117 HydrophobicContact CE1-CB 3.93Å; Y93-E117 HydrophobicContact CE1-CG 4.19Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.35Å; Y93-I132 HydrophobicContact CD1-CD1 4.05Å; Y93-I132 HydrophobicContact CD1-CG1 3.73Å; Y93-I132 HydrophobicContact CD2-CD1 4.07Å; Y93-I132 HydrophobicContact CD2-CG1 4.02Å; Y93-I132 HydrophobicContact CD2-CG2 4.33Å; Y93-I132 HydrophobicContact CE1-CD1 4.42Å; Y93-I132 HydrophobicContact CE1-CG1 3.61Å; Y93-I132 HydrophobicContact CE2-CB 4.41Å; Y93-I132 HydrophobicContact CE2-CD1 4.43Å; Y93-I132 HydrophobicContact CE2-CG1 3.91Å; Y93-I132 HydrophobicContact CE2-CG2 3.79Å; Y93-I132 HydrophobicContact CG-CD1 3.84Å; Y93-I132 HydrophobicContact CG-CG1 3.91Å; Y93-L159 CarbonylContact O-C 3.51Å; Y93-L159 WeakPolarHBondContact O-CA 3.32Å; Y93-V160 PolarHBondContact N-O 2.98Å; Y93-V160 PolarHBondContact O-N 2.77Å; Y93-V162 HydrophobicContact CD2-CB 4.24Å; Y93-V162 HydrophobicContact CD2-CG2 3.95Å; Y93-V162 HydrophobicContact CE2-CB 3.97Å; Y93-V162 HydrophobicContact CE2-CG1 4.43Å; Y93-V162 HydrophobicContact CE2-CG2 3.93Å
94G96.1Very high91.7Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-106.9144-179.500000111.4K96 E117 Q118 T119 R158G94-K96 PolarHBondContact O-N 3.05Å; G94-E117 PolarHBondContact N-O 3.2Å; G94-Q118 CarbonylContact O-C 3.23Å; G94-Q118 VanDerWaalsContact O-CA 3.3Å; G94-Q118 WeakPolarHBondContact O-CA 3.38Å; G94-T119 PolarHBondContact O-N 3.34Å; G94-R158 CarbonylContact C-O 3.59Å; G94-R158 WeakPolarHBondContact CA-O 3.49Å
95E96.2Very high92Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-60.8130.5172.2174.255-135.500110.3T97 F98 T119 F121 V122 R158E95-T97 HydrophobicContact CG-CG2 4.33Å; E95-T97 WeakPolarHBondContact CG-OG1 3.32Å; E95-T97 PolarHBondContact O-N 2.88Å; E95-T97 VanDerWaalsContact O-N 3.08Å; E95-F98 HydrophobicContact CB-CD2 3.8Å; E95-F98 HydrophobicContact CB-CE2 4.04Å; E95-F98 HydrophobicContact CG-CD2 4.07Å; E95-F98 HydrophobicContact CG-CE2 4.17Å; E95-F98 PolarHBondContact O-N 3.47Å; E95-F98 VanDerWaalsContact O-N 3.09Å; E95-T119 CarbonylContact C-O 3.48Å; E95-T119 WeakPolarHBondContact CA-O 3.33Å; E95-F121 HydrophobicContact CB-CD2 4.16Å; E95-F121 VanDerWaalsContact OE2-CA 3.23Å; E95-F121 WeakPolarHBondContact OE2-CA 3.41Å; E95-F121 WeakPolarHBondContact OE2-CB 3.39Å; E95-F121 PolarHBondContact OE2-N 3.35Å; E95-V122 HydrophobicContact CG-CG2 3.95Å; E95-V122 PolarHBondContact OE2-N 2.82Å; E95-V122 VanDerWaalsContact OE2-N 3.08Å; E95-R158 PolarHBondContact N-O 2.82Å
96K95.1Very high92.5Very high98 Ų9847 Ų4743%0.42624%0.242SC..THydrogen-bonded Turntrans-62.6-18.4-173.364.4169.6179.9-170.90114.5G94 F98 Q118 T119 D120G94-K96 PolarHBondContact O-N 3.05Å; K96-F98 PolarHBondContact O-N 3.19Å; K96-Q118 HydrophobicContact CB-CB 4.19Å; K96-T119 PolarHBondContact N-O 3.48Å; K96-D120 HydrophobicContact CD-CB 3.86Å; K96-D120 WeakPolarHBondContact CE-OD1 3.43Å; K96-D120 WeakPolarHBondContact CE-OD2 3.45Å; K96-D120 HydrophobicContact CG-CB 4.37Å; K96-D120 IonicContact NZ-OD1 2.77Å; K96-D120 IonicContact NZ-OD2 3.52Å; K96-D120 PolarHBondContact NZ-OD2 3.29Å
97T93.3Very high92.8Very high93 Ų9348.2 Ų48.257%0.57125%0.252SS*.THydrogen-bonded Turntrans-73.1-11.3177.4650000113E95E95-T97 HydrophobicContact CG-CG2 4.33Å; E95-T97 WeakPolarHBondContact CG-OG1 3.32Å; E95-T97 PolarHBondContact O-N 2.88Å; E95-T97 VanDerWaalsContact O-N 3.08Å
98F93.4Very high93.1Very high18 Ų1844 Ų448%0.07924%0.236CC..SBendtrans-92.1140.6178.1-70.3-96.7000111.8E95 K96 F100 Q118 R158 E312 L313E95-F98 HydrophobicContact CB-CD2 3.8Å; E95-F98 HydrophobicContact CB-CE2 4.04Å; E95-F98 HydrophobicContact CG-CD2 4.07Å; E95-F98 HydrophobicContact CG-CE2 4.17Å; E95-F98 PolarHBondContact O-N 3.47Å; E95-F98 VanDerWaalsContact O-N 3.09Å; K96-F98 PolarHBondContact O-N 3.19Å; F98-F100 HydrophobicContact CB-CE1 4.22Å; F98-F100 HydrophobicContact CB-CE2 3.92Å; F98-F100 HydrophobicContact CB-CZ 3.69Å; F98-F100 WeakPolarHBondContact O-CD2 3.44Å; F98-F100 PolarHBondContact O-N 3.15Å; F98-Q118 PolarHBondContact O-NE2 2.81Å; F98-R158 VanDerWaalsContact CE2-CD 3.45Å; F98-E312 HydrophobicContact CE1-CB 4.16Å; F98-E312 HydrophobicContact CZ-CB 4.21Å; F98-L313 HydrophobicContact CD1-CB 4.38Å; F98-L313 HydrophobicContact CD1-CD1 4.07Å; F98-L313 HydrophobicContact CE1-CB 4.21Å; F98-L313 HydrophobicContact CE1-CD1 4.25Å; F98-L313 HydrophobicContact CG-CD1 4.2Å
99E93.9Very high93.4Very high156 Ų15647 Ų4773%0.72925%0.247SC*.  trans-89.3102.4172-66.7-173.4172.300110S308 S309E99-S308 WeakPolarHBondContact O-CA 3.36Å; E99-S308 PolarHBondContact O-OG 2.89Å; E99-S309 PolarHBondContact O-N 3.28Å
100F95Very high93.6Very high32 Ų3252.4 Ų52.414%0.1427%0.27CS..BIsolated β-bridgetrans-80135.4178.6-62.7-73.1000111.5F98 S102 T105 L116 Q118 I307 L313F98-F100 HydrophobicContact CB-CE1 4.22Å; F98-F100 HydrophobicContact CB-CE2 3.92Å; F98-F100 HydrophobicContact CB-CZ 3.69Å; F98-F100 WeakPolarHBondContact O-CD2 3.44Å; F98-F100 PolarHBondContact O-N 3.15Å; F100-S102 PolarHBondContact O-N 2.83Å; F100-T105 HydrophobicContact CB-CG2 4.47Å; F100-L116 HydrophobicContact CB-CD1 4.49Å; F100-L116 HydrophobicContact CB-CD2 4.25Å; F100-L116 HydrophobicContact CD1-CD1 3.45Å; F100-L116 VanDerWaalsContact CD1-CD1 3.45Å; F100-L116 HydrophobicContact CD1-CD2 4.07Å; F100-L116 HydrophobicContact CD1-CG 4.45Å; F100-L116 HydrophobicContact CD2-CD1 4.41Å; F100-L116 HydrophobicContact CD2-CD2 3.49Å; F100-L116 VanDerWaalsContact CD2-CD2 3.49Å; F100-L116 HydrophobicContact CE1-CD1 3.72Å; F100-L116 HydrophobicContact CE1-CD2 4.36Å; F100-L116 HydrophobicContact CE2-CD2 3.83Å; F100-L116 HydrophobicContact CG-CD1 3.85Å; F100-L116 HydrophobicContact CG-CD2 3.63Å; F100-L116 HydrophobicContact CG-CG 4.43Å; F100-L116 HydrophobicContact CZ-CD1 4.32Å; F100-L116 HydrophobicContact CZ-CD2 4.26Å; F100-Q118 HydrophobicContact CD2-CG 3.73Å; F100-Q118 HydrophobicContact CE2-CG 3.75Å; F100-I307 WeakPolarHBondContact CA-O 3.33Å; F100-I307 HydrophobicContact CD1-CG2 3.79Å; F100-I307 HydrophobicContact CE1-CG2 4.07Å; F100-L313 HydrophobicContact CE1-CD1 4.33Å; F100-L313 HydrophobicContact CE1-CD2 4.22Å
101L95.1Very high93.7Very high52 Ų5252.7 Ų52.727%0.27227%0.271SS..  trans-70.2129.4-179.2-64.8179.1000110.7S103 F104 T105 I307 S309L101-S103 VanDerWaalsContact C-N 3.26Å; L101-S103 PolarHBondContact O-N 3.32Å; L101-F104 HydrophobicContact CB-CB 4.24Å; L101-F104 WeakPolarHBondContact O-CB 3.41Å; L101-F104 PolarHBondContact O-N 3.46Å; L101-T105 PolarHBondContact O-N 2.96Å; L101-T105 VanDerWaalsContact O-N 3.14Å; L101-I307 PolarHBondContact N-O 2.7Å; L101-S309 WeakPolarHBondContact CD2-OG 3.26Å
102S93.6Very high93.6Very high77 Ų7750.5 Ų50.554%0.53826%0.262SS..Hα-helixtrans-58.5-40.8177.660.80000111.6F100 F104 T105 E106F100-S102 PolarHBondContact O-N 2.83Å; S102-F104 PolarHBondContact O-N 3.27Å; S102-T105 WeakPolarHBondContact CA-OG1 3.48Å; S102-T105 PolarHBondContact O-N 3.2Å; S102-T105 VanDerWaalsContact O-N 3.1Å; S102-T105 PolarHBondContact O-OG1 2.84Å; S102-E106 WeakPolarHBondContact O-CB 3.45Å; S102-E106 WeakPolarHBondContact O-CG 3.44Å; S102-E106 PolarHBondContact O-N 3.24Å
103S93.9Very high93.3Very high70 Ų7055.2 Ų55.249%0.4928%0.284SS..Hα-helixtrans-56.4-36.4176.556.30000113.2L101 S107L101-S103 VanDerWaalsContact C-N 3.26Å; L101-S103 PolarHBondContact O-N 3.32Å; S103-S107 WeakPolarHBondContact O-CB 3.09Å; S103-S107 PolarHBondContact O-N 3.3Å; S103-S107 PolarHBondContact O-OG 3.38Å
104F94.3Very high92.7Very high4 Ų455.4 Ų55.42%0.01829%0.286CS..Hα-helixtrans-69.6-51.4174.1175.5-100.8000110.8M41 L44 L92 L101 S102 E106 S107 S108 L116 G306 I307M41-F104 WeakPolarHBondContact O-CE2 3.38Å; L44-F104 HydrophobicContact CB-CE2 4.25Å; L44-F104 HydrophobicContact CD2-CD2 3.94Å; L44-F104 HydrophobicContact CD2-CE2 4.04Å; L44-F104 HydrophobicContact CG-CD2 4.29Å; L44-F104 HydrophobicContact CG-CE2 4.42Å; L92-F104 HydrophobicContact CD1-CE1 3.85Å; L92-F104 HydrophobicContact CD1-CZ 3.61Å; L101-F104 HydrophobicContact CB-CB 4.24Å; L101-F104 WeakPolarHBondContact O-CB 3.41Å; L101-F104 PolarHBondContact O-N 3.46Å; S102-F104 PolarHBondContact O-N 3.27Å; F104-E106 PolarHBondContact O-N 3.35Å; F104-S107 PolarHBondContact O-N 3.05Å; F104-S108 VanDerWaalsContact O-CB 3.28Å; F104-S108 WeakPolarHBondContact O-CB 3.15Å; F104-S108 PolarHBondContact O-N 3.47Å; F104-L116 HydrophobicContact CD1-CD1 4.39Å; F104-L116 HydrophobicContact CE1-CD1 3.96Å; F104-G306 WeakPolarHBondContact CB-O 3.39Å; F104-I307 HydrophobicContact CD1-CB 4.44Å; F104-I307 HydrophobicContact CD1-CG2 3.92Å; F104-I307 HydrophobicContact CD2-CG1 3.93Å; F104-I307 HydrophobicContact CE1-CG1 4.3Å; F104-I307 HydrophobicContact CE1-CG2 3.83Å; F104-I307 HydrophobicContact CE2-CD1 4.09Å; F104-I307 HydrophobicContact CE2-CG1 3.69Å; F104-I307 HydrophobicContact CG-CB 4.44Å; F104-I307 HydrophobicContact CG-CG1 4.33Å; F104-I307 HydrophobicContact CG-CG2 4.41Å; F104-I307 HydrophobicContact CZ-CD1 3.97Å; F104-I307 HydrophobicContact CZ-CG1 3.89Å; F104-I307 HydrophobicContact CZ-CG2 4.25Å
105T93Very high92Very high45 Ų4556.2 Ų56.228%0.27630%0.295SS..Hα-helixtrans-61.4-41.3-178.259.40000112.7F100 L101 S102 S108 E109 L116F100-T105 HydrophobicContact CB-CG2 4.47Å; L101-T105 PolarHBondContact O-N 2.96Å; L101-T105 VanDerWaalsContact O-N 3.14Å; S102-T105 WeakPolarHBondContact CA-OG1 3.48Å; S102-T105 PolarHBondContact O-N 3.2Å; S102-T105 VanDerWaalsContact O-N 3.1Å; S102-T105 PolarHBondContact O-OG1 2.84Å; T105-S108 PolarHBondContact O-N 3.32Å; T105-E109 PolarHBondContact O-N 3.41Å; T105-L116 HydrophobicContact CG2-CB 4.16Å
106E93.8Very high91.8Very high129 Ų12957.7 Ų57.760%0.60330%0.302SS*.Hα-helixtrans-66-41.9177-71.6171-161.900111.9S102 F104 K110S102-E106 WeakPolarHBondContact O-CB 3.45Å; S102-E106 WeakPolarHBondContact O-CG 3.44Å; S102-E106 PolarHBondContact O-N 3.24Å; F104-E106 PolarHBondContact O-N 3.35Å; E106-K110 VanDerWaalsContact O-CB 3.22Å; E106-K110 WeakPolarHBondContact O-CB 3.36Å; E106-K110 PolarHBondContact O-N 2.84Å
107S92.8Very high91.8Very high36 Ų3654.5 Ų54.525%0.25229%0.289SS..Hα-helixtrans-70.3-37177.9-66.80000111.8L44 S103 F104 K110 F111L44-S107 VanDerWaalsContact CD2-CB 3.49Å; S103-S107 WeakPolarHBondContact O-CB 3.09Å; S103-S107 PolarHBondContact O-N 3.3Å; S103-S107 PolarHBondContact O-OG 3.38Å; F104-S107 PolarHBondContact O-N 3.05Å; S107-K110 PolarHBondContact O-N 3.37Å; S107-F111 WeakPolarHBondContact O-CB 3.46Å; S107-F111 WeakPolarHBondContact O-CD2 3.26Å; S107-F111 PolarHBondContact O-N 3.07Å
108S92.4Very high91.9Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-60.1-49.1174.3-171.70000111.1M41 F104 T105 Y112 A114M41-S108 VanDerWaalsContact CG-OG 3.29Å; M41-S108 WeakPolarHBondContact CG-OG 3.36Å; M41-S108 PolarHBondContact SD-OG 3.01Å; F104-S108 VanDerWaalsContact O-CB 3.28Å; F104-S108 WeakPolarHBondContact O-CB 3.15Å; F104-S108 PolarHBondContact O-N 3.47Å; T105-S108 PolarHBondContact O-N 3.32Å; S108-Y112 WeakPolarHBondContact O-CA 3.25Å; S108-Y112 WeakPolarHBondContact O-CB 3.47Å; S108-Y112 PolarHBondContact O-N 2.87Å; S108-A114 CarbonylContact C-O 3.58Å; S108-A114 VanDerWaalsContact C-O 3.23Å; S108-A114 WeakPolarHBondContact CB-O 3.2Å; S108-A114 PolarHBondContact OG-O 3.34Å
109E91.4Very high92Very high102 Ų10254.7 Ų54.748%0.47728%0.284SS..Hα-helixtrans-62.1-47176.1-171.561.9-155.900111.1T105 F111 H113 A114 G115T105-E109 PolarHBondContact O-N 3.41Å; E109-F111 PolarHBondContact O-N 2.98Å; E109-H113 VanDerWaalsContact O-CA 3.29Å; E109-H113 WeakPolarHBondContact O-CA 3.19Å; E109-H113 PolarHBondContact O-N 3.42Å; E109-A114 PolarHBondContact N-O 2.96Å; E109-G115 PolarHBondContact OE2-N 3.5Å
110K91.4Very high92.1Very high116 Ų11648.5 Ų48.550%0.50426%0.256SS..Hα-helixtrans-60.2-47.3-178.7177.6-176.4174.2-175.20113.3Q71 E106 S107Q71-K110 PolarHBondContact NE2-O 3.33Å; E106-K110 VanDerWaalsContact O-CB 3.22Å; E106-K110 WeakPolarHBondContact O-CB 3.36Å; E106-K110 PolarHBondContact O-N 2.84Å; S107-K110 PolarHBondContact O-N 3.37Å
111F90.4Very high92.2Very high23 Ų2347 Ų4710%0.10125%0.25CC..Hα-helixtrans-91.5-26.6-171.3-64.8-56.9000113.5H67 N68 Q71 S107 E109H67-F111 HydrophobicContact CB-CB 4.32Å; H67-F111 HydrophobicContact CB-CD1 4.08Å; H67-F111 HydrophobicContact CB-CD2 4Å; H67-F111 HydrophobicContact CB-CE1 4.39Å; H67-F111 HydrophobicContact CB-CE2 4.32Å; H67-F111 HydrophobicContact CB-CG 3.88Å; H67-F111 HydrophobicContact CB-CZ 4.5Å; N68-F111 VanDerWaalsContact OD1-CE1 3.27Å; N68-F111 WeakPolarHBondContact OD1-CE1 3.3Å; Q71-F111 VanDerWaalsContact CA-O 3.22Å; Q71-F111 WeakPolarHBondContact CA-O 3.48Å; Q71-F111 HydrophobicContact CB-CD1 4.17Å; Q71-F111 PolarHBondContact N-O 3.39Å; S107-F111 WeakPolarHBondContact O-CB 3.46Å; S107-F111 WeakPolarHBondContact O-CD2 3.26Å; S107-F111 PolarHBondContact O-N 3.07Å; E109-F111 PolarHBondContact O-N 2.98Å
112Y89.9Confident92.2Very high8 Ų846.8 Ų46.83%0.03125%0.25CS..Hα-helixtrans-123.5-5.1-170.2-57.6-73.5000114.5S37 S40 M41 H67 Y70 L74 S108 A114S37-Y112 WeakPolarHBondContact O-CE1 3.45Å; S37-Y112 WeakPolarHBondContact OG-CD1 3.34Å; S40-Y112 WeakPolarHBondContact CB-OH 3.29Å; S40-Y112 PolarHBondContact O-OH 2.95Å; M41-Y112 VanDerWaalsContact CA-CE2 3.46Å; M41-Y112 HydrophobicContact CB-CD1 4.44Å; M41-Y112 HydrophobicContact CB-CD2 3.64Å; M41-Y112 HydrophobicContact CB-CE2 3.76Å; M41-Y112 HydrophobicContact CB-CG 3.98Å; M41-Y112 HydrophobicContact CG-CD2 3.95Å; M41-Y112 HydrophobicContact CG-CE2 4.37Å; M41-Y112 HydrophobicContact CG-CG 4.46Å; M41-Y112 PolarHBondContact N-OH 3.24Å; H67-Y112 PolarHBondContact CE1-OH 3.44Å; H67-Y112 AromaticContact ND1-CZ 3.79Å; H67-Y112 PolarHBondContact ND1-OH 3.43Å; Y70-Y112 AromaticContact CD2-CE1 3.95Å; Y70-Y112 HydrophobicContact CD2-CE1 3.95Å; Y70-Y112 AromaticContact CG-CE1 3.92Å; Y70-Y112 HydrophobicContact CG-CE1 3.92Å; L74-Y112 HydrophobicContact CD1-CD1 4.2Å; S108-Y112 WeakPolarHBondContact O-CA 3.25Å; S108-Y112 WeakPolarHBondContact O-CB 3.47Å; S108-Y112 PolarHBondContact O-N 2.87Å; Y112-A114 PolarHBondContact O-N 2.73Å; Y112-A114 VanDerWaalsContact O-N 3.14Å
113H87.1Confident92.3Very high100 Ų10050 Ų5046%0.46326%0.257SS..SBendtrans51.332.5-171.1-52.1160.5000111.6E109E109-H113 VanDerWaalsContact O-CA 3.29Å; E109-H113 WeakPolarHBondContact O-CA 3.19Å; E109-H113 PolarHBondContact O-N 3.42Å
114A85.4Confident92.4Very high4 Ų448.7 Ų48.73%0.03325%0.248CC..  trans-129120.7-174.800000109.1M41 N90 S108 E109 Y112M41-A114 HydrophobicContact CE-CB 4.49Å; M41-A114 HydrophobicContact SD-CB 3.66Å; N90-A114 WeakPolarHBondContact O-CB 3.49Å; S108-A114 CarbonylContact C-O 3.58Å; S108-A114 VanDerWaalsContact C-O 3.23Å; S108-A114 WeakPolarHBondContact CB-O 3.2Å; S108-A114 PolarHBondContact OG-O 3.34Å; E109-A114 PolarHBondContact N-O 2.96Å; Y112-A114 PolarHBondContact O-N 2.73Å; Y112-A114 VanDerWaalsContact O-N 3.14Å
115G81.8Confident92.5Very high18 Ų1849.8 Ų49.819%0.18626%0.256CS..  trans-85.8171.2175.900000113.3L92 E109L92-G115 PolarHBondContact N-O 3.44Å; E109-G115 PolarHBondContact OE2-N 3.5Å
116L91.6Very high92.7Very high31 Ų3150.8 Ų50.816%0.16226%0.257CS..EExtended strand (participates in β ladder)trans-104.7130.4162.4-177.4148.6000108.5L92 F100 F104 T105 Q118 I307L92-L116 HydrophobicContact CB-CB 4.35Å; L92-L116 HydrophobicContact CB-CD1 4.32Å; L92-L116 HydrophobicContact CB-CG 4.25Å; L92-L116 CarbonylContact O-C 3.6Å; L92-L116 WeakPolarHBondContact O-CA 3.48Å; F100-L116 HydrophobicContact CB-CD1 4.49Å; F100-L116 HydrophobicContact CB-CD2 4.25Å; F100-L116 HydrophobicContact CD1-CD1 3.45Å; F100-L116 VanDerWaalsContact CD1-CD1 3.45Å; F100-L116 HydrophobicContact CD1-CD2 4.07Å; F100-L116 HydrophobicContact CD1-CG 4.45Å; F100-L116 HydrophobicContact CD2-CD1 4.41Å; F100-L116 HydrophobicContact CD2-CD2 3.49Å; F100-L116 VanDerWaalsContact CD2-CD2 3.49Å; F100-L116 HydrophobicContact CE1-CD1 3.72Å; F100-L116 HydrophobicContact CE1-CD2 4.36Å; F100-L116 HydrophobicContact CE2-CD2 3.83Å; F100-L116 HydrophobicContact CG-CD1 3.85Å; F100-L116 HydrophobicContact CG-CD2 3.63Å; F100-L116 HydrophobicContact CG-CG 4.43Å; F100-L116 HydrophobicContact CZ-CD1 4.32Å; F100-L116 HydrophobicContact CZ-CD2 4.26Å; F104-L116 HydrophobicContact CD1-CD1 4.39Å; F104-L116 HydrophobicContact CE1-CD1 3.96Å; T105-L116 HydrophobicContact CG2-CB 4.16Å; L116-Q118 HydrophobicContact CD2-CG 4.18Å; L116-I307 HydrophobicContact CD1-CG2 4.37Å
117E94.3Very high92.8Very high31 Ų3149.6 Ų49.615%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-111.7131.3173.5-177.117017300110.1R91 L92 Y93 G94 R131R91-E117 IonicContact CZ-OE2 2.79Å; R91-E117 IonicContact NH1-OE2 2.64Å; R91-E117 PolarHBondContact NH1-OE2 3.33Å; L92-E117 PolarHBondContact O-N 2.87Å; Y93-E117 CarbonylContact C-O 3.49Å; Y93-E117 VanDerWaalsContact CA-O 3.31Å; Y93-E117 WeakPolarHBondContact CA-O 3.45Å; Y93-E117 HydrophobicContact CD1-CB 3.87Å; Y93-E117 HydrophobicContact CD1-CG 4.24Å; Y93-E117 HydrophobicContact CE1-CB 3.93Å; Y93-E117 HydrophobicContact CE1-CG 4.19Å; Y93-E117 WeakPolarHBondContact CE1-OE2 3.35Å; G94-E117 PolarHBondContact N-O 3.2Å; E117-R131 IonicContact OE1-CZ 3.43Å; E117-R131 IonicContact OE1-NE 2.98Å; E117-R131 PolarHBondContact OE1-NE 2.89Å; E117-R131 IonicContact OE1-NH2 3.36Å; E117-R131 PolarHBondContact OE1-NH2 2.85Å
118Q95.1Very high93.1Very high101 Ų10148.1 Ų48.147%0.47225%0.245SC..EExtended strand (participates in β ladder)trans-81.8134.8173.4-70-176.1-53.800110.3G94 K96 F98 F100 L116G94-Q118 CarbonylContact O-C 3.23Å; G94-Q118 VanDerWaalsContact O-CA 3.3Å; G94-Q118 WeakPolarHBondContact O-CA 3.38Å; K96-Q118 HydrophobicContact CB-CB 4.19Å; F98-Q118 PolarHBondContact O-NE2 2.81Å; F100-Q118 HydrophobicContact CD2-CG 3.73Å; F100-Q118 HydrophobicContact CE2-CG 3.75Å; L116-Q118 HydrophobicContact CD2-CG 4.18Å
119T95.3Very high93.3Very high13 Ų1349 Ų498%0.0825%0.248CC..EExtended strand (participates in β ladder)trans-140.6158.9179.9-164.10000111.2G94 E95 K96 F121 S128G94-T119 PolarHBondContact O-N 3.34Å; E95-T119 CarbonylContact C-O 3.48Å; E95-T119 WeakPolarHBondContact CA-O 3.33Å; K96-T119 PolarHBondContact N-O 3.48Å; T119-F121 HydrophobicContact CG2-CD1 3.6Å; T119-F121 HydrophobicContact CG2-CD2 3.8Å; T119-F121 HydrophobicContact CG2-CE1 3.18Å; T119-F121 HydrophobicContact CG2-CE2 3.4Å; T119-F121 VanDerWaalsContact CG2-CE2 3.4Å; T119-F121 HydrophobicContact CG2-CG 3.91Å; T119-F121 HydrophobicContact CG2-CZ 3.1Å; T119-F121 PolarHBondContact O-N 2.86Å; T119-S128 WeakPolarHBondContact OG1-CB 3.33Å; T119-S128 PolarHBondContact OG1-OG 2.85Å
120D96.6Very high93.6Very high26 Ų2649.1 Ų49.114%0.13925%0.247CC..  trans-98.375.6-176.9-174.35.5000110.9K96 H123 S124 S125 S128K96-D120 HydrophobicContact CD-CB 3.86Å; K96-D120 WeakPolarHBondContact CE-OD1 3.43Å; K96-D120 WeakPolarHBondContact CE-OD2 3.45Å; K96-D120 HydrophobicContact CG-CB 4.37Å; K96-D120 IonicContact NZ-OD1 2.77Å; K96-D120 IonicContact NZ-OD2 3.52Å; K96-D120 PolarHBondContact NZ-OD2 3.29Å; D120-H123 WeakPolarHBondContact OD1-CB 3.44Å; D120-H123 IonicContact OD1-CD2 2.83Å; D120-H123 PolarHBondContact OD1-CD2 3.08Å; D120-H123 IonicContact OD1-CG 2.66Å; D120-H123 PolarHBondContact OD1-N 3Å; D120-S124 CarbonylContact O-C 3.56Å; D120-S124 VanDerWaalsContact O-CA 3.22Å; D120-S124 WeakPolarHBondContact O-CA 3.36Å; D120-S124 WeakPolarHBondContact O-CB 3.28Å; D120-S124 PolarHBondContact O-N 2.87Å; D120-S124 PolarHBondContact OD2-OG 2.85Å; D120-S125 PolarHBondContact O-N 2.84Å; D120-S128 PolarHBondContact O-OG 3.37Å; D120-S128 VanDerWaalsContact O-OG 3.1Å
121F96.7Very high93.8Very high0 Ų050.6 Ų50.60%025%0.25CC..Hα-helixtrans-67.8-38.9173.5-56.5-52.6000111.4E95 T119 H123 S125 I132 I153 S155 V160E95-F121 HydrophobicContact CB-CD2 4.16Å; E95-F121 VanDerWaalsContact OE2-CA 3.23Å; E95-F121 WeakPolarHBondContact OE2-CA 3.41Å; E95-F121 WeakPolarHBondContact OE2-CB 3.39Å; E95-F121 PolarHBondContact OE2-N 3.35Å; T119-F121 HydrophobicContact CG2-CD1 3.6Å; T119-F121 HydrophobicContact CG2-CD2 3.8Å; T119-F121 HydrophobicContact CG2-CE1 3.18Å; T119-F121 HydrophobicContact CG2-CE2 3.4Å; T119-F121 VanDerWaalsContact CG2-CE2 3.4Å; T119-F121 HydrophobicContact CG2-CG 3.91Å; T119-F121 HydrophobicContact CG2-CZ 3.1Å; T119-F121 PolarHBondContact O-N 2.86Å; F121-H123 PolarHBondContact O-N 2.89Å; F121-S125 WeakPolarHBondContact O-CB 3.49Å; F121-S125 PolarHBondContact O-N 2.92Å; F121-I132 HydrophobicContact CE1-CD1 4.02Å; F121-I132 HydrophobicContact CZ-CD1 4.34Å; F121-I153 HydrophobicContact CB-CG2 4.45Å; F121-I153 HydrophobicContact CD1-CG2 3.24Å; F121-I153 HydrophobicContact CE1-CD1 3.71Å; F121-I153 HydrophobicContact CE1-CG2 3.49Å; F121-I153 VanDerWaalsContact CE1-CG2 3.49Å; F121-I153 HydrophobicContact CG-CG2 4.01Å; F121-I153 HydrophobicContact CZ-CD1 4.24Å; F121-I153 HydrophobicContact CZ-CG2 4.42Å; F121-S155 WeakPolarHBondContact O-CA 3.33Å; F121-V160 HydrophobicContact CE1-CG2 4.48Å; F121-V160 HydrophobicContact CE2-CG2 3.98Å; F121-V160 HydrophobicContact CZ-CB 4.12Å; F121-V160 HydrophobicContact CZ-CG2 3.72Å
122V95.5Very high94.1Very high48 Ų4849.6 Ų49.629%0.29125%0.245SC..Hα-helixtrans-60.3-44.7-174.5173.40000112.4E95 S155E95-V122 HydrophobicContact CG-CG2 3.95Å; E95-V122 PolarHBondContact OE2-N 2.82Å; E95-V122 VanDerWaalsContact OE2-N 3.08Å; V122-S155 WeakPolarHBondContact O-CB 3.34Å
123H96.5Very high94.4Very high144 Ų14449.4 Ų49.467%0.66725%0.245SC*.Hα-helixtrans-106.5-21.6-177-54.3-67.9000113.8D120 F121D120-H123 WeakPolarHBondContact OD1-CB 3.44Å; D120-H123 IonicContact OD1-CD2 2.83Å; D120-H123 PolarHBondContact OD1-CD2 3.08Å; D120-H123 IonicContact OD1-CG 2.66Å; D120-H123 PolarHBondContact OD1-N 3Å; F121-H123 PolarHBondContact O-N 2.89Å
124S96.4Very high94.9Very high43 Ų4349.6 Ų49.630%0.30125%0.249SC..Hα-helixtrans-14046.2-169.6-48.50000112.6D120 E126 D127 S128D120-S124 CarbonylContact O-C 3.56Å; D120-S124 VanDerWaalsContact O-CA 3.22Å; D120-S124 WeakPolarHBondContact O-CA 3.36Å; D120-S124 WeakPolarHBondContact O-CB 3.28Å; D120-S124 PolarHBondContact O-N 2.87Å; D120-S124 PolarHBondContact OD2-OG 2.85Å; S124-E126 PolarHBondContact O-N 3.1Å; S124-D127 PolarHBondContact O-N 3Å; S124-S128 WeakPolarHBondContact O-CB 3.46Å; S124-S128 PolarHBondContact O-N 2.95Å; S124-S128 PolarHBondContact O-OG 2.93Å
125S96.1Very high95.4Very high27 Ų2751 Ų5119%0.18925%0.254CS..Hα-helixtrans-58.2-40.9-174.961.50000114.2D120 F121 S128 R129D120-S125 PolarHBondContact O-N 2.84Å; F121-S125 WeakPolarHBondContact O-CB 3.49Å; F121-S125 PolarHBondContact O-N 2.92Å; S125-S128 WeakPolarHBondContact O-CB 3.42Å; S125-S128 PolarHBondContact O-N 2.68Å; S125-R129 WeakPolarHBondContact O-CB 3.49Å; S125-R129 PolarHBondContact O-N 2.89Å
126E96.7Very high96Very high67 Ų6750.2 Ų50.231%0.31325%0.245SC..Hα-helixtrans-70.1-37.6179.9-80.3-57.1129.400112.9S124 R129 K130S124-E126 PolarHBondContact O-N 3.1Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.05Å; E126-R129 IonicContact OE1-NE 3.99Å; E126-R129 IonicContact OE2-CZ 2.78Å; E126-R129 IonicContact OE2-NE 3.92Å; E126-R129 PolarHBondContact OE2-NE 2.99Å; E126-R129 IonicContact OE2-NH2 3.07Å; E126-R129 PolarHBondContact OE2-NH2 2.89Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.42Å
127D96.7Very high96.2Very high104 Ų10451.7 Ų51.756%0.55625%0.251SS*.Hα-helixtrans-70-37.7175-69.4-23.1000110.8S124 K130 R131S124-D127 PolarHBondContact O-N 3Å; D127-K130 PolarHBondContact O-N 3.36Å; D127-R131 WeakPolarHBondContact O-CB 3.43Å; D127-R131 PolarHBondContact O-N 2.95Å
128S97Very high96.2Very high5 Ų556.3 Ų56.34%0.03527%0.273CS..Hα-helixtrans-58.5-46.8170.7-61.40000111.1T119 D120 S124 S125 K130 R131 I132T119-S128 WeakPolarHBondContact OG1-CB 3.33Å; T119-S128 PolarHBondContact OG1-OG 2.85Å; D120-S128 PolarHBondContact O-OG 3.37Å; D120-S128 VanDerWaalsContact O-OG 3.1Å; S124-S128 WeakPolarHBondContact O-CB 3.46Å; S124-S128 PolarHBondContact O-N 2.95Å; S124-S128 PolarHBondContact O-OG 2.93Å; S125-S128 WeakPolarHBondContact O-CB 3.42Å; S125-S128 PolarHBondContact O-N 2.68Å; S128-K130 PolarHBondContact O-N 2.96Å; S128-R131 PolarHBondContact O-N 2.8Å; S128-I132 WeakPolarHBondContact O-CD1 3.43Å; S128-I132 WeakPolarHBondContact O-CG1 3.31Å; S128-I132 PolarHBondContact O-N 3.46Å
129R97.3Very high95.9Very high17 Ų1755.3 Ų55.36%0.06427%0.267CS..Hα-helixtrans-58.7-47177.5-174-169.765.985.6-2111.9S125 E126 I132 N133 L148 A149 E150S125-R129 WeakPolarHBondContact O-CB 3.49Å; S125-R129 PolarHBondContact O-N 2.89Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.05Å; E126-R129 IonicContact OE1-NE 3.99Å; E126-R129 IonicContact OE2-CZ 2.78Å; E126-R129 IonicContact OE2-NE 3.92Å; E126-R129 PolarHBondContact OE2-NE 2.99Å; E126-R129 IonicContact OE2-NH2 3.07Å; E126-R129 PolarHBondContact OE2-NH2 2.89Å; R129-I132 PolarHBondContact O-N 2.74Å; R129-N133 PolarHBondContact NH1-ND2 2.85Å; R129-N133 PolarHBondContact O-N 3.11Å; R129-L148 HydrophobicContact CG-CB 3.69Å; R129-L148 HydrophobicContact CG-CD1 4.24Å; R129-L148 PolarHBondContact NH1-O 2.99Å; R129-A149 WeakPolarHBondContact CD-O 3.37Å; R129-E150 IonicContact NH2-OE1 2.85Å
130K97.2Very high95.6Very high105 Ų10554.7 Ų54.746%0.45726%0.263SS..Hα-helixtrans-61.5-47.9177.9-71.7172.2-173167.50111.6E126 D127 S128 I132 N133 D134E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.42Å; D127-K130 PolarHBondContact O-N 3.36Å; S128-K130 PolarHBondContact O-N 2.96Å; K130-I132 VanDerWaalsContact C-N 3.3Å; K130-I132 PolarHBondContact O-N 2.94Å; K130-N133 WeakPolarHBondContact O-CB 3.37Å; K130-N133 PolarHBondContact O-N 2.98Å; K130-N133 VanDerWaalsContact O-N 3.07Å; K130-D134 VanDerWaalsContact O-CG 3.25Å; K130-D134 PolarHBondContact O-N 2.91Å
131R96.8Very high95.3Very high148 Ų14858.5 Ų58.556%0.55828%0.28SS*.Hα-helixtrans-58.3-41.4177.5179.2175.9172.8152.7-1.6112.6E117 D127 S128 W135E117-R131 IonicContact OE1-CZ 3.43Å; E117-R131 IonicContact OE1-NE 2.98Å; E117-R131 PolarHBondContact OE1-NE 2.89Å; E117-R131 IonicContact OE1-NH2 3.36Å; E117-R131 PolarHBondContact OE1-NH2 2.85Å; D127-R131 WeakPolarHBondContact O-CB 3.43Å; D127-R131 PolarHBondContact O-N 2.95Å; S128-R131 PolarHBondContact O-N 2.8Å; R131-W135 WeakPolarHBondContact O-CB 3.24Å; R131-W135 PolarHBondContact O-N 2.78Å
132I96.6Very high95Very high1 Ų160 Ų601%0.00530%0.296CS..Hα-helixtrans-63.1-45.9175.4-67.4164.9000110.4Y93 F121 S128 R129 K130 W135 V136 L148 I153 V162Y93-I132 HydrophobicContact CD1-CD1 4.05Å; Y93-I132 HydrophobicContact CD1-CG1 3.73Å; Y93-I132 HydrophobicContact CD2-CD1 4.07Å; Y93-I132 HydrophobicContact CD2-CG1 4.02Å; Y93-I132 HydrophobicContact CD2-CG2 4.33Å; Y93-I132 HydrophobicContact CE1-CD1 4.42Å; Y93-I132 HydrophobicContact CE1-CG1 3.61Å; Y93-I132 HydrophobicContact CE2-CB 4.41Å; Y93-I132 HydrophobicContact CE2-CD1 4.43Å; Y93-I132 HydrophobicContact CE2-CG1 3.91Å; Y93-I132 HydrophobicContact CE2-CG2 3.79Å; Y93-I132 HydrophobicContact CG-CD1 3.84Å; Y93-I132 HydrophobicContact CG-CG1 3.91Å; F121-I132 HydrophobicContact CE1-CD1 4.02Å; F121-I132 HydrophobicContact CZ-CD1 4.34Å; S128-I132 WeakPolarHBondContact O-CD1 3.43Å; S128-I132 WeakPolarHBondContact O-CG1 3.31Å; S128-I132 PolarHBondContact O-N 3.46Å; R129-I132 PolarHBondContact O-N 2.74Å; K130-I132 VanDerWaalsContact C-N 3.3Å; K130-I132 PolarHBondContact O-N 2.94Å; I132-W135 PolarHBondContact O-N 2.93Å; I132-V136 VanDerWaalsContact O-CG2 3.32Å; I132-V136 WeakPolarHBondContact O-CG2 3.28Å; I132-V136 PolarHBondContact O-N 3.07Å; I132-L148 HydrophobicContact CB-CD1 3.84Å; I132-L148 HydrophobicContact CD1-CD1 3.91Å; I132-L148 HydrophobicContact CG1-CD1 4.48Å; I132-L148 HydrophobicContact CG2-CD1 3.46Å; I132-L148 VanDerWaalsContact CG2-CD1 3.46Å; I132-L148 HydrophobicContact CG2-CG 4.27Å; I132-I153 HydrophobicContact CD1-CD1 3.69Å; I132-V162 HydrophobicContact CG2-CG2 3.75Å
133N96.7Very high94.8Very high4 Ų461.3 Ų61.32%0.02130%0.297CS..Hα-helixtrans-61.5-45.2177.5-77.3-20.2000112.2R129 K130 W135 V136 E137 L147 L148R129-N133 PolarHBondContact NH1-ND2 2.85Å; R129-N133 PolarHBondContact O-N 3.11Å; K130-N133 WeakPolarHBondContact O-CB 3.37Å; K130-N133 PolarHBondContact O-N 2.98Å; K130-N133 VanDerWaalsContact O-N 3.07Å; N133-W135 VanDerWaalsContact C-N 3.32Å; N133-W135 PolarHBondContact O-N 2.79Å; N133-V136 PolarHBondContact O-N 3.25Å; N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 PolarHBondContact O-N 3.46Å; N133-L147 PolarHBondContact OD1-N 3.39Å; N133-L148 PolarHBondContact ND2-O 3Å; N133-L148 PolarHBondContact OD1-N 3.04Å
134D96.7Very high94.5Very high104 Ų10454.5 Ų54.556%0.55627%0.266SS*.Hα-helixtrans-60.5-42.5178.1-64.9-18.7000111.1K130 E137 E138K130-D134 VanDerWaalsContact O-CG 3.25Å; K130-D134 PolarHBondContact O-N 2.91Å; D134-E137 PolarHBondContact O-N 3.05Å; D134-E138 WeakPolarHBondContact O-CB 3.2Å; D134-E138 PolarHBondContact O-N 3.4Å
135W95.7Very high94.3Very high35 Ų3556.8 Ų56.813%0.13327%0.272CS..Hα-helixtrans-64.5-42.8176.5178.482.1000112.3A89 R91 R131 I132 N133 E137 E138 K139 V162A89-W135 HydrophobicContact CB-CE3 4.49Å; A89-W135 HydrophobicContact CB-CH2 3.99Å; A89-W135 HydrophobicContact CB-CZ3 3.75Å; R91-W135 HydrophobicContact CB-CH2 3.55Å; R91-W135 HydrophobicContact CB-CZ2 4.23Å; R91-W135 HydrophobicContact CB-CZ3 3.79Å; R91-W135 VanDerWaalsContact CZ-CZ2 3.43Å; R91-W135 VanDerWaalsContact CZ-NE1 3.34Å; R91-W135 VanDerWaalsContact NH1-NE1 3.14Å; R131-W135 WeakPolarHBondContact O-CB 3.24Å; R131-W135 PolarHBondContact O-N 2.78Å; I132-W135 PolarHBondContact O-N 2.93Å; N133-W135 VanDerWaalsContact C-N 3.32Å; N133-W135 PolarHBondContact O-N 2.79Å; W135-E137 VanDerWaalsContact C-N 3.35Å; W135-E138 PolarHBondContact O-N 3.09Å; W135-K139 HydrophobicContact CD2-CG 4.09Å; W135-K139 HydrophobicContact CH2-CG 4.33Å; W135-K139 HydrophobicContact CZ2-CD 4.5Å; W135-K139 HydrophobicContact CZ2-CG 3.79Å; W135-K139 VanDerWaalsContact O-CG 3.32Å; W135-K139 WeakPolarHBondContact O-CG 3.34Å; W135-K139 PolarHBondContact O-N 2.66Å; W135-V162 HydrophobicContact CZ3-CG1 4.48Å
136V94.6Very high94.1Very high0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-63.5-43.4176.2171.20000110.7I132 N133 E138 K139 T140 I144 L147 V162 A164I132-V136 VanDerWaalsContact O-CG2 3.32Å; I132-V136 WeakPolarHBondContact O-CG2 3.28Å; I132-V136 PolarHBondContact O-N 3.07Å; N133-V136 PolarHBondContact O-N 3.25Å; V136-E138 PolarHBondContact O-N 3.45Å; V136-K139 PolarHBondContact O-N 3.36Å; V136-T140 HydrophobicContact CG1-CG2 4.27Å; V136-T140 WeakPolarHBondContact O-CB 3.5Å; V136-T140 VanDerWaalsContact O-CG2 3.28Å; V136-T140 WeakPolarHBondContact O-CG2 3.26Å; V136-T140 PolarHBondContact O-N 2.84Å; V136-T140 PolarHBondContact O-OG1 3.43Å; V136-I144 HydrophobicContact CG1-CB 4.19Å; V136-I144 HydrophobicContact CG1-CG2 3.84Å; V136-L147 HydrophobicContact CG1-CB 4.22Å; V136-L147 HydrophobicContact CG1-CD2 4.34Å; V136-L147 HydrophobicContact CG2-CB 4.5Å; V136-L147 HydrophobicContact CG2-CD2 3.73Å; V136-V162 HydrophobicContact CG2-CG1 3.64Å; V136-A164 HydrophobicContact CG1-CB 3.57Å
137E95.1Very high93.9Very high62 Ų6257.4 Ų57.429%0.2928%0.275SS..Hα-helixtrans-60.9-45.8178.2-173172.2176.100111.1N133 D134 W135 T140 E141 G142 I144 Q145N133-E137 WeakPolarHBondContact O-CB 3.32Å; N133-E137 PolarHBondContact O-N 3.46Å; D134-E137 PolarHBondContact O-N 3.05Å; W135-E137 VanDerWaalsContact C-N 3.35Å; E137-T140 CarbonylContact O-C 3.47Å; E137-T140 PolarHBondContact O-N 2.83Å; E137-T140 PolarHBondContact O-OG1 3.49Å; E137-E141 PolarHBondContact O-N 2.93Å; E137-G142 PolarHBondContact O-N 3.3Å; E137-I144 WeakPolarHBondContact CA-O 3.36Å; E137-Q145 HydrophobicContact CG-CG 4.01Å; E137-Q145 PolarHBondContact OE1-NE2 3.12Å
138E94.3Very high93.7Very high129 Ų12952.5 Ų52.560%0.60325%0.249SC*.Hα-helixtrans-58.5-50175.1-173.4-156.7123.500111.5D134 W135 V136 T140 E141D134-E138 WeakPolarHBondContact O-CB 3.2Å; D134-E138 PolarHBondContact O-N 3.4Å; W135-E138 PolarHBondContact O-N 3.09Å; V136-E138 PolarHBondContact O-N 3.45Å; E138-T140 PolarHBondContact O-N 3.02Å; E138-E141 PolarHBondContact O-N 3.49Å
139K90.6Very high93.6Very high79 Ų7954.8 Ų54.834%0.34327%0.268SS..Hα-helixtrans-69-21.9-177.2-67.5-57.4173.4-1350113.9A89 W135 V136A89-K139 HydrophobicContact CB-CB 3.67Å; A89-K139 HydrophobicContact CB-CG 4.42Å; W135-K139 HydrophobicContact CD2-CG 4.09Å; W135-K139 HydrophobicContact CH2-CG 4.33Å; W135-K139 HydrophobicContact CZ2-CD 4.5Å; W135-K139 HydrophobicContact CZ2-CG 3.79Å; W135-K139 VanDerWaalsContact O-CG 3.32Å; W135-K139 WeakPolarHBondContact O-CG 3.34Å; W135-K139 PolarHBondContact O-N 2.66Å; V136-K139 PolarHBondContact O-N 3.36Å
140T88.5Confident93.4Very high0 Ų061.3 Ų61.30%030%0.299CS..THydrogen-bonded Turntrans-103.315.6179.163.10000112.7A89 V136 E137 E138 G142 K143 I144 A164A89-T140 HydrophobicContact CB-CG2 4.11Å; V136-T140 HydrophobicContact CG1-CG2 4.27Å; V136-T140 WeakPolarHBondContact O-CB 3.5Å; V136-T140 VanDerWaalsContact O-CG2 3.28Å; V136-T140 WeakPolarHBondContact O-CG2 3.26Å; V136-T140 PolarHBondContact O-N 2.84Å; V136-T140 PolarHBondContact O-OG1 3.43Å; E137-T140 CarbonylContact O-C 3.47Å; E137-T140 PolarHBondContact O-N 2.83Å; E137-T140 PolarHBondContact O-OG1 3.49Å; E138-T140 PolarHBondContact O-N 3.02Å; T140-G142 PolarHBondContact O-N 3.26Å; T140-K143 VanDerWaalsContact O-CB 3.24Å; T140-K143 WeakPolarHBondContact O-CB 3.24Å; T140-K143 VanDerWaalsContact O-CG 3.3Å; T140-K143 WeakPolarHBondContact O-CG 3.39Å; T140-K143 PolarHBondContact O-N 2.76Å; T140-I144 HydrophobicContact CG2-CB 4.01Å; T140-I144 HydrophobicContact CG2-CD1 4.01Å; T140-I144 HydrophobicContact CG2-CG1 4.15Å; T140-I144 WeakPolarHBondContact OG1-CB 3.39Å; T140-I144 PolarHBondContact OG1-N 2.85Å; T140-I144 VanDerWaalsContact OG1-N 3.12Å; T140-I144 PolarHBondContact OG1-O 3.36Å; T140-A164 HydrophobicContact CG2-CB 4.31Å
141E89.4Confident93.1Very high106 Ų10658.9 Ų58.950%0.49530%0.304SS..THydrogen-bonded Turntrans54.937.3178.3-57.5179-174.600112.8R87 E137 E138 K143R87-E141 IonicContact CZ-OE1 2.65Å; R87-E141 VanDerWaalsContact CZ-OE1 3.25Å; R87-E141 IonicContact NE-OE1 3.67Å; R87-E141 PolarHBondContact NE-OE1 3.28Å; R87-E141 IonicContact NH2-OE1 3.42Å; R87-E141 PolarHBondContact NH2-OE1 3.19Å; E137-E141 PolarHBondContact O-N 2.93Å; E138-E141 PolarHBondContact O-N 3.49Å; E141-K143 VanDerWaalsContact C-N 3.25Å; E141-K143 PolarHBondContact O-N 2.72Å
142G91.3Very high92.8Very high32 Ų3254.2 Ų54.233%0.3329%0.29SS..THydrogen-bonded Turntrans782-178.800000114.8E137 T140E137-G142 PolarHBondContact O-N 3.3Å; T140-G142 PolarHBondContact O-N 3.26Å
143K90.2Very high92.7Very high76 Ų7654.3 Ų54.333%0.3329%0.29SS..SBendtrans-79.1-29.5-175.9-61.5-64.8-178176.80113.4T140 E141 Y166 F323T140-K143 VanDerWaalsContact O-CB 3.24Å; T140-K143 WeakPolarHBondContact O-CB 3.24Å; T140-K143 VanDerWaalsContact O-CG 3.3Å; T140-K143 WeakPolarHBondContact O-CG 3.39Å; T140-K143 PolarHBondContact O-N 2.76Å; E141-K143 VanDerWaalsContact C-N 3.25Å; E141-K143 PolarHBondContact O-N 2.72Å; K143-Y166 HydrophobicContact CB-CD1 4.44Å; K143-Y166 HydrophobicContact CB-CD2 3.99Å; K143-Y166 HydrophobicContact CB-CE2 4.34Å; K143-Y166 HydrophobicContact CB-CG 4.03Å; K143-Y166 HydrophobicContact CD-CE2 4.21Å; K143-Y166 HydrophobicContact CG-CD1 4.04Å; K143-Y166 HydrophobicContact CG-CD2 3.97Å; K143-Y166 HydrophobicContact CG-CE1 3.92Å; K143-Y166 HydrophobicContact CG-CE2 3.85Å; K143-Y166 HydrophobicContact CG-CG 4.06Å; K143-F323 HydrophobicContact CD-CZ 4.48Å
144I89.9Confident92.6Very high0 Ų057.2 Ų57.20%031%0.305CS..SBendtrans-116.8102.7177.5-59.4-177.6000108.4V136 E137 T140 L147 A164 K321 F323V136-I144 HydrophobicContact CG1-CB 4.19Å; V136-I144 HydrophobicContact CG1-CG2 3.84Å; E137-I144 WeakPolarHBondContact CA-O 3.36Å; T140-I144 HydrophobicContact CG2-CB 4.01Å; T140-I144 HydrophobicContact CG2-CD1 4.01Å; T140-I144 HydrophobicContact CG2-CG1 4.15Å; T140-I144 WeakPolarHBondContact OG1-CB 3.39Å; T140-I144 PolarHBondContact OG1-N 2.85Å; T140-I144 VanDerWaalsContact OG1-N 3.12Å; T140-I144 PolarHBondContact OG1-O 3.36Å; I144-L147 HydrophobicContact CG2-CD1 4.46Å; I144-A164 HydrophobicContact CD1-CB 3.86Å; I144-A164 HydrophobicContact CG2-CB 4.15Å; I144-K321 HydrophobicContact CG2-CB 4.18Å; I144-K321 HydrophobicContact CG2-CD 3.56Å; I144-K321 HydrophobicContact CG2-CG 3.81Å; I144-F323 HydrophobicContact CD1-CB 4.36Å; I144-F323 HydrophobicContact CG1-CB 4.24Å
145Q92.4Very high92.5Very high92 Ų9255 Ų5543%0.4330%0.298SS..  trans-104.7155176.3-60.2-175.6-2800110.2E137 L147 K321E137-Q145 HydrophobicContact CG-CG 4.01Å; E137-Q145 PolarHBondContact OE1-NE2 3.12Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 2.98Å; Q145-K321 PolarHBondContact O-NZ 3.42Å
146N91.6Very high92.4Very high106 Ų10659.3 Ų59.357%0.56732%0.321SS*.  trans47.349.8173.1-62.5-57.1000112.8L148N146-L148 VanDerWaalsContact C-N 3.26Å; N146-L148 PolarHBondContact O-N 2.93Å
147L92.7Very high92.5Very high1 Ų159.5 Ų59.51%0.00532%0.322CS..  trans-52.9-49178.5176.171000111.1N133 V136 I144 Q145 V162 A164 V319 K321N133-L147 PolarHBondContact OD1-N 3.39Å; V136-L147 HydrophobicContact CG1-CB 4.22Å; V136-L147 HydrophobicContact CG1-CD2 4.34Å; V136-L147 HydrophobicContact CG2-CB 4.5Å; V136-L147 HydrophobicContact CG2-CD2 3.73Å; I144-L147 HydrophobicContact CG2-CD1 4.46Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 2.98Å; L147-V162 HydrophobicContact CD2-CB 4.14Å; L147-V162 HydrophobicContact CD2-CG1 3.28Å; L147-V162 HydrophobicContact CD2-CG2 4.01Å; L147-A164 HydrophobicContact CD1-CB 4.35Å; L147-V319 HydrophobicContact CD1-CG1 3.89Å; L147-V319 HydrophobicContact CD2-CG1 4.49Å; L147-V319 HydrophobicContact CG-CG1 3.95Å; L147-K321 HydrophobicContact CD1-CB 3.14Å; L147-K321 HydrophobicContact CD1-CD 3.9Å; L147-K321 HydrophobicContact CD1-CG 4.11Å
148L94.3Very high92.5Very high1 Ų158.6 Ų58.61%0.00532%0.317CS..SBendtrans-96.4110.8179.3-58.7175.7000109.7R129 I132 N133 N146 I152 I153 V319R129-L148 HydrophobicContact CG-CB 3.69Å; R129-L148 HydrophobicContact CG-CD1 4.24Å; R129-L148 PolarHBondContact NH1-O 2.99Å; I132-L148 HydrophobicContact CB-CD1 3.84Å; I132-L148 HydrophobicContact CD1-CD1 3.91Å; I132-L148 HydrophobicContact CG1-CD1 4.48Å; I132-L148 HydrophobicContact CG2-CD1 3.46Å; I132-L148 VanDerWaalsContact CG2-CD1 3.46Å; I132-L148 HydrophobicContact CG2-CG 4.27Å; N133-L148 PolarHBondContact ND2-O 3Å; N133-L148 PolarHBondContact OD1-N 3.04Å; N146-L148 VanDerWaalsContact C-N 3.26Å; N146-L148 PolarHBondContact O-N 2.93Å; L148-I152 HydrophobicContact CD2-CG2 4.11Å; L148-I153 HydrophobicContact CD1-CD1 3.37Å; L148-I153 HydrophobicContact CD1-CG1 4.14Å; L148-V319 HydrophobicContact CD2-CB 3.97Å; L148-V319 HydrophobicContact CD2-CG1 4.13Å; L148-V319 HydrophobicContact CD2-CG2 3.6Å
149A93.1Very high92.6Very high53 Ų5352.5 Ų52.544%0.43829%0.288SS..  trans-65.3158.2169.300000111.2R129 G151 I152R129-A149 WeakPolarHBondContact CD-O 3.37Å; A149-G151 PolarHBondContact O-N 3.37Å; A149-I152 HydrophobicContact CB-CG1 4.02Å; A149-I152 WeakPolarHBondContact O-CB 3.44Å; A149-I152 WeakPolarHBondContact O-CG1 3.29Å; A149-I152 PolarHBondContact O-N 3.43Å
150E93Very high92.9Very high154 Ų15448.7 Ų48.772%0.7227%0.272SS*.THydrogen-bonded Turntrans-56.9138.1174.4-68-179.5-179.700110.8R129 I152R129-E150 IonicContact NH2-OE1 2.85Å; E150-I152 VanDerWaalsContact C-N 3.3Å; E150-I152 PolarHBondContact O-N 2.9Å
151G90.9Very high93.2Very high53 Ų5348.8 Ų48.855%0.54627%0.272SS..THydrogen-bonded Turntrans82.2-10.6179.200000116.5A149 I153A149-G151 PolarHBondContact O-N 3.37Å; G151-I153 VanDerWaalsContact C-N 3.34Å
152I91.2Very high93.5Very high51 Ų5143.8 Ų43.826%0.26225%0.248SC..SBendtrans-63.1-42.7174.9-65.8-66.2000111L148 A149 E150 E317 V319L148-I152 HydrophobicContact CD2-CG2 4.11Å; A149-I152 HydrophobicContact CB-CG1 4.02Å; A149-I152 WeakPolarHBondContact O-CB 3.44Å; A149-I152 WeakPolarHBondContact O-CG1 3.29Å; A149-I152 PolarHBondContact O-N 3.43Å; E150-I152 VanDerWaalsContact C-N 3.3Å; E150-I152 PolarHBondContact O-N 2.9Å; I152-E317 HydrophobicContact CG2-CG 4.21Å; I152-V319 HydrophobicContact CG2-CG2 4.18Å
153I94.1Very high93.6Very high2 Ų242.4 Ų42.41%0.0123%0.233CC..SBendtrans-103.3138.1174.6-61-171.1000109F121 I132 L148 G151 V160F121-I153 HydrophobicContact CB-CG2 4.45Å; F121-I153 HydrophobicContact CD1-CG2 3.24Å; F121-I153 HydrophobicContact CE1-CD1 3.71Å; F121-I153 HydrophobicContact CE1-CG2 3.49Å; F121-I153 VanDerWaalsContact CE1-CG2 3.49Å; F121-I153 HydrophobicContact CG-CG2 4.01Å; F121-I153 HydrophobicContact CZ-CD1 4.24Å; F121-I153 HydrophobicContact CZ-CG2 4.42Å; I132-I153 HydrophobicContact CD1-CD1 3.69Å; L148-I153 HydrophobicContact CD1-CD1 3.37Å; L148-I153 HydrophobicContact CD1-CG1 4.14Å; G151-I153 VanDerWaalsContact C-N 3.34Å; I153-V160 HydrophobicContact CD1-CB 4.49Å; I153-V160 HydrophobicContact CD1-CG1 4.12Å; I153-V160 HydrophobicContact CD1-CG2 4.08Å; I153-V160 HydrophobicContact CG1-CG2 4.31Å
154N94.4Very high93.7Very high65 Ų6538.8 Ų38.835%0.34822%0.218SC..  trans-144.9-179179.560.363000111.1M156 S157N154-M156 PolarHBondContact O-N 3.4Å; N154-M156 WeakPolarHBondContact OD1-CA 3.38Å; N154-M156 VanDerWaalsContact OD1-CB 3.24Å; N154-M156 WeakPolarHBondContact OD1-CB 3.4Å; N154-M156 PolarHBondContact OD1-N 3.45Å; N154-S157 PolarHBondContact N-OG 2.92Å; N154-S157 VanDerWaalsContact N-OG 3.1Å; N154-S157 VanDerWaalsContact O-CB 3.26Å; N154-S157 WeakPolarHBondContact O-CB 3.32Å; N154-S157 PolarHBondContact O-N 2.97Å; N154-S157 PolarHBondContact O-OG 2.96Å
155S95.1Very high93.8Very high59 Ų5938.8 Ų38.841%0.41322%0.218SC..THydrogen-bonded Turntrans-64-12.7-178610000114.7F121 V122 R158F121-S155 WeakPolarHBondContact O-CA 3.33Å; V122-S155 WeakPolarHBondContact O-CB 3.34Å; S155-R158 PolarHBondContact O-NH1 2.68Å
156M94.2Very high93.6Very high125 Ų12534.8 Ų34.862%0.61620%0.199SC*.THydrogen-bonded Turntrans-92.8-5.8174.8-56.8-59.8-65.400112.8N154 R158N154-M156 PolarHBondContact O-N 3.4Å; N154-M156 WeakPolarHBondContact OD1-CA 3.38Å; N154-M156 VanDerWaalsContact OD1-CB 3.24Å; N154-M156 WeakPolarHBondContact OD1-CB 3.4Å; N154-M156 PolarHBondContact OD1-N 3.45Å; M156-R158 PolarHBondContact O-NH1 3.1Å
157S95.9Very high93.4Very high3 Ų329.8 Ų29.82%0.02117%0.172CC..  trans-63.8140.5174.8-59.20000110.8N154N154-S157 PolarHBondContact N-OG 2.92Å; N154-S157 VanDerWaalsContact N-OG 3.1Å; N154-S157 VanDerWaalsContact O-CB 3.26Å; N154-S157 WeakPolarHBondContact O-CB 3.32Å; N154-S157 PolarHBondContact O-N 2.97Å; N154-S157 PolarHBondContact O-OG 2.96Å
158R95.3Very high93.1Very high44 Ų4432.6 Ų32.617%0.16618%0.184CC..  trans-127.1-50-175.7-61.5-64.7178-96.21.3112G94 E95 F98 S155 M156 L313 V314 S316G94-R158 CarbonylContact C-O 3.59Å; G94-R158 WeakPolarHBondContact CA-O 3.49Å; E95-R158 PolarHBondContact N-O 2.82Å; F98-R158 VanDerWaalsContact CE2-CD 3.45Å; S155-R158 PolarHBondContact O-NH1 2.68Å; M156-R158 PolarHBondContact O-NH1 3.1Å; R158-L313 HydrophobicContact CB-CD1 4.28Å; R158-V314 HydrophobicContact CB-CG1 4.25Å; R158-V314 HydrophobicContact CG-CG1 4.18Å; R158-S316 PolarHBondContact N-OG 3.17Å
159L96.3Very high92.8Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-137.6124.8175.3-173.266.9000108.6I42 L92 Y93 I307 L313 V314 L315 S316 E317I42-L159 HydrophobicContact CD1-CD2 3.82Å; L92-L159 HydrophobicContact CB-CD1 4.36Å; L92-L159 HydrophobicContact CD2-CD1 4.37Å; Y93-L159 CarbonylContact O-C 3.51Å; Y93-L159 WeakPolarHBondContact O-CA 3.32Å; L159-I307 HydrophobicContact CD2-CD1 4.08Å; L159-L313 HydrophobicContact CB-CD1 4.04Å; L159-L313 HydrophobicContact CB-CG 4.38Å; L159-L313 HydrophobicContact CD2-CD2 4.3Å; L159-V314 WeakPolarHBondContact CB-O 3.42Å; L159-V314 PolarHBondContact N-O 3.28Å; L159-L315 HydrophobicContact CD2-CD1 4.18Å; L159-L315 HydrophobicContact CG-CD1 4.2Å; L159-S316 PolarHBondContact N-OG 3.45Å; L159-S316 WeakPolarHBondContact O-CA 3.31Å; L159-S316 WeakPolarHBondContact O-CB 3.42Å; L159-S316 PolarHBondContact O-N 3.41Å; L159-E317 PolarHBondContact O-N 2.88Å
160V96.9Very high92.7Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-121125.2179.2177.30000108.4Y93 F121 I153 V162 E317Y93-V160 PolarHBondContact N-O 2.98Å; Y93-V160 PolarHBondContact O-N 2.77Å; F121-V160 HydrophobicContact CE1-CG2 4.48Å; F121-V160 HydrophobicContact CE2-CG2 3.98Å; F121-V160 HydrophobicContact CZ-CB 4.12Å; F121-V160 HydrophobicContact CZ-CG2 3.72Å; I153-V160 HydrophobicContact CD1-CB 4.49Å; I153-V160 HydrophobicContact CD1-CG1 4.12Å; I153-V160 HydrophobicContact CD1-CG2 4.08Å; I153-V160 HydrophobicContact CG1-CG2 4.31Å; V160-V162 HydrophobicContact CG1-CG2 4.2Å; V160-E317 HydrophobicContact CG1-CB 4.09Å; V160-E317 HydrophobicContact CG2-CB 4.23Å
161L96.1Very high92.8Very high2 Ų225.6 Ų25.61%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-97.5119.5173.317560.6000109.8A38 L39 M41 I42 L92 L315 E317 V318 V319A38-L161 HydrophobicContact CB-CD1 3.84Å; A38-L161 HydrophobicContact CB-CD2 3.82Å; A38-L161 HydrophobicContact CB-CG 4.24Å; L39-L161 HydrophobicContact CD2-CD2 4.11Å; M41-L161 HydrophobicContact CE-CD1 3.61Å; I42-L161 HydrophobicContact CG1-CD2 4.19Å; L92-L161 HydrophobicContact CD2-CB 3.88Å; L92-L161 HydrophobicContact CD2-CD1 3.56Å; L92-L161 HydrophobicContact CD2-CG 4.26Å; L92-L161 HydrophobicContact CG-CD1 4.31Å; L161-L315 HydrophobicContact CB-CD1 4.07Å; L161-E317 PolarHBondContact N-O 3.45Å; L161-V318 HydrophobicContact CB-CG1 4.41Å; L161-V318 HydrophobicContact CB-CG2 4.35Å; L161-V318 HydrophobicContact CD2-CG1 3.98Å; L161-V318 HydrophobicContact CG-CG1 4.35Å; L161-V319 PolarHBondContact O-N 3.14Å
162V94.4Very high92.9Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-107124.1177.2160.20000109N90 R91 Y93 I132 W135 V136 L147 V160N90-V162 WeakPolarHBondContact CA-O 3.42Å; R91-V162 PolarHBondContact N-O 2.99Å; R91-V162 PolarHBondContact O-N 3.14Å; Y93-V162 HydrophobicContact CD2-CB 4.24Å; Y93-V162 HydrophobicContact CD2-CG2 3.95Å; Y93-V162 HydrophobicContact CE2-CB 3.97Å; Y93-V162 HydrophobicContact CE2-CG1 4.43Å; Y93-V162 HydrophobicContact CE2-CG2 3.93Å; I132-V162 HydrophobicContact CG2-CG2 3.75Å; W135-V162 HydrophobicContact CZ3-CG1 4.48Å; V136-V162 HydrophobicContact CG2-CG1 3.64Å; L147-V162 HydrophobicContact CD2-CB 4.14Å; L147-V162 HydrophobicContact CD2-CG1 3.28Å; L147-V162 HydrophobicContact CD2-CG2 4.01Å; V160-V162 HydrophobicContact CG1-CG2 4.2Å
163N93.7Very high93Very high3 Ų326.3 Ų26.32%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-126.5118172.5-163.7-77.4000109.3S34 N90 V319 H320 K321S34-N163 WeakPolarHBondContact CB-OD1 3.48Å; S34-N163 PolarHBondContact O-ND2 2.93Å; S34-N163 PolarHBondContact OG-ND2 3.48Å; S34-N163 PolarHBondContact OG-OD1 3.04Å; N90-N163 VanDerWaalsContact OD1-CG 3.28Å; N90-N163 PolarHBondContact OD1-ND2 2.87Å; N163-V319 PolarHBondContact N-O 3.45Å; N163-H320 HydrophobicContact CB-CB 4.46Å; N163-H320 CarbonylContact O-C 3.58Å; N163-H320 VanDerWaalsContact O-CA 3.28Å; N163-H320 WeakPolarHBondContact O-CA 3.37Å; N163-H320 PolarHBondContact OD1-CE1 3.06Å; N163-H320 PolarHBondContact OD1-ND1 2.96Å; N163-K321 PolarHBondContact O-N 3.41Å
164A92.3Very high93Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-133.8136.5170.900000110.1T88 A89 V136 T140 I144 L147 K321T88-A164 CarbonylContact C-O 3.57Å; A89-A164 HydrophobicContact CB-CB 4.21Å; A89-A164 PolarHBondContact N-O 3.15Å; A89-A164 PolarHBondContact O-N 2.85Å; V136-A164 HydrophobicContact CG1-CB 3.57Å; T140-A164 HydrophobicContact CG2-CB 4.31Å; I144-A164 HydrophobicContact CD1-CB 3.86Å; I144-A164 HydrophobicContact CG2-CB 4.15Å; L147-A164 HydrophobicContact CD1-CB 4.35Å; A164-K321 VanDerWaalsContact CA-O 3.26Å; A164-K321 WeakPolarHBondContact CA-O 3.37Å
165I91.4Very high92.9Very high1 Ų125.6 Ų25.61%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-143.9129.6-175.5-172173000112.1L86 R87 T88 K321 S322 F323 F372L86-I165 HydrophobicContact CD1-CD1 3.99Å; L86-I165 HydrophobicContact CD1-CG1 4.11Å; R87-I165 VanDerWaalsContact O-CA 3.31Å; R87-I165 WeakPolarHBondContact O-CA 3.39Å; T88-I165 HydrophobicContact CG2-CB 4.43Å; T88-I165 HydrophobicContact CG2-CD1 3.67Å; T88-I165 HydrophobicContact CG2-CG1 3.78Å; I165-K321 PolarHBondContact N-O 3.17Å; I165-S322 WeakPolarHBondContact O-CA 3.34Å; I165-F323 PolarHBondContact O-N 3.08Å; I165-F323 VanDerWaalsContact O-N 3.08Å; I165-F372 HydrophobicContact CD1-CE1 3.89Å; I165-F372 HydrophobicContact CD1-CE2 4.41Å; I165-F372 HydrophobicContact CD1-CZ 3.53Å; I165-F372 HydrophobicContact CG1-CE1 3.99Å; I165-F372 HydrophobicContact CG1-CZ 3.74Å; I165-F372 HydrophobicContact CG2-CE1 3.91Å
166Y88.9Confident92.7Very high7 Ų725.9 Ų25.93%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-118.5132178.9161.8-117.7000109.5V85 R87 K143 K168 F323V85-Y166 HydrophobicContact CG1-CD1 4.27Å; V85-Y166 HydrophobicContact CG1-CE1 3.78Å; R87-Y166 HydrophobicContact CB-CD1 4.17Å; R87-Y166 HydrophobicContact CG-CD1 4.07Å; R87-Y166 PolarHBondContact N-O 3.02Å; R87-Y166 PolarHBondContact O-N 2.89Å; K143-Y166 HydrophobicContact CB-CD1 4.44Å; K143-Y166 HydrophobicContact CB-CD2 3.99Å; K143-Y166 HydrophobicContact CB-CE2 4.34Å; K143-Y166 HydrophobicContact CB-CG 4.03Å; K143-Y166 HydrophobicContact CD-CE2 4.21Å; K143-Y166 HydrophobicContact CG-CD1 4.04Å; K143-Y166 HydrophobicContact CG-CD2 3.97Å; K143-Y166 HydrophobicContact CG-CE1 3.92Å; K143-Y166 HydrophobicContact CG-CE2 3.85Å; K143-Y166 HydrophobicContact CG-CG 4.06Å; Y166-K168 HydrophobicContact CE1-CB 4.36Å; Y166-K168 HydrophobicContact CE2-CB 4.11Å; Y166-K168 VanDerWaalsContact OH-CB 3.28Å; Y166-K168 WeakPolarHBondContact OH-CB 3.4Å; Y166-K168 WeakPolarHBondContact OH-CD 3.2Å; Y166-F323 HydrophobicContact CD2-CB 4.27Å; Y166-F323 AromaticContact CD2-CD1 3.48Å; Y166-F323 HydrophobicContact CD2-CD1 3.48Å; Y166-F323 VanDerWaalsContact CD2-CD1 3.48Å; Y166-F323 HydrophobicContact CD2-CE1 4.1Å; Y166-F323 HydrophobicContact CD2-CG 4.15Å; Y166-F323 AromaticContact CE2-CD1 3.71Å; Y166-F323 HydrophobicContact CE2-CD1 3.71Å; Y166-F323 AromaticContact CE2-CE1 3.85Å; Y166-F323 HydrophobicContact CE2-CE1 3.85Å
167F87.5Confident92.7Very high1 Ų125.3 Ų25.30%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-122.8133.5173.5170.8-103.7000111.2Y84 V85 L86 Y221 L226 F323 V324 I362 F372Y84-F167 HydrophobicContact CD2-CE2 4.31Å; Y84-F167 HydrophobicContact CG-CE2 4.39Å; V85-F167 WeakPolarHBondContact O-CA 3.27Å; L86-F167 HydrophobicContact CD1-CB 4.17Å; L86-F167 HydrophobicContact CD1-CD2 4.23Å; F167-Y221 AromaticContact CE1-CE1 3.98Å; F167-Y221 HydrophobicContact CE1-CE1 3.98Å; F167-Y221 HydrophobicContact CE1-CE2 4.2Å; F167-Y221 AromaticContact CE1-CZ 3.64Å; F167-Y221 WeakPolarHBondContact CE1-OH 3.38Å; F167-Y221 HydrophobicContact CZ-CD1 4.21Å; F167-Y221 HydrophobicContact CZ-CD2 4.33Å; F167-Y221 AromaticContact CZ-CE1 3.83Å; F167-Y221 HydrophobicContact CZ-CE1 3.83Å; F167-Y221 AromaticContact CZ-CE2 3.95Å; F167-Y221 HydrophobicContact CZ-CE2 3.95Å; F167-Y221 HydrophobicContact CZ-CG 4.46Å; F167-Y221 AromaticContact CZ-CZ 3.68Å; F167-L226 HydrophobicContact CD2-CD1 4.24Å; F167-L226 HydrophobicContact CE2-CD1 3.32Å; F167-L226 HydrophobicContact CZ-CD1 3.86Å; F167-F323 PolarHBondContact N-O 3.21Å; F167-V324 HydrophobicContact CD1-CG2 4.12Å; F167-I362 HydrophobicContact CD1-CD1 3.62Å; F167-I362 HydrophobicContact CE1-CD1 3.63Å; F167-I362 HydrophobicContact CG-CD1 4.47Å; F167-I362 HydrophobicContact CZ-CD1 4.48Å; F167-I362 HydrophobicContact CZ-CG2 4.42Å; F167-F372 HydrophobicContact CB-CD2 4.48Å; F167-F372 HydrophobicContact CB-CE1 4.27Å; F167-F372 HydrophobicContact CB-CE2 3.63Å; F167-F372 HydrophobicContact CB-CZ 3.49Å; F167-F372 VanDerWaalsContact CB-CZ 3.49Å; F167-F372 HydrophobicContact CD2-CE2 4.33Å; F167-F372 AromaticContact CG-CE2 3.99Å; F167-F372 HydrophobicContact CG-CE2 3.99Å; F167-F372 HydrophobicContact CG-CZ 4.35Å
168K86.1Confident92.6Very high61 Ų6133.4 Ų33.427%0.26516%0.16SC..EExtended strand (participates in β ladder)trans-136.8119.3163.7175.2173.7-178171.80109V85 Y166 E329V85-K168 HydrophobicContact CB-CB 4.26Å; V85-K168 PolarHBondContact N-O 2.87Å; V85-K168 PolarHBondContact O-N 2.96Å; Y166-K168 HydrophobicContact CE1-CB 4.36Å; Y166-K168 HydrophobicContact CE2-CB 4.11Å; Y166-K168 VanDerWaalsContact OH-CB 3.28Å; Y166-K168 WeakPolarHBondContact OH-CB 3.4Å; Y166-K168 WeakPolarHBondContact OH-CD 3.2Å; K168-E329 IonicContact NZ-OE2 2.63Å; K168-E329 PolarHBondContact NZ-OE2 3.07Å
169G87.6Confident92.6Very high10 Ų1036.4 Ų36.410%0.10317%0.174CC..  trans-120.3155.5174.800000111.1Y221G169-Y221 VanDerWaalsContact C-CD1 3.48Å
170N91.8Very high92.7Very high46 Ų4637.2 Ų37.225%0.24618%0.179CC..  trans-102.5131.7175-84.7-2.6000109Y221 V222N170-Y221 CarbonylContact O-C 3.58Å; N170-Y221 VanDerWaalsContact O-CA 3.24Å; N170-Y221 WeakPolarHBondContact O-CA 3.41Å; N170-Y221 WeakPolarHBondContact O-CB 3.39Å; N170-Y221 VanDerWaalsContact O-CD1 3.31Å; N170-Y221 WeakPolarHBondContact O-CD1 3.32Å; N170-V222 HydrophobicContact CB-CG2 3.69Å; N170-V222 WeakPolarHBondContact O-CG2 3.36Å; N170-V222 PolarHBondContact O-N 3.2Å
171W94.8Very high92.7Very high5 Ų540.3 Ų40.32%0.01920%0.198CC..BIsolated β-bridgetrans-63.4143.9177.6-59.4113.7000111.6Q174 F175 L219 Y221 M228 L273 V326 N327 E329W171-Q174 HydrophobicContact CB-CG 4.37Å; W171-F175 AromaticContact CD1-CD2 3.77Å; W171-F175 HydrophobicContact CD2-CE2 4.23Å; W171-F175 AromaticContact CE2-CE2 3.9Å; W171-F175 HydrophobicContact CG-CD2 4.36Å; W171-F175 HydrophobicContact CG-CE2 4.29Å; W171-F175 HydrophobicContact CZ2-CE2 4.43Å; W171-F175 AromaticContact NE1-CD2 3.73Å; W171-F175 AromaticContact NE1-CE2 3.74Å; W171-L219 HydrophobicContact CE3-CB 4.11Å; W171-L219 HydrophobicContact CH2-CB 4.4Å; W171-L219 HydrophobicContact CH2-CD1 4.38Å; W171-L219 HydrophobicContact CZ3-CB 3.65Å; W171-L219 HydrophobicContact CZ3-CD1 4.37Å; W171-Y221 HydrophobicContact CD2-CE1 4.27Å; W171-Y221 HydrophobicContact CE3-CD1 4.08Å; W171-Y221 AromaticContact CE3-CE1 3.86Å; W171-Y221 HydrophobicContact CE3-CE1 3.86Å; W171-Y221 HydrophobicContact CH2-CE1 4.04Å; W171-Y221 HydrophobicContact CH2-CE2 4.41Å; W171-Y221 AromaticContact CH2-CZ 3.71Å; W171-Y221 WeakPolarHBondContact CH2-OH 3.37Å; W171-Y221 HydrophobicContact CZ2-CE1 4.43Å; W171-Y221 HydrophobicContact CZ3-CD1 4.29Å; W171-Y221 HydrophobicContact CZ3-CD2 4.42Å; W171-Y221 AromaticContact CZ3-CE1 3.73Å; W171-Y221 HydrophobicContact CZ3-CE1 3.73Å; W171-Y221 AromaticContact CZ3-CE2 3.89Å; W171-Y221 HydrophobicContact CZ3-CE2 3.89Å; W171-Y221 AromaticContact CZ3-CZ 3.5Å; W171-Y221 VanDerWaalsContact CZ3-CZ 3.5Å; W171-M228 HydrophobicContact CH2-CB 3.99Å; W171-M228 HydrophobicContact CH2-CE 4Å; W171-M228 HydrophobicContact CH2-SD 3.79Å; W171-M228 HydrophobicContact CZ3-CB 3.93Å; W171-L273 HydrophobicContact CZ2-CD2 4.34Å; W171-V326 HydrophobicContact CZ2-CG1 3.98Å; W171-N327 PolarHBondContact NE1-O 2.94Å; W171-E329 PolarHBondContact N-O 3.47Å; W171-E329 VanDerWaalsContact N-O 3.09Å
172E93.9Very high92.8Very high97 Ų9746.7 Ų46.745%0.45323%0.227SC..SBendtrans-64.1-47.6167.2-178.566.9-159.100109.7P220 V222 D223E172-P220 HydrophobicContact CB-CB 4.09Å; E172-P220 HydrophobicContact CB-CG 3.97Å; E172-P220 WeakPolarHBondContact CB-O 3.27Å; E172-P220 HydrophobicContact CG-CG 4.4Å; E172-P220 PolarHBondContact N-O 3.31Å; E172-V222 VanDerWaalsContact OE2-CA 3.22Å; E172-V222 WeakPolarHBondContact OE2-CA 3.32Å; E172-D223 PolarHBondContact OE2-N 2.93Å
173S93.2Very high93Very high22 Ų2251.6 Ų51.615%0.15425%0.246CC..SBendtrans-112.7104.8172-175.50000110.4N200 D202S173-N200 PolarHBondContact O-ND2 3.11Å; S173-N200 PolarHBondContact OG-ND2 3.22Å; S173-D202 WeakPolarHBondContact CB-OD2 3.43Å; S173-D202 PolarHBondContact OG-OD2 3.35Å
174Q92.6Very high93.2Very high46 Ų4655.5 Ų55.522%0.21527%0.271CS..PPolyproline II helixtrans-71.9154.2-174.4-77-178.36800114.6W171 N200 G330 T331 E332W171-Q174 HydrophobicContact CB-CG 4.37Å; Q174-N200 PolarHBondContact O-ND2 2.71Å; Q174-G330 VanDerWaalsContact CD-O 3.23Å; Q174-G330 VanDerWaalsContact CG-CA 3.45Å; Q174-G330 VanDerWaalsContact CG-N 3.33Å; Q174-G330 PolarHBondContact NE2-O 3.39Å; Q174-G330 PolarHBondContact OE1-O 3.3Å; Q174-T331 PolarHBondContact NE2-O 3.43Å; Q174-E332 VanDerWaalsContact NE2-CA 3.35Å
175F93.8Very high93.5Very high5 Ų555.5 Ų55.52%0.02227%0.271CS..PPolyproline II helixtrans-81.4137168.3-62.8-94.7000109.9W171 K177 M198 N200 L219 V271 L273 E328W171-F175 AromaticContact CD1-CD2 3.77Å; W171-F175 HydrophobicContact CD2-CE2 4.23Å; W171-F175 AromaticContact CE2-CE2 3.9Å; W171-F175 HydrophobicContact CG-CD2 4.36Å; W171-F175 HydrophobicContact CG-CE2 4.29Å; W171-F175 HydrophobicContact CZ2-CE2 4.43Å; W171-F175 AromaticContact NE1-CD2 3.73Å; W171-F175 AromaticContact NE1-CE2 3.74Å; F175-K177 PolarHBondContact O-N 2.95Å; F175-M198 HydrophobicContact CB-CB 3.93Å; F175-M198 HydrophobicContact CB-SD 4.45Å; F175-M198 HydrophobicContact CD1-CB 3.51Å; F175-M198 HydrophobicContact CD2-CE 4.04Å; F175-M198 HydrophobicContact CD2-SD 4.4Å; F175-M198 HydrophobicContact CE1-CB 4.18Å; F175-M198 HydrophobicContact CE2-CE 4.11Å; F175-M198 HydrophobicContact CG-CB 3.75Å; F175-M198 HydrophobicContact CG-CE 4.31Å; F175-M198 HydrophobicContact CG-SD 4.34Å; F175-M198 HydrophobicContact CZ-CE 4.44Å; F175-N200 HydrophobicContact CD1-CB 3.62Å; F175-N200 HydrophobicContact CE1-CB 3.78Å; F175-N200 HydrophobicContact CG-CB 4.25Å; F175-L219 HydrophobicContact CZ-CD1 4.32Å; F175-V271 HydrophobicContact CE1-CB 4.49Å; F175-V271 HydrophobicContact CE1-CG1 4.12Å; F175-V271 HydrophobicContact CZ-CG1 4.23Å; F175-L273 HydrophobicContact CE1-CB 4.11Å; F175-L273 HydrophobicContact CE2-CD2 4.37Å; F175-L273 HydrophobicContact CZ-CB 4.01Å; F175-L273 HydrophobicContact CZ-CD2 4.06Å; F175-E328 HydrophobicContact CB-CB 4Å; F175-E328 HydrophobicContact CB-CG 3.86Å; F175-E328 PolarHBondContact N-O 3.08Å; F175-E328 WeakPolarHBondContact O-CB 3.3Å
176N91Very high93.7Very high66 Ų6659.8 Ų59.835%0.35329%0.29SS..PPolyproline II helixtrans-76117.2174.8-177.7-22.9000109.3E178 K179 T180N176-E178 PolarHBondContact O-N 3.21Å; N176-E178 VanDerWaalsContact O-N 3.17Å; N176-E178 VanDerWaalsContact OD1-CB 3.31Å; N176-E178 WeakPolarHBondContact OD1-CB 3.44Å; N176-E178 PolarHBondContact OD1-N 3.15Å; N176-K179 HydrophobicContact CB-CB 4.27Å; N176-K179 HydrophobicContact CB-CD 4.16Å; N176-K179 HydrophobicContact CB-CG 4.02Å; N176-K179 WeakPolarHBondContact O-CA 3.39Å; N176-K179 PolarHBondContact O-N 2.94Å; N176-T180 PolarHBondContact O-N 2.89Å
177K93.5Very high94Very high113 Ų11360.6 Ų60.649%0.49129%0.294SS..G310 helixtrans-53.2-35178.3-70.5-179.7177.7179.20112.7F175 K179 T180 E328 E329F175-K177 PolarHBondContact O-N 2.95Å; K177-K179 VanDerWaalsContact C-N 3.27Å; K177-K179 PolarHBondContact O-N 2.94Å; K177-T180 WeakPolarHBondContact O-CB 3.41Å; K177-T180 PolarHBondContact O-N 2.84Å; K177-E328 HydrophobicContact CG-CB 3.67Å; K177-E328 HydrophobicContact CG-CG 3.79Å; K177-E329 IonicContact NZ-OE1 3.25Å; K177-E329 PolarHBondContact NZ-OE1 3.42Å
178E94Very high94.1Very high173 Ų17362.6 Ų62.681%0.80831%0.305SS*.G310 helixtrans-71.4-20.1177.8-56.5-178.9163.500113.6N176N176-E178 PolarHBondContact O-N 3.21Å; N176-E178 VanDerWaalsContact O-N 3.17Å; N176-E178 VanDerWaalsContact OD1-CB 3.31Å; N176-E178 WeakPolarHBondContact OD1-CB 3.44Å; N176-E178 PolarHBondContact OD1-N 3.15Å
179K95.2Very high94.2Very high107 Ų10765.7 Ų65.747%0.46532%0.319SS..G310 helixtrans-93.4-1.6176.4-61.8-171.9-177.5174.10113N176 K177 V181 F199N176-K179 HydrophobicContact CB-CB 4.27Å; N176-K179 HydrophobicContact CB-CD 4.16Å; N176-K179 HydrophobicContact CB-CG 4.02Å; N176-K179 WeakPolarHBondContact O-CA 3.39Å; N176-K179 PolarHBondContact O-N 2.94Å; K177-K179 VanDerWaalsContact C-N 3.27Å; K177-K179 PolarHBondContact O-N 2.94Å; K179-V181 PolarHBondContact O-N 3.37Å; K179-F199 HydrophobicContact CB-CB 4.15Å; K179-F199 HydrophobicContact CB-CD1 4.38Å; K179-F199 HydrophobicContact CD-CD1 3.78Å; K179-F199 HydrophobicContact CD-CE1 4.36Å
180T97.3Very high94.3Very high17 Ų1772.7 Ų72.710%0.10435%0.354CS..  trans-76.9122.4174.4-59.70000109N176 K177 Q196 M197 M198 E328N176-T180 PolarHBondContact O-N 2.89Å; K177-T180 WeakPolarHBondContact O-CB 3.41Å; K177-T180 PolarHBondContact O-N 2.84Å; T180-Q196 HydrophobicContact CG2-CB 3.95Å; T180-M197 WeakPolarHBondContact CA-O 3.22Å; T180-M198 HydrophobicContact CG2-CG 4.22Å; T180-E328 WeakPolarHBondContact CG2-OE1 3.35Å; T180-E328 PolarHBondContact OG1-OE1 3.23Å; T180-E328 VanDerWaalsContact OG1-OE1 3.06Å
181V97.9Very high94.4Very high64 Ų6475.1 Ų75.139%0.38836%0.364SS..EExtended strand (participates in β ladder)trans-136.2150.3-175.9-65.20000110.5K179 R183 M197K179-V181 PolarHBondContact O-N 3.37Å; V181-R183 HydrophobicContact CG2-CG 4.1Å; V181-R183 PolarHBondContact O-N 2.86Å; V181-M197 PolarHBondContact N-O 3.09Å; V181-M197 VanDerWaalsContact N-O 3.1Å; V181-M197 WeakPolarHBondContact O-CB 3.34Å; V181-M197 PolarHBondContact O-N 3.07Å
182E98.5Very high94.4Very high136 Ų13677.9 Ų77.964%0.63638%0.384SS*.EExtended strand (participates in β ladder)trans-64.5127.8173-169.6175.295.600110.3P194 V195E182-P194 HydrophobicContact CG-CB 3.79Å; E182-V195 CarbonylContact C-O 3.57Å; E182-V195 WeakPolarHBondContact CA-O 3.45Å
183R98.1Very high94.6Very high104 Ų10477.1 Ų77.139%0.39238%0.379SS..EExtended strand (participates in β ladder)trans-138156.8174.5-67.1-164.6-179.7177.80.5110.8V181 V195 M197V181-R183 HydrophobicContact CG2-CG 4.1Å; V181-R183 PolarHBondContact O-N 2.86Å; R183-V195 PolarHBondContact N-O 2.82Å; R183-V195 VanDerWaalsContact O-CG1 3.27Å; R183-V195 WeakPolarHBondContact O-CG1 3.46Å; R183-V195 PolarHBondContact O-N 3.49Å; R183-M197 HydrophobicContact CB-CB 3.89Å; R183-M197 HydrophobicContact CG-CB 3.92Å; R183-M197 HydrophobicContact CG-CG 4.48Å
184P97.9Very high94.8Very high84 Ų8480.1 Ų80.155%0.54540%0.398SS..EExtended strand (participates in β ladder)trans-69.8136.1172.628.6-34.4000111.2
185F98.1Very high95.1Very high0 Ų078.3 Ų78.30%039%0.39CS..EExtended strand (participates in β ladder)trans-108.8119.5165.3-170.6-86.4000108.9I187 S192 K193 V195 P274 A354 D355 H356 P357 F358 F376 C377F185-I187 HydrophobicContact CD1-CG2 3.95Å; F185-I187 HydrophobicContact CE1-CG2 4.44Å; F185-I187 PolarHBondContact O-N 2.66Å; F185-S192 CarbonylContact O-C 3.01Å; F185-S192 WeakPolarHBondContact O-CA 3.36Å; F185-S192 WeakPolarHBondContact O-CB 3.37Å; F185-K193 PolarHBondContact N-O 2.73Å; F185-K193 PolarHBondContact O-N 2.98Å; F185-V195 HydrophobicContact CB-CB 4.33Å; F185-V195 HydrophobicContact CB-CG1 3.61Å; F185-V195 HydrophobicContact CD2-CG1 4.43Å; F185-V195 HydrophobicContact CG-CG1 4.47Å; F185-P274 HydrophobicContact CE2-CG 4.31Å; F185-A354 WeakPolarHBondContact CE2-O 2.92Å; F185-D355 CarbonylContact C-O 3.59Å; F185-D355 VanDerWaalsContact CA-O 3.3Å; F185-D355 WeakPolarHBondContact CA-O 3.26Å; F185-D355 VanDerWaalsContact CD2-C 3.46Å; F185-H356 WeakPolarHBondContact CE2-O 3.3Å; F185-H356 VanDerWaalsContact CZ-O 3.23Å; F185-H356 WeakPolarHBondContact CZ-O 3.48Å; F185-P357 HydrophobicContact CE1-CG 4.39Å; F185-F358 HydrophobicContact CE2-CE1 4.19Å; F185-F376 HydrophobicContact CD2-CE1 4.04Å; F185-F376 HydrophobicContact CE1-CD1 4.33Å; F185-F376 HydrophobicContact CE1-CE1 4.21Å; F185-F376 AromaticContact CE2-CD1 3.67Å; F185-F376 HydrophobicContact CE2-CD1 3.67Å; F185-F376 AromaticContact CE2-CE1 3.52Å; F185-F376 HydrophobicContact CE2-CE1 3.52Å; F185-F376 AromaticContact CZ-CD1 3.48Å; F185-F376 HydrophobicContact CZ-CD1 3.48Å; F185-F376 VanDerWaalsContact CZ-CD1 3.48Å; F185-F376 AromaticContact CZ-CE1 3.6Å; F185-F376 HydrophobicContact CZ-CE1 3.6Å; F185-C377 WeakPolarHBondContact CE1-O 3.31Å
186K96.8Very high95.3Very high92 Ų9281.8 Ų81.840%0.441%0.406SS..EExtended strand (participates in β ladder)trans-74.6115.7177.1-59.4167.3-172.5128.10108.1E191 I236 D355 H356 P357K186-E191 WeakPolarHBondContact CA-O 3.32Å; K186-I236 HydrophobicContact CB-CD1 4Å; K186-D355 PolarHBondContact N-O 3.31Å; K186-D355 IonicContact NZ-OD1 3.92Å; K186-D355 IonicContact NZ-OD2 2.7Å; K186-D355 PolarHBondContact NZ-OD2 2.97Å; K186-H356 HydrophobicContact CB-CB 4Å; K186-H356 WeakPolarHBondContact O-CA 3.43Å; K186-P357 VanDerWaalsContact O-CD 3.31Å; K186-P357 WeakPolarHBondContact O-CD 3.45Å
187I93.8Very high95.6Very high23 Ų2378.7 Ų78.712%0.11839%0.39CS..SBendtrans-88.1-23176.464.5173.8000111.5F185 E191 K193F185-I187 HydrophobicContact CD1-CG2 3.95Å; F185-I187 HydrophobicContact CE1-CG2 4.44Å; F185-I187 PolarHBondContact O-N 2.66Å; I187-E191 HydrophobicContact CD1-CB 4.01Å; I187-E191 HydrophobicContact CD1-CG 3.63Å; I187-E191 WeakPolarHBondContact CD1-OE1 3.17Å; I187-E191 WeakPolarHBondContact CD1-OE2 3.38Å; I187-E191 HydrophobicContact CG1-CB 3.75Å; I187-E191 HydrophobicContact CG1-CG 3.87Å; I187-E191 PolarHBondContact N-O 2.83Å; I187-K193 HydrophobicContact CG2-CD 4.36Å; I187-K193 HydrophobicContact CG2-CG 4.37Å
188N89.8Confident95.9Very high43 Ų4373.3 Ų73.323%0.2337%0.366CS..SBendtrans-156.4-174.4171.661.559.5000108.6N190 E191 S240N188-N190 PolarHBondContact O-N 3.36Å; N188-N190 PolarHBondContact OD1-N 3.19Å; N188-E191 PolarHBondContact OD1-N 3.43Å; N188-S240 WeakPolarHBondContact CB-O 3.35Å
189K88.7Confident96Very high126 Ų12667.3 Ų67.355%0.54834%0.338SS..SBendtrans-59.4-25.8-178.9-74.7176.7174.7159.40115.1I236 Q237 D238K189-I236 WeakPolarHBondContact CE-O 3.34Å; K189-I236 HydrophobicContact CG-CB 4.32Å; K189-I236 HydrophobicContact CG-CG2 3.96Å; K189-Q237 WeakPolarHBondContact CE-O 3.45Å; K189-Q237 PolarHBondContact NZ-O 3.03Å; K189-D238 WeakPolarHBondContact CE-O 3.41Å; K189-D238 PolarHBondContact NZ-O 3.27Å
190N89.8Confident96Very high158 Ų15863.2 Ų63.285%0.84532%0.321SS*.SBendtrans-115.3-18.4-168.6-59-40.1000113.3N188N188-N190 PolarHBondContact O-N 3.36Å; N188-N190 PolarHBondContact OD1-N 3.19Å
191E93.4Very high95.9Very high96 Ų9666.6 Ų66.645%0.44933%0.334SS..  trans-122.2142.5-171.7-168.2179169.300111.4K186 I187 N188K186-E191 WeakPolarHBondContact CA-O 3.32Å; I187-E191 HydrophobicContact CD1-CB 4.01Å; I187-E191 HydrophobicContact CD1-CG 3.63Å; I187-E191 WeakPolarHBondContact CD1-OE1 3.17Å; I187-E191 WeakPolarHBondContact CD1-OE2 3.38Å; I187-E191 HydrophobicContact CG1-CB 3.75Å; I187-E191 HydrophobicContact CG1-CG 3.87Å; I187-E191 PolarHBondContact N-O 2.83Å; N188-E191 PolarHBondContact OD1-N 3.43Å
192S96Very high95.8Very high63 Ų6366.3 Ų66.344%0.44133%0.331SS..EExtended strand (participates in β ladder)trans-139.1149173.7-590000110.9F185F185-S192 CarbonylContact O-C 3.01Å; F185-S192 WeakPolarHBondContact O-CA 3.36Å; F185-S192 WeakPolarHBondContact O-CB 3.37Å
193K97Very high95.6Very high82 Ų8263 Ų6336%0.35732%0.317SS..EExtended strand (participates in β ladder)trans-121.7148175-69.4-176.8-177.31720110.6F185 I187 S378 P379F185-K193 PolarHBondContact N-O 2.73Å; F185-K193 PolarHBondContact O-N 2.98Å; I187-K193 HydrophobicContact CG2-CD 4.36Å; I187-K193 HydrophobicContact CG2-CG 4.37Å; K193-S378 PolarHBondContact NZ-OG 2.91Å; K193-S378 VanDerWaalsContact NZ-OG 3.07Å; K193-P379 HydrophobicContact CB-CG 3.84Å; K193-P379 HydrophobicContact CD-CG 4.43Å
194P97.9Very high95.5Very high85 Ų8558.3 Ų58.355%0.55230%0.3SS*.EExtended strand (participates in β ladder)trans-67.6143.2174.229.2-33.9000110.7E182E182-P194 HydrophobicContact CG-CB 3.79Å
195V98.1Very high95.5Very high8 Ų856 Ų565%0.04828%0.282CS..EExtended strand (participates in β ladder)trans-142.1148.4174.554.70000109.8E182 R183 F185 M197 P274 P379E182-V195 CarbonylContact C-O 3.57Å; E182-V195 WeakPolarHBondContact CA-O 3.45Å; R183-V195 PolarHBondContact N-O 2.82Å; R183-V195 VanDerWaalsContact O-CG1 3.27Å; R183-V195 WeakPolarHBondContact O-CG1 3.46Å; R183-V195 PolarHBondContact O-N 3.49Å; F185-V195 HydrophobicContact CB-CB 4.33Å; F185-V195 HydrophobicContact CB-CG1 3.61Å; F185-V195 HydrophobicContact CD2-CG1 4.43Å; F185-V195 HydrophobicContact CG-CG1 4.47Å; V195-M197 HydrophobicContact CG1-CE 4.02Å; V195-M197 PolarHBondContact O-N 3.47Å; V195-M197 VanDerWaalsContact O-N 3.17Å; V195-P274 HydrophobicContact CG2-CB 3.36Å; V195-P379 HydrophobicContact CB-CB 4.17Å; V195-P379 HydrophobicContact CB-CG 4.34Å; V195-P379 HydrophobicContact CG2-CB 4.32Å
196Q98.3Very high95.4Very high77 Ų7757 Ų5736%0.3629%0.288SS..EExtended strand (participates in β ladder)trans-73.6102.5168.1-65.4-58.3-46.400108.8T180 R275T180-Q196 HydrophobicContact CG2-CB 3.95Å; Q196-R275 HydrophobicContact CB-CB 4.14Å; Q196-R275 PolarHBondContact O-N 2.83Å
197M98.4Very high95.4Very high2 Ų253.8 Ų53.81%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-91.3110-178.3-170.46967.300109.4T180 V181 R183 V195 S272 L273 D355T180-M197 WeakPolarHBondContact CA-O 3.22Å; V181-M197 PolarHBondContact N-O 3.09Å; V181-M197 VanDerWaalsContact N-O 3.1Å; V181-M197 WeakPolarHBondContact O-CB 3.34Å; V181-M197 PolarHBondContact O-N 3.07Å; R183-M197 HydrophobicContact CB-CB 3.89Å; R183-M197 HydrophobicContact CG-CB 3.92Å; R183-M197 HydrophobicContact CG-CG 4.48Å; V195-M197 HydrophobicContact CG1-CE 4.02Å; V195-M197 PolarHBondContact O-N 3.47Å; V195-M197 VanDerWaalsContact O-N 3.17Å; M197-S272 VanDerWaalsContact SD-C 3.59Å; M197-L273 PolarHBondContact SD-N 3.39Å; M197-D355 HydrophobicContact CE-CB 4.16Å
198M98.1Very high95.5Very high0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-73.3151.1175-50.2-174.8-62.400109.6F175 T180 S272 L273 R275 V326 E328F175-M198 HydrophobicContact CB-CB 3.93Å; F175-M198 HydrophobicContact CB-SD 4.45Å; F175-M198 HydrophobicContact CD1-CB 3.51Å; F175-M198 HydrophobicContact CD2-CE 4.04Å; F175-M198 HydrophobicContact CD2-SD 4.4Å; F175-M198 HydrophobicContact CE1-CB 4.18Å; F175-M198 HydrophobicContact CE2-CE 4.11Å; F175-M198 HydrophobicContact CG-CB 3.75Å; F175-M198 HydrophobicContact CG-CE 4.31Å; F175-M198 HydrophobicContact CG-SD 4.34Å; F175-M198 HydrophobicContact CZ-CE 4.44Å; T180-M198 HydrophobicContact CG2-CG 4.22Å; M198-S272 VanDerWaalsContact O-CA 3.26Å; M198-S272 WeakPolarHBondContact O-CA 3.33Å; M198-L273 WeakPolarHBondContact CA-O 3.47Å; M198-L273 VanDerWaalsContact CB-O 3.3Å; M198-L273 WeakPolarHBondContact CB-O 3.2Å; M198-L273 HydrophobicContact CE-CB 4.21Å; M198-L273 HydrophobicContact CE-CD2 3.91Å; M198-L273 HydrophobicContact CE-CG 4.21Å; M198-L273 PolarHBondContact N-O 2.92Å; M198-L273 PolarHBondContact O-N 3.44Å; M198-R275 HydrophobicContact CG-CB 4.05Å; M198-R275 HydrophobicContact SD-CB 4.07Å; M198-V326 HydrophobicContact CE-CG1 3.85Å; M198-E328 HydrophobicContact CG-CG 4.07Å; M198-E328 WeakPolarHBondContact CG-OE1 3.28Å; M198-E328 HydrophobicContact SD-CB 4.39Å; M198-E328 HydrophobicContact SD-CG 3.7Å; M198-E328 PolarHBondContact SD-N 3.25Å
199F97.1Very high95.7Very high46 Ų4656.9 Ų56.920%0.20229%0.285CS..EExtended strand (participates in β ladder)trans-134.3131.9179.4179.3-89.8000112.3K179 K201 K270 V271K179-F199 HydrophobicContact CB-CB 4.15Å; K179-F199 HydrophobicContact CB-CD1 4.38Å; K179-F199 HydrophobicContact CD-CD1 3.78Å; K179-F199 HydrophobicContact CD-CE1 4.36Å; F199-K201 HydrophobicContact CE1-CB 4.2Å; F199-K201 HydrophobicContact CZ-CB 4.3Å; F199-K270 HydrophobicContact CE2-CB 3.97Å; F199-K270 HydrophobicContact CZ-CB 4.14Å; F199-K270 HydrophobicContact CZ-CD 4.31Å; F199-K270 HydrophobicContact CZ-CG 4.26Å; F199-V271 WeakPolarHBondContact CA-O 3.49Å
200N94.8Very high95.9Very high21 Ų2153.1 Ų53.111%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-136.4152.4171-165.48.8000110.6S173 Q174 F175 V271S173-N200 PolarHBondContact O-ND2 3.11Å; S173-N200 PolarHBondContact OG-ND2 3.22Å; Q174-N200 PolarHBondContact O-ND2 2.71Å; F175-N200 HydrophobicContact CD1-CB 3.62Å; F175-N200 HydrophobicContact CE1-CB 3.78Å; F175-N200 HydrophobicContact CG-CB 4.25Å; N200-V271 PolarHBondContact N-O 3.39Å; N200-V271 PolarHBondContact O-N 3.34Å
201K95.4Very high95.8Very high89 Ų8953.1 Ų53.139%0.38728%0.282SS..EExtended strand (participates in β ladder)trans-134.9105.9172.9-178.9179.8-171.1-960107.8F199 E268 V269 K270F199-K201 HydrophobicContact CE1-CB 4.2Å; F199-K201 HydrophobicContact CZ-CB 4.3Å; K201-E268 WeakPolarHBondContact CE-OE2 3.21Å; K201-E268 HydrophobicContact CG-CG 4.21Å; K201-E268 IonicContact NZ-OE1 2.75Å; K201-E268 PolarHBondContact NZ-OE1 3.4Å; K201-E268 IonicContact NZ-OE2 3.96Å; K201-E268 PolarHBondContact NZ-OE2 3.09Å; K201-V269 WeakPolarHBondContact CA-O 3.47Å; K201-K270 HydrophobicContact CD-CG 4.16Å; K201-K270 HydrophobicContact CG-CG 4.15Å
202D95Very high95.7Very high58 Ų5849.8 Ų49.831%0.3127%0.266SS..EExtended strand (participates in β ladder)trans-157.6178.9-177.8-153-16.8000109.9S173 F204 E268 V269S173-D202 WeakPolarHBondContact CB-OD2 3.43Å; S173-D202 PolarHBondContact OG-OD2 3.35Å; D202-F204 HydrophobicContact CB-CD2 4.41Å; D202-F204 HydrophobicContact CB-CE2 3.62Å; D202-F204 HydrophobicContact CB-CZ 3.79Å; D202-F204 VanDerWaalsContact O-CD2 3.32Å; D202-F204 WeakPolarHBondContact O-CD2 3.43Å; D202-E268 CarbonylContact O-C 3.46Å; D202-E268 WeakPolarHBondContact O-CA 3.32Å; D202-V269 PolarHBondContact N-O 3.48Å; D202-V269 PolarHBondContact O-N 3.33Å
203N95.4Very high95.6Very high67 Ų6750.7 Ų50.736%0.35826%0.263SS..EExtended strand (participates in β ladder)trans-81.7125.3174.9-60.9-61000111.4Y266 T267 E268N203-Y266 HydrophobicContact CB-CD1 4.37Å; N203-Y266 HydrophobicContact CB-CD2 4.48Å; N203-Y266 HydrophobicContact CB-CE1 3.7Å; N203-Y266 HydrophobicContact CB-CE2 3.82Å; N203-Y266 WeakPolarHBondContact CB-OH 3.35Å; N203-Y266 WeakPolarHBondContact O-CE2 3.33Å; N203-T267 CarbonylContact C-O 3.54Å; N203-T267 VanDerWaalsContact CA-O 3.26Å; N203-T267 WeakPolarHBondContact CA-O 3.34Å; N203-E268 WeakPolarHBondContact OD1-CA 3.22Å; N203-E268 PolarHBondContact OD1-N 2.83Å
204F96.6Very high95.6Very high5 Ų546.8 Ų46.82%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-135.8156.6178.5-62.4-74.6000110.5D202 M206 L217 L219 T267 V269 V271D202-F204 HydrophobicContact CB-CD2 4.41Å; D202-F204 HydrophobicContact CB-CE2 3.62Å; D202-F204 HydrophobicContact CB-CZ 3.79Å; D202-F204 VanDerWaalsContact O-CD2 3.32Å; D202-F204 WeakPolarHBondContact O-CD2 3.43Å; F204-M206 PolarHBondContact O-N 3.3Å; F204-L217 HydrophobicContact CB-CD1 3.66Å; F204-L217 HydrophobicContact CG-CD1 4.26Å; F204-L219 HydrophobicContact CD1-CD2 3.68Å; F204-L219 HydrophobicContact CE1-CD2 3.57Å; F204-L219 HydrophobicContact CG-CD2 4.21Å; F204-L219 HydrophobicContact CZ-CD2 4.02Å; F204-T267 PolarHBondContact N-O 2.83Å; F204-T267 PolarHBondContact O-N 2.67Å; F204-T267 VanDerWaalsContact O-N 3.08Å; F204-V269 HydrophobicContact CD2-CB 4.31Å; F204-V271 HydrophobicContact CD2-CG2 3.73Å; F204-V271 HydrophobicContact CE2-CG2 3.72Å
205N97.3Very high95.6Very high34 Ų3445.6 Ų45.618%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-73.5125.3167.4-68.6-29000108.7E218 M264 D265 Y266N205-E218 HydrophobicContact CB-CB 3.95Å; N205-E218 PolarHBondContact ND2-OE2 3.29Å; N205-E218 PolarHBondContact O-N 3.42Å; N205-M264 HydrophobicContact CB-CB 3.8Å; N205-M264 HydrophobicContact CB-CE 4.01Å; N205-M264 HydrophobicContact CB-SD 3.98Å; N205-M264 WeakPolarHBondContact O-CE 3.26Å; N205-D265 WeakPolarHBondContact CA-O 3.4Å; N205-Y266 WeakPolarHBondContact OD1-CB 3.11Å; N205-Y266 WeakPolarHBondContact OD1-CD2 3.23Å
206M96.3Very high95.6Very high23 Ų2345.2 Ų45.211%0.11323%0.23CC..EExtended strand (participates in β ladder)trans-133.9144.1177-172.4177173.300110.6F204 K215 I216 L217 D265 V269 P350 F352F204-M206 PolarHBondContact O-N 3.3Å; M206-K215 HydrophobicContact CE-CB 4.09Å; M206-K215 HydrophobicContact CE-CD 3.89Å; M206-K215 HydrophobicContact CE-CG 3.94Å; M206-I216 VanDerWaalsContact CA-O 3.25Å; M206-I216 WeakPolarHBondContact CA-O 3.48Å; M206-I216 VanDerWaalsContact CG-O 3.3Å; M206-I216 WeakPolarHBondContact CG-O 3.3Å; M206-L217 HydrophobicContact CB-CD1 4.48Å; M206-D265 PolarHBondContact N-O 3.29Å; M206-D265 PolarHBondContact O-N 2.72Å; M206-V269 HydrophobicContact CB-CG2 4.31Å; M206-V269 HydrophobicContact SD-CG1 4.19Å; M206-V269 HydrophobicContact SD-CG2 3.96Å; M206-P350 HydrophobicContact SD-CB 4.11Å; M206-F352 HydrophobicContact CE-CD2 4.34Å
207S95.9Very high95.6Very high24 Ų2441.5 Ų41.517%0.16821%0.213CC..EExtended strand (participates in β ladder)trans-142.2172.8169.767.10000110.6I216 W258S207-I216 PolarHBondContact N-O 2.81Å; S207-I216 PolarHBondContact O-N 3.5Å; S207-W258 PolarHBondContact OG-O 3.27Å
208Y96Very high95.6Very high117 Ų11741.8 Ų41.846%0.45921%0.214SC..EExtended strand (participates in β ladder)trans-139.6131.1179.3180-100.7000110.8Q213 T214 K215 D234Y208-Q213 VanDerWaalsContact OH-CA 3.29Å; Y208-Q213 WeakPolarHBondContact OH-CA 3.2Å; Y208-T214 WeakPolarHBondContact CA-O 3.35Å; Y208-T214 WeakPolarHBondContact CD2-O 3.18Å; Y208-K215 HydrophobicContact CD2-CG 3.86Å; Y208-K215 HydrophobicContact CE2-CG 4.34Å; Y208-D234 PolarHBondContact OH-OD2 2.97Å
209I94.4Very high95.6Very high14 Ų1442 Ų427%0.07222%0.215CC..EExtended strand (participates in β ladder)trans-102.1104.4179.1-52.7158.8000108.3D211 F212 Q213 T214 I216 W258I209-D211 PolarHBondContact O-N 3.08Å; I209-F212 HydrophobicContact CG2-CB 4.27Å; I209-F212 HydrophobicContact CG2-CD2 3.75Å; I209-F212 HydrophobicContact CG2-CG 4.5Å; I209-F212 PolarHBondContact O-N 3.3Å; I209-Q213 WeakPolarHBondContact O-CA 3.42Å; I209-Q213 PolarHBondContact O-N 3.02Å; I209-T214 HydrophobicContact CD1-CG2 4.44Å; I209-T214 PolarHBondContact N-O 2.84Å; I209-T214 PolarHBondContact O-N 2.75Å; I209-T214 VanDerWaalsContact O-N 3.15Å; I209-I216 HydrophobicContact CD1-CD1 3.4Å; I209-I216 VanDerWaalsContact CD1-CD1 3.4Å; I209-I216 HydrophobicContact CD1-CG1 4.06Å; I209-I216 HydrophobicContact CG1-CD1 3.99Å; I209-W258 HydrophobicContact CD1-CB 4.06Å; I209-W258 HydrophobicContact CD1-CD2 3.26Å; I209-W258 HydrophobicContact CD1-CE3 3.33Å; I209-W258 HydrophobicContact CD1-CG 3.59Å; I209-W258 HydrophobicContact CD1-CH2 4.25Å; I209-W258 HydrophobicContact CD1-CZ2 4.22Å; I209-W258 HydrophobicContact CD1-CZ3 3.82Å; I209-W258 HydrophobicContact CG1-CD2 4.04Å; I209-W258 HydrophobicContact CG1-CG 4Å; I209-W258 HydrophobicContact CG2-CZ2 4.05Å
210G92.1Very high95.5Very high46 Ų4641.1 Ų41.147%0.47421%0.214SC..G310 helixtrans-58.6-43.5-178.100000113.6F212 Q213G210-F212 PolarHBondContact O-N 2.82Å; G210-Q213 PolarHBondContact O-N 3.42Å
211D89.3Confident95.5Very high158 Ų15840.4 Ų40.485%0.84521%0.21SC*.G310 helixtrans-61.9-28.1-176.8-66.7-12000113.4I209I209-D211 PolarHBondContact O-N 3.08Å
212F90.4Very high95.4Very high27 Ų2737.3 Ų37.312%0.11820%0.199CC..G310 helixtrans-111.31.3-179.4-68.9-86.1000113.2I209 G210 T214 L246 E249 W258I209-F212 HydrophobicContact CG2-CB 4.27Å; I209-F212 HydrophobicContact CG2-CD2 3.75Å; I209-F212 HydrophobicContact CG2-CG 4.5Å; I209-F212 PolarHBondContact O-N 3.3Å; G210-F212 PolarHBondContact O-N 2.82Å; F212-T214 PolarHBondContact O-N 2.87Å; F212-T214 PolarHBondContact O-OG1 3.16Å; F212-L246 HydrophobicContact CB-CD2 3.76Å; F212-L246 HydrophobicContact CD1-CD2 3.71Å; F212-L246 HydrophobicContact CD1-CG 4.24Å; F212-L246 HydrophobicContact CG-CD2 3.77Å; F212-E249 HydrophobicContact CE1-CB 3.76Å; F212-E249 HydrophobicContact CE1-CG 4.32Å; F212-E249 HydrophobicContact CZ-CB 3.67Å; F212-E249 HydrophobicContact CZ-CG 4.43Å; F212-E249 WeakPolarHBondContact CZ-OE2 3.35Å; F212-W258 AromaticContact CD2-CH2 3.56Å; F212-W258 HydrophobicContact CD2-CH2 3.56Å; F212-W258 AromaticContact CD2-CZ2 3.72Å; F212-W258 HydrophobicContact CD2-CZ2 3.72Å; F212-W258 AromaticContact CE2-CH2 3.46Å; F212-W258 HydrophobicContact CE2-CH2 3.46Å; F212-W258 VanDerWaalsContact CE2-CH2 3.46Å; F212-W258 AromaticContact CE2-CZ2 3.56Å; F212-W258 HydrophobicContact CE2-CZ2 3.56Å; F212-W258 HydrophobicContact CG-CH2 4.28Å; F212-W258 HydrophobicContact CZ-CH2 4.1Å
213Q94.7Very high95.2Very high81 Ų8139.4 Ų39.438%0.37921%0.21SC..THydrogen-bonded Turntrans44.750.6-172.6-56.7-177.4-75.800112Y208 I209 G210 P233 D234Y208-Q213 VanDerWaalsContact OH-CA 3.29Å; Y208-Q213 WeakPolarHBondContact OH-CA 3.2Å; I209-Q213 WeakPolarHBondContact O-CA 3.42Å; I209-Q213 PolarHBondContact O-N 3.02Å; G210-Q213 PolarHBondContact O-N 3.42Å; Q213-P233 CarbonylContact O-C 3.54Å; Q213-P233 WeakPolarHBondContact O-CA 3.33Å; Q213-D234 HydrophobicContact CB-CB 4.42Å; Q213-D234 PolarHBondContact O-N 3.31Å
214T96.6Very high95Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-125.4127-168.1-67.10000110.4Y208 I209 F212 L231 L232 L246Y208-T214 WeakPolarHBondContact CA-O 3.35Å; Y208-T214 WeakPolarHBondContact CD2-O 3.18Å; I209-T214 HydrophobicContact CD1-CG2 4.44Å; I209-T214 PolarHBondContact N-O 2.84Å; I209-T214 PolarHBondContact O-N 2.75Å; I209-T214 VanDerWaalsContact O-N 3.15Å; F212-T214 PolarHBondContact O-N 2.87Å; F212-T214 PolarHBondContact O-OG1 3.16Å; T214-L231 HydrophobicContact CG2-CB 4.04Å; T214-L231 HydrophobicContact CG2-CG 4.45Å; T214-L232 CarbonylContact C-O 3.59Å; T214-L232 WeakPolarHBondContact CA-O 3.38Å; T214-L246 HydrophobicContact CG2-CD1 4.02Å; T214-L246 HydrophobicContact CG2-CD2 4.32Å
215K97.7Very high94.8Very high60 Ų6042.5 Ų42.526%0.26123%0.225SC..EExtended strand (participates in β ladder)trans-83.8141.1170.5-64.5172.6-174.6176.20109.7M206 Y208 L232 D234 E351 F352M206-K215 HydrophobicContact CE-CB 4.09Å; M206-K215 HydrophobicContact CE-CD 3.89Å; M206-K215 HydrophobicContact CE-CG 3.94Å; Y208-K215 HydrophobicContact CD2-CG 3.86Å; Y208-K215 HydrophobicContact CE2-CG 4.34Å; K215-L232 PolarHBondContact N-O 3.48Å; K215-L232 PolarHBondContact O-N 3.36Å; K215-D234 WeakPolarHBondContact CE-OD1 3.35Å; K215-E351 PolarHBondContact NZ-O 3.02Å; K215-F352 HydrophobicContact CB-CD2 3.91Å; K215-F352 HydrophobicContact CB-CE2 3.7Å; K215-F352 HydrophobicContact CD-CD2 4.38Å
216I98.1Very high94.7Very high0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-117.7132.2171.4-60.5-176.6000109.1M206 S207 I209 I229 I230 L231 W258 M264M206-I216 VanDerWaalsContact CA-O 3.25Å; M206-I216 WeakPolarHBondContact CA-O 3.48Å; M206-I216 VanDerWaalsContact CG-O 3.3Å; M206-I216 WeakPolarHBondContact CG-O 3.3Å; S207-I216 PolarHBondContact N-O 2.81Å; S207-I216 PolarHBondContact O-N 3.5Å; I209-I216 HydrophobicContact CD1-CD1 3.4Å; I209-I216 VanDerWaalsContact CD1-CD1 3.4Å; I209-I216 HydrophobicContact CD1-CG1 4.06Å; I209-I216 HydrophobicContact CG1-CD1 3.99Å; I216-I229 HydrophobicContact CG2-CG2 3.72Å; I216-I230 VanDerWaalsContact CA-O 3.26Å; I216-I230 WeakPolarHBondContact CA-O 3.42Å; I216-L231 HydrophobicContact CD1-CD1 4.18Å; I216-L231 HydrophobicContact CD1-CG 4.06Å; I216-L231 HydrophobicContact CG1-CD1 4.16Å; I216-L231 HydrophobicContact CG1-CG 3.97Å; I216-L231 HydrophobicContact CG2-CD1 4.37Å; I216-W258 HydrophobicContact CD1-CB 3.58Å; I216-W258 HydrophobicContact CD1-CG 4.4Å; I216-M264 HydrophobicContact CB-CE 4.27Å; I216-M264 HydrophobicContact CG2-CE 3.66Å
217L98.4Very high94.7Very high0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-126.5133.3174-177.671.9000109.8F204 M206 L219 I229 I230 V271 F352F204-L217 HydrophobicContact CB-CD1 3.66Å; F204-L217 HydrophobicContact CG-CD1 4.26Å; M206-L217 HydrophobicContact CB-CD1 4.48Å; L217-L219 HydrophobicContact CD2-CD1 4.25Å; L217-L219 HydrophobicContact CD2-CD2 3.79Å; L217-L219 HydrophobicContact CD2-CG 3.93Å; L217-L219 HydrophobicContact CG-CD2 4.15Å; L217-L219 HydrophobicContact CG-CG 4.19Å; L217-I229 CarbonylContact O-C 3.59Å; L217-I229 WeakPolarHBondContact O-CA 3.13Å; L217-I230 PolarHBondContact N-O 2.93Å; L217-I230 VanDerWaalsContact N-O 3.07Å; L217-I230 PolarHBondContact O-N 2.83Å; L217-V271 HydrophobicContact CD1-CG2 4.35Å; L217-V271 HydrophobicContact CD2-CB 4.31Å; L217-V271 HydrophobicContact CD2-CG1 3.62Å; L217-V271 HydrophobicContact CD2-CG2 3.68Å; L217-F352 HydrophobicContact CB-CD1 4.19Å; L217-F352 HydrophobicContact CB-CD2 3.67Å; L217-F352 HydrophobicContact CB-CE1 4.06Å; L217-F352 HydrophobicContact CB-CE2 3.52Å; L217-F352 HydrophobicContact CB-CG 4Å; L217-F352 HydrophobicContact CB-CZ 3.72Å; L217-F352 HydrophobicContact CD2-CB 4.16Å; L217-F352 HydrophobicContact CD2-CD1 3.53Å; L217-F352 HydrophobicContact CD2-CD2 4.28Å; L217-F352 HydrophobicContact CD2-CE1 3.92Å; L217-F352 HydrophobicContact CD2-CG 3.73Å; L217-F352 HydrophobicContact CD2-CZ 4.44Å; L217-F352 HydrophobicContact CG-CD1 4.48Å; L217-F352 HydrophobicContact CG-CD2 4.47Å; L217-F352 HydrophobicContact CG-CG 4.37Å
218E98.2Very high94.8Very high8 Ų838.7 Ų38.74%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-101.9121.8169-169.1-177.1-176.400110.1N205 S227 I229 M264 R363N205-E218 HydrophobicContact CB-CB 3.95Å; N205-E218 PolarHBondContact ND2-OE2 3.29Å; N205-E218 PolarHBondContact O-N 3.42Å; E218-S227 WeakPolarHBondContact OE1-CB 3.23Å; E218-S227 PolarHBondContact OE1-OG 3.02Å; E218-I229 HydrophobicContact CG-CG1 4.26Å; E218-M264 HydrophobicContact CB-CE 4.34Å; E218-R363 IonicContact OE1-CZ 3.68Å; E218-R363 IonicContact OE1-NH2 3.6Å; E218-R363 PolarHBondContact OE1-NH2 3.14Å; E218-R363 IonicContact OE2-NH2 2.91Å
219L97.1Very high94.9Very high4 Ų433.2 Ų33.22%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-110.8102.2174.5-65.6177.1000109W171 F175 F204 L217 S227 M228 I230 V271 L273W171-L219 HydrophobicContact CE3-CB 4.11Å; W171-L219 HydrophobicContact CH2-CB 4.4Å; W171-L219 HydrophobicContact CH2-CD1 4.38Å; W171-L219 HydrophobicContact CZ3-CB 3.65Å; W171-L219 HydrophobicContact CZ3-CD1 4.37Å; F175-L219 HydrophobicContact CZ-CD1 4.32Å; F204-L219 HydrophobicContact CD1-CD2 3.68Å; F204-L219 HydrophobicContact CE1-CD2 3.57Å; F204-L219 HydrophobicContact CG-CD2 4.21Å; F204-L219 HydrophobicContact CZ-CD2 4.02Å; L217-L219 HydrophobicContact CD2-CD1 4.25Å; L217-L219 HydrophobicContact CD2-CD2 3.79Å; L217-L219 HydrophobicContact CD2-CG 3.93Å; L217-L219 HydrophobicContact CG-CD2 4.15Å; L217-L219 HydrophobicContact CG-CG 4.19Å; L219-S227 WeakPolarHBondContact O-CA 3.25Å; L219-M228 HydrophobicContact CB-CB 4.39Å; L219-M228 PolarHBondContact N-O 3.45Å; L219-M228 PolarHBondContact O-N 2.95Å; L219-I230 HydrophobicContact CD1-CD1 4Å; L219-V271 HydrophobicContact CD2-CG1 4.44Å; L219-L273 HydrophobicContact CD1-CD2 3.94Å
220P96.6Very high95.1Very high28 Ų2832.5 Ų32.518%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-70.6142.9179.426.1-30.7000111.7E172 N224E172-P220 HydrophobicContact CB-CB 4.09Å; E172-P220 HydrophobicContact CB-CG 3.97Å; E172-P220 WeakPolarHBondContact CB-O 3.27Å; E172-P220 HydrophobicContact CG-CG 4.4Å; E172-P220 PolarHBondContact N-O 3.31Å; P220-N224 WeakPolarHBondContact CB-OD1 3.32Å
221Y94.3Very high95.4Very high6 Ų630.3 Ų30.32%0.02416%0.155CC..BIsolated β-bridgetrans-85.7167.2163-67.6-86000110F167 G169 N170 W171 D223 N224 L226 M228 I362F167-Y221 AromaticContact CE1-CE1 3.98Å; F167-Y221 HydrophobicContact CE1-CE1 3.98Å; F167-Y221 HydrophobicContact CE1-CE2 4.2Å; F167-Y221 AromaticContact CE1-CZ 3.64Å; F167-Y221 WeakPolarHBondContact CE1-OH 3.38Å; F167-Y221 HydrophobicContact CZ-CD1 4.21Å; F167-Y221 HydrophobicContact CZ-CD2 4.33Å; F167-Y221 AromaticContact CZ-CE1 3.83Å; F167-Y221 HydrophobicContact CZ-CE1 3.83Å; F167-Y221 AromaticContact CZ-CE2 3.95Å; F167-Y221 HydrophobicContact CZ-CE2 3.95Å; F167-Y221 HydrophobicContact CZ-CG 4.46Å; F167-Y221 AromaticContact CZ-CZ 3.68Å; G169-Y221 VanDerWaalsContact C-CD1 3.48Å; N170-Y221 CarbonylContact O-C 3.58Å; N170-Y221 VanDerWaalsContact O-CA 3.24Å; N170-Y221 WeakPolarHBondContact O-CA 3.41Å; N170-Y221 WeakPolarHBondContact O-CB 3.39Å; N170-Y221 VanDerWaalsContact O-CD1 3.31Å; N170-Y221 WeakPolarHBondContact O-CD1 3.32Å; W171-Y221 HydrophobicContact CD2-CE1 4.27Å; W171-Y221 HydrophobicContact CE3-CD1 4.08Å; W171-Y221 AromaticContact CE3-CE1 3.86Å; W171-Y221 HydrophobicContact CE3-CE1 3.86Å; W171-Y221 HydrophobicContact CH2-CE1 4.04Å; W171-Y221 HydrophobicContact CH2-CE2 4.41Å; W171-Y221 AromaticContact CH2-CZ 3.71Å; W171-Y221 WeakPolarHBondContact CH2-OH 3.37Å; W171-Y221 HydrophobicContact CZ2-CE1 4.43Å; W171-Y221 HydrophobicContact CZ3-CD1 4.29Å; W171-Y221 HydrophobicContact CZ3-CD2 4.42Å; W171-Y221 AromaticContact CZ3-CE1 3.73Å; W171-Y221 HydrophobicContact CZ3-CE1 3.73Å; W171-Y221 AromaticContact CZ3-CE2 3.89Å; W171-Y221 HydrophobicContact CZ3-CE2 3.89Å; W171-Y221 AromaticContact CZ3-CZ 3.5Å; W171-Y221 VanDerWaalsContact CZ3-CZ 3.5Å; Y221-D223 PolarHBondContact O-N 3.12Å; Y221-N224 WeakPolarHBondContact O-CA 3.24Å; Y221-N224 PolarHBondContact O-N 3.11Å; Y221-L226 WeakPolarHBondContact CB-O 3.14Å; Y221-L226 HydrophobicContact CD2-CB 3.76Å; Y221-L226 HydrophobicContact CG-CB 4.32Å; Y221-L226 PolarHBondContact N-O 3.3Å; Y221-M228 HydrophobicContact CE2-CB 3.96Å; Y221-M228 WeakPolarHBondContact OH-CE 3.22Å; Y221-I362 HydrophobicContact CE2-CG2 4.4Å
222V92.9Very high95.8Very high24 Ų2423 Ų2315%0.14512%0.116CC..G310 helixtrans-44.2136.7-178.8170.40000112.5K83 N170 E172 N224K83-V222 HydrophobicContact CB-CB 4.22Å; K83-V222 HydrophobicContact CB-CG1 3.79Å; K83-V222 HydrophobicContact CG-CG1 3.91Å; N170-V222 HydrophobicContact CB-CG2 3.69Å; N170-V222 WeakPolarHBondContact O-CG2 3.36Å; N170-V222 PolarHBondContact O-N 3.2Å; E172-V222 VanDerWaalsContact OE2-CA 3.22Å; E172-V222 WeakPolarHBondContact OE2-CA 3.32Å; V222-N224 PolarHBondContact O-N 3.22Å; V222-N224 VanDerWaalsContact O-N 3.14Å
223D90.8Very high96.1Very high101 Ų10122 Ų2254%0.5411%0.112SC..G310 helixtrans62.411.7-179-66.9-20.5000113.4K83 E172 Y221 E225K83-D223 VanDerWaalsContact CE-OD2 3.32Å; K83-D223 WeakPolarHBondContact CE-OD2 3.36Å; K83-D223 WeakPolarHBondContact CG-OD2 3.49Å; E172-D223 PolarHBondContact OE2-N 2.93Å; Y221-D223 PolarHBondContact O-N 3.12Å; D223-E225 HydrophobicContact CB-CG 4.16Å; D223-E225 PolarHBondContact O-N 3.24Å; D223-E225 VanDerWaalsContact O-N 3.14Å
224N91.8Very high96.1Very high85 Ų8521.2 Ų21.246%0.45511%0.111SC..G310 helixtrans54.427.3-177.1-16339.6000113.3P220 Y221 V222 N365P220-N224 WeakPolarHBondContact CB-OD1 3.32Å; Y221-N224 WeakPolarHBondContact O-CA 3.24Å; Y221-N224 PolarHBondContact O-N 3.11Å; V222-N224 PolarHBondContact O-N 3.22Å; V222-N224 VanDerWaalsContact O-N 3.14Å; N224-N365 WeakPolarHBondContact O-CB 3.19Å; N224-N365 PolarHBondContact O-ND2 2.96Å; N224-N365 PolarHBondContact OD1-ND2 2.93Å; N224-N365 VanDerWaalsContact OD1-ND2 3.07Å
225E92.3Very high95.9Very high53 Ų5323.4 Ų23.425%0.24813%0.129CC..SBendtrans-68.3-39.1177.7-64.8-167.9123.600111.3T82 K83 Y84 D223 H364 N365T82-E225 WeakPolarHBondContact CA-OE2 3.28Å; K83-E225 PolarHBondContact N-OE2 2.94Å; Y84-E225 HydrophobicContact CD1-CB 4.24Å; Y84-E225 WeakPolarHBondContact CD1-OE2 2.91Å; Y84-E225 HydrophobicContact CE1-CB 3.92Å; Y84-E225 WeakPolarHBondContact CE1-OE2 3.36Å; D223-E225 HydrophobicContact CB-CG 4.16Å; D223-E225 PolarHBondContact O-N 3.24Å; D223-E225 VanDerWaalsContact O-N 3.14Å; E225-H364 PolarHBondContact O-CD2 3.14Å; E225-N365 PolarHBondContact O-N 3.42Å
226L94.6Very high95.7Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-126.4153.9177.2-57.1177.4000110.1Y84 F167 Y221 I362 R363 H364 L371Y84-L226 HydrophobicContact CD1-CD1 3.63Å; Y84-L226 HydrophobicContact CD1-CG 3.85Å; Y84-L226 HydrophobicContact CD2-CD1 3.75Å; Y84-L226 HydrophobicContact CE1-CD1 3.85Å; Y84-L226 HydrophobicContact CE1-CD2 4.21Å; Y84-L226 HydrophobicContact CE1-CG 3.77Å; Y84-L226 HydrophobicContact CE2-CD1 3.96Å; Y84-L226 HydrophobicContact CG-CD1 3.55Å; Y84-L226 HydrophobicContact CG-CG 4.3Å; F167-L226 HydrophobicContact CD2-CD1 4.24Å; F167-L226 HydrophobicContact CE2-CD1 3.32Å; F167-L226 HydrophobicContact CZ-CD1 3.86Å; Y221-L226 WeakPolarHBondContact CB-O 3.14Å; Y221-L226 HydrophobicContact CD2-CB 3.76Å; Y221-L226 HydrophobicContact CG-CB 4.32Å; Y221-L226 PolarHBondContact N-O 3.3Å; L226-I362 HydrophobicContact CB-CG2 4.46Å; L226-I362 HydrophobicContact CD1-CG2 4.42Å; L226-R363 CarbonylContact C-O 3.6Å; L226-R363 WeakPolarHBondContact CA-O 3.49Å; L226-H364 HydrophobicContact CD2-CB 3.72Å; L226-L371 HydrophobicContact CD2-CD1 3.74Å
227S96.7Very high95.1Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-131.7139.2168-68.20000110.9E218 L219 I362 R363 N365E218-S227 WeakPolarHBondContact OE1-CB 3.23Å; E218-S227 PolarHBondContact OE1-OG 3.02Å; L219-S227 WeakPolarHBondContact O-CA 3.25Å; S227-I362 WeakPolarHBondContact O-CA 3.44Å; S227-R363 PolarHBondContact N-O 2.81Å; S227-R363 PolarHBondContact O-N 3.19Å; S227-N365 PolarHBondContact OG-ND2 3.36Å; S227-N365 PolarHBondContact OG-OD1 3.35Å
228M97.8Very high94.4Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-85.6126161.1-177.9175.8-74.800108.9W171 L219 Y221 I230 V326 F360 F361 I362W171-M228 HydrophobicContact CH2-CB 3.99Å; W171-M228 HydrophobicContact CH2-CE 4Å; W171-M228 HydrophobicContact CH2-SD 3.79Å; W171-M228 HydrophobicContact CZ3-CB 3.93Å; L219-M228 HydrophobicContact CB-CB 4.39Å; L219-M228 PolarHBondContact N-O 3.45Å; L219-M228 PolarHBondContact O-N 2.95Å; Y221-M228 HydrophobicContact CE2-CB 3.96Å; Y221-M228 WeakPolarHBondContact OH-CE 3.22Å; M228-I230 HydrophobicContact CG-CG1 4.04Å; M228-I230 HydrophobicContact SD-CD1 4.19Å; M228-I230 HydrophobicContact SD-CG1 4.26Å; M228-V326 HydrophobicContact CE-CG2 3.69Å; M228-F360 HydrophobicContact CE-CD2 4.05Å; M228-F360 HydrophobicContact CE-CE2 4.35Å; M228-F360 HydrophobicContact CG-CB 4.44Å; M228-F360 HydrophobicContact SD-CD2 4.43Å; M228-F361 CarbonylContact C-O 3.58Å; M228-F361 WeakPolarHBondContact CA-O 3.42Å; M228-I362 HydrophobicContact CE-CD1 4.25Å; M228-I362 HydrophobicContact CE-CG1 4.28Å
229I98.3Very high93.5Very high2 Ų231.7 Ų31.71%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-112.7127.3176.9-58.4154.3000107.9I216 L217 E218 L231 I259 F360 F361 R363I216-I229 HydrophobicContact CG2-CG2 3.72Å; L217-I229 CarbonylContact O-C 3.59Å; L217-I229 WeakPolarHBondContact O-CA 3.13Å; E218-I229 HydrophobicContact CG-CG1 4.26Å; I229-L231 HydrophobicContact CG2-CD1 3.94Å; I229-I259 HydrophobicContact CD1-CB 3.97Å; I229-I259 HydrophobicContact CD1-CD1 3.82Å; I229-I259 HydrophobicContact CD1-CG1 4.29Å; I229-I259 HydrophobicContact CD1-CG2 4.28Å; I229-I259 HydrophobicContact CG2-CB 4.27Å; I229-I259 HydrophobicContact CG2-CG2 3.65Å; I229-F360 CarbonylContact O-C 3.58Å; I229-F360 WeakPolarHBondContact O-CA 3.5Å; I229-F361 PolarHBondContact N-O 3.36Å; I229-F361 PolarHBondContact O-N 2.86Å; I229-R363 HydrophobicContact CD1-CB 3.92Å
230I98.5Very high92.8Very high0 Ų032.1 Ų32.10%020%0.195CC..EExtended strand (participates in β ladder)trans-116.8126-175.7-53.3178.7000109I216 L217 L219 M228 L273 F352 F358 L359 F360I216-I230 VanDerWaalsContact CA-O 3.26Å; I216-I230 WeakPolarHBondContact CA-O 3.42Å; L217-I230 PolarHBondContact N-O 2.93Å; L217-I230 VanDerWaalsContact N-O 3.07Å; L217-I230 PolarHBondContact O-N 2.83Å; L219-I230 HydrophobicContact CD1-CD1 4Å; M228-I230 HydrophobicContact CG-CG1 4.04Å; M228-I230 HydrophobicContact SD-CD1 4.19Å; M228-I230 HydrophobicContact SD-CG1 4.26Å; I230-L273 HydrophobicContact CD1-CD1 3.32Å; I230-L273 HydrophobicContact CD1-CD2 4.44Å; I230-F352 HydrophobicContact CB-CE1 4.2Å; I230-F352 HydrophobicContact CB-CZ 3.84Å; I230-F352 HydrophobicContact CD1-CE1 4.37Å; I230-F352 HydrophobicContact CG2-CE1 3.95Å; I230-F352 HydrophobicContact CG2-CZ 3.65Å; I230-F358 HydrophobicContact CG2-CB 3.95Å; I230-F358 HydrophobicContact CG2-CD2 3.63Å; I230-F358 HydrophobicContact CG2-CE2 4.31Å; I230-F358 HydrophobicContact CG2-CG 3.87Å; I230-L359 WeakPolarHBondContact CA-O 3.22Å; I230-F360 HydrophobicContact CG1-CB 4.3Å
231L98.3Very high92.3Very high0 Ų030.9 Ų30.90%019%0.187CC..EExtended strand (participates in β ladder)trans-104.3108.6172.3-80.461.7000107.6T214 I216 I229 L250 W258 F358 L359 F361T214-L231 HydrophobicContact CG2-CB 4.04Å; T214-L231 HydrophobicContact CG2-CG 4.45Å; I216-L231 HydrophobicContact CD1-CD1 4.18Å; I216-L231 HydrophobicContact CD1-CG 4.06Å; I216-L231 HydrophobicContact CG1-CD1 4.16Å; I216-L231 HydrophobicContact CG1-CG 3.97Å; I216-L231 HydrophobicContact CG2-CD1 4.37Å; I229-L231 HydrophobicContact CG2-CD1 3.94Å; L231-L250 HydrophobicContact CD2-CD1 4.44Å; L231-W258 HydrophobicContact CD2-CE3 4.32Å; L231-W258 HydrophobicContact CD2-CZ3 4.49Å; L231-F358 WeakPolarHBondContact O-CB 3.11Å; L231-L359 HydrophobicContact CB-CB 4.27Å; L231-L359 PolarHBondContact N-O 3.45Å; L231-L359 PolarHBondContact O-N 3.48Å; L231-L359 VanDerWaalsContact O-N 3.09Å; L231-F361 HydrophobicContact CD1-CD2 4.21Å; L231-F361 HydrophobicContact CD1-CE2 4.12Å; L231-F361 HydrophobicContact CD2-CE2 4.26Å
232L98.2Very high92Very high3 Ų331.2 Ų31.22%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-118.6109.2-175.1178.569.2000109.7T214 K215 F352 T353 A354 F358T214-L232 CarbonylContact C-O 3.59Å; T214-L232 WeakPolarHBondContact CA-O 3.38Å; K215-L232 PolarHBondContact N-O 3.48Å; K215-L232 PolarHBondContact O-N 3.36Å; L232-F352 HydrophobicContact CB-CE1 4.32Å; L232-F352 HydrophobicContact CB-CE2 3.87Å; L232-F352 HydrophobicContact CB-CZ 3.52Å; L232-F352 HydrophobicContact CD2-CD1 4.24Å; L232-F352 HydrophobicContact CD2-CD2 4.42Å; L232-F352 HydrophobicContact CD2-CE1 3.87Å; L232-F352 HydrophobicContact CD2-CE2 4.07Å; L232-F352 HydrophobicContact CD2-CZ 3.78Å; L232-F352 HydrophobicContact CG-CZ 4.31Å; L232-T353 WeakPolarHBondContact CD2-O 3.36Å; L232-A354 HydrophobicContact CD1-CB 4.42Å; L232-A354 HydrophobicContact CD2-CB 4.33Å; L232-F358 HydrophobicContact CB-CB 4.44Å; L232-F358 HydrophobicContact CD1-CB 3.93Å
233P97Very high92Very high7 Ų730 Ų305%0.04519%0.185CC..EExtended strand (participates in β ladder)trans-53.5157.9168.6-24.233.4000112.1Q213 A235 L243 L246 H356Q213-P233 CarbonylContact O-C 3.54Å; Q213-P233 WeakPolarHBondContact O-CA 3.33Å; P233-A235 VanDerWaalsContact C-N 3.28Å; P233-A235 PolarHBondContact O-N 3.4Å; P233-L243 HydrophobicContact CG-CD2 3.62Å; P233-L246 HydrophobicContact CG-CD1 3.78Å; P233-H356 PolarHBondContact O-CE1 3.48Å; P233-H356 VanDerWaalsContact O-CE1 3.31Å; P233-H356 PolarHBondContact O-NE2 2.92Å
234D95Very high92Very high65 Ų6529 Ų2935%0.34818%0.177SC..SBendtrans-69.5-30.1176.5-79.5-21.1000112.3Y208 Q213 K215Y208-D234 PolarHBondContact OH-OD2 2.97Å; Q213-D234 HydrophobicContact CB-CB 4.42Å; Q213-D234 PolarHBondContact O-N 3.31Å; K215-D234 WeakPolarHBondContact CE-OD1 3.35Å
235A92.4Very high91.9Very high46 Ų4627.2 Ų27.238%0.3817%0.171SC..SBendtrans-161.2162.1179.800000112.1P233 Q237P233-A235 VanDerWaalsContact C-N 3.28Å; P233-A235 PolarHBondContact O-N 3.4Å; A235-Q237 PolarHBondContact O-N 3.44Å; A235-Q237 VanDerWaalsContact O-N 3.1Å
236I91.6Very high91.9Very high18 Ų1824.9 Ų24.99%0.09216%0.16CC..  trans-73.798.4169.3-54.3-179.8000108.9K186 K189 H356K186-I236 HydrophobicContact CB-CD1 4Å; K189-I236 WeakPolarHBondContact CE-O 3.34Å; K189-I236 HydrophobicContact CG-CB 4.32Å; K189-I236 HydrophobicContact CG-CG2 3.96Å; I236-H356 HydrophobicContact CD1-CB 4.09Å; I236-H356 HydrophobicContact CG1-CB 4.16Å
237Q85.6Confident91.7Very high114 Ų11425.6 Ų25.653%0.53316%0.164SC..  trans-95.8-26-177.3-63.4-172.41100114K189 A235K189-Q237 WeakPolarHBondContact CE-O 3.45Å; K189-Q237 PolarHBondContact NZ-O 3.03Å; A235-Q237 PolarHBondContact O-N 3.44Å; A235-Q237 VanDerWaalsContact O-N 3.1Å
238D84.4Confident91.4Very high29 Ų2932.9 Ų32.916%0.15519%0.191CC..SBendtrans-85.6-170.4179.561.735.9000112.5K189 S240 T241 G242 L243 E244K189-D238 WeakPolarHBondContact CE-O 3.41Å; K189-D238 PolarHBondContact NZ-O 3.27Å; D238-S240 VanDerWaalsContact C-N 3.32Å; D238-S240 VanDerWaalsContact OD1-C 3.26Å; D238-S240 WeakPolarHBondContact OD1-CA 3.34Å; D238-S240 PolarHBondContact OD1-N 2.93Å; D238-S240 PolarHBondContact OD1-OG 3.43Å; D238-T241 PolarHBondContact OD1-N 3.15Å; D238-T241 VanDerWaalsContact OD1-N 3.1Å; D238-G242 WeakPolarHBondContact OD1-CA 3.35Å; D238-G242 PolarHBondContact OD1-N 2.92Å; D238-G242 WeakPolarHBondContact OD2-CA 3.36Å; D238-G242 PolarHBondContact OD2-N 3.46Å; D238-L243 PolarHBondContact OD2-N 3.33Å; D238-E244 HydrophobicContact CB-CG 4.44Å; D238-E244 WeakPolarHBondContact OD2-CG 3.5Å; D238-E244 PolarHBondContact OD2-N 2.92Å
239G78.9Confident91.1Very high81 Ų8136.3 Ų36.384%0.83521%0.207SC*.SBendtrans-85.9-1.2178.400000114.1
240S83.4Confident90.9Very high13 Ų1336.3 Ų36.39%0.09121%0.207CC..SBendtrans-126.6-101.4-173.669.50000111.3N188 D238 E244N188-S240 WeakPolarHBondContact CB-O 3.35Å; D238-S240 VanDerWaalsContact C-N 3.32Å; D238-S240 VanDerWaalsContact OD1-C 3.26Å; D238-S240 WeakPolarHBondContact OD1-CA 3.34Å; D238-S240 PolarHBondContact OD1-N 2.93Å; D238-S240 PolarHBondContact OD1-OG 3.43Å; S240-E244 WeakPolarHBondContact CB-OE1 3.35Å; S240-E244 PolarHBondContact OG-OE1 2.65Å
241T85.9Confident90.7Very high1 Ų138.5 Ų38.51%0.00622%0.221CC..SBendtrans-105.5-15.2-167.160.70000113.6S24 T25 D238 L243 P357 C377S24-T241 WeakPolarHBondContact O-CG2 3.44Å; T25-T241 HydrophobicContact CG2-CG2 4.49Å; D238-T241 PolarHBondContact OD1-N 3.15Å; D238-T241 VanDerWaalsContact OD1-N 3.1Å; T241-L243 VanDerWaalsContact C-N 3.31Å; T241-L243 WeakPolarHBondContact OG1-CB 3.45Å; T241-L243 PolarHBondContact OG1-N 3.41Å; T241-P357 HydrophobicContact CG2-CG 4.46Å; T241-P357 WeakPolarHBondContact O-CB 3.4Å; T241-P357 WeakPolarHBondContact O-CD 3.28Å; T241-P357 VanDerWaalsContact O-CG 3.31Å; T241-P357 WeakPolarHBondContact O-CG 3.43Å; T241-C377 HydrophobicContact CG2-CB 4.33Å; T241-C377 VanDerWaalsContact CG2-SG 3.57Å
242G87.9Confident90.4Very high13 Ų1341.5 Ų41.513%0.13423%0.232CC..SBendtrans86.7-2.5-169.900000113.8D238D238-G242 WeakPolarHBondContact OD1-CA 3.35Å; D238-G242 PolarHBondContact OD1-N 2.92Å; D238-G242 WeakPolarHBondContact OD2-CA 3.36Å; D238-G242 PolarHBondContact OD2-N 3.46Å
243L92.8Very high90.2Very high0 Ų047.2 Ų47.20%026%0.259CS..  trans-101.1-7.7-172.6-59.8174.4000113.8P233 D238 T241 S245 L246 E247 P357 L359 R375P233-L243 HydrophobicContact CG-CD2 3.62Å; D238-L243 PolarHBondContact OD2-N 3.33Å; T241-L243 VanDerWaalsContact C-N 3.31Å; T241-L243 WeakPolarHBondContact OG1-CB 3.45Å; T241-L243 PolarHBondContact OG1-N 3.41Å; L243-S245 VanDerWaalsContact C-N 3.27Å; L243-S245 PolarHBondContact O-N 3.08Å; L243-S245 VanDerWaalsContact O-N 3.15Å; L243-L246 HydrophobicContact CD2-CD1 4.1Å; L243-L246 PolarHBondContact O-N 2.63Å; L243-E247 HydrophobicContact CB-CG 4.18Å; L243-E247 WeakPolarHBondContact O-CG 3.37Å; L243-E247 PolarHBondContact O-N 2.69Å; L243-P357 HydrophobicContact CD1-CB 3.77Å; L243-P357 HydrophobicContact CG-CB 4.16Å; L243-L359 HydrophobicContact CD1-CD2 4.28Å; L243-L359 HydrophobicContact CD1-CG 4.37Å; L243-L359 HydrophobicContact CD2-CG 4.32Å; L243-R375 HydrophobicContact CD1-CG 3.6Å
244E90.3Very high90Very high80 Ų8049.9 Ų49.937%0.37427%0.27SS..Hα-helixtrans-56.1-40.6-170.2-69.3177.1-154.700112.9D238 S240 R248D238-E244 HydrophobicContact CB-CG 4.44Å; D238-E244 WeakPolarHBondContact OD2-CG 3.5Å; D238-E244 PolarHBondContact OD2-N 2.92Å; S240-E244 WeakPolarHBondContact CB-OE1 3.35Å; S240-E244 PolarHBondContact OG-OE1 2.65Å; E244-R248 VanDerWaalsContact O-CB 3.31Å; E244-R248 WeakPolarHBondContact O-CB 3.32Å; E244-R248 PolarHBondContact O-N 2.91Å; E244-R248 VanDerWaalsContact O-N 3.13Å
245S89.8Confident90Very high47 Ų4746.8 Ų46.833%0.32925%0.253SS..Hα-helixtrans-68.2-45179.1-164.70000112L243 R248 E249L243-S245 VanDerWaalsContact C-N 3.27Å; L243-S245 PolarHBondContact O-N 3.08Å; L243-S245 VanDerWaalsContact O-N 3.15Å; S245-R248 PolarHBondContact O-N 3.42Å; S245-E249 WeakPolarHBondContact O-CB 3.37Å; S245-E249 WeakPolarHBondContact O-CG 3.38Å; S245-E249 PolarHBondContact O-N 3.38Å
246L91.9Very high90Very high3 Ų346.5 Ų46.52%0.01624%0.244CC..Hα-helixtrans-60.7-51176.9-77.2173000110.5F212 T214 P233 L243 R248 E249 L250 W258 L359F212-L246 HydrophobicContact CB-CD2 3.76Å; F212-L246 HydrophobicContact CD1-CD2 3.71Å; F212-L246 HydrophobicContact CD1-CG 4.24Å; F212-L246 HydrophobicContact CG-CD2 3.77Å; T214-L246 HydrophobicContact CG2-CD1 4.02Å; T214-L246 HydrophobicContact CG2-CD2 4.32Å; P233-L246 HydrophobicContact CG-CD1 3.78Å; L243-L246 HydrophobicContact CD2-CD1 4.1Å; L243-L246 PolarHBondContact O-N 2.63Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-R248 PolarHBondContact O-N 2.83Å; L246-E249 PolarHBondContact O-N 2.85Å; L246-L250 WeakPolarHBondContact O-CB 3.3Å; L246-L250 PolarHBondContact O-N 3.22Å; L246-W258 HydrophobicContact CD2-CZ3 4.21Å; L246-L359 HydrophobicContact CB-CD1 4.22Å
247E92.2Very high90.1Very high15 Ų1551.7 Ų51.77%0.0727%0.269CS..Hα-helixtrans-57.9-42.8-178.4-68.9173.6167.700112.1R17 C20 L243 L359 R375R17-E247 WeakPolarHBondContact CG-O 3.31Å; C20-E247 WeakPolarHBondContact CB-OE2 3.41Å; C20-E247 PolarHBondContact SG-OE1 3.04Å; C20-E247 VanDerWaalsContact SG-OE1 3.4Å; C20-E247 PolarHBondContact SG-OE2 3.5Å; L243-E247 HydrophobicContact CB-CG 4.18Å; L243-E247 WeakPolarHBondContact O-CG 3.37Å; L243-E247 PolarHBondContact O-N 2.69Å; E247-L359 HydrophobicContact CG-CD1 4.28Å; E247-L359 HydrophobicContact CG-CD2 4.37Å; E247-R375 WeakPolarHBondContact OE1-CD 3.2Å; E247-R375 IonicContact OE1-CZ 3.2Å; E247-R375 IonicContact OE1-NE 2.7Å; E247-R375 IonicContact OE1-NH1 2.87Å; E247-R375 PolarHBondContact OE1-NH1 3.4Å; E247-R375 IonicContact OE2-NH1 2.58Å
248R90.4Very high90.5Very high154 Ų15447.7 Ų47.758%0.58125%0.248SC*.Hα-helixtrans-69.6-39.7-179.5-176178.863.9-128.4-5.3112.8E244 S245 L246E244-R248 VanDerWaalsContact O-CB 3.31Å; E244-R248 WeakPolarHBondContact O-CB 3.32Å; E244-R248 PolarHBondContact O-N 2.91Å; E244-R248 VanDerWaalsContact O-N 3.13Å; S245-R248 PolarHBondContact O-N 3.42Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-R248 PolarHBondContact O-N 2.83Å
249E91.1Very high90.9Very high71 Ų7146.4 Ų46.433%0.33224%0.241SC..Hα-helixtrans-104-4.2-166.1-62.2-173.6-151.600114.7F212 S245 L246 T251 K254F212-E249 HydrophobicContact CE1-CB 3.76Å; F212-E249 HydrophobicContact CE1-CG 4.32Å; F212-E249 HydrophobicContact CZ-CB 3.67Å; F212-E249 HydrophobicContact CZ-CG 4.43Å; F212-E249 WeakPolarHBondContact CZ-OE2 3.35Å; S245-E249 WeakPolarHBondContact O-CB 3.37Å; S245-E249 WeakPolarHBondContact O-CG 3.38Å; S245-E249 PolarHBondContact O-N 3.38Å; L246-E249 PolarHBondContact O-N 2.85Å; E249-T251 PolarHBondContact O-N 2.85Å; E249-K254 VanDerWaalsContact O-CD 3.3Å; E249-K254 WeakPolarHBondContact O-CD 3.41Å; E249-K254 PolarHBondContact O-NZ 2.9Å; E249-K254 IonicContact OE2-NZ 3.14Å
250L92.9Very high91.6Very high3 Ų345.1 Ų45.12%0.01622%0.215CC..  trans-67116.5176.5-166.263.3000110.3L13 R17 L231 L246 L255 W258 F361L13-L250 HydrophobicContact CD1-CG 4.16Å; L13-L250 HydrophobicContact CD2-CB 4.43Å; L13-L250 HydrophobicContact CD2-CD2 3.35Å; L13-L250 HydrophobicContact CD2-CG 3.7Å; R17-L250 PolarHBondContact NH2-O 3.49Å; L231-L250 HydrophobicContact CD2-CD1 4.44Å; L246-L250 WeakPolarHBondContact O-CB 3.3Å; L246-L250 PolarHBondContact O-N 3.22Å; L250-L255 HydrophobicContact CD1-CB 3.95Å; L250-L255 HydrophobicContact CD1-CD1 4.15Å; L250-L255 HydrophobicContact CG-CB 4.39Å; L250-W258 HydrophobicContact CD1-CE3 3.79Å; L250-W258 HydrophobicContact CD1-CH2 4.29Å; L250-W258 HydrophobicContact CD1-CZ3 3.39Å; L250-F361 HydrophobicContact CD2-CE2 4.39Å; L250-F361 HydrophobicContact CD2-CZ 3.72Å
251T94Very high91.8Very high46 Ų4646.9 Ų46.928%0.28223%0.227SC..  trans-113.5168.8171.775.90000110.3L13 E249 E253 K254 L255L13-T251 WeakPolarHBondContact CD1-O 3.48Å; E249-T251 PolarHBondContact O-N 2.85Å; T251-E253 VanDerWaalsContact C-N 3.31Å; T251-E253 WeakPolarHBondContact CB-OE2 3.49Å; T251-E253 PolarHBondContact O-N 3.02Å; T251-E253 PolarHBondContact OG1-OE2 2.83Å; T251-K254 PolarHBondContact OG1-N 3.06Å; T251-L255 WeakPolarHBondContact O-CB 3.43Å; T251-L255 PolarHBondContact O-N 2.82Å
252Y92.8Very high92Very high63 Ų6355.2 Ų55.225%0.24727%0.266CS..Hα-helixtrans-57.9-46.7176.6167-106.7000111.2A6 T9 L255 M256A6-Y252 HydrophobicContact CB-CD1 4.39Å; A6-Y252 HydrophobicContact CB-CE1 3.82Å; A6-Y252 HydrophobicContact CB-CE2 3.93Å; T9-Y252 HydrophobicContact CG2-CD2 3.73Å; T9-Y252 HydrophobicContact CG2-CE2 4.42Å; Y252-L255 PolarHBondContact O-N 2.99Å; Y252-M256 HydrophobicContact CD2-CE 4.32Å; Y252-M256 HydrophobicContact CD2-CG 3.75Å; Y252-M256 HydrophobicContact CE1-CG 4.38Å; Y252-M256 HydrophobicContact CE2-CE 4.09Å; Y252-M256 HydrophobicContact CE2-CG 3.3Å; Y252-M256 HydrophobicContact CE2-SD 4.08Å; Y252-M256 HydrophobicContact CG-CG 4.48Å; Y252-M256 WeakPolarHBondContact O-CB 3.29Å; Y252-M256 WeakPolarHBondContact O-CG 3.43Å; Y252-M256 PolarHBondContact O-N 3.06Å
253E93.6Very high92.1Very high123 Ų12361.1 Ų61.158%0.57529%0.292SS*.Hα-helixtrans-62-49.9-177.3-58.271.1-153.600110.6T251 M256 E257T251-E253 VanDerWaalsContact C-N 3.31Å; T251-E253 WeakPolarHBondContact CB-OE2 3.49Å; T251-E253 PolarHBondContact O-N 3.02Å; T251-E253 PolarHBondContact OG1-OE2 2.83Å; E253-M256 PolarHBondContact O-N 3.36Å; E253-E257 WeakPolarHBondContact O-CB 3.41Å; E253-E257 PolarHBondContact O-N 3.49Å
254K94.1Very high92.1Very high63 Ų6361.9 Ų61.927%0.27430%0.295SS..Hα-helixtrans-59-51176.3-76.1-179.9175.2-175.40111.3E249 T251 M256 E257 W258E249-K254 VanDerWaalsContact O-CD 3.3Å; E249-K254 WeakPolarHBondContact O-CD 3.41Å; E249-K254 PolarHBondContact O-NZ 2.9Å; E249-K254 IonicContact OE2-NZ 3.14Å; T251-K254 PolarHBondContact OG1-N 3.06Å; K254-M256 VanDerWaalsContact C-N 3.35Å; K254-M256 PolarHBondContact O-N 2.87Å; K254-E257 PolarHBondContact O-N 3.4Å; K254-W258 HydrophobicContact CB-CD2 4.22Å; K254-W258 HydrophobicContact CB-CE3 4.48Å; K254-W258 HydrophobicContact CB-CH2 4.09Å; K254-W258 HydrophobicContact CB-CZ2 3.75Å; K254-W258 HydrophobicContact CB-CZ3 4.45Å; K254-W258 HydrophobicContact CD-CH2 4.01Å; K254-W258 HydrophobicContact CD-CZ2 3.77Å; K254-W258 HydrophobicContact CG-CH2 4.49Å; K254-W258 HydrophobicContact CG-CZ2 3.94Å; K254-W258 VanDerWaalsContact O-CB 3.31Å; K254-W258 WeakPolarHBondContact O-CB 3.38Å; K254-W258 VanDerWaalsContact O-CD1 3.23Å; K254-W258 VanDerWaalsContact O-CD2 3.24Å; K254-W258 PolarHBondContact O-N 2.88Å
255L94.6Very high92.3Very high0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-58.7-48.3-178.1-179.663.7000110.8T9 L13 L250 T251 Y252 E257 W258 I259 F361T9-L255 HydrophobicContact CG2-CD2 3.87Å; L13-L255 HydrophobicContact CD1-CB 4.49Å; L13-L255 HydrophobicContact CD1-CD2 4.43Å; L13-L255 HydrophobicContact CD2-CD2 4.21Å; L250-L255 HydrophobicContact CD1-CB 3.95Å; L250-L255 HydrophobicContact CD1-CD1 4.15Å; L250-L255 HydrophobicContact CG-CB 4.39Å; T251-L255 WeakPolarHBondContact O-CB 3.43Å; T251-L255 PolarHBondContact O-N 2.82Å; Y252-L255 PolarHBondContact O-N 2.99Å; L255-E257 PolarHBondContact O-N 3.29Å; L255-W258 PolarHBondContact O-N 2.83Å; L255-I259 HydrophobicContact CD1-CD1 4.28Å; L255-I259 HydrophobicContact CD1-CG2 3.79Å; L255-I259 HydrophobicContact CG-CD1 4.06Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 WeakPolarHBondContact O-CG2 3.43Å; L255-I259 PolarHBondContact O-N 3.47Å; L255-F361 HydrophobicContact CD1-CD2 4.27Å; L255-F361 HydrophobicContact CD1-CE2 3.96Å; L255-F361 HydrophobicContact CD1-CZ 4.28Å; L255-F361 HydrophobicContact CD2-CE1 4.22Å; L255-F361 HydrophobicContact CD2-CZ 4.34Å
256M92.3Very high92.6Very high39 Ų3969.1 Ų69.119%0.19232%0.322CS..Hα-helixtrans-66-36.2-178.7-70.1-58.1128.800113.3T9 Y252 E253 K254 I259 N260 I370T9-M256 HydrophobicContact CG2-CE 3.73Å; Y252-M256 HydrophobicContact CD2-CE 4.32Å; Y252-M256 HydrophobicContact CD2-CG 3.75Å; Y252-M256 HydrophobicContact CE1-CG 4.38Å; Y252-M256 HydrophobicContact CE2-CE 4.09Å; Y252-M256 HydrophobicContact CE2-CG 3.3Å; Y252-M256 HydrophobicContact CE2-SD 4.08Å; Y252-M256 HydrophobicContact CG-CG 4.48Å; Y252-M256 WeakPolarHBondContact O-CB 3.29Å; Y252-M256 WeakPolarHBondContact O-CG 3.43Å; Y252-M256 PolarHBondContact O-N 3.06Å; E253-M256 PolarHBondContact O-N 3.36Å; K254-M256 VanDerWaalsContact C-N 3.35Å; K254-M256 PolarHBondContact O-N 2.87Å; M256-I259 HydrophobicContact CE-CD1 3.94Å; M256-I259 HydrophobicContact SD-CD1 4.27Å; M256-N260 WeakPolarHBondContact O-CB 3.38Å; M256-N260 PolarHBondContact O-N 2.89Å; M256-I370 HydrophobicContact CE-CD1 4.36Å; M256-I370 HydrophobicContact CE-CG1 4.25Å
257E93.2Very high92.7Very high128 Ų12871.6 Ų71.660%0.59834%0.338SS*.Hα-helixtrans-62.2-48.5172.3-179-177.517800110.9E253 K254 L255 I259 N260E253-E257 WeakPolarHBondContact O-CB 3.41Å; E253-E257 PolarHBondContact O-N 3.49Å; K254-E257 PolarHBondContact O-N 3.4Å; L255-E257 PolarHBondContact O-N 3.29Å; E257-I259 PolarHBondContact O-N 2.99Å; E257-N260 PolarHBondContact O-N 2.67Å
258W93.9Very high92.8Very high29 Ų2974.3 Ų74.311%0.1135%0.35CS..Hα-helixtrans-69.1-31.1-173.7-63.3-11.5000114.2S207 I209 F212 I216 L231 L246 L250 K254 L255S207-W258 PolarHBondContact OG-O 3.27Å; I209-W258 HydrophobicContact CD1-CB 4.06Å; I209-W258 HydrophobicContact CD1-CD2 3.26Å; I209-W258 HydrophobicContact CD1-CE3 3.33Å; I209-W258 HydrophobicContact CD1-CG 3.59Å; I209-W258 HydrophobicContact CD1-CH2 4.25Å; I209-W258 HydrophobicContact CD1-CZ2 4.22Å; I209-W258 HydrophobicContact CD1-CZ3 3.82Å; I209-W258 HydrophobicContact CG1-CD2 4.04Å; I209-W258 HydrophobicContact CG1-CG 4Å; I209-W258 HydrophobicContact CG2-CZ2 4.05Å; F212-W258 AromaticContact CD2-CH2 3.56Å; F212-W258 HydrophobicContact CD2-CH2 3.56Å; F212-W258 AromaticContact CD2-CZ2 3.72Å; F212-W258 HydrophobicContact CD2-CZ2 3.72Å; F212-W258 AromaticContact CE2-CH2 3.46Å; F212-W258 HydrophobicContact CE2-CH2 3.46Å; F212-W258 VanDerWaalsContact CE2-CH2 3.46Å; F212-W258 AromaticContact CE2-CZ2 3.56Å; F212-W258 HydrophobicContact CE2-CZ2 3.56Å; F212-W258 HydrophobicContact CG-CH2 4.28Å; F212-W258 HydrophobicContact CZ-CH2 4.1Å; I216-W258 HydrophobicContact CD1-CB 3.58Å; I216-W258 HydrophobicContact CD1-CG 4.4Å; L231-W258 HydrophobicContact CD2-CE3 4.32Å; L231-W258 HydrophobicContact CD2-CZ3 4.49Å; L246-W258 HydrophobicContact CD2-CZ3 4.21Å; L250-W258 HydrophobicContact CD1-CE3 3.79Å; L250-W258 HydrophobicContact CD1-CH2 4.29Å; L250-W258 HydrophobicContact CD1-CZ3 3.39Å; K254-W258 HydrophobicContact CB-CD2 4.22Å; K254-W258 HydrophobicContact CB-CE3 4.48Å; K254-W258 HydrophobicContact CB-CH2 4.09Å; K254-W258 HydrophobicContact CB-CZ2 3.75Å; K254-W258 HydrophobicContact CB-CZ3 4.45Å; K254-W258 HydrophobicContact CD-CH2 4.01Å; K254-W258 HydrophobicContact CD-CZ2 3.77Å; K254-W258 HydrophobicContact CG-CH2 4.49Å; K254-W258 HydrophobicContact CG-CZ2 3.94Å; K254-W258 VanDerWaalsContact O-CB 3.31Å; K254-W258 WeakPolarHBondContact O-CB 3.38Å; K254-W258 VanDerWaalsContact O-CD1 3.23Å; K254-W258 VanDerWaalsContact O-CD2 3.24Å; K254-W258 PolarHBondContact O-N 2.88Å; L255-W258 PolarHBondContact O-N 2.83Å
259I92.9Very high93.1Very high2 Ų267 Ų671%0.0132%0.322CS..THydrogen-bonded Turntrans-101.89.2-178.177-177.1000113.1I229 L255 M256 E257 P261 R363 I370I229-I259 HydrophobicContact CD1-CB 3.97Å; I229-I259 HydrophobicContact CD1-CD1 3.82Å; I229-I259 HydrophobicContact CD1-CG1 4.29Å; I229-I259 HydrophobicContact CD1-CG2 4.28Å; I229-I259 HydrophobicContact CG2-CB 4.27Å; I229-I259 HydrophobicContact CG2-CG2 3.65Å; L255-I259 HydrophobicContact CD1-CD1 4.28Å; L255-I259 HydrophobicContact CD1-CG2 3.79Å; L255-I259 HydrophobicContact CG-CD1 4.06Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 WeakPolarHBondContact O-CG2 3.43Å; L255-I259 PolarHBondContact O-N 3.47Å; M256-I259 HydrophobicContact CE-CD1 3.94Å; M256-I259 HydrophobicContact SD-CD1 4.27Å; E257-I259 PolarHBondContact O-N 2.99Å; I259-P261 WeakPolarHBondContact O-CD 3.38Å; I259-R363 PolarHBondContact O-NH1 3.1Å; I259-I370 HydrophobicContact CD1-CD1 4.23Å
260N92.6Very high93.5Very high54 Ų5466.5 Ų66.529%0.28932%0.319SS..  trans-67.3113.4177.3-178.3-2.2000109.5M256 E257 E262 M263 M264M256-N260 WeakPolarHBondContact O-CB 3.38Å; M256-N260 PolarHBondContact O-N 2.89Å; E257-N260 PolarHBondContact O-N 2.67Å; N260-E262 PolarHBondContact O-N 3.49Å; N260-E262 VanDerWaalsContact O-N 3.12Å; N260-E262 PolarHBondContact OD1-N 3.49Å; N260-E262 VanDerWaalsContact OD1-N 3.11Å; N260-M263 HydrophobicContact CB-CB 4.25Å; N260-M263 HydrophobicContact CB-CG 4.01Å; N260-M263 PolarHBondContact O-N 2.98Å; N260-M264 WeakPolarHBondContact O-CG 3.29Å
261P88.2Confident93.7Very high51 Ų5166.4 Ų66.433%0.33132%0.319SS..G310 helixtrans-58.5-29.4-177.4-24.936.7000113.5I259 M263 M264I259-P261 WeakPolarHBondContact O-CD 3.38Å; P261-M263 PolarHBondContact O-N 3.02Å; P261-M264 PolarHBondContact O-N 2.86Å
262E89.9Confident93.9Very high176 Ų17664.4 Ų64.482%0.82231%0.307SS*.G310 helixtrans-69.5-17.7178.4-60.7-175.8166.600113.3N260N260-E262 PolarHBondContact O-N 3.49Å; N260-E262 VanDerWaalsContact O-N 3.12Å; N260-E262 PolarHBondContact OD1-N 3.49Å; N260-E262 VanDerWaalsContact OD1-N 3.11Å
263M90.3Very high94.2Very high137 Ų13761.4 Ų61.468%0.67530%0.295SS*.G310 helixtrans-103.71.9-179.7-59.8-64.8-66.600112.5N260 P261N260-M263 HydrophobicContact CB-CB 4.25Å; N260-M263 HydrophobicContact CB-CG 4.01Å; N260-M263 PolarHBondContact O-N 2.98Å; P261-M263 PolarHBondContact O-N 3.02Å
264M94.1Very high94.4Very high16 Ų1655.5 Ų55.58%0.07927%0.267CS..SBendtrans-101.7146.9-179.6-62.2-179.678.300110.7N205 I216 E218 N260 P261 Y266N205-M264 HydrophobicContact CB-CB 3.8Å; N205-M264 HydrophobicContact CB-CE 4.01Å; N205-M264 HydrophobicContact CB-SD 3.98Å; N205-M264 WeakPolarHBondContact O-CE 3.26Å; I216-M264 HydrophobicContact CB-CE 4.27Å; I216-M264 HydrophobicContact CG2-CE 3.66Å; E218-M264 HydrophobicContact CB-CE 4.34Å; N260-M264 WeakPolarHBondContact O-CG 3.29Å; P261-M264 PolarHBondContact O-N 2.86Å; M264-Y266 PolarHBondContact O-N 2.72Å
265D94.1Very high94.5Very high122 Ų12257.6 Ų57.665%0.65227%0.273SS*.EExtended strand (participates in β ladder)trans-80.9117.4175.4-68.9-43.7000109.4N205 M206 T267N205-D265 WeakPolarHBondContact CA-O 3.4Å; M206-D265 PolarHBondContact N-O 3.29Å; M206-D265 PolarHBondContact O-N 2.72Å; D265-T267 PolarHBondContact O-N 2.65Å
266Y95.2Very high94.5Very high157 Ų15758.2 Ų58.262%0.61628%0.276SS*.EExtended strand (participates in β ladder)trans-81.9102170.1-171.7-114.7000109.6N203 N205 M264N203-Y266 HydrophobicContact CB-CD1 4.37Å; N203-Y266 HydrophobicContact CB-CD2 4.48Å; N203-Y266 HydrophobicContact CB-CE1 3.7Å; N203-Y266 HydrophobicContact CB-CE2 3.82Å; N203-Y266 WeakPolarHBondContact CB-OH 3.35Å; N203-Y266 WeakPolarHBondContact O-CE2 3.33Å; N205-Y266 WeakPolarHBondContact OD1-CB 3.11Å; N205-Y266 WeakPolarHBondContact OD1-CD2 3.23Å; M264-Y266 PolarHBondContact O-N 2.72Å
267T93.6Very high94.5Very high55 Ų5562 Ų6234%0.33729%0.292SS..EExtended strand (participates in β ladder)trans-145.5161.9-171.9-167.50000111.9N203 F204 D265 V269 P350N203-T267 CarbonylContact C-O 3.54Å; N203-T267 VanDerWaalsContact CA-O 3.26Å; N203-T267 WeakPolarHBondContact CA-O 3.34Å; F204-T267 PolarHBondContact N-O 2.83Å; F204-T267 PolarHBondContact O-N 2.67Å; F204-T267 VanDerWaalsContact O-N 3.08Å; D265-T267 PolarHBondContact O-N 2.65Å; T267-V269 HydrophobicContact CG2-CG2 3.91Å; T267-V269 PolarHBondContact O-N 3.37Å; T267-P350 HydrophobicContact CG2-CG 4.46Å
268E96.1Very high94.5Very high71 Ų7156.2 Ų56.233%0.33227%0.265SS..EExtended strand (participates in β ladder)trans-68.1123.1176-169-177-134.700109.5K201 D202 N203 V349 P350K201-E268 WeakPolarHBondContact CE-OE2 3.21Å; K201-E268 HydrophobicContact CG-CG 4.21Å; K201-E268 IonicContact NZ-OE1 2.75Å; K201-E268 PolarHBondContact NZ-OE1 3.4Å; K201-E268 IonicContact NZ-OE2 3.96Å; K201-E268 PolarHBondContact NZ-OE2 3.09Å; D202-E268 CarbonylContact O-C 3.46Å; D202-E268 WeakPolarHBondContact O-CA 3.32Å; N203-E268 WeakPolarHBondContact OD1-CA 3.22Å; N203-E268 PolarHBondContact OD1-N 2.83Å; E268-V349 HydrophobicContact CB-CG1 4.48Å; E268-V349 HydrophobicContact CG-CG1 4.21Å; E268-V349 WeakPolarHBondContact O-CG1 3.43Å; E268-V349 WeakPolarHBondContact OE2-CG2 3.36Å; E268-P350 WeakPolarHBondContact O-CD 3.26Å
269V96.4Very high94.4Very high0 Ų058.6 Ų58.60%028%0.277CS..EExtended strand (participates in β ladder)trans-127.7138.9-179.2-176.60000109.6K201 D202 F204 M206 T267 V271 F352K201-V269 WeakPolarHBondContact CA-O 3.47Å; D202-V269 PolarHBondContact N-O 3.48Å; D202-V269 PolarHBondContact O-N 3.33Å; F204-V269 HydrophobicContact CD2-CB 4.31Å; M206-V269 HydrophobicContact CB-CG2 4.31Å; M206-V269 HydrophobicContact SD-CG1 4.19Å; M206-V269 HydrophobicContact SD-CG2 3.96Å; T267-V269 HydrophobicContact CG2-CG2 3.91Å; T267-V269 PolarHBondContact O-N 3.37Å; V269-V271 HydrophobicContact CB-CG2 4.26Å; V269-V271 HydrophobicContact CG1-CG2 3.94Å; V269-F352 HydrophobicContact CG1-CB 3.89Å
270K97.8Very high94.5Very high62 Ų6260.5 Ų60.527%0.2729%0.286SS..EExtended strand (participates in β ladder)trans-86.1110.2164.7-59.3-175.2-149.6155.70108.9F199 K201 V349 P350 E351 F352F199-K270 HydrophobicContact CE2-CB 3.97Å; F199-K270 HydrophobicContact CZ-CB 4.14Å; F199-K270 HydrophobicContact CZ-CD 4.31Å; F199-K270 HydrophobicContact CZ-CG 4.26Å; K201-K270 HydrophobicContact CD-CG 4.16Å; K201-K270 HydrophobicContact CG-CG 4.15Å; K270-V349 HydrophobicContact CG-CG1 3.95Å; K270-P350 PolarHBondContact N-O 2.81Å; K270-E351 HydrophobicContact CB-CG 4.24Å; K270-E351 HydrophobicContact CD-CG 4.24Å; K270-E351 IonicContact NZ-OE1 2.76Å; K270-E351 PolarHBondContact NZ-OE1 2.92Å; K270-E351 WeakPolarHBondContact O-CA 3.42Å; K270-F352 PolarHBondContact O-N 2.72Å
271V98.4Very high94.5Very high0 Ų061.6 Ų61.60%029%0.292CS..EExtended strand (participates in β ladder)trans-101.6123.9-177.5-176.10000109.3F175 F199 N200 F204 L217 L219 V269 L273 F352F175-V271 HydrophobicContact CE1-CB 4.49Å; F175-V271 HydrophobicContact CE1-CG1 4.12Å; F175-V271 HydrophobicContact CZ-CG1 4.23Å; F199-V271 WeakPolarHBondContact CA-O 3.49Å; N200-V271 PolarHBondContact N-O 3.39Å; N200-V271 PolarHBondContact O-N 3.34Å; F204-V271 HydrophobicContact CD2-CG2 3.73Å; F204-V271 HydrophobicContact CE2-CG2 3.72Å; L217-V271 HydrophobicContact CD1-CG2 4.35Å; L217-V271 HydrophobicContact CD2-CB 4.31Å; L217-V271 HydrophobicContact CD2-CG1 3.62Å; L217-V271 HydrophobicContact CD2-CG2 3.68Å; L219-V271 HydrophobicContact CD2-CG1 4.44Å; V269-V271 HydrophobicContact CB-CG2 4.26Å; V269-V271 HydrophobicContact CG1-CG2 3.94Å; V271-L273 HydrophobicContact CG1-CB 4.47Å; V271-F352 CarbonylContact C-O 3.54Å; V271-F352 WeakPolarHBondContact CA-O 3.2Å
272S98.4Very high94.8Very high4 Ų460 Ų603%0.02828%0.279CS..EExtended strand (participates in β ladder)trans-114.2117.4165.4-54.30000108.9M197 M198 F352 A354M197-S272 VanDerWaalsContact SD-C 3.59Å; M198-S272 VanDerWaalsContact O-CA 3.26Å; M198-S272 WeakPolarHBondContact O-CA 3.33Å; S272-F352 PolarHBondContact N-O 2.97Å; S272-A354 PolarHBondContact O-N 3.39Å
273L98.4Very high95Very high0 Ų054.9 Ų54.90%026%0.257CS..EExtended strand (participates in β ladder)trans-128.8132.6-176.1-173.573.7000109.9W171 F175 M197 M198 L219 I230 V271 V326 A354 F358W171-L273 HydrophobicContact CZ2-CD2 4.34Å; F175-L273 HydrophobicContact CE1-CB 4.11Å; F175-L273 HydrophobicContact CE2-CD2 4.37Å; F175-L273 HydrophobicContact CZ-CB 4.01Å; F175-L273 HydrophobicContact CZ-CD2 4.06Å; M197-L273 PolarHBondContact SD-N 3.39Å; M198-L273 WeakPolarHBondContact CA-O 3.47Å; M198-L273 VanDerWaalsContact CB-O 3.3Å; M198-L273 WeakPolarHBondContact CB-O 3.2Å; M198-L273 HydrophobicContact CE-CB 4.21Å; M198-L273 HydrophobicContact CE-CD2 3.91Å; M198-L273 HydrophobicContact CE-CG 4.21Å; M198-L273 PolarHBondContact N-O 2.92Å; M198-L273 PolarHBondContact O-N 3.44Å; L219-L273 HydrophobicContact CD1-CD2 3.94Å; I230-L273 HydrophobicContact CD1-CD1 3.32Å; I230-L273 HydrophobicContact CD1-CD2 4.44Å; V271-L273 HydrophobicContact CG1-CB 4.47Å; L273-V326 HydrophobicContact CD2-CG1 4.03Å; L273-A354 HydrophobicContact CD1-CB 4.15Å; L273-F358 HydrophobicContact CD1-CZ 4.43Å
274P97.9Very high95.2Very high0 Ų048.4 Ų48.40%023%0.226CC..EExtended strand (participates in β ladder)trans-65.7139.2175.725.8-32.9000110.6F185 V195 F276 A354 F358 F376F185-P274 HydrophobicContact CE2-CG 4.31Å; V195-P274 HydrophobicContact CG2-CB 3.36Å; P274-F276 HydrophobicContact CB-CD1 4.45Å; P274-F276 HydrophobicContact CG-CD1 4.14Å; P274-F276 WeakPolarHBondContact O-CD1 3.24Å; P274-A354 WeakPolarHBondContact CD-O 3.44Å; P274-F358 HydrophobicContact CG-CE1 3.8Å; P274-F358 HydrophobicContact CG-CZ 4Å; P274-F376 HydrophobicContact CB-CE1 4.11Å; P274-F376 HydrophobicContact CB-CZ 4.44Å; P274-F376 HydrophobicContact CG-CD1 4.13Å; P274-F376 HydrophobicContact CG-CE1 3.75Å; P274-F376 HydrophobicContact CG-CZ 4.42Å
275R96.2Very high95.3Very high106 Ų10650.5 Ų50.540%0.423%0.234SC..  trans-72.7128.4161-177.1-167.7-67.7-175.8-3.1107.7Q196 M198 V326 N327 E328Q196-R275 HydrophobicContact CB-CB 4.14Å; Q196-R275 PolarHBondContact O-N 2.83Å; M198-R275 HydrophobicContact CG-CB 4.05Å; M198-R275 HydrophobicContact SD-CB 4.07Å; R275-V326 WeakPolarHBondContact CA-O 3.37Å; R275-V326 VanDerWaalsContact CG-O 3.26Å; R275-V326 WeakPolarHBondContact CG-O 3.37Å; R275-N327 HydrophobicContact CG-CB 4.19Å; R275-E328 IonicContact CZ-OE1 2.82Å; R275-E328 IonicContact CZ-OE2 3.97Å; R275-E328 IonicContact NE-OE1 3.2Å; R275-E328 PolarHBondContact NE-OE1 2.81Å; R275-E328 IonicContact NE-OE2 3.74Å; R275-E328 PolarHBondContact NE-OE2 3.29Å; R275-E328 IonicContact NH2-OE1 3.08Å; R275-E328 PolarHBondContact NH2-OE1 2.94Å; R275-E328 IonicContact NH2-OE2 3.05Å; R275-E328 PolarHBondContact NH2-OE2 3.03Å
276F94.6Very high95.4Very high13 Ų1348.2 Ų48.26%0.05723%0.226CC..EExtended strand (participates in β ladder)trans-151.9161.4179.562.8-97000112.7P274 L278 V324 V326 F358 F360 F376P274-F276 HydrophobicContact CB-CD1 4.45Å; P274-F276 HydrophobicContact CG-CD1 4.14Å; P274-F276 WeakPolarHBondContact O-CD1 3.24Å; F276-L278 HydrophobicContact CD2-CD1 4.25Å; F276-L278 HydrophobicContact CD2-CG 3.86Å; F276-L278 HydrophobicContact CE2-CD1 4.09Å; F276-L278 HydrophobicContact CE2-CG 4.15Å; F276-V324 HydrophobicContact CE2-CG1 4.42Å; F276-V326 HydrophobicContact CD1-CB 4.11Å; F276-V326 HydrophobicContact CD1-CG1 4.28Å; F276-V326 HydrophobicContact CD2-CB 4.21Å; F276-V326 HydrophobicContact CD2-CG2 4.29Å; F276-V326 HydrophobicContact CE1-CB 3.87Å; F276-V326 HydrophobicContact CE1-CG1 3.92Å; F276-V326 HydrophobicContact CE1-CG2 4Å; F276-V326 HydrophobicContact CE2-CB 4.01Å; F276-V326 HydrophobicContact CE2-CG2 3.64Å; F276-V326 HydrophobicContact CG-CB 4.28Å; F276-V326 HydrophobicContact CZ-CB 3.84Å; F276-V326 HydrophobicContact CZ-CG1 4.27Å; F276-V326 HydrophobicContact CZ-CG2 3.47Å; F276-V326 VanDerWaalsContact CZ-CG2 3.47Å; F276-V326 PolarHBondContact N-O 3.38Å; F276-V326 PolarHBondContact O-N 2.92Å; F276-F358 HydrophobicContact CE1-CE2 4.46Å; F276-F358 AromaticContact CE1-CZ 3.99Å; F276-F358 HydrophobicContact CE1-CZ 3.99Å; F276-F360 HydrophobicContact CE2-CE1 4.41Å; F276-F360 HydrophobicContact CE2-CZ 4.17Å; F276-F360 HydrophobicContact CZ-CE1 4.32Å; F276-F360 HydrophobicContact CZ-CZ 4.31Å; F276-F376 HydrophobicContact CB-CD2 4.15Å; F276-F376 HydrophobicContact CB-CE2 3.4Å; F276-F376 VanDerWaalsContact CB-CE2 3.4Å; F276-F376 HydrophobicContact CB-CZ 3.83Å; F276-F376 HydrophobicContact CD1-CD2 4.15Å; F276-F376 HydrophobicContact CD1-CE2 4.07Å; F276-F376 HydrophobicContact CD1-CZ 4.32Å; F276-F376 HydrophobicContact CD2-CD2 4.12Å; F276-F376 HydrophobicContact CD2-CE2 4.21Å; F276-F376 AromaticContact CG-CD2 3.89Å; F276-F376 HydrophobicContact CG-CD2 3.89Å; F276-F376 AromaticContact CG-CE2 3.65Å; F276-F376 HydrophobicContact CG-CE2 3.65Å; F276-F376 HydrophobicContact CG-CZ 4.23Å
277K92.9Very high95.5Very high120 Ų12041.3 Ų41.352%0.52220%0.2SC..EExtended strand (participates in β ladder)trans-130.6128.5170.2173-177.9149.1169.10107.6E279 F323 V324K277-E279 IonicContact NZ-OE2 3.73Å; K277-F323 HydrophobicContact CD-CE1 4.46Å; K277-F323 HydrophobicContact CD-CE2 3.91Å; K277-F323 HydrophobicContact CD-CZ 3.59Å; K277-F323 HydrophobicContact CG-CE1 4.4Å; K277-F323 HydrophobicContact CG-CE2 4.26Å; K277-F323 HydrophobicContact CG-CZ 3.93Å; K277-F323 VanDerWaalsContact NZ-CE2 3.26Å; K277-V324 CarbonylContact C-O 3.46Å; K277-V324 WeakPolarHBondContact CA-O 3.27Å
278L92.9Very high95.7Very high5 Ų538.7 Ų38.73%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-117.2132.8174.5-60.3179.8000109.4N27 F29 F276 F323 V324 F360 F376N27-L278 HydrophobicContact CB-CD1 4.47Å; N27-L278 HydrophobicContact CB-CD2 3.71Å; N27-L278 VanDerWaalsContact ND2-CD2 3.29Å; N27-L278 WeakPolarHBondContact ND2-CD2 3.34Å; F29-L278 HydrophobicContact CB-CB 4.01Å; F29-L278 HydrophobicContact CB-CD1 4.04Å; F29-L278 HydrophobicContact CG-CB 4.35Å; F276-L278 HydrophobicContact CD2-CD1 4.25Å; F276-L278 HydrophobicContact CD2-CG 3.86Å; F276-L278 HydrophobicContact CE2-CD1 4.09Å; F276-L278 HydrophobicContact CE2-CG 4.15Å; L278-F323 WeakPolarHBondContact O-CA 3.5Å; L278-V324 HydrophobicContact CB-CG1 3.91Å; L278-V324 HydrophobicContact CG-CG1 4.46Å; L278-V324 PolarHBondContact N-O 3.32Å; L278-V324 PolarHBondContact O-N 3.07Å; L278-F360 HydrophobicContact CD1-CE1 4.03Å; L278-F360 HydrophobicContact CD1-CZ 3.96Å; L278-F376 HydrophobicContact CD1-CD2 4.41Å; L278-F376 HydrophobicContact CD2-CD2 4.16Å; L278-F376 HydrophobicContact CD2-CE2 4.41Å
279E92.6Very high95.7Very high79 Ų7937.5 Ų37.537%0.36918%0.183SC..EExtended strand (participates in β ladder)trans-135.7102.3174.6-176.5-179.2159.400107.4K277 K321 S322 F323K277-E279 IonicContact NZ-OE2 3.73Å; E279-K321 WeakPolarHBondContact OE1-CE 3.31Å; E279-K321 IonicContact OE1-NZ 2.7Å; E279-K321 PolarHBondContact OE1-NZ 3.31Å; E279-S322 WeakPolarHBondContact CA-O 3.25Å; E279-F323 HydrophobicContact CB-CD2 4.06Å; E279-F323 HydrophobicContact CG-CD2 4.05Å
280E94.1Very high95.7Very high43 Ų4340.7 Ų40.720%0.20121%0.206CC..EExtended strand (participates in β ladder)trans-117.1139-173.6-63-61.9153.100110.1F29 Y282 K321 S322F29-E280 HydrophobicContact CB-CB 4.41Å; F29-E280 HydrophobicContact CB-CG 3.87Å; F29-E280 WeakPolarHBondContact O-CB 3.42Å; E280-Y282 HydrophobicContact CB-CD2 4.48Å; E280-Y282 HydrophobicContact CB-CE2 3.55Å; E280-K321 VanDerWaalsContact O-CA 3.32Å; E280-K321 WeakPolarHBondContact O-CA 3.34Å; E280-K321 WeakPolarHBondContact O-CG 3.47Å; E280-S322 PolarHBondContact N-O 2.77Å; E280-S322 PolarHBondContact O-N 2.82Å
281N93.6Very high95.7Very high77 Ų7739.9 Ų39.941%0.41220%0.203SC..EExtended strand (participates in β ladder)trans-125.7130.7-179-173.939.2000110H320 K321N281-H320 CarbonylContact C-O 3.58Å; N281-H320 PolarHBondContact OD1-O 3.02Å; N281-K321 HydrophobicContact CB-CD 4.16Å; N281-K321 HydrophobicContact CB-CG 4.26Å
282Y93.8Very high95.6Very high17 Ų1741.6 Ų41.67%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-128.3127.1-175.4-56.4-85.5000111.1L19 L28 F29 F30 E280 L284 H320L19-Y282 HydrophobicContact CD1-CD1 4.37Å; L19-Y282 HydrophobicContact CD1-CE1 3.93Å; L19-Y282 HydrophobicContact CD2-CD1 3.59Å; L19-Y282 HydrophobicContact CD2-CE1 3.63Å; L19-Y282 HydrophobicContact CG-CE1 4.38Å; L28-Y282 WeakPolarHBondContact CA-OH 3.33Å; L28-Y282 HydrophobicContact CD2-CE1 4.22Å; F29-Y282 PolarHBondContact N-OH 3.09Å; F29-Y282 VanDerWaalsContact N-OH 3.08Å; F29-Y282 WeakPolarHBondContact O-CE2 3.14Å; F30-Y282 HydrophobicContact CB-CE2 3.96Å; E280-Y282 HydrophobicContact CB-CD2 4.48Å; E280-Y282 HydrophobicContact CB-CE2 3.55Å; Y282-L284 HydrophobicContact CG-CD2 4.44Å; Y282-L284 PolarHBondContact O-N 3.42Å; Y282-H320 AromaticContact CD2-CD2 3.9Å; Y282-H320 PolarHBondContact N-O 3.12Å; Y282-H320 PolarHBondContact O-N 3.46Å
283D93.3Very high95.6Very high68 Ų6841.4 Ų41.436%0.36422%0.219SC..EExtended strand (participates in β ladder)trans-79.3103.3154.4173.912.6000108.1K285 P286D283-K285 WeakPolarHBondContact OD1-CB 3.47Å; D283-K285 PolarHBondContact OD1-N 3.05Å; D283-K285 VanDerWaalsContact OD1-N 3.11Å; D283-P286 VanDerWaalsContact CG-CD 3.49Å; D283-P286 WeakPolarHBondContact OD1-CD 3.31Å; D283-P286 WeakPolarHBondContact OD2-CD 3.5Å
284L96.1Very high95.6Very high2 Ų243.7 Ų43.71%0.0123%0.234CC..Hα-helixtrans-82.7-14.5-175.1-66.2-178.3000113L15 I35 Y282 I287 L288 V318 H320L15-L284 HydrophobicContact CD1-CD2 4.49Å; I35-L284 HydrophobicContact CB-CD1 4.47Å; I35-L284 HydrophobicContact CD1-CD1 3.83Å; I35-L284 HydrophobicContact CG1-CD1 3.87Å; I35-L284 HydrophobicContact CG2-CD1 3.73Å; Y282-L284 HydrophobicContact CG-CD2 4.44Å; Y282-L284 PolarHBondContact O-N 3.42Å; L284-I287 HydrophobicContact CD2-CD1 4.13Å; L284-I287 PolarHBondContact O-N 3.3Å; L284-L288 HydrophobicContact CB-CD1 3.79Å; L284-L288 HydrophobicContact CB-CG 4.13Å; L284-L288 VanDerWaalsContact O-CB 3.27Å; L284-L288 WeakPolarHBondContact O-CB 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.47Å; L284-L288 PolarHBondContact O-N 3.22Å; L284-V318 HydrophobicContact CB-CB 4.1Å; L284-V318 HydrophobicContact CB-CG1 3.87Å; L284-V318 HydrophobicContact CD1-CG1 4.05Å; L284-V318 HydrophobicContact CG-CG1 4.48Å; L284-V318 PolarHBondContact N-O 2.97Å; L284-H320 HydrophobicContact CD1-CB 3.51Å; L284-H320 HydrophobicContact CG-CB 3.96Å
285K95.6Very high95.6Very high60 Ų6044.4 Ų44.426%0.26124%0.238SC..Hα-helixtrans-56.2-54.2-178.3166.8171.7169.3-169.40113.8D283 I287 S289 F297 S316 E317D283-K285 WeakPolarHBondContact OD1-CB 3.47Å; D283-K285 PolarHBondContact OD1-N 3.05Å; D283-K285 VanDerWaalsContact OD1-N 3.11Å; K285-I287 VanDerWaalsContact C-N 3.27Å; K285-I287 PolarHBondContact O-N 3.27Å; K285-S289 VanDerWaalsContact O-CB 3.26Å; K285-S289 WeakPolarHBondContact O-CB 3.44Å; K285-S289 PolarHBondContact O-N 3.38Å; K285-F297 HydrophobicContact CB-CD1 4.16Å; K285-F297 HydrophobicContact CB-CE1 3.92Å; K285-F297 HydrophobicContact CB-CZ 4.39Å; K285-F297 HydrophobicContact CD-CD1 3.93Å; K285-F297 HydrophobicContact CD-CE1 4.46Å; K285-F297 HydrophobicContact CD-CG 4.47Å; K285-F297 HydrophobicContact CG-CB 4.46Å; K285-F297 HydrophobicContact CG-CD1 3.59Å; K285-F297 HydrophobicContact CG-CE1 3.86Å; K285-F297 HydrophobicContact CG-CG 3.95Å; K285-F297 HydrophobicContact CG-CZ 4.43Å; K285-S316 WeakPolarHBondContact CD-O 3.26Å; K285-S316 WeakPolarHBondContact CE-O 3.35Å; K285-S316 PolarHBondContact NZ-O 2.99Å; K285-E317 IonicContact NZ-OE1 2.69Å; K285-E317 PolarHBondContact NZ-OE1 2.71Å
286P95.9Very high95.6Very high74 Ų7439.4 Ų39.448%0.48122%0.219SC..Hα-helixtrans-63.4-35.8178.823.9-33.1000112D283 S290D283-P286 VanDerWaalsContact CG-CD 3.49Å; D283-P286 WeakPolarHBondContact OD1-CD 3.31Å; D283-P286 WeakPolarHBondContact OD2-CD 3.5Å; P286-S290 WeakPolarHBondContact O-CB 3.41Å; P286-S290 PolarHBondContact O-N 3.41Å; P286-S290 PolarHBondContact O-OG 3.41Å
287I96.6Very high95.8Very high12 Ų1240.1 Ų40.16%0.06222%0.222CC..Hα-helixtrans-65.7-55.3180-61.5164.1000109.8L15 K18 L19 L284 K285 S289 S290 M291L15-I287 HydrophobicContact CD1-CG2 3.66Å; K18-I287 HydrophobicContact CB-CG2 4.23Å; K18-I287 HydrophobicContact CG-CG2 3.83Å; L19-I287 HydrophobicContact CD2-CD1 3.53Å; L284-I287 HydrophobicContact CD2-CD1 4.13Å; L284-I287 PolarHBondContact O-N 3.3Å; K285-I287 VanDerWaalsContact C-N 3.27Å; K285-I287 PolarHBondContact O-N 3.27Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-S289 PolarHBondContact O-N 2.96Å; I287-S290 CarbonylContact O-C 3.59Å; I287-S290 PolarHBondContact O-N 3.34Å; I287-S290 PolarHBondContact O-OG 3.29Å; I287-M291 HydrophobicContact CG2-SD 3.97Å; I287-M291 WeakPolarHBondContact O-CG 3.33Å; I287-M291 PolarHBondContact O-N 3.24Å
288L97.5Very high95.9Very high0 Ų036.8 Ų36.80%021%0.21CC..Hα-helixtrans-62.3-39.3-179.9-69171.6000112F11 L39 V57 L284 S290 M291 G292 M293 F297 V318F11-L288 HydrophobicContact CE2-CD2 4.25Å; F11-L288 HydrophobicContact CZ-CD2 4.47Å; L39-L288 HydrophobicContact CD1-CD1 3.93Å; L39-L288 HydrophobicContact CD1-CD2 3.8Å; L39-L288 HydrophobicContact CD2-CD1 3.96Å; V57-L288 HydrophobicContact CG1-CD2 4.06Å; L284-L288 HydrophobicContact CB-CD1 3.79Å; L284-L288 HydrophobicContact CB-CG 4.13Å; L284-L288 VanDerWaalsContact O-CB 3.27Å; L284-L288 WeakPolarHBondContact O-CB 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.47Å; L284-L288 PolarHBondContact O-N 3.22Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 2.99Å; L288-M291 HydrophobicContact CD2-SD 4.36Å; L288-M291 PolarHBondContact O-N 3.14Å; L288-M291 VanDerWaalsContact O-N 3.14Å; L288-G292 PolarHBondContact O-N 3.2Å; L288-M293 HydrophobicContact CB-CG 3.88Å; L288-M293 HydrophobicContact CB-SD 3.87Å; L288-M293 HydrophobicContact CD1-SD 4.36Å; L288-M293 HydrophobicContact CD2-SD 4.21Å; L288-M293 HydrophobicContact CG-SD 4.37Å; L288-M293 VanDerWaalsContact O-CG 3.22Å; L288-M293 WeakPolarHBondContact O-CG 3.44Å; L288-M293 PolarHBondContact O-N 2.74Å; L288-F297 HydrophobicContact CB-CE2 3.96Å; L288-F297 HydrophobicContact CB-CZ 3.84Å; L288-F297 HydrophobicContact CD1-CZ 4.22Å; L288-V318 HydrophobicContact CD1-CB 4.46Å; L288-V318 HydrophobicContact CD1-CG1 4.18Å
289S97.3Very high96Very high45 Ų4540.6 Ų40.632%0.31523%0.23SC..Hα-helixtrans-57.5-46.1172.5-176.60000111K285 I287 M291 G292K285-S289 VanDerWaalsContact O-CB 3.26Å; K285-S289 WeakPolarHBondContact O-CB 3.44Å; K285-S289 PolarHBondContact O-N 3.38Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-S289 PolarHBondContact O-N 2.96Å; S289-M291 VanDerWaalsContact C-N 3.29Å; S289-M291 PolarHBondContact O-N 3.24Å; S289-G292 PolarHBondContact O-N 2.87Å; S289-G292 VanDerWaalsContact O-N 3.15Å
290S96.9Very high96Very high68 Ų6845 Ų4548%0.47625%0.253SS..Hα-helixtrans-69.8-23.1177.5780000114K18 P286 I287 L288K18-S290 WeakPolarHBondContact CE-OG 3.31Å; P286-S290 WeakPolarHBondContact O-CB 3.41Å; P286-S290 PolarHBondContact O-N 3.41Å; P286-S290 PolarHBondContact O-OG 3.41Å; I287-S290 CarbonylContact O-C 3.59Å; I287-S290 PolarHBondContact O-N 3.34Å; I287-S290 PolarHBondContact O-OG 3.29Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 2.99Å
291M96.8Very high96.1Very high45 Ų4548.2 Ų48.222%0.22227%0.266CS..Hα-helixtrans-77.7-9.4173.2-68.8176.273.700112.9F11 L15 K18 V57 I287 L288 S289F11-M291 HydrophobicContact CD2-CE 4.21Å; F11-M291 HydrophobicContact CE2-CE 4.06Å; L15-M291 HydrophobicContact CB-CE 4.29Å; L15-M291 HydrophobicContact CD1-SD 4.05Å; K18-M291 HydrophobicContact CB-CG 4.45Å; K18-M291 HydrophobicContact CB-SD 4.45Å; K18-M291 HydrophobicContact CG-CG 4.11Å; V57-M291 HydrophobicContact CG1-CB 4.27Å; V57-M291 HydrophobicContact CG1-CE 4.35Å; V57-M291 HydrophobicContact CG2-CB 4.27Å; I287-M291 HydrophobicContact CG2-SD 3.97Å; I287-M291 WeakPolarHBondContact O-CG 3.33Å; I287-M291 PolarHBondContact O-N 3.24Å; L288-M291 HydrophobicContact CD2-SD 4.36Å; L288-M291 PolarHBondContact O-N 3.14Å; L288-M291 VanDerWaalsContact O-N 3.14Å; S289-M291 VanDerWaalsContact C-N 3.29Å; S289-M291 PolarHBondContact O-N 3.24Å
292G97Very high96.3Very high35 Ų3545.4 Ų45.436%0.36125%0.254SS..THydrogen-bonded Turntrans114.322.1171.300000115.6Q53 L288 S289Q53-G292 WeakPolarHBondContact CG-O 3.38Å; L288-G292 PolarHBondContact O-N 3.2Å; S289-G292 PolarHBondContact O-N 2.87Å; S289-G292 VanDerWaalsContact O-N 3.15Å
293M97.1Very high96.4Very high0 Ų047.4 Ų47.40%027%0.265CS..  trans-118.750.6170.263.3171.7-76.700115.6L39 Q53 I54 V57 L288 D295 A296 F297L39-M293 HydrophobicContact CD2-CE 4.44Å; Q53-M293 HydrophobicContact CB-CB 3.98Å; Q53-M293 VanDerWaalsContact OE1-C 3.3Å; I54-M293 HydrophobicContact CD1-CE 4.22Å; I54-M293 HydrophobicContact CG1-CB 4.46Å; I54-M293 HydrophobicContact CG1-CE 3.61Å; I54-M293 HydrophobicContact CG1-SD 4.14Å; V57-M293 HydrophobicContact CB-CG 4.44Å; V57-M293 HydrophobicContact CB-SD 4.35Å; V57-M293 HydrophobicContact CG1-SD 4.21Å; V57-M293 HydrophobicContact CG2-CB 3.87Å; V57-M293 HydrophobicContact CG2-CG 3.9Å; V57-M293 HydrophobicContact CG2-SD 4.45Å; L288-M293 HydrophobicContact CB-CG 3.88Å; L288-M293 HydrophobicContact CB-SD 3.87Å; L288-M293 HydrophobicContact CD1-SD 4.36Å; L288-M293 HydrophobicContact CD2-SD 4.21Å; L288-M293 HydrophobicContact CG-SD 4.37Å; L288-M293 VanDerWaalsContact O-CG 3.22Å; L288-M293 WeakPolarHBondContact O-CG 3.44Å; L288-M293 PolarHBondContact O-N 2.74Å; M293-D295 VanDerWaalsContact C-N 3.32Å; M293-D295 PolarHBondContact O-N 3.01Å; M293-A296 HydrophobicContact CE-CB 3.59Å; M293-F297 HydrophobicContact CE-CE2 3.9Å; M293-F297 HydrophobicContact CE-CZ 3.78Å; M293-F297 HydrophobicContact CG-CE2 4.07Å; M293-F297 VanDerWaalsContact O-CD2 3.23Å; M293-F297 WeakPolarHBondContact O-CD2 3.18Å; M293-F297 VanDerWaalsContact O-CE2 3.25Å; M293-F297 WeakPolarHBondContact O-CE2 3.47Å
294P98.1Very high96.5Very high49 Ų4944.4 Ų44.432%0.31825%0.249SC..G310 helixtrans-65.5-29.5-178.129.5-37.3000114Q53 A296 F297 D298Q53-P294 VanDerWaalsContact OE1-CD 3.28Å; P294-A296 VanDerWaalsContact C-N 3.27Å; P294-A296 PolarHBondContact O-N 3.03Å; P294-F297 PolarHBondContact O-N 3.37Å; P294-D298 PolarHBondContact O-N 3.29Å
295D97.9Very high96.5Very high15 Ų1546.8 Ų46.88%0.0827%0.266CS..G310 helixtrans-65.1-33.4-172.1-70.520.8000111.6N49 Q53 M293 F297 D298 K301 A302N49-D295 PolarHBondContact ND2-OD2 3.32Å; Q53-D295 PolarHBondContact NE2-OD1 2.93Å; Q53-D295 PolarHBondContact NE2-OD2 3.07Å; Q53-D295 VanDerWaalsContact OE1-CB 3.29Å; M293-D295 VanDerWaalsContact C-N 3.32Å; M293-D295 PolarHBondContact O-N 3.01Å; D295-F297 PolarHBondContact O-N 3.04Å; D295-F297 VanDerWaalsContact O-N 3.09Å; D295-D298 PolarHBondContact O-N 3.45Å; D295-D298 VanDerWaalsContact O-N 3.12Å; D295-K301 HydrophobicContact CB-CB 3.93Å; D295-A302 VanDerWaalsContact O-CA 3.25Å; D295-A302 WeakPolarHBondContact O-CA 3.29Å; D295-A302 WeakPolarHBondContact O-CB 3.38Å; D295-A302 PolarHBondContact O-N 2.79Å
296A97.4Very high96.5Very high0 Ų044.8 Ų44.80%026%0.263CS..G310 helixtrans-57.3-25.8175.900000113.2T50 I54 M293 P294 F304 V314 L315T50-A296 HydrophobicContact CG2-CB 4.16Å; I54-A296 HydrophobicContact CD1-CB 4.33Å; M293-A296 HydrophobicContact CE-CB 3.59Å; P294-A296 VanDerWaalsContact C-N 3.27Å; P294-A296 PolarHBondContact O-N 3.03Å; A296-F304 HydrophobicContact CB-CZ 3.9Å; A296-F304 WeakPolarHBondContact O-CE2 3.49Å; A296-V314 WeakPolarHBondContact O-CG2 3.42Å; A296-L315 VanDerWaalsContact O-CB 3.25Å; A296-L315 WeakPolarHBondContact O-CB 3.48Å; A296-L315 PolarHBondContact O-N 2.92Å
297F97.4Very high96.4Very high29 Ų2941.3 Ų41.313%0.12724%0.24CC..G310 helixtrans-105.21.2-175.9-49.9-70.6000113.1K285 L288 M293 P294 D295 L315 V318K285-F297 HydrophobicContact CB-CD1 4.16Å; K285-F297 HydrophobicContact CB-CE1 3.92Å; K285-F297 HydrophobicContact CB-CZ 4.39Å; K285-F297 HydrophobicContact CD-CD1 3.93Å; K285-F297 HydrophobicContact CD-CE1 4.46Å; K285-F297 HydrophobicContact CD-CG 4.47Å; K285-F297 HydrophobicContact CG-CB 4.46Å; K285-F297 HydrophobicContact CG-CD1 3.59Å; K285-F297 HydrophobicContact CG-CE1 3.86Å; K285-F297 HydrophobicContact CG-CG 3.95Å; K285-F297 HydrophobicContact CG-CZ 4.43Å; L288-F297 HydrophobicContact CB-CE2 3.96Å; L288-F297 HydrophobicContact CB-CZ 3.84Å; L288-F297 HydrophobicContact CD1-CZ 4.22Å; M293-F297 HydrophobicContact CE-CE2 3.9Å; M293-F297 HydrophobicContact CE-CZ 3.78Å; M293-F297 HydrophobicContact CG-CE2 4.07Å; M293-F297 VanDerWaalsContact O-CD2 3.23Å; M293-F297 WeakPolarHBondContact O-CD2 3.18Å; M293-F297 VanDerWaalsContact O-CE2 3.25Å; M293-F297 WeakPolarHBondContact O-CE2 3.47Å; P294-F297 PolarHBondContact O-N 3.37Å; D295-F297 PolarHBondContact O-N 3.04Å; D295-F297 VanDerWaalsContact O-N 3.09Å; F297-L315 HydrophobicContact CD1-CB 4.23Å; F297-L315 HydrophobicContact CD1-CD2 4.46Å; F297-L315 HydrophobicContact CD1-CG 4.32Å; F297-L315 VanDerWaalsContact CD1-O 3.32Å; F297-L315 WeakPolarHBondContact CD1-O 3.08Å; F297-L315 HydrophobicContact CE1-CB 4.36Å; F297-L315 HydrophobicContact CE1-CD2 3.79Å; F297-L315 HydrophobicContact CE1-CG 4Å; F297-L315 HydrophobicContact CZ-CD2 4.39Å; F297-V318 HydrophobicContact CE1-CG2 3.86Å; F297-V318 HydrophobicContact CZ-CG2 4.41Å
298D96.4Very high96.3Very high50 Ų5040.8 Ų40.827%0.26724%0.237SC..  trans-110.3115.2-177.4-177.3-30000109.9P294 D295 M300 K301 A302P294-D298 PolarHBondContact O-N 3.29Å; D295-D298 PolarHBondContact O-N 3.45Å; D295-D298 VanDerWaalsContact O-N 3.12Å; D298-M300 PolarHBondContact O-N 3.14Å; D298-M300 PolarHBondContact OD1-N 2.99Å; D298-K301 HydrophobicContact CB-CB 4.15Å; D298-K301 HydrophobicContact CB-CG 4.33Å; D298-K301 PolarHBondContact O-N 2.65Å; D298-K301 IonicContact OD2-NZ 3.7Å; D298-K301 PolarHBondContact OD2-NZ 3.07Å; D298-A302 VanDerWaalsContact O-CB 3.26Å; D298-A302 WeakPolarHBondContact O-CB 3.37Å; D298-A302 PolarHBondContact O-N 3.4Å
299L93.6Very high95.7Very high85 Ų8544.5 Ų44.545%0.44526%0.263SS..THydrogen-bonded Turntrans-56.2-28.2-176.7-174.166000113.5E312 V314L299-E312 HydrophobicContact CD1-CB 4.34Å; L299-E312 VanDerWaalsContact CD1-O 3.27Å; L299-E312 WeakPolarHBondContact CD1-O 3.29Å; L299-V314 HydrophobicContact CD1-CB 4.14Å; L299-V314 HydrophobicContact CD1-CG1 3.96Å
300M94Very high94.6Very high170 Ų17044 Ų4484%0.83727%0.265SS*.THydrogen-bonded Turntrans-90-11-177.5-60.5-61-63.800113.2D298D298-M300 PolarHBondContact O-N 3.14Å; D298-M300 PolarHBondContact OD1-N 2.99Å
301K95.9Very high93.2Very high112 Ų11247.9 Ų47.949%0.48728%0.28SS..THydrogen-bonded Turntrans-120-25.6-176.5-59-171.4-172.3114.30113.8D295 D298 D303D295-K301 HydrophobicContact CB-CB 3.93Å; D298-K301 HydrophobicContact CB-CB 4.15Å; D298-K301 HydrophobicContact CB-CG 4.33Å; D298-K301 PolarHBondContact O-N 2.65Å; D298-K301 IonicContact OD2-NZ 3.7Å; D298-K301 PolarHBondContact OD2-NZ 3.07Å; K301-D303 PolarHBondContact O-N 3.41Å
302A96.9Very high92.7Very high18 Ų1851.7 Ų51.715%0.14930%0.297CS..  trans-57.3125.618000000110.2D295 D298 F304 V314D295-A302 VanDerWaalsContact O-CA 3.25Å; D295-A302 WeakPolarHBondContact O-CA 3.29Å; D295-A302 WeakPolarHBondContact O-CB 3.38Å; D295-A302 PolarHBondContact O-N 2.79Å; D298-A302 VanDerWaalsContact O-CB 3.26Å; D298-A302 WeakPolarHBondContact O-CB 3.37Å; D298-A302 PolarHBondContact O-N 3.4Å; A302-F304 HydrophobicContact CB-CD2 3.91Å; A302-F304 HydrophobicContact CB-CE2 3.72Å; A302-V314 HydrophobicContact CB-CB 4.3Å; A302-V314 HydrophobicContact CB-CG2 4.12Å
303D96.1Very high92.5Very high58 Ų5850.2 Ų50.231%0.3128%0.281SS..  trans-118.690.4173.7-173.2-6.1000109S46 K47 T50 K301 S305S46-D303 CarbonylContact C-O 3.52Å; S46-D303 WeakPolarHBondContact CA-O 3.49Å; K47-D303 HydrophobicContact CB-CB 4.41Å; K47-D303 WeakPolarHBondContact CB-OD2 3.36Å; K47-D303 PolarHBondContact N-O 3.37Å; T50-D303 PolarHBondContact OG1-N 3.42Å; K301-D303 PolarHBondContact O-N 3.41Å; D303-S305 VanDerWaalsContact OD1-CB 3.27Å; D303-S305 WeakPolarHBondContact OD1-CB 3.42Å; D303-S305 PolarHBondContact OD1-N 3.22Å; D303-S305 PolarHBondContact OD1-OG 3.04Å
304F96.5Very high92.5Very high5 Ų550.9 Ų50.92%0.02229%0.286CS..  trans-109.332.9173-61.2-62.6000111.4I42 G45 S46 T50 I54 A296 A302 G306 I307 S308 L313 L315I42-F304 HydrophobicContact CG2-CD1 4.19Å; I42-F304 HydrophobicContact CG2-CE1 3.4Å; I42-F304 VanDerWaalsContact CG2-CE1 3.4Å; I42-F304 HydrophobicContact CG2-CZ 4.1Å; G45-F304 CarbonylContact O-C 3.57Å; G45-F304 WeakPolarHBondContact O-CA 3.23Å; S46-F304 WeakPolarHBondContact OG-CE1 3.44Å; T50-F304 HydrophobicContact CG2-CD1 4.42Å; T50-F304 HydrophobicContact CG2-CE1 3.74Å; T50-F304 HydrophobicContact CG2-CZ 3.86Å; I54-F304 HydrophobicContact CD1-CE1 4.41Å; A296-F304 HydrophobicContact CB-CZ 3.9Å; A296-F304 WeakPolarHBondContact O-CE2 3.49Å; A302-F304 HydrophobicContact CB-CD2 3.91Å; A302-F304 HydrophobicContact CB-CE2 3.72Å; F304-G306 PolarHBondContact O-N 3.35Å; F304-G306 VanDerWaalsContact O-N 3.1Å; F304-I307 HydrophobicContact CB-CB 4.23Å; F304-I307 HydrophobicContact CB-CD1 4.03Å; F304-I307 HydrophobicContact CB-CG1 4.14Å; F304-I307 HydrophobicContact CD1-CD1 3.74Å; F304-I307 HydrophobicContact CD1-CG1 4.48Å; F304-I307 HydrophobicContact CG-CD1 4.1Å; F304-I307 WeakPolarHBondContact O-CA 3.34Å; F304-I307 WeakPolarHBondContact O-CB 3.49Å; F304-I307 PolarHBondContact O-N 2.96Å; F304-S308 PolarHBondContact O-N 3.09Å; F304-S308 VanDerWaalsContact O-N 3.17Å; F304-L313 HydrophobicContact CB-CB 4.34Å; F304-L313 HydrophobicContact CB-CD2 3.92Å; F304-L313 HydrophobicContact CB-CG 4.39Å; F304-L313 WeakPolarHBondContact CD2-O 3.11Å; F304-L315 HydrophobicContact CE2-CB 4.16Å; F304-L315 HydrophobicContact CZ-CB 4.05Å
305S95.6Very high92.4Very high53 Ų5348.6 Ų48.637%0.37127%0.27SS..THydrogen-bonded Turntrans-59.9-18.8177.155.50000113.6D303 S308D303-S305 VanDerWaalsContact OD1-CB 3.27Å; D303-S305 WeakPolarHBondContact OD1-CB 3.42Å; D303-S305 PolarHBondContact OD1-N 3.22Å; D303-S305 PolarHBondContact OD1-OG 3.04Å; S305-S308 WeakPolarHBondContact CA-O 3.27Å
306G94.6Very high92.4Very high18 Ų1848.3 Ų48.319%0.18627%0.27CS..THydrogen-bonded Turntrans-82.3-8170.900000114.7G45 F104 F304G45-G306 CarbonylContact O-C 3.53Å; G45-G306 WeakPolarHBondContact O-CA 3.42Å; G45-G306 PolarHBondContact O-N 2.64Å; F104-G306 WeakPolarHBondContact CB-O 3.39Å; F304-G306 PolarHBondContact O-N 3.35Å; F304-G306 VanDerWaalsContact O-N 3.1Å
307I95.4Very high92.3Very high0 Ų049.5 Ų49.50%028%0.275CS..THydrogen-bonded Turntrans-100.2-46.3175.5-57.6-174000110.5I42 F100 L101 F104 L116 L159 F304 L313I42-I307 HydrophobicContact CD1-CD1 4.46Å; F100-I307 WeakPolarHBondContact CA-O 3.33Å; F100-I307 HydrophobicContact CD1-CG2 3.79Å; F100-I307 HydrophobicContact CE1-CG2 4.07Å; L101-I307 PolarHBondContact N-O 2.7Å; F104-I307 HydrophobicContact CD1-CB 4.44Å; F104-I307 HydrophobicContact CD1-CG2 3.92Å; F104-I307 HydrophobicContact CD2-CG1 3.93Å; F104-I307 HydrophobicContact CE1-CG1 4.3Å; F104-I307 HydrophobicContact CE1-CG2 3.83Å; F104-I307 HydrophobicContact CE2-CD1 4.09Å; F104-I307 HydrophobicContact CE2-CG1 3.69Å; F104-I307 HydrophobicContact CG-CB 4.44Å; F104-I307 HydrophobicContact CG-CG1 4.33Å; F104-I307 HydrophobicContact CG-CG2 4.41Å; F104-I307 HydrophobicContact CZ-CD1 3.97Å; F104-I307 HydrophobicContact CZ-CG1 3.89Å; F104-I307 HydrophobicContact CZ-CG2 4.25Å; L116-I307 HydrophobicContact CD1-CG2 4.37Å; L159-I307 HydrophobicContact CD2-CD1 4.08Å; F304-I307 HydrophobicContact CB-CB 4.23Å; F304-I307 HydrophobicContact CB-CD1 4.03Å; F304-I307 HydrophobicContact CB-CG1 4.14Å; F304-I307 HydrophobicContact CD1-CD1 3.74Å; F304-I307 HydrophobicContact CD1-CG1 4.48Å; F304-I307 HydrophobicContact CG-CD1 4.1Å; F304-I307 WeakPolarHBondContact O-CA 3.34Å; F304-I307 WeakPolarHBondContact O-CB 3.49Å; F304-I307 PolarHBondContact O-N 2.96Å; I307-L313 HydrophobicContact CB-CD2 3.82Å; I307-L313 HydrophobicContact CG2-CD2 3.58Å
308S94.4Very high92.3Very high1 Ų148.2 Ų48.21%0.00727%0.27CS..BIsolated β-bridgetrans-140147.6-176163.80000109.8E99 F304 S305 G310E99-S308 WeakPolarHBondContact O-CA 3.36Å; E99-S308 PolarHBondContact O-OG 2.89Å; F304-S308 PolarHBondContact O-N 3.09Å; F304-S308 VanDerWaalsContact O-N 3.17Å; S305-S308 WeakPolarHBondContact CA-O 3.27Å; S308-G310 PolarHBondContact O-N 3.08Å; S308-G310 PolarHBondContact OG-N 3.1Å
309S84.2Confident92.3Very high79 Ų7946.1 Ų46.155%0.55226%0.259SS*.SBendtrans-73.7-13.5-179.6-60.50000113.7E99 L101E99-S309 PolarHBondContact O-N 3.28Å; L101-S309 WeakPolarHBondContact CD2-OG 3.26Å
310G74.3Confident92.4Very high33 Ų3342 Ų4234%0.3424%0.238SC..SBendtrans-88.9146.9179.400000113.9S308 E312S308-G310 PolarHBondContact O-N 3.08Å; S308-G310 PolarHBondContact OG-N 3.1Å; G310-E312 VanDerWaalsContact C-N 3.3Å; G310-E312 PolarHBondContact O-N 2.77Å
311N68Low92.5Very high150 Ų15034.8 Ų34.880%0.80220%0.201SC*.THydrogen-bonded Turntrans-86.517.2-175.6-66.1-18.3000114.9
312E85.3Confident92.4Very high125 Ų12529.5 Ų29.558%0.58418%0.178SC*.THydrogen-bonded Turntrans-122.815.1-174.7-60.3-173.7166.500113F98 L299 G310F98-E312 HydrophobicContact CE1-CB 4.16Å; F98-E312 HydrophobicContact CZ-CB 4.21Å; L299-E312 HydrophobicContact CD1-CB 4.34Å; L299-E312 VanDerWaalsContact CD1-O 3.27Å; L299-E312 WeakPolarHBondContact CD1-O 3.29Å; G310-E312 VanDerWaalsContact C-N 3.3Å; G310-E312 PolarHBondContact O-N 2.77Å
313L94.4Very high92.2Very high4 Ų428.8 Ų28.82%0.02117%0.172CC..  trans-82129.8175.5-164.668.6000109.1F98 F100 R158 L159 F304 I307F98-L313 HydrophobicContact CD1-CB 4.38Å; F98-L313 HydrophobicContact CD1-CD1 4.07Å; F98-L313 HydrophobicContact CE1-CB 4.21Å; F98-L313 HydrophobicContact CE1-CD1 4.25Å; F98-L313 HydrophobicContact CG-CD1 4.2Å; F100-L313 HydrophobicContact CE1-CD1 4.33Å; F100-L313 HydrophobicContact CE1-CD2 4.22Å; R158-L313 HydrophobicContact CB-CD1 4.28Å; L159-L313 HydrophobicContact CB-CD1 4.04Å; L159-L313 HydrophobicContact CB-CG 4.38Å; L159-L313 HydrophobicContact CD2-CD2 4.3Å; F304-L313 HydrophobicContact CB-CB 4.34Å; F304-L313 HydrophobicContact CB-CD2 3.92Å; F304-L313 HydrophobicContact CB-CG 4.39Å; F304-L313 WeakPolarHBondContact CD2-O 3.11Å; I307-L313 HydrophobicContact CB-CD2 3.82Å; I307-L313 HydrophobicContact CG2-CD2 3.58Å
314V96.1Very high92Very high15 Ų1526 Ų269%0.09116%0.157CC..  trans-138.5144.9175.764.40000108.9R158 L159 A296 L299 A302 S316R158-V314 HydrophobicContact CB-CG1 4.25Å; R158-V314 HydrophobicContact CG-CG1 4.18Å; L159-V314 WeakPolarHBondContact CB-O 3.42Å; L159-V314 PolarHBondContact N-O 3.28Å; A296-V314 WeakPolarHBondContact O-CG2 3.42Å; L299-V314 HydrophobicContact CD1-CB 4.14Å; L299-V314 HydrophobicContact CD1-CG1 3.96Å; A302-V314 HydrophobicContact CB-CB 4.3Å; A302-V314 HydrophobicContact CB-CG2 4.12Å; V314-S316 PolarHBondContact O-N 2.76Å; V314-S316 PolarHBondContact O-OG 3.44Å
315L96.9Very high91.7Very high0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-71100.3172.5-171.857.2000107.5I42 L159 L161 A296 F297 F304 V318I42-L315 HydrophobicContact CD1-CD1 4.14Å; L159-L315 HydrophobicContact CD2-CD1 4.18Å; L159-L315 HydrophobicContact CG-CD1 4.2Å; L161-L315 HydrophobicContact CB-CD1 4.07Å; A296-L315 VanDerWaalsContact O-CB 3.25Å; A296-L315 WeakPolarHBondContact O-CB 3.48Å; A296-L315 PolarHBondContact O-N 2.92Å; F297-L315 HydrophobicContact CD1-CB 4.23Å; F297-L315 HydrophobicContact CD1-CD2 4.46Å; F297-L315 HydrophobicContact CD1-CG 4.32Å; F297-L315 VanDerWaalsContact CD1-O 3.32Å; F297-L315 WeakPolarHBondContact CD1-O 3.08Å; F297-L315 HydrophobicContact CE1-CB 4.36Å; F297-L315 HydrophobicContact CE1-CD2 3.79Å; F297-L315 HydrophobicContact CE1-CG 4Å; F297-L315 HydrophobicContact CZ-CD2 4.39Å; F304-L315 HydrophobicContact CE2-CB 4.16Å; F304-L315 HydrophobicContact CZ-CB 4.05Å; L315-V318 HydrophobicContact CD1-CG2 4.05Å; L315-V318 HydrophobicContact CD2-CG2 3.44Å; L315-V318 VanDerWaalsContact CD2-CG2 3.44Å; L315-V318 HydrophobicContact CG-CG2 3.67Å
316S96.6Very high91.6Very high10 Ų1026.6 Ų26.67%0.0715%0.154CC..EExtended strand (participates in β ladder)trans-74.6-48.9-173.8-56.30000110.4R158 L159 K285 V314R158-S316 PolarHBondContact N-OG 3.17Å; L159-S316 PolarHBondContact N-OG 3.45Å; L159-S316 WeakPolarHBondContact O-CA 3.31Å; L159-S316 WeakPolarHBondContact O-CB 3.42Å; L159-S316 PolarHBondContact O-N 3.41Å; K285-S316 WeakPolarHBondContact CD-O 3.26Å; K285-S316 WeakPolarHBondContact CE-O 3.35Å; K285-S316 PolarHBondContact NZ-O 2.99Å; V314-S316 PolarHBondContact O-N 2.76Å; V314-S316 PolarHBondContact O-OG 3.44Å
317E96.1Very high91.6Very high24 Ų2426.7 Ų26.711%0.11215%0.151CC..EExtended strand (participates in β ladder)trans-142.1146.6-176-63-55.7139.300110.7I152 L159 V160 L161 K285I152-E317 HydrophobicContact CG2-CG 4.21Å; L159-E317 PolarHBondContact O-N 2.88Å; V160-E317 HydrophobicContact CG1-CB 4.09Å; V160-E317 HydrophobicContact CG2-CB 4.23Å; L161-E317 PolarHBondContact N-O 3.45Å; K285-E317 IonicContact NZ-OE1 2.69Å; K285-E317 PolarHBondContact NZ-OE1 2.71Å
318V96.8Very high91.5Very high3 Ų326.9 Ų26.92%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-132.2105.3173.7-175.90000107.9L161 L284 L288 F297 L315L161-V318 HydrophobicContact CB-CG1 4.41Å; L161-V318 HydrophobicContact CB-CG2 4.35Å; L161-V318 HydrophobicContact CD2-CG1 3.98Å; L161-V318 HydrophobicContact CG-CG1 4.35Å; L284-V318 HydrophobicContact CB-CB 4.1Å; L284-V318 HydrophobicContact CB-CG1 3.87Å; L284-V318 HydrophobicContact CD1-CG1 4.05Å; L284-V318 HydrophobicContact CG-CG1 4.48Å; L284-V318 PolarHBondContact N-O 2.97Å; L288-V318 HydrophobicContact CD1-CB 4.46Å; L288-V318 HydrophobicContact CD1-CG1 4.18Å; F297-V318 HydrophobicContact CE1-CG2 3.86Å; F297-V318 HydrophobicContact CZ-CG2 4.41Å; L315-V318 HydrophobicContact CD1-CG2 4.05Å; L315-V318 HydrophobicContact CD2-CG2 3.44Å; L315-V318 VanDerWaalsContact CD2-CG2 3.44Å; L315-V318 HydrophobicContact CG-CG2 3.67Å
319V96.5Very high91.2Very high5 Ų530.1 Ų30.13%0.0317%0.166CC..EExtended strand (participates in β ladder)trans-111.4127.2-175.3-175.40000109.5L147 L148 I152 L161 N163L147-V319 HydrophobicContact CD1-CG1 3.89Å; L147-V319 HydrophobicContact CD2-CG1 4.49Å; L147-V319 HydrophobicContact CG-CG1 3.95Å; L148-V319 HydrophobicContact CD2-CB 3.97Å; L148-V319 HydrophobicContact CD2-CG1 4.13Å; L148-V319 HydrophobicContact CD2-CG2 3.6Å; I152-V319 HydrophobicContact CG2-CG2 4.18Å; L161-V319 PolarHBondContact O-N 3.14Å; N163-V319 PolarHBondContact N-O 3.45Å
320H96.6Very high90.2Very high0 Ų027.1 Ų27.10%015%0.148CC..EExtended strand (participates in β ladder)trans-122123.8176.5-179.972.2000110.6S31 I35 N163 N281 Y282 L284 S322S31-H320 PolarHBondContact N-NE2 3.2Å; I35-H320 HydrophobicContact CD1-CB 4.27Å; I35-H320 HydrophobicContact CG1-CB 4.15Å; I35-H320 WeakPolarHBondContact CG1-ND1 3.33Å; N163-H320 HydrophobicContact CB-CB 4.46Å; N163-H320 CarbonylContact O-C 3.58Å; N163-H320 VanDerWaalsContact O-CA 3.28Å; N163-H320 WeakPolarHBondContact O-CA 3.37Å; N163-H320 PolarHBondContact OD1-CE1 3.06Å; N163-H320 PolarHBondContact OD1-ND1 2.96Å; N281-H320 CarbonylContact C-O 3.58Å; N281-H320 PolarHBondContact OD1-O 3.02Å; Y282-H320 AromaticContact CD2-CD2 3.9Å; Y282-H320 PolarHBondContact N-O 3.12Å; Y282-H320 PolarHBondContact O-N 3.46Å; L284-H320 HydrophobicContact CD1-CB 3.51Å; L284-H320 HydrophobicContact CG-CB 3.96Å; H320-S322 PolarHBondContact NE2-OG 3.09Å
321K95.9Very high88Confident18 Ų1830.1 Ų30.18%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-128135171.7-171.7162.3173.8-1780111.1I144 Q145 L147 N163 A164 I165 E279 E280 N281I144-K321 HydrophobicContact CG2-CB 4.18Å; I144-K321 HydrophobicContact CG2-CD 3.56Å; I144-K321 HydrophobicContact CG2-CG 3.81Å; Q145-K321 PolarHBondContact O-NZ 3.42Å; L147-K321 HydrophobicContact CD1-CB 3.14Å; L147-K321 HydrophobicContact CD1-CD 3.9Å; L147-K321 HydrophobicContact CD1-CG 4.11Å; N163-K321 PolarHBondContact O-N 3.41Å; A164-K321 VanDerWaalsContact CA-O 3.26Å; A164-K321 WeakPolarHBondContact CA-O 3.37Å; I165-K321 PolarHBondContact N-O 3.17Å; E279-K321 WeakPolarHBondContact OE1-CE 3.31Å; E279-K321 IonicContact OE1-NZ 2.7Å; E279-K321 PolarHBondContact OE1-NZ 3.31Å; E280-K321 VanDerWaalsContact O-CA 3.32Å; E280-K321 WeakPolarHBondContact O-CA 3.34Å; E280-K321 WeakPolarHBondContact O-CG 3.47Å; N281-K321 HydrophobicContact CB-CD 4.16Å; N281-K321 HydrophobicContact CB-CG 4.26Å
322S93.8Very high86.3Confident0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-135.2145.5-178.326.80000111.8F29 F30 I165 E279 E280 H320F29-S322 PolarHBondContact O-OG 2.88Å; F30-S322 VanDerWaalsContact CA-OG 3.32Å; F30-S322 WeakPolarHBondContact CA-OG 3.4Å; I165-S322 WeakPolarHBondContact O-CA 3.34Å; E279-S322 WeakPolarHBondContact CA-O 3.25Å; E280-S322 PolarHBondContact N-O 2.77Å; E280-S322 PolarHBondContact O-N 2.82Å; H320-S322 PolarHBondContact NE2-OG 3.09Å
323F91.9Very high83.8Confident3 Ų329.9 Ų29.91%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-132132.6-177.2-175.7-72.8000110.4F29 K143 I144 I165 Y166 F167 K277 L278 E279 E325F29-F323 VanDerWaalsContact CE1-C 3.46Å; K143-F323 HydrophobicContact CD-CZ 4.48Å; I144-F323 HydrophobicContact CD1-CB 4.36Å; I144-F323 HydrophobicContact CG1-CB 4.24Å; I165-F323 PolarHBondContact O-N 3.08Å; I165-F323 VanDerWaalsContact O-N 3.08Å; Y166-F323 HydrophobicContact CD2-CB 4.27Å; Y166-F323 AromaticContact CD2-CD1 3.48Å; Y166-F323 HydrophobicContact CD2-CD1 3.48Å; Y166-F323 VanDerWaalsContact CD2-CD1 3.48Å; Y166-F323 HydrophobicContact CD2-CE1 4.1Å; Y166-F323 HydrophobicContact CD2-CG 4.15Å; Y166-F323 AromaticContact CE2-CD1 3.71Å; Y166-F323 HydrophobicContact CE2-CD1 3.71Å; Y166-F323 AromaticContact CE2-CE1 3.85Å; Y166-F323 HydrophobicContact CE2-CE1 3.85Å; F167-F323 PolarHBondContact N-O 3.21Å; K277-F323 HydrophobicContact CD-CE1 4.46Å; K277-F323 HydrophobicContact CD-CE2 3.91Å; K277-F323 HydrophobicContact CD-CZ 3.59Å; K277-F323 HydrophobicContact CG-CE1 4.4Å; K277-F323 HydrophobicContact CG-CE2 4.26Å; K277-F323 HydrophobicContact CG-CZ 3.93Å; K277-F323 VanDerWaalsContact NZ-CE2 3.26Å; L278-F323 WeakPolarHBondContact O-CA 3.5Å; E279-F323 HydrophobicContact CB-CD2 4.06Å; E279-F323 HydrophobicContact CG-CD2 4.05Å; F323-E325 HydrophobicContact CE1-CB 3.91Å
324V91.8Very high80.6Confident0 Ų034.4 Ų34.40%021%0.206CC..EExtended strand (participates in β ladder)trans-135.7142.9166.9610000110.5F29 F167 F276 K277 L278 V326F29-V324 HydrophobicContact CD1-CB 4.2Å; F29-V324 HydrophobicContact CD1-CG1 3.71Å; F29-V324 HydrophobicContact CD2-CG1 3.8Å; F29-V324 HydrophobicContact CE1-CB 3.53Å; F29-V324 HydrophobicContact CE1-CG1 3.53Å; F29-V324 HydrophobicContact CE2-CB 3.97Å; F29-V324 HydrophobicContact CE2-CG1 3.61Å; F29-V324 HydrophobicContact CG-CG1 3.84Å; F29-V324 HydrophobicContact CZ-CB 3.39Å; F29-V324 HydrophobicContact CZ-CG1 3.48Å; F29-V324 VanDerWaalsContact CZ-CG1 3.48Å; F29-V324 HydrophobicContact CZ-CG2 4.26Å; F167-V324 HydrophobicContact CD1-CG2 4.12Å; F276-V324 HydrophobicContact CE2-CG1 4.42Å; K277-V324 CarbonylContact C-O 3.46Å; K277-V324 WeakPolarHBondContact CA-O 3.27Å; L278-V324 HydrophobicContact CB-CG1 3.91Å; L278-V324 HydrophobicContact CG-CG1 4.46Å; L278-V324 PolarHBondContact N-O 3.32Å; L278-V324 PolarHBondContact O-N 3.07Å; V324-V326 HydrophobicContact CG2-CG2 4.07Å
325E91.1Very high77.4Confident69 Ų6938.3 Ų38.332%0.32224%0.24SC..EExtended strand (participates in β ladder)trans-123.8120.3170.5-177.1178.5176.500108.6F323F323-E325 HydrophobicContact CE1-CB 3.91Å
326V93.1Very high74.2Confident2 Ų242.7 Ų42.71%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-109.5113.9176.9170.10000108.4W171 M198 M228 L273 R275 F276 V324W171-V326 HydrophobicContact CZ2-CG1 3.98Å; M198-V326 HydrophobicContact CE-CG1 3.85Å; M228-V326 HydrophobicContact CE-CG2 3.69Å; L273-V326 HydrophobicContact CD2-CG1 4.03Å; R275-V326 WeakPolarHBondContact CA-O 3.37Å; R275-V326 VanDerWaalsContact CG-O 3.26Å; R275-V326 WeakPolarHBondContact CG-O 3.37Å; F276-V326 HydrophobicContact CD1-CB 4.11Å; F276-V326 HydrophobicContact CD1-CG1 4.28Å; F276-V326 HydrophobicContact CD2-CB 4.21Å; F276-V326 HydrophobicContact CD2-CG2 4.29Å; F276-V326 HydrophobicContact CE1-CB 3.87Å; F276-V326 HydrophobicContact CE1-CG1 3.92Å; F276-V326 HydrophobicContact CE1-CG2 4Å; F276-V326 HydrophobicContact CE2-CB 4.01Å; F276-V326 HydrophobicContact CE2-CG2 3.64Å; F276-V326 HydrophobicContact CG-CB 4.28Å; F276-V326 HydrophobicContact CZ-CB 3.84Å; F276-V326 HydrophobicContact CZ-CG1 4.27Å; F276-V326 HydrophobicContact CZ-CG2 3.47Å; F276-V326 VanDerWaalsContact CZ-CG2 3.47Å; F276-V326 PolarHBondContact N-O 3.38Å; F276-V326 PolarHBondContact O-N 2.92Å; V324-V326 HydrophobicContact CG2-CG2 4.07Å
327N93.8Very high71.2Confident20 Ų2048.9 Ų48.911%0.10731%0.314CS..  trans-140.2-168.6178.566.432000110.4W171 R275 E329W171-N327 PolarHBondContact NE1-O 2.94Å; R275-N327 HydrophobicContact CG-CB 4.19Å; N327-E329 VanDerWaalsContact C-N 3.29Å; N327-E329 PolarHBondContact O-N 3.23Å; N327-E329 WeakPolarHBondContact OD1-CB 3.48Å; N327-E329 WeakPolarHBondContact OD1-CG 3.46Å; N327-E329 PolarHBondContact OD1-N 3.5Å
328E94Very high68Low4 Ų451.9 Ų51.92%0.01934%0.343CS..SBendtrans-75.3-15.7-174.3-64.179.4-171.500114.5F175 K177 T180 M198 R275F175-E328 HydrophobicContact CB-CB 4Å; F175-E328 HydrophobicContact CB-CG 3.86Å; F175-E328 PolarHBondContact N-O 3.08Å; F175-E328 WeakPolarHBondContact O-CB 3.3Å; K177-E328 HydrophobicContact CG-CB 3.67Å; K177-E328 HydrophobicContact CG-CG 3.79Å; T180-E328 WeakPolarHBondContact CG2-OE1 3.35Å; T180-E328 PolarHBondContact OG1-OE1 3.23Å; T180-E328 VanDerWaalsContact OG1-OE1 3.06Å; M198-E328 HydrophobicContact CG-CG 4.07Å; M198-E328 WeakPolarHBondContact CG-OE1 3.28Å; M198-E328 HydrophobicContact SD-CB 4.39Å; M198-E328 HydrophobicContact SD-CG 3.7Å; M198-E328 PolarHBondContact SD-N 3.25Å; R275-E328 IonicContact CZ-OE1 2.82Å; R275-E328 IonicContact CZ-OE2 3.97Å; R275-E328 IonicContact NE-OE1 3.2Å; R275-E328 PolarHBondContact NE-OE1 2.81Å; R275-E328 IonicContact NE-OE2 3.74Å; R275-E328 PolarHBondContact NE-OE2 3.29Å; R275-E328 IonicContact NH2-OE1 3.08Å; R275-E328 PolarHBondContact NH2-OE1 2.94Å; R275-E328 IonicContact NH2-OE2 3.05Å; R275-E328 PolarHBondContact NH2-OE2 3.03Å
329E87.3Confident65Low68 Ų6855.6 Ų55.632%0.31838%0.382SS..  trans-72.5148.1-159.1-61.4-169.2153.600115.8K168 W171 K177 N327K168-E329 IonicContact NZ-OE2 2.63Å; K168-E329 PolarHBondContact NZ-OE2 3.07Å; W171-E329 PolarHBondContact N-O 3.47Å; W171-E329 VanDerWaalsContact N-O 3.09Å; K177-E329 IonicContact NZ-OE1 3.25Å; K177-E329 PolarHBondContact NZ-OE1 3.42Å; N327-E329 VanDerWaalsContact C-N 3.29Å; N327-E329 PolarHBondContact O-N 3.23Å; N327-E329 WeakPolarHBondContact OD1-CB 3.48Å; N327-E329 WeakPolarHBondContact OD1-CG 3.46Å; N327-E329 PolarHBondContact OD1-N 3.5Å
330G63.1Low61.9Low16 Ų1660.3 Ų60.317%0.16541%0.411CS..SBendtrans-169.2-174168.700000110.8Q174 E332Q174-G330 VanDerWaalsContact CD-O 3.23Å; Q174-G330 VanDerWaalsContact CG-CA 3.45Å; Q174-G330 VanDerWaalsContact CG-N 3.33Å; Q174-G330 PolarHBondContact NE2-O 3.39Å; Q174-G330 PolarHBondContact OE1-O 3.3Å; G330-E332 PolarHBondContact O-N 2.97Å
331T29.3Very low59Low97 Ų9769.7 Ų69.760%0.59546%0.457SS*.  trans-74.4121.8169.7-58.40000109.2Q174 A333Q174-T331 PolarHBondContact NE2-O 3.43Å; T331-A333 PolarHBondContact O-N 3.45Å
332E33Very low56.2Low183 Ų18376.8 Ų76.886%0.85549%0.492SS*.  trans-57.698178.9-84-175.3152.900110.2Q174 G330Q174-E332 VanDerWaalsContact NE2-CA 3.35Å; G330-E332 PolarHBondContact O-N 2.97Å
333A31.8Very low53.7Low87 Ų8785 Ų8572%0.71954%0.535SS*.  trans-101.2130.1169.900000109.2T331T331-A333 PolarHBondContact O-N 3.45Å
334A28.3Very low51.4Low98 Ų9896.5 Ų96.581%0.8158%0.578SS**  trans-59.3133.2-166.600000113.4A336A334-A336 PolarHBondContact O-N 3.49Å; A334-A336 VanDerWaalsContact O-N 3.09Å
335A28.8Very low49.1Very low97 Ų97102.2 Ų102.280%0.80262%0.617SS**  trans-52.5114.116000000110.1
336A28.5Very low47Very low93 Ų93103.9 Ų103.977%0.76964%0.643SS**  trans-114.975161.800000108.4A334 A338A334-A336 PolarHBondContact O-N 3.49Å; A334-A336 VanDerWaalsContact O-N 3.09Å; A336-A338 PolarHBondContact O-N 3.45Å
337T32.9Very low45.4Very low140 Ų140112.1 Ų112.186%0.85968%0.683SS**  trans-65.389.9160.329.30000108.6G339T337-G339 PolarHBondContact O-N 3.11Å; T337-G339 VanDerWaalsContact O-N 3.17Å
338A29.7Very low44.7Very low87 Ų87118.6 Ų118.672%0.71972%0.716SS**  trans-72.6100.6163.800000107.9A336 V340A336-A338 PolarHBondContact O-N 3.45Å; A338-V340 PolarHBondContact O-N 3.03Å
339G33.5Very low44.5Very low80 Ų80119.9 Ų119.983%0.82572%0.724SS**  trans-63.2100.917200000110.4T337T337-G339 PolarHBondContact O-N 3.11Å; T337-G339 VanDerWaalsContact O-N 3.17Å
340V31.4Very low44.8Very low105 Ų105118.9 Ų118.964%0.63672%0.723SS**  trans-105.1103.6163.9-177.20000107.1A338 M342A338-V340 PolarHBondContact O-N 3.03Å; V340-M342 HydrophobicContact CG1-CE 4.17Å; V340-M342 HydrophobicContact CG1-CG 3.95Å; V340-M342 HydrophobicContact CG1-SD 4.47Å; V340-M342 PolarHBondContact O-N 2.89Å
341M35.2Very low46.3Very low196 Ų196123 Ų12397%0.96674%0.739SS**  trans-60.9103.7161.7-87.3-171.8160.300108
342M38.3Very low49.6Very low167 Ų167118.4 Ų118.482%0.82371%0.71SS**  trans-121.8143.8162.8-89.3-172.3-167.600110.9V340V340-M342 HydrophobicContact CG1-CE 4.17Å; V340-M342 HydrophobicContact CG1-CG 3.95Å; V340-M342 HydrophobicContact CG1-SD 4.47Å; V340-M342 PolarHBondContact O-N 2.89Å
343L40.2Very low52.7Low172 Ų172111.6 Ų111.690%0.90168%0.681SS**  trans-59.8138-164.1-70.7134.7000114.3C345L343-C345 PolarHBondContact O-N 2.71Å; L343-C345 VanDerWaalsContact O-N 3.1Å
344R43.7Very low55.9Low246 Ų246107.4 Ų107.493%0.92865%0.647SS**SBendtrans-11.990.1161.2-60.8178.6179.3-177.1-0.8117.1
345C43.3Very low59.2Low120 Ų120104.3 Ų104.381%0.81162%0.616SS**  trans-138.6133.8133.5-80.10000106.1L343 M347L343-C345 PolarHBondContact O-N 2.71Å; L343-C345 VanDerWaalsContact O-N 3.1Å; C345-M347 VanDerWaalsContact C-N 3.35Å; C345-M347 PolarHBondContact O-N 2.93Å
346A48.3Very low62.5Low104 Ų104100.1 Ų100.186%0.8658%0.58SS**  trans-70.594.1175.700000108.5I348A346-I348 PolarHBondContact O-N 2.83Å
347M59.2Low65.8Low174 Ų17495.7 Ų95.786%0.85754%0.544SS*.  trans-68.2113.6172.4-154.2178.4-72.100107C345 V349C345-M347 VanDerWaalsContact C-N 3.35Å; C345-M347 PolarHBondContact O-N 2.93Å; M347-V349 PolarHBondContact O-N 3.43Å; M347-V349 VanDerWaalsContact O-N 3.11Å
348I79.5Confident68.9Low156 Ų15689 Ų8980%0.850%0.503SS*.  trans-73.7104.1178.4-60.4175.8000106.6A346 P350A346-I348 PolarHBondContact O-N 2.83Å; I348-P350 WeakPolarHBondContact O-CD 3.3Å
349V88.8Confident72.1Confident31 Ų3184.9 Ų84.919%0.18847%0.468CS..  trans-69.7120175-177.40000108.3E268 K270 M347E268-V349 HydrophobicContact CB-CG1 4.48Å; E268-V349 HydrophobicContact CG-CG1 4.21Å; E268-V349 WeakPolarHBondContact O-CG1 3.43Å; E268-V349 WeakPolarHBondContact OE2-CG2 3.36Å; K270-V349 HydrophobicContact CG-CG1 3.95Å; M347-V349 PolarHBondContact O-N 3.43Å; M347-V349 VanDerWaalsContact O-N 3.11Å
350P93.5Very high75.2Confident47 Ų4781 Ų8131%0.30543%0.429SS..  trans-56.1147.8176.3-25.534.4000112.8M206 T267 E268 K270 I348M206-P350 HydrophobicContact SD-CB 4.11Å; T267-P350 HydrophobicContact CG2-CG 4.46Å; E268-P350 WeakPolarHBondContact O-CD 3.26Å; K270-P350 PolarHBondContact N-O 2.81Å; I348-P350 WeakPolarHBondContact O-CD 3.3Å
351E95.9Very high78.3Confident104 Ų10476.1 Ų76.149%0.48640%0.399SS..EExtended strand (participates in β ladder)trans-116.8127.6175.6-55.4-165.816500110.1K215 K270K215-E351 PolarHBondContact NZ-O 3.02Å; K270-E351 HydrophobicContact CB-CG 4.24Å; K270-E351 HydrophobicContact CD-CG 4.24Å; K270-E351 IonicContact NZ-OE1 2.76Å; K270-E351 PolarHBondContact NZ-OE1 2.92Å; K270-E351 WeakPolarHBondContact O-CA 3.42Å
352F98.3Very high81.3Confident0 Ų066.8 Ų66.80%035%0.353CS..EExtended strand (participates in β ladder)trans-113.9101.6171.8-170.2-82.1000108.2M206 K215 L217 I230 L232 V269 K270 V271 S272 A354M206-F352 HydrophobicContact CE-CD2 4.34Å; K215-F352 HydrophobicContact CB-CD2 3.91Å; K215-F352 HydrophobicContact CB-CE2 3.7Å; K215-F352 HydrophobicContact CD-CD2 4.38Å; L217-F352 HydrophobicContact CB-CD1 4.19Å; L217-F352 HydrophobicContact CB-CD2 3.67Å; L217-F352 HydrophobicContact CB-CE1 4.06Å; L217-F352 HydrophobicContact CB-CE2 3.52Å; L217-F352 HydrophobicContact CB-CG 4Å; L217-F352 HydrophobicContact CB-CZ 3.72Å; L217-F352 HydrophobicContact CD2-CB 4.16Å; L217-F352 HydrophobicContact CD2-CD1 3.53Å; L217-F352 HydrophobicContact CD2-CD2 4.28Å; L217-F352 HydrophobicContact CD2-CE1 3.92Å; L217-F352 HydrophobicContact CD2-CG 3.73Å; L217-F352 HydrophobicContact CD2-CZ 4.44Å; L217-F352 HydrophobicContact CG-CD1 4.48Å; L217-F352 HydrophobicContact CG-CD2 4.47Å; L217-F352 HydrophobicContact CG-CG 4.37Å; I230-F352 HydrophobicContact CB-CE1 4.2Å; I230-F352 HydrophobicContact CB-CZ 3.84Å; I230-F352 HydrophobicContact CD1-CE1 4.37Å; I230-F352 HydrophobicContact CG2-CE1 3.95Å; I230-F352 HydrophobicContact CG2-CZ 3.65Å; L232-F352 HydrophobicContact CB-CE1 4.32Å; L232-F352 HydrophobicContact CB-CE2 3.87Å; L232-F352 HydrophobicContact CB-CZ 3.52Å; L232-F352 HydrophobicContact CD2-CD1 4.24Å; L232-F352 HydrophobicContact CD2-CD2 4.42Å; L232-F352 HydrophobicContact CD2-CE1 3.87Å; L232-F352 HydrophobicContact CD2-CE2 4.07Å; L232-F352 HydrophobicContact CD2-CZ 3.78Å; L232-F352 HydrophobicContact CG-CZ 4.31Å; V269-F352 HydrophobicContact CG1-CB 3.89Å; K270-F352 PolarHBondContact O-N 2.72Å; V271-F352 CarbonylContact C-O 3.54Å; V271-F352 WeakPolarHBondContact CA-O 3.2Å; S272-F352 PolarHBondContact N-O 2.97Å; F352-A354 HydrophobicContact CE1-CB 4.22Å
353T98.3Very high84Confident39 Ų3959.3 Ų59.324%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-118.199.8-175.1-63.20000109.3L232 D355L232-T353 WeakPolarHBondContact CD2-O 3.36Å; T353-D355 HydrophobicContact CG2-CB 3.92Å; T353-D355 PolarHBondContact O-N 3.47Å
354A98.4Very high86.6Confident0 Ų051.4 Ų51.40%027%0.274CS..  trans-80.362.7179.300000111.4F185 L232 S272 L273 P274 F352 F358F185-A354 WeakPolarHBondContact CE2-O 2.92Å; L232-A354 HydrophobicContact CD1-CB 4.42Å; L232-A354 HydrophobicContact CD2-CB 4.33Å; S272-A354 PolarHBondContact O-N 3.39Å; L273-A354 HydrophobicContact CD1-CB 4.15Å; P274-A354 WeakPolarHBondContact CD-O 3.44Å; F352-A354 HydrophobicContact CE1-CB 4.22Å; A354-F358 HydrophobicContact CB-CD1 3.83Å; A354-F358 HydrophobicContact CB-CE1 3.82Å
355D97.9Very high88.9Confident32 Ų3241 Ų4117%0.17124%0.237CC..  trans-93.513.8-179.975.2-28.2000113.9F185 K186 M197 T353F185-D355 CarbonylContact C-O 3.59Å; F185-D355 VanDerWaalsContact CA-O 3.3Å; F185-D355 WeakPolarHBondContact CA-O 3.26Å; F185-D355 VanDerWaalsContact CD2-C 3.46Å; K186-D355 PolarHBondContact N-O 3.31Å; K186-D355 IonicContact NZ-OD1 3.92Å; K186-D355 IonicContact NZ-OD2 2.7Å; K186-D355 PolarHBondContact NZ-OD2 2.97Å; M197-D355 HydrophobicContact CE-CB 4.16Å; T353-D355 HydrophobicContact CG2-CB 3.92Å; T353-D355 PolarHBondContact O-N 3.47Å
356H97.8Very high91.2Very high9 Ų942.3 Ų42.34%0.04223%0.229CC..SBendtrans-158.9174.6-178.863.5-87.1000109.9F185 K186 P233 I236 F358F185-H356 WeakPolarHBondContact CE2-O 3.3Å; F185-H356 VanDerWaalsContact CZ-O 3.23Å; F185-H356 WeakPolarHBondContact CZ-O 3.48Å; K186-H356 HydrophobicContact CB-CB 4Å; K186-H356 WeakPolarHBondContact O-CA 3.43Å; P233-H356 PolarHBondContact O-CE1 3.48Å; P233-H356 VanDerWaalsContact O-CE1 3.31Å; P233-H356 PolarHBondContact O-NE2 2.92Å; I236-H356 HydrophobicContact CD1-CB 4.09Å; I236-H356 HydrophobicContact CG1-CB 4.16Å; H356-F358 WeakPolarHBondContact O-CD1 3.46Å; H356-F358 PolarHBondContact O-N 2.77Å
357P97.7Very high93.1Very high0 Ų038 Ų380%019%0.192CC..  trans-60.2139.6-166.7-26.537.8000113.6F185 K186 T241 L243 F376F185-P357 HydrophobicContact CE1-CG 4.39Å; K186-P357 VanDerWaalsContact O-CD 3.31Å; K186-P357 WeakPolarHBondContact O-CD 3.45Å; T241-P357 HydrophobicContact CG2-CG 4.46Å; T241-P357 WeakPolarHBondContact O-CB 3.4Å; T241-P357 WeakPolarHBondContact O-CD 3.28Å; T241-P357 VanDerWaalsContact O-CG 3.31Å; T241-P357 WeakPolarHBondContact O-CG 3.43Å; L243-P357 HydrophobicContact CD1-CB 3.77Å; L243-P357 HydrophobicContact CG-CB 4.16Å; P357-F376 WeakPolarHBondContact CA-O 3.39Å
358F97.9Very high94.5Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-140.7155.5179.157.2-95.9000111.4F185 I230 L231 L232 L273 P274 F276 A354 H356 F360 F376F185-F358 HydrophobicContact CE2-CE1 4.19Å; I230-F358 HydrophobicContact CG2-CB 3.95Å; I230-F358 HydrophobicContact CG2-CD2 3.63Å; I230-F358 HydrophobicContact CG2-CE2 4.31Å; I230-F358 HydrophobicContact CG2-CG 3.87Å; L231-F358 WeakPolarHBondContact O-CB 3.11Å; L232-F358 HydrophobicContact CB-CB 4.44Å; L232-F358 HydrophobicContact CD1-CB 3.93Å; L273-F358 HydrophobicContact CD1-CZ 4.43Å; P274-F358 HydrophobicContact CG-CE1 3.8Å; P274-F358 HydrophobicContact CG-CZ 4Å; F276-F358 HydrophobicContact CE1-CE2 4.46Å; F276-F358 AromaticContact CE1-CZ 3.99Å; F276-F358 HydrophobicContact CE1-CZ 3.99Å; A354-F358 HydrophobicContact CB-CD1 3.83Å; A354-F358 HydrophobicContact CB-CE1 3.82Å; H356-F358 WeakPolarHBondContact O-CD1 3.46Å; H356-F358 PolarHBondContact O-N 2.77Å; F358-F360 HydrophobicContact CD2-CB 4.25Å; F358-F360 HydrophobicContact CD2-CD1 4.14Å; F358-F360 HydrophobicContact CE2-CB 4.3Å; F358-F360 AromaticContact CE2-CD1 3.82Å; F358-F360 HydrophobicContact CE2-CD1 3.82Å; F358-F360 HydrophobicContact CE2-CG 4.37Å; F358-F376 HydrophobicContact CD1-CB 4.43Å; F358-F376 HydrophobicContact CD1-CD1 4.35Å; F358-F376 HydrophobicContact CD2-CB 4.2Å; F358-F376 HydrophobicContact CE1-CB 3.94Å; F358-F376 AromaticContact CE1-CD1 3.49Å; F358-F376 HydrophobicContact CE1-CD1 3.49Å; F358-F376 VanDerWaalsContact CE1-CD1 3.49Å; F358-F376 HydrophobicContact CE1-CE1 4.39Å; F358-F376 HydrophobicContact CE1-CG 4.06Å; F358-F376 HydrophobicContact CE2-CB 3.69Å; F358-F376 HydrophobicContact CE2-CG 4.42Å; F358-F376 HydrophobicContact CZ-CB 3.54Å; F358-F376 AromaticContact CZ-CD1 3.67Å; F358-F376 HydrophobicContact CZ-CD1 3.67Å; F358-F376 AromaticContact CZ-CG 3.8Å; F358-F376 HydrophobicContact CZ-CG 3.8Å; F358-F376 PolarHBondContact N-O 3.31Å; F358-F376 PolarHBondContact O-N 3.07Å
359L97.7Very high95.1Very high0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-91.5146.4164.8-64.1176.1000109L16 I230 L231 L243 L246 E247 F361 G374 R375L16-L359 HydrophobicContact CD2-CD2 4.44Å; I230-L359 WeakPolarHBondContact CA-O 3.22Å; L231-L359 HydrophobicContact CB-CB 4.27Å; L231-L359 PolarHBondContact N-O 3.45Å; L231-L359 PolarHBondContact O-N 3.48Å; L231-L359 VanDerWaalsContact O-N 3.09Å; L243-L359 HydrophobicContact CD1-CD2 4.28Å; L243-L359 HydrophobicContact CD1-CG 4.37Å; L243-L359 HydrophobicContact CD2-CG 4.32Å; L246-L359 HydrophobicContact CB-CD1 4.22Å; E247-L359 HydrophobicContact CG-CD1 4.28Å; E247-L359 HydrophobicContact CG-CD2 4.37Å; L359-F361 HydrophobicContact CB-CE2 4.35Å; L359-G374 WeakPolarHBondContact CA-O 3.35Å; L359-R375 HydrophobicContact CD2-CB 3.78Å; L359-R375 HydrophobicContact CD2-CG 3.87Å
360F97.6Very high95.4Very high0 Ų023.6 Ų23.60%012%0.124CC..EExtended strand (participates in β ladder)trans-140.1152.1171.770.2-84.3000112.1F29 M228 I229 I230 F276 L278 F358 G374 F376F29-F360 AromaticContact CD2-CE2 3.88Å; F29-F360 HydrophobicContact CD2-CE2 3.88Å; F29-F360 AromaticContact CD2-CZ 3.63Å; F29-F360 HydrophobicContact CD2-CZ 3.63Å; F29-F360 AromaticContact CE2-CE2 3.78Å; F29-F360 HydrophobicContact CE2-CE2 3.78Å; F29-F360 HydrophobicContact CE2-CZ 4.01Å; M228-F360 HydrophobicContact CE-CD2 4.05Å; M228-F360 HydrophobicContact CE-CE2 4.35Å; M228-F360 HydrophobicContact CG-CB 4.44Å; M228-F360 HydrophobicContact SD-CD2 4.43Å; I229-F360 CarbonylContact O-C 3.58Å; I229-F360 WeakPolarHBondContact O-CA 3.5Å; I230-F360 HydrophobicContact CG1-CB 4.3Å; F276-F360 HydrophobicContact CE2-CE1 4.41Å; F276-F360 HydrophobicContact CE2-CZ 4.17Å; F276-F360 HydrophobicContact CZ-CE1 4.32Å; F276-F360 HydrophobicContact CZ-CZ 4.31Å; L278-F360 HydrophobicContact CD1-CE1 4.03Å; L278-F360 HydrophobicContact CD1-CZ 3.96Å; F358-F360 HydrophobicContact CD2-CB 4.25Å; F358-F360 HydrophobicContact CD2-CD1 4.14Å; F358-F360 HydrophobicContact CE2-CB 4.3Å; F358-F360 AromaticContact CE2-CD1 3.82Å; F358-F360 HydrophobicContact CE2-CD1 3.82Å; F358-F360 HydrophobicContact CE2-CG 4.37Å; F360-G374 PolarHBondContact N-O 3.27Å; F360-G374 PolarHBondContact O-N 3.19Å; F360-F376 HydrophobicContact CE1-CB 4.47Å
361F97.7Very high95.4Very high1 Ų121.4 Ų21.40%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-131143.7178.2-57.3-88.6000109L13 M228 I229 L231 L250 L255 L359 I370 F372 C373L13-F361 HydrophobicContact CD2-CE1 4.34Å; L13-F361 HydrophobicContact CD2-CZ 4.47Å; M228-F361 CarbonylContact C-O 3.58Å; M228-F361 WeakPolarHBondContact CA-O 3.42Å; I229-F361 PolarHBondContact N-O 3.36Å; I229-F361 PolarHBondContact O-N 2.86Å; L231-F361 HydrophobicContact CD1-CD2 4.21Å; L231-F361 HydrophobicContact CD1-CE2 4.12Å; L231-F361 HydrophobicContact CD2-CE2 4.26Å; L250-F361 HydrophobicContact CD2-CE2 4.39Å; L250-F361 HydrophobicContact CD2-CZ 3.72Å; L255-F361 HydrophobicContact CD1-CD2 4.27Å; L255-F361 HydrophobicContact CD1-CE2 3.96Å; L255-F361 HydrophobicContact CD1-CZ 4.28Å; L255-F361 HydrophobicContact CD2-CE1 4.22Å; L255-F361 HydrophobicContact CD2-CZ 4.34Å; L359-F361 HydrophobicContact CB-CE2 4.35Å; F361-I370 HydrophobicContact CB-CD1 4.3Å; F361-I370 HydrophobicContact CB-CG2 4.4Å; F361-I370 HydrophobicContact CD1-CG2 3.91Å; F361-F372 WeakPolarHBondContact CA-O 3.34Å; F361-C373 HydrophobicContact CD1-CB 4.11Å; F361-C373 HydrophobicContact CE1-CB 4.15Å; F361-C373 WeakPolarHBondContact CE1-SG 3.42Å
362I96.7Very high95.5Very high0 Ų016.5 Ų16.50%09%0.086CC..EExtended strand (participates in β ladder)trans-109.4113.7168.2-57.6175.2000106.9F167 Y221 L226 S227 M228 L371 F372F167-I362 HydrophobicContact CD1-CD1 3.62Å; F167-I362 HydrophobicContact CE1-CD1 3.63Å; F167-I362 HydrophobicContact CG-CD1 4.47Å; F167-I362 HydrophobicContact CZ-CD1 4.48Å; F167-I362 HydrophobicContact CZ-CG2 4.42Å; Y221-I362 HydrophobicContact CE2-CG2 4.4Å; L226-I362 HydrophobicContact CB-CG2 4.46Å; L226-I362 HydrophobicContact CD1-CG2 4.42Å; S227-I362 WeakPolarHBondContact O-CA 3.44Å; M228-I362 HydrophobicContact CE-CD1 4.25Å; M228-I362 HydrophobicContact CE-CG1 4.28Å; I362-L371 PolarHBondContact O-N 2.64Å; I362-F372 HydrophobicContact CB-CB 4.01Å; I362-F372 HydrophobicContact CB-CD2 3.95Å; I362-F372 HydrophobicContact CB-CG 4.45Å; I362-F372 HydrophobicContact CD1-CB 4.17Å; I362-F372 HydrophobicContact CD1-CD2 4.06Å; I362-F372 HydrophobicContact CD1-CG 4.3Å; I362-F372 HydrophobicContact CG1-CB 4.22Å; I362-F372 HydrophobicContact CG2-CD2 4.24Å; I362-F372 PolarHBondContact N-O 2.88Å; I362-F372 PolarHBondContact O-N 3.04Å
363R95.6Very high95.4Very high11 Ų1116.5 Ų16.54%0.0429%0.086CC..EExtended strand (participates in β ladder)trans-103.9138.3-176.8-180-178.468.9-166.2-4.9109.7E218 L226 S227 I229 I259 N365 S369 I370E218-R363 IonicContact OE1-CZ 3.68Å; E218-R363 IonicContact OE1-NH2 3.6Å; E218-R363 PolarHBondContact OE1-NH2 3.14Å; E218-R363 IonicContact OE2-NH2 2.91Å; L226-R363 CarbonylContact C-O 3.6Å; L226-R363 WeakPolarHBondContact CA-O 3.49Å; S227-R363 PolarHBondContact N-O 2.81Å; S227-R363 PolarHBondContact O-N 3.19Å; I229-R363 HydrophobicContact CD1-CB 3.92Å; I259-R363 PolarHBondContact O-NH1 3.1Å; R363-N365 PolarHBondContact NE-OD1 2.92Å; R363-N365 PolarHBondContact NH2-OD1 2.86Å; R363-S369 WeakPolarHBondContact CA-O 3.48Å; R363-I370 HydrophobicContact CB-CD1 4.08Å; R363-I370 HydrophobicContact CG-CD1 4.27Å
364H93.9Very high95.3Very high5 Ų514.6 Ų14.62%0.0238%0.075CC..EExtended strand (participates in β ladder)trans-84.3114162.7-179.8-112.6000110E225 L226 K366 T367 S368 S369 L371E225-H364 PolarHBondContact O-CD2 3.14Å; L226-H364 HydrophobicContact CD2-CB 3.72Å; H364-K366 PolarHBondContact O-N 3.36Å; H364-T367 WeakPolarHBondContact ND1-CG2 3.2Å; H364-T367 PolarHBondContact ND1-OG1 3.25Å; H364-T367 PolarHBondContact O-N 3.04Å; H364-S368 VanDerWaalsContact O-CA 3.24Å; H364-S368 WeakPolarHBondContact O-CA 3.48Å; H364-S368 PolarHBondContact O-N 3.17Å; H364-S369 PolarHBondContact N-O 3.31Å; H364-S369 PolarHBondContact O-N 2.83Å; H364-L371 HydrophobicContact CB-CD1 4.03Å; H364-L371 HydrophobicContact CB-CD2 4.41Å; H364-L371 HydrophobicContact CB-CG 4.12Å
365N92.9Very high95.2Very high29 Ų2914.6 Ų14.616%0.1558%0.075CC..THydrogen-bonded Turntrans-69.7-37.8-164.3-70.3-26000112.4N224 E225 S227 R363 T367 S368N224-N365 WeakPolarHBondContact O-CB 3.19Å; N224-N365 PolarHBondContact O-ND2 2.96Å; N224-N365 PolarHBondContact OD1-ND2 2.93Å; N224-N365 VanDerWaalsContact OD1-ND2 3.07Å; E225-N365 PolarHBondContact O-N 3.42Å; S227-N365 PolarHBondContact OG-ND2 3.36Å; S227-N365 PolarHBondContact OG-OD1 3.35Å; R363-N365 PolarHBondContact NE-OD1 2.92Å; R363-N365 PolarHBondContact NH2-OD1 2.86Å; N365-T367 VanDerWaalsContact C-N 3.3Å; N365-T367 PolarHBondContact O-N 3.29Å; N365-S368 PolarHBondContact O-N 3.1Å
366K90.9Very high95.1Very high146 Ų14613.1 Ų13.164%0.6357%0.067SC*.THydrogen-bonded Turntrans-62-36.4179.2-172.4-171.5-174.7-174.70113E76 H364E76-K366 HydrophobicContact CG-CD 4.25Å; E76-K366 WeakPolarHBondContact OE1-CD 3.38Å; E76-K366 WeakPolarHBondContact OE1-CE 3.31Å; E76-K366 IonicContact OE1-NZ 2.76Å; E76-K366 PolarHBondContact OE1-NZ 3.07Å; E76-K366 IonicContact OE2-NZ 3.73Å; E76-K366 PolarHBondContact OE2-NZ 2.83Å; H364-K366 PolarHBondContact O-N 3.36Å
367T88.8Confident95Very high15 Ų1512.9 Ų12.99%0.0927%0.066CC..THydrogen-bonded Turntrans-106.2-5.4-176.963.10000113.1M1 N5 L73 E76 H364 N365 S369M1-T367 HydrophobicContact SD-CG2 4.35Å; N5-T367 PolarHBondContact ND2-O 3.35Å; L73-T367 HydrophobicContact CD1-CG2 3.95Å; E76-T367 HydrophobicContact CG-CG2 4.45Å; H364-T367 WeakPolarHBondContact ND1-CG2 3.2Å; H364-T367 PolarHBondContact ND1-OG1 3.25Å; H364-T367 PolarHBondContact O-N 3.04Å; N365-T367 VanDerWaalsContact C-N 3.3Å; N365-T367 PolarHBondContact O-N 3.29Å; T367-S369 WeakPolarHBondContact CB-OG 3.4Å; T367-S369 PolarHBondContact O-N 3.23Å; T367-S369 VanDerWaalsContact O-N 3.09Å; T367-S369 WeakPolarHBondContact OG1-CB 3.27Å; T367-S369 PolarHBondContact OG1-N 3.13Å; T367-S369 PolarHBondContact OG1-OG 2.89Å
368S89.8Confident94.7Very high58 Ų5813.9 Ų13.941%0.4067%0.073SC..THydrogen-bonded Turntrans54.219.5-168.9-56.40000114.4H364 N365H364-S368 VanDerWaalsContact O-CA 3.24Å; H364-S368 WeakPolarHBondContact O-CA 3.48Å; H364-S368 PolarHBondContact O-N 3.17Å; N365-S368 PolarHBondContact O-N 3.1Å
369S90.9Very high94.3Very high0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-78.5129.3-178.2-50.20000110.5N5 L73 R363 H364 T367 L371N5-S369 PolarHBondContact OD1-OG 3.37Å; L73-S369 WeakPolarHBondContact CD1-OG 3.34Å; R363-S369 WeakPolarHBondContact CA-O 3.48Å; H364-S369 PolarHBondContact N-O 3.31Å; H364-S369 PolarHBondContact O-N 2.83Å; T367-S369 WeakPolarHBondContact CB-OG 3.4Å; T367-S369 PolarHBondContact O-N 3.23Å; T367-S369 VanDerWaalsContact O-N 3.09Å; T367-S369 WeakPolarHBondContact OG1-CB 3.27Å; T367-S369 PolarHBondContact OG1-N 3.13Å; T367-S369 PolarHBondContact OG1-OG 2.89Å; S369-L371 PolarHBondContact O-N 3.22Å
370I94.7Very high94.1Very high0 Ų018.7 Ų18.70%010%0.104CC..EExtended strand (participates in β ladder)trans-75.2111.4169.3-56-54.9000109N8 T9 P32 M256 I259 F361 R363 F372N8-I370 PolarHBondContact ND2-O 3.14Å; N8-I370 VanDerWaalsContact ND2-O 3.08Å; T9-I370 HydrophobicContact CG2-CG1 4.18Å; P32-I370 HydrophobicContact CG-CG2 4.16Å; M256-I370 HydrophobicContact CE-CD1 4.36Å; M256-I370 HydrophobicContact CE-CG1 4.25Å; I259-I370 HydrophobicContact CD1-CD1 4.23Å; F361-I370 HydrophobicContact CB-CD1 4.3Å; F361-I370 HydrophobicContact CB-CG2 4.4Å; F361-I370 HydrophobicContact CD1-CG2 3.91Å; R363-I370 HydrophobicContact CB-CD1 4.08Å; R363-I370 HydrophobicContact CG-CD1 4.27Å; I370-F372 WeakPolarHBondContact CG2-O 3.32Å
371L94.8Very high94Very high1 Ų119.7 Ų19.71%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-87.1-37.5179.3-60.2-170.9000111.8S31 F33 I77 L226 I362 H364 S369S31-L371 VanDerWaalsContact CA-O 3.27Å; S31-L371 WeakPolarHBondContact CA-O 3.26Å; S31-L371 VanDerWaalsContact CB-O 3.32Å; S31-L371 WeakPolarHBondContact CB-O 3.34Å; S31-L371 PolarHBondContact OG-O 3.1Å; F33-L371 HydrophobicContact CB-CD2 4.1Å; F33-L371 HydrophobicContact CD1-CD2 4.22Å; F33-L371 HydrophobicContact CD2-CD2 4.38Å; F33-L371 HydrophobicContact CG-CD2 3.93Å; I77-L371 HydrophobicContact CD1-CD2 4.37Å; I77-L371 HydrophobicContact CG2-CD2 4.32Å; L226-L371 HydrophobicContact CD2-CD1 3.74Å; I362-L371 PolarHBondContact O-N 2.64Å; H364-L371 HydrophobicContact CB-CD1 4.03Å; H364-L371 HydrophobicContact CB-CD2 4.41Å; H364-L371 HydrophobicContact CB-CG 4.12Å; S369-L371 PolarHBondContact O-N 3.22Å
372F96.4Very high93.7Very high0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-135.9146.4178.7-59.8-91.2000111.4F29 F30 L86 I165 F167 F361 I362 I370F29-F372 AromaticContact CE1-CD1 3.79Å; F29-F372 HydrophobicContact CE1-CD1 3.79Å; F29-F372 HydrophobicContact CE1-CE1 4.11Å; F29-F372 HydrophobicContact CE2-CB 3.64Å; F29-F372 AromaticContact CE2-CD1 3.82Å; F29-F372 HydrophobicContact CE2-CD1 3.82Å; F29-F372 AromaticContact CE2-CG 4Å; F29-F372 HydrophobicContact CE2-CG 4Å; F29-F372 HydrophobicContact CZ-CB 3.86Å; F29-F372 AromaticContact CZ-CD1 3.15Å; F29-F372 HydrophobicContact CZ-CD1 3.15Å; F29-F372 AromaticContact CZ-CE1 3.79Å; F29-F372 HydrophobicContact CZ-CE1 3.79Å; F29-F372 AromaticContact CZ-CG 3.67Å; F29-F372 HydrophobicContact CZ-CG 3.67Å; F30-F372 WeakPolarHBondContact O-CA 3.45Å; L86-F372 HydrophobicContact CD1-CE2 3.76Å; L86-F372 HydrophobicContact CD1-CZ 3.68Å; I165-F372 HydrophobicContact CD1-CE1 3.89Å; I165-F372 HydrophobicContact CD1-CE2 4.41Å; I165-F372 HydrophobicContact CD1-CZ 3.53Å; I165-F372 HydrophobicContact CG1-CE1 3.99Å; I165-F372 HydrophobicContact CG1-CZ 3.74Å; I165-F372 HydrophobicContact CG2-CE1 3.91Å; F167-F372 HydrophobicContact CB-CD2 4.48Å; F167-F372 HydrophobicContact CB-CE1 4.27Å; F167-F372 HydrophobicContact CB-CE2 3.63Å; F167-F372 HydrophobicContact CB-CZ 3.49Å; F167-F372 VanDerWaalsContact CB-CZ 3.49Å; F167-F372 HydrophobicContact CD2-CE2 4.33Å; F167-F372 AromaticContact CG-CE2 3.99Å; F167-F372 HydrophobicContact CG-CE2 3.99Å; F167-F372 HydrophobicContact CG-CZ 4.35Å; F361-F372 WeakPolarHBondContact CA-O 3.34Å; I362-F372 HydrophobicContact CB-CB 4.01Å; I362-F372 HydrophobicContact CB-CD2 3.95Å; I362-F372 HydrophobicContact CB-CG 4.45Å; I362-F372 HydrophobicContact CD1-CB 4.17Å; I362-F372 HydrophobicContact CD1-CD2 4.06Å; I362-F372 HydrophobicContact CD1-CG 4.3Å; I362-F372 HydrophobicContact CG1-CB 4.22Å; I362-F372 HydrophobicContact CG2-CD2 4.24Å; I362-F372 PolarHBondContact N-O 2.88Å; I362-F372 PolarHBondContact O-N 3.04Å; I370-F372 WeakPolarHBondContact CG2-O 3.32Å
373C97.4Very high93.6Very high0 Ų021.9 Ų21.90%012%0.122CC..EExtended strand (participates in β ladder)trans-127134.8171.1-178.10000108.1F29 F30 F361F29-C373 WeakPolarHBondContact CA-O 3.3Å; F30-C373 HydrophobicContact CE1-CB 3.96Å; F30-C373 HydrophobicContact CE2-CB 4.1Å; F30-C373 HydrophobicContact CZ-CB 3.71Å; F30-C373 PolarHBondContact N-O 3.3Å; F30-C373 PolarHBondContact O-N 3.11Å; F361-C373 HydrophobicContact CD1-CB 4.11Å; F361-C373 HydrophobicContact CE1-CB 4.15Å; F361-C373 WeakPolarHBondContact CE1-SG 3.42Å
374G95.7Very high93.4Very high0 Ų022.6 Ų22.60%013%0.127CC..EExtended strand (participates in β ladder)trans-147161.5178.200000113.6L28 L359 F360L28-G374 CarbonylContact O-C 3.57Å; L28-G374 WeakPolarHBondContact O-CA 3.22Å; L359-G374 WeakPolarHBondContact CA-O 3.35Å; F360-G374 PolarHBondContact N-O 3.27Å; F360-G374 PolarHBondContact O-N 3.19Å
375R96Very high93.4Very high0 Ų023.8 Ų23.80%013%0.134CC..EExtended strand (participates in β ladder)trans-132.4125.7172.9-177.7176.969.6-174.9-5.4107.8C20 N23 S24 Q26 N27 L28 L243 E247 L359 C377C20-R375 PolarHBondContact SG-NH1 3.47Å; C20-R375 VanDerWaalsContact SG-NH1 3.38Å; N23-R375 PolarHBondContact O-NH2 2.85Å; S24-R375 PolarHBondContact O-NH1 3.46Å; Q26-R375 VanDerWaalsContact O-CZ 3.31Å; Q26-R375 PolarHBondContact O-NE 3.31Å; Q26-R375 PolarHBondContact O-NH2 3.24Å; N27-R375 VanDerWaalsContact CA-O 3.29Å; N27-R375 WeakPolarHBondContact CA-O 3.44Å; L28-R375 HydrophobicContact CB-CB 4.07Å; L28-R375 HydrophobicContact CG-CB 4.48Å; L28-R375 PolarHBondContact N-O 3.07Å; L28-R375 PolarHBondContact O-N 3.35Å; L243-R375 HydrophobicContact CD1-CG 3.6Å; E247-R375 WeakPolarHBondContact OE1-CD 3.2Å; E247-R375 IonicContact OE1-CZ 3.2Å; E247-R375 IonicContact OE1-NE 2.7Å; E247-R375 IonicContact OE1-NH1 2.87Å; E247-R375 PolarHBondContact OE1-NH1 3.4Å; E247-R375 IonicContact OE2-NH1 2.58Å; L359-R375 HydrophobicContact CD2-CB 3.78Å; L359-R375 HydrophobicContact CD2-CG 3.87Å; R375-C377 VanDerWaalsContact CD-SG 3.53Å; R375-C377 VanDerWaalsContact CG-SG 3.55Å; R375-C377 PolarHBondContact NE-SG 2.82Å; R375-C377 VanDerWaalsContact NE-SG 3.39Å
376F96.6Very high93.5Very high1 Ų123.4 Ų23.40%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-108.6107.8176.1-172.5-102.7000108.7F185 P274 F276 L278 P357 F358 F360 S378 P379F185-F376 HydrophobicContact CD2-CE1 4.04Å; F185-F376 HydrophobicContact CE1-CD1 4.33Å; F185-F376 HydrophobicContact CE1-CE1 4.21Å; F185-F376 AromaticContact CE2-CD1 3.67Å; F185-F376 HydrophobicContact CE2-CD1 3.67Å; F185-F376 AromaticContact CE2-CE1 3.52Å; F185-F376 HydrophobicContact CE2-CE1 3.52Å; F185-F376 AromaticContact CZ-CD1 3.48Å; F185-F376 HydrophobicContact CZ-CD1 3.48Å; F185-F376 VanDerWaalsContact CZ-CD1 3.48Å; F185-F376 AromaticContact CZ-CE1 3.6Å; F185-F376 HydrophobicContact CZ-CE1 3.6Å; P274-F376 HydrophobicContact CB-CE1 4.11Å; P274-F376 HydrophobicContact CB-CZ 4.44Å; P274-F376 HydrophobicContact CG-CD1 4.13Å; P274-F376 HydrophobicContact CG-CE1 3.75Å; P274-F376 HydrophobicContact CG-CZ 4.42Å; F276-F376 HydrophobicContact CB-CD2 4.15Å; F276-F376 HydrophobicContact CB-CE2 3.4Å; F276-F376 VanDerWaalsContact CB-CE2 3.4Å; F276-F376 HydrophobicContact CB-CZ 3.83Å; F276-F376 HydrophobicContact CD1-CD2 4.15Å; F276-F376 HydrophobicContact CD1-CE2 4.07Å; F276-F376 HydrophobicContact CD1-CZ 4.32Å; F276-F376 HydrophobicContact CD2-CD2 4.12Å; F276-F376 HydrophobicContact CD2-CE2 4.21Å; F276-F376 AromaticContact CG-CD2 3.89Å; F276-F376 HydrophobicContact CG-CD2 3.89Å; F276-F376 AromaticContact CG-CE2 3.65Å; F276-F376 HydrophobicContact CG-CE2 3.65Å; F276-F376 HydrophobicContact CG-CZ 4.23Å; L278-F376 HydrophobicContact CD1-CD2 4.41Å; L278-F376 HydrophobicContact CD2-CD2 4.16Å; L278-F376 HydrophobicContact CD2-CE2 4.41Å; P357-F376 WeakPolarHBondContact CA-O 3.39Å; F358-F376 HydrophobicContact CD1-CB 4.43Å; F358-F376 HydrophobicContact CD1-CD1 4.35Å; F358-F376 HydrophobicContact CD2-CB 4.2Å; F358-F376 HydrophobicContact CE1-CB 3.94Å; F358-F376 AromaticContact CE1-CD1 3.49Å; F358-F376 HydrophobicContact CE1-CD1 3.49Å; F358-F376 VanDerWaalsContact CE1-CD1 3.49Å; F358-F376 HydrophobicContact CE1-CE1 4.39Å; F358-F376 HydrophobicContact CE1-CG 4.06Å; F358-F376 HydrophobicContact CE2-CB 3.69Å; F358-F376 HydrophobicContact CE2-CG 4.42Å; F358-F376 HydrophobicContact CZ-CB 3.54Å; F358-F376 AromaticContact CZ-CD1 3.67Å; F358-F376 HydrophobicContact CZ-CD1 3.67Å; F358-F376 AromaticContact CZ-CG 3.8Å; F358-F376 HydrophobicContact CZ-CG 3.8Å; F358-F376 PolarHBondContact N-O 3.31Å; F358-F376 PolarHBondContact O-N 3.07Å; F360-F376 HydrophobicContact CE1-CB 4.47Å; F376-S378 WeakPolarHBondContact CE2-O 3.27Å; F376-P379 HydrophobicContact CZ-CB 4.08Å
377C95.1Very high93.6Very high3 Ų314 Ų142%0.029%0.093CC..  trans-107.5-27.2-179.2-69.10000113.3T25 N27 F185 T241 R375T25-C377 VanDerWaalsContact O-CB 3.28Å; T25-C377 WeakPolarHBondContact O-CB 3.39Å; N27-C377 PolarHBondContact OD1-N 3.2Å; F185-C377 WeakPolarHBondContact CE1-O 3.31Å; T241-C377 HydrophobicContact CG2-CB 4.33Å; T241-C377 VanDerWaalsContact CG2-SG 3.57Å; R375-C377 VanDerWaalsContact CD-SG 3.53Å; R375-C377 VanDerWaalsContact CG-SG 3.55Å; R375-C377 PolarHBondContact NE-SG 2.82Å; R375-C377 VanDerWaalsContact NE-SG 3.39Å
378S92.1Very high94.1Very high22 Ų2213.9 Ų13.915%0.1549%0.093CC..  trans-150.8140.9179.3177.50000110.4N27 K193 F376N27-S378 PolarHBondContact ND2-O 3.47Å; N27-S378 PolarHBondContact OD1-N 3.18Å; N27-S378 VanDerWaalsContact OD1-N 3.07Å; N27-S378 PolarHBondContact OD1-O 3.41Å; K193-S378 PolarHBondContact NZ-OG 2.91Å; K193-S378 VanDerWaalsContact NZ-OG 3.07Å; F376-S378 WeakPolarHBondContact CE2-O 3.27Å
379P89.2Confident94.4Very high82 Ų829.9 Ų9.953%0.5327%0.065SC..  trans-65.40164.831.6-36.4000112.2K193 V195 F376K193-P379 HydrophobicContact CB-CG 3.84Å; K193-P379 HydrophobicContact CD-CG 4.43Å; V195-P379 HydrophobicContact CB-CB 4.17Å; V195-P379 HydrophobicContact CB-CG 4.34Å; V195-P379 HydrophobicContact CG2-CB 4.32Å; F376-P379 HydrophobicContact CZ-CB 4.08Å

Retrieved 379 of 379 residues in 314.9 ms (Link to these results)

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