A0A077ZGT3_TRITR Loading...

Tyrosinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 752 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
1M57.5Low82.6Confident206 Ų20676.4 Ų76.4100%1.01538%0.376SS*.  0-78.80-153.6178.9-73.200112.4V3 H4 T5M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.15Å; M1-H4 WeakPolarHBondContact O-CB 3.15Å; M1-H4 PolarHBondContact O-N 3.16Å; M1-T5 PolarHBondContact O-N 2.92Å
2K82.4Confident82.6Confident162 Ų16287 Ų8770%0.70441%0.409SS*.Hα-helixtrans-51.1-42.1-170.9-64.8-177.4-179.5176.50116.4H4 T5 C6 L34K2-H4 VanDerWaalsContact C-N 3.31Å; K2-H4 PolarHBondContact O-N 2.97Å; K2-T5 PolarHBondContact O-N 2.64Å; K2-C6 PolarHBondContact O-N 3.15Å; K2-L34 HydrophobicContact CB-CD1 3.9Å; K2-L34 HydrophobicContact CB-CD2 4.28Å
3V81.9Confident82.4Confident51 Ų5183.5 Ų83.531%0.30940%0.404SS..Hα-helixtrans-60.9-39.6177.1178.70000111.6M1 C6 L7 I27 C30 Q31 L34M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.15Å; V3-C6 PolarHBondContact O-N 2.94Å; V3-L7 WeakPolarHBondContact O-CB 3.19Å; V3-L7 PolarHBondContact O-N 3.35Å; V3-I27 HydrophobicContact CG1-CG2 4.2Å; V3-C30 HydrophobicContact CG1-CB 4.23Å; V3-Q31 HydrophobicContact CG1-CG 4.48Å; V3-Q31 HydrophobicContact CG2-CG 4.37Å; V3-L34 HydrophobicContact CB-CD1 4.31Å; V3-L34 HydrophobicContact CG2-CD1 3.71Å
4H81.9Confident81.7Confident112 Ų11278.3 Ų78.352%0.51938%0.38SS..Hα-helixtrans-67.9-40178.3-171.789.4000111.5M1 K2 L7 Q8M1-H4 WeakPolarHBondContact O-CB 3.15Å; M1-H4 PolarHBondContact O-N 3.16Å; K2-H4 VanDerWaalsContact C-N 3.31Å; K2-H4 PolarHBondContact O-N 2.97Å; H4-L7 PolarHBondContact O-N 3.25Å; H4-Q8 PolarHBondContact CE1-NE2 3.33Å; H4-Q8 PolarHBondContact NE2-NE2 3.44Å; H4-Q8 VanDerWaalsContact NE2-NE2 3.16Å; H4-Q8 WeakPolarHBondContact O-CG 3.42Å; H4-Q8 PolarHBondContact O-N 3.15Å
5T87.3Confident81.1Confident70 Ų7077.9 Ų77.943%0.42939%0.388SS..Hα-helixtrans-58.8-50.5173.8-480000111.1M1 K2 L7 Q8 E9M1-T5 PolarHBondContact O-N 2.92Å; K2-T5 PolarHBondContact O-N 2.64Å; T5-L7 VanDerWaalsContact C-N 3.29Å; T5-L7 PolarHBondContact O-N 2.78Å; T5-Q8 PolarHBondContact O-N 2.82Å; T5-E9 WeakPolarHBondContact O-CG 3.43Å; T5-E9 PolarHBondContact O-N 3.4Å
6C88.2Confident81Confident8 Ų876.6 Ų76.65%0.05438%0.381CS..Hα-helixtrans-58.7-39.7175.6172.30000112.4K2 V3 E9 T10 C30K2-C6 PolarHBondContact O-N 3.15Å; V3-C6 PolarHBondContact O-N 2.94Å; C6-E9 PolarHBondContact O-N 3.41Å; C6-T10 VanDerWaalsContact O-CB 3.28Å; C6-T10 WeakPolarHBondContact O-CB 3.24Å; C6-T10 PolarHBondContact O-N 2.03Å; C6-T10 PolarHBondContact O-OG1 2.83Å; C6-C30 HydrophobicContact CB-CB 3.72Å; C6-C30 WeakPolarHBondContact CB-SG 3.04Å; C6-C30 PolarHBondContact O-SG 3.45Å; C6-C30 WeakPolarHBondContact SG-CA 3.04Å; C6-C30 WeakPolarHBondContact SG-CB 3.22Å; C6-C30 CovalentContact SG-SG 2.04Å; C6-C30 PolarHBondContact SG-SG 3.22Å
7L88.1Confident80.7Confident6 Ų672.1 Ų72.13%0.03136%0.358CS..Hα-helixtrans-63.2-44.6177.5178.564.4000111.2V3 H4 T5 T10 I11 Q23 L26 I27 C30V3-L7 WeakPolarHBondContact O-CB 3.19Å; V3-L7 PolarHBondContact O-N 3.35Å; H4-L7 PolarHBondContact O-N 3.25Å; T5-L7 VanDerWaalsContact C-N 3.29Å; T5-L7 PolarHBondContact O-N 2.78Å; L7-T10 PolarHBondContact O-N 3.19Å; L7-I11 HydrophobicContact CD1-CD1 3.95Å; L7-I11 HydrophobicContact CD1-CG1 4.35Å; L7-I11 HydrophobicContact CG-CD1 3.89Å; L7-I11 VanDerWaalsContact O-CB 3.28Å; L7-I11 WeakPolarHBondContact O-CB 3.36Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.47Å; L7-I11 PolarHBondContact O-N 2.96Å; L7-Q23 HydrophobicContact CD2-CG 4.11Å; L7-L26 HydrophobicContact CD1-CB 3.5Å; L7-L26 VanDerWaalsContact CD1-CB 3.5Å; L7-L26 HydrophobicContact CD1-CD1 4.29Å; L7-I27 HydrophobicContact CD1-CG1 4.35Å; L7-I27 HydrophobicContact CD2-CD1 4.33Å; L7-I27 HydrophobicContact CD2-CG1 3.92Å; L7-C30 PolarHBondContact N-SG 3.24Å; L7-C30 VanDerWaalsContact N-SG 3.39Å
8Q86Confident80.4Confident67 Ų6773.7 Ų73.731%0.31337%0.365SS..Hα-helixtrans-64.6-40.8176.5-66.2-65.9-16.400112.2H4 T5 R12H4-Q8 PolarHBondContact CE1-NE2 3.33Å; H4-Q8 PolarHBondContact NE2-NE2 3.44Å; H4-Q8 VanDerWaalsContact NE2-NE2 3.16Å; H4-Q8 WeakPolarHBondContact O-CG 3.42Å; H4-Q8 PolarHBondContact O-N 3.15Å; T5-Q8 PolarHBondContact O-N 2.82Å; Q8-R12 WeakPolarHBondContact O-CB 3.5Å; Q8-R12 WeakPolarHBondContact O-CD 3.47Å; Q8-R12 WeakPolarHBondContact O-CG 3.38Å; Q8-R12 PolarHBondContact O-N 3.37Å
9E85.4Confident80.6Confident114 Ų11479.2 Ų79.253%0.53339%0.386SS..Hα-helixtrans-61.9-48.5173.8-70.9166.4175.900111.3T5 C6 I11 R12 A13T5-E9 WeakPolarHBondContact O-CG 3.43Å; T5-E9 PolarHBondContact O-N 3.4Å; C6-E9 PolarHBondContact O-N 3.41Å; E9-I11 VanDerWaalsContact C-N 3.33Å; E9-I11 PolarHBondContact O-N 3.44Å; E9-R12 PolarHBondContact O-N 2.81Å; E9-A13 WeakPolarHBondContact O-CB 3.02Å; E9-A13 PolarHBondContact O-N 3.22Å
10T85.5Confident81.2Confident5 Ų576.4 Ų76.43%0.03137%0.371CS..Hα-helixtrans-62.5-38.9179.3-56.60000112C6 L7 L26 Y29 P260 L264C6-T10 VanDerWaalsContact O-CB 3.28Å; C6-T10 WeakPolarHBondContact O-CB 3.24Å; C6-T10 PolarHBondContact O-N 2.03Å; C6-T10 PolarHBondContact O-OG1 2.83Å; L7-T10 PolarHBondContact O-N 3.19Å; T10-L26 HydrophobicContact CG2-CD2 4.01Å; T10-Y29 HydrophobicContact CG2-CD1 4.4Å; T10-Y29 HydrophobicContact CG2-CE1 4.41Å; T10-P260 HydrophobicContact CG2-CG 3.94Å; T10-L264 HydrophobicContact CG2-CD1 4.14Å
11I84.7Confident81.6Confident39 Ų3973.3 Ų73.320%0.236%0.356CS..Hα-helixtrans-64.7-43.7174.5-82.1170.9000111.6L7 E9 Q18 L26L7-I11 HydrophobicContact CD1-CD1 3.95Å; L7-I11 HydrophobicContact CD1-CG1 4.35Å; L7-I11 HydrophobicContact CG-CD1 3.89Å; L7-I11 VanDerWaalsContact O-CB 3.28Å; L7-I11 WeakPolarHBondContact O-CB 3.36Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.47Å; L7-I11 PolarHBondContact O-N 2.96Å; E9-I11 VanDerWaalsContact C-N 3.33Å; E9-I11 PolarHBondContact O-N 3.44Å; I11-Q18 HydrophobicContact CG1-CG 4.18Å; I11-Q18 HydrophobicContact CG2-CG 4.45Å; I11-Q18 VanDerWaalsContact CG2-NE2 3.34Å; I11-L26 HydrophobicContact CG1-CD1 4.17Å
12R82.1Confident83Confident204 Ų20466 Ų6677%0.7733%0.325SS*.Hα-helixtrans-72.6-32.6-179.6-71.9168.9-174.7-170.4-0.3112.8Q8 E9 T14Q8-R12 WeakPolarHBondContact O-CB 3.5Å; Q8-R12 WeakPolarHBondContact O-CD 3.47Å; Q8-R12 WeakPolarHBondContact O-CG 3.38Å; Q8-R12 PolarHBondContact O-N 3.37Å; E9-R12 PolarHBondContact O-N 2.81Å; R12-T14 VanDerWaalsContact C-N 3.3Å; R12-T14 PolarHBondContact O-N 2.96Å
13A81Confident83.2Confident42 Ų4264.3 Ų64.335%0.34732%0.32SS..Hα-helixtrans-59.1-39-179.900000112.4E9 V258 P260E9-A13 WeakPolarHBondContact O-CB 3.02Å; E9-A13 PolarHBondContact O-N 3.22Å; A13-V258 WeakPolarHBondContact CB-O 3.3Å; A13-P260 HydrophobicContact CB-CG 4.47Å
14T72.6Confident83.4Confident10 Ų1066 Ų666%0.06133%0.327CS..  trans-157.6130.1179.9-179.40000114.6R12 Q16 S17 D259R12-T14 VanDerWaalsContact C-N 3.3Å; R12-T14 PolarHBondContact O-N 2.96Å; T14-Q16 PolarHBondContact O-N 3.32Å; T14-Q16 WeakPolarHBondContact OG1-CB 3.48Å; T14-Q16 PolarHBondContact OG1-N 3.16Å; T14-Q16 VanDerWaalsContact OG1-N 3.13Å; T14-S17 WeakPolarHBondContact CG2-OG 3.03Å; T14-D259 VanDerWaalsContact CB-CG 3.49Å; T14-D259 WeakPolarHBondContact CB-OD1 3.09Å; T14-D259 VanDerWaalsContact CB-OD2 3.28Å; T14-D259 WeakPolarHBondContact CB-OD2 2.99Å; T14-D259 WeakPolarHBondContact CG2-OD1 3Å; T14-D259 PolarHBondContact OG1-OD2 2.68Å; T14-D259 VanDerWaalsContact OG1-OD2 3.11Å
15S72.6Confident83.8Confident73 Ų7361.8 Ų61.851%0.5131%0.308SS..Hα-helixtrans-69-18.617066.30000112.8K19S15-K19 WeakPolarHBondContact O-CG 3.5Å; S15-K19 PolarHBondContact O-N 3.38Å
16Q79.5Confident83.9Confident57 Ų5758.7 Ų58.727%0.26629%0.288SS..Hα-helixtrans-70.6-42.1178.2-63.9175.2-4500110.8T14 Q18 K19 R20 T244 F261T14-Q16 PolarHBondContact O-N 3.32Å; T14-Q16 WeakPolarHBondContact OG1-CB 3.48Å; T14-Q16 PolarHBondContact OG1-N 3.16Å; T14-Q16 VanDerWaalsContact OG1-N 3.13Å; Q16-Q18 VanDerWaalsContact C-N 3.32Å; Q16-Q18 PolarHBondContact O-N 3.3Å; Q16-K19 PolarHBondContact O-N 2.88Å; Q16-K19 VanDerWaalsContact O-N 3.16Å; Q16-R20 WeakPolarHBondContact O-CB 3.17Å; Q16-R20 PolarHBondContact O-N 3.4Å; Q16-T244 HydrophobicContact CB-CG2 4.43Å; Q16-T244 HydrophobicContact CG-CG2 4.44Å; Q16-F261 HydrophobicContact CB-CD2 4.11Å; Q16-F261 HydrophobicContact CB-CE2 4.27Å
17S75.6Confident84Confident0 Ų060.4 Ų60.40%030%0.297CS..Hα-helixtrans-63.3-36.4175.7-67.10000112.6T14 K19 R20 F21 L264T14-S17 WeakPolarHBondContact CG2-OG 3.03Å; S17-K19 VanDerWaalsContact C-N 3.32Å; S17-K19 PolarHBondContact O-N 3.43Å; S17-R20 PolarHBondContact O-N 2.68Å; S17-F21 WeakPolarHBondContact O-CB 3.35Å; S17-F21 WeakPolarHBondContact O-CD2 3.45Å; S17-F21 PolarHBondContact O-N 3.12Å; S17-L264 VanDerWaalsContact OG-CD1 3.29Å; S17-L264 WeakPolarHBondContact OG-CD1 3.36Å
18Q74.5Confident84.1Confident101 Ų10161.3 Ų61.347%0.47230%0.3SS..Hα-helixtrans-65.7-33.2175.1-63.3-166.4-7300113.3I11 Q16I11-Q18 HydrophobicContact CG1-CG 4.18Å; I11-Q18 HydrophobicContact CG2-CG 4.45Å; I11-Q18 VanDerWaalsContact CG2-NE2 3.34Å; Q16-Q18 VanDerWaalsContact C-N 3.32Å; Q16-Q18 PolarHBondContact O-N 3.3Å
19K85.2Confident84.3Confident177 Ų17758.7 Ų58.777%0.7729%0.288SS*.Hα-helixtrans-75.6-30.3175.9-70173.3-179.21800112.3S15 Q16 S17S15-K19 WeakPolarHBondContact O-CG 3.5Å; S15-K19 PolarHBondContact O-N 3.38Å; Q16-K19 PolarHBondContact O-N 2.88Å; Q16-K19 VanDerWaalsContact O-N 3.16Å; S17-K19 VanDerWaalsContact C-N 3.32Å; S17-K19 PolarHBondContact O-N 3.43Å
20R91.2Very high84.6Confident24 Ų2453.3 Ų53.39%0.09126%0.262CS..Hα-helixtrans-92-30.6-174.5178.354.6177.877.94.9114.6Q16 S17 S235 L236 D241 F261Q16-R20 WeakPolarHBondContact O-CB 3.17Å; Q16-R20 PolarHBondContact O-N 3.4Å; S17-R20 PolarHBondContact O-N 2.68Å; R20-S235 PolarHBondContact NH1-OG 3.25Å; R20-S235 PolarHBondContact NH2-OG 2.84Å; R20-S235 VanDerWaalsContact NH2-OG 3.16Å; R20-L236 PolarHBondContact NH2-O 2.87Å; R20-D241 WeakPolarHBondContact CD-OD1 3.35Å; R20-D241 IonicContact CZ-OD1 2.69Å; R20-D241 IonicContact CZ-OD2 3.88Å; R20-D241 VanDerWaalsContact CZ-OD2 3.28Å; R20-D241 VanDerWaalsContact NE-CG 3.26Å; R20-D241 IonicContact NE-OD1 3.39Å; R20-D241 PolarHBondContact NE-OD1 2.83Å; R20-D241 IonicContact NE-OD2 2.98Å; R20-D241 PolarHBondContact NE-OD2 3.13Å; R20-D241 IonicContact NH2-OD2 3.54Å; R20-D241 PolarHBondContact NH2-OD2 3.31Å; R20-F261 HydrophobicContact CB-CE2 3.9Å; R20-F261 HydrophobicContact CG-CE2 3.99Å; R20-F261 HydrophobicContact CG-CZ 4.38Å
21F89.5Confident84.9Confident11 Ų1154.8 Ų54.85%0.04827%0.269CS..SBendtrans-123.4137.6-171.7-61.8-73.7000112.1S17 Q25 L26 F261 L264 V265S17-F21 WeakPolarHBondContact O-CB 3.35Å; S17-F21 WeakPolarHBondContact O-CD2 3.45Å; S17-F21 PolarHBondContact O-N 3.12Å; F21-Q25 HydrophobicContact CB-CB 4.03Å; F21-Q25 HydrophobicContact CD1-CB 4.16Å; F21-L26 HydrophobicContact CB-CD2 3.78Å; F21-L26 HydrophobicContact CB-CG 4.04Å; F21-L26 HydrophobicContact CD2-CD2 4.29Å; F21-L26 HydrophobicContact CG-CD2 4.28Å; F21-F261 HydrophobicContact CE2-CD2 4.42Å; F21-F261 HydrophobicContact CE2-CE2 4.42Å; F21-L264 HydrophobicContact CD2-CB 4.31Å; F21-L264 HydrophobicContact CD2-CD1 4.35Å; F21-L264 HydrophobicContact CE2-CB 3.59Å; F21-L264 HydrophobicContact CE2-CD1 4.31Å; F21-L264 HydrophobicContact CE2-CG 4.42Å; F21-L264 HydrophobicContact CZ-CB 3.77Å; F21-V265 HydrophobicContact CE2-CG1 4.11Å; F21-V265 HydrophobicContact CZ-CB 4.34Å; F21-V265 HydrophobicContact CZ-CG1 3.57Å
22S88Confident85.1Confident53 Ų5354.3 Ų54.337%0.37127%0.265SS..  trans-62.7153.916864.70000111.1N24 Q25 L26S22-N24 PolarHBondContact O-N 3.06Å; S22-N24 VanDerWaalsContact O-N 3.12Å; S22-Q25 WeakPolarHBondContact O-CB 3.36Å; S22-Q25 PolarHBondContact O-N 3.04Å; S22-Q25 WeakPolarHBondContact OG-CG 3.43Å; S22-Q25 PolarHBondContact OG-N 2.86Å; S22-Q25 PolarHBondContact OG-OE1 3.14Å; S22-L26 PolarHBondContact O-N 3.37Å; S22-L26 VanDerWaalsContact O-N 3.12Å
23Q87.3Confident85.4Confident126 Ų12647 Ų4759%0.58924%0.238SC*.Hα-helixtrans-54.5-33173.3-175.7176.7-16.200112.1L7 L26 I27L7-Q23 HydrophobicContact CD2-CG 4.11Å; Q23-L26 PolarHBondContact O-N 2.84Å; Q23-I27 HydrophobicContact CG-CD1 4.06Å; Q23-I27 WeakPolarHBondContact O-CB 3.37Å; Q23-I27 VanDerWaalsContact O-CG1 3.24Å; Q23-I27 WeakPolarHBondContact O-CG1 3.2Å; Q23-I27 PolarHBondContact O-N 3.17Å
24N85.9Confident85.8Confident86 Ų8646.4 Ų46.446%0.4623%0.23SC..Hα-helixtrans-61.1-47.9173.6-80-8.2000112.3S22 L26 I27 K28 Y233S22-N24 PolarHBondContact O-N 3.06Å; S22-N24 VanDerWaalsContact O-N 3.12Å; N24-L26 PolarHBondContact O-N 3.35Å; N24-I27 WeakPolarHBondContact O-CB 3.35Å; N24-I27 PolarHBondContact O-N 2.04Å; N24-K28 PolarHBondContact O-N 3.2Å; N24-Y233 VanDerWaalsContact C-CE1 3.48Å; N24-Y233 HydrophobicContact CB-CE1 3.64Å; N24-Y233 WeakPolarHBondContact O-CD1 3.44Å; N24-Y233 WeakPolarHBondContact O-CE1 3.41Å
25Q88.9Confident86.4Confident25 Ų2548.1 Ų48.112%0.11724%0.237CC..Hα-helixtrans-59.7-44.6175.7-77.5165-5700111.9F21 S22 I27 K28 Y29F21-Q25 HydrophobicContact CB-CB 4.03Å; F21-Q25 HydrophobicContact CD1-CB 4.16Å; S22-Q25 WeakPolarHBondContact O-CB 3.36Å; S22-Q25 PolarHBondContact O-N 3.04Å; S22-Q25 WeakPolarHBondContact OG-CG 3.43Å; S22-Q25 PolarHBondContact OG-N 2.86Å; S22-Q25 PolarHBondContact OG-OE1 3.14Å; Q25-I27 VanDerWaalsContact C-N 3.34Å; Q25-I27 PolarHBondContact O-N 3.38Å; Q25-K28 PolarHBondContact O-N 3.22Å; Q25-Y29 PolarHBondContact O-N 3.48Å
26L90.7Very high87.1Confident4 Ų445 Ų452%0.02121%0.214CC..Hα-helixtrans-64-37.2176.6-59.7-178.5000112.4L7 T10 I11 F21 S22 Q23 N24 C30 L264L7-L26 HydrophobicContact CD1-CB 3.5Å; L7-L26 VanDerWaalsContact CD1-CB 3.5Å; L7-L26 HydrophobicContact CD1-CD1 4.29Å; T10-L26 HydrophobicContact CG2-CD2 4.01Å; I11-L26 HydrophobicContact CG1-CD1 4.17Å; F21-L26 HydrophobicContact CB-CD2 3.78Å; F21-L26 HydrophobicContact CB-CG 4.04Å; F21-L26 HydrophobicContact CD2-CD2 4.29Å; F21-L26 HydrophobicContact CG-CD2 4.28Å; S22-L26 PolarHBondContact O-N 3.37Å; S22-L26 VanDerWaalsContact O-N 3.12Å; Q23-L26 PolarHBondContact O-N 2.84Å; N24-L26 PolarHBondContact O-N 3.35Å; L26-C30 WeakPolarHBondContact O-CB 3.25Å; L26-C30 PolarHBondContact O-N 3.11Å; L26-L264 HydrophobicContact CD2-CD1 3.96Å; L26-L264 HydrophobicContact CD2-CD2 3.96Å
27I89.4Confident87.3Confident45 Ų4549.9 Ų49.923%0.23123%0.23CC..Hα-helixtrans-61.6-45.1172.6-74.1164.8000111V3 L7 Q23 N24 Q25 C30 Q31V3-I27 HydrophobicContact CG1-CG2 4.2Å; L7-I27 HydrophobicContact CD1-CG1 4.35Å; L7-I27 HydrophobicContact CD2-CD1 4.33Å; L7-I27 HydrophobicContact CD2-CG1 3.92Å; Q23-I27 HydrophobicContact CG-CD1 4.06Å; Q23-I27 WeakPolarHBondContact O-CB 3.37Å; Q23-I27 VanDerWaalsContact O-CG1 3.24Å; Q23-I27 WeakPolarHBondContact O-CG1 3.2Å; Q23-I27 PolarHBondContact O-N 3.17Å; N24-I27 WeakPolarHBondContact O-CB 3.35Å; N24-I27 PolarHBondContact O-N 2.04Å; Q25-I27 VanDerWaalsContact C-N 3.34Å; Q25-I27 PolarHBondContact O-N 3.38Å; I27-C30 PolarHBondContact O-N 3.03Å; I27-Q31 WeakPolarHBondContact O-CG 3.48Å; I27-Q31 PolarHBondContact O-N 2.7Å
28K89.7Confident87.7Confident25 Ų2556.6 Ų56.611%0.10926%0.255CS..Hα-helixtrans-69-36.5-179.7-169.861.4173.2-178.50112.6N24 Q25 C30 Q31 R32 Y233 L271 V473 I474N24-K28 PolarHBondContact O-N 3.2Å; Q25-K28 PolarHBondContact O-N 3.22Å; K28-C30 VanDerWaalsContact C-N 3.34Å; K28-Q31 HydrophobicContact CD-CB 4.49Å; K28-Q31 PolarHBondContact O-N 2.91Å; K28-R32 WeakPolarHBondContact O-CG 3.49Å; K28-R32 PolarHBondContact O-N 3.19Å; K28-Y233 HydrophobicContact CB-CD1 3.34Å; K28-Y233 HydrophobicContact CB-CE1 4.08Å; K28-Y233 HydrophobicContact CB-CG 4.04Å; K28-Y233 HydrophobicContact CG-CD1 3.9Å; K28-Y233 HydrophobicContact CG-CG 4.1Å; K28-L271 HydrophobicContact CG-CD1 4.32Å; K28-L271 HydrophobicContact CG-CD2 4.24Å; K28-V473 PolarHBondContact NZ-O 2.87Å; K28-I474 WeakPolarHBondContact CE-O 3.28Å; K28-I474 PolarHBondContact NZ-O 3.1Å
29Y90.6Very high87.9Confident12 Ų1255.1 Ų55.15%0.04725%0.248CC..Hα-helixtrans-56.9-48.3168.3168-95.2000111.3T10 Q25 Q31 R32 K33 F144 T256 P260 L264T10-Y29 HydrophobicContact CG2-CD1 4.4Å; T10-Y29 HydrophobicContact CG2-CE1 4.41Å; Q25-Y29 PolarHBondContact O-N 3.48Å; Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 PolarHBondContact O-N 2.87Å; Y29-R32 PolarHBondContact O-N 2.87Å; Y29-K33 HydrophobicContact CE1-CD 4.08Å; Y29-K33 WeakPolarHBondContact O-CB 3.45Å; Y29-K33 PolarHBondContact O-N 3.27Å; Y29-F144 HydrophobicContact CD2-CE1 4.12Å; Y29-F144 AromaticContact CE2-CD1 3.85Å; Y29-F144 HydrophobicContact CE2-CD1 3.85Å; Y29-F144 AromaticContact CE2-CE1 3.73Å; Y29-F144 HydrophobicContact CE2-CE1 3.73Å; Y29-T256 WeakPolarHBondContact OH-CG2 3.38Å; Y29-T256 PolarHBondContact OH-OG1 3.41Å; Y29-P260 HydrophobicContact CE1-CB 4.33Å; Y29-P260 WeakPolarHBondContact OH-CB 3.2Å; Y29-L264 HydrophobicContact CD1-CD2 3.94Å; Y29-L264 HydrophobicContact CD2-CD2 3.5Å; Y29-L264 VanDerWaalsContact CD2-CD2 3.5Å; Y29-L264 HydrophobicContact CD2-CG 3.96Å; Y29-L264 HydrophobicContact CE2-CD2 4.18Å; Y29-L264 HydrophobicContact CE2-CG 4.14Å; Y29-L264 HydrophobicContact CG-CD2 3.36Å; Y29-L264 HydrophobicContact CG-CG 4.17Å
30C91.7Very high87.7Confident0 Ų047.6 Ų47.60%022%0.216CC..Hα-helixtrans-65.4-32.6177.6-81.60000114V3 C6 L7 L26 I27 K28 L34V3-C30 HydrophobicContact CG1-CB 4.23Å; C6-C30 HydrophobicContact CB-CB 3.72Å; C6-C30 WeakPolarHBondContact CB-SG 3.04Å; C6-C30 PolarHBondContact O-SG 3.45Å; C6-C30 WeakPolarHBondContact SG-CA 3.04Å; C6-C30 WeakPolarHBondContact SG-CB 3.22Å; C6-C30 CovalentContact SG-SG 2.04Å; C6-C30 PolarHBondContact SG-SG 3.22Å; L7-C30 PolarHBondContact N-SG 3.24Å; L7-C30 VanDerWaalsContact N-SG 3.39Å; L26-C30 WeakPolarHBondContact O-CB 3.25Å; L26-C30 PolarHBondContact O-N 3.11Å; I27-C30 PolarHBondContact O-N 3.03Å; K28-C30 VanDerWaalsContact C-N 3.34Å; C30-L34 WeakPolarHBondContact O-CB 3.41Å; C30-L34 WeakPolarHBondContact O-CD1 2.94Å; C30-L34 VanDerWaalsContact O-CG 3.24Å; C30-L34 WeakPolarHBondContact O-CG 3.2Å; C30-L34 PolarHBondContact O-N 2.9Å; C30-L34 VanDerWaalsContact O-N 3.12Å
31Q91.1Very high87.1Confident37 Ų3752.2 Ų52.217%0.17324%0.241CC..Hα-helixtrans-62.1-53.2170.1-73.8170.9-30.100110.6V3 I27 K28 Y29 K33 L34 E35V3-Q31 HydrophobicContact CG1-CG 4.48Å; V3-Q31 HydrophobicContact CG2-CG 4.37Å; I27-Q31 WeakPolarHBondContact O-CG 3.48Å; I27-Q31 PolarHBondContact O-N 2.7Å; K28-Q31 HydrophobicContact CD-CB 4.49Å; K28-Q31 PolarHBondContact O-N 2.91Å; Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 PolarHBondContact O-N 2.87Å; Q31-K33 PolarHBondContact O-N 3.37Å; Q31-L34 CarbonylContact O-C 3.59Å; Q31-L34 PolarHBondContact O-N 3.04Å; Q31-E35 WeakPolarHBondContact O-CG 3.44Å; Q31-E35 PolarHBondContact O-N 3.18Å
32R90.2Very high86.2Confident29 Ų2954 Ų5411%0.10926%0.255CS..Hα-helixtrans-57.1-44177.6-67.9176.873.9-177.85.9112.4K28 Y29 L34 E35 W36 F144 G267 T270K28-R32 WeakPolarHBondContact O-CG 3.49Å; K28-R32 PolarHBondContact O-N 3.19Å; Y29-R32 PolarHBondContact O-N 2.87Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 2.6Å; R32-E35 WeakPolarHBondContact CA-OE2 3.37Å; R32-E35 WeakPolarHBondContact O-CB 3.12Å; R32-E35 PolarHBondContact O-N 2.8Å; R32-W36 WeakPolarHBondContact O-CB 3.44Å; R32-W36 PolarHBondContact O-N 2.91Å; R32-F144 HydrophobicContact CB-CZ 3.95Å; R32-G267 PolarHBondContact NH1-O 2.98Å; R32-T270 PolarHBondContact NH1-OG1 2.91Å; R32-T270 VanDerWaalsContact NH1-OG1 3.14Å; R32-T270 PolarHBondContact NH2-OG1 3.35Å
33K89.2Confident84.7Confident49 Ų4959.8 Ų59.821%0.21327%0.269CS..Hα-helixtrans-60.7-36.4176.3-173.6169.8-177.8178.90112.5Y29 Q31 R37 F144 T256Y29-K33 HydrophobicContact CE1-CD 4.08Å; Y29-K33 WeakPolarHBondContact O-CB 3.45Å; Y29-K33 PolarHBondContact O-N 3.27Å; Q31-K33 PolarHBondContact O-N 3.37Å; K33-R37 WeakPolarHBondContact O-CB 3.39Å; K33-R37 PolarHBondContact O-N 3.49Å; K33-R37 VanDerWaalsContact O-N 3.13Å; K33-F144 HydrophobicContact CB-CD1 3.7Å; K33-F144 HydrophobicContact CB-CD2 4.44Å; K33-F144 HydrophobicContact CB-CE1 3.74Å; K33-F144 HydrophobicContact CB-CE2 4.49Å; K33-F144 HydrophobicContact CB-CG 4.07Å; K33-F144 HydrophobicContact CB-CZ 4.16Å; K33-F144 HydrophobicContact CD-CB 4.31Å; K33-F144 HydrophobicContact CD-CD1 4.04Å; K33-F144 HydrophobicContact CD-CG 4.35Å; K33-F144 HydrophobicContact CG-CB 4.01Å; K33-F144 HydrophobicContact CG-CD1 3.75Å; K33-F144 HydrophobicContact CG-CD2 4.38Å; K33-F144 HydrophobicContact CG-CE1 4.32Å; K33-F144 HydrophobicContact CG-CG 3.78Å; K33-T256 HydrophobicContact CD-CG2 4.39Å
34L88.4Confident82.5Confident31 Ų3158.3 Ų58.316%0.16227%0.273CS..Hα-helixtrans-84-21.9177.6-70.1170.3000113.6K2 V3 C30 Q31 R32 R38K2-L34 HydrophobicContact CB-CD1 3.9Å; K2-L34 HydrophobicContact CB-CD2 4.28Å; V3-L34 HydrophobicContact CB-CD1 4.31Å; V3-L34 HydrophobicContact CG2-CD1 3.71Å; C30-L34 WeakPolarHBondContact O-CB 3.41Å; C30-L34 WeakPolarHBondContact O-CD1 2.94Å; C30-L34 VanDerWaalsContact O-CG 3.24Å; C30-L34 WeakPolarHBondContact O-CG 3.2Å; C30-L34 PolarHBondContact O-N 2.9Å; C30-L34 VanDerWaalsContact O-N 3.12Å; Q31-L34 CarbonylContact O-C 3.59Å; Q31-L34 PolarHBondContact O-N 3.04Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 2.6Å; L34-R38 WeakPolarHBondContact O-CB 3.47Å; L34-R38 VanDerWaalsContact O-CG 3.26Å; L34-R38 WeakPolarHBondContact O-CG 3.19Å; L34-R38 PolarHBondContact O-N 3.43Å; L34-R38 PolarHBondContact O-NE 2.94Å
35E86.2Confident80.4Confident46 Ų4657.4 Ų57.422%0.21527%0.27CS..Hα-helixtrans-69.1-55.8168.4-74.9154.6-170.100109.7Q31 R32 R37 R38 E39Q31-E35 WeakPolarHBondContact O-CG 3.44Å; Q31-E35 PolarHBondContact O-N 3.18Å; R32-E35 WeakPolarHBondContact CA-OE2 3.37Å; R32-E35 WeakPolarHBondContact O-CB 3.12Å; R32-E35 PolarHBondContact O-N 2.8Å; E35-R37 VanDerWaalsContact C-N 3.32Å; E35-R37 PolarHBondContact O-N 2.96Å; E35-R38 WeakPolarHBondContact O-CA 3.29Å; E35-R38 WeakPolarHBondContact O-CB 3.16Å; E35-R38 PolarHBondContact O-N 2.93Å; E35-R38 IonicContact OE1-NH2 3.89Å; E35-E39 PolarHBondContact O-N 3.32Å
36W86.5Confident78Confident7 Ų762.9 Ų62.93%0.02731%0.305CS..Hα-helixtrans-52.7-48.3174.2-172.1-103.5000112.1R32 R38 E39 L40 S136 S142 L143 F144 A280R32-W36 WeakPolarHBondContact O-CB 3.44Å; R32-W36 PolarHBondContact O-N 2.91Å; W36-R38 VanDerWaalsContact C-N 3.26Å; W36-R38 PolarHBondContact O-N 3.25Å; W36-E39 PolarHBondContact O-N 3.33Å; W36-L40 VanDerWaalsContact O-CG 3.31Å; W36-L40 WeakPolarHBondContact O-CG 3.02Å; W36-L40 PolarHBondContact O-N 2.78Å; W36-S136 VanDerWaalsContact CH2-CA 3.47Å; W36-S142 VanDerWaalsContact CH2-OG 3.27Å; W36-S142 WeakPolarHBondContact CH2-OG 3.24Å; W36-S142 WeakPolarHBondContact CZ2-OG 3.03Å; W36-L143 HydrophobicContact CD2-CB 4.33Å; W36-L143 HydrophobicContact CD2-CD1 4.1Å; W36-L143 HydrophobicContact CE3-CD1 3.87Å; W36-L143 HydrophobicContact CH2-CD1 4.12Å; W36-L143 HydrophobicContact CH2-CG 4.47Å; W36-L143 HydrophobicContact CZ2-CB 4.3Å; W36-L143 HydrophobicContact CZ2-CD1 4.37Å; W36-L143 HydrophobicContact CZ2-CG 4.38Å; W36-L143 HydrophobicContact CZ3-CD1 3.87Å; W36-F144 HydrophobicContact CB-CD2 3.85Å; W36-F144 HydrophobicContact CB-CE2 3.6Å; W36-F144 AromaticContact CD1-CD2 3.71Å; W36-F144 AromaticContact CG-CD2 3.81Å; W36-F144 HydrophobicContact CG-CD2 3.81Å; W36-F144 AromaticContact CG-CE2 3.87Å; W36-F144 HydrophobicContact CG-CE2 3.87Å; W36-A280 HydrophobicContact CE3-CB 4.12Å; W36-A280 HydrophobicContact CZ3-CB 4.14Å
37R83.7Confident76.1Confident159 Ų15966.5 Ų66.560%0.633%0.325SS*.Hα-helixtrans-62.8-28.7176.5-172.1173.7-179.2176.33.9113.4K33 E35 I41K33-R37 WeakPolarHBondContact O-CB 3.39Å; K33-R37 PolarHBondContact O-N 3.49Å; K33-R37 VanDerWaalsContact O-N 3.13Å; E35-R37 VanDerWaalsContact C-N 3.32Å; E35-R37 PolarHBondContact O-N 2.96Å; R37-I41 HydrophobicContact CG-CD1 3.98Å; R37-I41 WeakPolarHBondContact O-CD1 3Å; R37-I41 WeakPolarHBondContact O-CG1 3.42Å; R37-I41 PolarHBondContact O-N 3.41Å
38R83Confident74.7Confident141 Ų14166.2 Ų66.253%0.53233%0.327SS..Hα-helixtrans-71.3-43.7174.1-83.4-179.4-72.5157.9-7.4111.3L34 E35 W36 I41 S42L34-R38 WeakPolarHBondContact O-CB 3.47Å; L34-R38 VanDerWaalsContact O-CG 3.26Å; L34-R38 WeakPolarHBondContact O-CG 3.19Å; L34-R38 PolarHBondContact O-N 3.43Å; L34-R38 PolarHBondContact O-NE 2.94Å; E35-R38 WeakPolarHBondContact O-CA 3.29Å; E35-R38 WeakPolarHBondContact O-CB 3.16Å; E35-R38 PolarHBondContact O-N 2.93Å; E35-R38 IonicContact OE1-NH2 3.89Å; W36-R38 VanDerWaalsContact C-N 3.26Å; W36-R38 PolarHBondContact O-N 3.25Å; R38-I41 PolarHBondContact O-N 3.13Å; R38-S42 PolarHBondContact O-N 2.9Å
39E80Confident74.1Confident71 Ų7168 Ų6833%0.33234%0.34SS..Hα-helixtrans-60.5-45.9174.6-63.1170.3-16300111.8E35 W36 I41 S42 R43 S136E35-E39 PolarHBondContact O-N 3.32Å; W36-E39 PolarHBondContact O-N 3.33Å; E39-I41 PolarHBondContact O-N 2.87Å; E39-S42 PolarHBondContact O-N 2.72Å; E39-S42 PolarHBondContact O-OG 3.12Å; E39-R43 PolarHBondContact O-N 3.09Å; E39-S136 WeakPolarHBondContact CB-OG 3.38Å; E39-S136 WeakPolarHBondContact OE2-CB 3.44Å; E39-S136 PolarHBondContact OE2-OG 2.68Å
40L81.6Confident73.8Confident18 Ų1875.7 Ų75.79%0.09437%0.373CS..Hα-helixtrans-59-28176.6-71-177.8000114.5W36 R43 S136 P140W36-L40 VanDerWaalsContact O-CG 3.31Å; W36-L40 WeakPolarHBondContact O-CG 3.02Å; W36-L40 PolarHBondContact O-N 2.78Å; L40-R43 VanDerWaalsContact O-CG 3.24Å; L40-R43 WeakPolarHBondContact O-CG 3.46Å; L40-R43 PolarHBondContact O-NE 2.83Å; L40-S136 WeakPolarHBondContact CD2-O 3.48Å; L40-P140 HydrophobicContact CD2-CB 3.37Å
41I78.3Confident73.9Confident121 Ų12176 Ų7662%0.62138%0.375SS*.Hα-helixtrans-90.5-37.9179.6-70.2169.7000110.9R37 R38 E39 R43R37-I41 HydrophobicContact CG-CD1 3.98Å; R37-I41 WeakPolarHBondContact O-CD1 3Å; R37-I41 WeakPolarHBondContact O-CG1 3.42Å; R37-I41 PolarHBondContact O-N 3.41Å; R38-I41 PolarHBondContact O-N 3.13Å; E39-I41 PolarHBondContact O-N 2.87Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 2.88Å
42S70.7Confident74.1Confident49 Ų4976.6 Ų76.634%0.34338%0.381SS..Hα-helixtrans-62.3-41.4-175.265.10000111.5R38 E39 S44R38-S42 PolarHBondContact O-N 2.9Å; E39-S42 PolarHBondContact O-N 2.72Å; E39-S42 PolarHBondContact O-OG 3.12Å; S42-S44 VanDerWaalsContact O-CB 3.26Å; S42-S44 WeakPolarHBondContact O-CB 3.49Å; S42-S44 PolarHBondContact O-N 2.94Å; S42-S44 PolarHBondContact O-OG 3.12Å
43R55.4Low74.4Confident174 Ų17480.9 Ų80.966%0.65741%0.406SS*.  trans46.112.4174.7-66.1-165.4168.7-143.8-10.4116.4E39 L40 I41E39-R43 PolarHBondContact O-N 3.09Å; L40-R43 VanDerWaalsContact O-CG 3.24Å; L40-R43 WeakPolarHBondContact O-CG 3.46Å; L40-R43 PolarHBondContact O-NE 2.83Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 2.88Å
44S42.3Very low74.8Confident96 Ų9682.8 Ų82.867%0.67142%0.419SS*.  trans-150.617.5-164.5650000112.8S42 V46S42-S44 VanDerWaalsContact O-CB 3.26Å; S42-S44 WeakPolarHBondContact O-CB 3.49Å; S42-S44 PolarHBondContact O-N 2.94Å; S42-S44 PolarHBondContact O-OG 3.12Å; S44-V46 PolarHBondContact O-N 2.9Å
45T40.5Very low75.2Confident66 Ų6681.6 Ų81.641%0.40541%0.412SS..  trans-65.4122.2170.944.50000109.4D47 S48T45-D47 PolarHBondContact O-N 2.84Å; T45-S48 PolarHBondContact O-N 3.42Å; T45-S48 VanDerWaalsContact O-N 3.14Å; T45-S48 PolarHBondContact O-OG 2.81Å; T45-S48 VanDerWaalsContact O-OG 3.06Å
46V39.7Very low75.7Confident141 Ų14183 Ų8386%0.85542%0.418SS*.THydrogen-bonded Turntrans-57.5-17.5-177.2173.40000112.3S44S44-V46 PolarHBondContact O-N 2.9Å
47D50.5Low76.1Confident80 Ų8089.8 Ų89.843%0.42845%0.448SS..THydrogen-bonded Turntrans-98.13.4-175.4-44.6-68.7000114.5T45 V49T45-D47 PolarHBondContact O-N 2.84Å; D47-V49 PolarHBondContact O-N 2.79Å
48S60.2Low76.8Confident39 Ų3983.2 Ų83.227%0.27342%0.423SS..  trans-67.7113.8176.753.60000111.6T45 K50T45-S48 PolarHBondContact O-N 3.42Å; T45-S48 VanDerWaalsContact O-N 3.14Å; T45-S48 PolarHBondContact O-OG 2.81Å; T45-S48 VanDerWaalsContact O-OG 3.06Å; S48-K50 PolarHBondContact O-N 2.81Å; S48-K50 VanDerWaalsContact O-N 3.12Å
49V75.6Confident77.4Confident63 Ų6376.8 Ų76.838%0.38240%0.399SS..  trans-64113.6-178.6-178.70000110D47 M124 I132 Y138D47-V49 PolarHBondContact O-N 2.79Å; V49-M124 HydrophobicContact CG1-CE 3.57Å; V49-I132 HydrophobicContact CB-CD1 3.82Å; V49-I132 HydrophobicContact CB-CG1 4.28Å; V49-I132 HydrophobicContact CB-CG2 4.4Å; V49-I132 HydrophobicContact CG1-CD1 4.19Å; V49-I132 HydrophobicContact CG1-CG1 4.17Å; V49-I132 HydrophobicContact CG2-CD1 4Å; V49-Y138 PolarHBondContact O-OH 2.79Å
50K85.7Confident78.2Confident173 Ų17376 Ų7675%0.75240%0.399SS*.PPolyproline II helixtrans-87.4116.3178.7-69.8-176.1-179.3177.60110.9S48 Y138S48-K50 PolarHBondContact O-N 2.81Å; S48-K50 VanDerWaalsContact O-N 3.12Å; K50-Y138 WeakPolarHBondContact CA-OH 3.11Å
51L92.2Very high78.9Confident7 Ų777.4 Ų77.44%0.03741%0.408CS..PPolyproline II helixtrans-62.4136.4170.6-62.6177.4000111.7Q55 K56 M124 I129 I132 I133 Y138L51-Q55 VanDerWaalsContact CA-OE1 3.24Å; L51-Q55 HydrophobicContact CB-CB 4.22Å; L51-Q55 HydrophobicContact CD2-CB 4.31Å; L51-K56 HydrophobicContact CB-CG 3.98Å; L51-K56 WeakPolarHBondContact O-CE 3.21Å; L51-K56 PolarHBondContact O-NZ 3.22Å; L51-M124 HydrophobicContact CD2-CE 4.49Å; L51-M124 HydrophobicContact CD2-SD 4Å; L51-I129 HydrophobicContact CD1-CG2 4.23Å; L51-I129 HydrophobicContact CD2-CB 4.48Å; L51-I129 HydrophobicContact CD2-CG1 4.4Å; L51-I129 HydrophobicContact CD2-CG2 4.02Å; L51-I132 HydrophobicContact CD1-CG2 4.38Å; L51-I132 HydrophobicContact CD2-CB 4.19Å; L51-I132 HydrophobicContact CD2-CG2 3.84Å; L51-I132 HydrophobicContact CG-CG2 3.95Å; L51-I133 HydrophobicContact CD1-CD1 4.38Å; L51-I133 HydrophobicContact CD1-CG1 3.9Å; L51-Y138 HydrophobicContact CD1-CE1 4.1Å; L51-Y138 HydrophobicContact CD1-CE2 4.49Å; L51-Y138 HydrophobicContact CG-CE1 4.38Å; L51-Y138 HydrophobicContact CG-CE2 4.35Å; L51-Y138 PolarHBondContact N-OH 3.47Å
52T96.5Very high79.7Confident48 Ų4871.6 Ų71.629%0.29438%0.378SS..PPolyproline II helixtrans-68.1165.8171.775.10000111N54 Q55 K56 D122T52-N54 VanDerWaalsContact C-N 3.29Å; T52-N54 PolarHBondContact O-N 2.03Å; T52-Q55 PolarHBondContact O-N 2.77Å; T52-Q55 VanDerWaalsContact OG1-CG 3.22Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.3Å; T52-Q55 PolarHBondContact OG1-N 2.95Å; T52-K56 WeakPolarHBondContact O-CG 3.11Å; T52-K56 PolarHBondContact O-N 2.83Å; T52-D122 WeakPolarHBondContact CB-OD2 3.26Å; T52-D122 HydrophobicContact CG2-CB 3.86Å; T52-D122 WeakPolarHBondContact CG2-OD2 3.2Å; T52-D122 PolarHBondContact OG1-OD2 2.88Å
53D96.3Very high80.9Confident120 Ų12069.5 Ų69.564%0.64236%0.363SS*.Hα-helixtrans-70.1-26.4-179.7-61.5-29.8000112.6K56 K57D53-K56 IonicContact OD1-NZ 2.67Å; D53-K56 PolarHBondContact OD1-NZ 3.27Å; D53-K57 WeakPolarHBondContact O-CB 3.24Å; D53-K57 PolarHBondContact O-N 3.48Å
54N97.7Very high82.9Confident89 Ų8964.9 Ų64.948%0.47636%0.355SS..Hα-helixtrans-67.1-45.2170.5-63.4-35.8000111.5T52 K57 W58 I121 D122T52-N54 VanDerWaalsContact C-N 3.29Å; T52-N54 PolarHBondContact O-N 2.03Å; N54-K57 PolarHBondContact O-N 2.9Å; N54-W58 PolarHBondContact O-N 2.8Å; N54-I121 HydrophobicContact CB-CG2 3.64Å; N54-D122 WeakPolarHBondContact CB-OD2 3.42Å; N54-D122 PolarHBondContact ND2-OD1 2.98Å; N54-D122 VanDerWaalsContact ND2-OD1 3.13Å; N54-D122 PolarHBondContact ND2-OD2 3.36Å
55Q97.4Very high85.4Confident5 Ų560.8 Ų60.82%0.02333%0.325CS..Hα-helixtrans-62.6-46178.3-66.2167-9.900110.9L51 T52 W58 F59 I121 I129L51-Q55 VanDerWaalsContact CA-OE1 3.24Å; L51-Q55 HydrophobicContact CB-CB 4.22Å; L51-Q55 HydrophobicContact CD2-CB 4.31Å; T52-Q55 PolarHBondContact O-N 2.77Å; T52-Q55 VanDerWaalsContact OG1-CG 3.22Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.3Å; T52-Q55 PolarHBondContact OG1-N 2.95Å; Q55-W58 PolarHBondContact O-N 3.01Å; Q55-F59 PolarHBondContact O-N 3.43Å; Q55-F59 VanDerWaalsContact O-N 3.15Å; Q55-I121 HydrophobicContact CG-CB 3.97Å; Q55-I121 HydrophobicContact CG-CG2 3.78Å; Q55-I121 PolarHBondContact NE2-O 2.03Å; Q55-I129 HydrophobicContact CB-CD1 3.91Å; Q55-I129 HydrophobicContact CB-CG1 4.25Å; Q55-I129 HydrophobicContact CB-CG2 4.39Å; Q55-I129 HydrophobicContact CG-CD1 3.63Å; Q55-I129 HydrophobicContact CG-CG1 4.08Å
56K95.1Very high88.1Confident77 Ų7760.1 Ų60.134%0.33532%0.315SS..Hα-helixtrans-59.2-47.4172.5-67.4-176.9-162.193.70111.6L51 T52 D53 W58 F59 V60L51-K56 HydrophobicContact CB-CG 3.98Å; L51-K56 WeakPolarHBondContact O-CE 3.21Å; L51-K56 PolarHBondContact O-NZ 3.22Å; T52-K56 WeakPolarHBondContact O-CG 3.11Å; T52-K56 PolarHBondContact O-N 2.83Å; D53-K56 IonicContact OD1-NZ 2.67Å; D53-K56 PolarHBondContact OD1-NZ 3.27Å; K56-W58 PolarHBondContact O-N 3.36Å; K56-F59 PolarHBondContact O-N 2.83Å; K56-V60 WeakPolarHBondContact O-CB 3.21Å; K56-V60 VanDerWaalsContact O-CG2 3.28Å; K56-V60 WeakPolarHBondContact O-CG2 3.34Å; K56-V60 PolarHBondContact O-N 3.3Å
57K96.6Very high90.7Very high149 Ų14955.7 Ų55.765%0.64829%0.288SS*.Hα-helixtrans-61-42.6-179.1179.8-179.6177.8-177.10112D53 N54 T61D53-K57 WeakPolarHBondContact O-CB 3.24Å; D53-K57 PolarHBondContact O-N 3.48Å; N54-K57 PolarHBondContact O-N 2.9Å; K57-T61 WeakPolarHBondContact O-CB 3.36Å; K57-T61 PolarHBondContact O-N 3.37Å; K57-T61 PolarHBondContact O-OG1 2.98Å
58W97.2Very high92.8Very high21 Ų2152.6 Ų52.68%0.0827%0.271CS..Hα-helixtrans-59.2-52.8175167.574.6000111.4N54 Q55 K56 T61 L62 I121 K126 I129 L130 A162N54-W58 PolarHBondContact O-N 2.8Å; Q55-W58 PolarHBondContact O-N 3.01Å; K56-W58 PolarHBondContact O-N 3.36Å; W58-T61 WeakPolarHBondContact O-CB 3.33Å; W58-T61 PolarHBondContact O-N 2.88Å; W58-L62 HydrophobicContact CD2-CD1 4.37Å; W58-L62 HydrophobicContact CH2-CD1 4.1Å; W58-L62 HydrophobicContact CZ2-CD1 3.54Å; W58-L62 PolarHBondContact O-N 2.88Å; W58-I121 HydrophobicContact CB-CD1 3.43Å; W58-I121 VanDerWaalsContact CB-CD1 3.43Å; W58-I121 HydrophobicContact CD2-CD1 3.74Å; W58-I121 HydrophobicContact CE3-CD1 4.19Å; W58-I121 HydrophobicContact CG-CD1 3.38Å; W58-K126 HydrophobicContact CD2-CG 4.28Å; W58-K126 HydrophobicContact CH2-CB 3.67Å; W58-K126 HydrophobicContact CH2-CG 3.95Å; W58-K126 WeakPolarHBondContact CH2-O 3.39Å; W58-K126 HydrophobicContact CZ2-CB 3.71Å; W58-K126 HydrophobicContact CZ2-CD 3.95Å; W58-K126 HydrophobicContact CZ2-CG 3.68Å; W58-K126 HydrophobicContact CZ3-CB 4.33Å; W58-K126 HydrophobicContact CZ3-CG 4.37Å; W58-I129 HydrophobicContact CE3-CB 4.41Å; W58-I129 HydrophobicContact CE3-CD1 4.06Å; W58-I129 HydrophobicContact CE3-CG2 3.95Å; W58-I129 HydrophobicContact CZ3-CB 3.88Å; W58-I129 HydrophobicContact CZ3-CD1 4.18Å; W58-I129 HydrophobicContact CZ3-CG2 3.69Å; W58-L130 HydrophobicContact CH2-CD1 4.07Å; W58-L130 HydrophobicContact CH2-CD2 4.25Å; W58-L130 HydrophobicContact CH2-CG 3.94Å; W58-L130 HydrophobicContact CZ3-CD2 4.31Å; W58-L130 HydrophobicContact CZ3-CG 4.21Å; W58-A162 HydrophobicContact CH2-CB 4.38Å; W58-A162 HydrophobicContact CZ2-CB 4.04Å
59F96.9Very high94.4Very high6 Ų655.5 Ų55.53%0.02628%0.281CS..Hα-helixtrans-61.4-47178.8166.6-105.5000112.6Q55 K56 T61 L62 S63 L130 I133 D158 P336 F337Q55-F59 PolarHBondContact O-N 3.43Å; Q55-F59 VanDerWaalsContact O-N 3.15Å; K56-F59 PolarHBondContact O-N 2.83Å; F59-T61 PolarHBondContact O-N 2.97Å; F59-L62 PolarHBondContact O-N 2.93Å; F59-S63 PolarHBondContact O-N 3.48Å; F59-L130 HydrophobicContact CD2-CD2 4.02Å; F59-L130 HydrophobicContact CE2-CD2 4.4Å; F59-I133 HydrophobicContact CB-CD1 3.74Å; F59-I133 HydrophobicContact CD1-CD1 3.78Å; F59-I133 HydrophobicContact CD1-CG1 4.46Å; F59-I133 HydrophobicContact CD2-CD1 3.37Å; F59-I133 HydrophobicContact CE1-CD1 4.24Å; F59-I133 HydrophobicContact CE2-CD1 3.85Å; F59-I133 HydrophobicContact CE2-CG2 4.22Å; F59-I133 HydrophobicContact CG-CD1 3.29Å; F59-I133 HydrophobicContact CG-CG1 4.4Å; F59-I133 HydrophobicContact CZ-CD1 4.25Å; F59-I133 HydrophobicContact CZ-CG2 4.11Å; F59-D158 HydrophobicContact CE2-CB 4.49Å; F59-D158 WeakPolarHBondContact CE2-OD2 2.95Å; F59-P336 HydrophobicContact CE1-CB 3.97Å; F59-P336 HydrophobicContact CE1-CG 3.54Å; F59-P336 HydrophobicContact CZ-CG 3.8Å; F59-F337 HydrophobicContact CE1-CD1 4.5Å; F59-F337 HydrophobicContact CE2-CD1 4.28Å; F59-F337 AromaticContact CE2-CE1 3.83Å; F59-F337 HydrophobicContact CE2-CE1 3.83Å; F59-F337 AromaticContact CZ-CD1 3.59Å; F59-F337 HydrophobicContact CZ-CD1 3.59Å; F59-F337 AromaticContact CZ-CE1 3.47Å; F59-F337 HydrophobicContact CZ-CE1 3.47Å; F59-F337 VanDerWaalsContact CZ-CE1 3.47Å; F59-F337 HydrophobicContact CZ-CZ 4.42Å
60V96.1Very high95.4Very high55 Ų5556.7 Ų56.733%0.33328%0.282SS..Hα-helixtrans-57.7-39.3177.6169.20000110.6K56 L62 S63 T64K56-V60 WeakPolarHBondContact O-CB 3.21Å; K56-V60 VanDerWaalsContact O-CG2 3.28Å; K56-V60 WeakPolarHBondContact O-CG2 3.34Å; K56-V60 PolarHBondContact O-N 3.3Å; V60-L62 PolarHBondContact O-N 3.31Å; V60-S63 WeakPolarHBondContact CA-OG 3.13Å; V60-S63 PolarHBondContact O-N 2.89Å; V60-S63 PolarHBondContact O-OG 2.83Å; V60-T64 HydrophobicContact CG1-CG2 4.11Å; V60-T64 VanDerWaalsContact O-CG2 3.25Å; V60-T64 WeakPolarHBondContact O-CG2 3.35Å; V60-T64 PolarHBondContact O-N 3.36Å; V60-T64 PolarHBondContact O-OG1 3.16Å; V60-T64 VanDerWaalsContact O-OG1 3.09Å
61T96.5Very high95.8Very high46 Ų4648.5 Ų48.528%0.28225%0.246SC..Hα-helixtrans-58-46.7176-54.90000111.5K57 W58 F59 T64 M65 Y74K57-T61 WeakPolarHBondContact O-CB 3.36Å; K57-T61 PolarHBondContact O-N 3.37Å; K57-T61 PolarHBondContact O-OG1 2.98Å; W58-T61 WeakPolarHBondContact O-CB 3.33Å; W58-T61 PolarHBondContact O-N 2.88Å; F59-T61 PolarHBondContact O-N 2.97Å; T61-T64 PolarHBondContact O-OG1 3.06Å; T61-M65 HydrophobicContact CG2-CE 4Å; T61-M65 WeakPolarHBondContact O-CE 3.37Å; T61-Y74 HydrophobicContact CG2-CD2 3.84Å; T61-Y74 HydrophobicContact CG2-CE2 3.55Å
62L95.3Very high95.9Very high0 Ų048.8 Ų48.80%025%0.248CC..Hα-helixtrans-63-50.8175.2-64.5172.9000111.9W58 F59 V60 T64 M65 Y74 L161 A162W58-L62 HydrophobicContact CD2-CD1 4.37Å; W58-L62 HydrophobicContact CH2-CD1 4.1Å; W58-L62 HydrophobicContact CZ2-CD1 3.54Å; W58-L62 PolarHBondContact O-N 2.88Å; F59-L62 PolarHBondContact O-N 2.93Å; V60-L62 PolarHBondContact O-N 3.31Å; L62-T64 PolarHBondContact O-N 2.85Å; L62-T64 VanDerWaalsContact O-N 3.16Å; L62-M65 HydrophobicContact CD2-CE 4.17Å; L62-M65 WeakPolarHBondContact O-CB 3.36Å; L62-M65 PolarHBondContact O-N 2.94Å; L62-Y74 HydrophobicContact CD2-CE1 4.26Å; L62-L161 HydrophobicContact CD2-CB 4.32Å; L62-A162 HydrophobicContact CD1-CB 3.86Å
63S96.1Very high95.8Very high5 Ų549.6 Ų49.64%0.03525%0.25CS..Hα-helixtrans-58-33.2-177.472.80000114.1F59 V60 M65 K157 D158F59-S63 PolarHBondContact O-N 3.48Å; V60-S63 WeakPolarHBondContact CA-OG 3.13Å; V60-S63 PolarHBondContact O-N 2.89Å; V60-S63 PolarHBondContact O-OG 2.83Å; S63-M65 PolarHBondContact O-N 2.84Å; S63-K157 PolarHBondContact O-NZ 2.82Å; S63-D158 VanDerWaalsContact CA-OD1 3.29Å; S63-D158 WeakPolarHBondContact CA-OD1 3.41Å; S63-D158 WeakPolarHBondContact CA-OD2 3.47Å; S63-D158 WeakPolarHBondContact CB-OD2 3.42Å; S63-D158 PolarHBondContact N-OD1 2.82Å
64T96.2Very high95.7Very high77 Ų7746 Ų4647%0.47223%0.228SC..THydrogen-bonded Turntrans-74.9-10.2-179.856.40000113.9V60 T61 L62 R66V60-T64 HydrophobicContact CG1-CG2 4.11Å; V60-T64 VanDerWaalsContact O-CG2 3.25Å; V60-T64 WeakPolarHBondContact O-CG2 3.35Å; V60-T64 PolarHBondContact O-N 3.36Å; V60-T64 PolarHBondContact O-OG1 3.16Å; V60-T64 VanDerWaalsContact O-OG1 3.09Å; T61-T64 PolarHBondContact O-OG1 3.06Å; L62-T64 PolarHBondContact O-N 2.85Å; L62-T64 VanDerWaalsContact O-N 3.16Å; T64-R66 PolarHBondContact O-N 3.4Å
65M96.1Very high95.5Very high9 Ų941.8 Ų41.84%0.04421%0.205CC..  trans-75.8121.2174.9-57.5177.9-16200110.2T61 L62 S63 Q70 F71 Y74 K157 L161 F353T61-M65 HydrophobicContact CG2-CE 4Å; T61-M65 WeakPolarHBondContact O-CE 3.37Å; L62-M65 HydrophobicContact CD2-CE 4.17Å; L62-M65 WeakPolarHBondContact O-CB 3.36Å; L62-M65 PolarHBondContact O-N 2.94Å; S63-M65 PolarHBondContact O-N 2.84Å; M65-Q70 HydrophobicContact CB-CB 4.32Å; M65-Q70 HydrophobicContact CG-CB 4.3Å; M65-F71 HydrophobicContact SD-CB 3.96Å; M65-F71 HydrophobicContact SD-CD2 3.89Å; M65-F71 HydrophobicContact SD-CG 4.45Å; M65-Y74 VanDerWaalsContact CE-CB 3.5Å; M65-Y74 HydrophobicContact CE-CD1 3.64Å; M65-Y74 HydrophobicContact CE-CD2 3.67Å; M65-Y74 HydrophobicContact CE-CE1 4.26Å; M65-Y74 HydrophobicContact CE-CE2 4.3Å; M65-Y74 HydrophobicContact CE-CG 3.31Å; M65-K157 PolarHBondContact O-NZ 2.85Å; M65-L161 HydrophobicContact CB-CD1 4.11Å; M65-L161 HydrophobicContact SD-CD1 4.23Å; M65-F353 WeakPolarHBondContact O-CZ 3.33Å
66R95.3Very high95.2Very high53 Ų5346 Ų4620%0.222%0.221CC..  trans-118.2-4.7-179.5-56.1-52.4-63.7-177.11113.6T64 E154 L348 Y349 F353T64-R66 PolarHBondContact O-N 3.4Å; R66-E154 IonicContact CZ-OE2 3.77Å; R66-E154 VanDerWaalsContact NH1-CD 3.27Å; R66-E154 IonicContact NH1-OE1 3.21Å; R66-E154 PolarHBondContact NH1-OE1 2.8Å; R66-E154 VanDerWaalsContact NH1-OE1 3.13Å; R66-E154 IonicContact NH1-OE2 2.75Å; R66-E154 PolarHBondContact NH1-OE2 2.93Å; R66-E154 IonicContact NH2-OE2 2.72Å; R66-L348 HydrophobicContact CB-CD2 4.15Å; R66-L348 WeakPolarHBondContact O-CD2 3.29Å; R66-Y349 PolarHBondContact NH1-OH 3.44Å; R66-Y349 PolarHBondContact NH2-OH 2.92Å; R66-F353 WeakPolarHBondContact O-CE2 3.42Å
67T95.6Very high95.1Very high47 Ų4749.5 Ų49.529%0.28824%0.236SC..SBendtrans-134.9157.817168.30000111.7Q69 Q70 F71 E352T67-Q69 PolarHBondContact O-N 3.31Å; T67-Q70 PolarHBondContact O-N 3.16Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.49Å; T67-Q70 PolarHBondContact OG1-N 3.02Å; T67-F71 PolarHBondContact O-N 3.47Å; T67-E352 WeakPolarHBondContact CA-OE2 3.31Å; T67-E352 VanDerWaalsContact CB-OE2 3.3Å; T67-E352 WeakPolarHBondContact CB-OE2 3.49Å
68M94.1Very high94.9Very high15 Ų1546.8 Ų46.87%0.07423%0.229CC..Hα-helixtrans-66.4-26.5175.2-78.3-60.2-60.900112.9F71 E72 I90 E352 F353M68-F71 HydrophobicContact CE-CD1 3.87Å; M68-F71 PolarHBondContact O-N 3.33Å; M68-E72 WeakPolarHBondContact O-CB 3.25Å; M68-E72 PolarHBondContact O-N 2.02Å; M68-I90 HydrophobicContact CE-CB 4.05Å; M68-I90 HydrophobicContact CE-CG2 3.39Å; M68-E352 WeakPolarHBondContact CG-O 3.3Å; M68-E352 PolarHBondContact N-OE2 2.72Å; M68-F353 HydrophobicContact CG-CD1 4.36Å; M68-F353 HydrophobicContact SD-CD1 3.65Å; M68-F353 HydrophobicContact SD-CE1 4.16Å; M68-F353 HydrophobicContact SD-CG 4.48Å
69Q94Very high94.5Very high100 Ų10046.2 Ų46.247%0.46723%0.228SC..Hα-helixtrans-63.3-41.6174.2-17263.760.400111.9T67 F71 E72 D73T67-Q69 PolarHBondContact O-N 3.31Å; Q69-F71 VanDerWaalsContact C-N 3.31Å; Q69-F71 PolarHBondContact O-N 2.88Å; Q69-E72 PolarHBondContact O-N 2.99Å; Q69-D73 PolarHBondContact NE2-OD1 3.11Å; Q69-D73 WeakPolarHBondContact O-CB 3.47Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.36Å
70Q95.9Very high93.9Very high89 Ų8948.1 Ų48.142%0.41625%0.245SC..Hα-helixtrans-63.5-39.3177.3-71.5173.1-29.100111.5M65 T67 Y74M65-Q70 HydrophobicContact CB-CB 4.32Å; M65-Q70 HydrophobicContact CG-CB 4.3Å; T67-Q70 PolarHBondContact O-N 3.16Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.49Å; T67-Q70 PolarHBondContact OG1-N 3.02Å; Q70-Y74 WeakPolarHBondContact O-CB 3.16Å; Q70-Y74 PolarHBondContact O-N 2.94Å; Q70-Y74 VanDerWaalsContact O-N 3.1Å
71F95.4Very high92.9Very high0 Ų049.7 Ų49.70%026%0.264CS..Hα-helixtrans-66.4-45.1173.2177.6-110000112.1M65 T67 M68 Q69 D73 Y74 W75 I90 L161 R164 M165M65-F71 HydrophobicContact SD-CB 3.96Å; M65-F71 HydrophobicContact SD-CD2 3.89Å; M65-F71 HydrophobicContact SD-CG 4.45Å; T67-F71 PolarHBondContact O-N 3.47Å; M68-F71 HydrophobicContact CE-CD1 3.87Å; M68-F71 PolarHBondContact O-N 3.33Å; Q69-F71 VanDerWaalsContact C-N 3.31Å; Q69-F71 PolarHBondContact O-N 2.88Å; F71-D73 VanDerWaalsContact C-N 3.33Å; F71-D73 PolarHBondContact O-N 3.18Å; F71-Y74 CarbonylContact O-C 3.35Å; F71-Y74 PolarHBondContact O-N 3.28Å; F71-Y74 VanDerWaalsContact O-N 3.14Å; F71-W75 HydrophobicContact CE1-CB 4.48Å; F71-W75 HydrophobicContact CZ-CB 4.43Å; F71-W75 VanDerWaalsContact O-CB 3.27Å; F71-W75 WeakPolarHBondContact O-CB 3.23Å; F71-W75 PolarHBondContact O-N 3.19Å; F71-I90 HydrophobicContact CD1-CD1 4.15Å; F71-I90 HydrophobicContact CD1-CG2 4.24Å; F71-I90 HydrophobicContact CE1-CD1 3.91Å; F71-I90 HydrophobicContact CE1-CG2 4.11Å; F71-L161 HydrophobicContact CB-CD2 4.15Å; F71-L161 HydrophobicContact CD1-CD2 4.04Å; F71-L161 HydrophobicContact CD2-CB 4.03Å; F71-L161 HydrophobicContact CD2-CD1 4.27Å; F71-L161 HydrophobicContact CD2-CD2 3.71Å; F71-L161 HydrophobicContact CD2-CG 4.2Å; F71-L161 HydrophobicContact CE1-CD2 4.38Å; F71-L161 HydrophobicContact CE2-CB 3.94Å; F71-L161 HydrophobicContact CE2-CD2 4.08Å; F71-L161 VanDerWaalsContact CE2-O 3.26Å; F71-L161 WeakPolarHBondContact CE2-O 3.46Å; F71-L161 HydrophobicContact CG-CD2 3.67Å; F71-L161 HydrophobicContact CZ-CD2 4.4Å; F71-L161 WeakPolarHBondContact CZ-O 3.1Å; F71-R164 HydrophobicContact CE1-CB 3.97Å; F71-R164 HydrophobicContact CZ-CB 3.67Å; F71-M165 HydrophobicContact CE2-CG 4.31Å; F71-M165 HydrophobicContact CE2-SD 3.75Å; F71-M165 HydrophobicContact CZ-SD 4.13Å
72E94.1Very high92.1Very high14 Ų1453.8 Ų53.87%0.06529%0.289CS..Hα-helixtrans-60.7-41.2178.9-167.1179.195.300112.1M68 Q69 W75 R76 K89 I90M68-E72 WeakPolarHBondContact O-CB 3.25Å; M68-E72 PolarHBondContact O-N 2.02Å; Q69-E72 PolarHBondContact O-N 2.99Å; E72-W75 PolarHBondContact O-N 3Å; E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 WeakPolarHBondContact O-CG 3.31Å; E72-R76 PolarHBondContact O-N 2.95Å; E72-R76 IonicContact OE1-CZ 3.09Å; E72-R76 IonicContact OE1-NH1 3.05Å; E72-R76 PolarHBondContact OE1-NH1 3.16Å; E72-R76 IonicContact OE1-NH2 2.71Å; E72-R76 PolarHBondContact OE1-NH2 2.87Å; E72-R76 IonicContact OE2-NH2 2.71Å; E72-K89 WeakPolarHBondContact OE2-CA 3.48Å; E72-I90 HydrophobicContact CB-CD1 4.32Å; E72-I90 HydrophobicContact CG-CB 4.44Å; E72-I90 HydrophobicContact CG-CD1 4.1Å; E72-I90 HydrophobicContact CG-CG1 4.02Å; E72-I90 PolarHBondContact OE2-N 3.34Å
73D93.8Very high91.3Very high65 Ų6555.3 Ų55.335%0.34830%0.297SS..Hα-helixtrans-67-35.3175.2-70.5-8.3000112.7Q69 F71 R76 K77Q69-D73 PolarHBondContact NE2-OD1 3.11Å; Q69-D73 WeakPolarHBondContact O-CB 3.47Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.36Å; F71-D73 VanDerWaalsContact C-N 3.33Å; F71-D73 PolarHBondContact O-N 3.18Å; D73-R76 IonicContact OD1-NH1 2.74Å; D73-K77 VanDerWaalsContact O-CD 3.27Å; D73-K77 WeakPolarHBondContact O-CD 3.22Å; D73-K77 WeakPolarHBondContact O-CG 3.41Å
74Y94.6Very high90.4Very high43 Ų4359.2 Ų59.217%0.16931%0.314CS..Hα-helixtrans-70.9-43.3173.3178.5-95.9000111.6T61 L62 M65 Q70 F71 K77 N78 M165T61-Y74 HydrophobicContact CG2-CD2 3.84Å; T61-Y74 HydrophobicContact CG2-CE2 3.55Å; L62-Y74 HydrophobicContact CD2-CE1 4.26Å; M65-Y74 VanDerWaalsContact CE-CB 3.5Å; M65-Y74 HydrophobicContact CE-CD1 3.64Å; M65-Y74 HydrophobicContact CE-CD2 3.67Å; M65-Y74 HydrophobicContact CE-CE1 4.26Å; M65-Y74 HydrophobicContact CE-CE2 4.3Å; M65-Y74 HydrophobicContact CE-CG 3.31Å; Q70-Y74 WeakPolarHBondContact O-CB 3.16Å; Q70-Y74 PolarHBondContact O-N 2.94Å; Q70-Y74 VanDerWaalsContact O-N 3.1Å; F71-Y74 CarbonylContact O-C 3.35Å; F71-Y74 PolarHBondContact O-N 3.28Å; F71-Y74 VanDerWaalsContact O-N 3.14Å; Y74-K77 PolarHBondContact O-N 3.45Å; Y74-N78 HydrophobicContact CD1-CB 4.5Å; Y74-N78 WeakPolarHBondContact CD2-ND2 3.48Å; Y74-N78 HydrophobicContact CE1-CB 4.09Å; Y74-N78 HydrophobicContact CE2-CB 4.36Å; Y74-N78 WeakPolarHBondContact CE2-ND2 3.48Å; Y74-N78 WeakPolarHBondContact O-CB 3.01Å; Y74-N78 PolarHBondContact O-N 3.39Å; Y74-N78 PolarHBondContact O-ND2 3.31Å; Y74-M165 HydrophobicContact CD1-CE 4.07Å; Y74-M165 HydrophobicContact CD1-SD 3.6Å; Y74-M165 HydrophobicContact CE1-CE 3.79Å; Y74-M165 HydrophobicContact CE1-CG 4.37Å; Y74-M165 HydrophobicContact CE1-SD 3.58Å; Y74-M165 VanDerWaalsContact CE1-SD 3.58Å
75W94.5Very high89.6Confident2 Ų259 Ų591%0.00831%0.309CS..Hα-helixtrans-61.8-49.2179.2-178.892.5000111.5F71 E72 K77 N78 A79 D83 K88 I90 R164 M165 A168F71-W75 HydrophobicContact CE1-CB 4.48Å; F71-W75 HydrophobicContact CZ-CB 4.43Å; F71-W75 VanDerWaalsContact O-CB 3.27Å; F71-W75 WeakPolarHBondContact O-CB 3.23Å; F71-W75 PolarHBondContact O-N 3.19Å; E72-W75 PolarHBondContact O-N 3Å; W75-K77 PolarHBondContact O-N 2.86Å; W75-K77 VanDerWaalsContact O-N 3.11Å; W75-N78 PolarHBondContact O-N 2.68Å; W75-N78 VanDerWaalsContact O-N 3.14Å; W75-A79 HydrophobicContact CD2-CB 4.04Å; W75-A79 HydrophobicContact CG-CB 4.1Å; W75-A79 HydrophobicContact CZ2-CB 4.36Å; W75-A79 VanDerWaalsContact O-CB 3.24Å; W75-A79 WeakPolarHBondContact O-CB 3.41Å; W75-A79 PolarHBondContact O-N 2.99Å; W75-D83 VanDerWaalsContact CH2-O 3.27Å; W75-D83 WeakPolarHBondContact CH2-O 3.11Å; W75-D83 HydrophobicContact CZ2-CB 4.43Å; W75-D83 WeakPolarHBondContact CZ2-O 3.28Å; W75-K88 HydrophobicContact CH2-CB 4.43Å; W75-K88 HydrophobicContact CH2-CD 4.16Å; W75-I90 HydrophobicContact CB-CD1 3.88Å; W75-I90 HydrophobicContact CD2-CD1 3.67Å; W75-I90 HydrophobicContact CE3-CD1 3.9Å; W75-I90 HydrophobicContact CG-CD1 3.65Å; W75-R164 PolarHBondContact NE1-O 3.08Å; W75-M165 HydrophobicContact CB-SD 4.24Å; W75-M165 HydrophobicContact CG-SD 4.45Å; W75-A168 HydrophobicContact CZ2-CB 3.87Å
76R91.2Very high88.5Confident92 Ų9263.6 Ų63.635%0.34734%0.343SS..Hα-helixtrans-54-34.4175.2-78.1-176.1-179.9112.913112.7E72 D73 K84 K88E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 WeakPolarHBondContact O-CG 3.31Å; E72-R76 PolarHBondContact O-N 2.95Å; E72-R76 IonicContact OE1-CZ 3.09Å; E72-R76 IonicContact OE1-NH1 3.05Å; E72-R76 PolarHBondContact OE1-NH1 3.16Å; E72-R76 IonicContact OE1-NH2 2.71Å; E72-R76 PolarHBondContact OE1-NH2 2.87Å; E72-R76 IonicContact OE2-NH2 2.71Å; D73-R76 IonicContact OD1-NH1 2.74Å; R76-K84 VanDerWaalsContact O-CE 3.32Å; R76-K84 WeakPolarHBondContact O-CE 3.29Å; R76-K84 PolarHBondContact O-NZ 3.27Å; R76-K88 PolarHBondContact NH2-O 3.29Å; R76-K88 VanDerWaalsContact NH2-O 3.15Å
77K92Very high87.8Confident152 Ų15271.4 Ų71.466%0.66137%0.372SS*.Hα-helixtrans-78-49.1176.9-68.5165.9-169.4162.20111.5D73 Y74 W75 K84D73-K77 VanDerWaalsContact O-CD 3.27Å; D73-K77 WeakPolarHBondContact O-CD 3.22Å; D73-K77 WeakPolarHBondContact O-CG 3.41Å; Y74-K77 PolarHBondContact O-N 3.45Å; W75-K77 PolarHBondContact O-N 2.86Å; W75-K77 VanDerWaalsContact O-N 3.11Å; K77-K84 PolarHBondContact O-NZ 3.07Å
78N93.1Very high87.3Confident91 Ų9171.1 Ų71.149%0.48737%0.367SS..Hα-helixtrans-109.4-10.4-161.2-59-84.8000116.7Y74 W75 M165Y74-N78 HydrophobicContact CD1-CB 4.5Å; Y74-N78 WeakPolarHBondContact CD2-ND2 3.48Å; Y74-N78 HydrophobicContact CE1-CB 4.09Å; Y74-N78 HydrophobicContact CE2-CB 4.36Å; Y74-N78 WeakPolarHBondContact CE2-ND2 3.48Å; Y74-N78 WeakPolarHBondContact O-CB 3.01Å; Y74-N78 PolarHBondContact O-N 3.39Å; Y74-N78 PolarHBondContact O-ND2 3.31Å; W75-N78 PolarHBondContact O-N 2.68Å; W75-N78 VanDerWaalsContact O-N 3.14Å; N78-M165 HydrophobicContact CB-CE 3.78Å
79A89Confident87.1Confident9 Ų978 Ų787%0.07440%0.396CS..SBendtrans-64160.4175.900000111.7W75 K84 M165W75-A79 HydrophobicContact CD2-CB 4.04Å; W75-A79 HydrophobicContact CG-CB 4.1Å; W75-A79 HydrophobicContact CZ2-CB 4.36Å; W75-A79 VanDerWaalsContact O-CB 3.24Å; W75-A79 WeakPolarHBondContact O-CB 3.41Å; W75-A79 PolarHBondContact O-N 2.99Å; A79-K84 HydrophobicContact CB-CG 4.08Å; A79-K84 WeakPolarHBondContact O-CE 3.44Å; A79-M165 HydrophobicContact CB-CE 4.12Å
80A82.9Confident86.9Confident46 Ų4673.5 Ų73.538%0.3838%0.375SS..  trans-71.615017500000110.2V82 D83 K84A80-V82 HydrophobicContact CB-CG2 4.11Å; A80-V82 PolarHBondContact O-N 3Å; A80-V82 VanDerWaalsContact O-N 3.1Å; A80-D83 WeakPolarHBondContact CB-OD2 3.28Å; A80-D83 PolarHBondContact N-OD2 2.93Å; A80-D83 PolarHBondContact O-N 3Å; A80-K84 PolarHBondContact O-N 2.9Å
81A76.1Confident86.8Confident89 Ų8974.2 Ų74.274%0.73638%0.382SS*.THydrogen-bonded Turntrans-58-29.9-174.700000113.5D83 K84A81-D83 VanDerWaalsContact C-N 3.29Å; A81-D83 PolarHBondContact O-N 3.12Å; A81-K84 PolarHBondContact O-N 3.38Å
82V79.3Confident86.8Confident131 Ų13177.2 Ų77.279%0.79440%0.401SS*.THydrogen-bonded Turntrans-68.2-23.7176-65.30000114A80A80-V82 HydrophobicContact CB-CG2 4.11Å; A80-V82 PolarHBondContact O-N 3Å; A80-V82 VanDerWaalsContact O-N 3.1Å
83D77.4Confident86.9Confident32 Ų3276.7 Ų76.717%0.17140%0.399CS..THydrogen-bonded Turntrans-93.5-17.5179.5-44.4-53.4000112W75 A80 A81 D85 R115W75-D83 VanDerWaalsContact CH2-O 3.27Å; W75-D83 WeakPolarHBondContact CH2-O 3.11Å; W75-D83 HydrophobicContact CZ2-CB 4.43Å; W75-D83 WeakPolarHBondContact CZ2-O 3.28Å; A80-D83 WeakPolarHBondContact CB-OD2 3.28Å; A80-D83 PolarHBondContact N-OD2 2.93Å; A80-D83 PolarHBondContact O-N 3Å; A81-D83 VanDerWaalsContact C-N 3.29Å; A81-D83 PolarHBondContact O-N 3.12Å; D83-D85 PolarHBondContact O-N 2.98Å; D83-R115 VanDerWaalsContact CG-NH2 3.32Å; D83-R115 IonicContact OD1-CZ 2.69Å; D83-R115 IonicContact OD1-NH1 3.33Å; D83-R115 PolarHBondContact OD1-NH1 2.94Å; D83-R115 IonicContact OD1-NH2 3.86Å; D83-R115 PolarHBondContact OD1-NH2 3.12Å; D83-R115 VanDerWaalsContact OD1-NH2 3.14Å; D83-R115 IonicContact OD2-CZ 3.4Å; D83-R115 IonicContact OD2-NH1 2.65Å; D83-R115 IonicContact OD2-NH2 3.14Å; D83-R115 PolarHBondContact OD2-NH2 3.22Å
84K78Confident87Confident88 Ų8877.5 Ų77.538%0.38340%0.401SS..  trans-78.4108.7-174-69.9-170.1-166.2-168.10112.4R76 K77 A79 A80 A81R76-K84 VanDerWaalsContact O-CE 3.32Å; R76-K84 WeakPolarHBondContact O-CE 3.29Å; R76-K84 PolarHBondContact O-NZ 3.27Å; K77-K84 PolarHBondContact O-NZ 3.07Å; A79-K84 HydrophobicContact CB-CG 4.08Å; A79-K84 WeakPolarHBondContact O-CE 3.44Å; A80-K84 PolarHBondContact O-N 2.9Å; A81-K84 PolarHBondContact O-N 3.38Å
85D80.4Confident87.2Confident71 Ų7175.4 Ų75.438%0.3839%0.393SS..  trans-102.5121.6154.1172.213.9000109.2D83 R87 K88D83-D85 PolarHBondContact O-N 2.98Å; D85-R87 PolarHBondContact O-N 2.91Å; D85-R87 PolarHBondContact OD1-N 3.43Å; D85-K88 HydrophobicContact CB-CB 4.03Å; D85-K88 WeakPolarHBondContact O-CB 3.42Å; D85-K88 PolarHBondContact O-N 2.67Å; D85-K88 VanDerWaalsContact O-N 3.15Å
86S72.7Confident87.3Confident107 Ų10778.4 Ų78.475%0.74840%0.404SS*.THydrogen-bonded Turntrans-65.2-20.7-179.157.40000113.5
87R80.4Confident87.7Confident216 Ų21674 Ų7482%0.81539%0.387SS*.THydrogen-bonded Turntrans-95.8-3.9177.6-62.9178.8-64.6-179.90.7113.1D85 K89D85-R87 PolarHBondContact O-N 2.91Å; D85-R87 PolarHBondContact OD1-N 3.43Å; R87-K89 PolarHBondContact O-N 3.02Å
88K84.9Confident87.9Confident42 Ų4266.8 Ų66.818%0.18336%0.356CS..  trans-66.8127-179.6-164.9161.8-168163.60110.6W75 R76 D85 A168 D169W75-K88 HydrophobicContact CH2-CB 4.43Å; W75-K88 HydrophobicContact CH2-CD 4.16Å; R76-K88 PolarHBondContact NH2-O 3.29Å; R76-K88 VanDerWaalsContact NH2-O 3.15Å; D85-K88 HydrophobicContact CB-CB 4.03Å; D85-K88 WeakPolarHBondContact O-CB 3.42Å; D85-K88 PolarHBondContact O-N 2.67Å; D85-K88 VanDerWaalsContact O-N 3.15Å; K88-A168 HydrophobicContact CD-CB 4.11Å; K88-D169 WeakPolarHBondContact CE-OD1 3.4Å; K88-D169 IonicContact NZ-OD1 3.74Å; K88-D169 PolarHBondContact NZ-OD1 2.85Å; K88-D169 IonicContact NZ-OD2 2.84Å; K88-D169 PolarHBondContact NZ-OD2 2.85Å
89K88.7Confident88.1Confident159 Ų15962.5 Ų62.569%0.69133%0.333SS*.  trans-98.9125163.5-178.1179.2-179.5179.50107.7E72 R87 L91E72-K89 WeakPolarHBondContact OE2-CA 3.48Å; R87-K89 PolarHBondContact O-N 3.02Å; K89-L91 HydrophobicContact CD-CD2 4.21Å; K89-L91 HydrophobicContact CG-CD2 4.3Å
90I91.5Very high88.5Confident5 Ų563.8 Ų63.83%0.02634%0.34CS..  trans-88.8112.9-178.5-53.3-177.1000108.3M68 F71 E72 W75 A168M68-I90 HydrophobicContact CE-CB 4.05Å; M68-I90 HydrophobicContact CE-CG2 3.39Å; F71-I90 HydrophobicContact CD1-CD1 4.15Å; F71-I90 HydrophobicContact CD1-CG2 4.24Å; F71-I90 HydrophobicContact CE1-CD1 3.91Å; F71-I90 HydrophobicContact CE1-CG2 4.11Å; E72-I90 HydrophobicContact CB-CD1 4.32Å; E72-I90 HydrophobicContact CG-CB 4.44Å; E72-I90 HydrophobicContact CG-CD1 4.1Å; E72-I90 HydrophobicContact CG-CG1 4.02Å; E72-I90 PolarHBondContact OE2-N 3.34Å; W75-I90 HydrophobicContact CB-CD1 3.88Å; W75-I90 HydrophobicContact CD2-CD1 3.67Å; W75-I90 HydrophobicContact CE3-CD1 3.9Å; W75-I90 HydrophobicContact CG-CD1 3.65Å; I90-A168 HydrophobicContact CD1-CB 4.13Å; I90-A168 HydrophobicContact CG1-CB 4.23Å
91L92.5Very high89.1Confident105 Ų10562.4 Ų62.455%0.5533%0.327SS..PPolyproline II helixtrans-83.9162.4-179.4-59.8-179.1000111.6K89 R164K89-L91 HydrophobicContact CD-CD2 4.21Å; K89-L91 HydrophobicContact CG-CD2 4.3Å; L91-R164 PolarHBondContact O-NH1 2.83Å; L91-R164 PolarHBondContact O-NH2 3.16Å
92P94.8Very high90Very high62 Ų6261.7 Ų61.740%0.40331%0.314SS..PPolyproline II helixtrans-55.7141.6167.6-20.631.6000110.7E352 F353P92-E352 WeakPolarHBondContact CB-O 3.2Å; P92-E352 WeakPolarHBondContact CG-O 3.24Å; P92-F353 CarbonylContact C-O 3.55Å; P92-F353 VanDerWaalsContact CA-O 3.31Å; P92-F353 WeakPolarHBondContact CA-O 3.26Å
93A97.1Very high90.6Very high4 Ų457.8 Ų57.83%0.03329%0.287CS..EExtended strand (participates in β ladder)trans-68.8145.7179.400000111.5E160 A171 F353 Y354 T355A93-E160 HydrophobicContact CB-CG 4.44Å; A93-E160 WeakPolarHBondContact CB-OE1 3.48Å; A93-A171 HydrophobicContact CB-CB 3.78Å; A93-F353 PolarHBondContact N-O 2.75Å; A93-Y354 CarbonylContact O-C 3.53Å; A93-Y354 WeakPolarHBondContact O-CA 3.42Å; A93-T355 PolarHBondContact O-N 2.8Å
94Q96.8Very high91.5Very high81 Ų8160.9 Ų60.938%0.37930%0.304SS..EExtended strand (participates in β ladder)trans-108.699.6172.7-166.4-175.516.900110.1R96 A171 D357Q94-R96 PolarHBondContact O-N 3.46Å; Q94-A171 VanDerWaalsContact O-CB 3.23Å; Q94-A171 WeakPolarHBondContact O-CB 3.19Å; Q94-D357 HydrophobicContact CG-CB 4.35Å; Q94-D357 PolarHBondContact NE2-OD2 2.88Å
95R97.9Very high92.3Very high0 Ų059.9 Ų59.90%030%0.301CS..EExtended strand (participates in β ladder)trans-78.9113.3-178.1-59.1-167.9177.8164.80.8110.1E160 L172 Y174 D297 Y354 T355 Y356 D357R95-E160 IonicContact CZ-OE1 3.67Å; R95-E160 IonicContact CZ-OE2 3.47Å; R95-E160 IonicContact NE-OE1 2.68Å; R95-E160 PolarHBondContact NE-OE1 3.08Å; R95-E160 VanDerWaalsContact NE-OE1 3.09Å; R95-E160 IonicContact NE-OE2 3.43Å; R95-E160 PolarHBondContact NE-OE2 2.71Å; R95-E160 VanDerWaalsContact NE-OE2 3.15Å; R95-E160 IonicContact NH2-OE1 2.99Å; R95-E160 IonicContact NH2-OE2 2.71Å; R95-E160 PolarHBondContact NH2-OE2 3.41Å; R95-L172 VanDerWaalsContact CB-O 3.25Å; R95-L172 WeakPolarHBondContact CB-O 3.14Å; R95-L172 WeakPolarHBondContact CD-O 3.38Å; R95-L172 WeakPolarHBondContact CG-O 3.27Å; R95-Y174 WeakPolarHBondContact O-CE1 3.21Å; R95-D297 IonicContact NH1-OD2 3.09Å; R95-Y354 HydrophobicContact CG-CD2 4.44Å; R95-Y354 VanDerWaalsContact NH2-CD1 3.3Å; R95-T355 PolarHBondContact N-O 2.82Å; R95-Y356 HydrophobicContact CB-CD1 3.55Å; R95-Y356 HydrophobicContact CB-CE1 3.61Å; R95-Y356 HydrophobicContact CB-CG 4.44Å; R95-Y356 HydrophobicContact CG-CD1 4.5Å; R95-Y356 HydrophobicContact CG-CE1 4.24Å; R95-Y356 PolarHBondContact NH1-OH 2.89Å; R95-Y356 VanDerWaalsContact NH1-OH 3.1Å; R95-D357 PolarHBondContact O-N 3.04Å
96R97.3Very high93.1Very high65 Ų6556.7 Ų56.725%0.24528%0.283CS..  trans-107.9167.9-179.9-62-162.1179.6126.213.7112.5Q94 E105 P173 Y174 D357Q94-R96 PolarHBondContact O-N 3.46Å; R96-E105 IonicContact CZ-OE1 3.76Å; R96-E105 IonicContact NH1-OE1 3.91Å; R96-E105 PolarHBondContact NH1-OE1 3.35Å; R96-E105 IonicContact NH1-OE2 2.65Å; R96-P173 CarbonylContact O-C 3.55Å; R96-P173 WeakPolarHBondContact O-CA 3Å; R96-P173 VanDerWaalsContact O-CB 3.22Å; R96-P173 WeakPolarHBondContact O-CB 3.43Å; R96-Y174 VanDerWaalsContact C-CD1 3.43Å; R96-Y174 VanDerWaalsContact O-CD1 3.28Å; R96-Y174 WeakPolarHBondContact O-CD1 3.37Å; R96-Y174 PolarHBondContact O-N 3.29Å; R96-D357 HydrophobicContact CB-CB 4.45Å; R96-D357 WeakPolarHBondContact CD-OD2 3.49Å; R96-D357 HydrophobicContact CG-CB 3.76Å; R96-D357 IonicContact NE-OD2 2.98Å; R96-D357 PolarHBondContact NE-OD2 3.4Å
97E98Very high94.2Very high0 Ų057 Ų570%027%0.273CS..BIsolated β-bridgetrans-68.2133.3168-149.6-65.513900108.8R99 T100 C101 Y174 D176 M179 P360E97-R99 PolarHBondContact O-N 3.16Å; E97-R99 VanDerWaalsContact O-N 3.11Å; E97-R99 IonicContact OE1-CZ 2.8Å; E97-R99 IonicContact OE1-NE 3.28Å; E97-R99 PolarHBondContact OE1-NE 2.69Å; E97-R99 IonicContact OE1-NH2 2.79Å; E97-R99 PolarHBondContact OE1-NH2 3.05Å; E97-R99 VanDerWaalsContact OE2-CB 3.22Å; E97-R99 WeakPolarHBondContact OE2-CB 3.39Å; E97-R99 IonicContact OE2-CZ 2.72Å; E97-R99 PolarHBondContact OE2-N 3.49Å; E97-R99 IonicContact OE2-NE 3.03Å; E97-R99 PolarHBondContact OE2-NE 3.3Å; E97-R99 IonicContact OE2-NH2 3.83Å; E97-T100 PolarHBondContact N-OG1 2.88Å; E97-T100 WeakPolarHBondContact O-CA 3.41Å; E97-T100 PolarHBondContact O-N 2.65Å; E97-T100 PolarHBondContact O-OG1 2.98Å; E97-C101 PolarHBondContact O-N 3.24Å; E97-Y174 WeakPolarHBondContact CA-O 3.39Å; E97-Y174 HydrophobicContact CB-CD2 4.13Å; E97-Y174 HydrophobicContact CB-CE2 3.55Å; E97-Y174 HydrophobicContact CG-CD2 3.95Å; E97-Y174 HydrophobicContact CG-CE2 3.57Å; E97-D176 HydrophobicContact CG-CB 3.72Å; E97-D176 PolarHBondContact OE1-N 3.09Å; E97-M179 HydrophobicContact CG-SD 4.44Å; E97-P360 HydrophobicContact CB-CG 3.9Å; E97-P360 HydrophobicContact CG-CG 4.29Å
98I97.6Very high95Very high0 Ų050 Ų500%025%0.246CC..G310 helixtrans-51-41.4-173.1-70.8174.5000113.1T100 C101 W106 P173 Y174 W175 I191 F196 F197 F291I98-T100 PolarHBondContact O-N 3.25Å; I98-C101 WeakPolarHBondContact O-CB 3.24Å; I98-C101 PolarHBondContact O-N 3.18Å; I98-C101 VanDerWaalsContact O-N 3.16Å; I98-W106 HydrophobicContact CD1-CZ3 4.14Å; I98-W106 HydrophobicContact CG1-CZ3 4.3Å; I98-W106 HydrophobicContact CG2-CE3 3.93Å; I98-W106 HydrophobicContact CG2-CH2 4.46Å; I98-W106 HydrophobicContact CG2-CZ3 3.82Å; I98-P173 HydrophobicContact CD1-CG 4.24Å; I98-P173 HydrophobicContact CG1-CB 3.59Å; I98-P173 HydrophobicContact CG1-CG 3.56Å; I98-Y174 PolarHBondContact N-O 2.8Å; I98-W175 HydrophobicContact CD1-CB 4.09Å; I98-I191 HydrophobicContact CB-CD1 4.23Å; I98-I191 HydrophobicContact CG2-CD1 3.69Å; I98-F196 HydrophobicContact CG2-CD1 3.58Å; I98-F196 HydrophobicContact CG2-CE1 3.75Å; I98-F197 HydrophobicContact CD1-CE1 3.63Å; I98-F197 HydrophobicContact CD1-CZ 3.6Å; I98-F291 HydrophobicContact CD1-CB 3.81Å; I98-F291 HydrophobicContact CD1-CD1 4.13Å; I98-F291 HydrophobicContact CD1-CD2 3.78Å; I98-F291 HydrophobicContact CD1-CE2 4.38Å; I98-F291 HydrophobicContact CD1-CG 3.64Å
99R97Very high95.6Very high1 Ų148.1 Ų48.10%0.00424%0.238CC..G310 helixtrans-74.9-9-178.3-68.5160.4-70.5-154.3-9112.6E97 D176 D180 I191 S371 L374 S385E97-R99 PolarHBondContact O-N 3.16Å; E97-R99 VanDerWaalsContact O-N 3.11Å; E97-R99 IonicContact OE1-CZ 2.8Å; E97-R99 IonicContact OE1-NE 3.28Å; E97-R99 PolarHBondContact OE1-NE 2.69Å; E97-R99 IonicContact OE1-NH2 2.79Å; E97-R99 PolarHBondContact OE1-NH2 3.05Å; E97-R99 VanDerWaalsContact OE2-CB 3.22Å; E97-R99 WeakPolarHBondContact OE2-CB 3.39Å; E97-R99 IonicContact OE2-CZ 2.72Å; E97-R99 PolarHBondContact OE2-N 3.49Å; E97-R99 IonicContact OE2-NE 3.03Å; E97-R99 PolarHBondContact OE2-NE 3.3Å; E97-R99 IonicContact OE2-NH2 3.83Å; R99-D176 PolarHBondContact NH2-O 2.86Å; R99-D180 IonicContact CZ-OD2 3.62Å; R99-D180 IonicContact NH1-OD1 2.91Å; R99-D180 PolarHBondContact NH1-OD1 3.43Å; R99-D180 IonicContact NH1-OD2 3.06Å; R99-D180 PolarHBondContact NH1-OD2 3.21Å; R99-D180 IonicContact NH2-OD2 2.78Å; R99-D180 PolarHBondContact NH2-OD2 3.45Å; R99-I191 HydrophobicContact CG-CD1 4.35Å; R99-S371 WeakPolarHBondContact O-CB 3.45Å; R99-S371 PolarHBondContact O-OG 3.03Å; R99-L374 HydrophobicContact CB-CD1 4.37Å; R99-L374 HydrophobicContact CB-CD2 3.99Å; R99-L374 HydrophobicContact CB-CG 3.92Å; R99-L374 HydrophobicContact CG-CD2 4.45Å; R99-S385 VanDerWaalsContact NH1-CB 3.26Å; R99-S385 PolarHBondContact NH1-OG 3.17Å
100T96.8Very high96Very high36 Ų3641.6 Ų41.622%0.22121%0.212CC..G310 helixtrans-99-6.6169.5590000114.2E97 I98 P360 L374E97-T100 PolarHBondContact N-OG1 2.88Å; E97-T100 WeakPolarHBondContact O-CA 3.41Å; E97-T100 PolarHBondContact O-N 2.65Å; E97-T100 PolarHBondContact O-OG1 2.98Å; I98-T100 PolarHBondContact O-N 3.25Å; T100-P360 HydrophobicContact CG2-CB 4.2Å; T100-P360 HydrophobicContact CG2-CG 3.45Å; T100-P360 VanDerWaalsContact CG2-CG 3.45Å; T100-L374 HydrophobicContact CG2-CD1 4.06Å
101C95Very high96.3Very high16 Ų1647 Ų4711%0.10824%0.237CC..SBendtrans-64.3141.6164.5-640000109.6E97 I98 E105E97-C101 PolarHBondContact O-N 3.24Å; I98-C101 WeakPolarHBondContact O-CB 3.24Å; I98-C101 PolarHBondContact O-N 3.18Å; I98-C101 VanDerWaalsContact O-N 3.16Å; C101-E105 HydrophobicContact CB-CB 4.27Å
102T94.9Very high96.5Very high75 Ų7542.1 Ų42.146%0.4621%0.212SC..  trans-63.6156.1162.661.50000109.7D104 E105 W106T102-D104 PolarHBondContact O-N 3.29Å; T102-E105 WeakPolarHBondContact CB-OE2 3.3Å; T102-E105 PolarHBondContact N-OE2 2.79Å; T102-E105 PolarHBondContact O-N 3.03Å; T102-E105 WeakPolarHBondContact OG1-CB 3.49Å; T102-E105 VanDerWaalsContact OG1-CD 3.3Å; T102-E105 VanDerWaalsContact OG1-CG 3.25Å; T102-E105 WeakPolarHBondContact OG1-CG 3.28Å; T102-E105 PolarHBondContact OG1-N 2.64Å; T102-E105 PolarHBondContact OG1-OE2 2.93Å; T102-W106 PolarHBondContact O-N 2.77Å
103M93.2Very high96.6Very high48 Ų4839.2 Ų39.224%0.23619%0.193CC..Hα-helixtrans-64.9-24.7175.1-70.1-54.5-61.400112.4H107 F196 Y373M103-H107 WeakPolarHBondContact O-CB 3.39Å; M103-H107 VanDerWaalsContact O-CG 3.32Å; M103-H107 PolarHBondContact O-N 2.92Å; M103-H107 PolarHBondContact O-ND1 3.04Å; M103-F196 HydrophobicContact SD-CZ 4.33Å; M103-Y373 WeakPolarHBondContact CG-OH 3.42Å; M103-Y373 HydrophobicContact SD-CE2 4.08Å; M103-Y373 PolarHBondContact SD-OH 3.07Å
104D96Very high96.6Very high97 Ų9741.8 Ų41.852%0.51921%0.206SC..Hα-helixtrans-65.5-53.6171.7-177.171.6000111.3T102 W106 H107 R108T102-D104 PolarHBondContact O-N 3.29Å; D104-W106 PolarHBondContact O-N 2.88Å; D104-H107 PolarHBondContact O-N 3.23Å; D104-H107 VanDerWaalsContact O-N 3.15Å; D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 3.26Å; D104-R108 WeakPolarHBondContact OD2-CD 3.38Å; D104-R108 IonicContact OD2-NH1 3.67Å
105E95.9Very high96.6Very high68 Ų6841.3 Ų41.332%0.31820%0.201SC..Hα-helixtrans-53.7-42.6175.9-72.1162.414100111.4R96 C101 T102 L109R96-E105 IonicContact CZ-OE1 3.76Å; R96-E105 IonicContact NH1-OE1 3.91Å; R96-E105 PolarHBondContact NH1-OE1 3.35Å; R96-E105 IonicContact NH1-OE2 2.65Å; C101-E105 HydrophobicContact CB-CB 4.27Å; T102-E105 WeakPolarHBondContact CB-OE2 3.3Å; T102-E105 PolarHBondContact N-OE2 2.79Å; T102-E105 PolarHBondContact O-N 3.03Å; T102-E105 WeakPolarHBondContact OG1-CB 3.49Å; T102-E105 VanDerWaalsContact OG1-CD 3.3Å; T102-E105 VanDerWaalsContact OG1-CG 3.25Å; T102-E105 WeakPolarHBondContact OG1-CG 3.28Å; T102-E105 PolarHBondContact OG1-N 2.64Å; T102-E105 PolarHBondContact OG1-OE2 2.93Å; E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 PolarHBondContact O-N 3.16Å
106W95.9Very high96.6Very high3 Ų341.3 Ų41.31%0.01120%0.201CC..Hα-helixtrans-67.5-44.7177.2177.8-106.9000113.4I98 T102 D104 L109 V110 A195 F196 F197 F291I98-W106 HydrophobicContact CD1-CZ3 4.14Å; I98-W106 HydrophobicContact CG1-CZ3 4.3Å; I98-W106 HydrophobicContact CG2-CE3 3.93Å; I98-W106 HydrophobicContact CG2-CH2 4.46Å; I98-W106 HydrophobicContact CG2-CZ3 3.82Å; T102-W106 PolarHBondContact O-N 2.77Å; D104-W106 PolarHBondContact O-N 2.88Å; W106-L109 HydrophobicContact CE3-CD2 3.77Å; W106-L109 HydrophobicContact CZ3-CD2 3.8Å; W106-L109 PolarHBondContact O-N 2.78Å; W106-V110 HydrophobicContact CD2-CG2 4.3Å; W106-V110 HydrophobicContact CZ2-CG2 3.96Å; W106-V110 WeakPolarHBondContact O-CB 3.36Å; W106-V110 WeakPolarHBondContact O-CG2 3.22Å; W106-V110 PolarHBondContact O-N 2.83Å; W106-A195 PolarHBondContact NE1-O 2.84Å; W106-F196 HydrophobicContact CD2-CD1 4.19Å; W106-F196 AromaticContact CE2-CD1 3.98Å; W106-F196 HydrophobicContact CZ2-CB 4.42Å; W106-F196 HydrophobicContact CZ2-CD1 4.28Å; W106-F197 HydrophobicContact CH2-CD1 4.11Å; W106-F197 HydrophobicContact CH2-CE1 4.01Å; W106-F291 AromaticContact CH2-CE2 3.98Å; W106-F291 HydrophobicContact CH2-CE2 3.98Å; W106-F291 HydrophobicContact CH2-CZ 4.06Å; W106-F291 HydrophobicContact CZ3-CE2 4.25Å; W106-F291 HydrophobicContact CZ3-CZ 4.01Å
107H96.7Very high96.6Very high113 Ų11339.2 Ų39.252%0.52319%0.193SC..Hα-helixtrans-66.5-38.3177.6-74.3110.9000112.1M103 D104 V110 Q111M103-H107 WeakPolarHBondContact O-CB 3.39Å; M103-H107 VanDerWaalsContact O-CG 3.32Å; M103-H107 PolarHBondContact O-N 2.92Å; M103-H107 PolarHBondContact O-ND1 3.04Å; D104-H107 PolarHBondContact O-N 3.23Å; D104-H107 VanDerWaalsContact O-N 3.15Å; H107-V110 PolarHBondContact O-N 2.04Å; H107-Q111 WeakPolarHBondContact O-CB 3.29Å; H107-Q111 PolarHBondContact O-N 2.03Å
108R96.7Very high96.5Very high69 Ų6945.2 Ų45.226%0.2622%0.221SC..Hα-helixtrans-63.2-44.5174.7-70.5175.164.8179.63111.6D104 Q111 A112 D167 D169 V170D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 3.26Å; D104-R108 WeakPolarHBondContact OD2-CD 3.38Å; D104-R108 IonicContact OD2-NH1 3.67Å; R108-Q111 PolarHBondContact O-N 2.82Å; R108-A112 WeakPolarHBondContact O-CB 3.49Å; R108-A112 PolarHBondContact O-N 3.04Å; R108-D167 IonicContact CZ-OD1 2.75Å; R108-D167 IonicContact CZ-OD2 2.83Å; R108-D167 IonicContact NE-OD2 3.38Å; R108-D167 PolarHBondContact NE-OD2 2.96Å; R108-D167 VanDerWaalsContact NH2-CG 3.25Å; R108-D167 IonicContact NH2-OD1 2.65Å; R108-D167 PolarHBondContact NH2-OD1 2.6Å; R108-D167 IonicContact NH2-OD2 2.76Å; R108-D167 PolarHBondContact NH2-OD2 2.9Å; R108-D169 IonicContact CZ-OD2 3.22Å; R108-D169 IonicContact NH2-OD2 2.86Å; R108-D169 PolarHBondContact NH2-OD2 2.95Å; R108-V170 HydrophobicContact CB-CG1 3.74Å
109L97.4Very high96.4Very high4 Ų447.8 Ų47.82%0.02124%0.235CC..Hα-helixtrans-57.2-49.6172.1169.567.7000111.7E105 W106 Q111 A112 L113 L163 P173 F291E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 PolarHBondContact O-N 3.16Å; W106-L109 HydrophobicContact CE3-CD2 3.77Å; W106-L109 HydrophobicContact CZ3-CD2 3.8Å; W106-L109 PolarHBondContact O-N 2.78Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 2.72Å; L109-A112 PolarHBondContact O-N 2.8Å; L109-L113 HydrophobicContact CD1-CD1 4.18Å; L109-L113 HydrophobicContact CD1-CG 4.34Å; L109-L113 HydrophobicContact CG-CD1 4.15Å; L109-L113 WeakPolarHBondContact O-CB 3.36Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 2.8Å; L109-L163 HydrophobicContact CD1-CD1 4.28Å; L109-L163 HydrophobicContact CD1-CD2 3.57Å; L109-P173 HydrophobicContact CD2-CG 3.51Å; L109-F291 HydrophobicContact CD2-CE1 4.04Å; L109-F291 HydrophobicContact CD2-CZ 4.27Å
110V97.3Very high96.4Very high22 Ų2253.2 Ų53.213%0.13326%0.26CS..Hα-helixtrans-59.3-43.1177.3161.70000111.5W106 H107 L113 D114 P208 F209W106-V110 HydrophobicContact CD2-CG2 4.3Å; W106-V110 HydrophobicContact CZ2-CG2 3.96Å; W106-V110 WeakPolarHBondContact O-CB 3.36Å; W106-V110 WeakPolarHBondContact O-CG2 3.22Å; W106-V110 PolarHBondContact O-N 2.83Å; H107-V110 PolarHBondContact O-N 2.04Å; V110-L113 PolarHBondContact O-N 2.88Å; V110-D114 WeakPolarHBondContact O-CB 3.16Å; V110-D114 PolarHBondContact O-N 2.8Å; V110-P208 HydrophobicContact CB-CB 4.43Å; V110-P208 HydrophobicContact CG1-CB 3.47Å; V110-P208 VanDerWaalsContact CG1-CB 3.47Å; V110-P208 HydrophobicContact CG1-CG 4.4Å; V110-P208 HydrophobicContact CG2-CB 4.02Å; V110-P208 HydrophobicContact CG2-CG 4.06Å; V110-F209 HydrophobicContact CG2-CE1 4.41Å; V110-F209 HydrophobicContact CG2-CZ 4.19Å
111Q96.9Very high96.4Very high119 Ų11952.8 Ų52.856%0.55626%0.256SS*.Hα-helixtrans-65.9-42178.3-171-177.24000111.8H107 R108 L109 D114 R115H107-Q111 WeakPolarHBondContact O-CB 3.29Å; H107-Q111 PolarHBondContact O-N 2.03Å; R108-Q111 PolarHBondContact O-N 2.82Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 2.72Å; Q111-D114 PolarHBondContact O-N 2.79Å; Q111-R115 WeakPolarHBondContact O-CB 3.31Å; Q111-R115 VanDerWaalsContact O-CG 3.24Å; Q111-R115 WeakPolarHBondContact O-CG 3.41Å; Q111-R115 PolarHBondContact O-N 2.99Å
112A97Very high96.5Very high2 Ų256.3 Ų56.32%0.01727%0.274CS..Hα-helixtrans-65.4-39.317600000112R108 L109 M116 L163 D167 V170R108-A112 WeakPolarHBondContact O-CB 3.49Å; R108-A112 PolarHBondContact O-N 3.04Å; L109-A112 PolarHBondContact O-N 2.8Å; A112-M116 WeakPolarHBondContact O-CB 3.4Å; A112-M116 PolarHBondContact O-N 3.47Å; A112-L163 HydrophobicContact CB-CD1 3.53Å; A112-L163 HydrophobicContact CB-CG 4.13Å; A112-D167 HydrophobicContact CB-CB 4.32Å; A112-V170 HydrophobicContact CB-CG2 4.18Å
113L97.7Very high96.5Very high1 Ų155.5 Ų55.51%0.00528%0.281CS..Hα-helixtrans-61.3-46.5171.8-76170.6000111.8L109 V110 M116 K117 Y127 F159 L163 F209 W212 F291L109-L113 HydrophobicContact CD1-CD1 4.18Å; L109-L113 HydrophobicContact CD1-CG 4.34Å; L109-L113 HydrophobicContact CG-CD1 4.15Å; L109-L113 WeakPolarHBondContact O-CB 3.36Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 2.8Å; V110-L113 PolarHBondContact O-N 2.88Å; L113-M116 HydrophobicContact CD2-CE 4.31Å; L113-M116 PolarHBondContact O-N 2.97Å; L113-K117 WeakPolarHBondContact O-CB 3.4Å; L113-K117 PolarHBondContact O-N 3.33Å; L113-Y127 HydrophobicContact CD2-CE2 4.33Å; L113-F159 HydrophobicContact CD2-CE1 3.86Å; L113-F159 HydrophobicContact CD2-CZ 3.49Å; L113-F159 VanDerWaalsContact CD2-CZ 3.49Å; L113-L163 HydrophobicContact CB-CD1 4.48Å; L113-L163 HydrophobicContact CD2-CD1 3.86Å; L113-L163 HydrophobicContact CG-CD1 3.8Å; L113-F209 HydrophobicContact CD1-CE1 4.02Å; L113-F209 HydrophobicContact CD1-CZ 4.04Å; L113-W212 HydrophobicContact CB-CH2 4.1Å; L113-W212 HydrophobicContact CB-CZ2 4.1Å; L113-F291 HydrophobicContact CD1-CZ 4.22Å
114D96.8Very high96.6Very high57 Ų5754.5 Ų54.531%0.30528%0.276SS..Hα-helixtrans-67.6-38.4-179.3-164.872.4000112V110 Q111 M116 K117 H118 W212V110-D114 WeakPolarHBondContact O-CB 3.16Å; V110-D114 PolarHBondContact O-N 2.8Å; Q111-D114 PolarHBondContact O-N 2.79Å; D114-M116 PolarHBondContact O-N 3.27Å; D114-K117 PolarHBondContact O-N 2.9Å; D114-H118 PolarHBondContact O-N 3.37Å; D114-H118 PolarHBondContact O-ND1 2.91Å; D114-H118 IonicContact OD1-CE1 3.12Å; D114-H118 PolarHBondContact OD1-CE1 3.43Å; D114-H118 IonicContact OD1-ND1 2.75Å; D114-H118 IonicContact OD2-CE1 2.83Å; D114-H118 PolarHBondContact OD2-CE1 3.2Å; D114-H118 IonicContact OD2-ND1 3.86Å; D114-H118 PolarHBondContact OD2-ND1 3.2Å; D114-H118 VanDerWaalsContact OD2-ND1 3.12Å; D114-W212 PolarHBondContact OD1-NE1 3.43Å
115R96.7Very high96.6Very high71 Ų7150 Ų5027%0.26825%0.252SS..Hα-helixtrans-59.8-43.9170.2-72.3172.967.6-177.9-2.3111.5D83 Q111 K117 H118 D119 Y166D83-R115 VanDerWaalsContact CG-NH2 3.32Å; D83-R115 IonicContact OD1-CZ 2.69Å; D83-R115 IonicContact OD1-NH1 3.33Å; D83-R115 PolarHBondContact OD1-NH1 2.94Å; D83-R115 IonicContact OD1-NH2 3.86Å; D83-R115 PolarHBondContact OD1-NH2 3.12Å; D83-R115 VanDerWaalsContact OD1-NH2 3.14Å; D83-R115 IonicContact OD2-CZ 3.4Å; D83-R115 IonicContact OD2-NH1 2.65Å; D83-R115 IonicContact OD2-NH2 3.14Å; D83-R115 PolarHBondContact OD2-NH2 3.22Å; Q111-R115 WeakPolarHBondContact O-CB 3.31Å; Q111-R115 VanDerWaalsContact O-CG 3.24Å; Q111-R115 WeakPolarHBondContact O-CG 3.41Å; Q111-R115 PolarHBondContact O-N 2.99Å; R115-K117 VanDerWaalsContact C-N 3.3Å; R115-K117 PolarHBondContact O-N 3.03Å; R115-H118 PolarHBondContact O-N 3.42Å; R115-D119 WeakPolarHBondContact O-CB 3.2Å; R115-D119 PolarHBondContact O-N 2.77Å; R115-Y166 HydrophobicContact CB-CD1 3.66Å; R115-Y166 HydrophobicContact CB-CE1 4.25Å; R115-Y166 HydrophobicContact CB-CG 3.85Å; R115-Y166 PolarHBondContact NH1-O 3.33Å
116M97.1Very high96.7Very high0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-65.9-29.2175.5-168.8165.667.300113.8A112 L113 D114 K126 Y127 L130 F159 A162 Y166A112-M116 WeakPolarHBondContact O-CB 3.4Å; A112-M116 PolarHBondContact O-N 3.47Å; L113-M116 HydrophobicContact CD2-CE 4.31Å; L113-M116 PolarHBondContact O-N 2.97Å; D114-M116 PolarHBondContact O-N 3.27Å; M116-K126 HydrophobicContact CG-CB 3.95Å; M116-K126 PolarHBondContact O-N 2.77Å; M116-Y127 HydrophobicContact CE-CD2 3.82Å; M116-Y127 PolarHBondContact O-N 3.36Å; M116-L130 HydrophobicContact CE-CD1 4.49Å; M116-L130 HydrophobicContact SD-CD1 4.37Å; M116-F159 HydrophobicContact CE-CD2 3.99Å; M116-F159 HydrophobicContact CE-CE1 4.33Å; M116-F159 HydrophobicContact CE-CE2 3.42Å; M116-F159 VanDerWaalsContact CE-CE2 3.42Å; M116-F159 HydrophobicContact CE-CZ 3.64Å; M116-A162 HydrophobicContact SD-CB 3.6Å; M116-Y166 HydrophobicContact CB-CD2 3.96Å; M116-Y166 HydrophobicContact CB-CE2 3.4Å; M116-Y166 VanDerWaalsContact CB-CE2 3.4Å; M116-Y166 HydrophobicContact CG-CE2 3.7Å; M116-Y166 HydrophobicContact SD-CE2 4.19Å
117K97.2Very high96.8Very high21 Ų2148.2 Ų48.29%0.09124%0.243CC..Hα-helixtrans-78.8-19.9176.4-173.157.4172.2165.60112.9L113 D114 R115 S125 Y127 D128 W212 K213L113-K117 WeakPolarHBondContact O-CB 3.4Å; L113-K117 PolarHBondContact O-N 3.33Å; D114-K117 PolarHBondContact O-N 2.9Å; R115-K117 VanDerWaalsContact C-N 3.3Å; R115-K117 PolarHBondContact O-N 3.03Å; K117-S125 WeakPolarHBondContact O-CB 3.37Å; K117-Y127 HydrophobicContact CD-CD1 4.06Å; K117-Y127 HydrophobicContact CD-CG 4.05Å; K117-D128 IonicContact NZ-OD1 2.87Å; K117-D128 PolarHBondContact NZ-OD1 3.27Å; K117-D128 IonicContact NZ-OD2 3.92Å; K117-D128 PolarHBondContact NZ-OD2 2.8Å; K117-W212 HydrophobicContact CB-CH2 4.22Å; K117-W212 HydrophobicContact CB-CZ2 3.84Å; K117-W212 HydrophobicContact CD-CD2 4.48Å; K117-W212 HydrophobicContact CD-CE3 4.38Å; K117-W212 HydrophobicContact CG-CD2 3.9Å; K117-W212 HydrophobicContact CG-CE3 4.24Å; K117-W212 HydrophobicContact CG-CG 4.26Å; K117-W212 HydrophobicContact CG-CH2 4.41Å; K117-W212 HydrophobicContact CG-CZ2 4.1Å; K117-W212 HydrophobicContact CG-CZ3 4.47Å; K117-K213 VanDerWaalsContact CE-O 3.23Å; K117-K213 WeakPolarHBondContact CE-O 3.46Å; K117-K213 PolarHBondContact NZ-O 3.44Å
118H95.6Very high96.8Very high127 Ų12743.5 Ų43.559%0.58822%0.222SC*.Hα-helixtrans-100.6-24.8175.3-70.698.9000114.5D114 R115D114-H118 PolarHBondContact O-N 3.37Å; D114-H118 PolarHBondContact O-ND1 2.91Å; D114-H118 IonicContact OD1-CE1 3.12Å; D114-H118 PolarHBondContact OD1-CE1 3.43Å; D114-H118 IonicContact OD1-ND1 2.75Å; D114-H118 IonicContact OD2-CE1 2.83Å; D114-H118 PolarHBondContact OD2-CE1 3.2Å; D114-H118 IonicContact OD2-ND1 3.86Å; D114-H118 PolarHBondContact OD2-ND1 3.2Å; D114-H118 VanDerWaalsContact OD2-ND1 3.12Å; R115-H118 PolarHBondContact O-N 3.42Å
119D95.9Very high96.8Very high54 Ų5440.2 Ų40.229%0.28921%0.21SC..  trans-75.1123.2175.1-175.3-20.1000110.8R115 S125 K126 Y166R115-D119 WeakPolarHBondContact O-CB 3.2Å; R115-D119 PolarHBondContact O-N 2.77Å; D119-S125 CarbonylContact O-C 3.52Å; D119-S125 VanDerWaalsContact O-CA 3.29Å; D119-S125 WeakPolarHBondContact O-CA 3.12Å; D119-K126 HydrophobicContact CB-CD 4.23Å; D119-K126 PolarHBondContact O-N 2.87Å; D119-K126 WeakPolarHBondContact OD1-CE 3.44Å; D119-K126 IonicContact OD1-NZ 3.66Å; D119-K126 PolarHBondContact OD1-NZ 3.24Å; D119-K126 IonicContact OD2-NZ 3.89Å; D119-K126 PolarHBondContact OD2-NZ 3.07Å; D119-Y166 HydrophobicContact CB-CE1 4.02Å; D119-Y166 WeakPolarHBondContact CB-OH 3.22Å; D119-Y166 WeakPolarHBondContact OD2-CE1 3.49Å; D119-Y166 PolarHBondContact OD2-OH 2.95Å; D119-Y166 VanDerWaalsContact OD2-OH 3.04Å
120Q96.8Very high96.7Very high115 Ų11540 Ų4054%0.53721%0.209SC..EExtended strand (participates in β ladder)trans-119.8148.4-169.2-61.2-173-3.500114.1M124Q120-M124 CarbonylContact C-O 2.95Å; Q120-M124 WeakPolarHBondContact CA-O 3.01Å; Q120-M124 WeakPolarHBondContact CB-O 3.45Å
121I97.3Very high96.6Very high26 Ų2639 Ų3913%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-121.6122.6165.8-53.5176.2000107.3N54 Q55 W58 G123 M124 K126 I129N54-I121 HydrophobicContact CB-CG2 3.64Å; Q55-I121 HydrophobicContact CG-CB 3.97Å; Q55-I121 HydrophobicContact CG-CG2 3.78Å; Q55-I121 PolarHBondContact NE2-O 2.03Å; W58-I121 HydrophobicContact CB-CD1 3.43Å; W58-I121 VanDerWaalsContact CB-CD1 3.43Å; W58-I121 HydrophobicContact CD2-CD1 3.74Å; W58-I121 HydrophobicContact CE3-CD1 4.19Å; W58-I121 HydrophobicContact CG-CD1 3.38Å; I121-G123 PolarHBondContact O-N 2.88Å; I121-G123 VanDerWaalsContact O-N 3.17Å; I121-M124 PolarHBondContact N-O 3.35Å; I121-M124 PolarHBondContact O-N 3.42Å; I121-M124 VanDerWaalsContact O-N 3.14Å; I121-K126 HydrophobicContact CD1-CG 4.07Å; I121-K126 HydrophobicContact CG1-CG 4.16Å; I121-I129 HydrophobicContact CB-CD1 4.01Å; I121-I129 HydrophobicContact CD1-CD1 4.09Å; I121-I129 HydrophobicContact CG1-CD1 4.28Å
122D97.1Very high96.5Very high90 Ų9033.7 Ų33.748%0.48118%0.178SC..THydrogen-bonded Turntrans49.139.1-178.8-53.7-21.1000114T52 N54T52-D122 WeakPolarHBondContact CB-OD2 3.26Å; T52-D122 HydrophobicContact CG2-CB 3.86Å; T52-D122 WeakPolarHBondContact CG2-OD2 3.2Å; T52-D122 PolarHBondContact OG1-OD2 2.88Å; N54-D122 WeakPolarHBondContact CB-OD2 3.42Å; N54-D122 PolarHBondContact ND2-OD1 2.98Å; N54-D122 VanDerWaalsContact ND2-OD1 3.13Å; N54-D122 PolarHBondContact ND2-OD2 3.36Å
123G94.9Very high96.3Very high59 Ų5933.6 Ų33.661%0.60818%0.177SC*.THydrogen-bonded Turntrans84.82.4176.500000116.3I121I121-G123 PolarHBondContact O-N 2.88Å; I121-G123 VanDerWaalsContact O-N 3.17Å
124M95Very high96.2Very high27 Ų2733.8 Ų33.813%0.13318%0.178CC..EExtended strand (participates in β ladder)trans-112.9137.2173.6-173.3-178.4-68.800110.1V49 L51 Q120 I121 D128 I129 I132V49-M124 HydrophobicContact CG1-CE 3.57Å; L51-M124 HydrophobicContact CD2-CE 4.49Å; L51-M124 HydrophobicContact CD2-SD 4Å; Q120-M124 CarbonylContact C-O 2.95Å; Q120-M124 WeakPolarHBondContact CA-O 3.01Å; Q120-M124 WeakPolarHBondContact CB-O 3.45Å; I121-M124 PolarHBondContact N-O 3.35Å; I121-M124 PolarHBondContact O-N 3.42Å; I121-M124 VanDerWaalsContact O-N 3.14Å; M124-D128 HydrophobicContact CG-CB 3.67Å; M124-D128 HydrophobicContact SD-CB 4.31Å; M124-I129 HydrophobicContact CB-CG1 4.33Å; M124-I129 HydrophobicContact CG-CG1 3.95Å; M124-I129 HydrophobicContact SD-CB 4.37Å; M124-I129 HydrophobicContact SD-CG1 3.65Å; M124-I132 HydrophobicContact CE-CG1 4.32Å; M124-I132 HydrophobicContact SD-CG1 4.24Å
125S97Very high95.8Very high2 Ų231.4 Ų31.41%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-66.8151.2176.879.90000111.9K117 D119 Y127 D128 I129K117-S125 WeakPolarHBondContact O-CB 3.37Å; D119-S125 CarbonylContact O-C 3.52Å; D119-S125 VanDerWaalsContact O-CA 3.29Å; D119-S125 WeakPolarHBondContact O-CA 3.12Å; S125-Y127 PolarHBondContact O-N 3Å; S125-D128 PolarHBondContact O-N 2.95Å; S125-D128 VanDerWaalsContact OG-CB 3.31Å; S125-D128 WeakPolarHBondContact OG-CB 3.41Å; S125-D128 PolarHBondContact OG-N 2.94Å; S125-D128 PolarHBondContact OG-OD2 2.79Å; S125-I129 WeakPolarHBondContact O-CG1 3.46Å; S125-I129 PolarHBondContact O-N 3.03Å
126K97.5Very high95.4Very high34 Ų3428.5 Ų28.515%0.14816%0.156CC..Hα-helixtrans-60.4-34.1175.9-78.5166.7176.3159.90112.5W58 M116 D119 I121 L130 Y166W58-K126 HydrophobicContact CD2-CG 4.28Å; W58-K126 HydrophobicContact CH2-CB 3.67Å; W58-K126 HydrophobicContact CH2-CG 3.95Å; W58-K126 WeakPolarHBondContact CH2-O 3.39Å; W58-K126 HydrophobicContact CZ2-CB 3.71Å; W58-K126 HydrophobicContact CZ2-CD 3.95Å; W58-K126 HydrophobicContact CZ2-CG 3.68Å; W58-K126 HydrophobicContact CZ3-CB 4.33Å; W58-K126 HydrophobicContact CZ3-CG 4.37Å; M116-K126 HydrophobicContact CG-CB 3.95Å; M116-K126 PolarHBondContact O-N 2.77Å; D119-K126 HydrophobicContact CB-CD 4.23Å; D119-K126 PolarHBondContact O-N 2.87Å; D119-K126 WeakPolarHBondContact OD1-CE 3.44Å; D119-K126 IonicContact OD1-NZ 3.66Å; D119-K126 PolarHBondContact OD1-NZ 3.24Å; D119-K126 IonicContact OD2-NZ 3.89Å; D119-K126 PolarHBondContact OD2-NZ 3.07Å; I121-K126 HydrophobicContact CD1-CG 4.07Å; I121-K126 HydrophobicContact CG1-CG 4.16Å; K126-L130 PolarHBondContact O-N 2.74Å; K126-Y166 WeakPolarHBondContact CD-OH 3.4Å
127Y97.7Very high94.9Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-59.3-47.9169.3-173.3-74.4000111.6L113 M116 K117 S125 I129 L130 T131 F159 W212 P284 Y290L113-Y127 HydrophobicContact CD2-CE2 4.33Å; M116-Y127 HydrophobicContact CE-CD2 3.82Å; M116-Y127 PolarHBondContact O-N 3.36Å; K117-Y127 HydrophobicContact CD-CD1 4.06Å; K117-Y127 HydrophobicContact CD-CG 4.05Å; S125-Y127 PolarHBondContact O-N 3Å; Y127-I129 VanDerWaalsContact C-N 3.35Å; Y127-I129 PolarHBondContact O-N 3.18Å; Y127-L130 WeakPolarHBondContact O-CB 3.01Å; Y127-L130 PolarHBondContact O-N 3.03Å; Y127-L130 VanDerWaalsContact O-N 3.16Å; Y127-T131 PolarHBondContact O-N 2.94Å; Y127-T131 PolarHBondContact O-OG1 2.94Å; Y127-F159 HydrophobicContact CD2-CE2 4.13Å; Y127-F159 HydrophobicContact CD2-CZ 4.38Å; Y127-F159 AromaticContact CE2-CE2 3.98Å; Y127-F159 HydrophobicContact CE2-CE2 3.98Å; Y127-F159 HydrophobicContact CE2-CZ 4.03Å; Y127-W212 AromaticContact CD2-CH2 3.9Å; Y127-W212 HydrophobicContact CD2-CH2 3.9Å; Y127-W212 HydrophobicContact CD2-CZ3 4.03Å; Y127-W212 HydrophobicContact CE1-CZ3 4.1Å; Y127-W212 AromaticContact CE2-CH2 3.6Å; Y127-W212 HydrophobicContact CE2-CH2 3.6Å; Y127-W212 AromaticContact CE2-CZ3 3.5Å; Y127-W212 HydrophobicContact CE2-CZ3 3.5Å; Y127-W212 VanDerWaalsContact CE2-CZ3 3.5Å; Y127-W212 AromaticContact CZ-CZ3 3.54Å; Y127-P284 WeakPolarHBondContact CE1-O 2.96Å; Y127-P284 PolarHBondContact OH-O 2.96Å; Y127-Y290 HydrophobicContact CE2-CE2 4.16Å; Y127-Y290 AromaticContact CZ-CE2 3.83Å; Y127-Y290 WeakPolarHBondContact OH-CE2 3.2Å
128D96.2Very high94.6Very high14 Ų1433.6 Ų33.68%0.07518%0.184CC..Hα-helixtrans-69.5-29.9-177.6-69.7-37.8000113.2K117 M124 S125 L130 T131 I132 L215K117-D128 IonicContact NZ-OD1 2.87Å; K117-D128 PolarHBondContact NZ-OD1 3.27Å; K117-D128 IonicContact NZ-OD2 3.92Å; K117-D128 PolarHBondContact NZ-OD2 2.8Å; M124-D128 HydrophobicContact CG-CB 3.67Å; M124-D128 HydrophobicContact SD-CB 4.31Å; S125-D128 PolarHBondContact O-N 2.95Å; S125-D128 VanDerWaalsContact OG-CB 3.31Å; S125-D128 WeakPolarHBondContact OG-CB 3.41Å; S125-D128 PolarHBondContact OG-N 2.94Å; S125-D128 PolarHBondContact OG-OD2 2.79Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-T131 WeakPolarHBondContact O-CB 3.38Å; D128-T131 PolarHBondContact O-N 3.16Å; D128-I132 WeakPolarHBondContact O-CG1 3.39Å; D128-I132 PolarHBondContact O-N 2.88Å; D128-L215 HydrophobicContact CB-CD1 3.99Å; D128-L215 HydrophobicContact CB-CD2 4.07Å; D128-L215 HydrophobicContact CB-CG 4.19Å
129I97Very high94.6Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-60.8-44.5170.4-64164.9000110.1L51 Q55 W58 I121 M124 S125 Y127 I132 I133L51-I129 HydrophobicContact CD1-CG2 4.23Å; L51-I129 HydrophobicContact CD2-CB 4.48Å; L51-I129 HydrophobicContact CD2-CG1 4.4Å; L51-I129 HydrophobicContact CD2-CG2 4.02Å; Q55-I129 HydrophobicContact CB-CD1 3.91Å; Q55-I129 HydrophobicContact CB-CG1 4.25Å; Q55-I129 HydrophobicContact CB-CG2 4.39Å; Q55-I129 HydrophobicContact CG-CD1 3.63Å; Q55-I129 HydrophobicContact CG-CG1 4.08Å; W58-I129 HydrophobicContact CE3-CB 4.41Å; W58-I129 HydrophobicContact CE3-CD1 4.06Å; W58-I129 HydrophobicContact CE3-CG2 3.95Å; W58-I129 HydrophobicContact CZ3-CB 3.88Å; W58-I129 HydrophobicContact CZ3-CD1 4.18Å; W58-I129 HydrophobicContact CZ3-CG2 3.69Å; I121-I129 HydrophobicContact CB-CD1 4.01Å; I121-I129 HydrophobicContact CD1-CD1 4.09Å; I121-I129 HydrophobicContact CG1-CD1 4.28Å; M124-I129 HydrophobicContact CB-CG1 4.33Å; M124-I129 HydrophobicContact CG-CG1 3.95Å; M124-I129 HydrophobicContact SD-CB 4.37Å; M124-I129 HydrophobicContact SD-CG1 3.65Å; S125-I129 WeakPolarHBondContact O-CG1 3.46Å; S125-I129 PolarHBondContact O-N 3.03Å; Y127-I129 VanDerWaalsContact C-N 3.35Å; Y127-I129 PolarHBondContact O-N 3.18Å; I129-I132 PolarHBondContact O-N 3.08Å; I129-I133 HydrophobicContact CG2-CD1 3.83Å; I129-I133 WeakPolarHBondContact O-CD1 3.08Å; I129-I133 WeakPolarHBondContact O-CG1 3.16Å; I129-I133 PolarHBondContact O-N 3.11Å
130L96.4Very high94.4Very high0 Ų025.7 Ų25.70%015%0.147CC..Hα-helixtrans-65.6-37.8176.8-65171.5000111.8W58 F59 M116 K126 Y127 D128 I133 H134 F155 F159 A162W58-L130 HydrophobicContact CH2-CD1 4.07Å; W58-L130 HydrophobicContact CH2-CD2 4.25Å; W58-L130 HydrophobicContact CH2-CG 3.94Å; W58-L130 HydrophobicContact CZ3-CD2 4.31Å; W58-L130 HydrophobicContact CZ3-CG 4.21Å; F59-L130 HydrophobicContact CD2-CD2 4.02Å; F59-L130 HydrophobicContact CE2-CD2 4.4Å; M116-L130 HydrophobicContact CE-CD1 4.49Å; M116-L130 HydrophobicContact SD-CD1 4.37Å; K126-L130 PolarHBondContact O-N 2.74Å; Y127-L130 WeakPolarHBondContact O-CB 3.01Å; Y127-L130 PolarHBondContact O-N 3.03Å; Y127-L130 VanDerWaalsContact O-N 3.16Å; D128-L130 VanDerWaalsContact C-N 3.33Å; L130-I133 HydrophobicContact CD2-CD1 4.16Å; L130-I133 WeakPolarHBondContact O-CB 3.46Å; L130-I133 PolarHBondContact O-N 3.13Å; L130-H134 PolarHBondContact O-N 3.04Å; L130-F155 HydrophobicContact CB-CE2 4.26Å; L130-F155 HydrophobicContact CB-CZ 4.18Å; L130-F155 HydrophobicContact CD2-CE2 4.34Å; L130-F155 WeakPolarHBondContact O-CE2 3.39Å; L130-F155 VanDerWaalsContact O-CZ 3.31Å; L130-F155 WeakPolarHBondContact O-CZ 3.44Å; L130-F159 HydrophobicContact CD1-CB 4.49Å; L130-F159 HydrophobicContact CD1-CD2 3.7Å; L130-F159 HydrophobicContact CD1-CE2 4.44Å; L130-F159 HydrophobicContact CD1-CG 4.47Å; L130-A162 HydrophobicContact CD1-CB 4.02Å
131T94.8Very high94.2Very high1 Ų120.5 Ų20.51%0.00613%0.125CC..Hα-helixtrans-56.7-51169.7-60.50000111.8Y127 D128 I133 H134 L215 P284 E285Y127-T131 PolarHBondContact O-N 2.94Å; Y127-T131 PolarHBondContact O-OG1 2.94Å; D128-T131 WeakPolarHBondContact O-CB 3.38Å; D128-T131 PolarHBondContact O-N 3.16Å; T131-I133 VanDerWaalsContact C-N 3.28Å; T131-I133 PolarHBondContact O-N 3.36Å; T131-H134 WeakPolarHBondContact O-CB 3.35Å; T131-H134 PolarHBondContact O-N 3.4Å; T131-L215 HydrophobicContact CG2-CD1 4.33Å; T131-P284 HydrophobicContact CG2-CB 4.2Å; T131-E285 HydrophobicContact CG2-CG 3.39Å
132I93.8Very high94.1Very high6 Ų619.3 Ų19.33%0.03112%0.119CC..Hα-helixtrans-62.9-36.1-180-69.1-54.6000111.6V49 L51 M124 D128 I129 H134 S135 Y138 L215V49-I132 HydrophobicContact CB-CD1 3.82Å; V49-I132 HydrophobicContact CB-CG1 4.28Å; V49-I132 HydrophobicContact CB-CG2 4.4Å; V49-I132 HydrophobicContact CG1-CD1 4.19Å; V49-I132 HydrophobicContact CG1-CG1 4.17Å; V49-I132 HydrophobicContact CG2-CD1 4Å; L51-I132 HydrophobicContact CD1-CG2 4.38Å; L51-I132 HydrophobicContact CD2-CB 4.19Å; L51-I132 HydrophobicContact CD2-CG2 3.84Å; L51-I132 HydrophobicContact CG-CG2 3.95Å; M124-I132 HydrophobicContact CE-CG1 4.32Å; M124-I132 HydrophobicContact SD-CG1 4.24Å; D128-I132 WeakPolarHBondContact O-CG1 3.39Å; D128-I132 PolarHBondContact O-N 2.88Å; I129-I132 PolarHBondContact O-N 3.08Å; I132-H134 VanDerWaalsContact C-N 3.3Å; I132-H134 PolarHBondContact O-N 2.88Å; I132-S135 VanDerWaalsContact O-CB 3.29Å; I132-S135 WeakPolarHBondContact O-CB 3.41Å; I132-S135 PolarHBondContact O-N 3.2Å; I132-S135 PolarHBondContact O-OG 3.42Å; I132-Y138 HydrophobicContact CG2-CD2 3.95Å; I132-Y138 HydrophobicContact CG2-CE2 3.55Å; I132-Y138 WeakPolarHBondContact O-CD2 3.5Å; I132-L215 HydrophobicContact CD1-CD1 3.65Å; I132-L215 HydrophobicContact CG1-CD1 3.78Å
133I94.4Very high93.9Very high1 Ų115.4 Ų15.41%0.00510%0.098CC..Hα-helixtrans-58.8-38.9175.4-79158.1000112.2L51 F59 I129 L130 T131 S135 Y138 S139 F155 P336L51-I133 HydrophobicContact CD1-CD1 4.38Å; L51-I133 HydrophobicContact CD1-CG1 3.9Å; F59-I133 HydrophobicContact CB-CD1 3.74Å; F59-I133 HydrophobicContact CD1-CD1 3.78Å; F59-I133 HydrophobicContact CD1-CG1 4.46Å; F59-I133 HydrophobicContact CD2-CD1 3.37Å; F59-I133 HydrophobicContact CE1-CD1 4.24Å; F59-I133 HydrophobicContact CE2-CD1 3.85Å; F59-I133 HydrophobicContact CE2-CG2 4.22Å; F59-I133 HydrophobicContact CG-CD1 3.29Å; F59-I133 HydrophobicContact CG-CG1 4.4Å; F59-I133 HydrophobicContact CZ-CD1 4.25Å; F59-I133 HydrophobicContact CZ-CG2 4.11Å; I129-I133 HydrophobicContact CG2-CD1 3.83Å; I129-I133 WeakPolarHBondContact O-CD1 3.08Å; I129-I133 WeakPolarHBondContact O-CG1 3.16Å; I129-I133 PolarHBondContact O-N 3.11Å; L130-I133 HydrophobicContact CD2-CD1 4.16Å; L130-I133 WeakPolarHBondContact O-CB 3.46Å; L130-I133 PolarHBondContact O-N 3.13Å; T131-I133 VanDerWaalsContact C-N 3.28Å; T131-I133 PolarHBondContact O-N 3.36Å; I133-S135 PolarHBondContact O-N 2.89Å; I133-Y138 VanDerWaalsContact O-CB 3.31Å; I133-Y138 WeakPolarHBondContact O-CB 3.47Å; I133-S139 VanDerWaalsContact O-CB 3.32Å; I133-S139 WeakPolarHBondContact O-CB 3.3Å; I133-S139 PolarHBondContact O-OG 3.06Å; I133-F155 HydrophobicContact CB-CE2 4.5Å; I133-F155 HydrophobicContact CG2-CD2 4.28Å; I133-F155 HydrophobicContact CG2-CE2 3.9Å; I133-P336 HydrophobicContact CG2-CG 3.81Å
134H93.9Very high93.8Very high4 Ų413.7 Ų13.72%0.0197%0.074CC..Hα-helixtrans-64-25-180-171.9-95.4000114L130 T131 I132 Y151 H152 F155 P284 F289L130-H134 PolarHBondContact O-N 3.04Å; T131-H134 WeakPolarHBondContact O-CB 3.35Å; T131-H134 PolarHBondContact O-N 3.4Å; I132-H134 VanDerWaalsContact C-N 3.3Å; I132-H134 PolarHBondContact O-N 2.88Å; H134-Y151 AromaticContact CD2-CE1 3.77Å; H134-H152 AromaticContact CD2-NE2 3.76Å; H134-H152 AromaticContact NE2-CD2 3.85Å; H134-H152 AromaticContact NE2-CE1 3.91Å; H134-H152 AromaticContact NE2-NE2 2.94Å; H134-H152 PolarHBondContact NE2-NE2 3.01Å; H134-F155 HydrophobicContact CB-CZ 4.22Å; H134-P284 HydrophobicContact CB-CG 3.73Å; H134-F289 AromaticContact CD2-CZ 3.69Å; H134-F289 AromaticContact CE1-CZ 3.9Å; H134-F289 AromaticContact NE2-CZ 3.5Å; H134-F289 WeakPolarHBondContact NE2-CZ 3.34Å
135S90.1Very high93.7Very high7 Ų712.4 Ų12.45%0.0497%0.067CC..SBendtrans-56.5152.7-175.872.20000113.9I132 I133 T137 Y138 S139 L281I132-S135 VanDerWaalsContact O-CB 3.29Å; I132-S135 WeakPolarHBondContact O-CB 3.41Å; I132-S135 PolarHBondContact O-N 3.2Å; I132-S135 PolarHBondContact O-OG 3.42Å; I133-S135 PolarHBondContact O-N 2.89Å; S135-T137 PolarHBondContact O-N 3.43Å; S135-Y138 PolarHBondContact O-N 3.01Å; S135-S139 PolarHBondContact O-N 2.9Å; S135-L281 VanDerWaalsContact CB-CD1 3.4Å
136S87.4Confident93.6Very high11 Ų1112.4 Ų12.48%0.0777%0.067CC..THydrogen-bonded Turntrans-55-19177.852.90000114.5W36 E39 L40W36-S136 VanDerWaalsContact CH2-CA 3.47Å; E39-S136 WeakPolarHBondContact CB-OG 3.38Å; E39-S136 WeakPolarHBondContact OE2-CB 3.44Å; E39-S136 PolarHBondContact OE2-OG 2.68Å; L40-S136 WeakPolarHBondContact CD2-O 3.48Å
137T86.9Confident93.5Very high80 Ų8010.8 Ų10.849%0.4916%0.06SC..THydrogen-bonded Turntrans-73.4-42.4176-63.10000112.5S135S135-T137 PolarHBondContact O-N 3.43Å
138Y91.7Very high93.5Very high47 Ų4711 Ų1118%0.1846%0.061CC..THydrogen-bonded Turntrans-96.6-36.7-178-71.3-81.7000112.3V49 K50 L51 I132 I133 S135 P140 Q335 P336V49-Y138 PolarHBondContact O-OH 2.79Å; K50-Y138 WeakPolarHBondContact CA-OH 3.11Å; L51-Y138 HydrophobicContact CD1-CE1 4.1Å; L51-Y138 HydrophobicContact CD1-CE2 4.49Å; L51-Y138 HydrophobicContact CG-CE1 4.38Å; L51-Y138 HydrophobicContact CG-CE2 4.35Å; L51-Y138 PolarHBondContact N-OH 3.47Å; I132-Y138 HydrophobicContact CG2-CD2 3.95Å; I132-Y138 HydrophobicContact CG2-CE2 3.55Å; I132-Y138 WeakPolarHBondContact O-CD2 3.5Å; I133-Y138 VanDerWaalsContact O-CB 3.31Å; I133-Y138 WeakPolarHBondContact O-CB 3.47Å; S135-Y138 PolarHBondContact O-N 3.01Å; Y138-P140 WeakPolarHBondContact O-CD 3.49Å; Y138-Q335 CarbonylContact O-C 3.52Å; Y138-Q335 VanDerWaalsContact O-C 3.31Å; Y138-Q335 WeakPolarHBondContact O-CB 3.37Å; Y138-P336 WeakPolarHBondContact O-CD 3.35Å
139S94.1Very high93.5Very high0 Ų010.7 Ų10.70%06%0.059CC..  trans-119.462.7-172.2-63.90000112.6I133 S135 G141 S142 Y151 Q335 P336I133-S139 VanDerWaalsContact O-CB 3.32Å; I133-S139 WeakPolarHBondContact O-CB 3.3Å; I133-S139 PolarHBondContact O-OG 3.06Å; S135-S139 PolarHBondContact O-N 2.9Å; S139-G141 PolarHBondContact O-N 3.35Å; S139-S142 WeakPolarHBondContact O-CB 3.46Å; S139-S142 PolarHBondContact O-N 3.37Å; S139-S142 PolarHBondContact O-OG 3.05Å; S139-S142 VanDerWaalsContact O-OG 3.06Å; S139-Y151 VanDerWaalsContact CB-CZ 3.47Å; S139-Y151 VanDerWaalsContact CB-OH 3.23Å; S139-Y151 WeakPolarHBondContact CB-OH 3.39Å; S139-Y151 WeakPolarHBondContact OG-CE2 3.42Å; S139-Y151 VanDerWaalsContact OG-CZ 3.29Å; S139-Y151 PolarHBondContact OG-OH 3.45Å; S139-Q335 WeakPolarHBondContact CA-O 3.22Å; S139-P336 WeakPolarHBondContact OG-CD 3.34Å
140P92.4Very high93.6Very high15 Ų1510.7 Ų10.710%0.0976%0.059CC..THydrogen-bonded Turntrans-67.2-14.7-170.130.3-39.5000114.9L40 Y138 N327 Q335L40-P140 HydrophobicContact CD2-CB 3.37Å; Y138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-N327 HydrophobicContact CB-CB 4.36Å; P140-N327 HydrophobicContact CG-CB 4.38Å; P140-Q335 HydrophobicContact CG-CB 4.32Å
141G92.9Very high93.7Very high7 Ų710.7 Ų10.77%0.0726%0.06CC..THydrogen-bonded Turntrans-93.9-3.1175.500000114.7S139 L143 A147 H328S139-G141 PolarHBondContact O-N 3.35Å; G141-L143 VanDerWaalsContact C-N 3.28Å; G141-L143 PolarHBondContact O-N 3.41Å; G141-A147 WeakPolarHBondContact O-CB 3.35Å; G141-H328 PolarHBondContact O-CE1 3.06Å; G141-H328 VanDerWaalsContact O-CE1 3.27Å; G141-H328 PolarHBondContact O-ND1 2.97Å
142S94.8Very high93.8Very high0 Ų011 Ų110%06%0.061CC..SBendtrans-66.8-21.4-169.1660000114.7W36 S139 F148 H152W36-S142 VanDerWaalsContact CH2-OG 3.27Å; W36-S142 WeakPolarHBondContact CH2-OG 3.24Å; W36-S142 WeakPolarHBondContact CZ2-OG 3.03Å; S139-S142 WeakPolarHBondContact O-CB 3.46Å; S139-S142 PolarHBondContact O-N 3.37Å; S139-S142 PolarHBondContact O-OG 3.05Å; S139-S142 VanDerWaalsContact O-OG 3.06Å; S142-F148 VanDerWaalsContact O-CD2 3.26Å; S142-F148 WeakPolarHBondContact O-CD2 3.34Å; S142-H152 PolarHBondContact O-CE1 2.71Å
143L93.4Very high94Very high9 Ų910.7 Ų10.75%0.0476%0.059CC..SBendtrans-135.7152.9-179.3-64173.8000112.5W36 G141 F148 Y266 A280 H328W36-L143 HydrophobicContact CD2-CB 4.33Å; W36-L143 HydrophobicContact CD2-CD1 4.1Å; W36-L143 HydrophobicContact CE3-CD1 3.87Å; W36-L143 HydrophobicContact CH2-CD1 4.12Å; W36-L143 HydrophobicContact CH2-CG 4.47Å; W36-L143 HydrophobicContact CZ2-CB 4.3Å; W36-L143 HydrophobicContact CZ2-CD1 4.37Å; W36-L143 HydrophobicContact CZ2-CG 4.38Å; W36-L143 HydrophobicContact CZ3-CD1 3.87Å; G141-L143 VanDerWaalsContact C-N 3.28Å; G141-L143 PolarHBondContact O-N 3.41Å; L143-F148 HydrophobicContact CD2-CD2 3.94Å; L143-F148 HydrophobicContact CD2-CE2 3.88Å; L143-Y266 HydrophobicContact CD2-CE1 4.46Å; L143-A280 HydrophobicContact CD1-CB 3.98Å; L143-H328 PolarHBondContact O-CE1 3.35Å; L143-H328 VanDerWaalsContact O-CE1 3.25Å
144F91.7Very high94.2Very high22 Ų2210.7 Ų10.710%0.0966%0.059CC..SBendtrans68.236.7169.9-49.8-73000116.5Y29 R32 K33 W36 T256 E263Y29-F144 HydrophobicContact CD2-CE1 4.12Å; Y29-F144 AromaticContact CE2-CD1 3.85Å; Y29-F144 HydrophobicContact CE2-CD1 3.85Å; Y29-F144 AromaticContact CE2-CE1 3.73Å; Y29-F144 HydrophobicContact CE2-CE1 3.73Å; R32-F144 HydrophobicContact CB-CZ 3.95Å; K33-F144 HydrophobicContact CB-CD1 3.7Å; K33-F144 HydrophobicContact CB-CD2 4.44Å; K33-F144 HydrophobicContact CB-CE1 3.74Å; K33-F144 HydrophobicContact CB-CE2 4.49Å; K33-F144 HydrophobicContact CB-CG 4.07Å; K33-F144 HydrophobicContact CB-CZ 4.16Å; K33-F144 HydrophobicContact CD-CB 4.31Å; K33-F144 HydrophobicContact CD-CD1 4.04Å; K33-F144 HydrophobicContact CD-CG 4.35Å; K33-F144 HydrophobicContact CG-CB 4.01Å; K33-F144 HydrophobicContact CG-CD1 3.75Å; K33-F144 HydrophobicContact CG-CD2 4.38Å; K33-F144 HydrophobicContact CG-CE1 4.32Å; K33-F144 HydrophobicContact CG-CG 3.78Å; W36-F144 HydrophobicContact CB-CD2 3.85Å; W36-F144 HydrophobicContact CB-CE2 3.6Å; W36-F144 AromaticContact CD1-CD2 3.71Å; W36-F144 AromaticContact CG-CD2 3.81Å; W36-F144 HydrophobicContact CG-CD2 3.81Å; W36-F144 AromaticContact CG-CE2 3.87Å; W36-F144 HydrophobicContact CG-CE2 3.87Å; F144-T256 HydrophobicContact CB-CG2 4.18Å; F144-T256 VanDerWaalsContact O-CG2 3.29Å; F144-T256 WeakPolarHBondContact O-CG2 3.44Å; F144-E263 VanDerWaalsContact CA-OE2 3.22Å; F144-E263 WeakPolarHBondContact CA-OE2 3.29Å; F144-E263 PolarHBondContact N-OE2 3.25Å
145G92.9Very high94.4Very high0 Ų010.5 Ų10.50%06%0.058CC..SBendtrans178.9179.6173.900000114.6A147 F148 E263G145-A147 PolarHBondContact O-N 2.85Å; G145-F148 VanDerWaalsContact O-CB 3.27Å; G145-F148 WeakPolarHBondContact O-CB 3.35Å; G145-F148 PolarHBondContact O-N 2.95Å; G145-E263 PolarHBondContact N-OE1 3.09Å
146P95.1Very high94.8Very high3 Ų310.1 Ų10.12%0.0196%0.056CC..THydrogen-bonded Turntrans-54.2-13.6-175.5-31.335.6000118.1Y251 T255 C257 Y317 P318 C324 H328P146-Y251 PolarHBondContact O-OH 2.83Å; P146-T255 HydrophobicContact CB-CG2 4.03Å; P146-T255 HydrophobicContact CG-CG2 4.13Å; P146-C257 VanDerWaalsContact CD-SG 3.53Å; P146-Y317 VanDerWaalsContact C-OH 3.24Å; P146-Y317 HydrophobicContact CB-CE1 3.92Å; P146-Y317 HydrophobicContact CB-CE2 4.45Å; P146-Y317 WeakPolarHBondContact CB-OH 3.43Å; P146-Y317 PolarHBondContact O-OH 3.25Å; P146-P318 HydrophobicContact CB-CG 3.97Å; P146-P318 HydrophobicContact CG-CB 4.39Å; P146-P318 HydrophobicContact CG-CG 3.99Å; P146-C324 WeakPolarHBondContact CD-SG 3.01Å; P146-H328 HydrophobicContact CB-CB 4.42Å
147A96.1Very high95.3Very high0 Ų09.7 Ų9.70%05%0.053CC..THydrogen-bonded Turntrans-83.3-12.8172.900000113.5G141 G145 L149 Y151 Y317 H328 N341G141-A147 WeakPolarHBondContact O-CB 3.35Å; G145-A147 PolarHBondContact O-N 2.85Å; A147-L149 PolarHBondContact O-N 3.4Å; A147-Y151 WeakPolarHBondContact O-CB 2.95Å; A147-Y151 PolarHBondContact O-N 2.71Å; A147-Y317 PolarHBondContact N-OH 3.19Å; A147-H328 HydrophobicContact CB-CB 4.31Å; A147-N341 HydrophobicContact CB-CB 4.37Å; A147-N341 WeakPolarHBondContact CB-OD1 3.46Å
148F97Very high95.8Very high4 Ų45.9 Ų5.92%0.0183%0.029CC..Hα-helixtrans-52.1-49.1-172.9168.5-105000113.7S142 L143 G145 H152 E263 Y266 T296S142-F148 VanDerWaalsContact O-CD2 3.26Å; S142-F148 WeakPolarHBondContact O-CD2 3.34Å; L143-F148 HydrophobicContact CD2-CD2 3.94Å; L143-F148 HydrophobicContact CD2-CE2 3.88Å; G145-F148 VanDerWaalsContact O-CB 3.27Å; G145-F148 WeakPolarHBondContact O-CB 3.35Å; G145-F148 PolarHBondContact O-N 2.95Å; F148-H152 AromaticContact CD2-CE1 3.54Å; F148-H152 AromaticContact CD2-ND1 3.52Å; F148-H152 AromaticContact CE2-CE1 3.44Å; F148-H152 VanDerWaalsContact CE2-CE1 3.44Å; F148-H152 WeakPolarHBondContact CE2-CE1 3.4Å; F148-H152 AromaticContact CE2-ND1 3.49Å; F148-H152 WeakPolarHBondContact CE2-ND1 3.46Å; F148-H152 PolarHBondContact O-N 3.24Å; F148-H152 PolarHBondContact O-ND1 3.2Å; F148-E263 HydrophobicContact CB-CG 4.36Å; F148-E263 HydrophobicContact CD1-CG 3.41Å; F148-E263 VanDerWaalsContact CD1-CG 3.41Å; F148-E263 HydrophobicContact CD2-CG 4.15Å; F148-E263 HydrophobicContact CE1-CG 3.71Å; F148-E263 HydrophobicContact CE2-CG 4.39Å; F148-E263 HydrophobicContact CG-CG 3.71Å; F148-E263 HydrophobicContact CZ-CG 4.21Å; F148-Y266 AromaticContact CE2-CD1 3.94Å; F148-Y266 HydrophobicContact CE2-CD1 3.94Å; F148-Y266 AromaticContact CE2-CE1 3.9Å; F148-Y266 HydrophobicContact CE2-CE1 3.9Å; F148-Y266 HydrophobicContact CE2-CG 4.43Å; F148-Y266 AromaticContact CZ-CD1 3.62Å; F148-Y266 HydrophobicContact CZ-CD1 3.62Å; F148-Y266 AromaticContact CZ-CD2 3.99Å; F148-Y266 HydrophobicContact CZ-CD2 3.99Å; F148-Y266 AromaticContact CZ-CE1 3.97Å; F148-Y266 HydrophobicContact CZ-CE1 3.97Å; F148-Y266 HydrophobicContact CZ-CE2 4.32Å; F148-Y266 AromaticContact CZ-CG 3.69Å; F148-Y266 HydrophobicContact CZ-CG 3.69Å; F148-T296 HydrophobicContact CE1-CG2 4.07Å; F148-T296 HydrophobicContact CZ-CG2 4.26Å
149L97.8Very high96.1Very high7 Ų73.6 Ų3.64%0.0372%0.02CC..Hα-helixtrans-75.9-52.2-177.8-66.2164.7000112.3A147 Y151 H152 R153 Y251 L254 F262 T296 W300A147-L149 PolarHBondContact O-N 3.4Å; L149-Y151 VanDerWaalsContact C-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.43Å; L149-H152 PolarHBondContact O-N 2.04Å; L149-R153 WeakPolarHBondContact O-CB 3.35Å; L149-R153 PolarHBondContact O-N 3.39Å; L149-Y251 HydrophobicContact CB-CE2 4.34Å; L149-Y251 HydrophobicContact CD1-CE2 3.77Å; L149-L254 HydrophobicContact CD1-CB 4.45Å; L149-F262 HydrophobicContact CD1-CD1 3.84Å; L149-F262 HydrophobicContact CD1-CE1 3.73Å; L149-F262 HydrophobicContact CD2-CD1 4.4Å; L149-F262 HydrophobicContact CD2-CE1 3.86Å; L149-F262 HydrophobicContact CD2-CZ 4.23Å; L149-F262 HydrophobicContact CG-CE1 4.45Å; L149-T296 HydrophobicContact CD2-CG2 3.82Å; L149-W300 HydrophobicContact CB-CD2 3.75Å; L149-W300 HydrophobicContact CB-CE3 3.63Å; L149-W300 HydrophobicContact CB-CG 4.32Å; L149-W300 HydrophobicContact CB-CH2 4.21Å; L149-W300 HydrophobicContact CB-CZ2 4.32Å; L149-W300 HydrophobicContact CB-CZ3 3.86Å; L149-W300 HydrophobicContact CD1-CB 4.27Å; L149-W300 HydrophobicContact CD1-CD2 4.11Å; L149-W300 HydrophobicContact CD1-CG 3.85Å; L149-W300 HydrophobicContact CD2-CB 4.22Å; L149-W300 HydrophobicContact CD2-CG 4.46Å; L149-W300 HydrophobicContact CG-CD2 4.35Å; L149-W300 HydrophobicContact CG-CG 4.41Å
150P97.8Very high96.3Very high0 Ų03.9 Ų3.90%02%0.021CC..Hα-helixtrans-50.9-43.5171.6-30.633.4000114.3R153 E154 Y251 W300 Y317 M334 L345P150-R153 PolarHBondContact O-N 2.96Å; P150-E154 PolarHBondContact O-N 3.19Å; P150-E154 VanDerWaalsContact O-N 3.08Å; P150-Y251 WeakPolarHBondContact CD-OH 3.24Å; P150-W300 HydrophobicContact CB-CH2 4.48Å; P150-W300 HydrophobicContact CG-CH2 3.83Å; P150-W300 HydrophobicContact CG-CZ2 4.43Å; P150-Y317 HydrophobicContact CG-CE2 4.33Å; P150-M334 HydrophobicContact CB-CE 3.54Å; P150-L345 HydrophobicContact CG-CD2 4.22Å
151Y98Very high96.5Very high1 Ų13.3 Ų3.30%0.0042%0.018CC..Hα-helixtrans-62-51.3179.3173.4-84.3000111.7H134 S139 A147 L149 R153 E154 F155 M334 F337H134-Y151 AromaticContact CD2-CE1 3.77Å; S139-Y151 VanDerWaalsContact CB-CZ 3.47Å; S139-Y151 VanDerWaalsContact CB-OH 3.23Å; S139-Y151 WeakPolarHBondContact CB-OH 3.39Å; S139-Y151 WeakPolarHBondContact OG-CE2 3.42Å; S139-Y151 VanDerWaalsContact OG-CZ 3.29Å; S139-Y151 PolarHBondContact OG-OH 3.45Å; A147-Y151 WeakPolarHBondContact O-CB 2.95Å; A147-Y151 PolarHBondContact O-N 2.71Å; L149-Y151 VanDerWaalsContact C-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.43Å; Y151-R153 VanDerWaalsContact C-N 3.27Å; Y151-R153 PolarHBondContact O-N 2.97Å; Y151-E154 PolarHBondContact O-N 2.8Å; Y151-F155 HydrophobicContact CE1-CB 4.12Å; Y151-F155 HydrophobicContact CE1-CG 4.35Å; Y151-F155 WeakPolarHBondContact O-CB 3.3Å; Y151-F155 PolarHBondContact O-N 3.24Å; Y151-M334 VanDerWaalsContact CA-SD 3.58Å; Y151-M334 HydrophobicContact CD2-CG 4.12Å; Y151-M334 HydrophobicContact CD2-SD 4.42Å; Y151-F337 HydrophobicContact CD2-CD2 4.23Å; Y151-F337 AromaticContact CD2-CE2 3.62Å; Y151-F337 HydrophobicContact CD2-CE2 3.62Å; Y151-F337 HydrophobicContact CE2-CD2 4.2Å; Y151-F337 AromaticContact CE2-CE2 3.4Å; Y151-F337 HydrophobicContact CE2-CE2 3.4Å; Y151-F337 VanDerWaalsContact CE2-CE2 3.4Å; Y151-F337 HydrophobicContact CE2-CZ 4.16Å; Y151-F337 HydrophobicContact CG-CE2 4.42Å
152H98.2Very high96.7Very high6 Ų63.1 Ų3.13%0.0282%0.015CC..Hα-helixtrans-69.3-28.9-178.9-71.4103.2000111.7H134 S142 F148 L149 F155 L156 H293H134-H152 AromaticContact CD2-NE2 3.76Å; H134-H152 AromaticContact NE2-CD2 3.85Å; H134-H152 AromaticContact NE2-CE1 3.91Å; H134-H152 AromaticContact NE2-NE2 2.94Å; H134-H152 PolarHBondContact NE2-NE2 3.01Å; S142-H152 PolarHBondContact O-CE1 2.71Å; F148-H152 AromaticContact CD2-CE1 3.54Å; F148-H152 AromaticContact CD2-ND1 3.52Å; F148-H152 AromaticContact CE2-CE1 3.44Å; F148-H152 VanDerWaalsContact CE2-CE1 3.44Å; F148-H152 WeakPolarHBondContact CE2-CE1 3.4Å; F148-H152 AromaticContact CE2-ND1 3.49Å; F148-H152 WeakPolarHBondContact CE2-ND1 3.46Å; F148-H152 PolarHBondContact O-N 3.24Å; F148-H152 PolarHBondContact O-ND1 3.2Å; L149-H152 PolarHBondContact O-N 2.04Å; H152-F155 PolarHBondContact O-N 2.93Å; H152-L156 WeakPolarHBondContact O-CB 3.43Å; H152-L156 WeakPolarHBondContact O-CG 3.17Å; H152-L156 PolarHBondContact O-N 3.02Å; H152-H293 AromaticContact CD2-CD2 3.94Å; H152-H293 AromaticContact CD2-CE1 3.15Å; H152-H293 PolarHBondContact CD2-CE1 2.56Å; H152-H293 AromaticContact CD2-CG 3.88Å; H152-H293 AromaticContact CD2-ND1 3.41Å; H152-H293 PolarHBondContact CD2-ND1 2.91Å; H152-H293 AromaticContact CD2-NE2 3.48Å; H152-H293 PolarHBondContact CD2-NE2 2.76Å; H152-H293 AromaticContact CE1-CE1 3.42Å; H152-H293 PolarHBondContact CE1-CE1 3.46Å; H152-H293 VanDerWaalsContact CE1-CE1 3.42Å; H152-H293 AromaticContact CG-CE1 3.39Å; H152-H293 AromaticContact CG-ND1 3.41Å; H152-H293 AromaticContact ND1-CE1 3.56Å; H152-H293 AromaticContact ND1-ND1 3.92Å; H152-H293 AromaticContact NE2-CE1 3.18Å; H152-H293 PolarHBondContact NE2-CE1 3.32Å; H152-H293 AromaticContact NE2-ND1 3.94Å; H152-H293 AromaticContact NE2-NE2 3.4Å; H152-H293 PolarHBondContact NE2-NE2 2.84Å
153R98.3Very high96.8Very high0 Ų03.1 Ų3.10%02%0.015CC..Hα-helixtrans-60.9-50.7171.1176.4168.9-68.3-157.7-8.7112.4L149 P150 Y151 K157 D297 W300 E301 Y349 Y354L149-R153 WeakPolarHBondContact O-CB 3.35Å; L149-R153 PolarHBondContact O-N 3.39Å; P150-R153 PolarHBondContact O-N 2.96Å; Y151-R153 VanDerWaalsContact C-N 3.27Å; Y151-R153 PolarHBondContact O-N 2.97Å; R153-K157 PolarHBondContact O-N 3.39Å; R153-K157 VanDerWaalsContact O-N 3.1Å; R153-D297 IonicContact CZ-OD1 3.13Å; R153-D297 IonicContact NE-OD1 3.43Å; R153-D297 PolarHBondContact NE-OD1 2.8Å; R153-D297 IonicContact NE-OD2 3.15Å; R153-D297 IonicContact NH2-OD1 2.68Å; R153-D297 PolarHBondContact NH2-OD1 3.09Å; R153-D297 IonicContact NH2-OD2 2.72Å; R153-W300 HydrophobicContact CB-CZ3 4.16Å; R153-W300 VanDerWaalsContact NE-CZ3 3.26Å; R153-E301 IonicContact CZ-OE2 2.86Å; R153-E301 IonicContact NH1-OE2 2.72Å; R153-E301 PolarHBondContact NH1-OE2 2.99Å; R153-E301 IonicContact NH2-OE2 3.34Å; R153-E301 PolarHBondContact NH2-OE2 3.11Å; R153-Y349 HydrophobicContact CG-CD1 4.15Å; R153-Y349 HydrophobicContact CG-CD2 3.73Å; R153-Y349 HydrophobicContact CG-CE1 4.49Å; R153-Y349 HydrophobicContact CG-CE2 4.1Å; R153-Y349 HydrophobicContact CG-CG 3.77Å; R153-Y354 WeakPolarHBondContact CG-OH 3.46Å
154E98.1Very high96.9Very high1 Ų13 Ų31%0.0051%0.014CC..Hα-helixtrans-62.3-43.7174.9-176.369.4-159.800111.4R66 P150 Y151 L156 K157 D158 M334 F337 I339 Y349R66-E154 IonicContact CZ-OE2 3.77Å; R66-E154 VanDerWaalsContact NH1-CD 3.27Å; R66-E154 IonicContact NH1-OE1 3.21Å; R66-E154 PolarHBondContact NH1-OE1 2.8Å; R66-E154 VanDerWaalsContact NH1-OE1 3.13Å; R66-E154 IonicContact NH1-OE2 2.75Å; R66-E154 PolarHBondContact NH1-OE2 2.93Å; R66-E154 IonicContact NH2-OE2 2.72Å; P150-E154 PolarHBondContact O-N 3.19Å; P150-E154 VanDerWaalsContact O-N 3.08Å; Y151-E154 PolarHBondContact O-N 2.8Å; E154-L156 PolarHBondContact O-N 3.29Å; E154-K157 WeakPolarHBondContact O-CB 3.28Å; E154-K157 PolarHBondContact O-N 3.42Å; E154-K157 WeakPolarHBondContact OE1-CE 3.1Å; E154-K157 IonicContact OE1-NZ 2.66Å; E154-K157 PolarHBondContact OE1-NZ 3.49Å; E154-D158 PolarHBondContact O-N 3.34Å; E154-M334 HydrophobicContact CB-SD 4.13Å; E154-F337 HydrophobicContact CB-CD2 4.17Å; E154-F337 HydrophobicContact CB-CE1 4.39Å; E154-F337 HydrophobicContact CB-CE2 3.95Å; E154-F337 HydrophobicContact CB-CG 4.47Å; E154-F337 HydrophobicContact CB-CZ 4.1Å; E154-F337 HydrophobicContact CG-CB 4.18Å; E154-F337 HydrophobicContact CG-CD1 3.42Å; E154-F337 VanDerWaalsContact CG-CD1 3.42Å; E154-F337 HydrophobicContact CG-CD2 3.69Å; E154-F337 HydrophobicContact CG-CE1 3.56Å; E154-F337 HydrophobicContact CG-CE2 3.79Å; E154-F337 HydrophobicContact CG-CG 3.5Å; E154-F337 HydrophobicContact CG-CZ 3.75Å; E154-I339 HydrophobicContact CG-CD1 4.2Å; E154-Y349 WeakPolarHBondContact OE2-CE1 3.08Å; E154-Y349 VanDerWaalsContact OE2-CZ 3.31Å; E154-Y349 PolarHBondContact OE2-OH 2.99Å
155F98.1Very high97Very high0 Ų02.7 Ų2.70%01%0.013CC..Hα-helixtrans-63.4-41.7179.7-171.6-115.8000113L130 I133 H134 Y151 H152 D158 F159 F289 Y290 F337L130-F155 HydrophobicContact CB-CE2 4.26Å; L130-F155 HydrophobicContact CB-CZ 4.18Å; L130-F155 HydrophobicContact CD2-CE2 4.34Å; L130-F155 WeakPolarHBondContact O-CE2 3.39Å; L130-F155 VanDerWaalsContact O-CZ 3.31Å; L130-F155 WeakPolarHBondContact O-CZ 3.44Å; I133-F155 HydrophobicContact CB-CE2 4.5Å; I133-F155 HydrophobicContact CG2-CD2 4.28Å; I133-F155 HydrophobicContact CG2-CE2 3.9Å; H134-F155 HydrophobicContact CB-CZ 4.22Å; Y151-F155 HydrophobicContact CE1-CB 4.12Å; Y151-F155 HydrophobicContact CE1-CG 4.35Å; Y151-F155 WeakPolarHBondContact O-CB 3.3Å; Y151-F155 PolarHBondContact O-N 3.24Å; H152-F155 PolarHBondContact O-N 2.93Å; F155-D158 PolarHBondContact O-N 3.45Å; F155-F159 WeakPolarHBondContact O-CB 3.39Å; F155-F159 PolarHBondContact O-N 3.07Å; F155-F289 HydrophobicContact CD1-CE1 4.25Å; F155-F289 AromaticContact CE1-CE1 3.82Å; F155-F289 HydrophobicContact CE1-CE1 3.82Å; F155-Y290 HydrophobicContact CD1-CE1 4.37Å; F155-Y290 HydrophobicContact CE1-CD1 4.42Å; F155-Y290 AromaticContact CE1-CE1 3.56Å; F155-Y290 HydrophobicContact CE1-CE1 3.56Å; F155-Y290 HydrophobicContact CZ-CE1 4.12Å; F155-F337 HydrophobicContact CB-CZ 3.89Å; F155-F337 HydrophobicContact CD2-CZ 4.13Å
156L98.3Very high97.1Very high0 Ų03.4 Ų3.40%02%0.016CC..Hα-helixtrans-66.5-36.7174.8-69.9169.2000111.9H152 E154 E160 L172 Y290 H293 D297H152-L156 WeakPolarHBondContact O-CB 3.43Å; H152-L156 WeakPolarHBondContact O-CG 3.17Å; H152-L156 PolarHBondContact O-N 3.02Å; E154-L156 PolarHBondContact O-N 3.29Å; L156-E160 VanDerWaalsContact O-CB 3.26Å; L156-E160 WeakPolarHBondContact O-CB 3.43Å; L156-E160 PolarHBondContact O-N 3.27Å; L156-L172 HydrophobicContact CD2-CD2 3.52Å; L156-Y290 HydrophobicContact CD2-CD1 4.37Å; L156-H293 HydrophobicContact CD1-CB 4.08Å; L156-H293 HydrophobicContact CD2-CB 3.94Å; L156-H293 HydrophobicContact CG-CB 4.32Å; L156-D297 HydrophobicContact CD1-CB 4.08Å
157K97.8Very high97.1Very high1 Ų14.4 Ų4.40%0.0042%0.021CC..Hα-helixtrans-60.1-52.4172.4178.7-133.760.3164.50109.8S63 M65 R153 E154 F159 E160 L161 Y349 F353S63-K157 PolarHBondContact O-NZ 2.82Å; M65-K157 PolarHBondContact O-NZ 2.85Å; R153-K157 PolarHBondContact O-N 3.39Å; R153-K157 VanDerWaalsContact O-N 3.1Å; E154-K157 WeakPolarHBondContact O-CB 3.28Å; E154-K157 PolarHBondContact O-N 3.42Å; E154-K157 WeakPolarHBondContact OE1-CE 3.1Å; E154-K157 IonicContact OE1-NZ 2.66Å; E154-K157 PolarHBondContact OE1-NZ 3.49Å; K157-F159 PolarHBondContact O-N 3.11Å; K157-E160 PolarHBondContact O-N 2.93Å; K157-L161 WeakPolarHBondContact O-CG 3.42Å; K157-L161 PolarHBondContact O-N 2.87Å; K157-Y349 HydrophobicContact CB-CD1 4.32Å; K157-Y349 HydrophobicContact CD-CD1 4.24Å; K157-Y349 HydrophobicContact CD-CE1 4.18Å; K157-Y349 HydrophobicContact CG-CD1 4.37Å; K157-F353 HydrophobicContact CD-CD1 4.32Å; K157-F353 HydrophobicContact CD-CD2 4.09Å; K157-F353 HydrophobicContact CD-CE1 4.21Å; K157-F353 HydrophobicContact CD-CE2 3.95Å; K157-F353 HydrophobicContact CD-CG 4.25Å; K157-F353 HydrophobicContact CD-CZ 4Å; K157-F353 HydrophobicContact CG-CB 4.27Å; K157-F353 HydrophobicContact CG-CD1 3.99Å; K157-F353 HydrophobicContact CG-CD2 4.12Å; K157-F353 HydrophobicContact CG-CE1 4.35Å; K157-F353 HydrophobicContact CG-CE2 4.45Å; K157-F353 HydrophobicContact CG-CG 3.85Å
158D97.4Very high97Very high0 Ų04.5 Ų4.50%02%0.022CC..Hα-helixtrans-62.4-38.7179.3-83.9-4.2000113.3F59 S63 E154 F155 L161 A162 F337F59-D158 HydrophobicContact CE2-CB 4.49Å; F59-D158 WeakPolarHBondContact CE2-OD2 2.95Å; S63-D158 VanDerWaalsContact CA-OD1 3.29Å; S63-D158 WeakPolarHBondContact CA-OD1 3.41Å; S63-D158 WeakPolarHBondContact CA-OD2 3.47Å; S63-D158 WeakPolarHBondContact CB-OD2 3.42Å; S63-D158 PolarHBondContact N-OD1 2.82Å; E154-D158 PolarHBondContact O-N 3.34Å; F155-D158 PolarHBondContact O-N 3.45Å; D158-L161 PolarHBondContact O-N 3.15Å; D158-A162 WeakPolarHBondContact O-CB 3.29Å; D158-A162 PolarHBondContact O-N 3.31Å; D158-F337 WeakPolarHBondContact OD2-CE1 3.39Å
159F98.2Very high96.8Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-64.3-42.6174.4-175.1-89.8000112.2L113 M116 Y127 L130 F155 K157 A162 L163 L172 Y290L113-F159 HydrophobicContact CD2-CE1 3.86Å; L113-F159 HydrophobicContact CD2-CZ 3.49Å; L113-F159 VanDerWaalsContact CD2-CZ 3.49Å; M116-F159 HydrophobicContact CE-CD2 3.99Å; M116-F159 HydrophobicContact CE-CE1 4.33Å; M116-F159 HydrophobicContact CE-CE2 3.42Å; M116-F159 VanDerWaalsContact CE-CE2 3.42Å; M116-F159 HydrophobicContact CE-CZ 3.64Å; Y127-F159 HydrophobicContact CD2-CE2 4.13Å; Y127-F159 HydrophobicContact CD2-CZ 4.38Å; Y127-F159 AromaticContact CE2-CE2 3.98Å; Y127-F159 HydrophobicContact CE2-CE2 3.98Å; Y127-F159 HydrophobicContact CE2-CZ 4.03Å; L130-F159 HydrophobicContact CD1-CB 4.49Å; L130-F159 HydrophobicContact CD1-CD2 3.7Å; L130-F159 HydrophobicContact CD1-CE2 4.44Å; L130-F159 HydrophobicContact CD1-CG 4.47Å; F155-F159 WeakPolarHBondContact O-CB 3.39Å; F155-F159 PolarHBondContact O-N 3.07Å; K157-F159 PolarHBondContact O-N 3.11Å; F159-A162 PolarHBondContact O-N 3.24Å; F159-L163 VanDerWaalsContact O-CB 3.3Å; F159-L163 WeakPolarHBondContact O-CB 3.28Å; F159-L163 PolarHBondContact O-N 3.15Å; F159-L172 HydrophobicContact CD1-CD1 4.28Å; F159-L172 HydrophobicContact CD1-CD2 4.35Å; F159-L172 HydrophobicContact CE1-CD1 4.01Å; F159-Y290 HydrophobicContact CB-CD1 4.23Å; F159-Y290 HydrophobicContact CB-CE1 4.21Å; F159-Y290 AromaticContact CD1-CD1 3.73Å; F159-Y290 HydrophobicContact CD1-CD1 3.73Å; F159-Y290 HydrophobicContact CD1-CE1 4.19Å; F159-Y290 HydrophobicContact CD1-CG 4.15Å; F159-Y290 AromaticContact CD2-CD1 3.54Å; F159-Y290 HydrophobicContact CD2-CD1 3.54Å; F159-Y290 AromaticContact CD2-CE1 3.09Å; F159-Y290 HydrophobicContact CD2-CE1 3.09Å; F159-Y290 HydrophobicContact CD2-CE2 4.3Å; F159-Y290 HydrophobicContact CD2-CG 4.3Å; F159-Y290 AromaticContact CD2-CZ 3.54Å; F159-Y290 AromaticContact CE1-CD1 3.87Å; F159-Y290 HydrophobicContact CE1-CD1 3.87Å; F159-Y290 HydrophobicContact CE1-CD2 4.28Å; F159-Y290 HydrophobicContact CE1-CE1 4.35Å; F159-Y290 AromaticContact CE1-CG 3.83Å; F159-Y290 HydrophobicContact CE1-CG 3.83Å; F159-Y290 AromaticContact CE2-CD1 3.69Å; F159-Y290 HydrophobicContact CE2-CD1 3.69Å; F159-Y290 AromaticContact CE2-CD2 3.96Å; F159-Y290 HydrophobicContact CE2-CD2 3.96Å; F159-Y290 AromaticContact CE2-CE1 3.3Å; F159-Y290 HydrophobicContact CE2-CE1 3.3Å; F159-Y290 AromaticContact CE2-CE2 3.62Å; F159-Y290 HydrophobicContact CE2-CE2 3.62Å; F159-Y290 AromaticContact CE2-CG 4Å; F159-Y290 HydrophobicContact CE2-CG 4Å; F159-Y290 AromaticContact CE2-CZ 3.26Å; F159-Y290 AromaticContact CG-CD1 3.56Å; F159-Y290 HydrophobicContact CG-CD1 3.56Å; F159-Y290 AromaticContact CG-CE1 3.59Å; F159-Y290 HydrophobicContact CG-CE1 3.59Å; F159-Y290 HydrophobicContact CG-CG 4.37Å; F159-Y290 AromaticContact CZ-CD1 3.83Å; F159-Y290 HydrophobicContact CZ-CD1 3.83Å; F159-Y290 AromaticContact CZ-CD2 3.75Å; F159-Y290 HydrophobicContact CZ-CD2 3.75Å; F159-Y290 AromaticContact CZ-CE1 3.93Å; F159-Y290 HydrophobicContact CZ-CE1 3.93Å; F159-Y290 AromaticContact CZ-CE2 3.86Å; F159-Y290 HydrophobicContact CZ-CE2 3.86Å; F159-Y290 AromaticContact CZ-CG 3.74Å; F159-Y290 HydrophobicContact CZ-CG 3.74Å; F159-Y290 AromaticContact CZ-CZ 3.95Å
160E97.9Very high96.7Very high5 Ų58.3 Ų8.32%0.0234%0.043CC..Hα-helixtrans-68.4-36.5177.1-170.6169.5-121.400111.8A93 R95 L156 K157 L163 R164 L172A93-E160 HydrophobicContact CB-CG 4.44Å; A93-E160 WeakPolarHBondContact CB-OE1 3.48Å; R95-E160 IonicContact CZ-OE1 3.67Å; R95-E160 IonicContact CZ-OE2 3.47Å; R95-E160 IonicContact NE-OE1 2.68Å; R95-E160 PolarHBondContact NE-OE1 3.08Å; R95-E160 VanDerWaalsContact NE-OE1 3.09Å; R95-E160 IonicContact NE-OE2 3.43Å; R95-E160 PolarHBondContact NE-OE2 2.71Å; R95-E160 VanDerWaalsContact NE-OE2 3.15Å; R95-E160 IonicContact NH2-OE1 2.99Å; R95-E160 IonicContact NH2-OE2 2.71Å; R95-E160 PolarHBondContact NH2-OE2 3.41Å; L156-E160 VanDerWaalsContact O-CB 3.26Å; L156-E160 WeakPolarHBondContact O-CB 3.43Å; L156-E160 PolarHBondContact O-N 3.27Å; K157-E160 PolarHBondContact O-N 2.93Å; E160-L163 PolarHBondContact O-N 2.79Å; E160-R164 VanDerWaalsContact O-CB 3.32Å; E160-R164 WeakPolarHBondContact O-CB 3.41Å; E160-R164 WeakPolarHBondContact O-CG 3.43Å; E160-R164 PolarHBondContact O-N 2.59Å; E160-L172 HydrophobicContact CG-CB 4.36Å; E160-L172 WeakPolarHBondContact OE1-CB 2.87Å; E160-L172 PolarHBondContact OE1-N 3.44Å
161L97.2Very high96.6Very high4 Ų49.3 Ų9.32%0.0215%0.051CC..Hα-helixtrans-64.5-42.6170.6-65.2-171.3000111.8L62 M65 F71 K157 D158 R164 M165 F353L62-L161 HydrophobicContact CD2-CB 4.32Å; M65-L161 HydrophobicContact CB-CD1 4.11Å; M65-L161 HydrophobicContact SD-CD1 4.23Å; F71-L161 HydrophobicContact CB-CD2 4.15Å; F71-L161 HydrophobicContact CD1-CD2 4.04Å; F71-L161 HydrophobicContact CD2-CB 4.03Å; F71-L161 HydrophobicContact CD2-CD1 4.27Å; F71-L161 HydrophobicContact CD2-CD2 3.71Å; F71-L161 HydrophobicContact CD2-CG 4.2Å; F71-L161 HydrophobicContact CE1-CD2 4.38Å; F71-L161 HydrophobicContact CE2-CB 3.94Å; F71-L161 HydrophobicContact CE2-CD2 4.08Å; F71-L161 VanDerWaalsContact CE2-O 3.26Å; F71-L161 WeakPolarHBondContact CE2-O 3.46Å; F71-L161 HydrophobicContact CG-CD2 3.67Å; F71-L161 HydrophobicContact CZ-CD2 4.4Å; F71-L161 WeakPolarHBondContact CZ-O 3.1Å; K157-L161 WeakPolarHBondContact O-CG 3.42Å; K157-L161 PolarHBondContact O-N 2.87Å; D158-L161 PolarHBondContact O-N 3.15Å; L161-R164 PolarHBondContact O-N 3.26Å; L161-M165 PolarHBondContact O-N 2.76Å; L161-F353 HydrophobicContact CD1-CD1 4.46Å; L161-F353 HydrophobicContact CD1-CE1 3.96Å; L161-F353 HydrophobicContact CD2-CD1 3.97Å; L161-F353 HydrophobicContact CD2-CE1 4.12Å; L161-F353 HydrophobicContact CG-CE1 4.5Å
162A97Very high96.6Very high2 Ų29.2 Ų9.22%0.0175%0.051CC..Hα-helixtrans-62.4-43.7176.300000111.9W58 L62 M116 L130 D158 F159 M165 Y166W58-A162 HydrophobicContact CH2-CB 4.38Å; W58-A162 HydrophobicContact CZ2-CB 4.04Å; L62-A162 HydrophobicContact CD1-CB 3.86Å; M116-A162 HydrophobicContact SD-CB 3.6Å; L130-A162 HydrophobicContact CD1-CB 4.02Å; D158-A162 WeakPolarHBondContact O-CB 3.29Å; D158-A162 PolarHBondContact O-N 3.31Å; F159-A162 PolarHBondContact O-N 3.24Å; A162-M165 WeakPolarHBondContact O-CB 3.46Å; A162-M165 PolarHBondContact O-N 2.74Å; A162-Y166 WeakPolarHBondContact O-CD2 3.38Å; A162-Y166 WeakPolarHBondContact O-CE2 3.05Å
163L95.8Very high96.6Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-59.8-44.5174.4-179.575.4000111.6L109 A112 L113 F159 E160 M165 Y166 V170L109-L163 HydrophobicContact CD1-CD1 4.28Å; L109-L163 HydrophobicContact CD1-CD2 3.57Å; A112-L163 HydrophobicContact CB-CD1 3.53Å; A112-L163 HydrophobicContact CB-CG 4.13Å; L113-L163 HydrophobicContact CB-CD1 4.48Å; L113-L163 HydrophobicContact CD2-CD1 3.86Å; L113-L163 HydrophobicContact CG-CD1 3.8Å; F159-L163 VanDerWaalsContact O-CB 3.3Å; F159-L163 WeakPolarHBondContact O-CB 3.28Å; F159-L163 PolarHBondContact O-N 3.15Å; E160-L163 PolarHBondContact O-N 2.79Å; L163-M165 PolarHBondContact O-N 3Å; L163-M165 VanDerWaalsContact O-N 3.16Å; L163-Y166 WeakPolarHBondContact O-CD2 3.42Å; L163-Y166 PolarHBondContact O-N 3.08Å; L163-V170 HydrophobicContact CD1-CG2 4.48Å; L163-V170 HydrophobicContact CD2-CB 4.5Å; L163-V170 HydrophobicContact CD2-CG2 3.61Å; L163-V170 HydrophobicContact CG-CG2 3.66Å
164R95.6Very high96.6Very high6 Ų69 Ų92%0.0235%0.05CC..THydrogen-bonded Turntrans-72.8-3.7-177.2-69.4175.979.3-177.611.7114.7F71 W75 L91 E160 L161 Y166 D167 A168 V170F71-R164 HydrophobicContact CE1-CB 3.97Å; F71-R164 HydrophobicContact CZ-CB 3.67Å; W75-R164 PolarHBondContact NE1-O 3.08Å; L91-R164 PolarHBondContact O-NH1 2.83Å; L91-R164 PolarHBondContact O-NH2 3.16Å; E160-R164 VanDerWaalsContact O-CB 3.32Å; E160-R164 WeakPolarHBondContact O-CB 3.41Å; E160-R164 WeakPolarHBondContact O-CG 3.43Å; E160-R164 PolarHBondContact O-N 2.59Å; L161-R164 PolarHBondContact O-N 3.26Å; R164-Y166 VanDerWaalsContact C-N 3.25Å; R164-D167 VanDerWaalsContact CA-O 3.27Å; R164-D167 WeakPolarHBondContact CA-O 3.49Å; R164-D167 CarbonylContact O-C 3.59Å; R164-A168 VanDerWaalsContact CZ-O 3.29Å; R164-A168 PolarHBondContact NE-O 3.44Å; R164-A168 PolarHBondContact NH2-O 2.83Å; R164-V170 VanDerWaalsContact CD-O 3.31Å; R164-V170 WeakPolarHBondContact CD-O 3.36Å; R164-V170 HydrophobicContact CG-CG2 4.27Å; R164-V170 VanDerWaalsContact CG-O 3.28Å; R164-V170 WeakPolarHBondContact CG-O 3.35Å
165M94.9Very high96.6Very high17 Ų179 Ų98%0.0845%0.05CC..THydrogen-bonded Turntrans-69.5-21.8164.8-68.1-58.3-55.600113.4F71 Y74 W75 N78 A79 L161 A162 L163F71-M165 HydrophobicContact CE2-CG 4.31Å; F71-M165 HydrophobicContact CE2-SD 3.75Å; F71-M165 HydrophobicContact CZ-SD 4.13Å; Y74-M165 HydrophobicContact CD1-CE 4.07Å; Y74-M165 HydrophobicContact CD1-SD 3.6Å; Y74-M165 HydrophobicContact CE1-CE 3.79Å; Y74-M165 HydrophobicContact CE1-CG 4.37Å; Y74-M165 HydrophobicContact CE1-SD 3.58Å; Y74-M165 VanDerWaalsContact CE1-SD 3.58Å; W75-M165 HydrophobicContact CB-SD 4.24Å; W75-M165 HydrophobicContact CG-SD 4.45Å; N78-M165 HydrophobicContact CB-CE 3.78Å; A79-M165 HydrophobicContact CB-CE 4.12Å; L161-M165 PolarHBondContact O-N 2.76Å; A162-M165 WeakPolarHBondContact O-CB 3.46Å; A162-M165 PolarHBondContact O-N 2.74Å; L163-M165 PolarHBondContact O-N 3Å; L163-M165 VanDerWaalsContact O-N 3.16Å
166Y94.7Very high96.6Very high15 Ų159 Ų96%0.0595%0.05CC..THydrogen-bonded Turntrans-102.3-28.2179-50.4-76.5000112.7R115 M116 D119 K126 A162 L163 R164R115-Y166 HydrophobicContact CB-CD1 3.66Å; R115-Y166 HydrophobicContact CB-CE1 4.25Å; R115-Y166 HydrophobicContact CB-CG 3.85Å; R115-Y166 PolarHBondContact NH1-O 3.33Å; M116-Y166 HydrophobicContact CB-CD2 3.96Å; M116-Y166 HydrophobicContact CB-CE2 3.4Å; M116-Y166 VanDerWaalsContact CB-CE2 3.4Å; M116-Y166 HydrophobicContact CG-CE2 3.7Å; M116-Y166 HydrophobicContact SD-CE2 4.19Å; D119-Y166 HydrophobicContact CB-CE1 4.02Å; D119-Y166 WeakPolarHBondContact CB-OH 3.22Å; D119-Y166 WeakPolarHBondContact OD2-CE1 3.49Å; D119-Y166 PolarHBondContact OD2-OH 2.95Å; D119-Y166 VanDerWaalsContact OD2-OH 3.04Å; K126-Y166 WeakPolarHBondContact CD-OH 3.4Å; A162-Y166 WeakPolarHBondContact O-CD2 3.38Å; A162-Y166 WeakPolarHBondContact O-CE2 3.05Å; L163-Y166 WeakPolarHBondContact O-CD2 3.42Å; L163-Y166 PolarHBondContact O-N 3.08Å; R164-Y166 VanDerWaalsContact C-N 3.25Å
167D94.1Very high96.6Very high23 Ų239 Ų912%0.1235%0.05CC..  trans-147.8113.3167.6-174.2-25.5000109.6R108 A112 R164 D169 V170R108-D167 IonicContact CZ-OD1 2.75Å; R108-D167 IonicContact CZ-OD2 2.83Å; R108-D167 IonicContact NE-OD2 3.38Å; R108-D167 PolarHBondContact NE-OD2 2.96Å; R108-D167 VanDerWaalsContact NH2-CG 3.25Å; R108-D167 IonicContact NH2-OD1 2.65Å; R108-D167 PolarHBondContact NH2-OD1 2.6Å; R108-D167 IonicContact NH2-OD2 2.76Å; R108-D167 PolarHBondContact NH2-OD2 2.9Å; A112-D167 HydrophobicContact CB-CB 4.32Å; R164-D167 VanDerWaalsContact CA-O 3.27Å; R164-D167 WeakPolarHBondContact CA-O 3.49Å; R164-D167 CarbonylContact O-C 3.59Å; D167-D169 PolarHBondContact O-N 3.15Å; D167-D169 VanDerWaalsContact O-N 3.15Å; D167-D169 PolarHBondContact OD1-N 2.97Å; D167-V170 HydrophobicContact CB-CG1 3.89Å; D167-V170 HydrophobicContact CB-CG2 4.15Å; D167-V170 WeakPolarHBondContact O-CG2 3.47Å; D167-V170 PolarHBondContact O-N 3.3Å
168A93.9Very high96.6Very high2 Ų29.3 Ų9.32%0.0175%0.052CC..THydrogen-bonded Turntrans-67.1-14.2-175.200000114.6W75 K88 I90 R164W75-A168 HydrophobicContact CZ2-CB 3.87Å; K88-A168 HydrophobicContact CD-CB 4.11Å; I90-A168 HydrophobicContact CD1-CB 4.13Å; I90-A168 HydrophobicContact CG1-CB 4.23Å; R164-A168 VanDerWaalsContact CZ-O 3.29Å; R164-A168 PolarHBondContact NE-O 3.44Å; R164-A168 PolarHBondContact NH2-O 2.83Å
169D92.9Very high96.5Very high83 Ų839.6 Ų9.644%0.4445%0.053SC..THydrogen-bonded Turntrans-100.2-12.6-178.6-45.6-46.7000114.3K88 R108 D167K88-D169 WeakPolarHBondContact CE-OD1 3.4Å; K88-D169 IonicContact NZ-OD1 3.74Å; K88-D169 PolarHBondContact NZ-OD1 2.85Å; K88-D169 IonicContact NZ-OD2 2.84Å; K88-D169 PolarHBondContact NZ-OD2 2.85Å; R108-D169 IonicContact CZ-OD2 3.22Å; R108-D169 IonicContact NH2-OD2 2.86Å; R108-D169 PolarHBondContact NH2-OD2 2.95Å; D167-D169 PolarHBondContact O-N 3.15Å; D167-D169 VanDerWaalsContact O-N 3.15Å; D167-D169 PolarHBondContact OD1-N 2.97Å
170V95.7Very high96.5Very high8 Ų89.6 Ų9.65%0.0485%0.053CC..  trans-68.5140.6-179.9-61.60000111R108 A112 L163 R164 D167R108-V170 HydrophobicContact CB-CG1 3.74Å; A112-V170 HydrophobicContact CB-CG2 4.18Å; L163-V170 HydrophobicContact CD1-CG2 4.48Å; L163-V170 HydrophobicContact CD2-CB 4.5Å; L163-V170 HydrophobicContact CD2-CG2 3.61Å; L163-V170 HydrophobicContact CG-CG2 3.66Å; R164-V170 VanDerWaalsContact CD-O 3.31Å; R164-V170 WeakPolarHBondContact CD-O 3.36Å; R164-V170 HydrophobicContact CG-CG2 4.27Å; R164-V170 VanDerWaalsContact CG-O 3.28Å; R164-V170 WeakPolarHBondContact CG-O 3.35Å; D167-V170 HydrophobicContact CB-CG1 3.89Å; D167-V170 HydrophobicContact CB-CG2 4.15Å; D167-V170 WeakPolarHBondContact O-CG2 3.47Å; D167-V170 PolarHBondContact O-N 3.3Å
171A97Very high96.4Very high21 Ų2111.6 Ų11.617%0.1746%0.063CC..  trans-114.4149.817200000109A93 Q94 P173A93-A171 HydrophobicContact CB-CB 3.78Å; Q94-A171 VanDerWaalsContact O-CB 3.23Å; Q94-A171 WeakPolarHBondContact O-CB 3.19Å; A171-P173 WeakPolarHBondContact O-CD 3.47Å
172L97.8Very high96Very high0 Ų012.5 Ų12.50%07%0.069CC..  trans-79.2110.4175.4-176.469.4000109.8R95 L156 F159 E160 F291 A294R95-L172 VanDerWaalsContact CB-O 3.25Å; R95-L172 WeakPolarHBondContact CB-O 3.14Å; R95-L172 WeakPolarHBondContact CD-O 3.38Å; R95-L172 WeakPolarHBondContact CG-O 3.27Å; L156-L172 HydrophobicContact CD2-CD2 3.52Å; F159-L172 HydrophobicContact CD1-CD1 4.28Å; F159-L172 HydrophobicContact CD1-CD2 4.35Å; F159-L172 HydrophobicContact CE1-CD1 4.01Å; E160-L172 HydrophobicContact CG-CB 4.36Å; E160-L172 WeakPolarHBondContact OE1-CB 2.87Å; E160-L172 PolarHBondContact OE1-N 3.44Å; L172-F291 HydrophobicContact CD1-CD1 3.92Å; L172-F291 HydrophobicContact CD1-CE1 3.8Å; L172-A294 HydrophobicContact CD2-CB 4.31Å; L172-A294 HydrophobicContact CG-CB 4.47Å
173P98.3Very high95.9Very high2 Ų212.9 Ų12.91%0.0137%0.071CC..  trans-75.1163.4-18035.2-38.8000111.2R96 I98 L109 A171 F291R96-P173 CarbonylContact O-C 3.55Å; R96-P173 WeakPolarHBondContact O-CA 3Å; R96-P173 VanDerWaalsContact O-CB 3.22Å; R96-P173 WeakPolarHBondContact O-CB 3.43Å; I98-P173 HydrophobicContact CD1-CG 4.24Å; I98-P173 HydrophobicContact CG1-CB 3.59Å; I98-P173 HydrophobicContact CG1-CG 3.56Å; L109-P173 HydrophobicContact CD2-CG 3.51Å; A171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-F291 HydrophobicContact CG-CD1 3.95Å; P173-F291 HydrophobicContact CG-CE1 3.93Å; P173-F291 WeakPolarHBondContact O-CD1 3.45Å
174Y98.5Very high95.9Very high0 Ų015.3 Ų15.30%09%0.087CC..BIsolated β-bridgetrans-106.2146.9173.862.3-98.7000111.5R95 R96 E97 I98 D176 F291 F295 L298 Y356 D357 I358 R359R95-Y174 WeakPolarHBondContact O-CE1 3.21Å; R96-Y174 VanDerWaalsContact C-CD1 3.43Å; R96-Y174 VanDerWaalsContact O-CD1 3.28Å; R96-Y174 WeakPolarHBondContact O-CD1 3.37Å; R96-Y174 PolarHBondContact O-N 3.29Å; E97-Y174 WeakPolarHBondContact CA-O 3.39Å; E97-Y174 HydrophobicContact CB-CD2 4.13Å; E97-Y174 HydrophobicContact CB-CE2 3.55Å; E97-Y174 HydrophobicContact CG-CD2 3.95Å; E97-Y174 HydrophobicContact CG-CE2 3.57Å; I98-Y174 PolarHBondContact N-O 2.8Å; Y174-D176 HydrophobicContact CD2-CB 4.44Å; Y174-D176 HydrophobicContact CE2-CB 4.39Å; Y174-F291 WeakPolarHBondContact CA-O 3.43Å; Y174-F295 AromaticContact CD2-CD2 3.68Å; Y174-F295 HydrophobicContact CD2-CD2 3.68Å; Y174-F295 HydrophobicContact CD2-CE2 4.39Å; Y174-F295 HydrophobicContact CE2-CD2 4.24Å; Y174-F295 HydrophobicContact CG-CD2 4.42Å; Y174-L298 HydrophobicContact CD1-CD2 3.95Å; Y174-L298 HydrophobicContact CD2-CD2 3.84Å; Y174-L298 HydrophobicContact CE1-CD2 3.66Å; Y174-L298 HydrophobicContact CE2-CD2 3.55Å; Y174-L298 HydrophobicContact CG-CD2 4.02Å; Y174-L298 VanDerWaalsContact CZ-CD2 3.44Å; Y174-Y356 AromaticContact CD1-CD1 3.73Å; Y174-Y356 HydrophobicContact CD1-CD1 3.73Å; Y174-Y356 AromaticContact CD1-CE1 3.99Å; Y174-Y356 HydrophobicContact CD1-CE1 3.99Å; Y174-Y356 HydrophobicContact CE1-CD1 4Å; Y174-D357 PolarHBondContact OH-O 2.87Å; Y174-D357 VanDerWaalsContact OH-O 3.04Å; Y174-I358 PolarHBondContact OH-O 3.48Å; Y174-R359 HydrophobicContact CE2-CG 4.36Å; Y174-R359 WeakPolarHBondContact OH-CA 3.26Å; Y174-R359 PolarHBondContact OH-N 3.37Å
175W98.2Very high95.8Very high0 Ų015.4 Ų15.40%09%0.089CC..  trans-101.7107172.6173.336.1000110.5I98 S177 D180 W192 F197 L236 V269 V273 V288 F291 H292 F295I98-W175 HydrophobicContact CD1-CB 4.09Å; W175-S177 PolarHBondContact O-N 2.83Å; W175-S177 VanDerWaalsContact O-N 3.07Å; W175-D180 PolarHBondContact NE1-OD2 2.03Å; W175-W192 HydrophobicContact CH2-CH2 4.24Å; W175-W192 AromaticContact CH2-CZ2 3.68Å; W175-W192 HydrophobicContact CH2-CZ2 3.68Å; W175-W192 AromaticContact CZ2-CZ2 3.86Å; W175-W192 HydrophobicContact CZ2-CZ2 3.86Å; W175-W192 HydrophobicContact CZ3-CZ2 4.42Å; W175-F197 HydrophobicContact CB-CZ 4.31Å; W175-F197 HydrophobicContact CD2-CE2 4Å; W175-F197 HydrophobicContact CD2-CZ 4.42Å; W175-F197 HydrophobicContact CE3-CE2 4.17Å; W175-F197 HydrophobicContact CG-CE2 4.24Å; W175-F197 HydrophobicContact CG-CZ 4.24Å; W175-L236 HydrophobicContact CH2-CD2 3.93Å; W175-L236 HydrophobicContact CZ2-CD2 4.28Å; W175-V269 HydrophobicContact CH2-CG1 3.98Å; W175-V269 HydrophobicContact CZ3-CG1 3.67Å; W175-V273 HydrophobicContact CH2-CG2 3.85Å; W175-V273 HydrophobicContact CZ3-CG2 3.76Å; W175-V288 HydrophobicContact CE3-CG1 3.86Å; W175-V288 HydrophobicContact CZ3-CG1 3.8Å; W175-F291 HydrophobicContact CB-CB 4.01Å; W175-F291 PolarHBondContact N-O 2.86Å; W175-H292 HydrophobicContact CE3-CB 4.49Å; W175-F295 VanDerWaalsContact O-CB 3.31Å; W175-F295 WeakPolarHBondContact O-CB 3.41Å; W175-F295 WeakPolarHBondContact O-CD1 3.36Å; W175-F295 WeakPolarHBondContact O-CG 3.11Å
176D97.9Very high95.9Very high0 Ų015.9 Ų15.90%09%0.093CC..  trans-80.586.5175.1-171-20.7000110.7E97 R99 Y174 T178 M179 F295 R359E97-D176 HydrophobicContact CG-CB 3.72Å; E97-D176 PolarHBondContact OE1-N 3.09Å; R99-D176 PolarHBondContact NH2-O 2.86Å; Y174-D176 HydrophobicContact CD2-CB 4.44Å; Y174-D176 HydrophobicContact CE2-CB 4.39Å; D176-T178 PolarHBondContact O-N 2.75Å; D176-T178 VanDerWaalsContact O-N 3.09Å; D176-T178 VanDerWaalsContact OD1-CB 3.32Å; D176-T178 WeakPolarHBondContact OD1-CB 3.13Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.15Å; D176-T178 PolarHBondContact OD1-N 2.91Å; D176-T178 PolarHBondContact OD1-OG1 2.99Å; D176-M179 HydrophobicContact CB-CE 4.28Å; D176-M179 HydrophobicContact CB-CG 4.19Å; D176-M179 HydrophobicContact CB-SD 4.32Å; D176-M179 WeakPolarHBondContact O-CB 3.23Å; D176-M179 PolarHBondContact O-N 2.77Å; D176-M179 VanDerWaalsContact O-N 3.11Å; D176-F295 HydrophobicContact CB-CD2 4.12Å; D176-F295 HydrophobicContact CB-CE2 3.72Å; D176-F295 HydrophobicContact CB-CZ 3.99Å; D176-F295 VanDerWaalsContact CG-CE2 3.44Å; D176-F295 WeakPolarHBondContact OD1-CZ 3.29Å; D176-R359 IonicContact OD1-NH2 3.16Å; D176-R359 PolarHBondContact OD1-NH2 3.15Å; D176-R359 IonicContact OD2-CZ 3.29Å; D176-R359 IonicContact OD2-NE 3.47Å; D176-R359 PolarHBondContact OD2-NE 3.18Å; D176-R359 IonicContact OD2-NH2 2.96Å; D176-R359 PolarHBondContact OD2-NH2 3.42Å
177S97.7Very high96Very high0 Ų016.8 Ų16.80%010%0.102CC..THydrogen-bonded Turntrans-63.1-12.2179.261.50000114.6W175 M179 D180 E181W175-S177 PolarHBondContact O-N 2.83Å; W175-S177 VanDerWaalsContact O-N 3.07Å; S177-M179 PolarHBondContact O-N 3.03Å; S177-D180 PolarHBondContact O-N 2.92Å; S177-E181 PolarHBondContact O-N 3.06Å
178T97Very high96.1Very high8 Ų816.9 Ų16.95%0.04910%0.102CC..Hα-helixtrans-70.4-20.3174.576.80000112.6D176 L237 V242 F295 R359D176-T178 PolarHBondContact O-N 2.75Å; D176-T178 VanDerWaalsContact O-N 3.09Å; D176-T178 VanDerWaalsContact OD1-CB 3.32Å; D176-T178 WeakPolarHBondContact OD1-CB 3.13Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.15Å; D176-T178 PolarHBondContact OD1-N 2.91Å; D176-T178 PolarHBondContact OD1-OG1 2.99Å; T178-L237 WeakPolarHBondContact CA-O 3.39Å; T178-L237 HydrophobicContact CG2-CB 3.7Å; T178-L237 WeakPolarHBondContact CG2-O 3.5Å; T178-V242 HydrophobicContact CG2-CG2 3.94Å; T178-F295 HydrophobicContact CG2-CE1 4.29Å; T178-F295 HydrophobicContact CG2-CZ 4.26Å; T178-R359 PolarHBondContact OG1-NH2 3.11Å
179M96.6Very high96.3Very high5 Ų516.8 Ų16.83%0.02510%0.101CC..Hα-helixtrans-77-24.8174.2-58.8-169.8175.700112.5E97 D176 S177 P360 L374 C383 S385E97-M179 HydrophobicContact CG-SD 4.44Å; D176-M179 HydrophobicContact CB-CE 4.28Å; D176-M179 HydrophobicContact CB-CG 4.19Å; D176-M179 HydrophobicContact CB-SD 4.32Å; D176-M179 WeakPolarHBondContact O-CB 3.23Å; D176-M179 PolarHBondContact O-N 2.77Å; D176-M179 VanDerWaalsContact O-N 3.11Å; S177-M179 PolarHBondContact O-N 3.03Å; M179-P360 HydrophobicContact CE-CB 3.87Å; M179-P360 HydrophobicContact CE-CG 3.87Å; M179-L374 HydrophobicContact SD-CD1 4Å; M179-L374 HydrophobicContact SD-CD2 3.71Å; M179-C383 HydrophobicContact CE-CB 4.19Å; M179-C383 HydrophobicContact SD-CB 4.38Å; M179-S385 WeakPolarHBondContact O-CB 3.49Å; M179-S385 PolarHBondContact O-N 3.34Å
180D97.5Very high96.5Very high0 Ų013 Ų130%08%0.081CC..Hα-helixtrans-90.4-36.7177.2-59.4-78.3000112R99 W175 S177 S182 L183 P186 L236 S385R99-D180 IonicContact CZ-OD2 3.62Å; R99-D180 IonicContact NH1-OD1 2.91Å; R99-D180 PolarHBondContact NH1-OD1 3.43Å; R99-D180 IonicContact NH1-OD2 3.06Å; R99-D180 PolarHBondContact NH1-OD2 3.21Å; R99-D180 IonicContact NH2-OD2 2.78Å; R99-D180 PolarHBondContact NH2-OD2 3.45Å; W175-D180 PolarHBondContact NE1-OD2 2.03Å; S177-D180 PolarHBondContact O-N 2.92Å; D180-S182 PolarHBondContact O-N 3.46Å; D180-L183 WeakPolarHBondContact O-CB 3.45Å; D180-L183 WeakPolarHBondContact O-CG 3.35Å; D180-L183 PolarHBondContact O-N 2.95Å; D180-P186 HydrophobicContact CB-CB 4.47Å; D180-P186 VanDerWaalsContact O-CB 3.23Å; D180-P186 WeakPolarHBondContact O-CB 3.11Å; D180-P186 VanDerWaalsContact O-CG 3.31Å; D180-P186 WeakPolarHBondContact O-CG 3.5Å; D180-L236 HydrophobicContact CB-CD1 3.73Å; D180-S385 WeakPolarHBondContact OD1-CB 3.49Å; D180-S385 PolarHBondContact OD1-OG 3.25Å
181E96.2Very high96.5Very high47 Ų4712.7 Ų12.722%0.228%0.079CC..Hα-helixtrans-48.3-36.6-175.4-174.1-86.8175.700114.1S177 P186 L236 L237 R238S177-E181 PolarHBondContact O-N 3.06Å; E181-P186 WeakPolarHBondContact O-CG 3.47Å; E181-L236 HydrophobicContact CB-CB 3.84Å; E181-L236 HydrophobicContact CB-CD1 4.48Å; E181-L236 HydrophobicContact CG-CB 4.1Å; E181-L237 WeakPolarHBondContact CB-O 3.45Å; E181-R238 HydrophobicContact CG-CG 4.07Å; E181-R238 WeakPolarHBondContact OE1-CG 3.24Å; E181-R238 IonicContact OE1-NE 3.75Å; E181-R238 PolarHBondContact OE1-NE 2.99Å
182S89Confident96.5Very high23 Ų2311.9 Ų11.916%0.1617%0.072CC..THydrogen-bonded Turntrans-95.19.3-172.5-66.60000114.7D180 R382 M384D180-S182 PolarHBondContact O-N 3.46Å; S182-R382 PolarHBondContact OG-NH1 3.36Å; S182-R382 PolarHBondContact OG-NH2 3.33Å; S182-M384 VanDerWaalsContact O-CE 3.24Å; S182-M384 WeakPolarHBondContact O-CE 3.31Å
183L95.6Very high96.3Very high11 Ų1113.2 Ų13.26%0.0588%0.08CC..SBendtrans-69.1153.9166.6-70.1-179.6000111.3D180 A185 P186 G189 M384 S385 V387 I401D180-L183 WeakPolarHBondContact O-CB 3.45Å; D180-L183 WeakPolarHBondContact O-CG 3.35Å; D180-L183 PolarHBondContact O-N 2.95Å; L183-A185 PolarHBondContact O-N 3.44Å; L183-P186 HydrophobicContact CB-CG 4.41Å; L183-G189 VanDerWaalsContact CD1-CA 3.49Å; L183-M384 HydrophobicContact CD2-CE 4.37Å; L183-S385 WeakPolarHBondContact CD2-O 3.18Å; L183-V387 HydrophobicContact CD1-CG2 3.99Å; L183-V387 HydrophobicContact CD2-CG2 3.48Å; L183-V387 VanDerWaalsContact CD2-CG2 3.48Å; L183-V387 HydrophobicContact CG-CG2 4.26Å; L183-I401 HydrophobicContact CD2-CD1 4Å; L183-I401 HydrophobicContact CD2-CG1 4.34Å
184P94.5Very high96.1Very high50 Ų5021.4 Ų21.433%0.32512%0.115SC..SBendtrans-56.9-29.7171.5-26.336.6000113.6K392 A394 F396P184-K392 HydrophobicContact CB-CB 4.16Å; P184-A394 WeakPolarHBondContact CG-O 3.46Å; P184-F396 HydrophobicContact CG-CD2 3.68Å; P184-F396 HydrophobicContact CG-CE2 3.8Å
185A94.9Very high95.8Very high8 Ų823.1 Ų23.17%0.06613%0.129CC..SBendtrans-144.2104.1166.700000109.5L183 S187 D188 K392L183-A185 PolarHBondContact O-N 3.44Å; A185-S187 PolarHBondContact O-N 2.93Å; A185-S187 VanDerWaalsContact O-N 3.08Å; A185-D188 HydrophobicContact CB-CB 4.4Å; A185-D188 WeakPolarHBondContact CB-OD2 3.5Å; A185-D188 WeakPolarHBondContact O-CB 3.45Å; A185-D188 PolarHBondContact O-N 3.46Å; A185-K392 HydrophobicContact CB-CB 4.33Å; A185-K392 HydrophobicContact CB-CD 4.08Å; A185-K392 HydrophobicContact CB-CG 4.46Å
186P96.9Very high95.7Very high28 Ų2823.1 Ų23.118%0.18213%0.13CC..G310 helixtrans-63.2-17.1-176.7-26.336.3000115.1D180 E181 L183 D188 G189 W192 L236 W272D180-P186 HydrophobicContact CB-CB 4.47Å; D180-P186 VanDerWaalsContact O-CB 3.23Å; D180-P186 WeakPolarHBondContact O-CB 3.11Å; D180-P186 VanDerWaalsContact O-CG 3.31Å; D180-P186 WeakPolarHBondContact O-CG 3.5Å; E181-P186 WeakPolarHBondContact O-CG 3.47Å; L183-P186 HydrophobicContact CB-CG 4.41Å; P186-D188 PolarHBondContact O-N 3.41Å; P186-G189 PolarHBondContact O-N 2.69Å; P186-W192 PolarHBondContact O-NE1 3.32Å; P186-L236 HydrophobicContact CB-CD1 3.79Å; P186-W272 HydrophobicContact CB-CH2 4.1Å; P186-W272 HydrophobicContact CB-CZ2 3.69Å
187S95.7Very high95.7Very high34 Ų3423.1 Ų23.124%0.23813%0.13CC..G310 helixtrans-68-14.7169.455.80000113.9A185 N200 K388A185-S187 PolarHBondContact O-N 2.93Å; A185-S187 VanDerWaalsContact O-N 3.08Å; S187-N200 PolarHBondContact O-ND2 2.84Å; S187-K388 PolarHBondContact O-NZ 2.81Å
188D96.8Very high95.5Very high24 Ų2423.1 Ų23.113%0.12813%0.13CC..G310 helixtrans-98.3-0.9-179.2-60.7-14.6000112.8A185 P186 V387 K388 G391 K392A185-D188 HydrophobicContact CB-CB 4.4Å; A185-D188 WeakPolarHBondContact CB-OD2 3.5Å; A185-D188 WeakPolarHBondContact O-CB 3.45Å; A185-D188 PolarHBondContact O-N 3.46Å; P186-D188 PolarHBondContact O-N 3.41Å; D188-V387 HydrophobicContact CB-CG1 3.98Å; D188-V387 WeakPolarHBondContact O-CA 3.49Å; D188-K388 WeakPolarHBondContact O-CG 3.3Å; D188-K388 PolarHBondContact O-N 2.92Å; D188-K388 IonicContact OD1-NZ 2.64Å; D188-G391 WeakPolarHBondContact OD2-CA 3.28Å; D188-K392 PolarHBondContact OD2-N 3.32Å
189G97.1Very high95.3Very high0 Ų023.8 Ų23.80%013%0.133CC..BIsolated β-bridgetrans-57.8146173.600000112.7L183 P186 I191 W192 K386L183-G189 VanDerWaalsContact CD1-CA 3.49Å; P186-G189 PolarHBondContact O-N 2.69Å; G189-I191 PolarHBondContact O-N 2.85Å; G189-W192 PolarHBondContact O-N 2.88Å; G189-K386 CarbonylContact C-O 3.45Å; G189-K386 WeakPolarHBondContact CA-O 3.37Å
190I96.7Very high95Very high5 Ų524.1 Ų24.13%0.02614%0.135CC..G310 helixtrans-56.4-25.3-174.9-17156.5000113.7W192 T193 F196 Y373 K386 Y403I190-W192 PolarHBondContact O-N 2.76Å; I190-T193 HydrophobicContact CD1-CG2 3.91Å; I190-T193 WeakPolarHBondContact O-CB 3.33Å; I190-T193 WeakPolarHBondContact O-CG2 3.34Å; I190-T193 PolarHBondContact O-N 2.9Å; I190-T193 PolarHBondContact O-OG1 3.25Å; I190-F196 HydrophobicContact CG1-CD2 4.48Å; I190-F196 HydrophobicContact CG1-CE2 4.23Å; I190-Y373 HydrophobicContact CG1-CD1 4.02Å; I190-Y373 WeakPolarHBondContact CG2-O 3.35Å; I190-K386 WeakPolarHBondContact CB-O 3.47Å; I190-K386 PolarHBondContact N-O 3.08Å; I190-Y403 HydrophobicContact CD1-CD1 3.6Å; I190-Y403 HydrophobicContact CD1-CD2 4.13Å; I190-Y403 HydrophobicContact CD1-CE1 4.21Å; I190-Y403 HydrophobicContact CD1-CG 3.56Å; I190-Y403 HydrophobicContact CG1-CD2 4.19Å; I190-Y403 HydrophobicContact CG1-CG 4.07Å
191I96.8Very high94.5Very high0 Ų028.6 Ų28.60%016%0.159CC..G310 helixtrans-60.5-25.7175.1-156.977000112.6I98 R99 G189 T193 F196 F197I98-I191 HydrophobicContact CB-CD1 4.23Å; I98-I191 HydrophobicContact CG2-CD1 3.69Å; R99-I191 HydrophobicContact CG-CD1 4.35Å; G189-I191 PolarHBondContact O-N 2.85Å; I191-T193 VanDerWaalsContact C-N 3.29Å; I191-T193 PolarHBondContact O-N 3.27Å; I191-F196 HydrophobicContact CD1-CB 3.9Å; I191-F196 HydrophobicContact CD1-CD1 4.11Å; I191-F196 HydrophobicContact CD1-CG 3.96Å; I191-F196 HydrophobicContact CG1-CB 4.3Å; I191-F196 WeakPolarHBondContact O-CB 3.37Å; I191-F197 HydrophobicContact CD1-CD2 4.48Å; I191-F197 HydrophobicContact CD1-CE1 4.22Å; I191-F197 HydrophobicContact CD1-CE2 4.12Å; I191-F197 HydrophobicContact CD1-CZ 3.98Å; I191-F197 HydrophobicContact CG1-CD1 4.37Å; I191-F197 HydrophobicContact CG1-CD2 3.5Å; I191-F197 VanDerWaalsContact CG1-CD2 3.5Å; I191-F197 HydrophobicContact CG1-CE1 4.21Å; I191-F197 HydrophobicContact CG1-CE2 3.34Å; I191-F197 HydrophobicContact CG1-CG 4.04Å; I191-F197 HydrophobicContact CG1-CZ 3.73Å; I191-F197 HydrophobicContact CG2-CD2 4.49Å; I191-F197 WeakPolarHBondContact O-CB 3.37Å; I191-F197 PolarHBondContact O-N 2.91Å
192W96Very high94Very high5 Ų526.6 Ų26.62%0.01915%0.15CC..G310 helixtrans-93.140.8177.3-54.6114.4000113W175 P186 G189 I190 F197 G198 N200 W272 V273W175-W192 HydrophobicContact CH2-CH2 4.24Å; W175-W192 AromaticContact CH2-CZ2 3.68Å; W175-W192 HydrophobicContact CH2-CZ2 3.68Å; W175-W192 AromaticContact CZ2-CZ2 3.86Å; W175-W192 HydrophobicContact CZ2-CZ2 3.86Å; W175-W192 HydrophobicContact CZ3-CZ2 4.42Å; P186-W192 PolarHBondContact O-NE1 3.32Å; G189-W192 PolarHBondContact O-N 2.88Å; I190-W192 PolarHBondContact O-N 2.76Å; W192-F197 HydrophobicContact CE3-CB 4.11Å; W192-F197 HydrophobicContact CE3-CD2 4.07Å; W192-F197 AromaticContact CH2-CD2 3.75Å; W192-F197 HydrophobicContact CH2-CD2 3.75Å; W192-F197 HydrophobicContact CH2-CE2 4.3Å; W192-F197 HydrophobicContact CZ2-CD2 4.35Å; W192-F197 HydrophobicContact CZ3-CB 4.03Å; W192-F197 AromaticContact CZ3-CD2 3.59Å; W192-F197 HydrophobicContact CZ3-CD2 3.59Å; W192-F197 HydrophobicContact CZ3-CG 4.3Å; W192-G198 CarbonylContact C-O 3.58Å; W192-G198 VanDerWaalsContact CA-O 3.32Å; W192-G198 WeakPolarHBondContact CA-O 3.32Å; W192-N200 HydrophobicContact CB-CB 4.17Å; W192-N200 VanDerWaalsContact CB-ND2 3.29Å; W192-N200 WeakPolarHBondContact CB-ND2 3.32Å; W192-N200 HydrophobicContact CD2-CB 3.82Å; W192-N200 HydrophobicContact CE3-CB 3.57Å; W192-N200 HydrophobicContact CG-CB 4.09Å; W192-N200 HydrophobicContact CZ3-CB 4.3Å; W192-W272 AromaticContact CE2-CZ3 3.92Å; W192-W272 AromaticContact CZ2-CZ3 3.67Å; W192-W272 HydrophobicContact CZ2-CZ3 3.67Å; W192-W272 AromaticContact NE1-CH2 3.81Å; W192-W272 AromaticContact NE1-CZ3 3.84Å; W192-V273 HydrophobicContact CH2-CG1 3.98Å; W192-V273 HydrophobicContact CH2-CG2 4Å; W192-V273 HydrophobicContact CZ2-CG2 4.32Å
193T94.9Very high93.9Very high28 Ų2827.4 Ų27.417%0.17215%0.15CC..SBendtrans-124.7167.3175.366.90000111.3I190 I191 A195 F196 G198 K388I190-T193 HydrophobicContact CD1-CG2 3.91Å; I190-T193 WeakPolarHBondContact O-CB 3.33Å; I190-T193 WeakPolarHBondContact O-CG2 3.34Å; I190-T193 PolarHBondContact O-N 2.9Å; I190-T193 PolarHBondContact O-OG1 3.25Å; I191-T193 VanDerWaalsContact C-N 3.29Å; I191-T193 PolarHBondContact O-N 3.27Å; T193-A195 PolarHBondContact O-N 3.33Å; T193-F196 PolarHBondContact O-N 3.22Å; T193-G198 VanDerWaalsContact O-CA 3.29Å; T193-G198 WeakPolarHBondContact O-CA 3.26Å; T193-G198 PolarHBondContact O-N 3.23Å; T193-K388 HydrophobicContact CG2-CB 3.55Å; T193-K388 HydrophobicContact CG2-CD 3.98Å; T193-K388 HydrophobicContact CG2-CG 4.36Å
194K94.1Very high93.6Very high173 Ų17327.2 Ų27.275%0.75215%0.149SC*.THydrogen-bonded Turntrans-57.3-17.3177.670.9-178.3-178-176.40114.8A206 G207K194-A206 HydrophobicContact CB-CB 4.3Å; K194-G207 WeakPolarHBondContact O-CA 3.37Å
195A91.4Very high93.3Very high36 Ų3630.2 Ų30.230%0.29816%0.162SC..THydrogen-bonded Turntrans-74.5-34.2176.400000112.2W106 T193W106-A195 PolarHBondContact NE1-O 2.84Å; T193-A195 PolarHBondContact O-N 3.33Å
196F96.7Very high92.9Very high1 Ų131.2 Ų31.20%0.00417%0.171CC..THydrogen-bonded Turntrans-114.9-108.5-174.5-67-74.2000111.4I98 M103 W106 I190 I191 T193 P208 Y373I98-F196 HydrophobicContact CG2-CD1 3.58Å; I98-F196 HydrophobicContact CG2-CE1 3.75Å; M103-F196 HydrophobicContact SD-CZ 4.33Å; W106-F196 HydrophobicContact CD2-CD1 4.19Å; W106-F196 AromaticContact CE2-CD1 3.98Å; W106-F196 HydrophobicContact CZ2-CB 4.42Å; W106-F196 HydrophobicContact CZ2-CD1 4.28Å; I190-F196 HydrophobicContact CG1-CD2 4.48Å; I190-F196 HydrophobicContact CG1-CE2 4.23Å; I191-F196 HydrophobicContact CD1-CB 3.9Å; I191-F196 HydrophobicContact CD1-CD1 4.11Å; I191-F196 HydrophobicContact CD1-CG 3.96Å; I191-F196 HydrophobicContact CG1-CB 4.3Å; I191-F196 WeakPolarHBondContact O-CB 3.37Å; T193-F196 PolarHBondContact O-N 3.22Å; F196-P208 WeakPolarHBondContact O-CD 2.99Å; F196-P208 VanDerWaalsContact O-CG 3.28Å; F196-P208 WeakPolarHBondContact O-CG 3.36Å; F196-Y373 AromaticContact CE2-CD1 3.79Å; F196-Y373 HydrophobicContact CE2-CD1 3.79Å; F196-Y373 HydrophobicContact CE2-CD2 4.22Å; F196-Y373 HydrophobicContact CE2-CE1 4.01Å; F196-Y373 HydrophobicContact CE2-CE2 4.41Å; F196-Y373 AromaticContact CE2-CG 3.92Å; F196-Y373 HydrophobicContact CE2-CG 3.92Å; F196-Y373 HydrophobicContact CZ-CD1 4.06Å; F196-Y373 AromaticContact CZ-CD2 3.64Å; F196-Y373 HydrophobicContact CZ-CD2 3.64Å; F196-Y373 HydrophobicContact CZ-CE1 4.16Å; F196-Y373 AromaticContact CZ-CE2 3.75Å; F196-Y373 HydrophobicContact CZ-CE2 3.75Å; F196-Y373 AromaticContact CZ-CG 3.81Å; F196-Y373 HydrophobicContact CZ-CG 3.81Å
197F96.8Very high92.7Very high0 Ų030.5 Ų30.50%017%0.168CC..THydrogen-bonded Turntrans-75.7-27.6-173.9-61.4-21000112.8I98 W106 W175 I191 W192 R226 V288 F291I98-F197 HydrophobicContact CD1-CE1 3.63Å; I98-F197 HydrophobicContact CD1-CZ 3.6Å; W106-F197 HydrophobicContact CH2-CD1 4.11Å; W106-F197 HydrophobicContact CH2-CE1 4.01Å; W175-F197 HydrophobicContact CB-CZ 4.31Å; W175-F197 HydrophobicContact CD2-CE2 4Å; W175-F197 HydrophobicContact CD2-CZ 4.42Å; W175-F197 HydrophobicContact CE3-CE2 4.17Å; W175-F197 HydrophobicContact CG-CE2 4.24Å; W175-F197 HydrophobicContact CG-CZ 4.24Å; I191-F197 HydrophobicContact CD1-CD2 4.48Å; I191-F197 HydrophobicContact CD1-CE1 4.22Å; I191-F197 HydrophobicContact CD1-CE2 4.12Å; I191-F197 HydrophobicContact CD1-CZ 3.98Å; I191-F197 HydrophobicContact CG1-CD1 4.37Å; I191-F197 HydrophobicContact CG1-CD2 3.5Å; I191-F197 VanDerWaalsContact CG1-CD2 3.5Å; I191-F197 HydrophobicContact CG1-CE1 4.21Å; I191-F197 HydrophobicContact CG1-CE2 3.34Å; I191-F197 HydrophobicContact CG1-CG 4.04Å; I191-F197 HydrophobicContact CG1-CZ 3.73Å; I191-F197 HydrophobicContact CG2-CD2 4.49Å; I191-F197 WeakPolarHBondContact O-CB 3.37Å; I191-F197 PolarHBondContact O-N 2.91Å; W192-F197 HydrophobicContact CE3-CB 4.11Å; W192-F197 HydrophobicContact CE3-CD2 4.07Å; W192-F197 AromaticContact CH2-CD2 3.75Å; W192-F197 HydrophobicContact CH2-CD2 3.75Å; W192-F197 HydrophobicContact CH2-CE2 4.3Å; W192-F197 HydrophobicContact CZ2-CD2 4.35Å; W192-F197 HydrophobicContact CZ3-CB 4.03Å; W192-F197 AromaticContact CZ3-CD2 3.59Å; W192-F197 HydrophobicContact CZ3-CD2 3.59Å; W192-F197 HydrophobicContact CZ3-CG 4.3Å; F197-R226 PolarHBondContact O-NH1 3.18Å; F197-V288 HydrophobicContact CB-CG2 4.29Å; F197-V288 HydrophobicContact CD1-CG2 4.08Å; F197-V288 HydrophobicContact CD2-CG2 3.55Å; F197-V288 HydrophobicContact CE1-CG2 4.27Å; F197-V288 HydrophobicContact CE2-CG1 4.16Å; F197-V288 HydrophobicContact CE2-CG2 3.75Å; F197-V288 HydrophobicContact CG-CG2 3.72Å; F197-V288 HydrophobicContact CZ-CG2 4.11Å; F197-F291 HydrophobicContact CD1-CD2 4.34Å; F197-F291 HydrophobicContact CD1-CE2 4.27Å; F197-F291 AromaticContact CE1-CD2 3.34Å; F197-F291 HydrophobicContact CE1-CD2 3.34Å; F197-F291 AromaticContact CE1-CE2 3.6Å; F197-F291 HydrophobicContact CE1-CE2 3.6Å; F197-F291 HydrophobicContact CE1-CG 4.4Å; F197-F291 AromaticContact CZ-CD2 3.68Å; F197-F291 HydrophobicContact CZ-CD2 3.68Å; F197-F291 HydrophobicContact CZ-CE2 4.38Å; F197-F291 HydrophobicContact CZ-CG 4.48Å
198G94.4Very high92.7Very high0 Ų030.7 Ų30.70%017%0.169CC..  trans99.1-164.4-169.700000112.7W192 T193 A206W192-G198 CarbonylContact C-O 3.58Å; W192-G198 VanDerWaalsContact CA-O 3.32Å; W192-G198 WeakPolarHBondContact CA-O 3.32Å; T193-G198 VanDerWaalsContact O-CA 3.29Å; T193-G198 WeakPolarHBondContact O-CA 3.26Å; T193-G198 PolarHBondContact O-N 3.23Å; G198-A206 WeakPolarHBondContact CA-O 3.16Å
199N91.7Very high92.6Very high21 Ų2129.7 Ų29.711%0.11216%0.163CC..  trans-68.8165.5-179.870-70000112.4D201 Y203 L204 N205 A206N199-D201 WeakPolarHBondContact CB-OD1 3.28Å; N199-D201 PolarHBondContact ND2-OD1 2.8Å; N199-Y203 PolarHBondContact ND2-O 3.01Å; N199-L204 WeakPolarHBondContact OD1-CA 3.33Å; N199-L204 WeakPolarHBondContact OD1-CD1 2.99Å; N199-N205 PolarHBondContact OD1-N 3.37Å; N199-N205 PolarHBondContact OD1-OD1 3.4Å; N199-N205 VanDerWaalsContact OD1-OD1 3.11Å; N199-A206 PolarHBondContact OD1-N 3.02Å
200N92.3Very high92.3Very high13 Ų1335 Ų357%0.0719%0.187CC..  trans-141.519.4-163.768.7-17.4000114.4S187 W192 R226 E227 A228S187-N200 PolarHBondContact O-ND2 2.84Å; W192-N200 HydrophobicContact CB-CB 4.17Å; W192-N200 VanDerWaalsContact CB-ND2 3.29Å; W192-N200 WeakPolarHBondContact CB-ND2 3.32Å; W192-N200 HydrophobicContact CD2-CB 3.82Å; W192-N200 HydrophobicContact CE3-CB 3.57Å; W192-N200 HydrophobicContact CG-CB 4.09Å; W192-N200 HydrophobicContact CZ3-CB 4.3Å; N200-R226 CarbonylContact C-O 3.58Å; N200-R226 VanDerWaalsContact C-O 3.31Å; N200-R226 CarbonylContact O-C 3.56Å; N200-E227 CarbonylContact O-C 3.44Å; N200-E227 VanDerWaalsContact O-CA 3.3Å; N200-E227 WeakPolarHBondContact O-CA 3.39Å; N200-E227 PolarHBondContact O-N 3.44Å; N200-A228 HydrophobicContact CB-CB 3.61Å; N200-A228 WeakPolarHBondContact ND2-CB 3.46Å; N200-A228 PolarHBondContact O-N 3.42Å
201D85.8Confident92.1Very high94 Ų9439.5 Ų39.550%0.50322%0.218SC..EExtended strand (participates in β ladder)trans-126.818.9-166.361-24.6000113.3N199 R226 H726N199-D201 WeakPolarHBondContact CB-OD1 3.28Å; N199-D201 PolarHBondContact ND2-OD1 2.8Å; D201-R226 PolarHBondContact N-O 3.22Å; D201-H726 PolarHBondContact O-CE1 3.18Å; D201-H726 VanDerWaalsContact O-CE1 3.29Å
202G85.4Confident92Very high4 Ų439.9 Ų39.94%0.04122%0.22CC..EExtended strand (participates in β ladder)trans152.3-138179.300000111.8V225 R226G202-V225 WeakPolarHBondContact O-CA 3.41Å; G202-R226 WeakPolarHBondContact CA-O 3.49Å; G202-R226 PolarHBondContact N-O 2.98Å; G202-R226 PolarHBondContact O-N 3.26Å; G202-R226 VanDerWaalsContact O-O 3.13Å
203Y87.8Confident91.9Very high40 Ų4047.5 Ų47.516%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-63.6138172.1-69.1-68.4000111.6N199 N205 V218 Y219 E221 K223 V225 H726N199-Y203 PolarHBondContact ND2-O 3.01Å; Y203-N205 PolarHBondContact O-N 3.11Å; Y203-N205 VanDerWaalsContact O-N 3.14Å; Y203-V218 WeakPolarHBondContact CE1-O 3.49Å; Y203-V218 PolarHBondContact OH-O 2.92Å; Y203-V218 VanDerWaalsContact OH-O 3.08Å; Y203-Y219 WeakPolarHBondContact OH-CB 3.37Å; Y203-Y219 PolarHBondContact OH-O 3.19Å; Y203-E221 HydrophobicContact CD1-CB 4.34Å; Y203-E221 HydrophobicContact CE1-CB 3.58Å; Y203-E221 HydrophobicContact CE1-CG 4.17Å; Y203-E221 HydrophobicContact CE2-CG 4.41Å; Y203-E221 PolarHBondContact OH-N 3.37Å; Y203-K223 HydrophobicContact CD1-CB 4.11Å; Y203-V225 HydrophobicContact CD1-CG2 3.39Å; Y203-V225 HydrophobicContact CE1-CG2 3.41Å; Y203-V225 VanDerWaalsContact CE1-CG2 3.41Å; Y203-V225 HydrophobicContact CG-CG2 4.31Å; Y203-H726 HydrophobicContact CE2-CB 4.45Å
204L90Very high91.7Very high7 Ų746.8 Ų46.84%0.03725%0.249CC..  trans-67.2111.6175.8-164.863.8000110.2N199 A206 F209 K210 V224 R226N199-L204 WeakPolarHBondContact OD1-CA 3.33Å; N199-L204 WeakPolarHBondContact OD1-CD1 2.99Å; L204-A206 VanDerWaalsContact CD1-O 3.26Å; L204-A206 WeakPolarHBondContact CD1-O 3.47Å; L204-F209 HydrophobicContact CD2-CB 3.72Å; L204-K210 HydrophobicContact CG-CB 4.41Å; L204-V224 HydrophobicContact CB-CB 4.17Å; L204-V224 WeakPolarHBondContact CB-O 3.19Å; L204-V224 HydrophobicContact CD2-CB 4.12Å; L204-V224 HydrophobicContact CD2-CG1 4.24Å; L204-V224 PolarHBondContact N-O 3.22Å; L204-R226 VanDerWaalsContact CD1-NH1 3.29Å
205N86.8Confident91.5Very high113 Ų11341.8 Ų41.860%0.60423%0.23SC*.  trans-113.9-16.2179.963.540.8000112.5N199 Y203 K210N199-N205 PolarHBondContact OD1-N 3.37Å; N199-N205 PolarHBondContact OD1-OD1 3.4Å; N199-N205 VanDerWaalsContact OD1-OD1 3.11Å; Y203-N205 PolarHBondContact O-N 3.11Å; Y203-N205 VanDerWaalsContact O-N 3.14Å; N205-K210 WeakPolarHBondContact O-CD 3.13Å
206A87.6Confident91.2Very high29 Ų2942.5 Ų42.524%0.2423%0.227CC..SBendtrans-130.7163.1179.800000111.3K194 G198 N199 L204K194-A206 HydrophobicContact CB-CB 4.3Å; G198-A206 WeakPolarHBondContact CA-O 3.16Å; N199-A206 PolarHBondContact OD1-N 3.02Å; L204-A206 VanDerWaalsContact CD1-O 3.26Å; L204-A206 WeakPolarHBondContact CD1-O 3.47Å
207G92.8Very high90.3Very high13 Ų1345.9 Ų45.913%0.13425%0.251CS..SBendtrans86.2178.2-177.400000114.2K194 F209 K210K194-G207 WeakPolarHBondContact O-CA 3.37Å; G207-F209 PolarHBondContact O-N 2.69Å; G207-K210 WeakPolarHBondContact O-CG 3.25Å; G207-K210 PolarHBondContact O-N 2.81Å
208P93.9Very high88.9Confident39 Ų3946.1 Ų46.125%0.25325%0.252SS..THydrogen-bonded Turntrans-65.4-35.6-169.623.7-32.7000113.2V110 F196 K210V110-P208 HydrophobicContact CB-CB 4.43Å; V110-P208 HydrophobicContact CG1-CB 3.47Å; V110-P208 VanDerWaalsContact CG1-CB 3.47Å; V110-P208 HydrophobicContact CG1-CG 4.4Å; V110-P208 HydrophobicContact CG2-CB 4.02Å; V110-P208 HydrophobicContact CG2-CG 4.06Å; F196-P208 WeakPolarHBondContact O-CD 2.99Å; F196-P208 VanDerWaalsContact O-CG 3.28Å; F196-P208 WeakPolarHBondContact O-CG 3.36Å; P208-K210 PolarHBondContact O-N 2.88Å
209F94.9Very high87.5Confident2 Ų247.7 Ų47.71%0.00926%0.258CS..THydrogen-bonded Turntrans-91.46.8-173.5-42.4-61.2000113.9V110 L113 L204 G207 S211 W212 P287V110-F209 HydrophobicContact CG2-CE1 4.41Å; V110-F209 HydrophobicContact CG2-CZ 4.19Å; L113-F209 HydrophobicContact CD1-CE1 4.02Å; L113-F209 HydrophobicContact CD1-CZ 4.04Å; L204-F209 HydrophobicContact CD2-CB 3.72Å; G207-F209 PolarHBondContact O-N 2.69Å; F209-S211 PolarHBondContact O-N 2.97Å; F209-S211 VanDerWaalsContact O-N 3.07Å; F209-W212 HydrophobicContact CB-CD2 4.05Å; F209-W212 HydrophobicContact CB-CE3 4.38Å; F209-W212 HydrophobicContact CB-CG 4.14Å; F209-W212 HydrophobicContact CD1-CD2 4.05Å; F209-W212 AromaticContact CD1-CE2 3.66Å; F209-W212 HydrophobicContact CD1-CE3 4.34Å; F209-W212 AromaticContact CD1-CH2 3.98Å; F209-W212 HydrophobicContact CD1-CH2 3.98Å; F209-W212 AromaticContact CD1-CZ2 3.63Å; F209-W212 HydrophobicContact CD1-CZ2 3.63Å; F209-W212 HydrophobicContact CD1-CZ3 4.32Å; F209-W212 HydrophobicContact CE1-CH2 4.21Å; F209-W212 HydrophobicContact CE1-CZ2 4.01Å; F209-W212 HydrophobicContact CG-CD2 4.46Å; F209-W212 VanDerWaalsContact O-CB 3.3Å; F209-W212 WeakPolarHBondContact O-CB 3.37Å; F209-W212 PolarHBondContact O-N 2.82Å; F209-P287 HydrophobicContact CD1-CG 3.88Å; F209-P287 HydrophobicContact CD2-CB 4.17Å; F209-P287 HydrophobicContact CD2-CG 3.82Å; F209-P287 HydrophobicContact CE1-CB 4.31Å; F209-P287 HydrophobicContact CE1-CG 3.9Å; F209-P287 HydrophobicContact CE2-CB 3.74Å; F209-P287 HydrophobicContact CE2-CG 3.84Å; F209-P287 HydrophobicContact CG-CG 3.83Å; F209-P287 HydrophobicContact CZ-CB 3.82Å; F209-P287 HydrophobicContact CZ-CG 3.88Å
210K91.6Very high86.3Confident112 Ų11252.6 Ų52.649%0.48729%0.285SS..THydrogen-bonded Turntrans-57.5-26-174.870.4179.7-177.7171.30114.9L204 N205 G207 P208L204-K210 HydrophobicContact CG-CB 4.41Å; N205-K210 WeakPolarHBondContact O-CD 3.13Å; G207-K210 WeakPolarHBondContact O-CG 3.25Å; G207-K210 PolarHBondContact O-N 2.81Å; P208-K210 PolarHBondContact O-N 2.88Å
211S92.1Very high85.5Confident99 Ų9955.8 Ų55.869%0.69230%0.299SS*.THydrogen-bonded Turntrans-93.5-3.6-178.3-57.80000113.2F209F209-S211 PolarHBondContact O-N 2.97Å; F209-S211 VanDerWaalsContact O-N 3.07Å
212W94.8Very high85.6Confident8 Ų853.2 Ų53.23%0.0329%0.291CS..PPolyproline II helixtrans-71.6134.6-174.4-7718.3000112.1L113 D114 K117 Y127 F209 V224 P287L113-W212 HydrophobicContact CB-CH2 4.1Å; L113-W212 HydrophobicContact CB-CZ2 4.1Å; D114-W212 PolarHBondContact OD1-NE1 3.43Å; K117-W212 HydrophobicContact CB-CH2 4.22Å; K117-W212 HydrophobicContact CB-CZ2 3.84Å; K117-W212 HydrophobicContact CD-CD2 4.48Å; K117-W212 HydrophobicContact CD-CE3 4.38Å; K117-W212 HydrophobicContact CG-CD2 3.9Å; K117-W212 HydrophobicContact CG-CE3 4.24Å; K117-W212 HydrophobicContact CG-CG 4.26Å; K117-W212 HydrophobicContact CG-CH2 4.41Å; K117-W212 HydrophobicContact CG-CZ2 4.1Å; K117-W212 HydrophobicContact CG-CZ3 4.47Å; Y127-W212 AromaticContact CD2-CH2 3.9Å; Y127-W212 HydrophobicContact CD2-CH2 3.9Å; Y127-W212 HydrophobicContact CD2-CZ3 4.03Å; Y127-W212 HydrophobicContact CE1-CZ3 4.1Å; Y127-W212 AromaticContact CE2-CH2 3.6Å; Y127-W212 HydrophobicContact CE2-CH2 3.6Å; Y127-W212 AromaticContact CE2-CZ3 3.5Å; Y127-W212 HydrophobicContact CE2-CZ3 3.5Å; Y127-W212 VanDerWaalsContact CE2-CZ3 3.5Å; Y127-W212 AromaticContact CZ-CZ3 3.54Å; F209-W212 HydrophobicContact CB-CD2 4.05Å; F209-W212 HydrophobicContact CB-CE3 4.38Å; F209-W212 HydrophobicContact CB-CG 4.14Å; F209-W212 HydrophobicContact CD1-CD2 4.05Å; F209-W212 AromaticContact CD1-CE2 3.66Å; F209-W212 HydrophobicContact CD1-CE3 4.34Å; F209-W212 AromaticContact CD1-CH2 3.98Å; F209-W212 HydrophobicContact CD1-CH2 3.98Å; F209-W212 AromaticContact CD1-CZ2 3.63Å; F209-W212 HydrophobicContact CD1-CZ2 3.63Å; F209-W212 HydrophobicContact CD1-CZ3 4.32Å; F209-W212 HydrophobicContact CE1-CH2 4.21Å; F209-W212 HydrophobicContact CE1-CZ2 4.01Å; F209-W212 HydrophobicContact CG-CD2 4.46Å; F209-W212 VanDerWaalsContact O-CB 3.3Å; F209-W212 WeakPolarHBondContact O-CB 3.37Å; F209-W212 PolarHBondContact O-N 2.82Å; W212-V224 HydrophobicContact CB-CG2 4.47Å; W212-P287 HydrophobicContact CE3-CG 4.03Å; W212-P287 HydrophobicContact CH2-CG 3.82Å; W212-P287 HydrophobicContact CZ3-CG 3.38Å
213K93.5Very high85.8Confident165 Ų16557.1 Ų57.172%0.71731%0.307SS*.EExtended strand (participates in β ladder)trans-92.3135172.9-65.7178.5-177.2171.90110.6K117 A222K117-K213 VanDerWaalsContact CE-O 3.23Å; K117-K213 WeakPolarHBondContact CE-O 3.46Å; K117-K213 PolarHBondContact NZ-O 3.44Å; K213-A222 VanDerWaalsContact CA-O 3.31Å; K213-A222 WeakPolarHBondContact CA-O 3.32Å
214T91.9Very high86Confident13 Ų1355.3 Ų55.38%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-97.9147.5176.659.60000110.9H216 A222 K223 V224 H276 E285T214-H216 WeakPolarHBondContact CB-O 3.39Å; T214-H216 PolarHBondContact OG1-O 2.86Å; T214-A222 PolarHBondContact N-O 3.36Å; T214-A222 VanDerWaalsContact N-O 3.16Å; T214-A222 WeakPolarHBondContact O-CB 3.48Å; T214-A222 VanDerWaalsContact OG1-CA 3.25Å; T214-A222 WeakPolarHBondContact OG1-CA 3.18Å; T214-K223 PolarHBondContact OG1-N 2.87Å; T214-K223 VanDerWaalsContact OG1-N 3.12Å; T214-V224 HydrophobicContact CG2-CG2 4.01Å; T214-H276 WeakPolarHBondContact CB-NE2 3.46Å; T214-H276 VanDerWaalsContact CG2-NE2 3.3Å; T214-H276 WeakPolarHBondContact CG2-NE2 3.47Å; T214-H276 PolarHBondContact OG1-NE2 3.22Å; T214-E285 VanDerWaalsContact C-OE2 3.26Å; T214-E285 WeakPolarHBondContact CA-OE2 3.43Å; T214-E285 WeakPolarHBondContact CB-OE2 3.29Å; T214-E285 HydrophobicContact CG2-CB 4.19Å
215L89.3Confident86Confident69 Ų6955 Ų5536%0.36130%0.298SS..EExtended strand (participates in β ladder)trans-64.5-46.4167.7-58.1180000110.4D128 T131 I132 E285D128-L215 HydrophobicContact CB-CD1 3.99Å; D128-L215 HydrophobicContact CB-CD2 4.07Å; D128-L215 HydrophobicContact CB-CG 4.19Å; T131-L215 HydrophobicContact CG2-CD1 4.33Å; I132-L215 HydrophobicContact CD1-CD1 3.65Å; I132-L215 HydrophobicContact CG1-CD1 3.78Å; L215-E285 PolarHBondContact N-OE2 3.29Å
216H85.6Confident86.4Confident50 Ų5049.6 Ų49.623%0.23127%0.27CS..EExtended strand (participates in β ladder)trans-97.4122.8177.5-55.691.5000110.2T214 H276 L281 A282 E285T214-H216 WeakPolarHBondContact CB-O 3.39Å; T214-H216 PolarHBondContact OG1-O 2.86Å; H216-H276 PolarHBondContact O-NE2 2.71Å; H216-L281 WeakPolarHBondContact NE2-CD2 3.47Å; H216-A282 HydrophobicContact CB-CB 3.92Å; H216-E285 WeakPolarHBondContact CB-OE1 3.46Å; H216-E285 IonicContact CE1-OE1 3.26Å; H216-E285 IonicContact CG-OE1 2.79Å; H216-E285 PolarHBondContact N-OE1 2.83Å; H216-E285 VanDerWaalsContact N-OE1 3.1Å; H216-E285 IonicContact ND1-OE1 3.71Å; H216-E285 PolarHBondContact ND1-OE1 3.21Å
217S76.5Confident86.5Confident72 Ų7248.7 Ų48.750%0.50326%0.26SS..EExtended strand (participates in β ladder)trans-77.5123.1172.3-61.80000110.5E221S217-E221 VanDerWaalsContact CA-O 3.31Å; S217-E221 WeakPolarHBondContact CA-O 3.43Å
218V68.2Low86.5Confident6 Ų648.3 Ų48.34%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-103.9130.5169.8177.90000107.3Y203 N220 E221 V225 H276 M279Y203-V218 WeakPolarHBondContact CE1-O 3.49Å; Y203-V218 PolarHBondContact OH-O 2.92Å; Y203-V218 VanDerWaalsContact OH-O 3.08Å; V218-N220 PolarHBondContact O-N 3.36Å; V218-E221 PolarHBondContact N-O 3.39Å; V218-E221 PolarHBondContact O-N 2.84Å; V218-V225 HydrophobicContact CB-CB 4.38Å; V218-V225 HydrophobicContact CB-CG2 4.03Å; V218-V225 HydrophobicContact CG1-CB 4.23Å; V218-V225 HydrophobicContact CG1-CG1 4.37Å; V218-V225 HydrophobicContact CG1-CG2 4.18Å; V218-H276 WeakPolarHBondContact CB-CE1 3.48Å; V218-H276 VanDerWaalsContact CG2-CE1 3.47Å; V218-H276 WeakPolarHBondContact CG2-CE1 3.39Å; V218-M279 HydrophobicContact CG2-SD 3.88Å
219Y66.1Low86.3Confident32 Ų3247.8 Ų47.813%0.12526%0.258CS..THydrogen-bonded Turntrans56.926.5-175.8-49.4-43.6000116.6Y203 V225 E227 K278 A672 V729Y203-Y219 WeakPolarHBondContact OH-CB 3.37Å; Y203-Y219 PolarHBondContact OH-O 3.19Å; Y219-V225 HydrophobicContact CD2-CG1 3.91Å; Y219-V225 HydrophobicContact CE2-CG1 3.86Å; Y219-E227 VanDerWaalsContact CE2-OE1 3.26Å; Y219-E227 WeakPolarHBondContact CE2-OE1 3.23Å; Y219-E227 VanDerWaalsContact CZ-OE1 3.28Å; Y219-E227 PolarHBondContact OH-OE1 2.92Å; Y219-E227 PolarHBondContact OH-OE2 2.83Å; Y219-K278 PolarHBondContact OH-NZ 2.91Å; Y219-A672 HydrophobicContact CD1-CB 3.98Å; Y219-A672 HydrophobicContact CE1-CB 3.62Å; Y219-A672 PolarHBondContact OH-O 2.96Å; Y219-V729 HydrophobicContact CD1-CG1 4.46Å
220N66.1Low85.8Confident124 Ų12450.7 Ų50.766%0.66327%0.273SS*.THydrogen-bonded Turntrans88.6-3.4176.1-45.8-72.8000117.5V218V218-N220 PolarHBondContact O-N 3.36Å
221E75.2Confident85.5Confident80 Ų8046.4 Ų46.437%0.37426%0.257SS..EExtended strand (participates in β ladder)trans-114.1144171.1-57.1-173.9-153.800113Y203 S217 V218 K223Y203-E221 HydrophobicContact CD1-CB 4.34Å; Y203-E221 HydrophobicContact CE1-CB 3.58Å; Y203-E221 HydrophobicContact CE1-CG 4.17Å; Y203-E221 HydrophobicContact CE2-CG 4.41Å; Y203-E221 PolarHBondContact OH-N 3.37Å; S217-E221 VanDerWaalsContact CA-O 3.31Å; S217-E221 WeakPolarHBondContact CA-O 3.43Å; V218-E221 PolarHBondContact N-O 3.39Å; V218-E221 PolarHBondContact O-N 2.84Å; E221-K223 PolarHBondContact O-N 3.34Å; E221-K223 WeakPolarHBondContact OE2-CD 3.39Å; E221-K223 WeakPolarHBondContact OE2-CE 3.39Å; E221-K223 IonicContact OE2-NZ 3.9Å; E221-K223 PolarHBondContact OE2-NZ 3.31Å
222A87.9Confident85.1Confident41 Ų4144.1 Ų44.134%0.33924%0.241SC..EExtended strand (participates in β ladder)trans-81.861.617400000110.7K213 T214K213-A222 VanDerWaalsContact CA-O 3.31Å; K213-A222 WeakPolarHBondContact CA-O 3.32Å; T214-A222 PolarHBondContact N-O 3.36Å; T214-A222 VanDerWaalsContact N-O 3.16Å; T214-A222 WeakPolarHBondContact O-CB 3.48Å; T214-A222 VanDerWaalsContact OG1-CA 3.25Å; T214-A222 WeakPolarHBondContact OG1-CA 3.18Å
223K88.8Confident84.8Confident85 Ų8544.5 Ų44.537%0.3724%0.243SC..EExtended strand (participates in β ladder)trans-139.4153.6178.7-67.7176.7-175.7158.70109.6Y203 T214 E221 V225 H276Y203-K223 HydrophobicContact CD1-CB 4.11Å; T214-K223 PolarHBondContact OG1-N 2.87Å; T214-K223 VanDerWaalsContact OG1-N 3.12Å; E221-K223 PolarHBondContact O-N 3.34Å; E221-K223 WeakPolarHBondContact OE2-CD 3.39Å; E221-K223 WeakPolarHBondContact OE2-CE 3.39Å; E221-K223 IonicContact OE2-NZ 3.9Å; E221-K223 PolarHBondContact OE2-NZ 3.31Å; K223-V225 PolarHBondContact O-N 3.14Å; K223-H276 VanDerWaalsContact C-CE1 3.43Å; K223-H276 PolarHBondContact O-CE1 3.05Å
224V92.9Very high84.7Confident2 Ų237.1 Ų37.11%0.01221%0.214CC..  trans-58.6132.2173-178.70000110.3L204 W212 T214 R226 D286L204-V224 HydrophobicContact CB-CB 4.17Å; L204-V224 WeakPolarHBondContact CB-O 3.19Å; L204-V224 HydrophobicContact CD2-CB 4.12Å; L204-V224 HydrophobicContact CD2-CG1 4.24Å; L204-V224 PolarHBondContact N-O 3.22Å; W212-V224 HydrophobicContact CB-CG2 4.47Å; T214-V224 HydrophobicContact CG2-CG2 4.01Å; V224-R226 HydrophobicContact CG1-CG 4.46Å; V224-D286 HydrophobicContact CG1-CB 4.15Å
225V89.5Confident84.8Confident0 Ų037.2 Ų37.20%022%0.215CC..EExtended strand (participates in β ladder)trans-120.6139.6175.8179.80000109.3G202 Y203 V218 Y219 K223 E227 G275 H276G202-V225 WeakPolarHBondContact O-CA 3.41Å; Y203-V225 HydrophobicContact CD1-CG2 3.39Å; Y203-V225 HydrophobicContact CE1-CG2 3.41Å; Y203-V225 VanDerWaalsContact CE1-CG2 3.41Å; Y203-V225 HydrophobicContact CG-CG2 4.31Å; V218-V225 HydrophobicContact CB-CB 4.38Å; V218-V225 HydrophobicContact CB-CG2 4.03Å; V218-V225 HydrophobicContact CG1-CB 4.23Å; V218-V225 HydrophobicContact CG1-CG1 4.37Å; V218-V225 HydrophobicContact CG1-CG2 4.18Å; Y219-V225 HydrophobicContact CD2-CG1 3.91Å; Y219-V225 HydrophobicContact CE2-CG1 3.86Å; K223-V225 PolarHBondContact O-N 3.14Å; V225-E227 HydrophobicContact CG1-CG 4.38Å; V225-G275 VanDerWaalsContact O-CA 3.32Å; V225-G275 WeakPolarHBondContact O-CA 3.46Å; V225-H276 WeakPolarHBondContact CG2-CE1 3.47Å; V225-H276 PolarHBondContact N-ND1 3.43Å; V225-H276 PolarHBondContact O-N 3.21Å
226R94.3Very high85.2Confident1 Ų134.2 Ų34.20%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-139148.4172-60.6-169.4-167.3115.5-1.5110.9F197 N200 D201 G202 L204 V224 V273 D286F197-R226 PolarHBondContact O-NH1 3.18Å; N200-R226 CarbonylContact C-O 3.58Å; N200-R226 VanDerWaalsContact C-O 3.31Å; N200-R226 CarbonylContact O-C 3.56Å; D201-R226 PolarHBondContact N-O 3.22Å; G202-R226 WeakPolarHBondContact CA-O 3.49Å; G202-R226 PolarHBondContact N-O 2.98Å; G202-R226 PolarHBondContact O-N 3.26Å; G202-R226 VanDerWaalsContact O-O 3.13Å; L204-R226 VanDerWaalsContact CD1-NH1 3.29Å; V224-R226 HydrophobicContact CG1-CG 4.46Å; R226-V273 HydrophobicContact CB-CG1 4.48Å; R226-V273 HydrophobicContact CG-CG1 4.19Å; R226-D286 WeakPolarHBondContact CD-OD2 3.33Å; R226-D286 WeakPolarHBondContact CG-OD2 3.32Å; R226-D286 IonicContact CZ-OD1 3.84Å; R226-D286 IonicContact CZ-OD2 2.94Å; R226-D286 IonicContact NE-OD1 3.8Å; R226-D286 PolarHBondContact NE-OD1 2.9Å; R226-D286 IonicContact NE-OD2 2.65Å; R226-D286 PolarHBondContact NE-OD2 2.85Å; R226-D286 IonicContact NH2-OD1 2.69Å; R226-D286 PolarHBondContact NH2-OD1 3.36Å; R226-D286 IonicContact NH2-OD2 2.69Å
227E90.6Very high85.8Confident9 Ų932 Ų324%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-143.652.3-172.9-63.4171.1121.700109.9N200 Y219 V225 G229 L230 V273 G275 K278N200-E227 CarbonylContact O-C 3.44Å; N200-E227 VanDerWaalsContact O-CA 3.3Å; N200-E227 WeakPolarHBondContact O-CA 3.39Å; N200-E227 PolarHBondContact O-N 3.44Å; Y219-E227 VanDerWaalsContact CE2-OE1 3.26Å; Y219-E227 WeakPolarHBondContact CE2-OE1 3.23Å; Y219-E227 VanDerWaalsContact CZ-OE1 3.28Å; Y219-E227 PolarHBondContact OH-OE1 2.92Å; Y219-E227 PolarHBondContact OH-OE2 2.83Å; V225-E227 HydrophobicContact CG1-CG 4.38Å; E227-G229 PolarHBondContact O-N 2.81Å; E227-L230 HydrophobicContact CB-CB 4.25Å; E227-L230 HydrophobicContact CB-CD1 3.95Å; E227-L230 HydrophobicContact CB-CG 4.28Å; E227-L230 HydrophobicContact CG-CD1 4.45Å; E227-L230 WeakPolarHBondContact O-CB 3.47Å; E227-L230 PolarHBondContact O-N 3.43Å; E227-V273 CarbonylContact C-O 3.4Å; E227-V273 PolarHBondContact N-O 2.82Å; E227-G275 WeakPolarHBondContact OE2-CA 3.31Å; E227-G275 PolarHBondContact OE2-N 3.23Å; E227-K278 IonicContact OE1-NZ 3.46Å; E227-K278 IonicContact OE2-NZ 2.77Å; E227-K278 PolarHBondContact OE2-NZ 2.7Å
228A93.8Very high86.7Confident5 Ų532.9 Ų32.94%0.04118%0.181CC..THydrogen-bonded Turntrans-57.2116.8-169.200000112.5N200 L230 W272 V273N200-A228 HydrophobicContact CB-CB 3.61Å; N200-A228 WeakPolarHBondContact ND2-CB 3.46Å; N200-A228 PolarHBondContact O-N 3.42Å; A228-L230 VanDerWaalsContact C-N 3.25Å; A228-L230 PolarHBondContact O-N 3.44Å; A228-W272 CarbonylContact C-O 3.46Å; A228-W272 VanDerWaalsContact CA-O 3.24Å; A228-W272 WeakPolarHBondContact CA-O 3.45Å; A228-W272 HydrophobicContact CB-CE3 4.22Å; A228-W272 HydrophobicContact CB-CH2 3.71Å; A228-W272 HydrophobicContact CB-CZ2 4.43Å; A228-W272 HydrophobicContact CB-CZ3 3.58Å; A228-V273 PolarHBondContact N-O 3.06Å
229G89.6Confident87.9Confident29 Ų2933.9 Ų33.930%0.29919%0.189SC..THydrogen-bonded Turntrans75.34.3179.200000115.5E227 W272E227-G229 PolarHBondContact O-N 2.81Å; G229-W272 PolarHBondContact N-O 3.45Å
230L84.2Confident89.2Confident62 Ų6237.3 Ų37.333%0.32521%0.206SC..THydrogen-bonded Turntrans-78.8-22.8178.1-55.9-173.2000112.6E227 A228 G476 K477 Y674E227-L230 HydrophobicContact CB-CB 4.25Å; E227-L230 HydrophobicContact CB-CD1 3.95Å; E227-L230 HydrophobicContact CB-CG 4.28Å; E227-L230 HydrophobicContact CG-CD1 4.45Å; E227-L230 WeakPolarHBondContact O-CB 3.47Å; E227-L230 PolarHBondContact O-N 3.43Å; A228-L230 VanDerWaalsContact C-N 3.25Å; A228-L230 PolarHBondContact O-N 3.44Å; L230-G476 CarbonylContact O-C 3.59Å; L230-K477 WeakPolarHBondContact O-CA 3.42Å; L230-K477 PolarHBondContact O-N 2.83Å; L230-K477 VanDerWaalsContact O-N 3.07Å; L230-Y674 VanDerWaalsContact CD1-OH 3.27Å; L230-Y674 WeakPolarHBondContact CD1-OH 3.39Å
231S84.5Confident90.6Very high22 Ų2231.6 Ų31.615%0.15418%0.175CC..  trans-93.8125.1174.5-166.90000112.6Y233 G234 L271 G476S231-Y233 PolarHBondContact O-N 3.2Å; S231-Y233 PolarHBondContact OG-N 2.9Å; S231-G234 PolarHBondContact O-N 3.41Å; S231-L271 WeakPolarHBondContact CB-O 3.32Å; S231-G476 CarbonylContact C-O 3.59Å; S231-G476 WeakPolarHBondContact CA-O 3.32Å
232S84.3Confident91.6Very high52 Ų5228.3 Ų28.336%0.36416%0.16SC..THydrogen-bonded Turntrans-76.4-3.2171.668.20000113.2G476 K477S232-G476 VanDerWaalsContact N-C 3.33Å; S232-G476 PolarHBondContact N-O 3.29Å; S232-G476 PolarHBondContact OG-O 3.39Å; S232-K477 VanDerWaalsContact N-N 3.13Å; S232-K477 PolarHBondContact OG-N 3.35Å
233Y88.2Confident91.9Very high16 Ų1632.4 Ų32.46%0.06317%0.173CC..THydrogen-bonded Turntrans-84.6-23.2167.1-58.9-90.4000110.3N24 K28 S231 V475 G476N24-Y233 VanDerWaalsContact C-CE1 3.48Å; N24-Y233 HydrophobicContact CB-CE1 3.64Å; N24-Y233 WeakPolarHBondContact O-CD1 3.44Å; N24-Y233 WeakPolarHBondContact O-CE1 3.41Å; K28-Y233 HydrophobicContact CB-CD1 3.34Å; K28-Y233 HydrophobicContact CB-CE1 4.08Å; K28-Y233 HydrophobicContact CB-CG 4.04Å; K28-Y233 HydrophobicContact CG-CD1 3.9Å; K28-Y233 HydrophobicContact CG-CG 4.1Å; S231-Y233 PolarHBondContact O-N 3.2Å; S231-Y233 PolarHBondContact OG-N 2.9Å; Y233-V475 HydrophobicContact CD1-CG2 4.36Å; Y233-V475 HydrophobicContact CD2-CB 4.44Å; Y233-V475 HydrophobicContact CD2-CG2 3.87Å; Y233-V475 WeakPolarHBondContact CD2-O 3.45Å; Y233-V475 HydrophobicContact CE1-CG2 3.63Å; Y233-V475 HydrophobicContact CE2-CB 3.65Å; Y233-V475 HydrophobicContact CE2-CG1 3.5Å; Y233-V475 HydrophobicContact CE2-CG2 3.24Å; Y233-V475 HydrophobicContact CG-CG2 4.47Å; Y233-V475 WeakPolarHBondContact OH-CG1 3.22Å; Y233-V475 VanDerWaalsContact OH-CG2 3.27Å; Y233-V475 WeakPolarHBondContact OH-CG2 3.26Å; Y233-G476 WeakPolarHBondContact CD2-O 3.41Å; Y233-G476 WeakPolarHBondContact CE2-O 3.11Å
234G91Very high92.2Very high10 Ų1029.6 Ų29.610%0.10316%0.163CC..  trans-76.9147.7174.500000113.1S231 G268S231-G234 PolarHBondContact O-N 3.41Å; G234-G268 CarbonylContact C-O 3.56Å; G234-G268 WeakPolarHBondContact CA-O 2.95Å
235S95.1Very high92.3Very high15 Ų1529.5 Ų29.511%0.10516%0.162CC..  trans-156.2140.9160.463.30000109.1R20 G268 V269R20-S235 PolarHBondContact NH1-OG 3.25Å; R20-S235 PolarHBondContact NH2-OG 2.84Å; R20-S235 VanDerWaalsContact NH2-OG 3.16Å; S235-G268 PolarHBondContact N-O 2.91Å; S235-G268 CarbonylContact O-C 3.57Å; S235-V269 PolarHBondContact O-N 2.85Å
236L97.4Very high92.7Very high6 Ų630.4 Ų30.43%0.03117%0.166CC..PPolyproline II helixtrans-65.4163.1167.8-60.8-172.9000111.3R20 W175 D180 E181 P186 V269 W272R20-L236 PolarHBondContact NH2-O 2.87Å; W175-L236 HydrophobicContact CH2-CD2 3.93Å; W175-L236 HydrophobicContact CZ2-CD2 4.28Å; D180-L236 HydrophobicContact CB-CD1 3.73Å; E181-L236 HydrophobicContact CB-CB 3.84Å; E181-L236 HydrophobicContact CB-CD1 4.48Å; E181-L236 HydrophobicContact CG-CB 4.1Å; P186-L236 HydrophobicContact CB-CD1 3.79Å; L236-V269 HydrophobicContact CD2-CG1 3.95Å; L236-V269 HydrophobicContact CD2-CG2 4.48Å; L236-W272 HydrophobicContact CD1-CD2 4.37Å; L236-W272 HydrophobicContact CD1-CE3 4.39Å; L236-W272 HydrophobicContact CD1-CH2 4.21Å; L236-W272 HydrophobicContact CD1-CZ2 4.23Å; L236-W272 HydrophobicContact CD1-CZ3 4.29Å; L236-W272 HydrophobicContact CD2-CB 4.2Å; L236-W272 HydrophobicContact CD2-CD2 3.49Å; L236-W272 VanDerWaalsContact CD2-CD2 3.49Å; L236-W272 HydrophobicContact CD2-CE3 3.38Å; L236-W272 HydrophobicContact CD2-CG 3.86Å; L236-W272 HydrophobicContact CD2-CZ3 3.97Å; L236-W272 HydrophobicContact CG-CD2 3.76Å; L236-W272 HydrophobicContact CG-CE3 4.04Å; L236-W272 HydrophobicContact CG-CG 4.12Å; L236-W272 HydrophobicContact CG-CZ2 4.42Å; L236-W272 HydrophobicContact CG-CZ3 4.44Å
237L96.9Very high92.7Very high2 Ų233 Ų331%0.0119%0.185CC..PPolyproline II helixtrans-68.3143.9172.2-90.170.3000109.7T178 E181 V265 V269 F295 L299T178-L237 WeakPolarHBondContact CA-O 3.39Å; T178-L237 HydrophobicContact CG2-CB 3.7Å; T178-L237 WeakPolarHBondContact CG2-O 3.5Å; E181-L237 WeakPolarHBondContact CB-O 3.45Å; L237-V265 HydrophobicContact CD1-CB 4.09Å; L237-V265 HydrophobicContact CD1-CG2 4.26Å; L237-V265 WeakPolarHBondContact CD1-O 3.3Å; L237-V265 HydrophobicContact CD2-CG2 4.29Å; L237-V265 HydrophobicContact CG-CB 4.08Å; L237-V265 HydrophobicContact CG-CG2 4.09Å; L237-V269 HydrophobicContact CD1-CG2 3.27Å; L237-F295 HydrophobicContact CD2-CD1 4.5Å; L237-F295 HydrophobicContact CD2-CE1 3.99Å; L237-L299 HydrophobicContact CD2-CD1 3.52Å
238R95.8Very high92.9Very high91 Ų9133.4 Ų33.434%0.34319%0.187SC..PPolyproline II helixtrans-99.8164.5172.4-56.8-169.5168.7137.83.7112.1E181 E240 D241 V242E181-R238 HydrophobicContact CG-CG 4.07Å; E181-R238 WeakPolarHBondContact OE1-CG 3.24Å; E181-R238 IonicContact OE1-NE 3.75Å; E181-R238 PolarHBondContact OE1-NE 2.99Å; R238-E240 WeakPolarHBondContact CB-OE2 3.46Å; R238-E240 PolarHBondContact O-N 3.31Å; R238-D241 HydrophobicContact CB-CB 4.39Å; R238-D241 WeakPolarHBondContact CB-OD2 3.43Å; R238-D241 PolarHBondContact N-OD2 3.17Å; R238-D241 WeakPolarHBondContact O-CB 3.21Å; R238-D241 PolarHBondContact O-N 2.76Å; R238-V242 PolarHBondContact O-N 2.54Å
239S93.2Very high92.8Very high28 Ų2837.1 Ų37.120%0.19621%0.209CC..Hα-helixtrans-60.4-35.3170.1-58.10000111.6V242 Q243 R382S239-V242 PolarHBondContact O-N 3.46Å; S239-Q243 WeakPolarHBondContact O-CG 3.29Å; S239-Q243 PolarHBondContact O-N 2.82Å; S239-R382 PolarHBondContact OG-NH1 2.82Å
240E94.3Very high93Very high103 Ų10340.4 Ų40.448%0.48122%0.215SC..Hα-helixtrans-71.4-30.4176.7-6069.1-148.900112.5R238 Q243 T244R238-E240 WeakPolarHBondContact CB-OE2 3.46Å; R238-E240 PolarHBondContact O-N 3.31Å; E240-Q243 PolarHBondContact O-N 3.05Å; E240-T244 WeakPolarHBondContact O-CB 3.38Å; E240-T244 PolarHBondContact O-N 3.12Å; E240-T244 PolarHBondContact O-OG1 2.65Å
241D95.8Very high93.5Very high4 Ų437.5 Ų37.52%0.02120%0.2CC..Hα-helixtrans-66.8-43.6174.7-62.6-26.8000110R20 R238 T244 I245 F261 V265R20-D241 WeakPolarHBondContact CD-OD1 3.35Å; R20-D241 IonicContact CZ-OD1 2.69Å; R20-D241 IonicContact CZ-OD2 3.88Å; R20-D241 VanDerWaalsContact CZ-OD2 3.28Å; R20-D241 VanDerWaalsContact NE-CG 3.26Å; R20-D241 IonicContact NE-OD1 3.39Å; R20-D241 PolarHBondContact NE-OD1 2.83Å; R20-D241 IonicContact NE-OD2 2.98Å; R20-D241 PolarHBondContact NE-OD2 3.13Å; R20-D241 IonicContact NH2-OD2 3.54Å; R20-D241 PolarHBondContact NH2-OD2 3.31Å; R238-D241 HydrophobicContact CB-CB 4.39Å; R238-D241 WeakPolarHBondContact CB-OD2 3.43Å; R238-D241 PolarHBondContact N-OD2 3.17Å; R238-D241 WeakPolarHBondContact O-CB 3.21Å; R238-D241 PolarHBondContact O-N 2.76Å; D241-T244 WeakPolarHBondContact O-CB 3.43Å; D241-T244 PolarHBondContact O-N 3.11Å; D241-I245 WeakPolarHBondContact O-CG1 3.37Å; D241-I245 PolarHBondContact O-N 3.33Å; D241-F261 HydrophobicContact CB-CE1 4.27Å; D241-F261 HydrophobicContact CB-CZ 4.2Å; D241-V265 HydrophobicContact CB-CG1 3.99Å
242V95.3Very high93.9Very high11 Ų1139.1 Ų39.17%0.06721%0.205CC..Hα-helixtrans-62.7-44.4173.3175.20000111.1T178 R238 S239 T244 I245 M246 L299T178-V242 HydrophobicContact CG2-CG2 3.94Å; R238-V242 PolarHBondContact O-N 2.54Å; S239-V242 PolarHBondContact O-N 3.46Å; V242-T244 VanDerWaalsContact C-N 3.25Å; V242-T244 PolarHBondContact O-N 3.26Å; V242-I245 PolarHBondContact O-N 3.42Å; V242-M246 HydrophobicContact CG1-CE 4.4Å; V242-M246 HydrophobicContact CG1-CG 4.23Å; V242-M246 WeakPolarHBondContact O-CB 3.48Å; V242-M246 WeakPolarHBondContact O-CG 3.4Å; V242-M246 PolarHBondContact O-N 3.38Å; V242-L299 HydrophobicContact CB-CD2 4.46Å; V242-L299 HydrophobicContact CG1-CD2 3.8Å; V242-L299 HydrophobicContact CG2-CD1 4.11Å; V242-L299 HydrophobicContact CG2-CD2 3.89Å
243Q94.9Very high94.3Very high127 Ų12739.1 Ų39.159%0.59320%0.199SC*.Hα-helixtrans-58.9-37.9174.9-70.9172.723.600112.2S239 E240 M246 S247S239-Q243 WeakPolarHBondContact O-CG 3.29Å; S239-Q243 PolarHBondContact O-N 2.82Å; E240-Q243 PolarHBondContact O-N 3.05Å; Q243-M246 CarbonylContact O-C 3.53Å; Q243-M246 PolarHBondContact O-N 3.36Å; Q243-S247 WeakPolarHBondContact O-CB 3.27Å; Q243-S247 PolarHBondContact O-N 3.34Å
244T95Very high94.6Very high26 Ų2638.6 Ų38.616%0.1620%0.197CC..Hα-helixtrans-67.8-42177.6-60.70000112.3Q16 E240 D241 V242 M246 S247 F261Q16-T244 HydrophobicContact CB-CG2 4.43Å; Q16-T244 HydrophobicContact CG-CG2 4.44Å; E240-T244 WeakPolarHBondContact O-CB 3.38Å; E240-T244 PolarHBondContact O-N 3.12Å; E240-T244 PolarHBondContact O-OG1 2.65Å; D241-T244 WeakPolarHBondContact O-CB 3.43Å; D241-T244 PolarHBondContact O-N 3.11Å; V242-T244 VanDerWaalsContact C-N 3.25Å; V242-T244 PolarHBondContact O-N 3.26Å; T244-M246 VanDerWaalsContact C-N 3.35Å; T244-S247 PolarHBondContact O-N 3.05Å; T244-S247 PolarHBondContact O-OG 2.99Å; T244-F261 HydrophobicContact CG2-CD1 3.75Å; T244-F261 HydrophobicContact CG2-CD2 4.43Å; T244-F261 HydrophobicContact CG2-CE1 3.47Å; T244-F261 VanDerWaalsContact CG2-CE1 3.47Å; T244-F261 HydrophobicContact CG2-CE2 4.19Å; T244-F261 HydrophobicContact CG2-CG 4.23Å; T244-F261 HydrophobicContact CG2-CZ 3.72Å
245I95.7Very high94.7Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..Hα-helixtrans-61.3-46172.1-68.7157.9000109.9D241 V242 S247 K248 L254 F261 F262 V265 L299D241-I245 WeakPolarHBondContact O-CG1 3.37Å; D241-I245 PolarHBondContact O-N 3.33Å; V242-I245 PolarHBondContact O-N 3.42Å; I245-S247 PolarHBondContact O-N 3.49Å; I245-K248 PolarHBondContact O-N 3.42Å; I245-L254 HydrophobicContact CG2-CD2 3.98Å; I245-F261 HydrophobicContact CG1-CD1 4.42Å; I245-F261 HydrophobicContact CG1-CE1 4.41Å; I245-F262 HydrophobicContact CD1-CD2 3.44Å; I245-F262 VanDerWaalsContact CD1-CD2 3.44Å; I245-F262 HydrophobicContact CD1-CE2 3.57Å; I245-F262 HydrophobicContact CD1-CG 4.08Å; I245-F262 HydrophobicContact CD1-CZ 4.28Å; I245-F262 HydrophobicContact CG1-CB 4.45Å; I245-F262 HydrophobicContact CG1-CD2 3.96Å; I245-F262 HydrophobicContact CG1-CE2 4.36Å; I245-F262 HydrophobicContact CG1-CG 4.08Å; I245-F262 HydrophobicContact CG2-CD1 4.35Å; I245-F262 HydrophobicContact CG2-CE1 4.16Å; I245-F262 HydrophobicContact CG2-CZ 4.32Å; I245-V265 HydrophobicContact CD1-CG2 4.13Å; I245-L299 HydrophobicContact CD1-CD1 4.26Å
246M96Very high94.5Very high18 Ų1837.9 Ų37.99%0.08919%0.19CC..Hα-helixtrans-70.3-14.1178.1-63.3-63155.900113.9V242 Q243 T244 L299 Q302 F303 R307V242-M246 HydrophobicContact CG1-CE 4.4Å; V242-M246 HydrophobicContact CG1-CG 4.23Å; V242-M246 WeakPolarHBondContact O-CB 3.48Å; V242-M246 WeakPolarHBondContact O-CG 3.4Å; V242-M246 PolarHBondContact O-N 3.38Å; Q243-M246 CarbonylContact O-C 3.53Å; Q243-M246 PolarHBondContact O-N 3.36Å; T244-M246 VanDerWaalsContact C-N 3.35Å; M246-L299 HydrophobicContact CE-CD2 4.15Å; M246-L299 VanDerWaalsContact CE-O 3.23Å; M246-L299 WeakPolarHBondContact CE-O 3.5Å; M246-Q302 HydrophobicContact CE-CB 3.48Å; M246-Q302 VanDerWaalsContact CE-CB 3.48Å; M246-Q302 HydrophobicContact SD-CB 4.15Å; M246-F303 HydrophobicContact SD-CB 4.34Å; M246-R307 VanDerWaalsContact O-CZ 3.3Å; M246-R307 PolarHBondContact O-NE 2.88Å; M246-R307 PolarHBondContact O-NH2 2.89Å
247S95.4Very high94Very high57 Ų5738.9 Ų38.940%0.39920%0.198SC..Hα-helixtrans-82.5-20.4179.376.30000113.2Q243 T244 I245Q243-S247 WeakPolarHBondContact O-CB 3.27Å; Q243-S247 PolarHBondContact O-N 3.34Å; T244-S247 PolarHBondContact O-N 3.05Å; T244-S247 PolarHBondContact O-OG 2.99Å; I245-S247 PolarHBondContact O-N 3.49Å
248K94.6Very high93.5Very high17 Ų1741.9 Ų41.97%0.07422%0.216CC..  trans-61.6163.7175.1-55.2-46-164.3177.60111.3I245 E253 L254 D259 F303 R307I245-K248 PolarHBondContact O-N 3.42Å; K248-E253 HydrophobicContact CB-CB 4Å; K248-E253 HydrophobicContact CD-CB 3.9Å; K248-E253 WeakPolarHBondContact CE-O 3.46Å; K248-E253 HydrophobicContact CG-CB 3.96Å; K248-L254 HydrophobicContact CB-CD2 4.19Å; K248-L254 HydrophobicContact CB-CG 4.46Å; K248-L254 HydrophobicContact CG-CD2 3.66Å; K248-L254 HydrophobicContact CG-CG 4.32Å; K248-D259 IonicContact NZ-OD2 3.25Å; K248-D259 PolarHBondContact NZ-OD2 3.36Å; K248-F303 HydrophobicContact CB-CD2 4.43Å; K248-F303 HydrophobicContact CB-CE2 3.89Å; K248-R307 WeakPolarHBondContact O-CD 3.37Å; K248-R307 WeakPolarHBondContact O-CG 3.3Å; K248-R307 PolarHBondContact O-NE 3.17Å
249T92.6Very high93.3Very high82 Ų8238 Ų3850%0.50320%0.202SC..  trans-119.1-34-17762.60000113.5E253T249-E253 WeakPolarHBondContact CA-OE2 3.44Å; T249-E253 PolarHBondContact N-OE2 2.85Å; T249-E253 PolarHBondContact OG1-OE2 3.09Å
250K93.2Very high93.2Very high98 Ų9836.7 Ų36.743%0.42619%0.193SC..SBendtrans-120.2158.7178.9-64.4176.9171.3-178.60111.9E252 E253K250-E252 VanDerWaalsContact C-N 3.3Å; K250-E252 HydrophobicContact CB-CG 3.99Å; K250-E252 HydrophobicContact CD-CG 4.05Å; K250-E252 WeakPolarHBondContact CD-OE1 3.42Å; K250-E252 WeakPolarHBondContact CE-OE1 3.47Å; K250-E252 IonicContact NZ-OE1 2.74Å; K250-E252 PolarHBondContact NZ-OE1 2.85Å; K250-E252 PolarHBondContact O-N 3.38Å; K250-E253 HydrophobicContact CB-CG 4.46Å; K250-E253 PolarHBondContact N-OE2 2.93Å; K250-E253 PolarHBondContact O-N 2.95Å
251Y95.1Very high93.2Very high1 Ų132.1 Ų32.10%0.00417%0.171CC..G310 helixtrans-61.5-36.3175.9-179.1-120.2000113.1P146 L149 P150 E253 L254 T255 W300 D316 Y317 P318 L345P146-Y251 PolarHBondContact O-OH 2.83Å; L149-Y251 HydrophobicContact CB-CE2 4.34Å; L149-Y251 HydrophobicContact CD1-CE2 3.77Å; P150-Y251 WeakPolarHBondContact CD-OH 3.24Å; Y251-E253 PolarHBondContact O-N 2.96Å; Y251-L254 WeakPolarHBondContact O-CB 3.35Å; Y251-L254 PolarHBondContact O-N 2.95Å; Y251-T255 HydrophobicContact CD1-CG2 4.42Å; Y251-T255 HydrophobicContact CE1-CG2 3.95Å; Y251-T255 HydrophobicContact CE2-CG2 4.4Å; Y251-W300 AromaticContact CD2-CE2 3.91Å; Y251-W300 HydrophobicContact CD2-CZ2 4.06Å; Y251-W300 AromaticContact CD2-NE1 3.3Å; Y251-W300 VanDerWaalsContact CD2-NE1 3.3Å; Y251-W300 AromaticContact CE2-CE2 3.54Å; Y251-W300 AromaticContact CE2-CZ2 3.6Å; Y251-W300 HydrophobicContact CE2-CZ2 3.6Å; Y251-W300 AromaticContact CE2-NE1 3.32Å; Y251-W300 VanDerWaalsContact CE2-NE1 3.32Å; Y251-D316 WeakPolarHBondContact CB-O 3.26Å; Y251-D316 WeakPolarHBondContact CB-OD2 3.18Å; Y251-D316 WeakPolarHBondContact CD1-O 3.5Å; Y251-D316 PolarHBondContact N-OD2 2.88Å; Y251-Y317 HydrophobicContact CE1-CD2 4.16Å; Y251-Y317 HydrophobicContact CE1-CE2 4.29Å; Y251-P318 HydrophobicContact CD1-CG 4.2Å; Y251-P318 HydrophobicContact CE1-CG 4.44Å; Y251-L345 HydrophobicContact CD1-CD2 4.35Å; Y251-L345 HydrophobicContact CE1-CD2 4.28Å
252E93Very high93.2Very high56 Ų5632.1 Ų32.126%0.26217%0.171SC..G310 helixtrans-55.3-37.5-18067-177.9147.400113.5K250 L254 T255 V258 P318K250-E252 VanDerWaalsContact C-N 3.3Å; K250-E252 HydrophobicContact CB-CG 3.99Å; K250-E252 HydrophobicContact CD-CG 4.05Å; K250-E252 WeakPolarHBondContact CD-OE1 3.42Å; K250-E252 WeakPolarHBondContact CE-OE1 3.47Å; K250-E252 IonicContact NZ-OE1 2.74Å; K250-E252 PolarHBondContact NZ-OE1 2.85Å; K250-E252 PolarHBondContact O-N 3.38Å; E252-L254 PolarHBondContact O-N 2.85Å; E252-L254 VanDerWaalsContact O-N 3.09Å; E252-T255 PolarHBondContact O-N 2.86Å; E252-T255 PolarHBondContact O-OG1 3Å; E252-V258 HydrophobicContact CB-CG2 4.27Å; E252-V258 WeakPolarHBondContact O-CB 3.45Å; E252-P318 HydrophobicContact CB-CB 3.88Å; E252-P318 HydrophobicContact CB-CG 3.77Å
253E93Very high93.2Very high52 Ų5231.9 Ų31.924%0.24317%0.169CC..G310 helixtrans-69-2.3178.1-54.5-179.981.600114.3K248 T249 K250 Y251K248-E253 HydrophobicContact CB-CB 4Å; K248-E253 HydrophobicContact CD-CB 3.9Å; K248-E253 WeakPolarHBondContact CE-O 3.46Å; K248-E253 HydrophobicContact CG-CB 3.96Å; T249-E253 WeakPolarHBondContact CA-OE2 3.44Å; T249-E253 PolarHBondContact N-OE2 2.85Å; T249-E253 PolarHBondContact OG1-OE2 3.09Å; K250-E253 HydrophobicContact CB-CG 4.46Å; K250-E253 PolarHBondContact N-OE2 2.93Å; K250-E253 PolarHBondContact O-N 2.95Å; Y251-E253 PolarHBondContact O-N 2.96Å
254L94.4Very high93.2Very high5 Ų526.2 Ų26.23%0.02614%0.143CC..G310 helixtrans-106.22.9174.6-65.5179000112.8L149 I245 K248 Y251 E252 F262 F303L149-L254 HydrophobicContact CD1-CB 4.45Å; I245-L254 HydrophobicContact CG2-CD2 3.98Å; K248-L254 HydrophobicContact CB-CD2 4.19Å; K248-L254 HydrophobicContact CB-CG 4.46Å; K248-L254 HydrophobicContact CG-CD2 3.66Å; K248-L254 HydrophobicContact CG-CG 4.32Å; Y251-L254 WeakPolarHBondContact O-CB 3.35Å; Y251-L254 PolarHBondContact O-N 2.95Å; E252-L254 PolarHBondContact O-N 2.85Å; E252-L254 VanDerWaalsContact O-N 3.09Å; L254-F262 HydrophobicContact CB-CD1 4.16Å; L254-F262 HydrophobicContact CD2-CD1 3.99Å; L254-F262 HydrophobicContact CG-CD1 4.46Å; L254-F303 HydrophobicContact CD1-CB 4.36Å; L254-F303 HydrophobicContact CD1-CD1 3.54Å; L254-F303 HydrophobicContact CD1-CD2 3.9Å; L254-F303 HydrophobicContact CD1-CE1 3.76Å; L254-F303 HydrophobicContact CD1-CE2 4.08Å; L254-F303 HydrophobicContact CD1-CG 3.65Å; L254-F303 HydrophobicContact CD1-CZ 4.04Å
255T92.9Very high93.2Very high3 Ų325 Ų252%0.01814%0.135CC..SBendtrans-111.9142.1-172.173.70000113P146 Y251 E252 C257 V258 D259 P318P146-T255 HydrophobicContact CB-CG2 4.03Å; P146-T255 HydrophobicContact CG-CG2 4.13Å; Y251-T255 HydrophobicContact CD1-CG2 4.42Å; Y251-T255 HydrophobicContact CE1-CG2 3.95Å; Y251-T255 HydrophobicContact CE2-CG2 4.4Å; E252-T255 PolarHBondContact O-N 2.86Å; E252-T255 PolarHBondContact O-OG1 3Å; T255-C257 PolarHBondContact O-N 2.88Å; T255-V258 PolarHBondContact O-N 3.4Å; T255-D259 CarbonylContact C-O 3.17Å; T255-D259 CarbonylContact O-C 3.38Å; T255-D259 VanDerWaalsContact O-C 3.28Å; T255-D259 PolarHBondContact O-N 2.89Å; T255-P318 HydrophobicContact CG2-CG 4.17Å
256T89.7Confident93.3Very high7 Ų725.5 Ų25.54%0.04314%0.137CC..THydrogen-bonded Turntrans-49.3-25.8179.8-83.30000116.1Y29 K33 F144 E263Y29-T256 WeakPolarHBondContact OH-CG2 3.38Å; Y29-T256 PolarHBondContact OH-OG1 3.41Å; K33-T256 HydrophobicContact CD-CG2 4.39Å; F144-T256 HydrophobicContact CB-CG2 4.18Å; F144-T256 VanDerWaalsContact O-CG2 3.29Å; F144-T256 WeakPolarHBondContact O-CG2 3.44Å; T256-E263 WeakPolarHBondContact CB-OE1 3.42Å; T256-E263 PolarHBondContact N-OE1 2.89Å; T256-E263 PolarHBondContact OG1-OE1 2.03Å
257C86.4Confident93.2Very high28 Ų2825 Ų2519%0.18914%0.137CC..THydrogen-bonded Turntrans-80.2-16.2-178.2-62.90000114.2P146 T255 C324P146-C257 VanDerWaalsContact CD-SG 3.53Å; T255-C257 PolarHBondContact O-N 2.88Å; C257-C324 HydrophobicContact CB-CB 4.44Å; C257-C324 WeakPolarHBondContact CB-SG 3.5Å; C257-C324 WeakPolarHBondContact SG-CA 3.4Å; C257-C324 WeakPolarHBondContact SG-CB 3.41Å; C257-C324 CovalentContact SG-SG 2.04Å; C257-C324 PolarHBondContact SG-SG 3.11Å
258V87.5Confident93.2Very high64 Ų6422.5 Ų22.539%0.38812%0.12SC..THydrogen-bonded Turntrans-119.7-55179.7-179.20000110.2A13 E252 T255A13-V258 WeakPolarHBondContact CB-O 3.3Å; E252-V258 HydrophobicContact CB-CG2 4.27Å; E252-V258 WeakPolarHBondContact O-CB 3.45Å; T255-V258 PolarHBondContact O-N 3.4Å
259D90.6Very high93.4Very high9 Ų921.7 Ų21.75%0.04812%0.117CC..  trans-139.7107.8173.5-173.9-18.8000110.1T14 K248 T255 F261T14-D259 VanDerWaalsContact CB-CG 3.49Å; T14-D259 WeakPolarHBondContact CB-OD1 3.09Å; T14-D259 VanDerWaalsContact CB-OD2 3.28Å; T14-D259 WeakPolarHBondContact CB-OD2 2.99Å; T14-D259 WeakPolarHBondContact CG2-OD1 3Å; T14-D259 PolarHBondContact OG1-OD2 2.68Å; T14-D259 VanDerWaalsContact OG1-OD2 3.11Å; K248-D259 IonicContact NZ-OD2 3.25Å; K248-D259 PolarHBondContact NZ-OD2 3.36Å; T255-D259 CarbonylContact C-O 3.17Å; T255-D259 CarbonylContact O-C 3.38Å; T255-D259 VanDerWaalsContact O-C 3.28Å; T255-D259 PolarHBondContact O-N 2.89Å; D259-F261 PolarHBondContact O-N 2.85Å; D259-F261 WeakPolarHBondContact OD1-CB 3.25Å; D259-F261 PolarHBondContact OD1-N 2.96Å
260P91.6Very high93.6Very high2 Ų217.8 Ų17.81%0.0139%0.093CC..THydrogen-bonded Turntrans-74.54179.731-35.3000114.9T10 A13 Y29 F262 E263 L264T10-P260 HydrophobicContact CG2-CG 3.94Å; A13-P260 HydrophobicContact CB-CG 4.47Å; Y29-P260 HydrophobicContact CE1-CB 4.33Å; Y29-P260 WeakPolarHBondContact OH-CB 3.2Å; P260-F262 VanDerWaalsContact C-N 3.3Å; P260-F262 PolarHBondContact O-N 2.98Å; P260-E263 PolarHBondContact O-N 2.83Å; P260-L264 HydrophobicContact CB-CD1 4.03Å; P260-L264 HydrophobicContact CB-CG 4.33Å; P260-L264 HydrophobicContact CG-CD1 3.96Å; P260-L264 VanDerWaalsContact O-CB 3.29Å; P260-L264 WeakPolarHBondContact O-CB 3.33Å; P260-L264 WeakPolarHBondContact O-CG 3.48Å; P260-L264 PolarHBondContact O-N 3.23Å
261F94.7Very high93.7Very high6 Ų613.7 Ų13.73%0.0268%0.076CC..Hα-helixtrans-51.7-43.3-174.8-176.2-90.8000113.7Q16 R20 F21 D241 T244 I245 D259 L264 V265Q16-F261 HydrophobicContact CB-CD2 4.11Å; Q16-F261 HydrophobicContact CB-CE2 4.27Å; R20-F261 HydrophobicContact CB-CE2 3.9Å; R20-F261 HydrophobicContact CG-CE2 3.99Å; R20-F261 HydrophobicContact CG-CZ 4.38Å; F21-F261 HydrophobicContact CE2-CD2 4.42Å; F21-F261 HydrophobicContact CE2-CE2 4.42Å; D241-F261 HydrophobicContact CB-CE1 4.27Å; D241-F261 HydrophobicContact CB-CZ 4.2Å; T244-F261 HydrophobicContact CG2-CD1 3.75Å; T244-F261 HydrophobicContact CG2-CD2 4.43Å; T244-F261 HydrophobicContact CG2-CE1 3.47Å; T244-F261 VanDerWaalsContact CG2-CE1 3.47Å; T244-F261 HydrophobicContact CG2-CE2 4.19Å; T244-F261 HydrophobicContact CG2-CG 4.23Å; T244-F261 HydrophobicContact CG2-CZ 3.72Å; I245-F261 HydrophobicContact CG1-CD1 4.42Å; I245-F261 HydrophobicContact CG1-CE1 4.41Å; D259-F261 PolarHBondContact O-N 2.85Å; D259-F261 WeakPolarHBondContact OD1-CB 3.25Å; D259-F261 PolarHBondContact OD1-N 2.96Å; F261-L264 WeakPolarHBondContact O-CB 3.34Å; F261-L264 PolarHBondContact O-N 3.18Å; F261-V265 HydrophobicContact CD1-CG1 4.35Å; F261-V265 HydrophobicContact CE1-CG1 3.86Å; F261-V265 HydrophobicContact CE2-CG1 4.36Å; F261-V265 HydrophobicContact CZ-CG1 3.87Å; F261-V265 PolarHBondContact O-N 2.77Å
262F96Very high93.8Very high4 Ų414.6 Ų14.62%0.0188%0.079CC..Hα-helixtrans-69.3-47.3-177.4-163.8-177.3000111.9L149 I245 L254 P260 L264 V265 Y266 T296 L299 W300L149-F262 HydrophobicContact CD1-CD1 3.84Å; L149-F262 HydrophobicContact CD1-CE1 3.73Å; L149-F262 HydrophobicContact CD2-CD1 4.4Å; L149-F262 HydrophobicContact CD2-CE1 3.86Å; L149-F262 HydrophobicContact CD2-CZ 4.23Å; L149-F262 HydrophobicContact CG-CE1 4.45Å; I245-F262 HydrophobicContact CD1-CD2 3.44Å; I245-F262 VanDerWaalsContact CD1-CD2 3.44Å; I245-F262 HydrophobicContact CD1-CE2 3.57Å; I245-F262 HydrophobicContact CD1-CG 4.08Å; I245-F262 HydrophobicContact CD1-CZ 4.28Å; I245-F262 HydrophobicContact CG1-CB 4.45Å; I245-F262 HydrophobicContact CG1-CD2 3.96Å; I245-F262 HydrophobicContact CG1-CE2 4.36Å; I245-F262 HydrophobicContact CG1-CG 4.08Å; I245-F262 HydrophobicContact CG2-CD1 4.35Å; I245-F262 HydrophobicContact CG2-CE1 4.16Å; I245-F262 HydrophobicContact CG2-CZ 4.32Å; L254-F262 HydrophobicContact CB-CD1 4.16Å; L254-F262 HydrophobicContact CD2-CD1 3.99Å; L254-F262 HydrophobicContact CG-CD1 4.46Å; P260-F262 VanDerWaalsContact C-N 3.3Å; P260-F262 PolarHBondContact O-N 2.98Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 2.83Å; F262-V265 HydrophobicContact CD2-CG2 4.14Å; F262-V265 VanDerWaalsContact O-CG2 3.26Å; F262-V265 WeakPolarHBondContact O-CG2 3.43Å; F262-V265 PolarHBondContact O-N 2.72Å; F262-Y266 WeakPolarHBondContact O-CB 3.46Å; F262-Y266 PolarHBondContact O-N 2.86Å; F262-T296 HydrophobicContact CE2-CG2 3.91Å; F262-T296 HydrophobicContact CZ-CG2 3.93Å; F262-T296 WeakPolarHBondContact CZ-O 3.13Å; F262-L299 HydrophobicContact CE2-CB 4.35Å; F262-L299 HydrophobicContact CE2-CD1 4.37Å; F262-L299 HydrophobicContact CZ-CB 3.9Å; F262-W300 HydrophobicContact CE1-CB 4.21Å
263E94.8Very high94Very high7 Ų712 Ų123%0.0337%0.067CC..Hα-helixtrans-65.7-27.5173.7-78.4-172.6-99.800112.8F144 G145 F148 T256 P260 G267F144-E263 VanDerWaalsContact CA-OE2 3.22Å; F144-E263 WeakPolarHBondContact CA-OE2 3.29Å; F144-E263 PolarHBondContact N-OE2 3.25Å; G145-E263 PolarHBondContact N-OE1 3.09Å; F148-E263 HydrophobicContact CB-CG 4.36Å; F148-E263 HydrophobicContact CD1-CG 3.41Å; F148-E263 VanDerWaalsContact CD1-CG 3.41Å; F148-E263 HydrophobicContact CD2-CG 4.15Å; F148-E263 HydrophobicContact CE1-CG 3.71Å; F148-E263 HydrophobicContact CE2-CG 4.39Å; F148-E263 HydrophobicContact CG-CG 3.71Å; F148-E263 HydrophobicContact CZ-CG 4.21Å; T256-E263 WeakPolarHBondContact CB-OE1 3.42Å; T256-E263 PolarHBondContact N-OE1 2.89Å; T256-E263 PolarHBondContact OG1-OE1 2.03Å; P260-E263 PolarHBondContact O-N 2.83Å; E263-G267 PolarHBondContact O-N 3.14Å
264L94.7Very high93.9Very high7 Ų79.5 Ų9.54%0.0376%0.055CC..Hα-helixtrans-68.3-47.7173.1-84.5164.8000112.3T10 S17 F21 L26 Y29 P260 F261 F262 G267 G268T10-L264 HydrophobicContact CG2-CD1 4.14Å; S17-L264 VanDerWaalsContact OG-CD1 3.29Å; S17-L264 WeakPolarHBondContact OG-CD1 3.36Å; F21-L264 HydrophobicContact CD2-CB 4.31Å; F21-L264 HydrophobicContact CD2-CD1 4.35Å; F21-L264 HydrophobicContact CE2-CB 3.59Å; F21-L264 HydrophobicContact CE2-CD1 4.31Å; F21-L264 HydrophobicContact CE2-CG 4.42Å; F21-L264 HydrophobicContact CZ-CB 3.77Å; L26-L264 HydrophobicContact CD2-CD1 3.96Å; L26-L264 HydrophobicContact CD2-CD2 3.96Å; Y29-L264 HydrophobicContact CD1-CD2 3.94Å; Y29-L264 HydrophobicContact CD2-CD2 3.5Å; Y29-L264 VanDerWaalsContact CD2-CD2 3.5Å; Y29-L264 HydrophobicContact CD2-CG 3.96Å; Y29-L264 HydrophobicContact CE2-CD2 4.18Å; Y29-L264 HydrophobicContact CE2-CG 4.14Å; Y29-L264 HydrophobicContact CG-CD2 3.36Å; Y29-L264 HydrophobicContact CG-CG 4.17Å; P260-L264 HydrophobicContact CB-CD1 4.03Å; P260-L264 HydrophobicContact CB-CG 4.33Å; P260-L264 HydrophobicContact CG-CD1 3.96Å; P260-L264 VanDerWaalsContact O-CB 3.29Å; P260-L264 WeakPolarHBondContact O-CB 3.33Å; P260-L264 WeakPolarHBondContact O-CG 3.48Å; P260-L264 PolarHBondContact O-N 3.23Å; F261-L264 WeakPolarHBondContact O-CB 3.34Å; F261-L264 PolarHBondContact O-N 3.18Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 2.83Å; L264-G267 PolarHBondContact O-N 2.89Å; L264-G268 PolarHBondContact O-N 2.7Å
265V96.2Very high93.6Very high0 Ų09.3 Ų9.30%05%0.054CC..Hα-helixtrans-67.8-40176.9-61.10000111.1F21 L237 D241 I245 F261 F262 G268 V269F21-V265 HydrophobicContact CE2-CG1 4.11Å; F21-V265 HydrophobicContact CZ-CB 4.34Å; F21-V265 HydrophobicContact CZ-CG1 3.57Å; L237-V265 HydrophobicContact CD1-CB 4.09Å; L237-V265 HydrophobicContact CD1-CG2 4.26Å; L237-V265 WeakPolarHBondContact CD1-O 3.3Å; L237-V265 HydrophobicContact CD2-CG2 4.29Å; L237-V265 HydrophobicContact CG-CB 4.08Å; L237-V265 HydrophobicContact CG-CG2 4.09Å; D241-V265 HydrophobicContact CB-CG1 3.99Å; I245-V265 HydrophobicContact CD1-CG2 4.13Å; F261-V265 HydrophobicContact CD1-CG1 4.35Å; F261-V265 HydrophobicContact CE1-CG1 3.86Å; F261-V265 HydrophobicContact CE2-CG1 4.36Å; F261-V265 HydrophobicContact CZ-CG1 3.87Å; F261-V265 PolarHBondContact O-N 2.77Å; F262-V265 HydrophobicContact CD2-CG2 4.14Å; F262-V265 VanDerWaalsContact O-CG2 3.26Å; F262-V265 WeakPolarHBondContact O-CG2 3.43Å; F262-V265 PolarHBondContact O-N 2.72Å; V265-G268 PolarHBondContact O-N 2.94Å; V265-V269 PolarHBondContact O-N 2.68Å
266Y96.8Very high93.6Very high12 Ų129.1 Ų9.15%0.0475%0.053CC..Hα-helixtrans-55.2-52.6170.7161.1-94.6000111.3L143 F148 F262 G268 V269 T270 H292 H293 T296L143-Y266 HydrophobicContact CD2-CE1 4.46Å; F148-Y266 AromaticContact CE2-CD1 3.94Å; F148-Y266 HydrophobicContact CE2-CD1 3.94Å; F148-Y266 AromaticContact CE2-CE1 3.9Å; F148-Y266 HydrophobicContact CE2-CE1 3.9Å; F148-Y266 HydrophobicContact CE2-CG 4.43Å; F148-Y266 AromaticContact CZ-CD1 3.62Å; F148-Y266 HydrophobicContact CZ-CD1 3.62Å; F148-Y266 AromaticContact CZ-CD2 3.99Å; F148-Y266 HydrophobicContact CZ-CD2 3.99Å; F148-Y266 AromaticContact CZ-CE1 3.97Å; F148-Y266 HydrophobicContact CZ-CE1 3.97Å; F148-Y266 HydrophobicContact CZ-CE2 4.32Å; F148-Y266 AromaticContact CZ-CG 3.69Å; F148-Y266 HydrophobicContact CZ-CG 3.69Å; F262-Y266 WeakPolarHBondContact O-CB 3.46Å; F262-Y266 PolarHBondContact O-N 2.86Å; Y266-G268 PolarHBondContact O-N 3.29Å; Y266-V269 PolarHBondContact O-N 3.26Å; Y266-V269 VanDerWaalsContact O-N 3.14Å; Y266-T270 HydrophobicContact CE1-CG2 3.92Å; Y266-T270 HydrophobicContact CE2-CG2 4.07Å; Y266-T270 WeakPolarHBondContact O-CG2 3.44Å; Y266-T270 PolarHBondContact O-N 3.2Å; Y266-H292 AromaticContact CD2-CD2 3.64Å; Y266-H292 AromaticContact CD2-CE1 3.79Å; Y266-H292 AromaticContact CD2-NE2 3.03Å; Y266-H292 WeakPolarHBondContact CD2-NE2 3.46Å; Y266-H292 AromaticContact CE2-CD2 3.29Å; Y266-H292 WeakPolarHBondContact CE2-CD2 3.44Å; Y266-H292 AromaticContact CE2-NE2 3.2Å; Y266-H292 WeakPolarHBondContact CE2-NE2 2.94Å; Y266-H292 AromaticContact CG-NE2 3.89Å; Y266-H292 PolarHBondContact O-NE2 3Å; Y266-H292 VanDerWaalsContact O-NE2 3.08Å; Y266-H293 AromaticContact CE2-CE1 3.26Å; Y266-H293 WeakPolarHBondContact CE2-CE1 3.44Å; Y266-H293 AromaticContact CE2-ND1 3.77Å; Y266-H293 AromaticContact CE2-NE2 3.48Å; Y266-H293 WeakPolarHBondContact CE2-NE2 3.39Å; Y266-H293 AromaticContact CZ-CE1 3.38Å; Y266-H293 AromaticContact CZ-NE2 3.4Å; Y266-H293 PolarHBondContact OH-CE1 3.01Å; Y266-H293 PolarHBondContact OH-NE2 2.79Å; Y266-T296 HydrophobicContact CD2-CG2 4.3Å
267G94.6Very high93.9Very high8 Ų88.8 Ų8.88%0.0825%0.051CC..Hα-helixtrans-65.1-28.3-179.600000113.3R32 E263 L264 T270 L271R32-G267 PolarHBondContact NH1-O 2.98Å; E263-G267 PolarHBondContact O-N 3.14Å; L264-G267 PolarHBondContact O-N 2.89Å; G267-T270 PolarHBondContact O-N 2.75Å; G267-L271 WeakPolarHBondContact O-CB 3.47Å; G267-L271 WeakPolarHBondContact O-CD1 3.34Å; G267-L271 WeakPolarHBondContact O-CG 2.95Å; G267-L271 PolarHBondContact O-N 3.42Å
268G95.9Very high94.1Very high4 Ų49.9 Ų9.94%0.0415%0.053CC..Hα-helixtrans-60.6-41.3171.400000112.6G234 S235 L264 V265 Y266 W272G234-G268 CarbonylContact C-O 3.56Å; G234-G268 WeakPolarHBondContact CA-O 2.95Å; S235-G268 PolarHBondContact N-O 2.91Å; S235-G268 CarbonylContact O-C 3.57Å; L264-G268 PolarHBondContact O-N 2.7Å; V265-G268 PolarHBondContact O-N 2.94Å; Y266-G268 PolarHBondContact O-N 3.29Å; G268-W272 VanDerWaalsContact O-CB 3.3Å; G268-W272 WeakPolarHBondContact O-CB 3.27Å; G268-W272 PolarHBondContact O-N 3.28Å
269V97.9Very high94Very high0 Ų010.9 Ų10.90%05%0.054CC..Hα-helixtrans-67.9-42.9176.3-175.30000111W175 S235 L236 L237 V265 Y266 L271 W272 V273 H292W175-V269 HydrophobicContact CH2-CG1 3.98Å; W175-V269 HydrophobicContact CZ3-CG1 3.67Å; S235-V269 PolarHBondContact O-N 2.85Å; L236-V269 HydrophobicContact CD2-CG1 3.95Å; L236-V269 HydrophobicContact CD2-CG2 4.48Å; L237-V269 HydrophobicContact CD1-CG2 3.27Å; V265-V269 PolarHBondContact O-N 2.68Å; Y266-V269 PolarHBondContact O-N 3.26Å; Y266-V269 VanDerWaalsContact O-N 3.14Å; V269-L271 VanDerWaalsContact C-N 3.27Å; V269-L271 PolarHBondContact O-N 2.58Å; V269-W272 CarbonylContact O-C 3.56Å; V269-W272 WeakPolarHBondContact O-CA 3.35Å; V269-W272 WeakPolarHBondContact O-CB 3.34Å; V269-W272 PolarHBondContact O-N 3.05Å; V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 PolarHBondContact O-N 3.09Å; V269-H292 WeakPolarHBondContact CB-CE1 3.5Å; V269-H292 VanDerWaalsContact CG2-CE1 3.43Å; V269-H292 WeakPolarHBondContact CG2-CE1 3.42Å
270T97.3Very high93.7Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-65.6-34.1-178.7103.50000111.6R32 Y266 G267 G274 M277 K278R32-T270 PolarHBondContact NH1-OG1 2.91Å; R32-T270 VanDerWaalsContact NH1-OG1 3.14Å; R32-T270 PolarHBondContact NH2-OG1 3.35Å; Y266-T270 HydrophobicContact CE1-CG2 3.92Å; Y266-T270 HydrophobicContact CE2-CG2 4.07Å; Y266-T270 WeakPolarHBondContact O-CG2 3.44Å; Y266-T270 PolarHBondContact O-N 3.2Å; G267-T270 PolarHBondContact O-N 2.75Å; T270-G274 PolarHBondContact O-N 2.91Å; T270-M277 WeakPolarHBondContact CB-O 3.19Å; T270-M277 HydrophobicContact CG2-CE 4.33Å; T270-M277 CarbonylContact O-C 3.31Å; T270-M277 VanDerWaalsContact O-C 3.26Å; T270-M277 WeakPolarHBondContact O-CB 3.31Å; T270-M277 PolarHBondContact OG1-O 3.3Å; T270-K278 PolarHBondContact O-N 2.71Å
271L94.7Very high93.4Very high13 Ų1314.1 Ų14.17%0.0688%0.075CC..Hα-helixtrans-70.5-32.2169.8-74.9162.1000112.8K28 S231 G267 V269 K278K28-L271 HydrophobicContact CG-CD1 4.32Å; K28-L271 HydrophobicContact CG-CD2 4.24Å; S231-L271 WeakPolarHBondContact CB-O 3.32Å; G267-L271 WeakPolarHBondContact O-CB 3.47Å; G267-L271 WeakPolarHBondContact O-CD1 3.34Å; G267-L271 WeakPolarHBondContact O-CG 2.95Å; G267-L271 PolarHBondContact O-N 3.42Å; V269-L271 VanDerWaalsContact C-N 3.27Å; V269-L271 PolarHBondContact O-N 2.58Å; L271-K278 HydrophobicContact CD2-CB 4.12Å
272W96.8Very high93.1Very high20 Ų2013.9 Ų13.98%0.0767%0.073CC..Hα-helixtrans-72.4-43.7179-171.290.9000112.2P186 W192 A228 G229 L236 G268 V269 G274P186-W272 HydrophobicContact CB-CH2 4.1Å; P186-W272 HydrophobicContact CB-CZ2 3.69Å; W192-W272 AromaticContact CE2-CZ3 3.92Å; W192-W272 AromaticContact CZ2-CZ3 3.67Å; W192-W272 HydrophobicContact CZ2-CZ3 3.67Å; W192-W272 AromaticContact NE1-CH2 3.81Å; W192-W272 AromaticContact NE1-CZ3 3.84Å; A228-W272 CarbonylContact C-O 3.46Å; A228-W272 VanDerWaalsContact CA-O 3.24Å; A228-W272 WeakPolarHBondContact CA-O 3.45Å; A228-W272 HydrophobicContact CB-CE3 4.22Å; A228-W272 HydrophobicContact CB-CH2 3.71Å; A228-W272 HydrophobicContact CB-CZ2 4.43Å; A228-W272 HydrophobicContact CB-CZ3 3.58Å; G229-W272 PolarHBondContact N-O 3.45Å; L236-W272 HydrophobicContact CD1-CD2 4.37Å; L236-W272 HydrophobicContact CD1-CE3 4.39Å; L236-W272 HydrophobicContact CD1-CH2 4.21Å; L236-W272 HydrophobicContact CD1-CZ2 4.23Å; L236-W272 HydrophobicContact CD1-CZ3 4.29Å; L236-W272 HydrophobicContact CD2-CB 4.2Å; L236-W272 HydrophobicContact CD2-CD2 3.49Å; L236-W272 VanDerWaalsContact CD2-CD2 3.49Å; L236-W272 HydrophobicContact CD2-CE3 3.38Å; L236-W272 HydrophobicContact CD2-CG 3.86Å; L236-W272 HydrophobicContact CD2-CZ3 3.97Å; L236-W272 HydrophobicContact CG-CD2 3.76Å; L236-W272 HydrophobicContact CG-CE3 4.04Å; L236-W272 HydrophobicContact CG-CG 4.12Å; L236-W272 HydrophobicContact CG-CZ2 4.42Å; L236-W272 HydrophobicContact CG-CZ3 4.44Å; G268-W272 VanDerWaalsContact O-CB 3.3Å; G268-W272 WeakPolarHBondContact O-CB 3.27Å; G268-W272 PolarHBondContact O-N 3.28Å; V269-W272 CarbonylContact O-C 3.56Å; V269-W272 WeakPolarHBondContact O-CA 3.35Å; V269-W272 WeakPolarHBondContact O-CB 3.34Å; V269-W272 PolarHBondContact O-N 3.05Å; W272-G274 PolarHBondContact O-N 2.75Å
273V97.2Very high93Very high0 Ų013.8 Ų13.80%07%0.074CC..Hα-helixtrans-65.9-30.6174.3179.20000111W175 W192 R226 E227 A228 V269 M277 V288W175-V273 HydrophobicContact CH2-CG2 3.85Å; W175-V273 HydrophobicContact CZ3-CG2 3.76Å; W192-V273 HydrophobicContact CH2-CG1 3.98Å; W192-V273 HydrophobicContact CH2-CG2 4Å; W192-V273 HydrophobicContact CZ2-CG2 4.32Å; R226-V273 HydrophobicContact CB-CG1 4.48Å; R226-V273 HydrophobicContact CG-CG1 4.19Å; E227-V273 CarbonylContact C-O 3.4Å; E227-V273 PolarHBondContact N-O 2.82Å; A228-V273 PolarHBondContact N-O 3.06Å; V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 PolarHBondContact O-N 3.09Å; V273-M277 HydrophobicContact CB-CB 3.96Å; V273-M277 HydrophobicContact CB-CG 4.14Å; V273-M277 HydrophobicContact CG1-CB 4.02Å; V273-M277 HydrophobicContact CG1-CG 3.79Å; V273-V288 HydrophobicContact CG1-CG1 4.39Å; V273-V288 HydrophobicContact CG2-CG1 4.26Å
274G90.6Very high93.1Very high1 Ų113.5 Ų13.51%0.017%0.072CC..  trans69.8-155.2172.100000113.5T270 W272 H276 M277 K278T270-G274 PolarHBondContact O-N 2.91Å; W272-G274 PolarHBondContact O-N 2.75Å; G274-H276 PolarHBondContact O-N 2.91Å; G274-H276 VanDerWaalsContact O-N 3.16Å; G274-M277 WeakPolarHBondContact O-CB 3.23Å; G274-M277 PolarHBondContact O-N 2.71Å; G274-K278 PolarHBondContact O-N 2.99Å
275G88.5Confident93.2Very high0 Ų013.3 Ų13.30%07%0.071CC..THydrogen-bonded Turntrans52.8-116175.500000114.2V225 E227 K278V225-G275 VanDerWaalsContact O-CA 3.32Å; V225-G275 WeakPolarHBondContact O-CA 3.46Å; E227-G275 WeakPolarHBondContact OE2-CA 3.31Å; E227-G275 PolarHBondContact OE2-N 3.23Å; G275-K278 WeakPolarHBondContact O-CE 3.15Å; G275-K278 WeakPolarHBondContact O-CG 3.43Å
276H93.1Very high93.3Very high0 Ų013.3 Ų13.30%07%0.071CC..THydrogen-bonded Turntrans-71-41.9173.4-78.965.1000112.8T214 H216 V218 K223 V225 G274 K278 M279 A283 D286T214-H276 WeakPolarHBondContact CB-NE2 3.46Å; T214-H276 VanDerWaalsContact CG2-NE2 3.3Å; T214-H276 WeakPolarHBondContact CG2-NE2 3.47Å; T214-H276 PolarHBondContact OG1-NE2 3.22Å; H216-H276 PolarHBondContact O-NE2 2.71Å; V218-H276 WeakPolarHBondContact CB-CE1 3.48Å; V218-H276 VanDerWaalsContact CG2-CE1 3.47Å; V218-H276 WeakPolarHBondContact CG2-CE1 3.39Å; K223-H276 VanDerWaalsContact C-CE1 3.43Å; K223-H276 PolarHBondContact O-CE1 3.05Å; V225-H276 WeakPolarHBondContact CG2-CE1 3.47Å; V225-H276 PolarHBondContact N-ND1 3.43Å; V225-H276 PolarHBondContact O-N 3.21Å; G274-H276 PolarHBondContact O-N 2.91Å; G274-H276 VanDerWaalsContact O-N 3.16Å; H276-K278 PolarHBondContact O-N 2.68Å; H276-K278 VanDerWaalsContact O-N 3.11Å; H276-M279 PolarHBondContact O-N 3.4Å; H276-A283 PolarHBondContact O-N 3.32Å; H276-D286 HydrophobicContact CB-CB 4.29Å
277M95.4Very high93.3Very high0 Ų012.8 Ų12.80%07%0.069CC..THydrogen-bonded Turntrans-60.2-24.7-174.7-78.1-69-77.500114.6T270 V273 G274 M279 A283 D286 V288 F289 H292T270-M277 WeakPolarHBondContact CB-O 3.19Å; T270-M277 HydrophobicContact CG2-CE 4.33Å; T270-M277 CarbonylContact O-C 3.31Å; T270-M277 VanDerWaalsContact O-C 3.26Å; T270-M277 WeakPolarHBondContact O-CB 3.31Å; T270-M277 PolarHBondContact OG1-O 3.3Å; V273-M277 HydrophobicContact CB-CB 3.96Å; V273-M277 HydrophobicContact CB-CG 4.14Å; V273-M277 HydrophobicContact CG1-CB 4.02Å; V273-M277 HydrophobicContact CG1-CG 3.79Å; G274-M277 WeakPolarHBondContact O-CB 3.23Å; G274-M277 PolarHBondContact O-N 2.71Å; M277-M279 VanDerWaalsContact C-N 3.32Å; M277-A283 HydrophobicContact SD-CB 4.14Å; M277-D286 HydrophobicContact CG-CB 4.16Å; M277-D286 HydrophobicContact SD-CB 4.45Å; M277-V288 HydrophobicContact CE-CG1 4.24Å; M277-F289 HydrophobicContact CE-CB 4.46Å; M277-F289 HydrophobicContact SD-CB 3.78Å; M277-F289 HydrophobicContact SD-CD2 4.4Å; M277-H292 HydrophobicContact CE-CB 4.41Å
278K90.3Very high93.5Very high50 Ų5012.4 Ų12.422%0.2177%0.065CC..THydrogen-bonded Turntrans-75.8-17.717669.6-167.5176.2-171.60113.8Y219 E227 T270 L271 G274 G275 H276Y219-K278 PolarHBondContact OH-NZ 2.91Å; E227-K278 IonicContact OE1-NZ 3.46Å; E227-K278 IonicContact OE2-NZ 2.77Å; E227-K278 PolarHBondContact OE2-NZ 2.7Å; T270-K278 PolarHBondContact O-N 2.71Å; L271-K278 HydrophobicContact CD2-CB 4.12Å; G274-K278 PolarHBondContact O-N 2.99Å; G275-K278 WeakPolarHBondContact O-CE 3.15Å; G275-K278 WeakPolarHBondContact O-CG 3.43Å; H276-K278 PolarHBondContact O-N 2.68Å; H276-K278 VanDerWaalsContact O-N 3.11Å
279M86.4Confident93.6Very high85 Ų8512.2 Ų12.242%0.4196%0.064SC..SBendtrans-100.4116-177-66.6178.760.900110.6V218 H276 M277 L281 A282 A283V218-M279 HydrophobicContact CG2-SD 3.88Å; H276-M279 PolarHBondContact O-N 3.4Å; M277-M279 VanDerWaalsContact C-N 3.32Å; M279-L281 VanDerWaalsContact C-N 3.27Å; M279-L281 PolarHBondContact O-N 3.4Å; M279-L281 VanDerWaalsContact O-N 3.16Å; M279-A282 HydrophobicContact CB-CB 4.14Å; M279-A282 PolarHBondContact O-N 3.07Å; M279-A282 VanDerWaalsContact O-N 3.07Å; M279-A283 WeakPolarHBondContact O-CB 3.43Å; M279-A283 PolarHBondContact O-N 3.08Å
280A85.1Confident93.6Very high25 Ų2512.3 Ų12.321%0.2076%0.064CC..THydrogen-bonded Turntrans-56.2-38.4-173.100000113.9W36 L143W36-A280 HydrophobicContact CE3-CB 4.12Å; W36-A280 HydrophobicContact CZ3-CB 4.14Å; L143-A280 HydrophobicContact CD1-CB 3.98Å
281L83.7Confident93.7Very high55 Ų5512.3 Ų12.329%0.2886%0.064SC..THydrogen-bonded Turntrans-73.2-29.3179.4-178.861.5000114.2S135 H216 M279S135-L281 VanDerWaalsContact CB-CD1 3.4Å; H216-L281 WeakPolarHBondContact NE2-CD2 3.47Å; M279-L281 VanDerWaalsContact C-N 3.27Å; M279-L281 PolarHBondContact O-N 3.4Å; M279-L281 VanDerWaalsContact O-N 3.16Å
282A89Confident93.9Very high0 Ų011.7 Ų11.70%06%0.061CC..THydrogen-bonded Turntrans-109.1-9.4-172.600000113.3H216 M279 P284 E285H216-A282 HydrophobicContact CB-CB 3.92Å; M279-A282 HydrophobicContact CB-CB 4.14Å; M279-A282 PolarHBondContact O-N 3.07Å; M279-A282 VanDerWaalsContact O-N 3.07Å; A282-P284 VanDerWaalsContact C-CD 3.48Å; A282-E285 VanDerWaalsContact O-CB 3.24Å; A282-E285 WeakPolarHBondContact O-CB 3.16Å; A282-E285 WeakPolarHBondContact O-CG 3.38Å; A282-E285 PolarHBondContact O-N 2.94Å; A282-E285 VanDerWaalsContact O-N 3.08Å
283A94.8Very high93.9Very high3 Ų310.8 Ų10.83%0.0256%0.057CC..G310 helixtrans-56.5-41.8179.700000113.8H276 M277 M279 E285 D286 F289H276-A283 PolarHBondContact O-N 3.32Å; M277-A283 HydrophobicContact SD-CB 4.14Å; M279-A283 WeakPolarHBondContact O-CB 3.43Å; M279-A283 PolarHBondContact O-N 3.08Å; A283-E285 PolarHBondContact O-N 3.06Å; A283-D286 PolarHBondContact O-N 3.09Å; A283-D286 VanDerWaalsContact O-N 3.11Å; A283-F289 HydrophobicContact CB-CD2 3.85Å; A283-F289 HydrophobicContact CB-CE2 4.34Å; A283-F289 WeakPolarHBondContact O-CB 3.44Å
284P96.4Very high94Very high0 Ų010.8 Ų10.80%06%0.057CC..G310 helixtrans-64.6-8.8177.4-1830.8000114.7Y127 T131 H134 A282 D286 F289 Y290Y127-P284 WeakPolarHBondContact CE1-O 2.96Å; Y127-P284 PolarHBondContact OH-O 2.96Å; T131-P284 HydrophobicContact CG2-CB 4.2Å; H134-P284 HydrophobicContact CB-CG 3.73Å; A282-P284 VanDerWaalsContact C-CD 3.48Å; P284-D286 VanDerWaalsContact C-N 3.31Å; P284-F289 HydrophobicContact CB-CD1 4.09Å; P284-F289 HydrophobicContact CB-CD2 4.47Å; P284-F289 HydrophobicContact CB-CE1 4.22Å; P284-F289 HydrophobicContact CB-CG 4.25Å; P284-F289 HydrophobicContact CB-CZ 4.44Å; P284-F289 HydrophobicContact CG-CD1 4.42Å; P284-F289 HydrophobicContact CG-CD2 4.16Å; P284-F289 HydrophobicContact CG-CE1 4.23Å; P284-F289 HydrophobicContact CG-CE2 3.9Å; P284-F289 HydrophobicContact CG-CG 4.42Å; P284-F289 HydrophobicContact CG-CZ 3.95Å; P284-Y290 VanDerWaalsContact O-CE2 3.32Å; P284-Y290 WeakPolarHBondContact O-CE2 3.03Å; P284-Y290 PolarHBondContact O-OH 3.19Å
285E96.2Very high94.4Very high3 Ų310.8 Ų10.81%0.0146%0.057CC..G310 helixtrans-77.1-19.5174.9-56.9-164.6-121.200113.5T131 T214 L215 H216 A282 A283T131-E285 HydrophobicContact CG2-CG 3.39Å; T214-E285 VanDerWaalsContact C-OE2 3.26Å; T214-E285 WeakPolarHBondContact CA-OE2 3.43Å; T214-E285 WeakPolarHBondContact CB-OE2 3.29Å; T214-E285 HydrophobicContact CG2-CB 4.19Å; L215-E285 PolarHBondContact N-OE2 3.29Å; H216-E285 WeakPolarHBondContact CB-OE1 3.46Å; H216-E285 IonicContact CE1-OE1 3.26Å; H216-E285 IonicContact CG-OE1 2.79Å; H216-E285 PolarHBondContact N-OE1 2.83Å; H216-E285 VanDerWaalsContact N-OE1 3.1Å; H216-E285 IonicContact ND1-OE1 3.71Å; H216-E285 PolarHBondContact ND1-OE1 3.21Å; A282-E285 VanDerWaalsContact O-CB 3.24Å; A282-E285 WeakPolarHBondContact O-CB 3.16Å; A282-E285 WeakPolarHBondContact O-CG 3.38Å; A282-E285 PolarHBondContact O-N 2.94Å; A282-E285 VanDerWaalsContact O-N 3.08Å; A283-E285 PolarHBondContact O-N 3.06Å
286D97.6Very high94.9Very high0 Ų011 Ų110%06%0.058CC..SBendtrans-93.9120.7170.1-173.6-13.3000109.3V224 R226 H276 M277 A283 P284 V288 F289V224-D286 HydrophobicContact CG1-CB 4.15Å; R226-D286 WeakPolarHBondContact CD-OD2 3.33Å; R226-D286 WeakPolarHBondContact CG-OD2 3.32Å; R226-D286 IonicContact CZ-OD1 3.84Å; R226-D286 IonicContact CZ-OD2 2.94Å; R226-D286 IonicContact NE-OD1 3.8Å; R226-D286 PolarHBondContact NE-OD1 2.9Å; R226-D286 IonicContact NE-OD2 2.65Å; R226-D286 PolarHBondContact NE-OD2 2.85Å; R226-D286 IonicContact NH2-OD1 2.69Å; R226-D286 PolarHBondContact NH2-OD1 3.36Å; R226-D286 IonicContact NH2-OD2 2.69Å; H276-D286 HydrophobicContact CB-CB 4.29Å; M277-D286 HydrophobicContact CG-CB 4.16Å; M277-D286 HydrophobicContact SD-CB 4.45Å; A283-D286 PolarHBondContact O-N 3.09Å; A283-D286 VanDerWaalsContact O-N 3.11Å; P284-D286 VanDerWaalsContact C-N 3.31Å; D286-V288 PolarHBondContact O-N 3.36Å; D286-V288 WeakPolarHBondContact OD1-CB 3.32Å; D286-V288 VanDerWaalsContact OD1-CG2 3.31Å; D286-V288 WeakPolarHBondContact OD1-CG2 3.43Å; D286-V288 PolarHBondContact OD1-N 2.98Å; D286-V288 VanDerWaalsContact OD1-N 3.09Å; D286-F289 WeakPolarHBondContact O-CB 3.39Å; D286-F289 PolarHBondContact O-N 3.41Å
287P97.7Very high95.1Very high1 Ų111.2 Ų11.21%0.0066%0.059CC..THydrogen-bonded Turntrans-50.6-25.9176-33.539.6000115.3F209 W212 F289 Y290 F291F209-P287 HydrophobicContact CD1-CG 3.88Å; F209-P287 HydrophobicContact CD2-CB 4.17Å; F209-P287 HydrophobicContact CD2-CG 3.82Å; F209-P287 HydrophobicContact CE1-CB 4.31Å; F209-P287 HydrophobicContact CE1-CG 3.9Å; F209-P287 HydrophobicContact CE2-CB 3.74Å; F209-P287 HydrophobicContact CE2-CG 3.84Å; F209-P287 HydrophobicContact CG-CG 3.83Å; F209-P287 HydrophobicContact CZ-CB 3.82Å; F209-P287 HydrophobicContact CZ-CG 3.88Å; W212-P287 HydrophobicContact CE3-CG 4.03Å; W212-P287 HydrophobicContact CH2-CG 3.82Å; W212-P287 HydrophobicContact CZ3-CG 3.38Å; P287-F289 PolarHBondContact O-N 2.97Å; P287-F289 VanDerWaalsContact O-N 3.12Å; P287-Y290 PolarHBondContact O-N 3.34Å; P287-Y290 VanDerWaalsContact O-N 3.13Å; P287-F291 HydrophobicContact CB-CE2 3.96Å; P287-F291 HydrophobicContact CB-CZ 4.33Å; P287-F291 VanDerWaalsContact O-CD2 3.28Å; P287-F291 WeakPolarHBondContact O-CD2 3.39Å; P287-F291 WeakPolarHBondContact O-CE2 3.36Å
288V98.2Very high95.2Very high0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-55.5-28174.6179.20000112.4W175 F197 V273 M277 D286 Y290 F291 H292W175-V288 HydrophobicContact CE3-CG1 3.86Å; W175-V288 HydrophobicContact CZ3-CG1 3.8Å; F197-V288 HydrophobicContact CB-CG2 4.29Å; F197-V288 HydrophobicContact CD1-CG2 4.08Å; F197-V288 HydrophobicContact CD2-CG2 3.55Å; F197-V288 HydrophobicContact CE1-CG2 4.27Å; F197-V288 HydrophobicContact CE2-CG1 4.16Å; F197-V288 HydrophobicContact CE2-CG2 3.75Å; F197-V288 HydrophobicContact CG-CG2 3.72Å; F197-V288 HydrophobicContact CZ-CG2 4.11Å; V273-V288 HydrophobicContact CG1-CG1 4.39Å; V273-V288 HydrophobicContact CG2-CG1 4.26Å; M277-V288 HydrophobicContact CE-CG1 4.24Å; D286-V288 PolarHBondContact O-N 3.36Å; D286-V288 WeakPolarHBondContact OD1-CB 3.32Å; D286-V288 VanDerWaalsContact OD1-CG2 3.31Å; D286-V288 WeakPolarHBondContact OD1-CG2 3.43Å; D286-V288 PolarHBondContact OD1-N 2.98Å; D286-V288 VanDerWaalsContact OD1-N 3.09Å; V288-Y290 PolarHBondContact O-N 3.08Å; V288-F291 PolarHBondContact O-N 3.34Å; V288-H292 VanDerWaalsContact O-CB 3.3Å; V288-H292 WeakPolarHBondContact O-CB 3.45Å; V288-H292 PolarHBondContact O-N 2.79Å
289F98.5Very high95.6Very high1 Ų19 Ų90%0.0045%0.05CC..Hα-helixtrans-52.5-52.4173.6177.6-90.4000112.6H134 F155 M277 A283 P284 D286 P287 H292 H293H134-F289 AromaticContact CD2-CZ 3.69Å; H134-F289 AromaticContact CE1-CZ 3.9Å; H134-F289 AromaticContact NE2-CZ 3.5Å; H134-F289 WeakPolarHBondContact NE2-CZ 3.34Å; F155-F289 HydrophobicContact CD1-CE1 4.25Å; F155-F289 AromaticContact CE1-CE1 3.82Å; F155-F289 HydrophobicContact CE1-CE1 3.82Å; M277-F289 HydrophobicContact CE-CB 4.46Å; M277-F289 HydrophobicContact SD-CB 3.78Å; M277-F289 HydrophobicContact SD-CD2 4.4Å; A283-F289 HydrophobicContact CB-CD2 3.85Å; A283-F289 HydrophobicContact CB-CE2 4.34Å; A283-F289 WeakPolarHBondContact O-CB 3.44Å; P284-F289 HydrophobicContact CB-CD1 4.09Å; P284-F289 HydrophobicContact CB-CD2 4.47Å; P284-F289 HydrophobicContact CB-CE1 4.22Å; P284-F289 HydrophobicContact CB-CG 4.25Å; P284-F289 HydrophobicContact CB-CZ 4.44Å; P284-F289 HydrophobicContact CG-CD1 4.42Å; P284-F289 HydrophobicContact CG-CD2 4.16Å; P284-F289 HydrophobicContact CG-CE1 4.23Å; P284-F289 HydrophobicContact CG-CE2 3.9Å; P284-F289 HydrophobicContact CG-CG 4.42Å; P284-F289 HydrophobicContact CG-CZ 3.95Å; D286-F289 WeakPolarHBondContact O-CB 3.39Å; D286-F289 PolarHBondContact O-N 3.41Å; P287-F289 PolarHBondContact O-N 2.97Å; P287-F289 VanDerWaalsContact O-N 3.12Å; F289-H292 PolarHBondContact O-N 3.2Å; F289-H293 AromaticContact CD1-CD2 3.83Å; F289-H293 AromaticContact CD2-CD2 3.78Å; F289-H293 AromaticContact CD2-NE2 3.95Å; F289-H293 AromaticContact CE1-CD2 3.43Å; F289-H293 VanDerWaalsContact CE1-CD2 3.43Å; F289-H293 WeakPolarHBondContact CE1-CD2 3.06Å; F289-H293 AromaticContact CE1-NE2 3.97Å; F289-H293 AromaticContact CE2-CD2 3.42Å; F289-H293 VanDerWaalsContact CE2-CD2 3.42Å; F289-H293 WeakPolarHBondContact CE2-CD2 3.48Å; F289-H293 AromaticContact CE2-NE2 3.24Å; F289-H293 WeakPolarHBondContact CE2-NE2 3.42Å; F289-H293 AromaticContact CG-CD2 3.97Å; F289-H293 AromaticContact CZ-CD2 3.22Å; F289-H293 WeakPolarHBondContact CZ-CD2 3.42Å; F289-H293 AromaticContact CZ-NE2 3.24Å; F289-H293 WeakPolarHBondContact CZ-NE2 3.44Å; F289-H293 WeakPolarHBondContact O-CB 3.11Å; F289-H293 PolarHBondContact O-CD2 2.99Å; F289-H293 PolarHBondContact O-N 3.39Å
290Y98.6Very high96.2Very high1 Ų15 Ų50%0.0043%0.03CC..Hα-helixtrans-69.9-37.7-174-59.3-85.9000111.4Y127 F155 L156 F159 P284 P287 V288 H293 A294Y127-Y290 HydrophobicContact CE2-CE2 4.16Å; Y127-Y290 AromaticContact CZ-CE2 3.83Å; Y127-Y290 WeakPolarHBondContact OH-CE2 3.2Å; F155-Y290 HydrophobicContact CD1-CE1 4.37Å; F155-Y290 HydrophobicContact CE1-CD1 4.42Å; F155-Y290 AromaticContact CE1-CE1 3.56Å; F155-Y290 HydrophobicContact CE1-CE1 3.56Å; F155-Y290 HydrophobicContact CZ-CE1 4.12Å; L156-Y290 HydrophobicContact CD2-CD1 4.37Å; F159-Y290 HydrophobicContact CB-CD1 4.23Å; F159-Y290 HydrophobicContact CB-CE1 4.21Å; F159-Y290 AromaticContact CD1-CD1 3.73Å; F159-Y290 HydrophobicContact CD1-CD1 3.73Å; F159-Y290 HydrophobicContact CD1-CE1 4.19Å; F159-Y290 HydrophobicContact CD1-CG 4.15Å; F159-Y290 AromaticContact CD2-CD1 3.54Å; F159-Y290 HydrophobicContact CD2-CD1 3.54Å; F159-Y290 AromaticContact CD2-CE1 3.09Å; F159-Y290 HydrophobicContact CD2-CE1 3.09Å; F159-Y290 HydrophobicContact CD2-CE2 4.3Å; F159-Y290 HydrophobicContact CD2-CG 4.3Å; F159-Y290 AromaticContact CD2-CZ 3.54Å; F159-Y290 AromaticContact CE1-CD1 3.87Å; F159-Y290 HydrophobicContact CE1-CD1 3.87Å; F159-Y290 HydrophobicContact CE1-CD2 4.28Å; F159-Y290 HydrophobicContact CE1-CE1 4.35Å; F159-Y290 AromaticContact CE1-CG 3.83Å; F159-Y290 HydrophobicContact CE1-CG 3.83Å; F159-Y290 AromaticContact CE2-CD1 3.69Å; F159-Y290 HydrophobicContact CE2-CD1 3.69Å; F159-Y290 AromaticContact CE2-CD2 3.96Å; F159-Y290 HydrophobicContact CE2-CD2 3.96Å; F159-Y290 AromaticContact CE2-CE1 3.3Å; F159-Y290 HydrophobicContact CE2-CE1 3.3Å; F159-Y290 AromaticContact CE2-CE2 3.62Å; F159-Y290 HydrophobicContact CE2-CE2 3.62Å; F159-Y290 AromaticContact CE2-CG 4Å; F159-Y290 HydrophobicContact CE2-CG 4Å; F159-Y290 AromaticContact CE2-CZ 3.26Å; F159-Y290 AromaticContact CG-CD1 3.56Å; F159-Y290 HydrophobicContact CG-CD1 3.56Å; F159-Y290 AromaticContact CG-CE1 3.59Å; F159-Y290 HydrophobicContact CG-CE1 3.59Å; F159-Y290 HydrophobicContact CG-CG 4.37Å; F159-Y290 AromaticContact CZ-CD1 3.83Å; F159-Y290 HydrophobicContact CZ-CD1 3.83Å; F159-Y290 AromaticContact CZ-CD2 3.75Å; F159-Y290 HydrophobicContact CZ-CD2 3.75Å; F159-Y290 AromaticContact CZ-CE1 3.93Å; F159-Y290 HydrophobicContact CZ-CE1 3.93Å; F159-Y290 AromaticContact CZ-CE2 3.86Å; F159-Y290 HydrophobicContact CZ-CE2 3.86Å; F159-Y290 AromaticContact CZ-CG 3.74Å; F159-Y290 HydrophobicContact CZ-CG 3.74Å; F159-Y290 AromaticContact CZ-CZ 3.95Å; P284-Y290 VanDerWaalsContact O-CE2 3.32Å; P284-Y290 WeakPolarHBondContact O-CE2 3.03Å; P284-Y290 PolarHBondContact O-OH 3.19Å; P287-Y290 PolarHBondContact O-N 3.34Å; P287-Y290 VanDerWaalsContact O-N 3.13Å; V288-Y290 PolarHBondContact O-N 3.08Å; Y290-H293 PolarHBondContact O-N 3.21Å; Y290-A294 VanDerWaalsContact O-CB 3.31Å; Y290-A294 WeakPolarHBondContact O-CB 3.32Å; Y290-A294 PolarHBondContact O-N 3.01Å
291F98.5Very high96.8Very high1 Ų14 Ų40%0.0042%0.021CC..Hα-helixtrans-69.1-37.3177.5-50.7-41.4000112.7I98 W106 L109 L113 L172 P173 Y174 W175 F197 P287 V288 F295I98-F291 HydrophobicContact CD1-CB 3.81Å; I98-F291 HydrophobicContact CD1-CD1 4.13Å; I98-F291 HydrophobicContact CD1-CD2 3.78Å; I98-F291 HydrophobicContact CD1-CE2 4.38Å; I98-F291 HydrophobicContact CD1-CG 3.64Å; W106-F291 AromaticContact CH2-CE2 3.98Å; W106-F291 HydrophobicContact CH2-CE2 3.98Å; W106-F291 HydrophobicContact CH2-CZ 4.06Å; W106-F291 HydrophobicContact CZ3-CE2 4.25Å; W106-F291 HydrophobicContact CZ3-CZ 4.01Å; L109-F291 HydrophobicContact CD2-CE1 4.04Å; L109-F291 HydrophobicContact CD2-CZ 4.27Å; L113-F291 HydrophobicContact CD1-CZ 4.22Å; L172-F291 HydrophobicContact CD1-CD1 3.92Å; L172-F291 HydrophobicContact CD1-CE1 3.8Å; P173-F291 HydrophobicContact CG-CD1 3.95Å; P173-F291 HydrophobicContact CG-CE1 3.93Å; P173-F291 WeakPolarHBondContact O-CD1 3.45Å; Y174-F291 WeakPolarHBondContact CA-O 3.43Å; W175-F291 HydrophobicContact CB-CB 4.01Å; W175-F291 PolarHBondContact N-O 2.86Å; F197-F291 HydrophobicContact CD1-CD2 4.34Å; F197-F291 HydrophobicContact CD1-CE2 4.27Å; F197-F291 AromaticContact CE1-CD2 3.34Å; F197-F291 HydrophobicContact CE1-CD2 3.34Å; F197-F291 AromaticContact CE1-CE2 3.6Å; F197-F291 HydrophobicContact CE1-CE2 3.6Å; F197-F291 HydrophobicContact CE1-CG 4.4Å; F197-F291 AromaticContact CZ-CD2 3.68Å; F197-F291 HydrophobicContact CZ-CD2 3.68Å; F197-F291 HydrophobicContact CZ-CE2 4.38Å; F197-F291 HydrophobicContact CZ-CG 4.48Å; P287-F291 HydrophobicContact CB-CE2 3.96Å; P287-F291 HydrophobicContact CB-CZ 4.33Å; P287-F291 VanDerWaalsContact O-CD2 3.28Å; P287-F291 WeakPolarHBondContact O-CD2 3.39Å; P287-F291 WeakPolarHBondContact O-CE2 3.36Å; V288-F291 PolarHBondContact O-N 3.34Å; F291-F295 PolarHBondContact O-N 3.14Å
292H98.6Very high97.4Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-70.4-39.6174.2178.246.1000111.9W175 Y266 V269 M277 V288 F289 F295 T296W175-H292 HydrophobicContact CE3-CB 4.49Å; Y266-H292 AromaticContact CD2-CD2 3.64Å; Y266-H292 AromaticContact CD2-CE1 3.79Å; Y266-H292 AromaticContact CD2-NE2 3.03Å; Y266-H292 WeakPolarHBondContact CD2-NE2 3.46Å; Y266-H292 AromaticContact CE2-CD2 3.29Å; Y266-H292 WeakPolarHBondContact CE2-CD2 3.44Å; Y266-H292 AromaticContact CE2-NE2 3.2Å; Y266-H292 WeakPolarHBondContact CE2-NE2 2.94Å; Y266-H292 AromaticContact CG-NE2 3.89Å; Y266-H292 PolarHBondContact O-NE2 3Å; Y266-H292 VanDerWaalsContact O-NE2 3.08Å; V269-H292 WeakPolarHBondContact CB-CE1 3.5Å; V269-H292 VanDerWaalsContact CG2-CE1 3.43Å; V269-H292 WeakPolarHBondContact CG2-CE1 3.42Å; M277-H292 HydrophobicContact CE-CB 4.41Å; V288-H292 VanDerWaalsContact O-CB 3.3Å; V288-H292 WeakPolarHBondContact O-CB 3.45Å; V288-H292 PolarHBondContact O-N 2.79Å; F289-H292 PolarHBondContact O-N 3.2Å; H292-F295 PolarHBondContact O-N 3.27Å; H292-T296 PolarHBondContact O-N 3.16Å; H292-T296 PolarHBondContact O-OG1 3.11Å
293H98.6Very high97.8Very high1 Ų13.9 Ų3.91%0.0052%0.019CC..Hα-helixtrans-67.3-37.9172.4-87.6-67000113H152 L156 Y266 F289 Y290 F295 T296 D297H152-H293 AromaticContact CD2-CD2 3.94Å; H152-H293 AromaticContact CD2-CE1 3.15Å; H152-H293 PolarHBondContact CD2-CE1 2.56Å; H152-H293 AromaticContact CD2-CG 3.88Å; H152-H293 AromaticContact CD2-ND1 3.41Å; H152-H293 PolarHBondContact CD2-ND1 2.91Å; H152-H293 AromaticContact CD2-NE2 3.48Å; H152-H293 PolarHBondContact CD2-NE2 2.76Å; H152-H293 AromaticContact CE1-CE1 3.42Å; H152-H293 PolarHBondContact CE1-CE1 3.46Å; H152-H293 VanDerWaalsContact CE1-CE1 3.42Å; H152-H293 AromaticContact CG-CE1 3.39Å; H152-H293 AromaticContact CG-ND1 3.41Å; H152-H293 AromaticContact ND1-CE1 3.56Å; H152-H293 AromaticContact ND1-ND1 3.92Å; H152-H293 AromaticContact NE2-CE1 3.18Å; H152-H293 PolarHBondContact NE2-CE1 3.32Å; H152-H293 AromaticContact NE2-ND1 3.94Å; H152-H293 AromaticContact NE2-NE2 3.4Å; H152-H293 PolarHBondContact NE2-NE2 2.84Å; L156-H293 HydrophobicContact CD1-CB 4.08Å; L156-H293 HydrophobicContact CD2-CB 3.94Å; L156-H293 HydrophobicContact CG-CB 4.32Å; Y266-H293 AromaticContact CE2-CE1 3.26Å; Y266-H293 WeakPolarHBondContact CE2-CE1 3.44Å; Y266-H293 AromaticContact CE2-ND1 3.77Å; Y266-H293 AromaticContact CE2-NE2 3.48Å; Y266-H293 WeakPolarHBondContact CE2-NE2 3.39Å; Y266-H293 AromaticContact CZ-CE1 3.38Å; Y266-H293 AromaticContact CZ-NE2 3.4Å; Y266-H293 PolarHBondContact OH-CE1 3.01Å; Y266-H293 PolarHBondContact OH-NE2 2.79Å; F289-H293 AromaticContact CD1-CD2 3.83Å; F289-H293 AromaticContact CD2-CD2 3.78Å; F289-H293 AromaticContact CD2-NE2 3.95Å; F289-H293 AromaticContact CE1-CD2 3.43Å; F289-H293 VanDerWaalsContact CE1-CD2 3.43Å; F289-H293 WeakPolarHBondContact CE1-CD2 3.06Å; F289-H293 AromaticContact CE1-NE2 3.97Å; F289-H293 AromaticContact CE2-CD2 3.42Å; F289-H293 VanDerWaalsContact CE2-CD2 3.42Å; F289-H293 WeakPolarHBondContact CE2-CD2 3.48Å; F289-H293 AromaticContact CE2-NE2 3.24Å; F289-H293 WeakPolarHBondContact CE2-NE2 3.42Å; F289-H293 AromaticContact CG-CD2 3.97Å; F289-H293 AromaticContact CZ-CD2 3.22Å; F289-H293 WeakPolarHBondContact CZ-CD2 3.42Å; F289-H293 AromaticContact CZ-NE2 3.24Å; F289-H293 WeakPolarHBondContact CZ-NE2 3.44Å; F289-H293 WeakPolarHBondContact O-CB 3.11Å; F289-H293 PolarHBondContact O-CD2 2.99Å; F289-H293 PolarHBondContact O-N 3.39Å; Y290-H293 PolarHBondContact O-N 3.21Å; H293-F295 VanDerWaalsContact C-N 3.26Å; H293-F295 PolarHBondContact O-N 3.27Å; H293-T296 WeakPolarHBondContact O-CB 3.22Å; H293-T296 PolarHBondContact O-N 3.41Å; H293-T296 VanDerWaalsContact O-N 3.09Å; H293-D297 PolarHBondContact O-N 2.78Å
294A98.6Very high97.9Very high0 Ų03.8 Ų3.80%02%0.018CC..Hα-helixtrans-61.5-34.7173.500000111.8L172 Y290 L298 Y356L172-A294 HydrophobicContact CD2-CB 4.31Å; L172-A294 HydrophobicContact CG-CB 4.47Å; Y290-A294 VanDerWaalsContact O-CB 3.31Å; Y290-A294 WeakPolarHBondContact O-CB 3.32Å; Y290-A294 PolarHBondContact O-N 3.01Å; A294-L298 WeakPolarHBondContact O-CB 3.34Å; A294-L298 PolarHBondContact O-N 2.93Å; A294-Y356 WeakPolarHBondContact O-CE1 3.27Å; A294-Y356 PolarHBondContact O-OH 2.92Å
295F98.5Very high97.9Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-71-37.4171.6-171.9-124.7000112.5Y174 W175 D176 T178 L237 F291 H292 H293 L298 L299Y174-F295 AromaticContact CD2-CD2 3.68Å; Y174-F295 HydrophobicContact CD2-CD2 3.68Å; Y174-F295 HydrophobicContact CD2-CE2 4.39Å; Y174-F295 HydrophobicContact CE2-CD2 4.24Å; Y174-F295 HydrophobicContact CG-CD2 4.42Å; W175-F295 VanDerWaalsContact O-CB 3.31Å; W175-F295 WeakPolarHBondContact O-CB 3.41Å; W175-F295 WeakPolarHBondContact O-CD1 3.36Å; W175-F295 WeakPolarHBondContact O-CG 3.11Å; D176-F295 HydrophobicContact CB-CD2 4.12Å; D176-F295 HydrophobicContact CB-CE2 3.72Å; D176-F295 HydrophobicContact CB-CZ 3.99Å; D176-F295 VanDerWaalsContact CG-CE2 3.44Å; D176-F295 WeakPolarHBondContact OD1-CZ 3.29Å; T178-F295 HydrophobicContact CG2-CE1 4.29Å; T178-F295 HydrophobicContact CG2-CZ 4.26Å; L237-F295 HydrophobicContact CD2-CD1 4.5Å; L237-F295 HydrophobicContact CD2-CE1 3.99Å; F291-F295 PolarHBondContact O-N 3.14Å; H292-F295 PolarHBondContact O-N 3.27Å; H293-F295 VanDerWaalsContact C-N 3.26Å; H293-F295 PolarHBondContact O-N 3.27Å; F295-L298 HydrophobicContact CD2-CD2 4.02Å; F295-L298 HydrophobicContact CE2-CD2 4.24Å; F295-L298 WeakPolarHBondContact O-CB 3.36Å; F295-L298 PolarHBondContact O-N 2.92Å; F295-L299 HydrophobicContact CD1-CD1 4.24Å; F295-L299 HydrophobicContact CE1-CD1 3.86Å; F295-L299 HydrophobicContact CE1-CG 4.38Å; F295-L299 HydrophobicContact CE2-CD2 4.32Å; F295-L299 HydrophobicContact CE2-CG 4.36Å; F295-L299 HydrophobicContact CZ-CD1 4.09Å; F295-L299 HydrophobicContact CZ-CD2 4.14Å; F295-L299 HydrophobicContact CZ-CG 4.2Å; F295-L299 WeakPolarHBondContact O-CG 3.32Å; F295-L299 PolarHBondContact O-N 3.13Å
296T98.4Very high97.9Very high4 Ų415.8 Ų15.83%0.0257%0.072CC..Hα-helixtrans-63.6-42.8175.9-55.80000111.5F148 L149 F262 Y266 H292 H293 L299 W300F148-T296 HydrophobicContact CE1-CG2 4.07Å; F148-T296 HydrophobicContact CZ-CG2 4.26Å; L149-T296 HydrophobicContact CD2-CG2 3.82Å; F262-T296 HydrophobicContact CE2-CG2 3.91Å; F262-T296 HydrophobicContact CZ-CG2 3.93Å; F262-T296 WeakPolarHBondContact CZ-O 3.13Å; Y266-T296 HydrophobicContact CD2-CG2 4.3Å; H292-T296 PolarHBondContact O-N 3.16Å; H292-T296 PolarHBondContact O-OG1 3.11Å; H293-T296 WeakPolarHBondContact O-CB 3.22Å; H293-T296 PolarHBondContact O-N 3.41Å; H293-T296 VanDerWaalsContact O-N 3.09Å; T296-L299 PolarHBondContact O-N 2.72Å; T296-W300 PolarHBondContact O-N 3.05Å; T296-W300 VanDerWaalsContact O-N 3.12Å
297D98.5Very high97.8Very high5 Ų520.6 Ų20.63%0.0279%0.09CC..Hα-helixtrans-68-37.5174.7-178.149.4000112.5R95 R153 L156 H293 L299 W300 E301 Y354 Y356R95-D297 IonicContact NH1-OD2 3.09Å; R153-D297 IonicContact CZ-OD1 3.13Å; R153-D297 IonicContact NE-OD1 3.43Å; R153-D297 PolarHBondContact NE-OD1 2.8Å; R153-D297 IonicContact NE-OD2 3.15Å; R153-D297 IonicContact NH2-OD1 2.68Å; R153-D297 PolarHBondContact NH2-OD1 3.09Å; R153-D297 IonicContact NH2-OD2 2.72Å; L156-D297 HydrophobicContact CD1-CB 4.08Å; H293-D297 PolarHBondContact O-N 2.78Å; D297-L299 PolarHBondContact O-N 2.82Å; D297-W300 PolarHBondContact O-N 3.22Å; D297-E301 WeakPolarHBondContact O-CB 3.5Å; D297-E301 PolarHBondContact O-N 3.04Å; D297-Y354 PolarHBondContact OD2-OH 2.93Å; D297-Y356 WeakPolarHBondContact CB-OH 3.36Å; D297-Y356 WeakPolarHBondContact OD2-CE2 3.44Å; D297-Y356 PolarHBondContact OD2-OH 3.01Å; D297-Y356 VanDerWaalsContact OD2-OH 3.05Å
298L98.2Very high97.7Very high5 Ų521.5 Ų21.53%0.0269%0.094CC..Hα-helixtrans-56.6-47.6171169.159.9000112Y174 A294 F295 W300 E301 Q302 Y356 R359Y174-L298 HydrophobicContact CD1-CD2 3.95Å; Y174-L298 HydrophobicContact CD2-CD2 3.84Å; Y174-L298 HydrophobicContact CE1-CD2 3.66Å; Y174-L298 HydrophobicContact CE2-CD2 3.55Å; Y174-L298 HydrophobicContact CG-CD2 4.02Å; Y174-L298 VanDerWaalsContact CZ-CD2 3.44Å; A294-L298 WeakPolarHBondContact O-CB 3.34Å; A294-L298 PolarHBondContact O-N 2.93Å; F295-L298 HydrophobicContact CD2-CD2 4.02Å; F295-L298 HydrophobicContact CE2-CD2 4.24Å; F295-L298 WeakPolarHBondContact O-CB 3.36Å; F295-L298 PolarHBondContact O-N 2.92Å; L298-W300 VanDerWaalsContact C-N 3.31Å; L298-W300 PolarHBondContact O-N 3.14Å; L298-E301 PolarHBondContact O-N 2.78Å; L298-Q302 HydrophobicContact CD1-CG 3.94Å; L298-Q302 WeakPolarHBondContact O-CB 3.42Å; L298-Q302 WeakPolarHBondContact O-CG 3.46Å; L298-Q302 PolarHBondContact O-N 3.13Å; L298-Y356 HydrophobicContact CB-CD1 3.91Å; L298-Y356 HydrophobicContact CB-CD2 4.26Å; L298-Y356 HydrophobicContact CB-CE1 3.84Å; L298-Y356 HydrophobicContact CB-CE2 4.18Å; L298-Y356 HydrophobicContact CB-CG 4.15Å; L298-Y356 HydrophobicContact CD1-CD1 4.02Å; L298-Y356 HydrophobicContact CD1-CD2 4.03Å; L298-Y356 HydrophobicContact CD1-CG 3.63Å; L298-Y356 HydrophobicContact CD2-CD1 4.42Å; L298-Y356 HydrophobicContact CG-CD1 4.35Å; L298-Y356 HydrophobicContact CG-CG 4.4Å; L298-R359 HydrophobicContact CD2-CG 3.88Å
299L98Very high97.6Very high0 Ų025.2 Ų25.20%012%0.117CC..Hα-helixtrans-64.6-36.5179.3-68.7179.1000111.8L237 V242 I245 M246 F262 F295 T296 D297 F303L237-L299 HydrophobicContact CD2-CD1 3.52Å; V242-L299 HydrophobicContact CB-CD2 4.46Å; V242-L299 HydrophobicContact CG1-CD2 3.8Å; V242-L299 HydrophobicContact CG2-CD1 4.11Å; V242-L299 HydrophobicContact CG2-CD2 3.89Å; I245-L299 HydrophobicContact CD1-CD1 4.26Å; M246-L299 HydrophobicContact CE-CD2 4.15Å; M246-L299 VanDerWaalsContact CE-O 3.23Å; M246-L299 WeakPolarHBondContact CE-O 3.5Å; F262-L299 HydrophobicContact CE2-CB 4.35Å; F262-L299 HydrophobicContact CE2-CD1 4.37Å; F262-L299 HydrophobicContact CZ-CB 3.9Å; F295-L299 HydrophobicContact CD1-CD1 4.24Å; F295-L299 HydrophobicContact CE1-CD1 3.86Å; F295-L299 HydrophobicContact CE1-CG 4.38Å; F295-L299 HydrophobicContact CE2-CD2 4.32Å; F295-L299 HydrophobicContact CE2-CG 4.36Å; F295-L299 HydrophobicContact CZ-CD1 4.09Å; F295-L299 HydrophobicContact CZ-CD2 4.14Å; F295-L299 HydrophobicContact CZ-CG 4.2Å; F295-L299 WeakPolarHBondContact O-CG 3.32Å; F295-L299 PolarHBondContact O-N 3.13Å; T296-L299 PolarHBondContact O-N 2.72Å; D297-L299 PolarHBondContact O-N 2.82Å; L299-F303 PolarHBondContact O-N 2.94Å; L299-F303 VanDerWaalsContact O-N 3.16Å
300W97.9Very high97.4Very high0 Ų033.1 Ų33.10%015%0.152CC..Hα-helixtrans-68.3-42.7173-177.838.4000112L149 P150 R153 Y251 F262 T296 D297 L298 Q302 F303 R304 L345L149-W300 HydrophobicContact CB-CD2 3.75Å; L149-W300 HydrophobicContact CB-CE3 3.63Å; L149-W300 HydrophobicContact CB-CG 4.32Å; L149-W300 HydrophobicContact CB-CH2 4.21Å; L149-W300 HydrophobicContact CB-CZ2 4.32Å; L149-W300 HydrophobicContact CB-CZ3 3.86Å; L149-W300 HydrophobicContact CD1-CB 4.27Å; L149-W300 HydrophobicContact CD1-CD2 4.11Å; L149-W300 HydrophobicContact CD1-CG 3.85Å; L149-W300 HydrophobicContact CD2-CB 4.22Å; L149-W300 HydrophobicContact CD2-CG 4.46Å; L149-W300 HydrophobicContact CG-CD2 4.35Å; L149-W300 HydrophobicContact CG-CG 4.41Å; P150-W300 HydrophobicContact CB-CH2 4.48Å; P150-W300 HydrophobicContact CG-CH2 3.83Å; P150-W300 HydrophobicContact CG-CZ2 4.43Å; R153-W300 HydrophobicContact CB-CZ3 4.16Å; R153-W300 VanDerWaalsContact NE-CZ3 3.26Å; Y251-W300 AromaticContact CD2-CE2 3.91Å; Y251-W300 HydrophobicContact CD2-CZ2 4.06Å; Y251-W300 AromaticContact CD2-NE1 3.3Å; Y251-W300 VanDerWaalsContact CD2-NE1 3.3Å; Y251-W300 AromaticContact CE2-CE2 3.54Å; Y251-W300 AromaticContact CE2-CZ2 3.6Å; Y251-W300 HydrophobicContact CE2-CZ2 3.6Å; Y251-W300 AromaticContact CE2-NE1 3.32Å; Y251-W300 VanDerWaalsContact CE2-NE1 3.32Å; F262-W300 HydrophobicContact CE1-CB 4.21Å; T296-W300 PolarHBondContact O-N 3.05Å; T296-W300 VanDerWaalsContact O-N 3.12Å; D297-W300 PolarHBondContact O-N 3.22Å; L298-W300 VanDerWaalsContact C-N 3.31Å; L298-W300 PolarHBondContact O-N 3.14Å; W300-Q302 PolarHBondContact O-N 3.29Å; W300-F303 WeakPolarHBondContact O-CA 3.49Å; W300-F303 WeakPolarHBondContact O-CB 3.38Å; W300-F303 PolarHBondContact O-N 3.23Å; W300-F303 VanDerWaalsContact O-N 3.13Å; W300-R304 HydrophobicContact CG-CG 4.49Å; W300-R304 WeakPolarHBondContact O-CG 3.5Å; W300-R304 PolarHBondContact O-N 3.5Å; W300-L345 HydrophobicContact CH2-CD2 3.91Å; W300-L345 HydrophobicContact CZ2-CD2 3.6Å
301E97.8Very high97.3Very high4 Ų440.1 Ų40.12%0.01919%0.185CC..Hα-helixtrans-64-41.9179-174.554.1-152.700112.4R153 D297 L298 F303 R304 Q305 R313 T350R153-E301 IonicContact CZ-OE2 2.86Å; R153-E301 IonicContact NH1-OE2 2.72Å; R153-E301 PolarHBondContact NH1-OE2 2.99Å; R153-E301 IonicContact NH2-OE2 3.34Å; R153-E301 PolarHBondContact NH2-OE2 3.11Å; D297-E301 WeakPolarHBondContact O-CB 3.5Å; D297-E301 PolarHBondContact O-N 3.04Å; L298-E301 PolarHBondContact O-N 2.78Å; E301-F303 VanDerWaalsContact C-N 3.29Å; E301-F303 PolarHBondContact O-N 3.36Å; E301-R304 PolarHBondContact O-N 3.08Å; E301-R304 IonicContact OE1-NH1 3.86Å; E301-R304 PolarHBondContact OE1-NH1 2.04Å; E301-R304 WeakPolarHBondContact OE2-CD 3.48Å; E301-R304 IonicContact OE2-CZ 3.92Å; E301-R304 IonicContact OE2-NE 2.71Å; E301-R304 IonicContact OE2-NH1 3.25Å; E301-R304 PolarHBondContact OE2-NH1 2.88Å; E301-Q305 HydrophobicContact CG-CG 4.48Å; E301-Q305 WeakPolarHBondContact O-CB 3.42Å; E301-Q305 VanDerWaalsContact O-CG 3.3Å; E301-Q305 WeakPolarHBondContact O-CG 3.26Å; E301-Q305 PolarHBondContact O-N 2.78Å; E301-Q305 WeakPolarHBondContact OE1-CG 3.34Å; E301-Q305 PolarHBondContact OE1-NE2 3.19Å; E301-R313 IonicContact OE1-NH1 2.91Å; E301-T350 HydrophobicContact CG-CG2 4.04Å
302Q97Very high97.2Very high53 Ų5343.9 Ų43.925%0.24820%0.202CC..Hα-helixtrans-61-37.3172.4-78.6-179.4-4.400112.1M246 L298 W300 K306M246-Q302 HydrophobicContact CE-CB 3.48Å; M246-Q302 VanDerWaalsContact CE-CB 3.48Å; M246-Q302 HydrophobicContact SD-CB 4.15Å; L298-Q302 HydrophobicContact CD1-CG 3.94Å; L298-Q302 WeakPolarHBondContact O-CB 3.42Å; L298-Q302 WeakPolarHBondContact O-CG 3.46Å; L298-Q302 PolarHBondContact O-N 3.13Å; W300-Q302 PolarHBondContact O-N 3.29Å; Q302-K306 WeakPolarHBondContact O-CB 3.48Å; Q302-K306 PolarHBondContact O-N 3.17Å; Q302-K306 VanDerWaalsContact O-N 3.13Å
303F97.7Very high97.1Very high0 Ų045.5 Ų45.50%021%0.208CC..Hα-helixtrans-62.5-51.3170.3161.5-87.1000111.2M246 K248 L254 L299 W300 E301 Q305 K306 R307 Q308M246-F303 HydrophobicContact SD-CB 4.34Å; K248-F303 HydrophobicContact CB-CD2 4.43Å; K248-F303 HydrophobicContact CB-CE2 3.89Å; L254-F303 HydrophobicContact CD1-CB 4.36Å; L254-F303 HydrophobicContact CD1-CD1 3.54Å; L254-F303 HydrophobicContact CD1-CD2 3.9Å; L254-F303 HydrophobicContact CD1-CE1 3.76Å; L254-F303 HydrophobicContact CD1-CE2 4.08Å; L254-F303 HydrophobicContact CD1-CG 3.65Å; L254-F303 HydrophobicContact CD1-CZ 4.04Å; L299-F303 PolarHBondContact O-N 2.94Å; L299-F303 VanDerWaalsContact O-N 3.16Å; W300-F303 WeakPolarHBondContact O-CA 3.49Å; W300-F303 WeakPolarHBondContact O-CB 3.38Å; W300-F303 PolarHBondContact O-N 3.23Å; W300-F303 VanDerWaalsContact O-N 3.13Å; E301-F303 VanDerWaalsContact C-N 3.29Å; E301-F303 PolarHBondContact O-N 3.36Å; F303-Q305 VanDerWaalsContact C-N 3.33Å; F303-Q305 PolarHBondContact O-N 3.2Å; F303-K306 PolarHBondContact O-N 2.91Å; F303-K306 VanDerWaalsContact O-N 3.08Å; F303-R307 HydrophobicContact CD2-CB 4.1Å; F303-R307 HydrophobicContact CD2-CG 3.68Å; F303-R307 HydrophobicContact CE2-CB 3.77Å; F303-R307 HydrophobicContact CE2-CG 3.66Å; F303-R307 HydrophobicContact CG-CG 4.47Å; F303-R307 HydrophobicContact CZ-CB 4.02Å; F303-R307 HydrophobicContact CZ-CG 4.42Å; F303-R307 WeakPolarHBondContact O-CB 3.41Å; F303-R307 PolarHBondContact O-N 3.16Å; F303-Q308 HydrophobicContact CE1-CG 4.38Å
304R97.1Very high97Very high1 Ų149.3 Ų49.30%0.00423%0.226CC..Hα-helixtrans-54.5-49.4-179.7-67173.476-105.4-0.3110.5W300 E301 K306 Q308 R313 L345 D347W300-R304 HydrophobicContact CG-CG 4.49Å; W300-R304 WeakPolarHBondContact O-CG 3.5Å; W300-R304 PolarHBondContact O-N 3.5Å; E301-R304 PolarHBondContact O-N 3.08Å; E301-R304 IonicContact OE1-NH1 3.86Å; E301-R304 PolarHBondContact OE1-NH1 2.04Å; E301-R304 WeakPolarHBondContact OE2-CD 3.48Å; E301-R304 IonicContact OE2-CZ 3.92Å; E301-R304 IonicContact OE2-NE 2.71Å; E301-R304 IonicContact OE2-NH1 3.25Å; E301-R304 PolarHBondContact OE2-NH1 2.88Å; R304-K306 VanDerWaalsContact C-N 3.32Å; R304-K306 PolarHBondContact O-N 3.1Å; R304-Q308 WeakPolarHBondContact O-CB 3.19Å; R304-Q308 PolarHBondContact O-N 3.17Å; R304-R313 HydrophobicContact CB-CG 4.15Å; R304-R313 PolarHBondContact NH2-O 3.13Å; R304-L345 PolarHBondContact NH2-O 3.37Å; R304-D347 IonicContact CZ-OD1 3.13Å; R304-D347 VanDerWaalsContact CZ-OD1 3.25Å; R304-D347 IonicContact NH1-OD1 3.2Å; R304-D347 PolarHBondContact NH1-OD1 3.05Å; R304-D347 IonicContact NH2-OD1 2.71Å; R304-D347 PolarHBondContact NH2-OD1 3.03Å
305Q95.3Very high96.8Very high118 Ų11853.7 Ų53.755%0.55125%0.253SS*.Hα-helixtrans-64.2-31179-69.6175.48.700114.1E301 F303E301-Q305 HydrophobicContact CG-CG 4.48Å; E301-Q305 WeakPolarHBondContact O-CB 3.42Å; E301-Q305 VanDerWaalsContact O-CG 3.3Å; E301-Q305 WeakPolarHBondContact O-CG 3.26Å; E301-Q305 PolarHBondContact O-N 2.78Å; E301-Q305 WeakPolarHBondContact OE1-CG 3.34Å; E301-Q305 PolarHBondContact OE1-NE2 3.19Å; F303-Q305 VanDerWaalsContact C-N 3.33Å; F303-Q305 PolarHBondContact O-N 3.2Å
306K95.7Very high96.6Very high137 Ų13755.1 Ų55.160%0.59626%0.26SS*.Hα-helixtrans-90.5-27.2-177.2-175.4173.2-178.3175.90114Q302 F303 R304Q302-K306 WeakPolarHBondContact O-CB 3.48Å; Q302-K306 PolarHBondContact O-N 3.17Å; Q302-K306 VanDerWaalsContact O-N 3.13Å; F303-K306 PolarHBondContact O-N 2.91Å; F303-K306 VanDerWaalsContact O-N 3.08Å; R304-K306 VanDerWaalsContact C-N 3.32Å; R304-K306 PolarHBondContact O-N 3.1Å
307R95.7Very high96.5Very high101 Ų10156.3 Ų56.338%0.38127%0.265SS..Hα-helixtrans-117.9-24.2-167.2-61.6-59.1-169.5177.16.1114.8M246 K248 F303M246-R307 VanDerWaalsContact O-CZ 3.3Å; M246-R307 PolarHBondContact O-NE 2.88Å; M246-R307 PolarHBondContact O-NH2 2.89Å; K248-R307 WeakPolarHBondContact O-CD 3.37Å; K248-R307 WeakPolarHBondContact O-CG 3.3Å; K248-R307 PolarHBondContact O-NE 3.17Å; F303-R307 HydrophobicContact CD2-CB 4.1Å; F303-R307 HydrophobicContact CD2-CG 3.68Å; F303-R307 HydrophobicContact CE2-CB 3.77Å; F303-R307 HydrophobicContact CE2-CG 3.66Å; F303-R307 HydrophobicContact CG-CG 4.47Å; F303-R307 HydrophobicContact CZ-CB 4.02Å; F303-R307 HydrophobicContact CZ-CG 4.42Å; F303-R307 WeakPolarHBondContact O-CB 3.41Å; F303-R307 PolarHBondContact O-N 3.16Å
308Q96.3Very high96.2Very high19 Ų1956.7 Ų56.79%0.08927%0.267CS..  trans-112.6140.9-174.8-66.8171.6-27.900111.3F303 R304 Q312 R313 D316F303-Q308 HydrophobicContact CE1-CG 4.38Å; R304-Q308 WeakPolarHBondContact O-CB 3.19Å; R304-Q308 PolarHBondContact O-N 3.17Å; Q308-Q312 HydrophobicContact CB-CB 3.82Å; Q308-Q312 HydrophobicContact CG-CB 4.1Å; Q308-R313 HydrophobicContact CB-CG 3.65Å; Q308-D316 PolarHBondContact NE2-OD2 2.89Å
309T96.4Very high95.8Very high79 Ų7965 Ų6549%0.48531%0.306SS..  trans-65.8161.2162.659.10000110.7Q311 Q312 R313T309-Q311 PolarHBondContact O-N 3.04Å; T309-Q311 VanDerWaalsContact O-N 3.08Å; T309-Q312 PolarHBondContact O-N 2.79Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.26Å; T309-Q312 PolarHBondContact OG1-N 3.2Å; T309-Q312 PolarHBondContact OG1-OE1 3.09Å; T309-R313 WeakPolarHBondContact O-CG 3.49Å; T309-R313 PolarHBondContact O-N 3.44Å
310K94.3Very high95.4Very high166 Ų16668.9 Ų68.972%0.72233%0.327SS*.THydrogen-bonded Turntrans-51.6-33.5174.5-67.8-170.4177.6-173.70113.3
311Q96Very high94.4Very high149 Ų14971.1 Ų71.170%0.69634%0.343SS*.THydrogen-bonded Turntrans-72.2-49.2176.1-175.2178.92.400111.9T309 R313 E314 T315T309-Q311 PolarHBondContact O-N 3.04Å; T309-Q311 VanDerWaalsContact O-N 3.08Å; Q311-R313 PolarHBondContact O-N 2.91Å; Q311-E314 PolarHBondContact O-N 2.81Å; Q311-T315 PolarHBondContact O-N 3.34Å; Q311-T315 PolarHBondContact O-OG1 3.24Å
312Q96.3Very high92.9Very high79 Ų7980.6 Ų80.637%0.36938%0.384SS..Hα-helixtrans-60.2-34.2177.9-73.2164.3-59.900112.2Q308 T309 E314 T315 D316Q308-Q312 HydrophobicContact CB-CB 3.82Å; Q308-Q312 HydrophobicContact CG-CB 4.1Å; T309-Q312 PolarHBondContact O-N 2.79Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.26Å; T309-Q312 PolarHBondContact OG1-N 3.2Å; T309-Q312 PolarHBondContact OG1-OE1 3.09Å; Q312-E314 PolarHBondContact O-N 3.06Å; Q312-E314 VanDerWaalsContact O-N 3.16Å; Q312-T315 PolarHBondContact O-N 3.48Å; Q312-T315 VanDerWaalsContact O-N 3.1Å; Q312-D316 HydrophobicContact CB-CB 4.36Å; Q312-D316 WeakPolarHBondContact O-CB 3.36Å; Q312-D316 PolarHBondContact O-N 3.47Å
313R96.5Very high91.6Very high35 Ų3581.7 Ų81.713%0.13240%0.397CS..Hα-helixtrans-56.6-26.6174.1-78.4-154.8-49.7-171.43.2114E301 R304 Q308 T309 Q311 D347E301-R313 IonicContact OE1-NH1 2.91Å; R304-R313 HydrophobicContact CB-CG 4.15Å; R304-R313 PolarHBondContact NH2-O 3.13Å; Q308-R313 HydrophobicContact CB-CG 3.65Å; T309-R313 WeakPolarHBondContact O-CG 3.49Å; T309-R313 PolarHBondContact O-N 3.44Å; Q311-R313 PolarHBondContact O-N 2.91Å; R313-D347 WeakPolarHBondContact CD-OD1 3.41Å; R313-D347 VanDerWaalsContact CZ-CG 3.49Å; R313-D347 IonicContact CZ-OD1 3.94Å; R313-D347 VanDerWaalsContact CZ-OD1 3.25Å; R313-D347 IonicContact CZ-OD2 2.74Å; R313-D347 VanDerWaalsContact NE-CG 3.35Å; R313-D347 IonicContact NE-OD1 2.68Å; R313-D347 PolarHBondContact NE-OD1 2.9Å; R313-D347 IonicContact NE-OD2 3.73Å; R313-D347 PolarHBondContact NE-OD2 2.85Å; R313-D347 IonicContact NH1-OD1 2.75Å; R313-D347 VanDerWaalsContact NH2-CG 3.33Å; R313-D347 IonicContact NH2-OD1 3.35Å; R313-D347 IonicContact NH2-OD2 3.47Å; R313-D347 PolarHBondContact NH2-OD2 3.15Å
314E96.4Very high90.6Very high81 Ų8182.4 Ų82.438%0.37940%0.402SS..Hα-helixtrans-95.8-18.8177.4-60.1-67.1147.800113.4Q311 Q312 A346 D347Q311-E314 PolarHBondContact O-N 2.81Å; Q312-E314 PolarHBondContact O-N 3.06Å; Q312-E314 VanDerWaalsContact O-N 3.16Å; E314-A346 WeakPolarHBondContact OE2-CA 3.34Å; E314-D347 VanDerWaalsContact OE1-CB 3.25Å; E314-D347 WeakPolarHBondContact OE1-CB 3.42Å; E314-D347 PolarHBondContact OE1-N 3Å
315T95.6Very high90.1Very high92 Ų9284.9 Ų84.956%0.56442%0.416SS*.Hα-helixtrans-130.9-10.2-166.369.90000116.5Q311 Q312 Y317Q311-T315 PolarHBondContact O-N 3.34Å; Q311-T315 PolarHBondContact O-OG1 3.24Å; Q312-T315 PolarHBondContact O-N 3.48Å; Q312-T315 VanDerWaalsContact O-N 3.1Å; T315-Y317 VanDerWaalsContact C-N 3.32Å; T315-Y317 PolarHBondContact O-N 3.12Å
316D94.3Very high89.9Confident29 Ų2986.8 Ų86.816%0.15542%0.418CS..  trans-77.879.3-178.6-174.524.2000110.5Y251 Q308 Q312Y251-D316 WeakPolarHBondContact CB-O 3.26Å; Y251-D316 WeakPolarHBondContact CB-OD2 3.18Å; Y251-D316 WeakPolarHBondContact CD1-O 3.5Å; Y251-D316 PolarHBondContact N-OD2 2.88Å; Q308-D316 PolarHBondContact NE2-OD2 2.89Å; Q312-D316 HydrophobicContact CB-CB 4.36Å; Q312-D316 WeakPolarHBondContact O-CB 3.36Å; Q312-D316 PolarHBondContact O-N 3.47Å
317Y95.2Very high89.7Confident29 Ų2981.4 Ų81.411%0.11440%0.395CS..  trans-115.6143.6172.7-157.6-86.4000109.9P146 A147 P150 Y251 T315 H328 A330 N341 Q342 L345P146-Y317 VanDerWaalsContact C-OH 3.24Å; P146-Y317 HydrophobicContact CB-CE1 3.92Å; P146-Y317 HydrophobicContact CB-CE2 4.45Å; P146-Y317 WeakPolarHBondContact CB-OH 3.43Å; P146-Y317 PolarHBondContact O-OH 3.25Å; A147-Y317 PolarHBondContact N-OH 3.19Å; P150-Y317 HydrophobicContact CG-CE2 4.33Å; Y251-Y317 HydrophobicContact CE1-CD2 4.16Å; Y251-Y317 HydrophobicContact CE1-CE2 4.29Å; T315-Y317 VanDerWaalsContact C-N 3.32Å; T315-Y317 PolarHBondContact O-N 3.12Å; Y317-H328 VanDerWaalsContact CE1-O 3.3Å; Y317-H328 WeakPolarHBondContact CE1-O 3.44Å; Y317-H328 PolarHBondContact OH-O 3.27Å; Y317-A330 HydrophobicContact CD1-CB 3.42Å; Y317-A330 VanDerWaalsContact CD1-CB 3.42Å; Y317-A330 VanDerWaalsContact CE1-CA 3.49Å; Y317-A330 HydrophobicContact CE1-CB 3.86Å; Y317-A330 HydrophobicContact CG-CB 4.09Å; Y317-N341 HydrophobicContact CE2-CB 4.09Å; Y317-N341 WeakPolarHBondContact OH-CB 3.39Å; Y317-Q342 HydrophobicContact CD2-CB 4.34Å; Y317-Q342 HydrophobicContact CG-CB 4.39Å; Y317-L345 HydrophobicContact CD2-CD1 4.11Å; Y317-L345 HydrophobicContact CD2-CD2 4.33Å; Y317-L345 HydrophobicContact CD2-CG 4.2Å
318P92.4Very high89.7Confident13 Ų1376.8 Ų76.88%0.08438%0.378CS..  trans-71.7153.3-175.2-17.335.1000112.2P146 Y251 E252 T255P146-P318 HydrophobicContact CB-CG 3.97Å; P146-P318 HydrophobicContact CG-CB 4.39Å; P146-P318 HydrophobicContact CG-CG 3.99Å; Y251-P318 HydrophobicContact CD1-CG 4.2Å; Y251-P318 HydrophobicContact CE1-CG 4.44Å; E252-P318 HydrophobicContact CB-CB 3.88Å; E252-P318 HydrophobicContact CB-CG 3.77Å; T255-P318 HydrophobicContact CG2-CG 4.17Å
319E89.5Confident89.6Confident181 Ų18178.8 Ų78.885%0.84639%0.385SS*.  trans-62.7148.1175.4-65-173.8174.400112.4S321E319-S321 PolarHBondContact O-N 3.17Å
320D89Confident89.5Confident80 Ų8075.9 Ų75.943%0.42837%0.369SS..  trans-66.587.6-177.4-73.8-10.1000111.8Y329 A330D320-Y329 HydrophobicContact CB-CD1 3.88Å; D320-Y329 HydrophobicContact CB-CD2 4.2Å; D320-Y329 HydrophobicContact CB-CE1 4.12Å; D320-Y329 HydrophobicContact CB-CE2 4.4Å; D320-Y329 HydrophobicContact CB-CG 3.94Å; D320-Y329 VanDerWaalsContact CG-CB 3.47Å; D320-Y329 VanDerWaalsContact CG-CG 3.43Å; D320-Y329 WeakPolarHBondContact OD1-CA 3.34Å; D320-Y329 WeakPolarHBondContact OD1-CB 3.2Å; D320-A330 PolarHBondContact OD1-N 3.48Å
321S77.8Confident89.6Confident48 Ų4871.3 Ų71.334%0.33636%0.358SS..  trans-91.3143.9-179.1174.80000113.5E319 S323 C324E319-S321 PolarHBondContact O-N 3.17Å; S321-S323 PolarHBondContact O-N 3.49Å; S321-S323 PolarHBondContact OG-N 2.87Å; S321-S323 PolarHBondContact OG-OG 3.38Å; S321-C324 CarbonylContact O-C 3.53Å; S321-C324 WeakPolarHBondContact O-CB 3.45Å; S321-C324 PolarHBondContact O-N 3.08Å; S321-C324 VanDerWaalsContact O-O 3.04Å
322K65.2Low89.6Confident202 Ų20266.1 Ų66.188%0.87834%0.337SS*.THydrogen-bonded Turntrans-64-14.9169.2-65.5-178.5-177.6174.70114.2C324K322-C324 VanDerWaalsContact C-N 3.3Å; K322-C324 CarbonylContact C-O 3.55Å
323S70.6Confident89.6Confident77 Ų7765.1 Ų65.154%0.53834%0.336SS..THydrogen-bonded Turntrans-71.9-28.8171.462.10000111.7S321S321-S323 PolarHBondContact O-N 3.49Å; S321-S323 PolarHBondContact OG-N 2.87Å; S321-S323 PolarHBondContact OG-OG 3.38Å
324C77.4Confident89.6Confident14 Ų1463.6 Ų63.610%0.09533%0.33CS..SBendtrans-84156.8163.6-52.70000110.3P146 C257 S321 K322 H328P146-C324 WeakPolarHBondContact CD-SG 3.01Å; C257-C324 HydrophobicContact CB-CB 4.44Å; C257-C324 WeakPolarHBondContact CB-SG 3.5Å; C257-C324 WeakPolarHBondContact SG-CA 3.4Å; C257-C324 WeakPolarHBondContact SG-CB 3.41Å; C257-C324 CovalentContact SG-SG 2.04Å; C257-C324 PolarHBondContact SG-SG 3.11Å; S321-C324 CarbonylContact O-C 3.53Å; S321-C324 WeakPolarHBondContact O-CB 3.45Å; S321-C324 PolarHBondContact O-N 3.08Å; S321-C324 VanDerWaalsContact O-O 3.04Å; K322-C324 VanDerWaalsContact C-N 3.3Å; K322-C324 CarbonylContact C-O 3.55Å; C324-H328 HydrophobicContact CB-CB 4.46Å
325N85.1Confident89.5Confident54 Ų5463.9 Ų63.929%0.28933%0.332SS..  trans-87.2158.916373.376.4000109.8N327 H328N325-N327 PolarHBondContact O-N 3.13Å; N325-N327 WeakPolarHBondContact OD1-CB 3.49Å; N325-N327 PolarHBondContact OD1-N 3.44Å; N325-N327 PolarHBondContact OD1-ND2 3.26Å; N325-H328 PolarHBondContact ND2-CD2 2.55Å; N325-H328 PolarHBondContact ND2-NE2 2.87Å; N325-H328 PolarHBondContact O-N 2.82Å
326R91.7Very high89.4Confident158 Ų15860.2 Ų60.260%0.59631%0.31SS*.G310 helixtrans-54.3-22.3-176.570.5176.2-178.6-178.5-1.9115.7H328 Y329 T332R326-H328 PolarHBondContact O-N 3.28Å; R326-Y329 HydrophobicContact CB-CD2 3.97Å; R326-Y329 HydrophobicContact CB-CE2 3.81Å; R326-Y329 HydrophobicContact CB-CG 4.41Å; R326-Y329 WeakPolarHBondContact O-CB 3.2Å; R326-Y329 PolarHBondContact O-N 3.18Å; R326-T332 PolarHBondContact O-OG1 3.4Å
327N92.4Very high89.5Confident24 Ų2458.9 Ų58.913%0.12830%0.302CS..G310 helixtrans-69.3-12.3-179.3-46.9-42.5000112.3P140 N325 N341P140-N327 HydrophobicContact CB-CB 4.36Å; P140-N327 HydrophobicContact CG-CB 4.38Å; N325-N327 PolarHBondContact O-N 3.13Å; N325-N327 WeakPolarHBondContact OD1-CB 3.49Å; N325-N327 PolarHBondContact OD1-N 3.44Å; N325-N327 PolarHBondContact OD1-ND2 3.26Å; N327-N341 PolarHBondContact O-ND2 3.04Å
328H94.3Very high89.3Confident3 Ų363.4 Ų63.41%0.01433%0.325CS..G310 helixtrans-105.76.4174.7-46.4-78.2000113.9G141 L143 P146 A147 Y317 C324 N325 R326G141-H328 PolarHBondContact O-CE1 3.06Å; G141-H328 VanDerWaalsContact O-CE1 3.27Å; G141-H328 PolarHBondContact O-ND1 2.97Å; L143-H328 PolarHBondContact O-CE1 3.35Å; L143-H328 VanDerWaalsContact O-CE1 3.25Å; P146-H328 HydrophobicContact CB-CB 4.42Å; A147-H328 HydrophobicContact CB-CB 4.31Å; Y317-H328 VanDerWaalsContact CE1-O 3.3Å; Y317-H328 WeakPolarHBondContact CE1-O 3.44Å; Y317-H328 PolarHBondContact OH-O 3.27Å; C324-H328 HydrophobicContact CB-CB 4.46Å; N325-H328 PolarHBondContact ND2-CD2 2.55Å; N325-H328 PolarHBondContact ND2-NE2 2.87Å; N325-H328 PolarHBondContact O-N 2.82Å; R326-H328 PolarHBondContact O-N 3.28Å
329Y95.2Very high89.5Confident62 Ų6264.2 Ų64.224%0.24333%0.328CS..  trans-67144.5177.8-71-0.5000110.8D320 R326 S331 T332 N341D320-Y329 HydrophobicContact CB-CD1 3.88Å; D320-Y329 HydrophobicContact CB-CD2 4.2Å; D320-Y329 HydrophobicContact CB-CE1 4.12Å; D320-Y329 HydrophobicContact CB-CE2 4.4Å; D320-Y329 HydrophobicContact CB-CG 3.94Å; D320-Y329 VanDerWaalsContact CG-CB 3.47Å; D320-Y329 VanDerWaalsContact CG-CG 3.43Å; D320-Y329 WeakPolarHBondContact OD1-CA 3.34Å; D320-Y329 WeakPolarHBondContact OD1-CB 3.2Å; R326-Y329 HydrophobicContact CB-CD2 3.97Å; R326-Y329 HydrophobicContact CB-CE2 3.81Å; R326-Y329 HydrophobicContact CB-CG 4.41Å; R326-Y329 WeakPolarHBondContact O-CB 3.2Å; R326-Y329 PolarHBondContact O-N 3.18Å; Y329-S331 PolarHBondContact O-N 3.13Å; Y329-T332 PolarHBondContact O-N 3.16Å; Y329-N341 PolarHBondContact O-ND2 3.42Å
330A94.9Very high89.9Confident18 Ų1859.9 Ų59.915%0.14931%0.306CS..THydrogen-bonded Turntrans-53.9-43.9-17300000112.3Y317 D320 Q342Y317-A330 HydrophobicContact CD1-CB 3.42Å; Y317-A330 VanDerWaalsContact CD1-CB 3.42Å; Y317-A330 VanDerWaalsContact CE1-CA 3.49Å; Y317-A330 HydrophobicContact CE1-CB 3.86Å; Y317-A330 HydrophobicContact CG-CB 4.09Å; D320-A330 PolarHBondContact OD1-N 3.48Å; A330-Q342 HydrophobicContact CB-CB 4.29Å; A330-Q342 WeakPolarHBondContact O-CG 3.2Å; A330-Q342 PolarHBondContact O-N 2.89Å; A330-Q342 VanDerWaalsContact O-N 3.17Å
331S95.3Very high90.3Very high70 Ų7056.1 Ų56.149%0.4929%0.286SS..THydrogen-bonded Turntrans-81.2-10.3-176.562.10000114.9Y329Y329-S331 PolarHBondContact O-N 3.13Å
332T95.5Very high91.2Very high40 Ų4057.2 Ų57.225%0.24529%0.286CS..SBendtrans-79.9140.4-177.5-71.10000111.1R326 Y329 M334 K340 N341R326-T332 PolarHBondContact O-OG1 3.4Å; Y329-T332 PolarHBondContact O-N 3.16Å; T332-M334 PolarHBondContact O-N 3.45Å; T332-K340 CarbonylContact O-C 3.53Å; T332-K340 WeakPolarHBondContact O-CA 3.45Å; T332-N341 PolarHBondContact O-N 2.81Å; T332-N341 PolarHBondContact O-ND2 2.74Å
333T97.1Very high92.7Very high57 Ų5750.6 Ų50.635%0.3526%0.26SS..BIsolated β-bridgetrans-57.9126.7174.1-49.10000110.8Q335 F337 I339T333-Q335 PolarHBondContact O-N 3.45Å; T333-F337 VanDerWaalsContact CG2-O 3.27Å; T333-F337 WeakPolarHBondContact CG2-O 3.36Å; T333-I339 CarbonylContact C-O 3.49Å; T333-I339 WeakPolarHBondContact CA-O 3.48Å
334M96.9Very high93.9Very high4 Ų446.9 Ų46.92%0.0223%0.234CC..  trans-74.270.3175.6-170.3-162.4-68.900109.8P150 Y151 E154 T332 F337 I339 N341P150-M334 HydrophobicContact CB-CE 3.54Å; Y151-M334 VanDerWaalsContact CA-SD 3.58Å; Y151-M334 HydrophobicContact CD2-CG 4.12Å; Y151-M334 HydrophobicContact CD2-SD 4.42Å; E154-M334 HydrophobicContact CB-SD 4.13Å; T332-M334 PolarHBondContact O-N 3.45Å; M334-F337 HydrophobicContact CG-CD2 3.93Å; M334-F337 WeakPolarHBondContact O-CA 3.44Å; M334-F337 VanDerWaalsContact O-CB 3.3Å; M334-F337 WeakPolarHBondContact O-CB 3.48Å; M334-F337 VanDerWaalsContact O-CD2 3.3Å; M334-F337 WeakPolarHBondContact O-CD2 3.44Å; M334-F337 PolarHBondContact O-N 3.03Å; M334-F337 HydrophobicContact SD-CD2 3.61Å; M334-F337 HydrophobicContact SD-CE2 4.09Å; M334-I339 HydrophobicContact CB-CG1 4.28Å; M334-I339 HydrophobicContact CE-CD1 4.2Å; M334-I339 PolarHBondContact N-O 3.01Å; M334-I339 HydrophobicContact SD-CD1 4.28Å; M334-I339 HydrophobicContact SD-CG1 4.44Å; M334-N341 WeakPolarHBondContact CA-OD1 3.33Å; M334-N341 WeakPolarHBondContact CB-OD1 3.39Å
335Q94.5Very high94.9Very high86 Ų8646.4 Ų46.440%0.40223%0.231SC..THydrogen-bonded Turntrans-53.9139.1-176.7-69.4-68.8-3700111.7Y138 S139 P140 T333Y138-Q335 CarbonylContact O-C 3.52Å; Y138-Q335 VanDerWaalsContact O-C 3.31Å; Y138-Q335 WeakPolarHBondContact O-CB 3.37Å; S139-Q335 WeakPolarHBondContact CA-O 3.22Å; P140-Q335 HydrophobicContact CG-CB 4.32Å; T333-Q335 PolarHBondContact O-N 3.45Å
336P94Very high95.5Very high16 Ų1644.6 Ų44.610%0.10422%0.223CC..THydrogen-bonded Turncis-87.21.10.234.8-36.4000115.1F59 I133 Y138 S139 Q338F59-P336 HydrophobicContact CE1-CB 3.97Å; F59-P336 HydrophobicContact CE1-CG 3.54Å; F59-P336 HydrophobicContact CZ-CG 3.8Å; I133-P336 HydrophobicContact CG2-CG 3.81Å; Y138-P336 WeakPolarHBondContact O-CD 3.35Å; S139-P336 WeakPolarHBondContact OG-CD 3.34Å; P336-Q338 PolarHBondContact O-NE2 3.27Å
337F95.6Very high95.7Very high0 Ų037.2 Ų37.20%020%0.196CC..SBendtrans-65.7145.3177.9-44.8-72.8000111.1F59 Y151 E154 F155 D158 T333 M334 I339F59-F337 HydrophobicContact CE1-CD1 4.5Å; F59-F337 HydrophobicContact CE2-CD1 4.28Å; F59-F337 AromaticContact CE2-CE1 3.83Å; F59-F337 HydrophobicContact CE2-CE1 3.83Å; F59-F337 AromaticContact CZ-CD1 3.59Å; F59-F337 HydrophobicContact CZ-CD1 3.59Å; F59-F337 AromaticContact CZ-CE1 3.47Å; F59-F337 HydrophobicContact CZ-CE1 3.47Å; F59-F337 VanDerWaalsContact CZ-CE1 3.47Å; F59-F337 HydrophobicContact CZ-CZ 4.42Å; Y151-F337 HydrophobicContact CD2-CD2 4.23Å; Y151-F337 AromaticContact CD2-CE2 3.62Å; Y151-F337 HydrophobicContact CD2-CE2 3.62Å; Y151-F337 HydrophobicContact CE2-CD2 4.2Å; Y151-F337 AromaticContact CE2-CE2 3.4Å; Y151-F337 HydrophobicContact CE2-CE2 3.4Å; Y151-F337 VanDerWaalsContact CE2-CE2 3.4Å; Y151-F337 HydrophobicContact CE2-CZ 4.16Å; Y151-F337 HydrophobicContact CG-CE2 4.42Å; E154-F337 HydrophobicContact CB-CD2 4.17Å; E154-F337 HydrophobicContact CB-CE1 4.39Å; E154-F337 HydrophobicContact CB-CE2 3.95Å; E154-F337 HydrophobicContact CB-CG 4.47Å; E154-F337 HydrophobicContact CB-CZ 4.1Å; E154-F337 HydrophobicContact CG-CB 4.18Å; E154-F337 HydrophobicContact CG-CD1 3.42Å; E154-F337 VanDerWaalsContact CG-CD1 3.42Å; E154-F337 HydrophobicContact CG-CD2 3.69Å; E154-F337 HydrophobicContact CG-CE1 3.56Å; E154-F337 HydrophobicContact CG-CE2 3.79Å; E154-F337 HydrophobicContact CG-CG 3.5Å; E154-F337 HydrophobicContact CG-CZ 3.75Å; F155-F337 HydrophobicContact CB-CZ 3.89Å; F155-F337 HydrophobicContact CD2-CZ 4.13Å; D158-F337 WeakPolarHBondContact OD2-CE1 3.39Å; T333-F337 VanDerWaalsContact CG2-O 3.27Å; T333-F337 WeakPolarHBondContact CG2-O 3.36Å; M334-F337 HydrophobicContact CG-CD2 3.93Å; M334-F337 WeakPolarHBondContact O-CA 3.44Å; M334-F337 VanDerWaalsContact O-CB 3.3Å; M334-F337 WeakPolarHBondContact O-CB 3.48Å; M334-F337 VanDerWaalsContact O-CD2 3.3Å; M334-F337 WeakPolarHBondContact O-CD2 3.44Å; M334-F337 PolarHBondContact O-N 3.03Å; M334-F337 HydrophobicContact SD-CD2 3.61Å; M334-F337 HydrophobicContact SD-CE2 4.09Å; F337-I339 HydrophobicContact CB-CG1 4.06Å; F337-I339 PolarHBondContact O-N 2.87Å; F337-I339 VanDerWaalsContact O-N 3.12Å
338Q92Very high95.8Very high125 Ų12538.5 Ų38.558%0.58420%0.202SC*.SBendtrans-87.635.1-176.5-57.9-57.5-5700113.1P336P336-Q338 PolarHBondContact O-NE2 3.27Å
339I96.2Very high96Very high29 Ų2938.4 Ų38.415%0.14920%0.202CC..SBendtrans-124.4164.3178.365.8174.3000109.7E154 T333 M334 F337 D343E154-I339 HydrophobicContact CG-CD1 4.2Å; T333-I339 CarbonylContact C-O 3.49Å; T333-I339 WeakPolarHBondContact CA-O 3.48Å; M334-I339 HydrophobicContact CB-CG1 4.28Å; M334-I339 HydrophobicContact CE-CD1 4.2Å; M334-I339 PolarHBondContact N-O 3.01Å; M334-I339 HydrophobicContact SD-CD1 4.28Å; M334-I339 HydrophobicContact SD-CG1 4.44Å; F337-I339 HydrophobicContact CB-CG1 4.06Å; F337-I339 PolarHBondContact O-N 2.87Å; F337-I339 VanDerWaalsContact O-N 3.12Å; I339-D343 HydrophobicContact CB-CB 4.12Å
340K97.4Very high96Very high90 Ų9036.6 Ų36.639%0.39120%0.197SC..BIsolated β-bridgetrans-82.9160.8171.9-58.7167.8178.3170.90110.9T332 Q342 D343T332-K340 CarbonylContact O-C 3.53Å; T332-K340 WeakPolarHBondContact O-CA 3.45Å; K340-Q342 VanDerWaalsContact C-N 3.27Å; K340-Q342 HydrophobicContact CB-CG 4.01Å; K340-Q342 HydrophobicContact CD-CG 4.49Å; K340-Q342 PolarHBondContact O-N 2.83Å; K340-D343 VanDerWaalsContact CB-OD2 3.28Å; K340-D343 WeakPolarHBondContact CB-OD2 3.32Å; K340-D343 PolarHBondContact N-OD2 2.85Å; K340-D343 WeakPolarHBondContact O-CB 3.49Å; K340-D343 PolarHBondContact O-N 3.12Å
341N97Very high96Very high1 Ų141.8 Ų41.81%0.00522%0.218CC..G310 helixtrans-55.5-42.2175.9-71.1-39.8000112.8A147 Y317 N327 Y329 T332 M334 D343 G344A147-N341 HydrophobicContact CB-CB 4.37Å; A147-N341 WeakPolarHBondContact CB-OD1 3.46Å; Y317-N341 HydrophobicContact CE2-CB 4.09Å; Y317-N341 WeakPolarHBondContact OH-CB 3.39Å; N327-N341 PolarHBondContact O-ND2 3.04Å; Y329-N341 PolarHBondContact O-ND2 3.42Å; T332-N341 PolarHBondContact O-N 2.81Å; T332-N341 PolarHBondContact O-ND2 2.74Å; M334-N341 WeakPolarHBondContact CA-OD1 3.33Å; M334-N341 WeakPolarHBondContact CB-OD1 3.39Å; N341-D343 VanDerWaalsContact C-N 3.29Å; N341-D343 PolarHBondContact O-N 3.25Å; N341-G344 PolarHBondContact O-N 2.97Å
342Q96.5Very high96Very high72 Ų7241.6 Ų41.634%0.33621%0.21SC..G310 helixtrans-63.1-31.917670.8179.83100113Y317 A330 K340 G344 L345Y317-Q342 HydrophobicContact CD2-CB 4.34Å; Y317-Q342 HydrophobicContact CG-CB 4.39Å; A330-Q342 HydrophobicContact CB-CB 4.29Å; A330-Q342 WeakPolarHBondContact O-CG 3.2Å; A330-Q342 PolarHBondContact O-N 2.89Å; A330-Q342 VanDerWaalsContact O-N 3.17Å; K340-Q342 VanDerWaalsContact C-N 3.27Å; K340-Q342 HydrophobicContact CB-CG 4.01Å; K340-Q342 HydrophobicContact CD-CG 4.49Å; K340-Q342 PolarHBondContact O-N 2.83Å; Q342-G344 PolarHBondContact O-N 3.09Å; Q342-L345 WeakPolarHBondContact O-CB 3.31Å; Q342-L345 VanDerWaalsContact O-CG 3.29Å; Q342-L345 WeakPolarHBondContact O-CG 3.47Å; Q342-L345 PolarHBondContact O-N 3.35Å
343D96.9Very high96.1Very high62 Ų6239.8 Ų39.833%0.33220%0.198SC..G310 helixtrans-71.9-18.4-175.4-51.9-23.8000110.8I339 K340 N341 L345 A346I339-D343 HydrophobicContact CB-CB 4.12Å; K340-D343 VanDerWaalsContact CB-OD2 3.28Å; K340-D343 WeakPolarHBondContact CB-OD2 3.32Å; K340-D343 PolarHBondContact N-OD2 2.85Å; K340-D343 WeakPolarHBondContact O-CB 3.49Å; K340-D343 PolarHBondContact O-N 3.12Å; N341-D343 VanDerWaalsContact C-N 3.29Å; N341-D343 PolarHBondContact O-N 3.25Å; D343-L345 PolarHBondContact O-N 3.31Å; D343-A346 PolarHBondContact O-N 3.18Å
344G96.9Very high96.1Very high0 Ų037 Ų370%018%0.182CC..G310 helixtrans-72.6-3.5168.900000115.1N341 Q342 A346 Y349N341-G344 PolarHBondContact O-N 2.97Å; Q342-G344 PolarHBondContact O-N 3.09Å; G344-A346 VanDerWaalsContact C-N 3.31Å; G344-Y349 WeakPolarHBondContact O-CE2 3.29Å
345L97.4Very high96.1Very high4 Ų440 Ų402%0.02120%0.2CC..G310 helixtrans-74.2-19.5168.7-65.9-176.8000113.2P150 Y251 W300 R304 Y317 Q342 D343P150-L345 HydrophobicContact CG-CD2 4.22Å; Y251-L345 HydrophobicContact CD1-CD2 4.35Å; Y251-L345 HydrophobicContact CE1-CD2 4.28Å; W300-L345 HydrophobicContact CH2-CD2 3.91Å; W300-L345 HydrophobicContact CZ2-CD2 3.6Å; R304-L345 PolarHBondContact NH2-O 3.37Å; Y317-L345 HydrophobicContact CD2-CD1 4.11Å; Y317-L345 HydrophobicContact CD2-CD2 4.33Å; Y317-L345 HydrophobicContact CD2-CG 4.2Å; Q342-L345 WeakPolarHBondContact O-CB 3.31Å; Q342-L345 VanDerWaalsContact O-CG 3.29Å; Q342-L345 WeakPolarHBondContact O-CG 3.47Å; Q342-L345 PolarHBondContact O-N 3.35Å; D343-L345 PolarHBondContact O-N 3.31Å
346A97.1Very high96.3Very high15 Ų1537.7 Ų37.712%0.12419%0.188CC..  trans-53.2141-163.900000115.3E314 D343 G344 L348 Y349E314-A346 WeakPolarHBondContact OE2-CA 3.34Å; D343-A346 PolarHBondContact O-N 3.18Å; G344-A346 VanDerWaalsContact C-N 3.31Å; A346-L348 HydrophobicContact CB-CB 3.98Å; A346-L348 PolarHBondContact O-N 2.88Å; A346-Y349 HydrophobicContact CB-CE2 4.27Å; A346-Y349 WeakPolarHBondContact O-CD2 3.16Å
347D96.4Very high96.4Very high4 Ų439.1 Ų39.12%0.02119%0.194CC..THydrogen-bonded Turntrans-65.9-14.5170.3-76.2-26.8000112.7R304 R313 E314 Y349 T350 Q351R304-D347 IonicContact CZ-OD1 3.13Å; R304-D347 VanDerWaalsContact CZ-OD1 3.25Å; R304-D347 IonicContact NH1-OD1 3.2Å; R304-D347 PolarHBondContact NH1-OD1 3.05Å; R304-D347 IonicContact NH2-OD1 2.71Å; R304-D347 PolarHBondContact NH2-OD1 3.03Å; R313-D347 WeakPolarHBondContact CD-OD1 3.41Å; R313-D347 VanDerWaalsContact CZ-CG 3.49Å; R313-D347 IonicContact CZ-OD1 3.94Å; R313-D347 VanDerWaalsContact CZ-OD1 3.25Å; R313-D347 IonicContact CZ-OD2 2.74Å; R313-D347 VanDerWaalsContact NE-CG 3.35Å; R313-D347 IonicContact NE-OD1 2.68Å; R313-D347 PolarHBondContact NE-OD1 2.9Å; R313-D347 IonicContact NE-OD2 3.73Å; R313-D347 PolarHBondContact NE-OD2 2.85Å; R313-D347 IonicContact NH1-OD1 2.75Å; R313-D347 VanDerWaalsContact NH2-CG 3.33Å; R313-D347 IonicContact NH2-OD1 3.35Å; R313-D347 IonicContact NH2-OD2 3.47Å; R313-D347 PolarHBondContact NH2-OD2 3.15Å; E314-D347 VanDerWaalsContact OE1-CB 3.25Å; E314-D347 WeakPolarHBondContact OE1-CB 3.42Å; E314-D347 PolarHBondContact OE1-N 3Å; D347-Y349 PolarHBondContact O-N 2.98Å; D347-Y349 VanDerWaalsContact O-N 3.1Å; D347-T350 PolarHBondContact O-N 3.41Å; D347-T350 PolarHBondContact O-OG1 2.92Å; D347-Q351 HydrophobicContact CB-CG 4.43Å; D347-Q351 WeakPolarHBondContact O-CG 3.26Å; D347-Q351 PolarHBondContact O-N 3.46Å; D347-Q351 VanDerWaalsContact O-N 3.11Å
348L95.6Very high96.1Very high51 Ų5145.2 Ų45.227%0.26723%0.226SC..Hα-helixtrans-46.4-39.9177.8-172.872.6000113.3R66 A346 T350 Q351 E352R66-L348 HydrophobicContact CB-CD2 4.15Å; R66-L348 WeakPolarHBondContact O-CD2 3.29Å; A346-L348 HydrophobicContact CB-CB 3.98Å; A346-L348 PolarHBondContact O-N 2.88Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 3.12Å; L348-Q351 PolarHBondContact O-N 3.46Å; L348-E352 HydrophobicContact CD1-CG 3.63Å; L348-E352 HydrophobicContact CG-CG 4.29Å; L348-E352 WeakPolarHBondContact O-CB 3.45Å; L348-E352 PolarHBondContact O-N 3.41Å
349Y97.4Very high96.2Very high0 Ų041.9 Ų41.90%021%0.208CC..Iπ-helixtrans-58.3-43.3178.4-56.9-73.5000112.3R66 R153 E154 K157 G344 A346 D347 F353 Y354R66-Y349 PolarHBondContact NH1-OH 3.44Å; R66-Y349 PolarHBondContact NH2-OH 2.92Å; R153-Y349 HydrophobicContact CG-CD1 4.15Å; R153-Y349 HydrophobicContact CG-CD2 3.73Å; R153-Y349 HydrophobicContact CG-CE1 4.49Å; R153-Y349 HydrophobicContact CG-CE2 4.1Å; R153-Y349 HydrophobicContact CG-CG 3.77Å; E154-Y349 WeakPolarHBondContact OE2-CE1 3.08Å; E154-Y349 VanDerWaalsContact OE2-CZ 3.31Å; E154-Y349 PolarHBondContact OE2-OH 2.99Å; K157-Y349 HydrophobicContact CB-CD1 4.32Å; K157-Y349 HydrophobicContact CD-CD1 4.24Å; K157-Y349 HydrophobicContact CD-CE1 4.18Å; K157-Y349 HydrophobicContact CG-CD1 4.37Å; G344-Y349 WeakPolarHBondContact O-CE2 3.29Å; A346-Y349 HydrophobicContact CB-CE2 4.27Å; A346-Y349 WeakPolarHBondContact O-CD2 3.16Å; D347-Y349 PolarHBondContact O-N 2.98Å; D347-Y349 VanDerWaalsContact O-N 3.1Å; Y349-F353 PolarHBondContact O-N 2.72Å; Y349-F353 VanDerWaalsContact O-N 3.16Å; Y349-Y354 PolarHBondContact O-N 3.21Å; Y349-Y354 VanDerWaalsContact O-N 3.13Å
350T96Very high96.1Very high25 Ų2541.4 Ų41.415%0.15321%0.207CC..Iπ-helixtrans-90.5-2.3-176.956.70000114.1E301 D347 L348 Y354E301-T350 HydrophobicContact CG-CG2 4.04Å; D347-T350 PolarHBondContact O-N 3.41Å; D347-T350 PolarHBondContact O-OG1 2.92Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 3.12Å; T350-Y354 CarbonylContact C-O 3.54Å; T350-Y354 VanDerWaalsContact CA-O 3.25Å; T350-Y354 WeakPolarHBondContact CA-O 3.48Å; T350-Y354 HydrophobicContact CG2-CE2 4.1Å
351Q94.8Very high96Very high126 Ų12642 Ų4259%0.58922%0.218SC*.Iπ-helixtrans-102-42.5174.3-67.4177.61900112.1D347 L348D347-Q351 HydrophobicContact CB-CG 4.43Å; D347-Q351 WeakPolarHBondContact O-CG 3.26Å; D347-Q351 PolarHBondContact O-N 3.46Å; D347-Q351 VanDerWaalsContact O-N 3.11Å; L348-Q351 PolarHBondContact O-N 3.46Å
352E95Very high95.8Very high66 Ų6642.4 Ų42.431%0.30822%0.221SC..Iπ-helixtrans-95.5-53.3-177.9-72.7-72.7129.400112.6T67 M68 P92 L348T67-E352 WeakPolarHBondContact CA-OE2 3.31Å; T67-E352 VanDerWaalsContact CB-OE2 3.3Å; T67-E352 WeakPolarHBondContact CB-OE2 3.49Å; M68-E352 WeakPolarHBondContact CG-O 3.3Å; M68-E352 PolarHBondContact N-OE2 2.72Å; P92-E352 WeakPolarHBondContact CB-O 3.2Å; P92-E352 WeakPolarHBondContact CG-O 3.24Å; L348-E352 HydrophobicContact CD1-CG 3.63Å; L348-E352 HydrophobicContact CG-CG 4.29Å; L348-E352 WeakPolarHBondContact O-CB 3.45Å; L348-E352 PolarHBondContact O-N 3.41Å
353F97.5Very high95.6Very high2 Ų240.8 Ų40.81%0.00922%0.218CC..Iπ-helixtrans-92.5-45.2-158.8-70.7-78.6000114.3M65 R66 M68 P92 A93 K157 L161 Y349M65-F353 WeakPolarHBondContact O-CZ 3.33Å; R66-F353 WeakPolarHBondContact O-CE2 3.42Å; M68-F353 HydrophobicContact CG-CD1 4.36Å; M68-F353 HydrophobicContact SD-CD1 3.65Å; M68-F353 HydrophobicContact SD-CE1 4.16Å; M68-F353 HydrophobicContact SD-CG 4.48Å; P92-F353 CarbonylContact C-O 3.55Å; P92-F353 VanDerWaalsContact CA-O 3.31Å; P92-F353 WeakPolarHBondContact CA-O 3.26Å; A93-F353 PolarHBondContact N-O 2.75Å; K157-F353 HydrophobicContact CD-CD1 4.32Å; K157-F353 HydrophobicContact CD-CD2 4.09Å; K157-F353 HydrophobicContact CD-CE1 4.21Å; K157-F353 HydrophobicContact CD-CE2 3.95Å; K157-F353 HydrophobicContact CD-CG 4.25Å; K157-F353 HydrophobicContact CD-CZ 4Å; K157-F353 HydrophobicContact CG-CB 4.27Å; K157-F353 HydrophobicContact CG-CD1 3.99Å; K157-F353 HydrophobicContact CG-CD2 4.12Å; K157-F353 HydrophobicContact CG-CE1 4.35Å; K157-F353 HydrophobicContact CG-CE2 4.45Å; K157-F353 HydrophobicContact CG-CG 3.85Å; L161-F353 HydrophobicContact CD1-CD1 4.46Å; L161-F353 HydrophobicContact CD1-CE1 3.96Å; L161-F353 HydrophobicContact CD2-CD1 3.97Å; L161-F353 HydrophobicContact CD2-CE1 4.12Å; L161-F353 HydrophobicContact CG-CE1 4.5Å; Y349-F353 PolarHBondContact O-N 2.72Å; Y349-F353 VanDerWaalsContact O-N 3.16Å
354Y97.8Very high95.1Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-152.1163-176.462.5-92.2000112.8A93 R95 R153 D297 Y349 T350 Y356A93-Y354 CarbonylContact O-C 3.53Å; A93-Y354 WeakPolarHBondContact O-CA 3.42Å; R95-Y354 HydrophobicContact CG-CD2 4.44Å; R95-Y354 VanDerWaalsContact NH2-CD1 3.3Å; R153-Y354 WeakPolarHBondContact CG-OH 3.46Å; D297-Y354 PolarHBondContact OD2-OH 2.93Å; Y349-Y354 PolarHBondContact O-N 3.21Å; Y349-Y354 VanDerWaalsContact O-N 3.13Å; T350-Y354 CarbonylContact C-O 3.54Å; T350-Y354 VanDerWaalsContact CA-O 3.25Å; T350-Y354 WeakPolarHBondContact CA-O 3.48Å; T350-Y354 HydrophobicContact CG2-CE2 4.1Å; Y354-Y356 HydrophobicContact CD2-CD2 4.42Å; Y354-Y356 HydrophobicContact CD2-CE2 4.11Å; Y354-Y356 HydrophobicContact CE2-CD2 4.17Å; Y354-Y356 AromaticContact CE2-CE2 3.54Å; Y354-Y356 HydrophobicContact CE2-CE2 3.54Å
355T97.2Very high94.8Very high65 Ų6551 Ų5140%0.39927%0.27SS..EExtended strand (participates in β ladder)trans-130.5155.616756.70000108.8A93 R95A93-T355 PolarHBondContact O-N 2.8Å; R95-T355 PolarHBondContact N-O 2.82Å
356Y97.4Very high94.3Very high38 Ų3855.7 Ų55.715%0.14929%0.292CS..EExtended strand (participates in β ladder)trans-98.2134.8170.8-77-73.7000110.6R95 Y174 A294 D297 L298 Y354R95-Y356 HydrophobicContact CB-CD1 3.55Å; R95-Y356 HydrophobicContact CB-CE1 3.61Å; R95-Y356 HydrophobicContact CB-CG 4.44Å; R95-Y356 HydrophobicContact CG-CD1 4.5Å; R95-Y356 HydrophobicContact CG-CE1 4.24Å; R95-Y356 PolarHBondContact NH1-OH 2.89Å; R95-Y356 VanDerWaalsContact NH1-OH 3.1Å; Y174-Y356 AromaticContact CD1-CD1 3.73Å; Y174-Y356 HydrophobicContact CD1-CD1 3.73Å; Y174-Y356 AromaticContact CD1-CE1 3.99Å; Y174-Y356 HydrophobicContact CD1-CE1 3.99Å; Y174-Y356 HydrophobicContact CE1-CD1 4Å; A294-Y356 WeakPolarHBondContact O-CE1 3.27Å; A294-Y356 PolarHBondContact O-OH 2.92Å; D297-Y356 WeakPolarHBondContact CB-OH 3.36Å; D297-Y356 WeakPolarHBondContact OD2-CE2 3.44Å; D297-Y356 PolarHBondContact OD2-OH 3.01Å; D297-Y356 VanDerWaalsContact OD2-OH 3.05Å; L298-Y356 HydrophobicContact CB-CD1 3.91Å; L298-Y356 HydrophobicContact CB-CD2 4.26Å; L298-Y356 HydrophobicContact CB-CE1 3.84Å; L298-Y356 HydrophobicContact CB-CE2 4.18Å; L298-Y356 HydrophobicContact CB-CG 4.15Å; L298-Y356 HydrophobicContact CD1-CD1 4.02Å; L298-Y356 HydrophobicContact CD1-CD2 4.03Å; L298-Y356 HydrophobicContact CD1-CG 3.63Å; L298-Y356 HydrophobicContact CD2-CD1 4.42Å; L298-Y356 HydrophobicContact CG-CD1 4.35Å; L298-Y356 HydrophobicContact CG-CG 4.4Å; Y354-Y356 HydrophobicContact CD2-CD2 4.42Å; Y354-Y356 HydrophobicContact CD2-CE2 4.11Å; Y354-Y356 HydrophobicContact CE2-CD2 4.17Å; Y354-Y356 AromaticContact CE2-CE2 3.54Å; Y354-Y356 HydrophobicContact CE2-CE2 3.54Å
357D95.4Very high93.9Very high46 Ų4658.9 Ų58.925%0.24631%0.311CS..PPolyproline II helixtrans-76.8155.3166.3-152.9-14.3000110.6Q94 R95 R96 Y174Q94-D357 HydrophobicContact CG-CB 4.35Å; Q94-D357 PolarHBondContact NE2-OD2 2.88Å; R95-D357 PolarHBondContact O-N 3.04Å; R96-D357 HydrophobicContact CB-CB 4.45Å; R96-D357 WeakPolarHBondContact CD-OD2 3.49Å; R96-D357 HydrophobicContact CG-CB 3.76Å; R96-D357 IonicContact NE-OD2 2.98Å; R96-D357 PolarHBondContact NE-OD2 3.4Å; Y174-D357 PolarHBondContact OH-O 2.87Å; Y174-D357 VanDerWaalsContact OH-O 3.04Å
358I90.6Very high93.7Very high128 Ų12861.9 Ų61.966%0.65633%0.333SS*.PPolyproline II helixtrans-61.3144.9-177.860.3171.5000110.9Y174Y174-I358 PolarHBondContact OH-O 3.48Å
359R94.5Very high93.6Very high55 Ų5559.8 Ų59.821%0.20832%0.322CS..PPolyproline II helixtrans-61.1133.9172.6-67.6177.163.1-148-3.2108.7Y174 D176 T178 L298 T361Y174-R359 HydrophobicContact CE2-CG 4.36Å; Y174-R359 WeakPolarHBondContact OH-CA 3.26Å; Y174-R359 PolarHBondContact OH-N 3.37Å; D176-R359 IonicContact OD1-NH2 3.16Å; D176-R359 PolarHBondContact OD1-NH2 3.15Å; D176-R359 IonicContact OD2-CZ 3.29Å; D176-R359 IonicContact OD2-NE 3.47Å; D176-R359 PolarHBondContact OD2-NE 3.18Å; D176-R359 IonicContact OD2-NH2 2.96Å; D176-R359 PolarHBondContact OD2-NH2 3.42Å; T178-R359 PolarHBondContact OG1-NH2 3.11Å; L298-R359 HydrophobicContact CD2-CG 3.88Å; R359-T361 PolarHBondContact O-N 3.04Å
360P94.3Very high93.3Very high19 Ų1969.3 Ų69.312%0.12336%0.358CS..PPolyproline II helixtrans-56.5125.8-179.8-24.429.8000112E97 T100 M179 L374 C383E97-P360 HydrophobicContact CB-CG 3.9Å; E97-P360 HydrophobicContact CG-CG 4.29Å; T100-P360 HydrophobicContact CG2-CB 4.2Å; T100-P360 HydrophobicContact CG2-CG 3.45Å; T100-P360 VanDerWaalsContact CG2-CG 3.45Å; M179-P360 HydrophobicContact CE-CB 3.87Å; M179-P360 HydrophobicContact CE-CG 3.87Å; P360-L374 HydrophobicContact CB-CD1 3.79Å; P360-L374 HydrophobicContact CG-CD1 3.9Å; P360-C383 HydrophobicContact CB-CB 4.18Å
361T93.5Very high93.2Very high102 Ų10268.9 Ų68.963%0.62636%0.357SS*.  trans-125.2157179.349.50000110.5R359 C383R359-T361 PolarHBondContact O-N 3.04Å; T361-C383 VanDerWaalsContact C-SG 3.54Å
362C94.4Very high93.1Very high10 Ų1066.6 Ų66.67%0.06835%0.353CS..  trans-150.7169.6173.172.90000109.1Q366 C376 S381 R382C362-Q366 WeakPolarHBondContact CA-O 3.4Å; C362-Q366 WeakPolarHBondContact CB-O 3.4Å; C362-C376 HydrophobicContact CB-CB 3.66Å; C362-C376 WeakPolarHBondContact CB-SG 3.47Å; C362-C376 WeakPolarHBondContact SG-CA 3.24Å; C362-C376 WeakPolarHBondContact SG-CB 3.01Å; C362-C376 CovalentContact SG-SG 2.03Å; C362-C376 PolarHBondContact SG-SG 2.32Å; C362-S381 CarbonylContact O-C 3.55Å; C362-S381 VanDerWaalsContact O-O 3.13Å; C362-R382 PolarHBondContact SG-O 3.26Å
363S91.4Very high93.2Very high39 Ų3964.7 Ų64.727%0.27334%0.343SS..  trans-149.7174175.265.30000109.9I365 Q366 P367S363-I365 PolarHBondContact O-N 3.2Å; S363-I365 PolarHBondContact OG-N 2.93Å; S363-Q366 PolarHBondContact N-O 2.91Å; S363-Q366 CarbonylContact O-C 3.54Å; S363-Q366 PolarHBondContact O-N 3.25Å; S363-Q366 VanDerWaalsContact O-N 3.09Å; S363-Q366 VanDerWaalsContact O-O 3.12Å; S363-Q366 PolarHBondContact OG-N 3.36Å; S363-Q366 VanDerWaalsContact OG-N 3.14Å; S363-P367 VanDerWaalsContact O-CA 3.28Å; S363-P367 WeakPolarHBondContact O-CA 3.24Å
364D87.1Confident93.2Very high108 Ų10864.8 Ų64.858%0.57834%0.343SS*.SBendtrans-61.5-26.5175.4-56.3-29.6000112.7T378D364-T378 VanDerWaalsContact OD1-CA 3.3Å; D364-T378 WeakPolarHBondContact OD1-CA 3.41Å; D364-T378 WeakPolarHBondContact OD1-CB 3.48Å; D364-T378 VanDerWaalsContact OD1-O 3.12Å
365I89.1Confident93Very high167 Ų16765 Ų6586%0.85634%0.344SS*.SBendtrans-82.2-31.9176.1-59.9164.9000111.3S363S363-I365 PolarHBondContact O-N 3.2Å; S363-I365 PolarHBondContact OG-N 2.93Å
366Q88.5Confident92.9Very high104 Ų10462.7 Ų62.749%0.48633%0.331SS..SBendtrans-127.376.5177.2-171.6167.331.500109.9C362 S363 S368C362-Q366 WeakPolarHBondContact CA-O 3.4Å; C362-Q366 WeakPolarHBondContact CB-O 3.4Å; S363-Q366 PolarHBondContact N-O 2.91Å; S363-Q366 CarbonylContact O-C 3.54Å; S363-Q366 PolarHBondContact O-N 3.25Å; S363-Q366 VanDerWaalsContact O-N 3.09Å; S363-Q366 VanDerWaalsContact O-O 3.12Å; S363-Q366 PolarHBondContact OG-N 3.36Å; S363-Q366 VanDerWaalsContact OG-N 3.14Å; Q366-S368 PolarHBondContact O-N 3.27Å
367P88.4Confident92.7Very high81 Ų8162.2 Ų62.253%0.52633%0.33SS..  trans-80.335.9-170.333.9-38.4000113.2S363 C376 T378S363-P367 VanDerWaalsContact O-CA 3.28Å; S363-P367 WeakPolarHBondContact O-CA 3.24Å; P367-C376 HydrophobicContact CB-CB 4.46Å; P367-C376 WeakPolarHBondContact O-CB 3.24Å; P367-T378 HydrophobicContact CB-CG2 4.27Å
368S91.6Very high92.4Very high67 Ų6762.9 Ų62.947%0.46934%0.336SS..  trans-129.8131.1-179.2-178.10000111.6Q366 R370Q366-S368 PolarHBondContact O-N 3.27Å; S368-R370 VanDerWaalsContact C-N 3.31Å; S368-R370 PolarHBondContact OG-N 3.3Å
369C93Very high92.3Very high7 Ų760.9 Ų60.95%0.04734%0.338CS..  trans-89.47.1175.1-660000113.7S371 L374 F375 C383C369-S371 PolarHBondContact O-N 3.21Å; C369-S371 VanDerWaalsContact O-N 3.17Å; C369-L374 HydrophobicContact CB-CB 3.58Å; C369-L374 HydrophobicContact CB-CD1 4.16Å; C369-F375 VanDerWaalsContact SG-C 3.58Å; C369-F375 PolarHBondContact SG-O 2.79Å; C369-C383 VanDerWaalsContact CA-SG 3.52Å; C369-C383 HydrophobicContact CB-CB 3.89Å; C369-C383 WeakPolarHBondContact CB-SG 3.31Å; C369-C383 WeakPolarHBondContact SG-CA 3.16Å; C369-C383 WeakPolarHBondContact SG-CB 3.16Å; C369-C383 CovalentContact SG-SG 2.03Å; C369-C383 PolarHBondContact SG-SG 3.28Å
370R91.2Very high92Very high200 Ų20064 Ų6476%0.75535%0.353SS*.SBendtrans52.833.2-177.7-55.1-177.3-176.2-178.41.4114S368S368-R370 VanDerWaalsContact C-N 3.31Å; S368-R370 PolarHBondContact OG-N 3.3Å
371S94.5Very high91.8Very high17 Ų1765.8 Ų65.812%0.11937%0.366CS..SBendtrans-148.6140.2179.1162.50000109.4R99 C369 Y373 L374R99-S371 WeakPolarHBondContact O-CB 3.45Å; R99-S371 PolarHBondContact O-OG 3.03Å; C369-S371 PolarHBondContact O-N 3.21Å; C369-S371 VanDerWaalsContact O-N 3.17Å; S371-Y373 PolarHBondContact O-N 2.84Å; S371-Y373 PolarHBondContact OG-N 3.47Å; S371-L374 VanDerWaalsContact O-O 3.13Å; S371-L374 PolarHBondContact OG-N 3.16Å
372P93.7Very high91.7Very high78 Ų7863 Ų6351%0.50634%0.344SS..THydrogen-bonded Turntrans-75.2-13.6171.332.8-35000112.8K386P372-K386 WeakPolarHBondContact O-CD 3.21Å; P372-K386 WeakPolarHBondContact O-CE 3.42Å
373Y96.2Very high91.8Very high25 Ų2562.8 Ų62.810%0.09834%0.343CS..THydrogen-bonded Turntrans-98.5-3.6-177.1-50.5-62.7000113.1M103 I190 F196 S371 K386 Y403M103-Y373 WeakPolarHBondContact CG-OH 3.42Å; M103-Y373 HydrophobicContact SD-CE2 4.08Å; M103-Y373 PolarHBondContact SD-OH 3.07Å; I190-Y373 HydrophobicContact CG1-CD1 4.02Å; I190-Y373 WeakPolarHBondContact CG2-O 3.35Å; F196-Y373 AromaticContact CE2-CD1 3.79Å; F196-Y373 HydrophobicContact CE2-CD1 3.79Å; F196-Y373 HydrophobicContact CE2-CD2 4.22Å; F196-Y373 HydrophobicContact CE2-CE1 4.01Å; F196-Y373 HydrophobicContact CE2-CE2 4.41Å; F196-Y373 AromaticContact CE2-CG 3.92Å; F196-Y373 HydrophobicContact CE2-CG 3.92Å; F196-Y373 HydrophobicContact CZ-CD1 4.06Å; F196-Y373 AromaticContact CZ-CD2 3.64Å; F196-Y373 HydrophobicContact CZ-CD2 3.64Å; F196-Y373 HydrophobicContact CZ-CE1 4.16Å; F196-Y373 AromaticContact CZ-CE2 3.75Å; F196-Y373 HydrophobicContact CZ-CE2 3.75Å; F196-Y373 AromaticContact CZ-CG 3.81Å; F196-Y373 HydrophobicContact CZ-CG 3.81Å; S371-Y373 PolarHBondContact O-N 2.84Å; S371-Y373 PolarHBondContact OG-N 3.47Å; Y373-K386 PolarHBondContact O-N 2.88Å; Y373-Y403 AromaticContact CD1-CD2 3.82Å; Y373-Y403 HydrophobicContact CD1-CD2 3.82Å; Y373-Y403 AromaticContact CD1-CE2 3.36Å; Y373-Y403 HydrophobicContact CD1-CE2 3.36Å; Y373-Y403 HydrophobicContact CE1-CD2 4.27Å; Y373-Y403 AromaticContact CE1-CE2 3.37Å; Y373-Y403 HydrophobicContact CE1-CE2 3.37Å; Y373-Y403 AromaticContact CE1-CZ 3.73Å
374L96.7Very high92Very high4 Ų460.9 Ų60.92%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-120.1152.3173.2-61.3176.8000109.5R99 T100 M179 P360 C369 S371 C383 M384R99-L374 HydrophobicContact CB-CD1 4.37Å; R99-L374 HydrophobicContact CB-CD2 3.99Å; R99-L374 HydrophobicContact CB-CG 3.92Å; R99-L374 HydrophobicContact CG-CD2 4.45Å; T100-L374 HydrophobicContact CG2-CD1 4.06Å; M179-L374 HydrophobicContact SD-CD1 4Å; M179-L374 HydrophobicContact SD-CD2 3.71Å; P360-L374 HydrophobicContact CB-CD1 3.79Å; P360-L374 HydrophobicContact CG-CD1 3.9Å; C369-L374 HydrophobicContact CB-CB 3.58Å; C369-L374 HydrophobicContact CB-CD1 4.16Å; S371-L374 VanDerWaalsContact O-O 3.13Å; S371-L374 PolarHBondContact OG-N 3.16Å; L374-C383 HydrophobicContact CD1-CB 4.39Å; L374-M384 CarbonylContact C-O 3.47Å; L374-M384 VanDerWaalsContact CA-O 3.27Å; L374-M384 WeakPolarHBondContact CA-O 3.43Å
375F94.8Very high92.5Very high4 Ų455.8 Ų55.82%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-126.4154.3168.480.9-78.1000110.6C369 H377 C383 M384 S385 K386 F396 D400 I401C369-F375 VanDerWaalsContact SG-C 3.58Å; C369-F375 PolarHBondContact SG-O 2.79Å; F375-H377 HydrophobicContact CE2-CB 4.07Å; F375-H377 HydrophobicContact CZ-CB 4.44Å; F375-C383 WeakPolarHBondContact O-CA 3.24Å; F375-M384 HydrophobicContact CD1-CB 4.05Å; F375-M384 WeakPolarHBondContact CD1-O 3.3Å; F375-M384 HydrophobicContact CE1-CB 3.52Å; F375-M384 HydrophobicContact CE1-CE 4.31Å; F375-M384 HydrophobicContact CZ-CB 3.96Å; F375-M384 HydrophobicContact CZ-CE 4.05Å; F375-M384 PolarHBondContact N-O 3.08Å; F375-M384 PolarHBondContact O-N 2.16Å; F375-S385 WeakPolarHBondContact CD1-O 3.33Å; F375-S385 VanDerWaalsContact CE1-O 3.32Å; F375-S385 WeakPolarHBondContact CE1-O 3.21Å; F375-K386 HydrophobicContact CB-CG 4.24Å; F375-K386 HydrophobicContact CD1-CG 4.35Å; F375-F396 HydrophobicContact CE2-CD1 4.25Å; F375-F396 AromaticContact CZ-CD1 3.94Å; F375-F396 HydrophobicContact CZ-CD1 3.94Å; F375-F396 HydrophobicContact CZ-CE1 4.05Å; F375-D400 HydrophobicContact CB-CB 4.26Å; F375-D400 WeakPolarHBondContact CB-O 3.42Å; F375-I401 HydrophobicContact CD1-CB 4.31Å; F375-I401 HydrophobicContact CD1-CG1 4.37Å; F375-I401 HydrophobicContact CE1-CB 3.88Å; F375-I401 HydrophobicContact CE1-CD1 4.17Å; F375-I401 HydrophobicContact CE1-CG1 3.67Å; F375-I401 HydrophobicContact CE2-CB 4.19Å; F375-I401 HydrophobicContact CZ-CB 3.81Å; F375-I401 HydrophobicContact CZ-CD1 4.04Å; F375-I401 HydrophobicContact CZ-CG1 3.87Å
376C95.5Very high92.9Very high18 Ų1848.6 Ų48.612%0.12227%0.265CS..EExtended strand (participates in β ladder)trans-84.7116174-173.20000110.3C362 P367 T378C362-C376 HydrophobicContact CB-CB 3.66Å; C362-C376 WeakPolarHBondContact CB-SG 3.47Å; C362-C376 WeakPolarHBondContact SG-CA 3.24Å; C362-C376 WeakPolarHBondContact SG-CB 3.01Å; C362-C376 CovalentContact SG-SG 2.03Å; C362-C376 PolarHBondContact SG-SG 2.32Å; P367-C376 HydrophobicContact CB-CB 4.46Å; P367-C376 WeakPolarHBondContact O-CB 3.24Å; C376-T378 PolarHBondContact O-N 3.4Å
377H93.2Very high93.4Very high27 Ų2743.7 Ų43.713%0.12524%0.242CC..EExtended strand (participates in β ladder)trans-86.186.3166.6-174.5-177.9000108.5F375 A379 K380 S381 R382 M384 F396F375-H377 HydrophobicContact CE2-CB 4.07Å; F375-H377 HydrophobicContact CZ-CB 4.44Å; H377-A379 PolarHBondContact O-N 2.89Å; H377-K380 CarbonylContact O-C 3.31Å; H377-K380 PolarHBondContact O-N 2.96Å; H377-S381 PolarHBondContact O-N 3.19Å; H377-R382 PolarHBondContact N-O 2.66Å; H377-M384 HydrophobicContact CB-CG 4.29Å; H377-M384 HydrophobicContact CB-SD 3.67Å; H377-M384 PolarHBondContact ND1-SD 3.05Å; H377-F396 AromaticContact CE1-CE1 3.54Å; H377-F396 AromaticContact ND1-CE1 3.62Å
378T88.7Confident93.7Very high60 Ų6042 Ų4237%0.36823%0.226SC..G310 helixtrans-46.1-51-179440000113.2D364 P367 C376 K380 S381D364-T378 VanDerWaalsContact OD1-CA 3.3Å; D364-T378 WeakPolarHBondContact OD1-CA 3.41Å; D364-T378 WeakPolarHBondContact OD1-CB 3.48Å; D364-T378 VanDerWaalsContact OD1-O 3.12Å; P367-T378 HydrophobicContact CB-CG2 4.27Å; C376-T378 PolarHBondContact O-N 3.4Å; T378-K380 PolarHBondContact O-N 2.66Å; T378-S381 WeakPolarHBondContact O-CA 3.2Å; T378-S381 PolarHBondContact O-N 2.65Å; T378-S381 PolarHBondContact O-OG 2.96Å
379A88Confident93.8Very high86 Ų8642.9 Ų42.971%0.71123%0.225SC*.G310 helixtrans-59.1-13.2178.200000115.4H377H377-A379 PolarHBondContact O-N 2.89Å
380K87.3Confident93.8Very high121 Ų12145.2 Ų45.253%0.52625%0.251SS..G310 helixtrans-120.56170.2-67.9-171.6176.5-174.70113.6H377 T378 R382H377-K380 CarbonylContact O-C 3.31Å; H377-K380 PolarHBondContact O-N 2.96Å; T378-K380 PolarHBondContact O-N 2.66Å; K380-R382 VanDerWaalsContact C-N 3.27Å; K380-R382 HydrophobicContact CB-CG 3.93Å; K380-R382 PolarHBondContact O-N 2.95Å
381S91.1Very high93.9Very high57 Ų5735.8 Ų35.840%0.39922%0.216SC..THydrogen-bonded Turntrans38.553.6-175.7-79.60000113.1C362 H377 T378C362-S381 CarbonylContact O-C 3.55Å; C362-S381 VanDerWaalsContact O-O 3.13Å; H377-S381 PolarHBondContact O-N 3.19Å; T378-S381 WeakPolarHBondContact O-CA 3.2Å; T378-S381 PolarHBondContact O-N 2.65Å; T378-S381 PolarHBondContact O-OG 2.96Å
382R92Very high94Very high42 Ų4238.1 Ų38.116%0.15822%0.224CC..EExtended strand (participates in β ladder)trans-151.2152.6-17969.1-176.7-177.2158.78.6112.4S182 S239 C362 H377 K380 M384S182-R382 PolarHBondContact OG-NH1 3.36Å; S182-R382 PolarHBondContact OG-NH2 3.33Å; S239-R382 PolarHBondContact OG-NH1 2.82Å; C362-R382 PolarHBondContact SG-O 3.26Å; H377-R382 PolarHBondContact N-O 2.66Å; K380-R382 VanDerWaalsContact C-N 3.27Å; K380-R382 HydrophobicContact CB-CG 3.93Å; K380-R382 PolarHBondContact O-N 2.95Å; R382-M384 HydrophobicContact CG-CG 4.49Å; R382-M384 PolarHBondContact NH2-SD 2.93Å; R382-M384 VanDerWaalsContact NH2-SD 3.42Å
383C95.7Very high94.1Very high6 Ų634.4 Ų34.44%0.04120%0.2CC..EExtended strand (participates in β ladder)trans-74.1138.1171.8-66.20000111.4M179 P360 T361 C369 L374 F375M179-C383 HydrophobicContact CE-CB 4.19Å; M179-C383 HydrophobicContact SD-CB 4.38Å; P360-C383 HydrophobicContact CB-CB 4.18Å; T361-C383 VanDerWaalsContact C-SG 3.54Å; C369-C383 VanDerWaalsContact CA-SG 3.52Å; C369-C383 HydrophobicContact CB-CB 3.89Å; C369-C383 WeakPolarHBondContact CB-SG 3.31Å; C369-C383 WeakPolarHBondContact SG-CA 3.16Å; C369-C383 WeakPolarHBondContact SG-CB 3.16Å; C369-C383 CovalentContact SG-SG 2.03Å; C369-C383 PolarHBondContact SG-SG 3.28Å; L374-C383 HydrophobicContact CD1-CB 4.39Å; F375-C383 WeakPolarHBondContact O-CA 3.24Å
384M96.3Very high94Very high0 Ų035.9 Ų35.90%022%0.217CC..EExtended strand (participates in β ladder)trans-130153.3174.6-76.3179.245.300109.6S182 L183 L374 F375 H377 R382 F396S182-M384 VanDerWaalsContact O-CE 3.24Å; S182-M384 WeakPolarHBondContact O-CE 3.31Å; L183-M384 HydrophobicContact CD2-CE 4.37Å; L374-M384 CarbonylContact C-O 3.47Å; L374-M384 VanDerWaalsContact CA-O 3.27Å; L374-M384 WeakPolarHBondContact CA-O 3.43Å; F375-M384 HydrophobicContact CD1-CB 4.05Å; F375-M384 WeakPolarHBondContact CD1-O 3.3Å; F375-M384 HydrophobicContact CE1-CB 3.52Å; F375-M384 HydrophobicContact CE1-CE 4.31Å; F375-M384 HydrophobicContact CZ-CB 3.96Å; F375-M384 HydrophobicContact CZ-CE 4.05Å; F375-M384 PolarHBondContact N-O 3.08Å; F375-M384 PolarHBondContact O-N 2.16Å; H377-M384 HydrophobicContact CB-CG 4.29Å; H377-M384 HydrophobicContact CB-SD 3.67Å; H377-M384 PolarHBondContact ND1-SD 3.05Å; R382-M384 HydrophobicContact CG-CG 4.49Å; R382-M384 PolarHBondContact NH2-SD 2.93Å; R382-M384 VanDerWaalsContact NH2-SD 3.42Å; M384-F396 HydrophobicContact CE-CE1 3.89Å; M384-F396 HydrophobicContact CE-CZ 3.82Å
385S97.2Very high93.8Very high0 Ų038.7 Ų38.70%025%0.247CC..EExtended strand (participates in β ladder)trans-59141.6175.3-157.80000110.2R99 M179 D180 L183 F375R99-S385 VanDerWaalsContact NH1-CB 3.26Å; R99-S385 PolarHBondContact NH1-OG 3.17Å; M179-S385 WeakPolarHBondContact O-CB 3.49Å; M179-S385 PolarHBondContact O-N 3.34Å; D180-S385 WeakPolarHBondContact OD1-CB 3.49Å; D180-S385 PolarHBondContact OD1-OG 3.25Å; L183-S385 WeakPolarHBondContact CD2-O 3.18Å; F375-S385 WeakPolarHBondContact CD1-O 3.33Å; F375-S385 VanDerWaalsContact CE1-O 3.32Å; F375-S385 WeakPolarHBondContact CE1-O 3.21Å
386K97.5Very high93.8Very high17 Ų1739.9 Ų39.97%0.07425%0.253CS..PPolyproline II helixtrans-74157.2162.8-69.1-156.6-175.8-165.90111G189 I190 P372 Y373 F375 D400 I401 Y403G189-K386 CarbonylContact C-O 3.45Å; G189-K386 WeakPolarHBondContact CA-O 3.37Å; I190-K386 WeakPolarHBondContact CB-O 3.47Å; I190-K386 PolarHBondContact N-O 3.08Å; P372-K386 WeakPolarHBondContact O-CD 3.21Å; P372-K386 WeakPolarHBondContact O-CE 3.42Å; Y373-K386 PolarHBondContact O-N 2.88Å; F375-K386 HydrophobicContact CB-CG 4.24Å; F375-K386 HydrophobicContact CD1-CG 4.35Å; K386-D400 WeakPolarHBondContact CD-O 3.41Å; K386-D400 WeakPolarHBondContact CE-O 3.44Å; K386-D400 VanDerWaalsContact CE-OD2 3.31Å; K386-D400 WeakPolarHBondContact CE-OD2 3.48Å; K386-D400 PolarHBondContact NZ-O 3.46Å; K386-D400 IonicContact NZ-OD1 3.54Å; K386-D400 PolarHBondContact NZ-OD1 3.29Å; K386-D400 IonicContact NZ-OD2 3.8Å; K386-D400 PolarHBondContact NZ-OD2 3.16Å; K386-I401 CarbonylContact C-O 3.56Å; K386-I401 WeakPolarHBondContact CA-O 3.45Å; K386-I401 WeakPolarHBondContact CB-O 3.39Å; K386-Y403 HydrophobicContact CD-CD2 4.46Å
387V97.7Very high93.6Very high0 Ų043.2 Ų43.20%027%0.266CS..BIsolated β-bridgetrans-99.5138.5179.1174.70000109.8L183 D188 I401 Y403 C412L183-V387 HydrophobicContact CD1-CG2 3.99Å; L183-V387 HydrophobicContact CD2-CG2 3.48Å; L183-V387 VanDerWaalsContact CD2-CG2 3.48Å; L183-V387 HydrophobicContact CG-CG2 4.26Å; D188-V387 HydrophobicContact CB-CG1 3.98Å; D188-V387 WeakPolarHBondContact O-CA 3.49Å; V387-I401 HydrophobicContact CB-CG1 4.28Å; V387-I401 HydrophobicContact CG2-CD1 3.93Å; V387-I401 HydrophobicContact CG2-CG1 3.67Å; V387-I401 PolarHBondContact N-O 3.11Å; V387-Y403 PolarHBondContact O-N 2.77Å; V387-C412 HydrophobicContact CG1-CB 4.4Å; V387-C412 VanDerWaalsContact CG1-SG 3.58Å
388K94.9Very high93.4Very high45 Ų4549.9 Ų49.920%0.19630%0.303CS..PPolyproline II helixtrans-70154.4176.574.2-157.2-176.2-165.50111.7S187 D188 T193 G391S187-K388 PolarHBondContact O-NZ 2.81Å; D188-K388 WeakPolarHBondContact O-CG 3.3Å; D188-K388 PolarHBondContact O-N 2.92Å; D188-K388 IonicContact OD1-NZ 2.64Å; T193-K388 HydrophobicContact CG2-CB 3.55Å; T193-K388 HydrophobicContact CG2-CD 3.98Å; T193-K388 HydrophobicContact CG2-CG 4.36Å; K388-G391 WeakPolarHBondContact O-CA 3.48Å; K388-G391 PolarHBondContact O-N 3.4Å
389L94.3Very high93.6Very high86 Ų8649.3 Ų49.345%0.4530%0.299SS..THydrogen-bonded Turntrans-54141.2173.1-61.8-176.6000111.6G391 Y403 C412L389-G391 PolarHBondContact O-N 3.27Å; L389-Y403 WeakPolarHBondContact CD2-O 3.4Å; L389-C412 HydrophobicContact CD2-CB 4.46Å
390G92.7Very high93.8Very high57 Ų5749.9 Ų49.959%0.58829%0.29SS*.THydrogen-bonded Turntrans77.1-15.1-170.400000115.1C412G390-C412 PolarHBondContact N-O 2.81Å
391G94.4Very high94.2Very high2 Ų244.1 Ų44.12%0.02127%0.265CS..SBendtrans-74.1160.5178.600000113.9D188 K388 L389 K411 C412D188-G391 WeakPolarHBondContact OD2-CA 3.28Å; K388-G391 WeakPolarHBondContact O-CA 3.48Å; K388-G391 PolarHBondContact O-N 3.4Å; L389-G391 PolarHBondContact O-N 3.27Å; G391-K411 CarbonylContact O-C 3.51Å; G391-K411 VanDerWaalsContact O-CA 3.3Å; G391-K411 WeakPolarHBondContact O-CA 3.46Å; G391-C412 PolarHBondContact O-N 3.37Å
392K96.2Very high94.4Very high66 Ų6641.5 Ų41.529%0.28725%0.247SC..BIsolated β-bridgetrans-80.1132.7-176.3-58.6-179.9-154.2154.30113.4P184 A185 D188 G410 K480P184-K392 HydrophobicContact CB-CB 4.16Å; A185-K392 HydrophobicContact CB-CB 4.33Å; A185-K392 HydrophobicContact CB-CD 4.08Å; A185-K392 HydrophobicContact CB-CG 4.46Å; D188-K392 PolarHBondContact OD2-N 3.32Å; K392-G410 WeakPolarHBondContact CA-O 3.14Å; K392-K480 WeakPolarHBondContact CE-O 3.44Å; K392-K480 PolarHBondContact NZ-O 2.81Å
393C96.4Very high94.5Very high0 Ų041.7 Ų41.70%025%0.248CC..  trans-130.79.2176.562.50000113.2G395 F396 I401 C407 G410 K411C393-G395 PolarHBondContact O-N 3.08Å; C393-F396 WeakPolarHBondContact O-CA 3.34Å; C393-F396 VanDerWaalsContact O-CB 3.31Å; C393-F396 WeakPolarHBondContact O-CB 3.45Å; C393-F396 PolarHBondContact O-N 2.97Å; C393-I401 HydrophobicContact CB-CD1 4.36Å; C393-I401 HydrophobicContact CB-CG2 3.78Å; C393-C407 VanDerWaalsContact C-SG 3.54Å; C393-C407 HydrophobicContact CB-CB 3.79Å; C393-C407 WeakPolarHBondContact CB-SG 3.18Å; C393-C407 PolarHBondContact O-SG 2.79Å; C393-C407 WeakPolarHBondContact SG-CA 3.28Å; C393-C407 WeakPolarHBondContact SG-CB 3.22Å; C393-C407 CovalentContact SG-SG 2.02Å; C393-C407 PolarHBondContact SG-SG 2.78Å; C393-G410 PolarHBondContact N-O 2.74Å; C393-K411 VanDerWaalsContact SG-CA 3.53Å; C393-K411 PolarHBondContact SG-N 3.08Å; C393-K411 VanDerWaalsContact SG-N 3.36Å; C393-K411 PolarHBondContact SG-O 2.97Å
394A94.2Very high94.3Very high56 Ų5647.8 Ų47.846%0.46328%0.276SS..THydrogen-bonded Turntrans-50.5129.7179.800000112.8P184 E397 G410P184-A394 WeakPolarHBondContact CG-O 3.46Å; A394-E397 VanDerWaalsContact CA-OE1 3.29Å; A394-E397 WeakPolarHBondContact CA-OE1 3.3Å; A394-G410 PolarHBondContact N-O 2.86Å
395G92.5Very high94.2Very high63 Ų6348.3 Ų48.365%0.64928%0.281SS*.THydrogen-bonded Turntrans86.63.9-173.100000115C393 E397C393-G395 PolarHBondContact O-N 3.08Å; G395-E397 WeakPolarHBondContact CA-OE2 3.43Å; G395-E397 VanDerWaalsContact N-CD 3.32Å; G395-E397 PolarHBondContact N-OE1 3.32Å; G395-E397 PolarHBondContact N-OE2 2.91Å
396F93.5Very high94Very high29 Ų2953.9 Ų53.913%0.12731%0.307CS..  trans-128.921.5178.5-70.2-94.4000112.3P184 F375 H377 M384 C393 N398 T399 I401P184-F396 HydrophobicContact CG-CD2 3.68Å; P184-F396 HydrophobicContact CG-CE2 3.8Å; F375-F396 HydrophobicContact CE2-CD1 4.25Å; F375-F396 AromaticContact CZ-CD1 3.94Å; F375-F396 HydrophobicContact CZ-CD1 3.94Å; F375-F396 HydrophobicContact CZ-CE1 4.05Å; H377-F396 AromaticContact CE1-CE1 3.54Å; H377-F396 AromaticContact ND1-CE1 3.62Å; M384-F396 HydrophobicContact CE-CE1 3.89Å; M384-F396 HydrophobicContact CE-CZ 3.82Å; C393-F396 WeakPolarHBondContact O-CA 3.34Å; C393-F396 VanDerWaalsContact O-CB 3.31Å; C393-F396 WeakPolarHBondContact O-CB 3.45Å; C393-F396 PolarHBondContact O-N 2.97Å; F396-N398 PolarHBondContact O-N 2.67Å; F396-N398 VanDerWaalsContact O-N 3.16Å; F396-T399 WeakPolarHBondContact CB-OG1 3.21Å; F396-T399 HydrophobicContact CD1-CG2 4.44Å; F396-T399 PolarHBondContact O-N 3.05Å; F396-T399 PolarHBondContact O-OG1 2.92Å; F396-I401 HydrophobicContact CB-CB 4.12Å; F396-I401 HydrophobicContact CB-CD1 3.58Å; F396-I401 HydrophobicContact CB-CG1 4.44Å; F396-I401 HydrophobicContact CB-CG2 3.76Å; F396-I401 HydrophobicContact CD1-CD1 3.91Å; F396-I401 HydrophobicContact CD2-CD1 3.81Å; F396-I401 HydrophobicContact CE2-CD1 4.44Å; F396-I401 HydrophobicContact CG-CD1 3.51Å
397E91.2Very high93.9Very high87 Ų8753.6 Ų53.641%0.40731%0.307SS..THydrogen-bonded Turntrans-52.2-40.9-173-69.372.7-163.300112.9A394 G395 T399A394-E397 VanDerWaalsContact CA-OE1 3.29Å; A394-E397 WeakPolarHBondContact CA-OE1 3.3Å; G395-E397 WeakPolarHBondContact CA-OE2 3.43Å; G395-E397 VanDerWaalsContact N-CD 3.32Å; G395-E397 PolarHBondContact N-OE1 3.32Å; G395-E397 PolarHBondContact N-OE2 2.91Å; E397-T399 VanDerWaalsContact C-N 3.32Å; E397-T399 PolarHBondContact O-N 3.19Å
398N89.6Confident93.7Very high167 Ų16757.8 Ų57.889%0.89333%0.329SS*.THydrogen-bonded Turntrans-92.628.8-178.3-60.8-40.6000113.4F396F396-N398 PolarHBondContact O-N 2.67Å; F396-N398 VanDerWaalsContact O-N 3.16Å
399T92.3Very high93.6Very high48 Ų4864.7 Ų64.729%0.29436%0.362SS..SBendtrans-133.6158.3-178.1740000112.4F396 E397 I401F396-T399 WeakPolarHBondContact CB-OG1 3.21Å; F396-T399 HydrophobicContact CD1-CG2 4.44Å; F396-T399 PolarHBondContact O-N 3.05Å; F396-T399 PolarHBondContact O-OG1 2.92Å; E397-T399 VanDerWaalsContact C-N 3.32Å; E397-T399 PolarHBondContact O-N 3.19Å; T399-I401 PolarHBondContact O-N 2.87Å; T399-I401 WeakPolarHBondContact OG1-CB 3.41Å
400D92.4Very high93.5Very high98 Ų9861.2 Ų61.252%0.52435%0.347SS..THydrogen-bonded Turntrans-75.535.1176.1-173.130.4000112.9F375 K386 C402F375-D400 HydrophobicContact CB-CB 4.26Å; F375-D400 WeakPolarHBondContact CB-O 3.42Å; K386-D400 WeakPolarHBondContact CD-O 3.41Å; K386-D400 WeakPolarHBondContact CE-O 3.44Å; K386-D400 VanDerWaalsContact CE-OD2 3.31Å; K386-D400 WeakPolarHBondContact CE-OD2 3.48Å; K386-D400 PolarHBondContact NZ-O 3.46Å; K386-D400 IonicContact NZ-OD1 3.54Å; K386-D400 PolarHBondContact NZ-OD1 3.29Å; K386-D400 IonicContact NZ-OD2 3.8Å; K386-D400 PolarHBondContact NZ-OD2 3.16Å; D400-C402 VanDerWaalsContact C-N 3.3Å; D400-C402 PolarHBondContact O-N 2.7Å
401I95.6Very high93.7Very high0 Ų060.9 Ų60.90%033%0.33CS..THydrogen-bonded Turntrans-66.4-29.2-177.8-175.9163.9000112.7L183 F375 K386 V387 C393 F396 T399 C407L183-I401 HydrophobicContact CD2-CD1 4Å; L183-I401 HydrophobicContact CD2-CG1 4.34Å; F375-I401 HydrophobicContact CD1-CB 4.31Å; F375-I401 HydrophobicContact CD1-CG1 4.37Å; F375-I401 HydrophobicContact CE1-CB 3.88Å; F375-I401 HydrophobicContact CE1-CD1 4.17Å; F375-I401 HydrophobicContact CE1-CG1 3.67Å; F375-I401 HydrophobicContact CE2-CB 4.19Å; F375-I401 HydrophobicContact CZ-CB 3.81Å; F375-I401 HydrophobicContact CZ-CD1 4.04Å; F375-I401 HydrophobicContact CZ-CG1 3.87Å; K386-I401 CarbonylContact C-O 3.56Å; K386-I401 WeakPolarHBondContact CA-O 3.45Å; K386-I401 WeakPolarHBondContact CB-O 3.39Å; V387-I401 HydrophobicContact CB-CG1 4.28Å; V387-I401 HydrophobicContact CG2-CD1 3.93Å; V387-I401 HydrophobicContact CG2-CG1 3.67Å; V387-I401 PolarHBondContact N-O 3.11Å; C393-I401 HydrophobicContact CB-CD1 4.36Å; C393-I401 HydrophobicContact CB-CG2 3.78Å; F396-I401 HydrophobicContact CB-CB 4.12Å; F396-I401 HydrophobicContact CB-CD1 3.58Å; F396-I401 HydrophobicContact CB-CG1 4.44Å; F396-I401 HydrophobicContact CB-CG2 3.76Å; F396-I401 HydrophobicContact CD1-CD1 3.91Å; F396-I401 HydrophobicContact CD2-CD1 3.81Å; F396-I401 HydrophobicContact CE2-CD1 4.44Å; F396-I401 HydrophobicContact CG-CD1 3.51Å; T399-I401 PolarHBondContact O-N 2.87Å; T399-I401 WeakPolarHBondContact OG1-CB 3.41Å; I401-C407 HydrophobicContact CG2-CB 4.3Å
402C96.3Very high93.7Very high3 Ų360.9 Ų60.92%0.0233%0.329CS..BIsolated β-bridgetrans-88131.2-174-65.70000111.8D400 G405 C412D400-C402 VanDerWaalsContact C-N 3.3Å; D400-C402 PolarHBondContact O-N 2.7Å; C402-G405 VanDerWaalsContact CB-O 3.25Å; C402-G405 WeakPolarHBondContact CB-O 3.38Å; C402-C412 WeakPolarHBondContact CA-SG 3.48Å; C402-C412 HydrophobicContact CB-CB 3.65Å; C402-C412 WeakPolarHBondContact CB-SG 3.28Å; C402-C412 WeakPolarHBondContact SG-CA 3.31Å; C402-C412 WeakPolarHBondContact SG-CB 3.44Å; C402-C412 CovalentContact SG-SG 2.03Å; C402-C412 PolarHBondContact SG-SG 2.82Å
403Y94.7Very high93.6Very high45 Ų4561.3 Ų61.318%0.17633%0.332CS..THydrogen-bonded Turntrans-79.5124.3171.4-177.5-93.3000109.7I190 Y373 K386 V387 L389 G405I190-Y403 HydrophobicContact CD1-CD1 3.6Å; I190-Y403 HydrophobicContact CD1-CD2 4.13Å; I190-Y403 HydrophobicContact CD1-CE1 4.21Å; I190-Y403 HydrophobicContact CD1-CG 3.56Å; I190-Y403 HydrophobicContact CG1-CD2 4.19Å; I190-Y403 HydrophobicContact CG1-CG 4.07Å; Y373-Y403 AromaticContact CD1-CD2 3.82Å; Y373-Y403 HydrophobicContact CD1-CD2 3.82Å; Y373-Y403 AromaticContact CD1-CE2 3.36Å; Y373-Y403 HydrophobicContact CD1-CE2 3.36Å; Y373-Y403 HydrophobicContact CE1-CD2 4.27Å; Y373-Y403 AromaticContact CE1-CE2 3.37Å; Y373-Y403 HydrophobicContact CE1-CE2 3.37Å; Y373-Y403 AromaticContact CE1-CZ 3.73Å; K386-Y403 HydrophobicContact CD-CD2 4.46Å; V387-Y403 PolarHBondContact O-N 2.77Å; L389-Y403 WeakPolarHBondContact CD2-O 3.4Å; Y403-G405 PolarHBondContact O-N 3.28Å
404E91.2Very high93.1Very high134 Ų13462.8 Ų62.863%0.62635%0.347SS*.THydrogen-bonded Turntrans53.135.5-179.3-69.3172.5-171.600114.3
405G92.8Very high91.8Very high11 Ų1166.3 Ų66.311%0.11336%0.358CS..SBendtrans-173.4-171.9179.400000114C402 Y403 Q413C402-G405 VanDerWaalsContact CB-O 3.25Å; C402-G405 WeakPolarHBondContact CB-O 3.38Å; Y403-G405 PolarHBondContact O-N 3.28Å; G405-Q413 CarbonylContact C-O 3.26Å; G405-Q413 WeakPolarHBondContact CA-O 3.37Å
406H94.4Very high89.3Confident118 Ų11867.6 Ų67.655%0.54636%0.363SS..EExtended strand (participates in β ladder)trans-122.2155.8-179.2-64.5-74.3000111.4L408 C412 Q413 N415H406-L408 HydrophobicContact CB-CG 4.44Å; H406-L408 PolarHBondContact O-N 3.29Å; H406-C412 WeakPolarHBondContact O-CA 3.42Å; H406-Q413 PolarHBondContact N-O 2.93Å; H406-Q413 PolarHBondContact O-N 3.39Å; H406-N415 PolarHBondContact CD2-OD1 3.28Å
407C95.4Very high86.4Confident11 Ų1174.8 Ų74.87%0.07440%0.397CS..EExtended strand (participates in β ladder)trans-85.5102.5178.1-175.60000110.5C393 I401C393-C407 VanDerWaalsContact C-SG 3.54Å; C393-C407 HydrophobicContact CB-CB 3.79Å; C393-C407 WeakPolarHBondContact CB-SG 3.18Å; C393-C407 PolarHBondContact O-SG 2.79Å; C393-C407 WeakPolarHBondContact SG-CA 3.28Å; C393-C407 WeakPolarHBondContact SG-CB 3.22Å; C393-C407 CovalentContact SG-SG 2.02Å; C393-C407 PolarHBondContact SG-SG 2.78Å; I401-C407 HydrophobicContact CG2-CB 4.3Å
408L93.7Very high83.5Confident88 Ų8876.4 Ų76.446%0.46142%0.415SS..EExtended strand (participates in β ladder)trans-123.2130-178-62178000109.4H406 G410 K411 Q413H406-L408 HydrophobicContact CB-CG 4.44Å; H406-L408 PolarHBondContact O-N 3.29Å; L408-G410 PolarHBondContact O-N 2.89Å; L408-K411 PolarHBondContact N-O 3.06Å; L408-K411 PolarHBondContact O-N 3.08Å; L408-Q413 HydrophobicContact CB-CB 4.48Å; L408-Q413 HydrophobicContact CB-CG 4.08Å; L408-Q413 HydrophobicContact CD1-CB 4.34Å; L408-Q413 PolarHBondContact O-NE2 3.1Å
409E91Very high80.6Confident190 Ų19075.6 Ų75.689%0.88841%0.409SS*.THydrogen-bonded Turntrans53.534.2-176.2-54.1-175.1160.200113.3K411E409-K411 VanDerWaalsContact C-N 3.26Å; E409-K411 PolarHBondContact O-N 3.07Å
410G93.3Very high77.6Confident13 Ų1378.5 Ų78.513%0.13443%0.429CS..THydrogen-bonded Turntrans7310.8-178.400000115.2K392 C393 A394 L408K392-G410 WeakPolarHBondContact CA-O 3.14Å; C393-G410 PolarHBondContact N-O 2.74Å; A394-G410 PolarHBondContact N-O 2.86Å; L408-G410 PolarHBondContact O-N 2.89Å
411K95.8Very high74.6Confident50 Ų5082.3 Ų82.322%0.21744%0.443CS..EExtended strand (participates in β ladder)trans-124.9149.8174.1-68.1179.3-176.1165.40112.4G391 C393 L408 E409 Q413 S482 A483G391-K411 CarbonylContact O-C 3.51Å; G391-K411 VanDerWaalsContact O-CA 3.3Å; G391-K411 WeakPolarHBondContact O-CA 3.46Å; C393-K411 VanDerWaalsContact SG-CA 3.53Å; C393-K411 PolarHBondContact SG-N 3.08Å; C393-K411 VanDerWaalsContact SG-N 3.36Å; C393-K411 PolarHBondContact SG-O 2.97Å; L408-K411 PolarHBondContact N-O 3.06Å; L408-K411 PolarHBondContact O-N 3.08Å; E409-K411 VanDerWaalsContact C-N 3.26Å; E409-K411 PolarHBondContact O-N 3.07Å; K411-Q413 PolarHBondContact O-N 2.83Å; K411-S482 PolarHBondContact NZ-O 3.29Å; K411-A483 PolarHBondContact NZ-O 2.86Å
412C96.1Very high71.3Confident1 Ų189.5 Ų89.51%0.00748%0.481CS..EExtended strand (participates in β ladder)trans-75.2115.7172.2-69.60000110.7V387 L389 G390 G391 C402 H406V387-C412 HydrophobicContact CG1-CB 4.4Å; V387-C412 VanDerWaalsContact CG1-SG 3.58Å; L389-C412 HydrophobicContact CD2-CB 4.46Å; G390-C412 PolarHBondContact N-O 2.81Å; G391-C412 PolarHBondContact O-N 3.37Å; C402-C412 WeakPolarHBondContact CA-SG 3.48Å; C402-C412 HydrophobicContact CB-CB 3.65Å; C402-C412 WeakPolarHBondContact CB-SG 3.28Å; C402-C412 WeakPolarHBondContact SG-CA 3.31Å; C402-C412 WeakPolarHBondContact SG-CB 3.44Å; C402-C412 CovalentContact SG-SG 2.03Å; C402-C412 PolarHBondContact SG-SG 2.82Å; H406-C412 WeakPolarHBondContact O-CA 3.42Å
413Q94.2Very high68Low76 Ų7695.8 Ų95.836%0.35552%0.515SS..EExtended strand (participates in β ladder)trans-116.4137.2179.6-53.3-168.232.200109.2G405 H406 L408 K411G405-Q413 CarbonylContact C-O 3.26Å; G405-Q413 WeakPolarHBondContact CA-O 3.37Å; H406-Q413 PolarHBondContact N-O 2.93Å; H406-Q413 PolarHBondContact O-N 3.39Å; L408-Q413 HydrophobicContact CB-CB 4.48Å; L408-Q413 HydrophobicContact CB-CG 4.08Å; L408-Q413 HydrophobicContact CD1-CB 4.34Å; L408-Q413 PolarHBondContact O-NE2 3.1Å; K411-Q413 PolarHBondContact O-N 2.83Å
414G85.4Confident64.7Low31 Ų3199.7 Ų99.732%0.3254%0.543SS..  trans-72.1171174.700000111.2A416G414-A416 VanDerWaalsContact C-N 3.31Å; G414-A416 PolarHBondContact O-N 3.16Å
415N66Low61.7Low130 Ų130100.3 Ų100.370%0.69555%0.55SS**  trans-69.284.8177.7-66.2-5.4000111.4H406H406-N415 PolarHBondContact CD2-OD1 3.28Å
416A40.5Very low58.6Low90 Ų90105.3 Ų105.374%0.74458%0.581SS**PPolyproline II helixtrans-67.6154.8146.900000108.8G414G414-A416 VanDerWaalsContact C-N 3.31Å; G414-A416 PolarHBondContact O-N 3.16Å
417E33Very low55.3Low179 Ų179105.5 Ų105.584%0.83659%0.593SS**PPolyproline II helixtrans-52.6143.9179.3-69.6176128.700111.5I419E417-I419 PolarHBondContact O-N 2.79Å; E417-I419 VanDerWaalsContact O-N 3.11Å
418P29.7Very low52.3Low122 Ų122112.3 Ų112.379%0.79263%0.628SS**PPolyproline II helixtrans-59.4120.7-175.524.9-34.3000110P420P418-P420 WeakPolarHBondContact O-CD 3.03Å
419I28.3Very low49.2Very low150 Ų150114.9 Ų114.977%0.76964%0.642SS**PPolyproline II helixtrans-61.5117171.6-56.9173.5000106.6E417E417-I419 PolarHBondContact O-N 2.79Å; E417-I419 VanDerWaalsContact O-N 3.11Å
420P30.6Very low46.3Very low108 Ų108111.8 Ų111.870%0.70164%0.636SS**PPolyproline II helixtrans-63.2141.2175.4-18.532.4000109.4P418 L422P418-P420 WeakPolarHBondContact O-CD 3.03Å; P420-L422 PolarHBondContact O-N 2.62Å
421E28.2Very low43.4Very low178 Ų178118.9 Ų118.983%0.83267%0.666SS**  trans-57.4105.4175.4-69.9-177.5147.500110.2N423E421-N423 PolarHBondContact O-N 3.06Å
422L26.1Very low40.2Very low151 Ų151123.7 Ų123.779%0.79169%0.694SS**  trans-74.882.6169.3-83.9164.7000108.7P420 V424P420-L422 PolarHBondContact O-N 2.62Å; L422-V424 PolarHBondContact O-N 3.05Å
423N27.8Very low37.1Very low136 Ų136127.2 Ų127.273%0.72773%0.73SS**  trans-61.8104.6157.6-80.8-41.8000108E421 D425E421-N423 PolarHBondContact O-N 3.06Å; N423-D425 PolarHBondContact O-N 2.75Å
424V26.2Very low34.1Very low126 Ų126131.1 Ų131.176%0.76475%0.753SS**  trans-89.589.1175.2-178.20000108.6L422L422-V424 PolarHBondContact O-N 3.05Å
425D28.4Very low31.6Very low148 Ų148137.9 Ų137.979%0.79178%0.777SS**PPolyproline II helixtrans-87139.6156.5-78.6-47.5000109.4N423N423-D425 PolarHBondContact O-N 2.75Å
426P26.3Very low29.9Very low116 Ų116138.2 Ų138.275%0.75377%0.774SS**PPolyproline II helixtrans-68.9159.3-176-2033.9000113.9
427P26.5Very low29.5Very low122 Ų122141 Ų14179%0.79277%0.769SS**PPolyproline II helixtrans-89.6154.3-155.535.2-36.8000114
428D32.1Very low29.4Very low154 Ų154140.2 Ų140.282%0.82477%0.771SS**  trans-135.5162.7156-124.8-35.4000112.1
429N27.5Very low29.6Very low141 Ų141138 Ų13875%0.75477%0.77SS**  trans-89175.2-149.7-66-89.3000116.2
430V31Very low29.8Very low126 Ų126139 Ų13976%0.76477%0.771SS**  trans110.391.8150.3-169.60000118.2
431E31.1Very low29.9Very low162 Ų162140.6 Ų140.676%0.75777%0.774SS**  53.5125126.3-60.5-163.9159.700125
432N29.3Very low29.9Very low151 Ų151136.5 Ų136.581%0.80777%0.771SS**  trans69.9126.1130-66.5-34.9000122.5
433G32Very low30.3Very low74 Ų74135.8 Ų135.876%0.76377%0.772SS**  trans144.660.2166.600000115
434N30.4Very low30.7Very low158 Ų158134.4 Ų134.485%0.84577%0.771SS**  62.5133.792.8-112.2-7.2000117.6
435Q31.9Very low31Very low173 Ų173133.5 Ų133.581%0.80877%0.77SS**  trans76.5151.1165.9-62178.12.800119.5
436E30.4Very low31.4Very low137 Ų137135.9 Ų135.964%0.6478%0.776SS**  cis-173.6164.2-37.9-135.1-169.6156.400110.2
437K33.8Very low31.8Very low149 Ų149136.4 Ų136.465%0.64878%0.778SS**  trans79.5105.9150.1-74.1162.1176.3138.80123.6
438N30.8Very low32.1Very low163 Ų163137.4 Ų137.487%0.87278%0.776SS**  74.1138.9111-65.9-3000124.9
439G32.6Very low32.2Very low74 Ų74135.5 Ų135.576%0.76377%0.774SS**  trans130.584.7160.900000112.6
440Q32.2Very low32.3Very low172 Ų172134.4 Ų134.480%0.80478%0.777SS**  cis85.5124.842.2-135.1-168.937.900115.2
441N32.3Very low32.5Very low142 Ų142134.7 Ų134.776%0.75978%0.783SS**  trans77.7151.7165.2-48.5-40000118.7
442A29.1Very low32.3Very low92 Ų92134.5 Ų134.576%0.7679%0.788SS**  cis-168.3155.7-2900000109.9
443V34.4Very low32.5Very low136 Ų136133.8 Ų133.882%0.82479%0.793SS**  trans-75.8176.8172.1-126.90000110.5
444P36.9Very low32.3Very low107 Ų107137.4 Ų137.470%0.69580%0.795SS**  cis-154.7168.840.543.8-20.9000121.5
445S32.2Very low32.2Very low107 Ų107135 Ų13575%0.74879%0.789SS**  trans56.3133138.265.90000123.6
446E36.2Very low32Very low197 Ų197133.1 Ų133.192%0.92179%0.79SS**  trans-143.5160.2141.4-143.1164.3-14900111.4
447T35.3Very low31.9Very low128 Ų128130.7 Ų130.779%0.78579%0.793SS**  trans-101.1165-165.947.20000113.5
448D33Very low31.6Very low142 Ų142128.4 Ų128.476%0.75980%0.796SS**  173169.5107-165.930.7000113.9
449C34.1Very low31.6Very low115 Ų115128.7 Ų128.778%0.77780%0.797SS**  trans97.3134.7158-85.20000118.8
450S29.5Very low31.3Very low117 Ų117128.6 Ų128.682%0.81880%0.796SS**  trans-139.9159.2-159.759.30000110.1
451C34.2Very low31.2Very low133 Ų133130.5 Ų130.590%0.89980%0.802SS**  trans-159.9131.6154.1-136.80000112.6
452N27.8Very low30.8Very low158 Ų158133.5 Ų133.585%0.84581%0.808SS**  trans-66.9154.6168.8-86.3-33.6000111.6
453C32.9Very low30.7Very low136 Ų136138.4 Ų138.492%0.91982%0.818SS**  -165.7161.4121.4-106.80000112.5
454D28.1Very low30.4Very low149 Ų149140.9 Ų140.980%0.79782%0.817SS**  trans-94.9162.6-151.7-159.4-1.1000114.6
455C27.8Very low29.8Very low108 Ų108145.2 Ų145.273%0.7382%0.821SS**  trans-119.1121.6174.2-63.60000110.6
456T27.4Very low29.4Very low134 Ų134146.6 Ų146.682%0.82282%0.819SS**  trans-164.3162.6155.713.30000113.7
457A28.8Very low28.9Very low85 Ų85145.4 Ų145.470%0.70281%0.811SS**  trans64102174.200000116
458S27.4Very low28.4Very low102 Ų102144.1 Ų144.171%0.71380%0.803SS**  57.310763.184.40000113.9
459D30.7Very low28.1Very low168 Ų168144.2 Ų144.290%0.89880%0.803SS**  -164.5140.8116.7-96.1-12.6000111.5
460G26.6Very low27.8Very low72 Ų72143.8 Ų143.874%0.74280%0.798SS**  trans-94.3145.3-167.500000114
461K30.1Very low27.7Very low212 Ų212142.8 Ų142.892%0.92279%0.787SS**  trans-145.6125.6148.1-110156.9-170.2171.40111.3
462K24.9Very low27.4Very low206 Ų206138.8 Ų138.890%0.89677%0.768SS**  trans-67.1136.8179.1-60.3166.1179.4172.80109.6
463M26.9Very low27.4Very low194 Ų194134.9 Ų134.996%0.95675%0.75SS**  trans-113.3134.2155.9-91.1-17969.700111
464K27Very low27.1Very low188 Ų188131 Ų13182%0.81772%0.719SS**  trans-97.2137.1-175.9-81.6-179.4173-1800110.2
465Y25.4Very low27.2Very low198 Ų198125.2 Ų125.278%0.77669%0.69SS**  trans56.6111138.8-78-97.6000122.2
466I23.9Very low27.3Very low137 Ų137120.1 Ų120.170%0.70366%0.655SS**  45.7137.3120.5-46.2-178.4000119.9
467K25.1Very low27.5Very low172 Ų172115.3 Ų115.375%0.74862%0.623SS**  trans103.9132.6169.1-62.9-173.5-177.7-179.10111
468T25.6Very low27.5Very low100 Ų100114 Ų11461%0.61361%0.606SS**  cis-163.2151.54.95.60000109.3
469L25.4Very low27.6Very low145 Ų145112 Ų11276%0.75959%0.592SS**  trans-163.1135.1153.2-107.9177.9000112.5
470P28.1Very low27.7Very low106 Ų106109.2 Ų109.269%0.68857%0.572SS**  trans-117154.7179.338.7-29000115.8
471V26.9Very low28Very low96 Ų96110.2 Ų110.258%0.58256%0.56SS**  trans61.4108.4153.3-179.50000119.1
472G28.6Very low27.8Very low49 Ų49105 Ų10551%0.50555%0.551SS.*  trans-155.812.6179.400000119.3
473V28.2Very low27.9Very low76 Ų7698.4 Ų98.446%0.46153%0.534SS..  trans40.6108.9153.5-177.90000119.7K28K28-V473 PolarHBondContact NZ-O 2.87Å
474I26.4Very low27.8Very low54 Ų5496 Ų9628%0.27753%0.531SS..  trans32.9164.7153.5-57.194.8000119.9K28 A675K28-I474 WeakPolarHBondContact CE-O 3.28Å; K28-I474 PolarHBondContact NZ-O 3.1Å; I474-A675 HydrophobicContact CB-CB 4.33Å; I474-A675 HydrophobicContact CG1-CB 4.3Å
475V31Very low27.8Very low28 Ų2891.7 Ų91.717%0.1753%0.531CS..  cis-171.4163.641.8164.90000110.6Y233 G673 A675Y233-V475 HydrophobicContact CD1-CG2 4.36Å; Y233-V475 HydrophobicContact CD2-CB 4.44Å; Y233-V475 HydrophobicContact CD2-CG2 3.87Å; Y233-V475 WeakPolarHBondContact CD2-O 3.45Å; Y233-V475 HydrophobicContact CE1-CG2 3.63Å; Y233-V475 HydrophobicContact CE2-CB 3.65Å; Y233-V475 HydrophobicContact CE2-CG1 3.5Å; Y233-V475 HydrophobicContact CE2-CG2 3.24Å; Y233-V475 HydrophobicContact CG-CG2 4.47Å; Y233-V475 WeakPolarHBondContact OH-CG1 3.22Å; Y233-V475 VanDerWaalsContact OH-CG2 3.27Å; Y233-V475 WeakPolarHBondContact OH-CG2 3.26Å; V475-G673 CarbonylContact C-O 3.58Å; V475-A675 HydrophobicContact CB-CB 4.24Å; V475-A675 HydrophobicContact CG1-CB 3.98Å
476G28.9Very low27.7Very low1 Ų191.9 Ų91.91%0.0154%0.538CS..  trans-63.7-153-167.500000116.7L230 S231 S232 Y233 G673 A675L230-G476 CarbonylContact O-C 3.59Å; S231-G476 CarbonylContact C-O 3.59Å; S231-G476 WeakPolarHBondContact CA-O 3.32Å; S232-G476 VanDerWaalsContact N-C 3.33Å; S232-G476 PolarHBondContact N-O 3.29Å; S232-G476 PolarHBondContact OG-O 3.39Å; Y233-G476 WeakPolarHBondContact CD2-O 3.41Å; Y233-G476 WeakPolarHBondContact CE2-O 3.11Å; G476-G673 PolarHBondContact N-O 2.79Å; G476-A675 PolarHBondContact N-O 3.32Å
477K31.2Very low27.8Very low32 Ų3294.1 Ų94.114%0.13955%0.546CS..  cis-174135.314-158.3-147.7166.4131.70114.4L230 S232 D676L230-K477 WeakPolarHBondContact O-CA 3.42Å; L230-K477 PolarHBondContact O-N 2.83Å; L230-K477 VanDerWaalsContact O-N 3.07Å; S232-K477 VanDerWaalsContact N-N 3.13Å; S232-K477 PolarHBondContact OG-N 3.35Å; K477-D676 HydrophobicContact CD-CB 4.36Å; K477-D676 WeakPolarHBondContact CE-OD1 3.45Å; K477-D676 WeakPolarHBondContact CE-OD2 3.36Å; K477-D676 WeakPolarHBondContact CG-OD1 3.43Å; K477-D676 PolarHBondContact NZ-O 3.48Å; K477-D676 IonicContact NZ-OD1 3.96Å; K477-D676 IonicContact NZ-OD2 3.63Å; K477-D676 PolarHBondContact NZ-OD2 2.81Å
478V29.5Very low27.8Very low59 Ų5995.7 Ų95.736%0.35855%0.553SS.*  trans62.6145.6139.5153.80000121
479S29.9Very low27.8Very low59 Ų5996.5 Ų96.541%0.41356%0.557SS.*  cis176.3159-7.4171.70000110.4K700S479-K700 PolarHBondContact OG-NZ 2.95Å
480K33.1Very low27.8Very low110 Ų11095.9 Ų95.948%0.47856%0.559SS.*  159.1131.5120.6-91.5-171.6145.3-115.30117.5K392K392-K480 WeakPolarHBondContact CE-O 3.44Å; K392-K480 PolarHBondContact NZ-O 2.81Å
481D30.9Very low27.9Very low92 Ų9294.3 Ų94.349%0.49255%0.545SS..  trans82.186136.1-51.1-7000122
482S26.9Very low27.9Very low103 Ų10398 Ų9872%0.7256%0.556SS**  43.4137.412057.60000123.9K411K411-S482 PolarHBondContact NZ-O 3.29Å
483A26.7Very low27.9Very low67 Ų67101.7 Ų101.755%0.55457%0.571SS**  150.7114.1124.300000111.3K411K411-A483 PolarHBondContact NZ-O 2.86Å
484T24.8Very low28.2Very low143 Ų143104 Ų10488%0.87759%0.585SS**  trans32.7108.4148.646.70000121
485A26.6Very low28.9Very low99 Ų99110.6 Ų110.682%0.81861%0.612SS**  trans-149.9143.2144.400000109.4
486Q23.6Very low29.6Very low201 Ų201114 Ų11494%0.93963%0.632SS**  trans-88.8119.3177.2-66.1172.8-22.600109.6
487E26.5Very low30.8Very low185 Ų185116.2 Ų116.286%0.86464%0.644SS**  trans-118.8141.1173.2-77.2-159.7134.800113.9
488K25.1Very low32.2Very low204 Ų204121.5 Ų121.589%0.88767%0.673SS**  trans-78.4124.1-167.9-68.6169.61781690111.5V490K488-V490 PolarHBondContact O-N 2.98Å; K488-V490 VanDerWaalsContact O-N 3.08Å
489V25.4Very low34.2Very low117 Ų117121.4 Ų121.471%0.70967%0.673SS**  trans-70.5101.7172.8-178.10000110.7N491V489-N491 PolarHBondContact O-N 3.28Å; V489-N491 PolarHBondContact O-ND2 3.3Å
490V26Very low36.4Very low133 Ų133123.2 Ų123.281%0.80668%0.675SS**  trans-74.5103.6166.8-178.70000108K488K488-V490 PolarHBondContact O-N 2.98Å; K488-V490 VanDerWaalsContact O-N 3.08Å
491N28.9Very low38.7Very low72 Ų72122.1 Ų122.139%0.38567%0.668SS.*PPolyproline II helixtrans-84.7125.8-179.2-57.3-111.9000110.3V489 R609V489-N491 PolarHBondContact O-N 3.28Å; V489-N491 PolarHBondContact O-ND2 3.3Å; N491-R609 PolarHBondContact ND2-NE 3.33Å; N491-R609 PolarHBondContact O-NH2 3.42Å
492E27.3Very low41.2Very low175 Ų175117.8 Ų117.882%0.81865%0.645SS**PPolyproline II helixtrans-66.3158.7156.2-69.2-177.3163.700110.6V494E492-V494 PolarHBondContact O-N 3.13Å
493P29.5Very low43.9Very low126 Ų126116.1 Ų116.182%0.81862%0.623SS**PPolyproline II helixtrans-66.9126.8-176.3-18.331.9000112.2K495P493-K495 PolarHBondContact O-N 2.97Å
494V34Very low46.6Very low124 Ų124113.1 Ų113.175%0.75260%0.597SS**PPolyproline II helixtrans-62119.5174.91780000109.5E492 T496E492-V494 PolarHBondContact O-N 3.13Å; V494-T496 PolarHBondContact O-N 3.09Å
495K41.9Very low49.2Very low192 Ų192107.3 Ų107.384%0.83556%0.561SS**PPolyproline II helixtrans-54.7125.5172-85.1-175173.9179.40109.9P493 I497P493-K495 PolarHBondContact O-N 2.97Å; K495-I497 PolarHBondContact O-N 3.41Å
496T44.5Very low51.7Low99 Ų99102.6 Ų102.661%0.60752%0.522SS*.PPolyproline II helixtrans-58.2123.5179.735.20000111.4V494 D498V494-T496 PolarHBondContact O-N 3.09Å; T496-D498 PolarHBondContact O-N 3.48Å
497I54.8Low54.3Low49 Ų4993.1 Ų93.125%0.25148%0.478SS..  trans-80.6114.9173.3-59.4173.6000108.2K495 V502 R561K495-I497 PolarHBondContact O-N 3.41Å; I497-V502 HydrophobicContact CG2-CG1 4.44Å; I497-R561 PolarHBondContact O-NH1 3.28Å
498D59.6Low56.6Low142 Ų14284.4 Ų84.476%0.75944%0.437SS*.  trans-111.832.8-168.8-121.921.9000113T496T496-D498 PolarHBondContact O-N 3.48Å
499T71.6Confident58.8Low58 Ų5878.2 Ų78.236%0.35641%0.413SS..  trans-115.9137.5179.7570000111.3W501 N559 F562 S619T499-W501 WeakPolarHBondContact CB-O 3.3Å; T499-W501 PolarHBondContact O-N 3.47Å; T499-W501 PolarHBondContact OG1-O 2.97Å; T499-N559 WeakPolarHBondContact O-CB 3.29Å; T499-N559 PolarHBondContact O-ND2 2.78Å; T499-F562 WeakPolarHBondContact O-CE2 3.39Å; T499-S619 WeakPolarHBondContact OG1-CB 3.31Å
500E76.7Confident60.8Low96 Ų9674.3 Ų74.345%0.44939%0.388SS..SBendtrans-58.6-28.1175.4-176.8-176.6-152.300112.6N559 F562E500-N559 WeakPolarHBondContact O-CB 3.45Å; E500-N559 PolarHBondContact O-N 2.64Å; E500-F562 HydrophobicContact CG-CD1 4.49Å
501W80.7Confident62.6Low88 Ų8871.7 Ų71.733%0.33336%0.364SS..EExtended strand (participates in β ladder)trans-116.9149.6-176.2-59.388.4000112.2T499 Y531 Q556T499-W501 WeakPolarHBondContact CB-O 3.3Å; T499-W501 PolarHBondContact O-N 3.47Å; T499-W501 PolarHBondContact OG1-O 2.97Å; W501-Y531 HydrophobicContact CH2-CG 4.39Å; W501-Y531 HydrophobicContact CZ3-CD2 4.25Å; W501-Y531 HydrophobicContact CZ3-CG 4.22Å; W501-Q556 HydrophobicContact CB-CG 3.97Å; W501-Q556 HydrophobicContact CD2-CG 4.41Å; W501-Q556 HydrophobicContact CE3-CG 4Å; W501-Q556 HydrophobicContact CG-CG 4.43Å
502V83.2Confident63.8Low0 Ų070.1 Ų70.10%036%0.355CS..EExtended strand (participates in β ladder)trans-134.8162.9172.2-66.80000110.4I497 Q556 V557 N559 L603 Y617I497-V502 HydrophobicContact CG2-CG1 4.44Å; V502-Q556 WeakPolarHBondContact O-CA 3.04Å; V502-V557 HydrophobicContact CG2-CG2 3.84Å; V502-V557 PolarHBondContact N-O 3.14Å; V502-V557 PolarHBondContact O-N 3.06Å; V502-N559 HydrophobicContact CG1-CB 3.94Å; V502-N559 HydrophobicContact CG2-CB 4.44Å; V502-L603 HydrophobicContact CG2-CD1 4.49Å; V502-Y617 HydrophobicContact CB-CD2 3.87Å; V502-Y617 HydrophobicContact CB-CG 4.45Å; V502-Y617 HydrophobicContact CG1-CD2 3.79Å; V502-Y617 HydrophobicContact CG1-CE2 4.26Å; V502-Y617 HydrophobicContact CG2-CD2 3.77Å; V502-Y617 HydrophobicContact CG2-CG 4.06Å
503W83.9Confident65Low68 Ų6867.9 Ų67.926%0.25835%0.353SS..EExtended strand (participates in β ladder)trans-105.4142.6177.8-62.190.9000110.9P554 V555 Q556 Y617 A618 V621 L624W503-P554 HydrophobicContact CE3-CB 3.92Å; W503-P554 HydrophobicContact CZ3-CB 4.32Å; W503-V555 WeakPolarHBondContact CA-O 3.38Å; W503-Q556 HydrophobicContact CD2-CB 4.44Å; W503-Q556 HydrophobicContact CE3-CB 4.03Å; W503-Q556 HydrophobicContact CH2-CB 4.14Å; W503-Q556 HydrophobicContact CH2-CG 4.46Å; W503-Q556 HydrophobicContact CZ2-CG 4.38Å; W503-Q556 HydrophobicContact CZ3-CB 3.88Å; W503-Y617 WeakPolarHBondContact O-CA 3.3Å; W503-Y617 WeakPolarHBondContact O-CB 3.36Å; W503-A618 PolarHBondContact N-O 3.39Å; W503-A618 PolarHBondContact O-N 2.56Å; W503-A618 VanDerWaalsContact O-N 3.15Å; W503-V621 HydrophobicContact CB-CG2 4.16Å; W503-V621 HydrophobicContact CD2-CG2 3.6Å; W503-V621 HydrophobicContact CE3-CG2 4Å; W503-V621 HydrophobicContact CG-CG2 3.66Å; W503-L624 HydrophobicContact CB-CD2 3.91Å; W503-L624 WeakPolarHBondContact O-CD2 3.48Å
504I83.6Confident65.6Low4 Ų464.6 Ų64.62%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-123.2166.1165.861.3173.7000109.3P554 V555 V557 I571 I601 L603I504-P554 CarbonylContact O-C 3.52Å; I504-P554 WeakPolarHBondContact O-CA 3.48Å; I504-V555 HydrophobicContact CD1-CB 4.36Å; I504-V555 HydrophobicContact CD1-CG1 4.24Å; I504-V555 HydrophobicContact CG1-CB 3.87Å; I504-V555 HydrophobicContact CG1-CG1 4.16Å; I504-V555 WeakPolarHBondContact CG1-O 3.5Å; I504-V555 PolarHBondContact N-O 3.3Å; I504-V555 PolarHBondContact O-N 2.69Å; I504-V557 HydrophobicContact CD1-CG1 3.87Å; I504-V557 HydrophobicContact CG1-CG1 4.23Å; I504-V557 HydrophobicContact CG1-CG2 4.48Å; I504-V557 HydrophobicContact CG2-CG2 4.02Å; I504-I571 HydrophobicContact CD1-CD1 3.73Å; I504-I601 HydrophobicContact CD1-CD1 3.75Å; I504-L603 HydrophobicContact CG2-CD1 3.96Å; I504-L603 HydrophobicContact CG2-CD2 4.29Å
505I79.7Confident65.9Low21 Ų2164.2 Ų64.211%0.10833%0.333CS..EExtended strand (participates in β ladder)trans-110.6134.6173.2-74.6147.8000109.7L548 L624 E628I505-L548 HydrophobicContact CD1-CD1 4.42Å; I505-L548 HydrophobicContact CD1-CD2 3.5Å; I505-L548 HydrophobicContact CG1-CD2 4.27Å; I505-L548 HydrophobicContact CG2-CD2 4.46Å; I505-L624 HydrophobicContact CD1-CD2 3.64Å; I505-L624 HydrophobicContact CD1-CG 3.66Å; I505-L624 HydrophobicContact CG1-CD2 3.64Å; I505-L624 HydrophobicContact CG1-CG 4.22Å; I505-E628 HydrophobicContact CD1-CG 3.82Å
506V79.7Confident65.9Low0 Ų063.6 Ų63.60%033%0.333CS..EExtended strand (participates in β ladder)trans-115.3127.3170.2-178.40000108.1I524 S552 V553 V555 I571 L636 F638V506-I524 HydrophobicContact CB-CD1 4.1Å; V506-I524 HydrophobicContact CG1-CD1 3.91Å; V506-I524 HydrophobicContact CG1-CG2 4.47Å; V506-S552 CarbonylContact O-C 3.49Å; V506-S552 WeakPolarHBondContact O-CA 3.41Å; V506-V553 PolarHBondContact N-O 3.35Å; V506-V553 PolarHBondContact O-N 2.84Å; V506-V555 HydrophobicContact CB-CG2 4.33Å; V506-V555 HydrophobicContact CG2-CB 4.25Å; V506-V555 HydrophobicContact CG2-CG2 3.71Å; V506-I571 HydrophobicContact CG1-CG2 4.25Å; V506-I571 HydrophobicContact CG2-CD1 3.77Å; V506-I571 HydrophobicContact CG2-CG2 4.11Å; V506-L636 HydrophobicContact CG1-CD2 4.5Å; V506-F638 HydrophobicContact CG1-CD2 3.57Å; V506-F638 HydrophobicContact CG1-CE2 3.59Å
507N77.7Confident65.8Low3 Ų363 Ų632%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-98.6134.8-178.7-62.8-65.2000110.3L549 S552 L636 I637 F638N507-L549 HydrophobicContact CB-CD1 4.03Å; N507-S552 PolarHBondContact OD1-OG 3.19Å; N507-L636 PolarHBondContact N-O 3.46Å; N507-I637 HydrophobicContact CB-CG1 4.19Å; N507-I637 CarbonylContact O-C 3.45Å; N507-I637 WeakPolarHBondContact O-CA 3.38Å; N507-F638 PolarHBondContact O-N 2.93Å
508V74.1Confident65.5Low2 Ų268.4 Ų68.41%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-129.6130.1178.6-164.50000111V522 I524 L539 P550 G551 F638 C640V508-V522 HydrophobicContact CG1-CB 4.45Å; V508-V522 HydrophobicContact CG1-CG1 4.1Å; V508-V522 HydrophobicContact CG1-CG2 4.06Å; V508-V522 HydrophobicContact CG2-CG1 4.28Å; V508-I524 HydrophobicContact CG2-CD1 3.74Å; V508-I524 HydrophobicContact CG2-CG1 4.43Å; V508-L539 HydrophobicContact CB-CD2 4.22Å; V508-L539 HydrophobicContact CG1-CD2 3.85Å; V508-P550 VanDerWaalsContact O-O 3.12Å; V508-G551 PolarHBondContact N-O 2.79Å; V508-F638 CarbonylContact C-O 3.4Å; V508-F638 WeakPolarHBondContact CA-O 3.18Å; V508-F638 HydrophobicContact CG1-CB 4.03Å; V508-F638 HydrophobicContact CG2-CB 4.36Å; V508-C640 VanDerWaalsContact CG1-SG 3.53Å
509I71.7Confident65.1Low74 Ų7463.9 Ų63.938%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-117.4134.2-176.8-56.4179.2000109.1I637 F638 I639 C640I509-I637 HydrophobicContact CD1-CG2 3.65Å; I509-I637 HydrophobicContact CG1-CG2 3.99Å; I509-F638 PolarHBondContact N-O 2.79Å; I509-I639 WeakPolarHBondContact O-CA 3.19Å; I509-C640 PolarHBondContact O-N 3.27Å
510N68.7Low64.5Low34 Ų3461.4 Ų61.418%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-89.5122.7172-169.3-6.1000110.3N512 L539 C640N510-N512 VanDerWaalsContact C-N 3.33Å; N510-N512 PolarHBondContact OD1-N 3.01Å; N510-L539 HydrophobicContact CB-CB 4.23Å; N510-L539 HydrophobicContact CB-CD1 3.93Å; N510-L539 HydrophobicContact CB-CD2 4.23Å; N510-L539 HydrophobicContact CB-CG 4.37Å; N510-C640 PolarHBondContact OD1-O 2.94Å
511R63.6Low63.9Low79 Ų7959.1 Ų59.130%0.29832%0.316SS..SBendtrans-70-31.8174-138-177.8-160.7145.119.2111.3V513 E582 I639 C640 D643 V752R511-V513 PolarHBondContact O-N 3.38Å; R511-E582 IonicContact NH1-OE2 2.86Å; R511-I639 HydrophobicContact CB-CG2 4.31Å; R511-I639 HydrophobicContact CG-CG2 4.19Å; R511-C640 PolarHBondContact N-O 2.85Å; R511-D643 IonicContact CZ-OD1 2.7Å; R511-D643 IonicContact NE-OD1 3.54Å; R511-D643 IonicContact NH1-OD1 3.67Å; R511-D643 PolarHBondContact NH1-OD1 2.86Å; R511-V752 VanDerWaalsContact CZ-O 3.32Å; R511-V752 PolarHBondContact NH2-O 2.88Å
512N53.7Low63.5Low39 Ų3955 Ų5521%0.20930%0.3CS..  trans-9868.2-170-71.3-12.7000112.8N510 S514 T642N510-N512 VanDerWaalsContact C-N 3.33Å; N510-N512 PolarHBondContact OD1-N 3.01Å; N512-S514 VanDerWaalsContact C-N 3.27Å; N512-S514 PolarHBondContact O-N 3.22Å; N512-T642 PolarHBondContact ND2-OG1 3.07Å
513V51.6Low63.2Low128 Ų12857.3 Ų57.378%0.77631%0.314SS*.  trans-79.470.9174.8-168.90000111.1R511R511-V513 PolarHBondContact O-N 3.38Å
514S41.8Very low62.9Low57 Ų5754.1 Ų54.140%0.39930%0.302SS..  trans-92.9136.2169.2173.30000110.6N512 Q516 N517N512-S514 VanDerWaalsContact C-N 3.27Å; N512-S514 PolarHBondContact O-N 3.22Å; S514-Q516 PolarHBondContact O-N 2.88Å; S514-Q516 PolarHBondContact OG-N 3.2Å; S514-N517 PolarHBondContact O-N 3.05Å
515P41.2Very low62.7Low116 Ų11658.7 Ų58.775%0.75332%0.322SS*.THydrogen-bonded Turntrans-54.6-19.8177.2-26.934.9000115.2
516Q41.6Very low62.7Low179 Ų17957.7 Ų57.784%0.83632%0.317SS*.THydrogen-bonded Turntrans-100-16.5-178.4-59.3-170.61.800114S514 K518S514-Q516 PolarHBondContact O-N 2.88Å; S514-Q516 PolarHBondContact OG-N 3.2Å; Q516-K518 PolarHBondContact O-N 3.18Å
517N42.5Very low62.6Low87 Ų8759.1 Ų59.147%0.46533%0.326SS..  trans-100.974.5176.8-91.5-7.3000111.5S514S514-N517 PolarHBondContact O-N 3.05Å
518K48.2Very low62.5Low162 Ų16260.1 Ų60.170%0.70434%0.336SS*.  trans-87.4-7.3177.2-68.9-171.1176.6-175.10115Q516 S540Q516-K518 PolarHBondContact O-N 3.18Å; K518-S540 WeakPolarHBondContact O-CB 3.27Å; K518-S540 PolarHBondContact O-OG 3.19Å
519G51.8Low62.1Low46 Ų4666 Ų6647%0.47437%0.372SS..  trans-111.1121.4-172.600000112.2Q577G519-Q577 PolarHBondContact O-NE2 2.68Å; G519-Q577 PolarHBondContact O-OE1 2.85Å
520G58.9Low61.6Low7 Ų766.7 Ų66.77%0.07238%0.377CS..  trans-176.3119.4174.400000109.6L539 H575G520-L539 PolarHBondContact O-N 3.22Å; G520-H575 WeakPolarHBondContact CA-NE2 3.25Å
521S64.9Low61.5Low48 Ų4866 Ų6634%0.33637%0.372SS..EExtended strand (participates in β ladder)trans-92.8140.1170.456.70000109.6T537 S576S521-T537 CarbonylContact C-O 3.57Å; S521-T537 VanDerWaalsContact CA-O 3.26Å; S521-T537 WeakPolarHBondContact CA-O 3.09Å; S521-S576 PolarHBondContact N-OG 3.07Å; S521-S576 WeakPolarHBondContact O-CB 3.32Å; S521-S576 PolarHBondContact O-N 3.39Å; S521-S576 PolarHBondContact O-OG 2.86Å; S521-S576 WeakPolarHBondContact OG-CB 3.33Å
522V70.5Confident61.9Low0 Ų067 Ų670%039%0.387CS..EExtended strand (participates in β ladder)trans-106.8122.4167.5172.60000108V508 I524 S536 T537 L539 A573 T574 H575V508-V522 HydrophobicContact CG1-CB 4.45Å; V508-V522 HydrophobicContact CG1-CG1 4.1Å; V508-V522 HydrophobicContact CG1-CG2 4.06Å; V508-V522 HydrophobicContact CG2-CG1 4.28Å; V522-I524 HydrophobicContact CG1-CG1 3.98Å; V522-S536 WeakPolarHBondContact O-CA 3.16Å; V522-T537 HydrophobicContact CB-CG2 4.23Å; V522-T537 PolarHBondContact N-O 2.94Å; V522-T537 PolarHBondContact O-N 3.23Å; V522-L539 HydrophobicContact CG2-CD1 3.46Å; V522-L539 VanDerWaalsContact CG2-CD1 3.46Å; V522-L539 HydrophobicContact CG2-CD2 3.98Å; V522-L539 HydrophobicContact CG2-CG 3.57Å; V522-A573 HydrophobicContact CG1-CB 3.87Å; V522-T574 WeakPolarHBondContact CA-O 3.36Å; V522-H575 HydrophobicContact CG2-CB 4.17Å
523T77.4Confident62.7Low50 Ų5065.6 Ų65.631%0.30738%0.382SS..EExtended strand (participates in β ladder)trans-91.1121.1169.6-56.40000108T534 Y535 A573 T574T523-T534 HydrophobicContact CG2-CG2 3.44Å; T523-T534 VanDerWaalsContact CG2-CG2 3.44Å; T523-Y535 CarbonylContact C-O 3.6Å; T523-Y535 WeakPolarHBondContact CA-O 3.46Å; T523-A573 CarbonylContact O-C 3.49Å; T523-A573 WeakPolarHBondContact O-CA 3.25Å; T523-T574 PolarHBondContact N-O 3.06Å; T523-T574 PolarHBondContact O-N 3.26Å
524I77.2Confident63.7Low0 Ų063.8 Ų63.80%037%0.371CS..EExtended strand (participates in β ladder)trans-104.9117.3173.4-56.4180000108V506 V508 V522 T534 Y535 V553 V555 I571 K572V506-I524 HydrophobicContact CB-CD1 4.1Å; V506-I524 HydrophobicContact CG1-CD1 3.91Å; V506-I524 HydrophobicContact CG1-CG2 4.47Å; V508-I524 HydrophobicContact CG2-CD1 3.74Å; V508-I524 HydrophobicContact CG2-CG1 4.43Å; V522-I524 HydrophobicContact CG1-CG1 3.98Å; I524-T534 WeakPolarHBondContact O-CA 3.15Å; I524-Y535 PolarHBondContact N-O 3.06Å; I524-Y535 PolarHBondContact O-N 3.05Å; I524-V553 HydrophobicContact CD1-CB 3.59Å; I524-V553 HydrophobicContact CD1-CG1 4.1Å; I524-V553 HydrophobicContact CD1-CG2 3.47Å; I524-V553 VanDerWaalsContact CD1-CG2 3.47Å; I524-V555 HydrophobicContact CG2-CG2 4.12Å; I524-I571 HydrophobicContact CG2-CG2 3.62Å; I524-K572 CarbonylContact C-O 3.59Å; I524-K572 VanDerWaalsContact CA-O 3.32Å; I524-K572 WeakPolarHBondContact CA-O 3.47Å
525K80.7Confident65.4Low101 Ų10163.3 Ų63.344%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-101.8125.5173.6-171.2179.5-178-179.70109.1T527 G533 I571 K572K525-T527 HydrophobicContact CD-CG2 4.37Å; K525-T527 HydrophobicContact CG-CG2 4.23Å; K525-G533 WeakPolarHBondContact CA-O 3.3Å; K525-I571 CarbonylContact O-C 3.38Å; K525-I571 WeakPolarHBondContact O-CA 3.25Å; K525-K572 PolarHBondContact N-O 2.71Å; K525-K572 PolarHBondContact O-N 2.89Å
526A79.3Confident66.4Low0 Ų062 Ų620%035%0.354CS..EExtended strand (participates in β ladder)trans-111.7129.2172.900000109.4V532 G533 Y535 V555 V569 Q570A526-V532 CarbonylContact O-C 3.58Å; A526-V532 WeakPolarHBondContact O-CA 3.34Å; A526-G533 PolarHBondContact N-O 3.12Å; A526-G533 PolarHBondContact O-N 3.04Å; A526-Y535 HydrophobicContact CB-CE2 4.34Å; A526-V555 HydrophobicContact CB-CG1 3.62Å; A526-V569 HydrophobicContact CB-CG1 4.19Å; A526-Q570 WeakPolarHBondContact CA-O 3.46Å
527T78.3Confident67.4Low30 Ų3054.7 Ų54.718%0.18432%0.322CS..EExtended strand (participates in β ladder)trans-133.2130.4-176.542.40000110.7K525 V532 Q570K525-T527 HydrophobicContact CD-CG2 4.37Å; K525-T527 HydrophobicContact CG-CG2 4.23Å; T527-V532 HydrophobicContact CG2-CB 4.41Å; T527-V532 HydrophobicContact CG2-CG1 3.87Å; T527-V532 HydrophobicContact CG2-CG2 4.08Å; T527-Q570 PolarHBondContact N-O 3.24Å; T527-Q570 PolarHBondContact O-N 2.93Å; T527-Q570 PolarHBondContact OG1-O 3.02Å
528G74.5Confident68.4Low23 Ų2352.6 Ų52.624%0.23731%0.313CS..  trans-126.3-171.8166.800000111.4D530 Y531G528-D530 PolarHBondContact O-N 3.16Å; G528-Y531 PolarHBondContact N-O 2.64Å
529T66.3Low68.9Low125 Ų12546.3 Ų46.377%0.76729%0.287SS*.SBendtrans-61.3-24.8-176.343.40000114.8
530D61.3Low68.8Low90 Ų9047.7 Ų47.748%0.48129%0.289SS..SBendtrans-142.712.4-170.860.8-18.1000113.6G528 K558G528-D530 PolarHBondContact O-N 3.16Å; D530-K558 VanDerWaalsContact OD2-CD 3.28Å; D530-K558 WeakPolarHBondContact OD2-CD 3.39Å; D530-K558 WeakPolarHBondContact OD2-CE 3.4Å; D530-K558 IonicContact OD2-NZ 2.7Å; D530-K558 PolarHBondContact OD2-NZ 3Å
531Y67.4Low68.2Low18 Ų1851.5 Ų51.57%0.07131%0.305CS..  trans-150.5152.3175.473.5-82.3000112.7W501 G528 V557 K558 T567 Q568 V569W501-Y531 HydrophobicContact CH2-CG 4.39Å; W501-Y531 HydrophobicContact CZ3-CD2 4.25Å; W501-Y531 HydrophobicContact CZ3-CG 4.22Å; G528-Y531 PolarHBondContact N-O 2.64Å; Y531-V557 HydrophobicContact CE2-CB 4.25Å; Y531-V557 HydrophobicContact CE2-CG1 4.15Å; Y531-K558 HydrophobicContact CD1-CB 3.92Å; Y531-K558 HydrophobicContact CE1-CB 3.97Å; Y531-T567 HydrophobicContact CE1-CG2 3.97Å; Y531-Q568 PolarHBondContact OH-O 2.78Å; Y531-V569 WeakPolarHBondContact OH-CG1 3.44Å; Y531-V569 VanDerWaalsContact OH-CG2 3.25Å; Y531-V569 WeakPolarHBondContact OH-CG2 3.26Å
532V72.1Confident67.3Low101 Ų10155.7 Ų55.761%0.61232%0.319SS*.EExtended strand (participates in β ladder)trans-137.6120.3172.4-176.40000108.8A526 T527A526-V532 CarbonylContact O-C 3.58Å; A526-V532 WeakPolarHBondContact O-CA 3.34Å; T527-V532 HydrophobicContact CG2-CB 4.41Å; T527-V532 HydrophobicContact CG2-CG1 3.87Å; T527-V532 HydrophobicContact CG2-CG2 4.08Å
533G69.9Low66.1Low10 Ų1057.1 Ų57.110%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-114.5144.1174.200000111.3K525 A526K525-G533 WeakPolarHBondContact CA-O 3.3Å; A526-G533 PolarHBondContact N-O 3.12Å; A526-G533 PolarHBondContact O-N 3.04Å
534T72.1Confident64.5Low90 Ų9063.6 Ų63.655%0.55236%0.355SS*.EExtended strand (participates in β ladder)trans-127.9128.9171.8-52.40000108.9T523 I524T523-T534 HydrophobicContact CG2-CG2 3.44Å; T523-T534 VanDerWaalsContact CG2-CG2 3.44Å; I524-T534 WeakPolarHBondContact O-CA 3.15Å
535Y76.5Confident63.1Low46 Ų4666.9 Ų66.918%0.1837%0.37CS..EExtended strand (participates in β ladder)trans-127.5146.7-175.8-53.4-92.1000108.4T523 I524 A526 V555 Q556T523-Y535 CarbonylContact C-O 3.6Å; T523-Y535 WeakPolarHBondContact CA-O 3.46Å; I524-Y535 PolarHBondContact N-O 3.06Å; I524-Y535 PolarHBondContact O-N 3.05Å; A526-Y535 HydrophobicContact CB-CE2 4.34Å; Y535-V555 HydrophobicContact CD2-CB 4.38Å; Y535-V555 HydrophobicContact CD2-CG1 4.06Å; Y535-V555 HydrophobicContact CD2-CG2 3.93Å; Y535-V555 HydrophobicContact CE2-CB 4.32Å; Y535-V555 HydrophobicContact CE2-CG1 3.68Å; Y535-V555 HydrophobicContact CE2-CG2 4.36Å; Y535-V555 HydrophobicContact CG-CG2 4.19Å; Y535-Q556 HydrophobicContact CE1-CB 4.43Å; Y535-Q556 WeakPolarHBondContact OH-CB 3.31Å; Y535-Q556 PolarHBondContact OH-N 2.67Å; Y535-Q556 PolarHBondContact OH-O 3.24Å; Y535-Q556 VanDerWaalsContact OH-O 3.12Å
536S63.5Low61.4Low89 Ų8965 Ų6562%0.62237%0.368SS*.EExtended strand (participates in β ladder)trans-129.9137.5179.6-56.20000110.5V522V522-S536 WeakPolarHBondContact O-CA 3.16Å
537T63.1Low59.9Low26 Ų2666.7 Ų66.716%0.1638%0.382CS..EExtended strand (participates in β ladder)trans-135.6159.2172.6-164.20000110.5S521 V522 V553S521-T537 CarbonylContact C-O 3.57Å; S521-T537 VanDerWaalsContact CA-O 3.26Å; S521-T537 WeakPolarHBondContact CA-O 3.09Å; V522-T537 HydrophobicContact CB-CG2 4.23Å; V522-T537 PolarHBondContact N-O 2.94Å; V522-T537 PolarHBondContact O-N 3.23Å; T537-V553 HydrophobicContact CG2-CG2 3.4Å; T537-V553 VanDerWaalsContact CG2-CG2 3.4Å
538T63Low58.8Low43 Ų4366.4 Ų66.426%0.26438%0.379SS..EExtended strand (participates in β ladder)trans-10112717518.90000108.7S540 E541T538-S540 PolarHBondContact O-N 2.84Å; T538-E541 PolarHBondContact O-N 2.69Å; T538-E541 VanDerWaalsContact O-N 3.09Å; T538-E541 WeakPolarHBondContact OG1-CG 3.15Å; T538-E541 PolarHBondContact OG1-OE1 3.02Å
539L58.2Low57.9Low30 Ų3069.1 Ų69.116%0.15739%0.388CS..THydrogen-bonded Turntrans-68.110.9-179.1-77.6172.4000114.5V508 N510 G520 V522 C640V508-L539 HydrophobicContact CB-CD2 4.22Å; V508-L539 HydrophobicContact CG1-CD2 3.85Å; N510-L539 HydrophobicContact CB-CB 4.23Å; N510-L539 HydrophobicContact CB-CD1 3.93Å; N510-L539 HydrophobicContact CB-CD2 4.23Å; N510-L539 HydrophobicContact CB-CG 4.37Å; G520-L539 PolarHBondContact O-N 3.22Å; V522-L539 HydrophobicContact CG2-CD1 3.46Å; V522-L539 VanDerWaalsContact CG2-CD1 3.46Å; V522-L539 HydrophobicContact CG2-CD2 3.98Å; V522-L539 HydrophobicContact CG2-CG 3.57Å; L539-C640 HydrophobicContact CD1-CB 4.29Å
540S50.1Low57.4Low74 Ų7467.6 Ų67.652%0.51738%0.38SS..THydrogen-bonded Turntrans-126.54.2177.452.60000113.6K518 T538K518-S540 WeakPolarHBondContact O-CB 3.27Å; K518-S540 PolarHBondContact O-OG 3.19Å; T538-S540 PolarHBondContact O-N 2.84Å
541E46.1Very low57.6Low88 Ų8863.6 Ų63.641%0.41136%0.36SS..SBendtrans-80.7128.3170.9-86-178.4-150.900111.3T538 A543 K544T538-E541 PolarHBondContact O-N 2.69Å; T538-E541 VanDerWaalsContact O-N 3.09Å; T538-E541 WeakPolarHBondContact OG1-CG 3.15Å; T538-E541 PolarHBondContact OG1-OE1 3.02Å; E541-A543 PolarHBondContact O-N 3.31Å; E541-K544 VanDerWaalsContact OE2-CE 3.29Å; E541-K544 WeakPolarHBondContact OE2-CE 3.41Å; E541-K544 IonicContact OE2-NZ 3.96Å; E541-K544 PolarHBondContact OE2-NZ 3.1Å
542Q45.5Very low57.9Low136 Ų13663.5 Ų63.564%0.63636%0.362SS*.PPolyproline II helixtrans-51.6136.6161.8-75.1176.9-22.500108.7K544Q542-K544 PolarHBondContact O-N 3.44Å; Q542-K544 VanDerWaalsContact O-N 3.11Å
543A45.3Very low58Low30 Ų3059.2 Ų59.225%0.24834%0.336CS..PPolyproline II helixtrans-56.6122.117800000109.8E541 H545 L548 L549E541-A543 PolarHBondContact O-N 3.31Å; A543-H545 PolarHBondContact O-N 2.96Å; A543-L548 HydrophobicContact CB-CB 4.23Å; A543-L549 WeakPolarHBondContact CB-O 3.05Å
544K44.8Very low58.3Low186 Ų18660.9 Ų60.981%0.80935%0.345SS*.SBendtrans-58.4-11179-71.6174.9-177.6157.20113.3E541 Q542E541-K544 VanDerWaalsContact OE2-CE 3.29Å; E541-K544 WeakPolarHBondContact OE2-CE 3.41Å; E541-K544 IonicContact OE2-NZ 3.96Å; E541-K544 PolarHBondContact OE2-NZ 3.1Å; Q542-K544 PolarHBondContact O-N 3.44Å; Q542-K544 VanDerWaalsContact O-N 3.11Å
545H47.1Very low58.6Low68 Ų6856.6 Ų56.632%0.31532%0.319SS..SBendtrans-131.1124.7171.4-149.2-47.8000111.8A543 A547 L548 V625A543-H545 PolarHBondContact O-N 2.96Å; H545-A547 PolarHBondContact O-N 3.27Å; H545-L548 HydrophobicContact CB-CD1 4Å; H545-L548 HydrophobicContact CB-CG 4.16Å; H545-L548 PolarHBondContact O-N 3.43Å; H545-L548 VanDerWaalsContact O-N 3.09Å; H545-V625 HydrophobicContact CB-CG2 4.36Å
546P45.5Very low58.9Low61 Ų6157.3 Ų57.340%0.39632%0.324SS..THydrogen-bonded Turntrans-46.6-22.5179.9-41.239.7000120.6F669P546-F669 HydrophobicContact CB-CE1 3.75Å; P546-F669 HydrophobicContact CB-CZ 3.53Å; P546-F669 HydrophobicContact CG-CE1 4.24Å; P546-F669 HydrophobicContact CG-CZ 3.82Å
547A47.7Very low59.8Low37 Ų3753.1 Ų53.131%0.30629%0.294SS..THydrogen-bonded Turntrans-96.3-0.5-174.400000112.6H545 V625 K629H545-A547 PolarHBondContact O-N 3.27Å; A547-V625 HydrophobicContact CB-CG1 3.87Å; A547-K629 HydrophobicContact CB-CG 3.77Å
548L53.9Low60.6Low23 Ų2353.4 Ų53.412%0.1229%0.294CS..SBendtrans-105.9155.9-177.2-58.2-174.6000110.7I505 A543 H545 V625 E628I505-L548 HydrophobicContact CD1-CD1 4.42Å; I505-L548 HydrophobicContact CD1-CD2 3.5Å; I505-L548 HydrophobicContact CG1-CD2 4.27Å; I505-L548 HydrophobicContact CG2-CD2 4.46Å; A543-L548 HydrophobicContact CB-CB 4.23Å; H545-L548 HydrophobicContact CB-CD1 4Å; H545-L548 HydrophobicContact CB-CG 4.16Å; H545-L548 PolarHBondContact O-N 3.43Å; H545-L548 VanDerWaalsContact O-N 3.09Å; L548-V625 HydrophobicContact CD1-CG2 4.03Å; L548-V625 HydrophobicContact CD2-CG2 4.1Å; L548-V625 HydrophobicContact CG-CG2 4.17Å; L548-E628 HydrophobicContact CD2-CG 4.46Å
549L57.5Low61.5Low81 Ų8151.5 Ų51.542%0.42428%0.282SS..  trans-69.8150.5173.7-67.3170.8000110.3N507 A543 G551 S552N507-L549 HydrophobicContact CB-CD1 4.03Å; A543-L549 WeakPolarHBondContact CB-O 3.05Å; L549-G551 PolarHBondContact O-N 3.26Å; L549-S552 WeakPolarHBondContact CA-OG 3.49Å; L549-S552 PolarHBondContact N-OG 3.04Å; L549-S552 VanDerWaalsContact O-CB 3.3Å; L549-S552 WeakPolarHBondContact O-CB 3.07Å; L549-S552 PolarHBondContact O-N 3.19Å; L549-S552 PolarHBondContact O-OG 3.4Å
550P55.4Low62.5Low93 Ų9350 Ų5060%0.60427%0.274SS*.THydrogen-bonded Turntrans-53.2131.5163.6-22.934.1000109.3V508V508-P550 VanDerWaalsContact O-O 3.12Å
551G64.7Low63.7Low6 Ų651.2 Ų51.26%0.06227%0.267CS..THydrogen-bonded Turntrans81.15.2-172.800000116V508 L549V508-G551 PolarHBondContact N-O 2.79Å; L549-G551 PolarHBondContact O-N 3.26Å
552S73.2Confident65.1Low16 Ų1652 Ų5211%0.11227%0.27CS..  trans-66.5131.2168.6-62.50000112.2V506 N507 L549V506-S552 CarbonylContact O-C 3.49Å; V506-S552 WeakPolarHBondContact O-CA 3.41Å; N507-S552 PolarHBondContact OD1-OG 3.19Å; L549-S552 WeakPolarHBondContact CA-OG 3.49Å; L549-S552 PolarHBondContact N-OG 3.04Å; L549-S552 VanDerWaalsContact O-CB 3.3Å; L549-S552 WeakPolarHBondContact O-CB 3.07Å; L549-S552 PolarHBondContact O-N 3.19Å; L549-S552 PolarHBondContact O-OG 3.4Å
553V74.6Confident65.8Low10 Ų1046.8 Ų46.86%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-120.5123.2179.4-175.40000110V506 I524 T537 V555V506-V553 PolarHBondContact N-O 3.35Å; V506-V553 PolarHBondContact O-N 2.84Å; I524-V553 HydrophobicContact CD1-CB 3.59Å; I524-V553 HydrophobicContact CD1-CG1 4.1Å; I524-V553 HydrophobicContact CD1-CG2 3.47Å; I524-V553 VanDerWaalsContact CD1-CG2 3.47Å; T537-V553 HydrophobicContact CG2-CG2 3.4Å; T537-V553 VanDerWaalsContact CG2-CG2 3.4Å; V553-V555 HydrophobicContact CG1-CG2 4.17Å; V553-V555 PolarHBondContact O-N 2.74Å
554P77.2Confident66.9Low46 Ų4657.6 Ų57.630%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-72.7119.8167.430.1-31.6000109.3W503 I504 V621W503-P554 HydrophobicContact CE3-CB 3.92Å; W503-P554 HydrophobicContact CZ3-CB 4.32Å; I504-P554 CarbonylContact O-C 3.52Å; I504-P554 WeakPolarHBondContact O-CA 3.48Å; P554-V621 HydrophobicContact CB-CG1 4.17Å; P554-V621 HydrophobicContact CB-CG2 4.04Å
555V78.5Confident68.1Low0 Ų049.3 Ų49.30%026%0.255CS..EExtended strand (participates in β ladder)trans-109.6134.5-179168.60000108.3W503 I504 V506 I524 A526 Y535 V553 V557W503-V555 WeakPolarHBondContact CA-O 3.38Å; I504-V555 HydrophobicContact CD1-CB 4.36Å; I504-V555 HydrophobicContact CD1-CG1 4.24Å; I504-V555 HydrophobicContact CG1-CB 3.87Å; I504-V555 HydrophobicContact CG1-CG1 4.16Å; I504-V555 WeakPolarHBondContact CG1-O 3.5Å; I504-V555 PolarHBondContact N-O 3.3Å; I504-V555 PolarHBondContact O-N 2.69Å; V506-V555 HydrophobicContact CB-CG2 4.33Å; V506-V555 HydrophobicContact CG2-CB 4.25Å; V506-V555 HydrophobicContact CG2-CG2 3.71Å; I524-V555 HydrophobicContact CG2-CG2 4.12Å; A526-V555 HydrophobicContact CB-CG1 3.62Å; Y535-V555 HydrophobicContact CD2-CB 4.38Å; Y535-V555 HydrophobicContact CD2-CG1 4.06Å; Y535-V555 HydrophobicContact CD2-CG2 3.93Å; Y535-V555 HydrophobicContact CE2-CB 4.32Å; Y535-V555 HydrophobicContact CE2-CG1 3.68Å; Y535-V555 HydrophobicContact CE2-CG2 4.36Å; Y535-V555 HydrophobicContact CG-CG2 4.19Å; V553-V555 HydrophobicContact CG1-CG2 4.17Å; V553-V555 PolarHBondContact O-N 2.74Å; V555-V557 HydrophobicContact CG1-CG1 4.07Å
556Q81.8Confident69.5Low61 Ų6152.5 Ų52.529%0.28527%0.267SS..EExtended strand (participates in β ladder)trans-93.6134.2179.4-163.2-176.94.200109.5W501 V502 W503 Y535W501-Q556 HydrophobicContact CB-CG 3.97Å; W501-Q556 HydrophobicContact CD2-CG 4.41Å; W501-Q556 HydrophobicContact CE3-CG 4Å; W501-Q556 HydrophobicContact CG-CG 4.43Å; V502-Q556 WeakPolarHBondContact O-CA 3.04Å; W503-Q556 HydrophobicContact CD2-CB 4.44Å; W503-Q556 HydrophobicContact CE3-CB 4.03Å; W503-Q556 HydrophobicContact CH2-CB 4.14Å; W503-Q556 HydrophobicContact CH2-CG 4.46Å; W503-Q556 HydrophobicContact CZ2-CG 4.38Å; W503-Q556 HydrophobicContact CZ3-CB 3.88Å; Y535-Q556 HydrophobicContact CE1-CB 4.43Å; Y535-Q556 WeakPolarHBondContact OH-CB 3.31Å; Y535-Q556 PolarHBondContact OH-N 2.67Å; Y535-Q556 PolarHBondContact OH-O 3.24Å; Y535-Q556 VanDerWaalsContact OH-O 3.12Å
557V82.5Confident71.1Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-140.8159.6-177.1-62.20000110.3V502 I504 Y531 V555 V569 L603V502-V557 HydrophobicContact CG2-CG2 3.84Å; V502-V557 PolarHBondContact N-O 3.14Å; V502-V557 PolarHBondContact O-N 3.06Å; I504-V557 HydrophobicContact CD1-CG1 3.87Å; I504-V557 HydrophobicContact CG1-CG1 4.23Å; I504-V557 HydrophobicContact CG1-CG2 4.48Å; I504-V557 HydrophobicContact CG2-CG2 4.02Å; Y531-V557 HydrophobicContact CE2-CB 4.25Å; Y531-V557 HydrophobicContact CE2-CG1 4.15Å; V555-V557 HydrophobicContact CG1-CG1 4.07Å; V557-V569 HydrophobicContact CB-CG2 4.33Å; V557-V569 HydrophobicContact CG1-CG1 3.82Å; V557-V569 HydrophobicContact CG1-CG2 4.09Å; V557-L603 HydrophobicContact CG2-CD1 3.53Å
558K80.4Confident72.8Confident33 Ų3352.9 Ų52.914%0.14326%0.258CS..EExtended strand (participates in β ladder)trans-63.4139.1178-169.5158.6-173.9158.60110.5D530 Y531 F562 T567D530-K558 VanDerWaalsContact OD2-CD 3.28Å; D530-K558 WeakPolarHBondContact OD2-CD 3.39Å; D530-K558 WeakPolarHBondContact OD2-CE 3.4Å; D530-K558 IonicContact OD2-NZ 2.7Å; D530-K558 PolarHBondContact OD2-NZ 3Å; Y531-K558 HydrophobicContact CD1-CB 3.92Å; Y531-K558 HydrophobicContact CE1-CB 3.97Å; K558-F562 HydrophobicContact CG-CB 4.5Å; K558-T567 HydrophobicContact CB-CG2 4.03Å; K558-T567 WeakPolarHBondContact O-CG2 3.24Å; K558-T567 PolarHBondContact O-OG1 2.83Å
559N82.3Confident74.2Confident2 Ų251.8 Ų51.81%0.01125%0.253CS..  trans-71.9128.9177.6179.2-16.4000109.9T499 E500 V502 R561 F562T499-N559 WeakPolarHBondContact O-CB 3.29Å; T499-N559 PolarHBondContact O-ND2 2.78Å; E500-N559 WeakPolarHBondContact O-CB 3.45Å; E500-N559 PolarHBondContact O-N 2.64Å; V502-N559 HydrophobicContact CG1-CB 3.94Å; V502-N559 HydrophobicContact CG2-CB 4.44Å; N559-R561 PolarHBondContact O-N 3.21Å; N559-R561 WeakPolarHBondContact OD1-CB 3.38Å; N559-R561 PolarHBondContact OD1-N 3.3Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; N559-F562 HydrophobicContact CB-CD2 3.92Å; N559-F562 HydrophobicContact CB-CE2 4.49Å; N559-F562 PolarHBondContact O-N 2.81Å
560P78.7Confident75.6Confident0 Ų051.1 Ų51.10%025%0.247CC..G310 helixtrans-49.7-28.9178.1-32.238000115.5F562 G563 G565 K566 T567 L603 E605 Y617P560-F562 PolarHBondContact O-N 3.03Å; P560-G563 PolarHBondContact O-N 2.91Å; P560-G563 VanDerWaalsContact O-N 3.08Å; P560-G565 CarbonylContact O-C 3.54Å; P560-G565 WeakPolarHBondContact O-CA 3.25Å; P560-G565 PolarHBondContact O-N 2.98Å; P560-K566 PolarHBondContact O-N 2.86Å; P560-T567 WeakPolarHBondContact CA-OG1 3.33Å; P560-L603 HydrophobicContact CG-CB 3.53Å; P560-E605 HydrophobicContact CB-CB 4.1Å; P560-Y617 HydrophobicContact CG-CE1 3.97Å
561R75.6Confident77Confident98 Ų9846.8 Ų46.837%0.3722%0.219SC..G310 helixtrans-55.6-37.8173-72.8-170.5151.9-176-9.4113.5I497 N559 G563 E605I497-R561 PolarHBondContact O-NH1 3.28Å; N559-R561 PolarHBondContact O-N 3.21Å; N559-R561 WeakPolarHBondContact OD1-CB 3.38Å; N559-R561 PolarHBondContact OD1-N 3.3Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; R561-G563 VanDerWaalsContact C-N 3.34Å; R561-E605 HydrophobicContact CG-CG 3.94Å; R561-E605 WeakPolarHBondContact CG-OE1 3.36Å; R561-E605 IonicContact NE-OE1 3.25Å; R561-E605 PolarHBondContact NE-OE1 3.17Å
562F74.2Confident78.1Confident105 Ų10552 Ų5246%0.46124%0.24SC..G310 helixtrans-91.31.3-179-63.2-100.1000112.4T499 E500 K558 N559 P560T499-F562 WeakPolarHBondContact O-CE2 3.39Å; E500-F562 HydrophobicContact CG-CD1 4.49Å; K558-F562 HydrophobicContact CG-CB 4.5Å; N559-F562 HydrophobicContact CB-CD2 3.92Å; N559-F562 HydrophobicContact CB-CE2 4.49Å; N559-F562 PolarHBondContact O-N 2.81Å; P560-F562 PolarHBondContact O-N 3.03Å
563G60.9Low78.5Confident27 Ų2751.7 Ų51.728%0.27824%0.238SC..THydrogen-bonded Turntrans-116.234.6-178.100000114.3P560 R561 G565 K566P560-G563 PolarHBondContact O-N 2.91Å; P560-G563 VanDerWaalsContact O-N 3.08Å; R561-G563 VanDerWaalsContact C-N 3.34Å; G563-G565 PolarHBondContact O-N 2.72Å; G563-K566 CarbonylContact C-O 3.59Å; G563-K566 WeakPolarHBondContact CA-O 3.42Å; G563-K566 PolarHBondContact O-N 3.15Å
564R68.5Low78.9Confident256 Ų25654.6 Ų54.697%0.96626%0.256SS*.THydrogen-bonded Turntrans58.629.7-173.5-52.1179.5178.3178-0.5113.7
565G70.1Confident79Confident13 Ų1352.7 Ų52.713%0.13424%0.243CC..THydrogen-bonded Turntrans89.81.4179.800000115P560 G563 E605P560-G565 CarbonylContact O-C 3.54Å; P560-G565 WeakPolarHBondContact O-CA 3.25Å; P560-G565 PolarHBondContact O-N 2.98Å; G563-G565 PolarHBondContact O-N 2.72Å; G565-E605 PolarHBondContact O-N 3.4Å
566K77.3Confident78.8Confident134 Ų13456.2 Ų56.258%0.58327%0.268SS*.EExtended strand (participates in β ladder)trans-139.4159.3174.6-61.7-168.7177.9-177.90111.4P560 G563 T602 L603 T604P560-K566 PolarHBondContact O-N 2.86Å; G563-K566 CarbonylContact C-O 3.59Å; G563-K566 WeakPolarHBondContact CA-O 3.42Å; G563-K566 PolarHBondContact O-N 3.15Å; K566-T602 HydrophobicContact CB-CG2 4.46Å; K566-T602 HydrophobicContact CD-CG2 4.33Å; K566-L603 CarbonylContact C-O 3.19Å; K566-L603 VanDerWaalsContact CA-O 3.26Å; K566-L603 WeakPolarHBondContact CA-O 3.32Å; K566-T604 HydrophobicContact CG-CG2 4.29Å
567T79.1Confident78.2Confident9 Ų958.7 Ų58.76%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-144.9116166.7-61.90000108.7Y531 K558 P560 V569 L603Y531-T567 HydrophobicContact CE1-CG2 3.97Å; K558-T567 HydrophobicContact CB-CG2 4.03Å; K558-T567 WeakPolarHBondContact O-CG2 3.24Å; K558-T567 PolarHBondContact O-OG1 2.83Å; P560-T567 WeakPolarHBondContact CA-OG1 3.33Å; T567-V569 HydrophobicContact CG2-CG2 4.3Å; T567-L603 PolarHBondContact N-O 2.91Å; T567-L603 PolarHBondContact O-N 3.39Å
568Q81.7Confident77.6Confident98 Ų9860.1 Ų60.146%0.45829%0.288SS..EExtended strand (participates in β ladder)trans-80.2139.8169.7-75.9172.3-64.700109.7Y531 E600Y531-Q568 PolarHBondContact OH-O 2.78Å; Q568-E600 PolarHBondContact NE2-OE1 3.15Å
569V83.1Confident77Confident0 Ų060.3 Ų60.30%030%0.3CS..EExtended strand (participates in β ladder)trans-136.7113.5179.1-166.40000107.3A526 Y531 V557 T567 I571 E600 I601 L603A526-V569 HydrophobicContact CB-CG1 4.19Å; Y531-V569 WeakPolarHBondContact OH-CG1 3.44Å; Y531-V569 VanDerWaalsContact OH-CG2 3.25Å; Y531-V569 WeakPolarHBondContact OH-CG2 3.26Å; V557-V569 HydrophobicContact CB-CG2 4.33Å; V557-V569 HydrophobicContact CG1-CG1 3.82Å; V557-V569 HydrophobicContact CG1-CG2 4.09Å; T567-V569 HydrophobicContact CG2-CG2 4.3Å; V569-I571 HydrophobicContact CG1-CD1 4.03Å; V569-I571 HydrophobicContact CG1-CG1 3.69Å; V569-E600 WeakPolarHBondContact O-CA 3.12Å; V569-I601 HydrophobicContact CB-CD1 4.29Å; V569-I601 HydrophobicContact CB-CG1 3.67Å; V569-I601 HydrophobicContact CG1-CG1 4.48Å; V569-I601 HydrophobicContact CG2-CD1 4.42Å; V569-I601 HydrophobicContact CG2-CG1 4.03Å; V569-I601 PolarHBondContact N-O 2.91Å; V569-I601 PolarHBondContact O-N 3.49Å; V569-L603 HydrophobicContact CG2-CD1 4.48Å; V569-L603 HydrophobicContact CG2-CG 4.34Å
570Q87.1Confident76.5Confident67 Ų6765.9 Ų65.931%0.31333%0.33SS..EExtended strand (participates in β ladder)trans-90.6130.9163.1177.7175.183.400108.5A526 T527 K572A526-Q570 WeakPolarHBondContact CA-O 3.46Å; T527-Q570 PolarHBondContact N-O 3.24Å; T527-Q570 PolarHBondContact O-N 2.93Å; T527-Q570 PolarHBondContact OG1-O 3.02Å; Q570-K572 VanDerWaalsContact OE1-CE 3.25Å
571I86.3Confident76.6Confident2 Ų267 Ų671%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-118.1133.3-178-55.1-177.8000108.9I504 V506 I524 K525 V569 A599 I601 L636 F638I504-I571 HydrophobicContact CD1-CD1 3.73Å; V506-I571 HydrophobicContact CG1-CG2 4.25Å; V506-I571 HydrophobicContact CG2-CD1 3.77Å; V506-I571 HydrophobicContact CG2-CG2 4.11Å; I524-I571 HydrophobicContact CG2-CG2 3.62Å; K525-I571 CarbonylContact O-C 3.38Å; K525-I571 WeakPolarHBondContact O-CA 3.25Å; V569-I571 HydrophobicContact CG1-CD1 4.03Å; V569-I571 HydrophobicContact CG1-CG1 3.69Å; I571-A599 PolarHBondContact N-O 3.22Å; I571-A599 WeakPolarHBondContact O-CB 3.22Å; I571-I601 HydrophobicContact CD1-CD1 3.89Å; I571-I601 HydrophobicContact CD1-CG1 4.35Å; I571-L636 HydrophobicContact CB-CD2 3.96Å; I571-L636 HydrophobicContact CD1-CD2 3.76Å; I571-L636 HydrophobicContact CG1-CD2 4.31Å; I571-L636 HydrophobicContact CG2-CD2 4.19Å; I571-F638 HydrophobicContact CB-CE2 4.35Å; I571-F638 HydrophobicContact CB-CZ 4.2Å; I571-F638 HydrophobicContact CG2-CE2 3.63Å; I571-F638 HydrophobicContact CG2-CZ 3.81Å; I571-F638 WeakPolarHBondContact O-CZ 3.42Å
572K86.3Confident76.8Confident115 Ų11566.2 Ų66.250%0.534%0.337SS..EExtended strand (participates in β ladder)trans-130.4127.7174.7-61.9-170.2-179-172.90110.1I524 K525 Q570I524-K572 CarbonylContact C-O 3.59Å; I524-K572 VanDerWaalsContact CA-O 3.32Å; I524-K572 WeakPolarHBondContact CA-O 3.47Å; K525-K572 PolarHBondContact N-O 2.71Å; K525-K572 PolarHBondContact O-N 2.89Å; Q570-K572 VanDerWaalsContact OE1-CE 3.25Å
573A83.2Confident77.1Confident9 Ų962.4 Ų62.47%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-99.1141.8168.900000110.4V522 T523 C581 F638V522-A573 HydrophobicContact CG1-CB 3.87Å; T523-A573 CarbonylContact O-C 3.49Å; T523-A573 WeakPolarHBondContact O-CA 3.25Å; A573-C581 HydrophobicContact CB-CB 3.81Å; A573-F638 HydrophobicContact CB-CB 3.78Å; A573-F638 HydrophobicContact CB-CD1 3.45Å; A573-F638 VanDerWaalsContact CB-CD1 3.45Å; A573-F638 HydrophobicContact CB-CD2 3.93Å; A573-F638 HydrophobicContact CB-CE1 3.95Å; A573-F638 HydrophobicContact CB-CE2 4.38Å; A573-F638 HydrophobicContact CB-CG 3.43Å; A573-F638 VanDerWaalsContact CB-CG 3.43Å; A573-F638 HydrophobicContact CB-CZ 4.38Å
574T82Confident77.9Confident72 Ų7263.3 Ų63.344%0.44232%0.319SS..EExtended strand (participates in β ladder)trans-137.4121.6176-56.30000108.4V522 T523 G579V522-T574 WeakPolarHBondContact CA-O 3.36Å; T523-T574 PolarHBondContact N-O 3.06Å; T523-T574 PolarHBondContact O-N 3.26Å; T574-G579 WeakPolarHBondContact CG2-O 3.2Å
575H78.6Confident78.1Confident6 Ų651.9 Ų51.93%0.02828%0.279CS..EExtended strand (participates in β ladder)trans-90132.1178.7177.9-130.3000111.2G520 V522 Q577 T578 G579 C640G520-H575 WeakPolarHBondContact CA-NE2 3.25Å; V522-H575 HydrophobicContact CG2-CB 4.17Å; H575-Q577 PolarHBondContact O-N 3.27Å; H575-T578 WeakPolarHBondContact CB-OG1 3.11Å; H575-T578 PolarHBondContact ND1-N 2.75Å; H575-T578 PolarHBondContact ND1-OG1 3.18Å; H575-T578 PolarHBondContact O-N 3.02Å; H575-G579 WeakPolarHBondContact O-CA 3.25Å; H575-G579 PolarHBondContact O-N 2.71Å; H575-C640 HydrophobicContact CB-CB 3.84Å
576S75.5Confident78Confident73 Ų7353.4 Ų53.451%0.5128%0.28SS..THydrogen-bonded Turntrans-61.8-17.5-170.968.20000115.5S521S521-S576 PolarHBondContact N-OG 3.07Å; S521-S576 WeakPolarHBondContact O-CB 3.32Å; S521-S576 PolarHBondContact O-N 3.39Å; S521-S576 PolarHBondContact O-OG 2.86Å; S521-S576 WeakPolarHBondContact OG-CB 3.33Å
577Q68.3Low77.3Confident114 Ų11455.3 Ų55.353%0.53328%0.284SS..THydrogen-bonded Turntrans-111.3-37.2179.9-62-174.1-24.700113.8G519 H575G519-Q577 PolarHBondContact O-NE2 2.68Å; G519-Q577 PolarHBondContact O-OE1 2.85Å; H575-Q577 PolarHBondContact O-N 3.27Å
578T70.1Confident76.3Confident29 Ų2956.9 Ų56.918%0.17830%0.295CS..THydrogen-bonded Turntrans-99.3-13.3-174.959.90000113.3H575 N580 T642H575-T578 WeakPolarHBondContact CB-OG1 3.11Å; H575-T578 PolarHBondContact ND1-N 2.75Å; H575-T578 PolarHBondContact ND1-OG1 3.18Å; H575-T578 PolarHBondContact O-N 3.02Å; T578-N580 PolarHBondContact O-N 3.15Å; T578-N580 PolarHBondContact OG1-O 3.09Å; T578-T642 HydrophobicContact CG2-CG2 3.79Å
579G68.7Low75.1Confident38 Ų3855.8 Ų55.839%0.39229%0.289SS..  trans70.7-41.8-174.700000113.8T574 H575T574-G579 WeakPolarHBondContact CG2-O 3.2Å; H575-G579 WeakPolarHBondContact O-CA 3.25Å; H575-G579 PolarHBondContact O-N 2.71Å
580N71.3Confident73.5Confident119 Ų11962.7 Ų62.764%0.63633%0.326SS*.  trans-95.1134.1-170.9-62.7-10.6000112.2T578T578-N580 PolarHBondContact O-N 3.15Å; T578-N580 PolarHBondContact OG1-O 3.09Å
581C79.7Confident71.6Confident22 Ų2263.3 Ų63.315%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-135126.5162.5-58.60000108.5A573 F638 I639 C640A573-C581 HydrophobicContact CB-CB 3.81Å; C581-F638 HydrophobicContact CB-CB 4.38Å; C581-F638 HydrophobicContact CB-CD1 4.31Å; C581-I639 CarbonylContact C-O 3.56Å; C581-I639 VanDerWaalsContact CA-O 3.25Å; C581-I639 WeakPolarHBondContact CA-O 3.31Å; C581-C640 HydrophobicContact CB-CB 4.08Å; C581-C640 WeakPolarHBondContact CB-SG 3.43Å; C581-C640 WeakPolarHBondContact SG-CB 3.43Å; C581-C640 CovalentContact SG-SG 2.04Å; C581-C640 PolarHBondContact SG-SG 3.3Å
582E80.6Confident69.9Low82 Ų8271.1 Ų71.138%0.38337%0.368SS..EExtended strand (participates in β ladder)trans-85.9141.8178.1-66.5176.9152.200110.1R511 Y584 F638 I639R511-E582 IonicContact NH1-OE2 2.86Å; E582-Y584 HydrophobicContact CB-CD2 4.34Å; E582-Y584 HydrophobicContact CB-CE2 3.62Å; E582-Y584 PolarHBondContact OE2-OH 2.93Å; E582-F638 CarbonylContact O-C 3.56Å; E582-F638 VanDerWaalsContact O-CA 3.23Å; E582-F638 WeakPolarHBondContact O-CA 3.23Å; E582-I639 PolarHBondContact N-O 2.9Å; E582-I639 PolarHBondContact O-N 3.48Å
583S81.8Confident68.1Low26 Ų2666.4 Ų66.418%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-104.4134.3-177.9-3.30000111.5P596 C597 F638S583-P596 WeakPolarHBondContact O-CA 3.33Å; S583-C597 WeakPolarHBondContact CB-O 3.29Å; S583-C597 PolarHBondContact O-N 2.8Å; S583-C597 PolarHBondContact OG-O 3.1Å; S583-F638 WeakPolarHBondContact OG-CE1 3.39Å
584Y77.6Confident67.2Low45 Ų4569.7 Ų69.718%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-128.4120.1-175.6-73.8-88.1000109.7E582 F594 E595 P596 L636 I637 I639E582-Y584 HydrophobicContact CB-CD2 4.34Å; E582-Y584 HydrophobicContact CB-CE2 3.62Å; E582-Y584 PolarHBondContact OE2-OH 2.93Å; Y584-F594 HydrophobicContact CD1-CB 4.5Å; Y584-E595 CarbonylContact C-O 3.39Å; Y584-E595 WeakPolarHBondContact CA-O 3.34Å; Y584-P596 HydrophobicContact CD1-CG 4.42Å; Y584-P596 HydrophobicContact CE1-CG 3.92Å; Y584-L636 WeakPolarHBondContact O-CA 3.16Å; Y584-I637 PolarHBondContact N-O 3.34Å; Y584-I637 PolarHBondContact O-N 2.74Å; Y584-I639 HydrophobicContact CD2-CB 4.46Å; Y584-I639 HydrophobicContact CD2-CD1 3.8Å; Y584-I639 HydrophobicContact CD2-CG1 3.87Å; Y584-I639 HydrophobicContact CE2-CB 4.17Å; Y584-I639 HydrophobicContact CE2-CD1 3.61Å; Y584-I639 HydrophobicContact CE2-CG1 3.91Å
585C71.2Confident66.2Low17 Ų1769 Ų6912%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-112.6153.2-175.9-66.70000112F594 E595 C597 S635C585-F594 WeakPolarHBondContact O-CA 3.47Å; C585-E595 PolarHBondContact N-O 2.91Å; C585-E595 PolarHBondContact O-N 3.45Å; C585-C597 HydrophobicContact CB-CB 3.47Å; C585-C597 VanDerWaalsContact CB-CB 3.47Å; C585-C597 WeakPolarHBondContact CB-SG 3.33Å; C585-C597 PolarHBondContact N-SG 3.32Å; C585-C597 WeakPolarHBondContact SG-CB 3.36Å; C585-C597 CovalentContact SG-SG 2.03Å; C585-C597 PolarHBondContact SG-SG 2.86Å; C585-S635 WeakPolarHBondContact CA-O 3.45Å
586R67.6Low66.1Low45 Ų4573.6 Ų73.617%0.1739%0.387CS..  trans-88.4119.7169.7-167.9175.6-169.4-151.7-8.1110.9S588 K589 F591 F594 S633 S635R586-S588 WeakPolarHBondContact CG-O 3.08Å; R586-S588 PolarHBondContact NE-O 3.45Å; R586-K589 PolarHBondContact NH2-O 3.41Å; R586-F591 VanDerWaalsContact CZ-O 3.31Å; R586-F591 PolarHBondContact NE-O 3.01Å; R586-F591 PolarHBondContact NH2-O 3.08Å; R586-F594 HydrophobicContact CB-CD1 4.48Å; R586-F594 HydrophobicContact CB-CE1 4.31Å; R586-S633 PolarHBondContact NH1-OG 2.92Å; R586-S635 PolarHBondContact N-O 3.16Å
587R63Low66.2Low174 Ų17471.9 Ų71.966%0.65737%0.374SS*.  trans-70.9-37.4-174.7-162.4178.5-167.4143.4-5.6114.8F591 E595R587-F591 HydrophobicContact CB-CD1 3.98Å; R587-F591 HydrophobicContact CB-CE1 4.46Å; R587-F591 HydrophobicContact CB-CG 4.41Å; R587-E595 WeakPolarHBondContact CB-OE1 3.46Å; R587-E595 WeakPolarHBondContact CD-OE1 3.34Å; R587-E595 WeakPolarHBondContact CD-OE2 3.47Å; R587-E595 WeakPolarHBondContact CG-OE1 3.41Å; R587-E595 IonicContact CZ-OE1 3.61Å; R587-E595 IonicContact CZ-OE2 2.78Å; R587-E595 IonicContact NE-OE1 2.72Å; R587-E595 IonicContact NE-OE2 3.75Å; R587-E595 IonicContact NH1-OE1 2.64Å; R587-E595 IonicContact NH1-OE2 2.92Å; R587-E595 PolarHBondContact NH1-OE2 2.85Å
588S59.4Low66.8Low42 Ų4274.1 Ų74.129%0.29439%0.385SS..  trans-156.2172.6179.379.20000112.3R586 D590 F591R586-S588 WeakPolarHBondContact CG-O 3.08Å; R586-S588 PolarHBondContact NE-O 3.45Å; S588-D590 VanDerWaalsContact C-N 3.27Å; S588-D590 PolarHBondContact O-N 3.36Å; S588-D590 PolarHBondContact OG-N 3.24Å; S588-F591 WeakPolarHBondContact OG-CB 3.49Å; S588-F591 PolarHBondContact OG-N 3.4Å; S588-F591 VanDerWaalsContact OG-N 3.13Å
589K55.5Low67.4Low74 Ų7472.8 Ų72.832%0.32238%0.377SS..SBendtrans-66.2-30.4177.7-64166-174.51780112.9R586 L612R586-K589 PolarHBondContact NH2-O 3.41Å; K589-L612 HydrophobicContact CD-CB 3.92Å; K589-L612 WeakPolarHBondContact CE-O 3.4Å; K589-L612 HydrophobicContact CG-CB 4.43Å; K589-L612 PolarHBondContact NZ-O 2.98Å
590D50.6Low68.1Low145 Ų14575.4 Ų75.478%0.77538%0.379SS*.SBendtrans-94.1-17.2-175.3-43.8-67.2000111.6S588 I592S588-D590 VanDerWaalsContact C-N 3.27Å; S588-D590 PolarHBondContact O-N 3.36Å; S588-D590 PolarHBondContact OG-N 3.24Å; D590-I592 PolarHBondContact O-N 3.34Å
591F46.5Very low68.5Low81 Ų8170 Ų7036%0.35535%0.349SS..  trans-75118174.6-172.6-118.5000111.1R586 R587 S588 G593R586-F591 VanDerWaalsContact CZ-O 3.31Å; R586-F591 PolarHBondContact NE-O 3.01Å; R586-F591 PolarHBondContact NH2-O 3.08Å; R587-F591 HydrophobicContact CB-CD1 3.98Å; R587-F591 HydrophobicContact CB-CE1 4.46Å; R587-F591 HydrophobicContact CB-CG 4.41Å; S588-F591 WeakPolarHBondContact OG-CB 3.49Å; S588-F591 PolarHBondContact OG-N 3.4Å; S588-F591 VanDerWaalsContact OG-N 3.13Å; F591-G593 VanDerWaalsContact CD1-O 3.29Å; F591-G593 WeakPolarHBondContact CD1-O 3.36Å; F591-G593 WeakPolarHBondContact CE1-O 3.46Å; F591-G593 PolarHBondContact O-N 3.39Å
592I51Low68.5Low166 Ų16671.8 Ų71.885%0.85136%0.36SS*.  trans-96.777.5173.3-55.7172.3000107.7D590D590-I592 PolarHBondContact O-N 3.34Å
593G47.9Very low68.5Low16 Ų1668 Ų6817%0.16534%0.342CS..SBendtrans177.2177.5-178.200000112.2F591F591-G593 VanDerWaalsContact CD1-O 3.29Å; F591-G593 WeakPolarHBondContact CD1-O 3.36Å; F591-G593 WeakPolarHBondContact CE1-O 3.46Å; F591-G593 PolarHBondContact O-N 3.39Å
594F64.4Low68.1Low77 Ų7769.6 Ų69.634%0.33835%0.351SS..  trans-132.1146.7172.1-66.4-96.6000109.5Y584 C585 R586 G634 I637Y584-F594 HydrophobicContact CD1-CB 4.5Å; C585-F594 WeakPolarHBondContact O-CA 3.47Å; R586-F594 HydrophobicContact CB-CD1 4.48Å; R586-F594 HydrophobicContact CB-CE1 4.31Å; F594-G634 WeakPolarHBondContact CE1-O 3.31Å; F594-G634 VanDerWaalsContact CZ-O 3.26Å; F594-G634 WeakPolarHBondContact CZ-O 3.23Å; F594-I637 HydrophobicContact CD1-CD1 4.22Å; F594-I637 HydrophobicContact CD1-CG1 4.39Å; F594-I637 HydrophobicContact CD2-CD1 4.25Å; F594-I637 HydrophobicContact CE1-CD1 3.69Å; F594-I637 HydrophobicContact CE1-CG1 3.84Å; F594-I637 HydrophobicContact CE2-CD1 3.73Å; F594-I637 HydrophobicContact CG-CD1 4.49Å; F594-I637 HydrophobicContact CZ-CD1 3.42Å; F594-I637 VanDerWaalsContact CZ-CD1 3.42Å; F594-I637 HydrophobicContact CZ-CG1 4.04Å
595E60.8Low67.8Low57 Ų5769.3 Ų69.327%0.26635%0.352SS..EExtended strand (participates in β ladder)trans-124.2151.217462.1-170.8-175.700110.5Y584 C585 R587 C597Y584-E595 CarbonylContact C-O 3.39Å; Y584-E595 WeakPolarHBondContact CA-O 3.34Å; C585-E595 PolarHBondContact N-O 2.91Å; C585-E595 PolarHBondContact O-N 3.45Å; R587-E595 WeakPolarHBondContact CB-OE1 3.46Å; R587-E595 WeakPolarHBondContact CD-OE1 3.34Å; R587-E595 WeakPolarHBondContact CD-OE2 3.47Å; R587-E595 WeakPolarHBondContact CG-OE1 3.41Å; R587-E595 IonicContact CZ-OE1 3.61Å; R587-E595 IonicContact CZ-OE2 2.78Å; R587-E595 IonicContact NE-OE1 2.72Å; R587-E595 IonicContact NE-OE2 3.75Å; R587-E595 IonicContact NH1-OE1 2.64Å; R587-E595 IonicContact NH1-OE2 2.92Å; R587-E595 PolarHBondContact NH1-OE2 2.85Å; E595-C597 PolarHBondContact O-N 3.34Å
596P76.2Confident67.3Low104 Ų10472.5 Ų72.568%0.67537%0.37SS*.EExtended strand (participates in β ladder)trans-53.4134.5171.8-25.834.9000111.4S583 Y584S583-P596 WeakPolarHBondContact O-CA 3.33Å; Y584-P596 HydrophobicContact CD1-CG 4.42Å; Y584-P596 HydrophobicContact CE1-CG 3.92Å
597C77.7Confident66.4Low37 Ų3777.8 Ų77.825%0.2540%0.395CS..  trans-147.1166-175.268.30000112.8S583 C585 E595 A599S583-C597 WeakPolarHBondContact CB-O 3.29Å; S583-C597 PolarHBondContact O-N 2.8Å; S583-C597 PolarHBondContact OG-O 3.1Å; C585-C597 HydrophobicContact CB-CB 3.47Å; C585-C597 VanDerWaalsContact CB-CB 3.47Å; C585-C597 WeakPolarHBondContact CB-SG 3.33Å; C585-C597 PolarHBondContact N-SG 3.32Å; C585-C597 WeakPolarHBondContact SG-CB 3.36Å; C585-C597 CovalentContact SG-SG 2.03Å; C585-C597 PolarHBondContact SG-SG 2.86Å; E595-C597 PolarHBondContact O-N 3.34Å; C597-A599 PolarHBondContact O-N 3.4Å
598E82Confident65.4Low161 Ų16173.7 Ų73.775%0.75239%0.389SS*.  trans-79.93.6178.3-56.5-168.5139.600114.3E600E598-E600 PolarHBondContact O-N 2.92Å; E598-E600 VanDerWaalsContact O-N 3.15Å
599A83Confident64.3Low1 Ų180.9 Ų80.91%0.00841%0.41CS..  trans52.829.5-176.700000115.2I571 C597 L636 F638I571-A599 PolarHBondContact N-O 3.22Å; I571-A599 WeakPolarHBondContact O-CB 3.22Å; C597-A599 PolarHBondContact O-N 3.4Å; A599-L636 HydrophobicContact CB-CD1 3.84Å; A599-L636 HydrophobicContact CB-CD2 4.24Å; A599-F638 HydrophobicContact CB-CE1 4.18Å; A599-F638 HydrophobicContact CB-CZ 3.7Å
600E83.4Confident63.7Low92 Ų9281 Ų8143%0.4343%0.432SS..EExtended strand (participates in β ladder)trans-88.5120.7165.6-168.7-179.8155.800109.9Q568 V569 E598Q568-E600 PolarHBondContact NE2-OE1 3.15Å; V569-E600 WeakPolarHBondContact O-CA 3.12Å; E598-E600 PolarHBondContact O-N 2.92Å; E598-E600 VanDerWaalsContact O-N 3.15Å
601I79.8Confident63.4Low5 Ų579.9 Ų79.93%0.02642%0.422CS..EExtended strand (participates in β ladder)trans-120142.718070.6168.2000109.7I504 V569 I571 L603 F615I504-I601 HydrophobicContact CD1-CD1 3.75Å; V569-I601 HydrophobicContact CB-CD1 4.29Å; V569-I601 HydrophobicContact CB-CG1 3.67Å; V569-I601 HydrophobicContact CG1-CG1 4.48Å; V569-I601 HydrophobicContact CG2-CD1 4.42Å; V569-I601 HydrophobicContact CG2-CG1 4.03Å; V569-I601 PolarHBondContact N-O 2.91Å; V569-I601 PolarHBondContact O-N 3.49Å; I571-I601 HydrophobicContact CD1-CD1 3.89Å; I571-I601 HydrophobicContact CD1-CG1 4.35Å; I601-L603 HydrophobicContact CD1-CD2 4.39Å; I601-F615 HydrophobicContact CB-CD1 4.25Å; I601-F615 HydrophobicContact CB-CD2 3.97Å; I601-F615 HydrophobicContact CB-CE1 4.14Å; I601-F615 HydrophobicContact CB-CE2 3.85Å; I601-F615 HydrophobicContact CB-CG 4.18Å; I601-F615 HydrophobicContact CB-CZ 3.96Å; I601-F615 HydrophobicContact CD1-CB 4.44Å; I601-F615 HydrophobicContact CD1-CD1 3.8Å; I601-F615 HydrophobicContact CD1-CE1 4.27Å; I601-F615 HydrophobicContact CD1-CG 4.04Å; I601-F615 HydrophobicContact CG2-CD1 4.07Å; I601-F615 HydrophobicContact CG2-CD2 4.27Å; I601-F615 HydrophobicContact CG2-CE1 3.5Å; I601-F615 HydrophobicContact CG2-CE2 3.73Å; I601-F615 HydrophobicContact CG2-CG 4.43Å; I601-F615 HydrophobicContact CG2-CZ 3.32Å
602T79.6Confident63.6Low60 Ų6080 Ų8037%0.36843%0.426SS..EExtended strand (participates in β ladder)trans-113.3116.2175.2-63.80000109.6K566 T604K566-T602 HydrophobicContact CB-CG2 4.46Å; K566-T602 HydrophobicContact CD-CG2 4.33Å; T602-T604 HydrophobicContact CG2-CG2 4.15Å
603L78.8Confident64Low2 Ų274.5 Ų74.51%0.0140%0.397CS..EExtended strand (participates in β ladder)trans-84.2136.9167.2-54.2-172.7000109V502 I504 V557 P560 K566 T567 V569 I601 F615 Y617V502-L603 HydrophobicContact CG2-CD1 4.49Å; I504-L603 HydrophobicContact CG2-CD1 3.96Å; I504-L603 HydrophobicContact CG2-CD2 4.29Å; V557-L603 HydrophobicContact CG2-CD1 3.53Å; P560-L603 HydrophobicContact CG-CB 3.53Å; K566-L603 CarbonylContact C-O 3.19Å; K566-L603 VanDerWaalsContact CA-O 3.26Å; K566-L603 WeakPolarHBondContact CA-O 3.32Å; T567-L603 PolarHBondContact N-O 2.91Å; T567-L603 PolarHBondContact O-N 3.39Å; V569-L603 HydrophobicContact CG2-CD1 4.48Å; V569-L603 HydrophobicContact CG2-CG 4.34Å; I601-L603 HydrophobicContact CD1-CD2 4.39Å; L603-F615 HydrophobicContact CD2-CB 3.57Å; L603-Y617 HydrophobicContact CB-CD1 4.22Å; L603-Y617 HydrophobicContact CB-CE1 4.25Å; L603-Y617 HydrophobicContact CD1-CD1 4.05Å; L603-Y617 HydrophobicContact CD1-CG 4.33Å; L603-Y617 HydrophobicContact CD2-CD1 4.13Å; L603-Y617 HydrophobicContact CG-CD1 4.37Å
604T74.8Confident64.7Low61 Ų6176.7 Ų76.737%0.37441%0.405SS..EExtended strand (participates in β ladder)trans-120.9143.7179.553.40000110.2K566 T602 T606 Y617K566-T604 HydrophobicContact CG-CG2 4.29Å; T602-T604 HydrophobicContact CG2-CG2 4.15Å; T604-T606 PolarHBondContact O-N 3.31Å; T604-T606 VanDerWaalsContact O-N 3.16Å; T604-Y617 PolarHBondContact O-OH 2.71Å; T604-Y617 VanDerWaalsContact O-OH 3.1Å
605E70.7Confident65.1Low39 Ų3974.9 Ų74.918%0.18240%0.397CS..  trans-67.2113.9171.7-174-173.3-171.400109.1P560 R561 G565 K607P560-E605 HydrophobicContact CB-CB 4.1Å; R561-E605 HydrophobicContact CG-CG 3.94Å; R561-E605 WeakPolarHBondContact CG-OE1 3.36Å; R561-E605 IonicContact NE-OE1 3.25Å; R561-E605 PolarHBondContact NE-OE1 3.17Å; G565-E605 PolarHBondContact O-N 3.4Å; E605-K607 HydrophobicContact CG-CG 4.44Å; E605-K607 PolarHBondContact O-N 2.92Å; E605-K607 WeakPolarHBondContact OE2-CE 3.39Å; E605-K607 IonicContact OE2-NZ 3.18Å; E605-K607 PolarHBondContact OE2-NZ 2.86Å
606T60.5Low65.7Low83 Ų8373.5 Ų73.551%0.50939%0.393SS..  trans-61.696.3179.750.90000111.5T604 M613T604-T606 PolarHBondContact O-N 3.31Å; T604-T606 VanDerWaalsContact O-N 3.16Å; T606-M613 HydrophobicContact CG2-CE 3.74Å; T606-M613 HydrophobicContact CG2-CG 3.8Å; T606-M613 HydrophobicContact CG2-SD 3.36Å; T606-M613 WeakPolarHBondContact CG2-SD 3.44Å
607K49.9Very low66Low157 Ų15769.2 Ų69.268%0.68336%0.363SS*.  trans-105.6-6.9177.6-81.9171.1163.7150.90113.8E605E605-K607 HydrophobicContact CG-CG 4.44Å; E605-K607 PolarHBondContact O-N 2.92Å; E605-K607 WeakPolarHBondContact OE2-CE 3.39Å; E605-K607 IonicContact OE2-NZ 3.18Å; E605-K607 PolarHBondContact OE2-NZ 2.86Å
608T40.9Very low66Low88 Ų8867.7 Ų67.754%0.5435%0.353SS..SBendtrans-121.8120.6-172.629.20000112.1G610 E611T608-G610 PolarHBondContact O-N 3.19Å; T608-G610 VanDerWaalsContact O-N 3.13Å; T608-E611 PolarHBondContact OG1-OE2 3.43Å
609R36.9Very low65.7Low193 Ų19361.8 Ų61.873%0.72833%0.33SS*.THydrogen-bonded Turntrans-75.196.3-178.7-164.8-175-162.9-176.27109.6N491N491-R609 PolarHBondContact ND2-NE 3.33Å; N491-R609 PolarHBondContact O-NH2 3.42Å
610G42.5Very low65.2Low76 Ų7667.5 Ų67.578%0.78435%0.354SS*.THydrogen-bonded Turntrans141.1-15.6174.600000115.7T608 L612T608-G610 PolarHBondContact O-N 3.19Å; T608-G610 VanDerWaalsContact O-N 3.13Å; G610-L612 PolarHBondContact O-N 3.35Å
611E44.4Very low64.4Low122 Ų12265.2 Ų65.257%0.5735%0.347SS*.  trans-84107.8175.9-71.5-177.8105.900111.4T608 M613T608-E611 PolarHBondContact OG1-OE2 3.43Å; E611-M613 PolarHBondContact O-N 2.86Å
612L51.2Low63.8Low82 Ų8267.6 Ų67.643%0.42936%0.364SS..  trans-46.3137.3158.5-110.975.8000109.6K589 G610 F631K589-L612 HydrophobicContact CD-CB 3.92Å; K589-L612 WeakPolarHBondContact CE-O 3.4Å; K589-L612 HydrophobicContact CG-CB 4.43Å; K589-L612 PolarHBondContact NZ-O 2.98Å; G610-L612 PolarHBondContact O-N 3.35Å; L612-F631 HydrophobicContact CD1-CE1 3.9Å; L612-F631 HydrophobicContact CD1-CZ 4Å; L612-F631 HydrophobicContact CD2-CD1 3.73Å; L612-F631 HydrophobicContact CD2-CE1 3.68Å; L612-F631 HydrophobicContact CD2-CZ 4.43Å; L612-F631 HydrophobicContact CG-CD1 4.34Å; L612-F631 HydrophobicContact CG-CE1 3.97Å; L612-F631 HydrophobicContact CG-CZ 4.23Å
613M58.5Low63.3Low51 Ų5167.7 Ų67.725%0.25136%0.362SS..  trans-83.8134.2169.9-71.9-153.9-72.300110.6T606 E611 F615 Y617T606-M613 HydrophobicContact CG2-CE 3.74Å; T606-M613 HydrophobicContact CG2-CG 3.8Å; T606-M613 HydrophobicContact CG2-SD 3.36Å; T606-M613 WeakPolarHBondContact CG2-SD 3.44Å; E611-M613 PolarHBondContact O-N 2.86Å; M613-F615 VanDerWaalsContact C-N 3.27Å; M613-Y617 HydrophobicContact CE-CD1 3.56Å; M613-Y617 HydrophobicContact CE-CE1 3.4Å; M613-Y617 HydrophobicContact CE-CG 4.27Å; M613-Y617 HydrophobicContact SD-CD1 4.01Å; M613-Y617 HydrophobicContact SD-CE1 3.51Å; M613-Y617 VanDerWaalsContact SD-CE1 3.51Å
614L62.7Low62.9Low63 Ų6367.6 Ų67.633%0.3336%0.362SS..SBendtrans-62.8-36.6170.3-93.3148.7000111.1S635L614-S635 WeakPolarHBondContact O-CB 3.41Å; L614-S635 PolarHBondContact O-OG 2.89Å
615F72.5Confident62.5Low38 Ų3864.7 Ų64.717%0.16734%0.344CS..SBendtrans-120.3100177.1-66.4-81.2000109.3I601 L603 M613 L636I601-F615 HydrophobicContact CB-CD1 4.25Å; I601-F615 HydrophobicContact CB-CD2 3.97Å; I601-F615 HydrophobicContact CB-CE1 4.14Å; I601-F615 HydrophobicContact CB-CE2 3.85Å; I601-F615 HydrophobicContact CB-CG 4.18Å; I601-F615 HydrophobicContact CB-CZ 3.96Å; I601-F615 HydrophobicContact CD1-CB 4.44Å; I601-F615 HydrophobicContact CD1-CD1 3.8Å; I601-F615 HydrophobicContact CD1-CE1 4.27Å; I601-F615 HydrophobicContact CD1-CG 4.04Å; I601-F615 HydrophobicContact CG2-CD1 4.07Å; I601-F615 HydrophobicContact CG2-CD2 4.27Å; I601-F615 HydrophobicContact CG2-CE1 3.5Å; I601-F615 HydrophobicContact CG2-CE2 3.73Å; I601-F615 HydrophobicContact CG2-CG 4.43Å; I601-F615 HydrophobicContact CG2-CZ 3.32Å; L603-F615 HydrophobicContact CD2-CB 3.57Å; M613-F615 VanDerWaalsContact C-N 3.27Å; F615-L636 HydrophobicContact CE1-CB 4.02Å
616P74.9Confident62.1Low28 Ų2866.1 Ų66.118%0.18235%0.353CS..  trans-65.9142176.728.4-34.1000110L624 M627P616-L624 HydrophobicContact CB-CD1 4.12Å; P616-L624 HydrophobicContact CG-CD1 4.36Å; P616-L624 VanDerWaalsContact O-CD1 3.3Å; P616-L624 WeakPolarHBondContact O-CD1 3.47Å; P616-M627 HydrophobicContact CB-CB 4.3Å; P616-M627 HydrophobicContact CB-CE 3.81Å; P616-M627 HydrophobicContact CB-SD 4.42Å
617Y81.6Confident62.3Low14 Ų1465.1 Ų65.16%0.05534%0.343CS..  trans-140.1148.6173.866.9-101.9000110.6V502 W503 P560 L603 T604 M613V502-Y617 HydrophobicContact CB-CD2 3.87Å; V502-Y617 HydrophobicContact CB-CG 4.45Å; V502-Y617 HydrophobicContact CG1-CD2 3.79Å; V502-Y617 HydrophobicContact CG1-CE2 4.26Å; V502-Y617 HydrophobicContact CG2-CD2 3.77Å; V502-Y617 HydrophobicContact CG2-CG 4.06Å; W503-Y617 WeakPolarHBondContact O-CA 3.3Å; W503-Y617 WeakPolarHBondContact O-CB 3.36Å; P560-Y617 HydrophobicContact CG-CE1 3.97Å; L603-Y617 HydrophobicContact CB-CD1 4.22Å; L603-Y617 HydrophobicContact CB-CE1 4.25Å; L603-Y617 HydrophobicContact CD1-CD1 4.05Å; L603-Y617 HydrophobicContact CD1-CG 4.33Å; L603-Y617 HydrophobicContact CD2-CD1 4.13Å; L603-Y617 HydrophobicContact CG-CD1 4.37Å; T604-Y617 PolarHBondContact O-OH 2.71Å; T604-Y617 VanDerWaalsContact O-OH 3.1Å; M613-Y617 HydrophobicContact CE-CD1 3.56Å; M613-Y617 HydrophobicContact CE-CE1 3.4Å; M613-Y617 HydrophobicContact CE-CG 4.27Å; M613-Y617 HydrophobicContact SD-CD1 4.01Å; M613-Y617 HydrophobicContact SD-CE1 3.51Å; M613-Y617 VanDerWaalsContact SD-CE1 3.51Å
618A78.3Confident62.9Low5 Ų558.4 Ų58.44%0.04131%0.314CS..BIsolated β-bridgetrans-149.7158.4175.800000112.3W503 K620 D623 L624 M627W503-A618 PolarHBondContact N-O 3.39Å; W503-A618 PolarHBondContact O-N 2.56Å; W503-A618 VanDerWaalsContact O-N 3.15Å; A618-K620 PolarHBondContact O-N 3.18Å; A618-D623 HydrophobicContact CB-CB 3.97Å; A618-L624 HydrophobicContact CB-CB 4.06Å; A618-M627 HydrophobicContact CB-SD 4.3Å
619S74.5Confident63.6Low37 Ų3760 Ų6026%0.25931%0.314SS..SBendtrans-69.4-17.1175.851.40000113.8T499T499-S619 WeakPolarHBondContact OG1-CB 3.31Å
620K72.7Confident64.2Low121 Ų12157.6 Ų57.653%0.52631%0.31SS..SBendtrans-126.7138.4174.8-55.3178.8-171.8165.70110.8A618 S622 D623 L624A618-K620 PolarHBondContact O-N 3.18Å; K620-S622 WeakPolarHBondContact CB-OG 3.5Å; K620-S622 PolarHBondContact O-N 3.23Å; K620-D623 HydrophobicContact CB-CB 4.39Å; K620-D623 PolarHBondContact O-N 3.24Å; K620-D623 VanDerWaalsContact O-N 3.08Å; K620-L624 PolarHBondContact O-N 3.37Å; K620-L624 VanDerWaalsContact O-N 3.13Å
621V67.5Low64.6Low45 Ų4558.6 Ų58.627%0.27329%0.293SS..Hα-helixtrans-59.4-31.9173.2-177.90000111.6W503 P554 D623 V625W503-V621 HydrophobicContact CB-CG2 4.16Å; W503-V621 HydrophobicContact CD2-CG2 3.6Å; W503-V621 HydrophobicContact CE3-CG2 4Å; W503-V621 HydrophobicContact CG-CG2 3.66Å; P554-V621 HydrophobicContact CB-CG1 4.17Å; P554-V621 HydrophobicContact CB-CG2 4.04Å; V621-D623 VanDerWaalsContact C-N 3.3Å; V621-D623 PolarHBondContact O-N 2.96Å; V621-V625 HydrophobicContact CG1-CG2 4.27Å; V621-V625 WeakPolarHBondContact O-CB 3.41Å; V621-V625 WeakPolarHBondContact O-CG2 3.14Å; V621-V625 PolarHBondContact O-N 3.31Å
622S65.9Low64.8Low54 Ų5456.3 Ų56.338%0.37829%0.289SS..Hα-helixtrans-58.4-41.5173.953.60000113.2K620 N626K620-S622 WeakPolarHBondContact CB-OG 3.5Å; K620-S622 PolarHBondContact O-N 3.23Å; S622-N626 VanDerWaalsContact O-CG 3.29Å; S622-N626 PolarHBondContact O-N 3.32Å; S622-N626 PolarHBondContact O-ND2 2.61Å
623D69.6Low64.6Low62 Ų6254.3 Ų54.333%0.33228%0.282SS..Hα-helixtrans-79.8-40.5-172-54.9-6.4000108.4A618 K620 V621 V625 N626 M627A618-D623 HydrophobicContact CB-CB 3.97Å; K620-D623 HydrophobicContact CB-CB 4.39Å; K620-D623 PolarHBondContact O-N 3.24Å; K620-D623 VanDerWaalsContact O-N 3.08Å; V621-D623 VanDerWaalsContact C-N 3.3Å; V621-D623 PolarHBondContact O-N 2.96Å; D623-V625 VanDerWaalsContact C-N 3.34Å; D623-V625 PolarHBondContact O-N 2.96Å; D623-N626 CarbonylContact O-C 3.43Å; D623-N626 WeakPolarHBondContact O-CA 3.39Å; D623-N626 WeakPolarHBondContact O-CB 3.42Å; D623-N626 PolarHBondContact O-N 3.05Å; D623-N626 VanDerWaalsContact O-N 3.09Å; D623-M627 WeakPolarHBondContact O-CG 3.21Å; D623-M627 PolarHBondContact O-N 2.79Å
624L70.3Confident64.5Low0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-57.2-43.8169.8-174.866.7000112.7W503 I505 P616 A618 K620 N626 M627 E628W503-L624 HydrophobicContact CB-CD2 3.91Å; W503-L624 WeakPolarHBondContact O-CD2 3.48Å; I505-L624 HydrophobicContact CD1-CD2 3.64Å; I505-L624 HydrophobicContact CD1-CG 3.66Å; I505-L624 HydrophobicContact CG1-CD2 3.64Å; I505-L624 HydrophobicContact CG1-CG 4.22Å; P616-L624 HydrophobicContact CB-CD1 4.12Å; P616-L624 HydrophobicContact CG-CD1 4.36Å; P616-L624 VanDerWaalsContact O-CD1 3.3Å; P616-L624 WeakPolarHBondContact O-CD1 3.47Å; A618-L624 HydrophobicContact CB-CB 4.06Å; K620-L624 PolarHBondContact O-N 3.37Å; K620-L624 VanDerWaalsContact O-N 3.13Å; L624-N626 VanDerWaalsContact C-N 3.31Å; L624-N626 PolarHBondContact O-N 3.39Å; L624-M627 WeakPolarHBondContact O-CB 3.23Å; L624-M627 PolarHBondContact O-N 2.65Å; L624-E628 PolarHBondContact O-N 3.16Å
625V65.7Low64.5Low0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-64.5-36.6174.6167.10000111.5H545 A547 L548 V621 D623 M627 E628 K629H545-V625 HydrophobicContact CB-CG2 4.36Å; A547-V625 HydrophobicContact CB-CG1 3.87Å; L548-V625 HydrophobicContact CD1-CG2 4.03Å; L548-V625 HydrophobicContact CD2-CG2 4.1Å; L548-V625 HydrophobicContact CG-CG2 4.17Å; V621-V625 HydrophobicContact CG1-CG2 4.27Å; V621-V625 WeakPolarHBondContact O-CB 3.41Å; V621-V625 WeakPolarHBondContact O-CG2 3.14Å; V621-V625 PolarHBondContact O-N 3.31Å; D623-V625 VanDerWaalsContact C-N 3.34Å; D623-V625 PolarHBondContact O-N 2.96Å; V625-M627 VanDerWaalsContact C-N 3.31Å; V625-E628 PolarHBondContact O-N 3.28Å; V625-K629 WeakPolarHBondContact O-CG 3.31Å; V625-K629 PolarHBondContact O-N 3.45Å
626N62.7Low64.6Low70 Ų7048.1 Ų48.137%0.37426%0.255SS..Hα-helixtrans-68.8-30.2173.9-69.8-30.8000112.4S622 D623 L624 K629 Q630S622-N626 VanDerWaalsContact O-CG 3.29Å; S622-N626 PolarHBondContact O-N 3.32Å; S622-N626 PolarHBondContact O-ND2 2.61Å; D623-N626 CarbonylContact O-C 3.43Å; D623-N626 WeakPolarHBondContact O-CA 3.39Å; D623-N626 WeakPolarHBondContact O-CB 3.42Å; D623-N626 PolarHBondContact O-N 3.05Å; D623-N626 VanDerWaalsContact O-N 3.09Å; L624-N626 VanDerWaalsContact C-N 3.31Å; L624-N626 PolarHBondContact O-N 3.39Å; N626-K629 PolarHBondContact O-N 2.78Å; N626-K629 PolarHBondContact OD1-NZ 3.34Å; N626-Q630 WeakPolarHBondContact O-CG 3.44Å; N626-Q630 PolarHBondContact O-N 3.12Å
627M64.7Low64.7Low61 Ų6147.9 Ų47.930%0.325%0.252SS..Hα-helixtrans-68.5-43170.5-64.2169.679.300111.7P616 A618 D623 L624 V625 K629 Q630 F631P616-M627 HydrophobicContact CB-CB 4.3Å; P616-M627 HydrophobicContact CB-CE 3.81Å; P616-M627 HydrophobicContact CB-SD 4.42Å; A618-M627 HydrophobicContact CB-SD 4.3Å; D623-M627 WeakPolarHBondContact O-CG 3.21Å; D623-M627 PolarHBondContact O-N 2.79Å; L624-M627 WeakPolarHBondContact O-CB 3.23Å; L624-M627 PolarHBondContact O-N 2.65Å; V625-M627 VanDerWaalsContact C-N 3.31Å; M627-K629 VanDerWaalsContact C-N 3.32Å; M627-K629 PolarHBondContact O-N 2.68Å; M627-Q630 PolarHBondContact O-N 3.28Å; M627-F631 PolarHBondContact O-N 3.37Å
628E62.1Low64.5Low17 Ų1747.3 Ų47.38%0.07925%0.25CC..Hα-helixtrans-61.2-35.2172.6-92.6-97.9-169.900112.5I505 L548 L624 V625 Q630 F631 P632 G634I505-E628 HydrophobicContact CD1-CG 3.82Å; L548-E628 HydrophobicContact CD2-CG 4.46Å; L624-E628 PolarHBondContact O-N 3.16Å; V625-E628 PolarHBondContact O-N 3.28Å; E628-Q630 VanDerWaalsContact C-N 3.26Å; E628-Q630 PolarHBondContact O-N 3.11Å; E628-F631 CarbonylContact O-C 3.1Å; E628-F631 PolarHBondContact O-N 2.95Å; E628-P632 WeakPolarHBondContact O-CA 3.39Å; E628-P632 WeakPolarHBondContact O-CB 3.45Å; E628-G634 WeakPolarHBondContact OE1-CA 3.32Å
629K56Low64.4Low122 Ų12249 Ų4953%0.5326%0.258SS..Hα-helixtrans-60.9-34.5171.3-70.3173.1-168.6165.40113A547 V625 N626 M627A547-K629 HydrophobicContact CB-CG 3.77Å; V625-K629 WeakPolarHBondContact O-CG 3.31Å; V625-K629 PolarHBondContact O-N 3.45Å; N626-K629 PolarHBondContact O-N 2.78Å; N626-K629 PolarHBondContact OD1-NZ 3.34Å; M627-K629 VanDerWaalsContact C-N 3.32Å; M627-K629 PolarHBondContact O-N 2.68Å
630Q49.3Very low64.4Low141 Ų14147.2 Ų47.266%0.65925%0.245SC*.Hα-helixtrans-82.9-32.6179.2-66.8175.85.100111.9N626 M627 E628N626-Q630 WeakPolarHBondContact O-CG 3.44Å; N626-Q630 PolarHBondContact O-N 3.12Å; M627-Q630 PolarHBondContact O-N 3.28Å; E628-Q630 VanDerWaalsContact C-N 3.26Å; E628-Q630 PolarHBondContact O-N 3.11Å
631F51.4Low64.1Low97 Ų9742 Ų4243%0.42523%0.226SC..SBendtrans-133.475.4-178.7-57.1-74.3000110.6L612 M627 E628 S633L612-F631 HydrophobicContact CD1-CE1 3.9Å; L612-F631 HydrophobicContact CD1-CZ 4Å; L612-F631 HydrophobicContact CD2-CD1 3.73Å; L612-F631 HydrophobicContact CD2-CE1 3.68Å; L612-F631 HydrophobicContact CD2-CZ 4.43Å; L612-F631 HydrophobicContact CG-CD1 4.34Å; L612-F631 HydrophobicContact CG-CE1 3.97Å; L612-F631 HydrophobicContact CG-CZ 4.23Å; M627-F631 PolarHBondContact O-N 3.37Å; E628-F631 CarbonylContact O-C 3.1Å; E628-F631 PolarHBondContact O-N 2.95Å; F631-S633 PolarHBondContact O-N 2.87Å
632P48.7Very low63.6Low74 Ų7442.1 Ų42.148%0.48123%0.227SC..  trans-78.443.8-171.633-38.4000113.1E628E628-P632 WeakPolarHBondContact O-CA 3.39Å; E628-P632 WeakPolarHBondContact O-CB 3.45Å
633S47.5Very low62.9Low40 Ų4044.9 Ų44.928%0.2824%0.237SC..  trans-117.576.9175.461.40000108.3R586 F631 S635R586-S633 PolarHBondContact NH1-OG 2.92Å; F631-S633 PolarHBondContact O-N 2.87Å; S633-S635 PolarHBondContact O-N 3.13Å; S633-S635 VanDerWaalsContact O-N 3.08Å; S633-S635 PolarHBondContact O-OG 2.87Å
634G55.2Low61.5Low11 Ų1146.9 Ų46.911%0.11326%0.257CS..  trans-57.8113.3172.400000110F594 E628 L636F594-G634 WeakPolarHBondContact CE1-O 3.31Å; F594-G634 VanDerWaalsContact CZ-O 3.26Å; F594-G634 WeakPolarHBondContact CZ-O 3.23Å; E628-G634 WeakPolarHBondContact OE1-CA 3.32Å; G634-L636 VanDerWaalsContact C-N 3.27Å; G634-L636 PolarHBondContact O-N 3.1Å
635S63.1Low59.8Low8 Ų850.2 Ų50.26%0.05628%0.284CS..SBendtrans-80.8-0.4-163.7-63.90000115.8C585 R586 L614 S633C585-S635 WeakPolarHBondContact CA-O 3.45Å; R586-S635 PolarHBondContact N-O 3.16Å; L614-S635 WeakPolarHBondContact O-CB 3.41Å; L614-S635 PolarHBondContact O-OG 2.89Å; S633-S635 PolarHBondContact O-N 3.13Å; S633-S635 VanDerWaalsContact O-N 3.08Å; S633-S635 PolarHBondContact O-OG 2.87Å
636L75Confident58Low4 Ų456.3 Ų56.32%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-137.8126.4172.3179.566.4000109.5V506 N507 I571 Y584 A599 F615 G634 F638V506-L636 HydrophobicContact CG1-CD2 4.5Å; N507-L636 PolarHBondContact N-O 3.46Å; I571-L636 HydrophobicContact CB-CD2 3.96Å; I571-L636 HydrophobicContact CD1-CD2 3.76Å; I571-L636 HydrophobicContact CG1-CD2 4.31Å; I571-L636 HydrophobicContact CG2-CD2 4.19Å; Y584-L636 WeakPolarHBondContact O-CA 3.16Å; A599-L636 HydrophobicContact CB-CD1 3.84Å; A599-L636 HydrophobicContact CB-CD2 4.24Å; F615-L636 HydrophobicContact CE1-CB 4.02Å; G634-L636 VanDerWaalsContact C-N 3.27Å; G634-L636 PolarHBondContact O-N 3.1Å; L636-F638 HydrophobicContact CD1-CE2 4.25Å; L636-F638 HydrophobicContact CD1-CZ 4.4Å; L636-F638 HydrophobicContact CD2-CE2 3.65Å; L636-F638 HydrophobicContact CD2-CZ 4.13Å; L636-F638 HydrophobicContact CG-CD2 4.4Å; L636-F638 HydrophobicContact CG-CE2 3.86Å; L636-F638 HydrophobicContact CG-CZ 4.44Å
637I76.2Confident56.3Low22 Ų2259.8 Ų59.811%0.11335%0.345CS..EExtended strand (participates in β ladder)trans-125.3138.5175.8-61178.7000108.3N507 I509 Y584 F594 I639N507-I637 HydrophobicContact CB-CG1 4.19Å; N507-I637 CarbonylContact O-C 3.45Å; N507-I637 WeakPolarHBondContact O-CA 3.38Å; I509-I637 HydrophobicContact CD1-CG2 3.65Å; I509-I637 HydrophobicContact CG1-CG2 3.99Å; Y584-I637 PolarHBondContact N-O 3.34Å; Y584-I637 PolarHBondContact O-N 2.74Å; F594-I637 HydrophobicContact CD1-CD1 4.22Å; F594-I637 HydrophobicContact CD1-CG1 4.39Å; F594-I637 HydrophobicContact CD2-CD1 4.25Å; F594-I637 HydrophobicContact CE1-CD1 3.69Å; F594-I637 HydrophobicContact CE1-CG1 3.84Å; F594-I637 HydrophobicContact CE2-CD1 3.73Å; F594-I637 HydrophobicContact CG-CD1 4.49Å; F594-I637 HydrophobicContact CZ-CD1 3.42Å; F594-I637 VanDerWaalsContact CZ-CD1 3.42Å; F594-I637 HydrophobicContact CZ-CG1 4.04Å; I637-I639 HydrophobicContact CG2-CG1 4.25Å
638F79.3Confident54.5Low2 Ų259.7 Ų59.71%0.00936%0.36CS..EExtended strand (participates in β ladder)trans-107.9133.6166.3-71.9-86.5000110.7V506 N507 V508 I509 I571 A573 C581 E582 S583 A599 L636V506-F638 HydrophobicContact CG1-CD2 3.57Å; V506-F638 HydrophobicContact CG1-CE2 3.59Å; N507-F638 PolarHBondContact O-N 2.93Å; V508-F638 CarbonylContact C-O 3.4Å; V508-F638 WeakPolarHBondContact CA-O 3.18Å; V508-F638 HydrophobicContact CG1-CB 4.03Å; V508-F638 HydrophobicContact CG2-CB 4.36Å; I509-F638 PolarHBondContact N-O 2.79Å; I571-F638 HydrophobicContact CB-CE2 4.35Å; I571-F638 HydrophobicContact CB-CZ 4.2Å; I571-F638 HydrophobicContact CG2-CE2 3.63Å; I571-F638 HydrophobicContact CG2-CZ 3.81Å; I571-F638 WeakPolarHBondContact O-CZ 3.42Å; A573-F638 HydrophobicContact CB-CB 3.78Å; A573-F638 HydrophobicContact CB-CD1 3.45Å; A573-F638 VanDerWaalsContact CB-CD1 3.45Å; A573-F638 HydrophobicContact CB-CD2 3.93Å; A573-F638 HydrophobicContact CB-CE1 3.95Å; A573-F638 HydrophobicContact CB-CE2 4.38Å; A573-F638 HydrophobicContact CB-CG 3.43Å; A573-F638 VanDerWaalsContact CB-CG 3.43Å; A573-F638 HydrophobicContact CB-CZ 4.38Å; C581-F638 HydrophobicContact CB-CB 4.38Å; C581-F638 HydrophobicContact CB-CD1 4.31Å; E582-F638 CarbonylContact O-C 3.56Å; E582-F638 VanDerWaalsContact O-CA 3.23Å; E582-F638 WeakPolarHBondContact O-CA 3.23Å; S583-F638 WeakPolarHBondContact OG-CE1 3.39Å; A599-F638 HydrophobicContact CB-CE1 4.18Å; A599-F638 HydrophobicContact CB-CZ 3.7Å; L636-F638 HydrophobicContact CD1-CE2 4.25Å; L636-F638 HydrophobicContact CD1-CZ 4.4Å; L636-F638 HydrophobicContact CD2-CE2 3.65Å; L636-F638 HydrophobicContact CD2-CZ 4.13Å; L636-F638 HydrophobicContact CG-CD2 4.4Å; L636-F638 HydrophobicContact CG-CE2 3.86Å; L636-F638 HydrophobicContact CG-CZ 4.44Å
639I75.6Confident52.8Low40 Ų4068.2 Ų68.221%0.20540%0.396CS..EExtended strand (participates in β ladder)trans-111.8115.6174.4-56-176.5000108.2I509 R511 C581 E582 Y584 I637I509-I639 WeakPolarHBondContact O-CA 3.19Å; R511-I639 HydrophobicContact CB-CG2 4.31Å; R511-I639 HydrophobicContact CG-CG2 4.19Å; C581-I639 CarbonylContact C-O 3.56Å; C581-I639 VanDerWaalsContact CA-O 3.25Å; C581-I639 WeakPolarHBondContact CA-O 3.31Å; E582-I639 PolarHBondContact N-O 2.9Å; E582-I639 PolarHBondContact O-N 3.48Å; Y584-I639 HydrophobicContact CD2-CB 4.46Å; Y584-I639 HydrophobicContact CD2-CD1 3.8Å; Y584-I639 HydrophobicContact CD2-CG1 3.87Å; Y584-I639 HydrophobicContact CE2-CB 4.17Å; Y584-I639 HydrophobicContact CE2-CD1 3.61Å; Y584-I639 HydrophobicContact CE2-CG1 3.91Å; I637-I639 HydrophobicContact CG2-CG1 4.25Å
640C73.7Confident51.4Low0 Ų067.5 Ų67.50%040%0.402CS..EExtended strand (participates in β ladder)trans-107.4127.7-177.3-55.80000110.8V508 I509 N510 R511 L539 H575 C581V508-C640 VanDerWaalsContact CG1-SG 3.53Å; I509-C640 PolarHBondContact O-N 3.27Å; N510-C640 PolarHBondContact OD1-O 2.94Å; R511-C640 PolarHBondContact N-O 2.85Å; L539-C640 HydrophobicContact CD1-CB 4.29Å; H575-C640 HydrophobicContact CB-CB 3.84Å; C581-C640 HydrophobicContact CB-CB 4.08Å; C581-C640 WeakPolarHBondContact CB-SG 3.43Å; C581-C640 WeakPolarHBondContact SG-CB 3.43Å; C581-C640 CovalentContact SG-SG 2.04Å; C581-C640 PolarHBondContact SG-SG 3.3Å
641G66.1Low50.3Low11 Ų1166.1 Ų66.111%0.11340%0.399CS..  trans173.5-168.9-177.100000113.9
642T57.4Low49.3Very low49 Ų4969.2 Ų69.230%0.30141%0.413SS..  trans-143.8133.8173.850.70000109.2N512 T578 S644N512-T642 PolarHBondContact ND2-OG1 3.07Å; T578-T642 HydrophobicContact CG2-CG2 3.79Å; T642-S644 PolarHBondContact O-N 3.45Å; T642-S644 VanDerWaalsContact O-N 3.12Å
643D51.1Low48.6Very low111 Ų11172.1 Ų72.159%0.59442%0.424SS*.THydrogen-bonded Turntrans-73.7-4.3-175.3-46.7-42.4000113.8R511R511-D643 IonicContact CZ-OD1 2.7Å; R511-D643 IonicContact NE-OD1 3.54Å; R511-D643 IonicContact NH1-OD1 3.67Å; R511-D643 PolarHBondContact NH1-OD1 2.86Å
644S40.6Very low47.7Very low105 Ų10579.6 Ų79.673%0.73446%0.455SS*.THydrogen-bonded Turntrans-107.520.5-166.945.70000115.5T642 V646T642-S644 PolarHBondContact O-N 3.45Å; T642-S644 VanDerWaalsContact O-N 3.12Å; S644-V646 PolarHBondContact O-N 2.78Å
645A33.8Very low46.6Very low69 Ų6983.5 Ų83.557%0.5749%0.486SS*.  trans-85.2100.1-177.300000113.9
646V29.4Very low45Very low129 Ų12990.6 Ų90.678%0.78253%0.529SS*.  trans-16.1132169.7-178.10000117.5S644 G648S644-V646 PolarHBondContact O-N 2.78Å; V646-G648 PolarHBondContact O-N 2.68Å
647T26.6Very low43.1Very low142 Ų14293.6 Ų93.687%0.87156%0.561SS**  trans-28.583.2169.454.40000117.3
648G26.3Very low41.3Very low60 Ų6099 Ų9962%0.61960%0.601SS**  trans-99.4117.7150.500000108.9V646 V650V646-G648 PolarHBondContact O-N 2.68Å; G648-V650 PolarHBondContact O-N 3.13Å
649K25.9Very low39.8Very low195 Ų195103 Ų10385%0.84863%0.629SS**  trans-64.293.6176.7-78.9-172.4174.9-174.40110.6N651K649-N651 VanDerWaalsContact C-N 3.34Å; K649-N651 PolarHBondContact O-N 2.71Å; K649-N651 VanDerWaalsContact O-N 3.13Å
650V27.3Very low38.9Very low108 Ų108106.7 Ų106.766%0.65564%0.644SS**  trans-69.4100.3150.3-178.40000105.4G648 F652G648-V650 PolarHBondContact O-N 3.13Å; V650-F652 VanDerWaalsContact C-N 3.26Å; V650-F652 HydrophobicContact CB-CD2 4.27Å; V650-F652 HydrophobicContact CB-CE2 4.06Å; V650-F652 HydrophobicContact CG1-CD2 3.82Å; V650-F652 HydrophobicContact CG1-CE2 3.49Å; V650-F652 VanDerWaalsContact CG1-CE2 3.49Å; V650-F652 HydrophobicContact CG1-CZ 4.03Å; V650-F652 PolarHBondContact O-N 3.28Å
651N26.5Very low38.4Very low112 Ų112107.8 Ų107.860%0.59965%0.651SS**  trans-72.684.1-177.6-140.262000109.1K649 D653K649-N651 VanDerWaalsContact C-N 3.34Å; K649-N651 PolarHBondContact O-N 2.71Å; K649-N651 VanDerWaalsContact O-N 3.13Å; N651-D653 PolarHBondContact ND2-OD1 2.97Å; N651-D653 PolarHBondContact O-N 3.33Å; N651-D653 VanDerWaalsContact O-N 3.15Å
652F30Very low38.7Very low161 Ų161110.9 Ų110.971%0.70666%0.66SS**  trans-7295.7160.8-71.7-83.2000106.9V650 E654V650-F652 VanDerWaalsContact C-N 3.26Å; V650-F652 HydrophobicContact CB-CD2 4.27Å; V650-F652 HydrophobicContact CB-CE2 4.06Å; V650-F652 HydrophobicContact CG1-CD2 3.82Å; V650-F652 HydrophobicContact CG1-CE2 3.49Å; V650-F652 VanDerWaalsContact CG1-CE2 3.49Å; V650-F652 HydrophobicContact CG1-CZ 4.03Å; V650-F652 PolarHBondContact O-N 3.28Å; F652-E654 PolarHBondContact O-N 3.41Å
653D34.1Very low39.6Very low135 Ų135110.6 Ų110.672%0.72265%0.653SS**  trans-59.1107.3175.9-69.2-28.7000109.6N651 A655N651-D653 PolarHBondContact ND2-OD1 2.97Å; N651-D653 PolarHBondContact O-N 3.33Å; N651-D653 VanDerWaalsContact O-N 3.15Å; D653-A655 PolarHBondContact O-N 3.43Å; D653-A655 VanDerWaalsContact O-N 3.16Å
654E28.3Very low40.7Very low198 Ų198108.4 Ų108.493%0.92564%0.642SS**  trans-71.3104.9174-70.4-168.8122.800109.5F652F652-E654 PolarHBondContact O-N 3.41Å
655A31.4Very low42.7Very low93 Ų93108.6 Ų108.677%0.76963%0.626SS**  trans-118.1126163.600000108.9D653 G657D653-A655 PolarHBondContact O-N 3.43Å; D653-A655 VanDerWaalsContact O-N 3.16Å; A655-G657 PolarHBondContact O-N 2.91Å
656T29.8Very low44.6Very low156 Ų156107.2 Ų107.296%0.95761%0.607SS**  trans-57.4126.1-177.137.40000112.7
657G35.8Very low46.7Very low67 Ų67104.8 Ų104.869%0.69159%0.588SS**  trans170.5135176.200000114.1A655 S659A655-G657 PolarHBondContact O-N 2.91Å; G657-S659 VanDerWaalsContact C-N 3.31Å; G657-S659 PolarHBondContact O-N 3.45Å
658S39.4Very low48.8Very low136 Ų136101 Ų10195%0.95156%0.56SS**SBendtrans-79.632-160.660.60000117.7
659S47Very low51.2Low85 Ų8599 Ų9959%0.59453%0.534SS*.  trans-157.6112.9164.550.70000112.4G657 C661G657-S659 VanDerWaalsContact C-N 3.31Å; G657-S659 PolarHBondContact O-N 3.45Å; S659-C661 PolarHBondContact O-N 2.9Å
660K56.6Low53.7Low119 Ų11990.9 Ų90.952%0.51750%0.5SS..  trans-71.9118.7173.9-74.8-170.5177.5-1750109.8Y662K660-Y662 HydrophobicContact CB-CE2 4.01Å
661C63.3Low55.8Low23 Ų2385.8 Ų85.816%0.15547%0.469CS..  trans-111.6132.2175.1-62.80000111.5S659 K741 I742 C743S659-C661 PolarHBondContact O-N 2.9Å; C661-K741 HydrophobicContact CB-CG 4.4Å; C661-I742 CarbonylContact C-O 3.58Å; C661-I742 VanDerWaalsContact CA-O 3.24Å; C661-I742 WeakPolarHBondContact CA-O 3.28Å; C661-C743 HydrophobicContact CB-CB 4.13Å; C661-C743 WeakPolarHBondContact CB-SG 3.25Å; C661-C743 WeakPolarHBondContact SG-CB 3.31Å; C661-C743 CovalentContact SG-SG 2.03Å; C661-C743 PolarHBondContact SG-SG 3.22Å
662Y72Confident57.8Low76 Ų7681.2 Ų81.230%0.29845%0.446SS..EExtended strand (participates in β ladder)trans-109.5166.3178.4-58.8-97000110.9K660 K741 I742 L745 F750K660-Y662 HydrophobicContact CB-CE2 4.01Å; Y662-K741 WeakPolarHBondContact O-CA 3.16Å; Y662-I742 PolarHBondContact N-O 3.11Å; Y662-I742 PolarHBondContact O-N 3.14Å; Y662-L745 HydrophobicContact CD2-CD1 3.8Å; Y662-L745 HydrophobicContact CE2-CB 4.38Å; Y662-L745 HydrophobicContact CE2-CD1 4.07Å; Y662-F750 HydrophobicContact CE2-CE2 4.17Å
663Y77.6Confident59.4Low42 Ų4275.1 Ų75.117%0.16543%0.429CS..EExtended strand (participates in β ladder)trans-126.4121175.2-75.2-83.7000111.1K688 C691 L705 F739 E740 K741Y663-K688 HydrophobicContact CD2-CB 4.28Å; Y663-K688 HydrophobicContact CD2-CD 4.26Å; Y663-K688 HydrophobicContact CD2-CG 3.94Å; Y663-K688 HydrophobicContact CE2-CB 3.82Å; Y663-K688 HydrophobicContact CE2-CG 3.91Å; Y663-K688 HydrophobicContact CG-CG 4.28Å; Y663-K688 PolarHBondContact OH-O 2.73Å; Y663-C691 WeakPolarHBondContact OH-CB 3.3Å; Y663-C691 PolarHBondContact OH-SG 3.26Å; Y663-L705 HydrophobicContact CE1-CD2 3.96Å; Y663-F739 HydrophobicContact CD1-CB 3.8Å; Y663-F739 HydrophobicContact CG-CB 4.37Å; Y663-E740 CarbonylContact C-O 3.48Å; Y663-E740 VanDerWaalsContact CA-O 3.24Å; Y663-E740 WeakPolarHBondContact CA-O 3.45Å; Y663-K741 HydrophobicContact CD1-CB 4.07Å; Y663-K741 HydrophobicContact CD1-CG 4.46Å; Y663-K741 HydrophobicContact CE1-CB 3.6Å; Y663-K741 HydrophobicContact CE1-CG 3.81Å; Y663-K741 HydrophobicContact CE2-CG 4.48Å
664L73.8Confident60.9Low66 Ų6669.5 Ų69.535%0.34640%0.398SS..EExtended strand (participates in β ladder)trans-74.2126.1165.5-59.7178.4000108.9F666 F739 E740 I742L664-F666 HydrophobicContact CB-CD2 4.2Å; L664-F666 HydrophobicContact CB-CE2 3.57Å; L664-F666 HydrophobicContact CB-CZ 4.35Å; L664-F666 HydrophobicContact CD1-CE2 4.08Å; L664-F666 HydrophobicContact CD1-CZ 4.26Å; L664-F666 HydrophobicContact CG-CE2 4.5Å; L664-F739 CarbonylContact O-C 3.28Å; L664-F739 WeakPolarHBondContact O-CA 3.14Å; L664-E740 HydrophobicContact CB-CB 4.21Å; L664-E740 PolarHBondContact N-O 3.15Å; L664-E740 PolarHBondContact O-N 2.94Å; L664-I742 HydrophobicContact CD1-CD1 3.66Å; L664-I742 HydrophobicContact CD2-CD1 4.24Å; L664-I742 HydrophobicContact CG-CD1 3.69Å
665R81.9Confident63.2Low108 Ų10860.2 Ų60.241%0.40836%0.355SS..EExtended strand (participates in β ladder)trans-92.5129.4177.2-178169.2167112.2-14.4110.2E667 E709 T737 F739R665-E667 HydrophobicContact CG-CG 4.22Å; R665-E667 IonicContact CZ-OE1 3.88Å; R665-E667 IonicContact NE-OE1 3.83Å; R665-E667 PolarHBondContact NE-OE1 2.89Å; R665-E667 IonicContact NH2-OE1 2.75Å; R665-E667 PolarHBondContact NH2-OE1 3.35Å; R665-E709 IonicContact CZ-OE1 2.79Å; R665-E709 IonicContact NH1-OE1 3.61Å; R665-E709 PolarHBondContact NH1-OE1 2.88Å; R665-E709 IonicContact NH2-OE1 3.86Å; R665-E709 PolarHBondContact NH2-OE1 2.84Å; R665-T737 HydrophobicContact CG-CG2 3.42Å; R665-T737 VanDerWaalsContact CG-CG2 3.42Å; R665-T737 PolarHBondContact NH1-OG1 3.32Å; R665-F739 HydrophobicContact CB-CD1 3.98Å; R665-F739 HydrophobicContact CB-CE1 3.8Å; R665-F739 HydrophobicContact CG-CD1 4.2Å; R665-F739 HydrophobicContact CG-CE1 3.66Å; R665-F739 HydrophobicContact CG-CZ 4.19Å
666F73.2Confident65.5Low40 Ų4056.6 Ų56.618%0.17532%0.323CS..EExtended strand (participates in β ladder)trans-129.1103.8173.5-64.3-96.1000109L664 F669 F728 Y738L664-F666 HydrophobicContact CB-CD2 4.2Å; L664-F666 HydrophobicContact CB-CE2 3.57Å; L664-F666 HydrophobicContact CB-CZ 4.35Å; L664-F666 HydrophobicContact CD1-CE2 4.08Å; L664-F666 HydrophobicContact CD1-CZ 4.26Å; L664-F666 HydrophobicContact CG-CE2 4.5Å; F666-F669 HydrophobicContact CB-CB 3.76Å; F666-F669 HydrophobicContact CB-CD2 3.66Å; F666-F669 HydrophobicContact CB-CG 3.9Å; F666-F669 HydrophobicContact CD1-CD2 4.47Å; F666-F728 HydrophobicContact CB-CZ 4.12Å; F666-F728 HydrophobicContact CD1-CE1 4.31Å; F666-F728 AromaticContact CD1-CZ 3.9Å; F666-F728 HydrophobicContact CD1-CZ 3.9Å; F666-F728 HydrophobicContact CD2-CZ 4.32Å; F666-F728 HydrophobicContact CE1-CE1 4.46Å; F666-F728 HydrophobicContact CE1-CZ 4.34Å; F666-F728 AromaticContact CG-CZ 3.88Å; F666-F728 HydrophobicContact CG-CZ 3.88Å; F666-Y738 HydrophobicContact CB-CD1 4.07Å; F666-Y738 AromaticContact CD2-CD1 3.59Å; F666-Y738 HydrophobicContact CD2-CD1 3.59Å; F666-Y738 AromaticContact CD2-CE1 3.91Å; F666-Y738 HydrophobicContact CD2-CE1 3.91Å; F666-Y738 HydrophobicContact CE2-CD1 4.33Å; F666-Y738 HydrophobicContact CE2-CE1 4.2Å; F666-Y738 HydrophobicContact CG-CD1 4.13Å; F666-Y738 PolarHBondContact N-O 3.25Å; F666-Y738 PolarHBondContact O-N 3.15Å
667E74.7Confident68Low79 Ų7950.5 Ų50.537%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-77.3136.1-178.1-63.1179.6159.200111.1R665 F669 T737R665-E667 HydrophobicContact CG-CG 4.22Å; R665-E667 IonicContact CZ-OE1 3.88Å; R665-E667 IonicContact NE-OE1 3.83Å; R665-E667 PolarHBondContact NE-OE1 2.89Å; R665-E667 IonicContact NH2-OE1 2.75Å; R665-E667 PolarHBondContact NH2-OE1 3.35Å; E667-F669 WeakPolarHBondContact O-CD2 3.32Å; E667-F669 WeakPolarHBondContact O-CE2 3.26Å; E667-F669 PolarHBondContact O-N 3.23Å; E667-T737 HydrophobicContact CG-CG2 4.45Å
668H70.3Confident70.4Confident62 Ų6250.5 Ų50.529%0.28728%0.275SS..THydrogen-bonded Turntrans60.423.3-172.1-48.2-70.6000114.4F730 S731 E734 V736H668-F730 HydrophobicContact CB-CD2 4.09Å; H668-F730 HydrophobicContact CB-CE2 3.7Å; H668-F730 HydrophobicContact CB-CZ 4.47Å; H668-F730 CarbonylContact O-C 3.52Å; H668-S731 PolarHBondContact O-N 2.93Å; H668-E734 PolarHBondContact ND1-O 2.67Å; H668-V736 VanDerWaalsContact CA-O 3.23Å; H668-V736 WeakPolarHBondContact CA-O 3.32Å; H668-V736 PolarHBondContact N-O 3.28Å
669F77.5Confident72.5Confident19 Ų1948.5 Ų48.58%0.08325%0.249CC..EExtended strand (participates in β ladder)trans-106.7149.2171.7-73-91.8000112P546 F666 E667 F728 V729 F730 Y738P546-F669 HydrophobicContact CB-CE1 3.75Å; P546-F669 HydrophobicContact CB-CZ 3.53Å; P546-F669 HydrophobicContact CG-CE1 4.24Å; P546-F669 HydrophobicContact CG-CZ 3.82Å; F666-F669 HydrophobicContact CB-CB 3.76Å; F666-F669 HydrophobicContact CB-CD2 3.66Å; F666-F669 HydrophobicContact CB-CG 3.9Å; F666-F669 HydrophobicContact CD1-CD2 4.47Å; E667-F669 WeakPolarHBondContact O-CD2 3.32Å; E667-F669 WeakPolarHBondContact O-CE2 3.26Å; E667-F669 PolarHBondContact O-N 3.23Å; F669-F728 HydrophobicContact CB-CE2 3.69Å; F669-F728 HydrophobicContact CB-CZ 3.64Å; F669-F728 HydrophobicContact CD1-CD1 4.19Å; F669-F728 AromaticContact CD1-CE1 3.57Å; F669-F728 HydrophobicContact CD1-CE1 3.57Å; F669-F728 HydrophobicContact CD1-CE2 4.14Å; F669-F728 AromaticContact CD1-CZ 3.54Å; F669-F728 HydrophobicContact CD1-CZ 3.54Å; F669-F728 HydrophobicContact CE1-CE1 4.06Å; F669-F728 HydrophobicContact CE1-CZ 4.4Å; F669-F728 HydrophobicContact CG-CE1 4.17Å; F669-F728 HydrophobicContact CG-CE2 4.21Å; F669-F728 AromaticContact CG-CZ 3.68Å; F669-F728 HydrophobicContact CG-CZ 3.68Å; F669-V729 WeakPolarHBondContact CA-O 3.16Å; F669-V729 WeakPolarHBondContact CD1-O 3.47Å; F669-F730 HydrophobicContact CD1-CB 4.17Å; F669-F730 HydrophobicContact CD1-CD2 4.41Å; F669-F730 AromaticContact CD2-CD2 4Å; F669-F730 HydrophobicContact CD2-CD2 4Å; F669-F730 HydrophobicContact CE1-CB 3.62Å; F669-F730 AromaticContact CE1-CD2 3.94Å; F669-F730 HydrophobicContact CE1-CD2 3.94Å; F669-F730 HydrophobicContact CE1-CG 4.21Å; F669-F730 AromaticContact CE2-CD2 3.47Å; F669-F730 HydrophobicContact CE2-CD2 3.47Å; F669-F730 VanDerWaalsContact CE2-CD2 3.47Å; F669-F730 AromaticContact CE2-CE2 3.97Å; F669-F730 HydrophobicContact CE2-CE2 3.97Å; F669-F730 HydrophobicContact CE2-CG 4.46Å; F669-F730 HydrophobicContact CG-CD2 4.43Å; F669-F730 HydrophobicContact CZ-CB 3.92Å; F669-F730 AromaticContact CZ-CD2 3.42Å; F669-F730 HydrophobicContact CZ-CD2 3.42Å; F669-F730 VanDerWaalsContact CZ-CD2 3.42Å; F669-F730 HydrophobicContact CZ-CE2 4.22Å; F669-F730 AromaticContact CZ-CG 3.99Å; F669-F730 HydrophobicContact CZ-CG 3.99Å; F669-Y738 WeakPolarHBondContact O-CB 3.23Å; F669-Y738 PolarHBondContact O-N 2.9Å
670L78.1Confident74.4Confident24 Ų2451 Ų5113%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-149.8155.8176.162.788.3000111.2A672 M706 V729 E734 V736L670-A672 VanDerWaalsContact CD1-CA 3.44Å; L670-A672 HydrophobicContact CD1-CB 3.67Å; L670-M706 VanDerWaalsContact CA-SD 3.51Å; L670-M706 HydrophobicContact CB-SD 3.5Å; L670-M706 VanDerWaalsContact CB-SD 3.5Å; L670-V729 HydrophobicContact CD1-CG2 3.49Å; L670-V729 VanDerWaalsContact CD1-CG2 3.49Å; L670-V729 HydrophobicContact CG-CG2 3.87Å; L670-V729 PolarHBondContact N-O 2.99Å; L670-V729 VanDerWaalsContact N-O 3.08Å; L670-V729 PolarHBondContact O-N 3.2Å; L670-E734 HydrophobicContact CD2-CG 4.41Å; L670-V736 HydrophobicContact CB-CG1 4.25Å; L670-V736 HydrophobicContact CB-CG2 4.45Å; L670-V736 HydrophobicContact CD2-CG1 4.06Å
671L70.9Confident75.6Confident1 Ų150.3 Ų50.31%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-91.498166.8-77.7176.2000109.1G673 Y674 M706 L717 I724 A727 F728 Y738L671-G673 PolarHBondContact O-N 2.8Å; L671-Y674 PolarHBondContact O-N 3.12Å; L671-Y674 VanDerWaalsContact O-N 3.15Å; L671-M706 HydrophobicContact CB-SD 4.42Å; L671-M706 PolarHBondContact N-SD 2.83Å; L671-L717 HydrophobicContact CB-CD1 4.28Å; L671-L717 HydrophobicContact CD1-CD1 4.1Å; L671-I724 HydrophobicContact CB-CD1 4.34Å; L671-I724 HydrophobicContact CD1-CD1 3.91Å; L671-I724 HydrophobicContact CD1-CG1 4.07Å; L671-I724 HydrophobicContact CD2-CD1 3.94Å; L671-I724 HydrophobicContact CD2-CG1 3.83Å; L671-I724 HydrophobicContact CG-CD1 4.29Å; L671-A727 CarbonylContact C-O 3.55Å; L671-A727 WeakPolarHBondContact CA-O 3.41Å; L671-A727 HydrophobicContact CD2-CB 4.14Å; L671-F728 HydrophobicContact CD2-CB 3.71Å; L671-F728 HydrophobicContact CD2-CD2 3.93Å; L671-F728 HydrophobicContact CD2-CG 4.31Å; L671-F728 HydrophobicContact CG-CD2 4.22Å; L671-Y738 HydrophobicContact CD1-CE2 3.67Å; L671-Y738 HydrophobicContact CG-CD2 4.43Å; L671-Y738 HydrophobicContact CG-CE2 3.9Å
672A67.7Low76.6Confident15 Ų1550.9 Ų50.912%0.12426%0.263CS..THydrogen-bonded Turntrans-66.4120.4-166.700000112.4Y219 L670 Y674 A727 V729Y219-A672 HydrophobicContact CD1-CB 3.98Å; Y219-A672 HydrophobicContact CE1-CB 3.62Å; Y219-A672 PolarHBondContact OH-O 2.96Å; L670-A672 VanDerWaalsContact CD1-CA 3.44Å; L670-A672 HydrophobicContact CD1-CB 3.67Å; A672-Y674 VanDerWaalsContact C-N 3.29Å; A672-Y674 WeakPolarHBondContact O-CD2 3.09Å; A672-Y674 WeakPolarHBondContact O-CE2 3.37Å; A672-Y674 PolarHBondContact O-N 3.24Å; A672-A727 PolarHBondContact N-O 3.12Å; A672-V729 HydrophobicContact CB-CG1 4.37Å; A672-V729 HydrophobicContact CB-CG2 3.8Å
673G63.9Low77.5Confident33 Ų3349.7 Ų49.734%0.3427%0.265SS..THydrogen-bonded Turntrans85.5-8.8-178.200000114.8V475 G476 L671V475-G673 CarbonylContact C-O 3.58Å; G476-G673 PolarHBondContact N-O 2.79Å; L671-G673 PolarHBondContact O-N 2.8Å
674Y65.4Low77.8Confident17 Ų1748.6 Ų48.67%0.06726%0.264CS..  trans-99.1133.9-179.6-63.4-97.5000110.6L230 L671 A672 M706 L717 I724 A727L230-Y674 VanDerWaalsContact CD1-OH 3.27Å; L230-Y674 WeakPolarHBondContact CD1-OH 3.39Å; L671-Y674 PolarHBondContact O-N 3.12Å; L671-Y674 VanDerWaalsContact O-N 3.15Å; A672-Y674 VanDerWaalsContact C-N 3.29Å; A672-Y674 WeakPolarHBondContact O-CD2 3.09Å; A672-Y674 WeakPolarHBondContact O-CE2 3.37Å; A672-Y674 PolarHBondContact O-N 3.24Å; Y674-M706 WeakPolarHBondContact O-CE 3.42Å; Y674-L717 WeakPolarHBondContact O-CD2 3.46Å; Y674-I724 HydrophobicContact CD1-CD1 3.48Å; Y674-I724 VanDerWaalsContact CD1-CD1 3.48Å; Y674-I724 HydrophobicContact CD2-CD1 3.55Å; Y674-I724 HydrophobicContact CE1-CD1 3.73Å; Y674-I724 HydrophobicContact CE1-CG2 4.29Å; Y674-I724 HydrophobicContact CE2-CD1 3.84Å; Y674-I724 HydrophobicContact CG-CD1 3.39Å; Y674-A727 HydrophobicContact CD2-CB 3.72Å; Y674-A727 HydrophobicContact CE2-CB 3.44Å; Y674-A727 VanDerWaalsContact CE2-CB 3.44Å
675A77.6Confident78.4Confident3 Ų349.1 Ų49.13%0.02527%0.273CS..  trans-161.9119.9174.700000108.4I474 V475 G476 V678 V715I474-A675 HydrophobicContact CB-CB 4.33Å; I474-A675 HydrophobicContact CG1-CB 4.3Å; V475-A675 HydrophobicContact CB-CB 4.24Å; V475-A675 HydrophobicContact CG1-CB 3.98Å; G476-A675 PolarHBondContact N-O 3.32Å; A675-V678 HydrophobicContact CB-CG2 4.39Å; A675-V715 HydrophobicContact CB-CG1 3.45Å; A675-V715 VanDerWaalsContact CB-CG1 3.45Å
676D79.2Confident78.8Confident17 Ų1748.8 Ų48.89%0.09128%0.276CS..SBendtrans-93.5-30.8-174.4-94.236.2000114.1K477 W694 L716 T718K477-D676 HydrophobicContact CD-CB 4.36Å; K477-D676 WeakPolarHBondContact CE-OD1 3.45Å; K477-D676 WeakPolarHBondContact CE-OD2 3.36Å; K477-D676 WeakPolarHBondContact CG-OD1 3.43Å; K477-D676 PolarHBondContact NZ-O 3.48Å; K477-D676 IonicContact NZ-OD1 3.96Å; K477-D676 IonicContact NZ-OD2 3.63Å; K477-D676 PolarHBondContact NZ-OD2 2.81Å; D676-W694 HydrophobicContact CB-CH2 3.56Å; D676-W694 HydrophobicContact CB-CZ2 3.98Å; D676-W694 HydrophobicContact CB-CZ3 4.5Å; D676-W694 WeakPolarHBondContact OD2-CH2 3.27Å; D676-L716 WeakPolarHBondContact CB-O 3.42Å; D676-L716 PolarHBondContact N-O 3.17Å; D676-T718 VanDerWaalsContact CG-N 3.32Å; D676-T718 WeakPolarHBondContact OD2-CB 3.33Å; D676-T718 WeakPolarHBondContact OD2-CG2 3.39Å; D676-T718 PolarHBondContact OD2-N 2.79Å; D676-T718 VanDerWaalsContact OD2-N 3.09Å; D676-T718 PolarHBondContact OD2-OG1 3.38Å; D676-T718 VanDerWaalsContact OD2-OG1 3.12Å
677A82.7Confident79.6Confident28 Ų2846.9 Ų46.923%0.23127%0.268CS..EExtended strand (participates in β ladder)trans-162.6150.3172.700000107.2W694 V715 L716A677-W694 HydrophobicContact CB-CZ2 3.79Å; A677-V715 WeakPolarHBondContact O-CA 3.29Å; A677-L716 HydrophobicContact CB-CB 4.4Å; A677-L716 HydrophobicContact CB-CD1 4.14Å; A677-L716 PolarHBondContact O-N 2.84Å
678V86Confident80.5Confident68 Ų6845.3 Ų45.341%0.41226%0.26SS..EExtended strand (participates in β ladder)trans-124.9136.9178.2-172.10000109A675 T713 C714 V715A675-V678 HydrophobicContact CB-CG2 4.39Å; V678-T713 HydrophobicContact CG1-CG2 3.89Å; V678-C714 CarbonylContact C-O 3.51Å; V678-C714 WeakPolarHBondContact CA-O 3.38Å; V678-V715 HydrophobicContact CG1-CG2 4.31Å; V678-V715 HydrophobicContact CG2-CG1 4.49Å; V678-V715 HydrophobicContact CG2-CG2 4.2Å
679K84.2Confident81.3Confident93 Ų9346.4 Ų46.440%0.40427%0.268SS..EExtended strand (participates in β ladder)trans-124.1157.1168.2-66.6-62.7-171.2176.10108.2L682 F690 T713 C714K679-L682 HydrophobicContact CB-CD1 3.6Å; K679-L682 HydrophobicContact CB-CG 4.21Å; K679-L682 HydrophobicContact CG-CD1 4.2Å; K679-F690 HydrophobicContact CD-CZ 4.42Å; K679-F690 HydrophobicContact CG-CE1 4.29Å; K679-F690 HydrophobicContact CG-CZ 4.41Å; K679-T713 WeakPolarHBondContact O-CA 3.35Å; K679-C714 HydrophobicContact CB-CB 4.17Å; K679-C714 PolarHBondContact N-O 3.03Å; K679-C714 PolarHBondContact O-N 3.23Å
680Q86Confident81.9Confident137 Ų13748.9 Ų48.964%0.6428%0.279SS*.  trans-127.4162.9179.5-62.1-171.5-60.700109.3L682 G712Q680-L682 PolarHBondContact O-N 3.41Å; Q680-G712 CarbonylContact C-O 3.58Å
681S82.7Confident82.4Confident106 Ų10647.8 Ų47.874%0.74127%0.273SS*.SBendtrans57.135.1177.5-48.50000113.7D711 G712S681-D711 PolarHBondContact N-O 3.19Å; S681-G712 PolarHBondContact N-O 3.15Å
682L84.4Confident83.2Confident35 Ų3553.4 Ų53.418%0.18329%0.294CS..  trans-107.8142.9172.7-62.1-172.9000110.7K679 Q680 E686 H707 G712 C714K679-L682 HydrophobicContact CB-CD1 3.6Å; K679-L682 HydrophobicContact CB-CG 4.21Å; K679-L682 HydrophobicContact CG-CD1 4.2Å; Q680-L682 PolarHBondContact O-N 3.41Å; L682-E686 HydrophobicContact CB-CB 4.16Å; L682-E686 HydrophobicContact CD2-CB 4.17Å; L682-H707 PolarHBondContact O-NE2 2.88Å; L682-G712 PolarHBondContact N-O 3.49Å; L682-G712 WeakPolarHBondContact O-CA 3.39Å; L682-C714 HydrophobicContact CB-CB 4.27Å; L682-C714 HydrophobicContact CD1-CB 3.97Å
683S89Confident84.1Confident50 Ų5057.8 Ų57.835%0.3532%0.319SS..  trans-68.7163.2162.266.50000111.6S685 E686 C687S683-S685 PolarHBondContact O-N 2.84Å; S683-E686 WeakPolarHBondContact CB-OE2 3.46Å; S683-E686 PolarHBondContact N-OE2 2.99Å; S683-E686 PolarHBondContact O-N 3Å; S683-E686 WeakPolarHBondContact OG-CG 3.43Å; S683-E686 PolarHBondContact OG-N 2.95Å; S683-E686 PolarHBondContact OG-OE2 2.86Å; S683-C687 WeakPolarHBondContact O-CB 3.24Å; S683-C687 PolarHBondContact O-N 2.94Å
684S83.8Confident85.3Confident20 Ų2057.8 Ų57.814%0.1431%0.309CS..Hα-helixtrans-56-35.8173.8-176.20000112.2K688 H707 F739S684-K688 WeakPolarHBondContact O-CD 3.3Å; S684-K688 VanDerWaalsContact O-CG 3.25Å; S684-K688 WeakPolarHBondContact O-CG 3.41Å; S684-K688 PolarHBondContact O-N 3.03Å; S684-K688 WeakPolarHBondContact OG-CE 3.28Å; S684-K688 PolarHBondContact OG-NZ 2.75Å; S684-H707 PolarHBondContact N-CE1 3.35Å; S684-H707 VanDerWaalsContact N-CE1 3.32Å; S684-F739 WeakPolarHBondContact OG-CE2 3.49Å; S684-F739 WeakPolarHBondContact OG-CZ 3.21Å
685S86.6Confident86.2Confident76 Ų7663 Ų6353%0.53133%0.328SS..Hα-helixtrans-69.3-45.8179-58.10000112.2S683 C687 K688 N689S683-S685 PolarHBondContact O-N 2.84Å; S685-C687 VanDerWaalsContact C-N 3.35Å; S685-K688 PolarHBondContact O-N 3.06Å; S685-N689 PolarHBondContact O-N 2.96Å
686E90.5Very high86.4Confident101 Ų10163.1 Ų63.147%0.47233%0.33SS..Hα-helixtrans-64.6-40.6174.8-70.3161.3118.700111.3L682 S683 K688 N689 F690L682-E686 HydrophobicContact CB-CB 4.16Å; L682-E686 HydrophobicContact CD2-CB 4.17Å; S683-E686 WeakPolarHBondContact CB-OE2 3.46Å; S683-E686 PolarHBondContact N-OE2 2.99Å; S683-E686 PolarHBondContact O-N 3Å; S683-E686 WeakPolarHBondContact OG-CG 3.43Å; S683-E686 PolarHBondContact OG-N 2.95Å; S683-E686 PolarHBondContact OG-OE2 2.86Å; E686-K688 PolarHBondContact O-N 3.02Å; E686-N689 PolarHBondContact O-N 2.75Å; E686-F690 WeakPolarHBondContact O-CB 3.35Å; E686-F690 PolarHBondContact O-N 2.83Å
687C91.2Very high86.2Confident0 Ų068.5 Ų68.50%037%0.365CS..Hα-helixtrans-59.8-43.8176-172.40000112.1S683 S685 F690 C691 C714S683-C687 WeakPolarHBondContact O-CB 3.24Å; S683-C687 PolarHBondContact O-N 2.94Å; S685-C687 VanDerWaalsContact C-N 3.35Å; C687-F690 PolarHBondContact O-N 2.94Å; C687-C691 WeakPolarHBondContact O-CB 3.32Å; C687-C691 PolarHBondContact O-N 2.86Å; C687-C714 WeakPolarHBondContact CA-SG 3.25Å; C687-C714 HydrophobicContact CB-CB 3.7Å; C687-C714 WeakPolarHBondContact CB-SG 3.36Å; C687-C714 WeakPolarHBondContact SG-CB 3.39Å; C687-C714 CovalentContact SG-SG 2.03Å; C687-C714 PolarHBondContact SG-SG 3.23Å
688K92.2Very high85.8Confident47 Ų4769.5 Ų69.520%0.20437%0.374CS..Hα-helixtrans-62.2-45.6172.7-72.6160.3-176.7149.50112.2Y663 S684 S685 E686 F690 C691 R692 L705 F739Y663-K688 HydrophobicContact CD2-CB 4.28Å; Y663-K688 HydrophobicContact CD2-CD 4.26Å; Y663-K688 HydrophobicContact CD2-CG 3.94Å; Y663-K688 HydrophobicContact CE2-CB 3.82Å; Y663-K688 HydrophobicContact CE2-CG 3.91Å; Y663-K688 HydrophobicContact CG-CG 4.28Å; Y663-K688 PolarHBondContact OH-O 2.73Å; S684-K688 WeakPolarHBondContact O-CD 3.3Å; S684-K688 VanDerWaalsContact O-CG 3.25Å; S684-K688 WeakPolarHBondContact O-CG 3.41Å; S684-K688 PolarHBondContact O-N 3.03Å; S684-K688 WeakPolarHBondContact OG-CE 3.28Å; S684-K688 PolarHBondContact OG-NZ 2.75Å; S685-K688 PolarHBondContact O-N 3.06Å; E686-K688 PolarHBondContact O-N 3.02Å; K688-F690 VanDerWaalsContact C-N 3.31Å; K688-F690 PolarHBondContact O-N 3.15Å; K688-C691 WeakPolarHBondContact O-CB 3.33Å; K688-C691 PolarHBondContact O-N 3.32Å; K688-R692 WeakPolarHBondContact O-CG 3.17Å; K688-R692 PolarHBondContact O-N 3.03Å; K688-L705 HydrophobicContact CB-CD2 4.45Å; K688-L705 HydrophobicContact CG-CD2 4.04Å; K688-F739 VanDerWaalsContact CE-CD1 3.43Å
689N88.6Confident85.5Confident85 Ų8568.9 Ų68.946%0.45538%0.381SS..Hα-helixtrans-62-40.1176.7-76.9-19.2000112S685 E686 R692 T693S685-N689 PolarHBondContact O-N 2.96Å; E686-N689 PolarHBondContact O-N 2.75Å; N689-R692 WeakPolarHBondContact O-CB 3.36Å; N689-R692 PolarHBondContact O-N 3.16Å; N689-R692 PolarHBondContact OD1-NH1 2.87Å; N689-T693 PolarHBondContact O-N 2.87Å; N689-T693 PolarHBondContact O-OG1 3.43Å
690F88.7Confident85.3Confident71 Ų7167.7 Ų67.731%0.31138%0.376SS..Hα-helixtrans-65.2-41.2174.9-155.3-79.8000111.4K679 E686 C687 K688 R692 T693 W694 L716K679-F690 HydrophobicContact CD-CZ 4.42Å; K679-F690 HydrophobicContact CG-CE1 4.29Å; K679-F690 HydrophobicContact CG-CZ 4.41Å; E686-F690 WeakPolarHBondContact O-CB 3.35Å; E686-F690 PolarHBondContact O-N 2.83Å; C687-F690 PolarHBondContact O-N 2.94Å; K688-F690 VanDerWaalsContact C-N 3.31Å; K688-F690 PolarHBondContact O-N 3.15Å; F690-R692 VanDerWaalsContact C-N 3.3Å; F690-R692 PolarHBondContact O-N 2.84Å; F690-T693 PolarHBondContact O-N 2.75Å; F690-T693 PolarHBondContact O-OG1 3.01Å; F690-W694 HydrophobicContact CD1-CB 3.92Å; F690-W694 HydrophobicContact CD1-CG 4.36Å; F690-W694 HydrophobicContact CE1-CB 3.97Å; F690-W694 AromaticContact CE1-CD1 3.66Å; F690-W694 HydrophobicContact CE1-CG 4.08Å; F690-W694 WeakPolarHBondContact O-CB 3.19Å; F690-W694 PolarHBondContact O-N 3.35Å; F690-L716 HydrophobicContact CD1-CD1 3.43Å; F690-L716 VanDerWaalsContact CD1-CD1 3.43Å; F690-L716 HydrophobicContact CE1-CD1 3.71Å
691C90.4Very high85.2Confident0 Ų063.8 Ų63.80%036%0.363CS..Hα-helixtrans-64.2-27.8172.6178.80000113.7Y663 C687 K688 C702 L705 L716Y663-C691 WeakPolarHBondContact OH-CB 3.3Å; Y663-C691 PolarHBondContact OH-SG 3.26Å; C687-C691 WeakPolarHBondContact O-CB 3.32Å; C687-C691 PolarHBondContact O-N 2.86Å; K688-C691 WeakPolarHBondContact O-CB 3.33Å; K688-C691 PolarHBondContact O-N 3.32Å; C691-C702 VanDerWaalsContact CA-SG 3.59Å; C691-C702 HydrophobicContact CB-CB 3.95Å; C691-C702 WeakPolarHBondContact CB-SG 3.34Å; C691-C702 WeakPolarHBondContact O-CB 3.05Å; C691-C702 WeakPolarHBondContact SG-CB 3.47Å; C691-C702 CovalentContact SG-SG 2.04Å; C691-C702 PolarHBondContact SG-SG 3.24Å; C691-L705 HydrophobicContact CB-CD2 3.49Å; C691-L705 VanDerWaalsContact CB-CD2 3.49Å; C691-L716 HydrophobicContact CB-CD2 3.8Å
692R87.3Confident85.4Confident119 Ų11958.9 Ų58.945%0.44933%0.329SS..Hα-helixtrans-64.4-48174.9-73.3167.8169.4170.4-12.7111.5K688 N689 F690 R695K688-R692 WeakPolarHBondContact O-CG 3.17Å; K688-R692 PolarHBondContact O-N 3.03Å; N689-R692 WeakPolarHBondContact O-CB 3.36Å; N689-R692 PolarHBondContact O-N 3.16Å; N689-R692 PolarHBondContact OD1-NH1 2.87Å; F690-R692 VanDerWaalsContact C-N 3.3Å; F690-R692 PolarHBondContact O-N 2.84Å; R692-R695 PolarHBondContact O-NH1 3.16Å; R692-R695 VanDerWaalsContact O-NH1 3.15Å
693T86.4Confident85.7Confident107 Ų10758.6 Ų58.666%0.65633%0.33SS*.Hα-helixtrans-87.8-33.1-174.955.10000113.7N689 F690 R695N689-T693 PolarHBondContact O-N 2.87Å; N689-T693 PolarHBondContact O-OG1 3.43Å; F690-T693 PolarHBondContact O-N 2.75Å; F690-T693 PolarHBondContact O-OG1 3.01Å; T693-R695 PolarHBondContact O-NH1 3.36Å
694W89.2Confident85.8Confident33 Ų3356.2 Ų56.213%0.12531%0.313CS..  trans-60.4145.8-176177.189.2000113.2D676 A677 F690 C702 L716 T718D676-W694 HydrophobicContact CB-CH2 3.56Å; D676-W694 HydrophobicContact CB-CZ2 3.98Å; D676-W694 HydrophobicContact CB-CZ3 4.5Å; D676-W694 WeakPolarHBondContact OD2-CH2 3.27Å; A677-W694 HydrophobicContact CB-CZ2 3.79Å; F690-W694 HydrophobicContact CD1-CB 3.92Å; F690-W694 HydrophobicContact CD1-CG 4.36Å; F690-W694 HydrophobicContact CE1-CB 3.97Å; F690-W694 AromaticContact CE1-CD1 3.66Å; F690-W694 HydrophobicContact CE1-CG 4.08Å; F690-W694 WeakPolarHBondContact O-CB 3.19Å; F690-W694 PolarHBondContact O-N 3.35Å; W694-C702 HydrophobicContact CE3-CB 3.82Å; W694-C702 HydrophobicContact CZ3-CB 4.22Å; W694-L716 HydrophobicContact CB-CD1 3.92Å; W694-L716 HydrophobicContact CD2-CB 4.37Å; W694-L716 HydrophobicContact CD2-CD1 3.68Å; W694-L716 HydrophobicContact CE3-CB 4.36Å; W694-L716 HydrophobicContact CE3-CD1 4.35Å; W694-L716 HydrophobicContact CG-CD1 3.48Å; W694-L716 VanDerWaalsContact CG-CD1 3.48Å; W694-T718 HydrophobicContact CH2-CG2 3.97Å; W694-T718 HydrophobicContact CZ3-CG2 3.88Å
695R84.8Confident86.3Confident126 Ų12655.3 Ų55.348%0.47531%0.307SS..BIsolated β-bridgetrans-130.4146.3171-61-61.3-179.6-93.80.9108.3R692 T693 G699 K700R692-R695 PolarHBondContact O-NH1 3.16Å; R692-R695 VanDerWaalsContact O-NH1 3.15Å; T693-R695 PolarHBondContact O-NH1 3.36Å; R695-G699 WeakPolarHBondContact CD-O 3.38Å; R695-K700 CarbonylContact C-O 3.46Å; R695-K700 WeakPolarHBondContact CA-O 3.4Å
696S80.8Confident86.6Confident7 Ų751.8 Ų51.85%0.04928%0.282CS..  trans-67.9164.6172.273.50000111.2A698 G699 K700S696-A698 PolarHBondContact O-N 2.87Å; S696-A698 PolarHBondContact OG-N 3.32Å; S696-G699 PolarHBondContact O-N 3.34Å; S696-K700 PolarHBondContact N-O 3.44Å; S696-K700 WeakPolarHBondContact OG-CB 3.32Å; S696-K700 PolarHBondContact OG-N 2.93Å; S696-K700 VanDerWaalsContact OG-N 3.17Å; S696-K700 PolarHBondContact OG-O 3.02Å
697P74.3Confident86.7Confident130 Ų13047.4 Ų47.484%0.84426%0.261SS*.THydrogen-bonded Turntrans-56.1-21.2172.2-26.536000114.2
698A75.2Confident86.7Confident49 Ų4948.9 Ų48.941%0.40527%0.267SS..THydrogen-bonded Turntrans-95.917174.900000113.3S696 K700S696-A698 PolarHBondContact O-N 2.87Å; S696-A698 PolarHBondContact OG-N 3.32Å; A698-K700 PolarHBondContact O-N 3.09Å; A698-K700 VanDerWaalsContact O-N 3.14Å
699G78.8Confident86Confident54 Ų5451.8 Ų51.856%0.55728%0.281SS*.SBendtrans77.4-13.5177.100000116.4R695 S696R695-G699 WeakPolarHBondContact CD-O 3.38Å; S696-G699 PolarHBondContact O-N 3.34Å
700K80.4Confident85.6Confident69 Ų6954.1 Ų54.130%0.329%0.294SS..PPolyproline II helixtrans-58.7139.5178.6-67.6-177.4169.3-176.60112.1S479 R695 S696 A698 T718 E719S479-K700 PolarHBondContact OG-NZ 2.95Å; R695-K700 CarbonylContact C-O 3.46Å; R695-K700 WeakPolarHBondContact CA-O 3.4Å; S696-K700 PolarHBondContact N-O 3.44Å; S696-K700 WeakPolarHBondContact OG-CB 3.32Å; S696-K700 PolarHBondContact OG-N 2.93Å; S696-K700 VanDerWaalsContact OG-N 3.17Å; S696-K700 PolarHBondContact OG-O 3.02Å; A698-K700 PolarHBondContact O-N 3.09Å; A698-K700 VanDerWaalsContact O-N 3.14Å; K700-T718 HydrophobicContact CB-CG2 3.45Å; K700-T718 VanDerWaalsContact CB-CG2 3.45Å; K700-T718 HydrophobicContact CD-CG2 4.2Å; K700-T718 HydrophobicContact CG-CG2 4.49Å; K700-E719 IonicContact NZ-OE1 3.53Å
701S84.1Confident85.3Confident55 Ų5554.7 Ų54.739%0.38530%0.3SS..BIsolated β-bridgetrans-72.5153.3173.451.20000113.1S703 T718S701-S703 PolarHBondContact O-N 3.07Å; S701-T718 WeakPolarHBondContact O-CG2 3.29Å
702C87.9Confident84.9Confident2 Ų255.1 Ų55.11%0.01431%0.305CS..PPolyproline II helixtrans-57.8126.4165.9-165.50000110.6C691 W694 S704 K741C691-C702 VanDerWaalsContact CA-SG 3.59Å; C691-C702 HydrophobicContact CB-CB 3.95Å; C691-C702 WeakPolarHBondContact CB-SG 3.34Å; C691-C702 WeakPolarHBondContact O-CB 3.05Å; C691-C702 WeakPolarHBondContact SG-CB 3.47Å; C691-C702 CovalentContact SG-SG 2.04Å; C691-C702 PolarHBondContact SG-SG 3.24Å; W694-C702 HydrophobicContact CE3-CB 3.82Å; W694-C702 HydrophobicContact CZ3-CB 4.22Å; C702-S704 PolarHBondContact SG-O 3.26Å; C702-K741 WeakPolarHBondContact O-CD 3.27Å
703S89.1Confident85Confident30 Ų3050.1 Ų50.121%0.2129%0.288CS..  trans-107.8-25.7175.8-57.70000111.9S701 L717 T718 K741S701-S703 PolarHBondContact O-N 3.07Å; S703-L717 PolarHBondContact N-O 2.76Å; S703-T718 WeakPolarHBondContact CB-O 3.28Å; S703-T718 PolarHBondContact OG-O 3.3Å; S703-K741 WeakPolarHBondContact O-CB 3.46Å; S703-K741 PolarHBondContact O-N 3.21Å
704S91.3Very high85.2Confident0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-153.917217166.90000111.2C702 L717 E719 Y738 F739C702-S704 PolarHBondContact SG-O 3.26Å; S704-L717 PolarHBondContact N-O 3.36Å; S704-L717 VanDerWaalsContact N-O 3.12Å; S704-L717 WeakPolarHBondContact O-CB 2.96Å; S704-L717 PolarHBondContact O-N 2.76Å; S704-L717 VanDerWaalsContact O-O 3.11Å; S704-L717 VanDerWaalsContact OG-CB 3.3Å; S704-L717 WeakPolarHBondContact OG-CB 3.48Å; S704-L717 VanDerWaalsContact OG-CD1 3.28Å; S704-L717 WeakPolarHBondContact OG-CD1 3.33Å; S704-E719 PolarHBondContact OG-O 3.27Å; S704-Y738 WeakPolarHBondContact CB-OH 3.46Å; S704-Y738 VanDerWaalsContact OG-CE2 3.26Å; S704-Y738 WeakPolarHBondContact OG-CE2 2.88Å; S704-F739 CarbonylContact C-O 3.44Å; S704-F739 WeakPolarHBondContact CA-O 3.3Å; S704-F739 WeakPolarHBondContact CB-O 3.33Å
705L93.8Very high85.4Confident0 Ų043.5 Ų43.50%025%0.25CS..EExtended strand (participates in β ladder)trans-145.3165.1172.566.182.2000110Y663 K688 C691 H707 V715 L716 Y738 F739Y663-L705 HydrophobicContact CE1-CD2 3.96Å; K688-L705 HydrophobicContact CB-CD2 4.45Å; K688-L705 HydrophobicContact CG-CD2 4.04Å; C691-L705 HydrophobicContact CB-CD2 3.49Å; C691-L705 VanDerWaalsContact CB-CD2 3.49Å; L705-H707 HydrophobicContact CD1-CB 4.31Å; L705-V715 CarbonylContact C-O 3.53Å; L705-V715 WeakPolarHBondContact CA-O 3.42Å; L705-V715 VanDerWaalsContact CB-O 3.3Å; L705-V715 WeakPolarHBondContact CB-O 3.15Å; L705-L716 HydrophobicContact CB-CD2 4.16Å; L705-Y738 CarbonylContact O-C 3.54Å; L705-Y738 WeakPolarHBondContact O-CA 3.43Å; L705-F739 HydrophobicContact CD1-CB 3.74Å; L705-F739 HydrophobicContact CD1-CD2 3.42Å; L705-F739 VanDerWaalsContact CD1-CD2 3.42Å; L705-F739 HydrophobicContact CD1-CE2 4.33Å; L705-F739 HydrophobicContact CD1-CG 3.98Å; L705-F739 HydrophobicContact CG-CB 3.9Å; L705-F739 HydrophobicContact CG-CD2 4.48Å; L705-F739 PolarHBondContact N-O 3.04Å; L705-F739 PolarHBondContact O-N 2.65Å
706M93.5Very high85.7Confident3 Ų337.5 Ų37.52%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-128.6136.1170.4-57.6173.6-60.500108.2L670 L671 Y674 W708 C714 V715 L717 V736 T737 Y738L670-M706 VanDerWaalsContact CA-SD 3.51Å; L670-M706 HydrophobicContact CB-SD 3.5Å; L670-M706 VanDerWaalsContact CB-SD 3.5Å; L671-M706 HydrophobicContact CB-SD 4.42Å; L671-M706 PolarHBondContact N-SD 2.83Å; Y674-M706 WeakPolarHBondContact O-CE 3.42Å; M706-W708 HydrophobicContact CB-CE3 4.45Å; M706-W708 HydrophobicContact CB-CH2 4.26Å; M706-W708 HydrophobicContact CB-CZ3 3.68Å; M706-W708 HydrophobicContact CE-CH2 4.27Å; M706-W708 HydrophobicContact CE-CZ3 4.38Å; M706-W708 HydrophobicContact SD-CH2 4.44Å; M706-C714 CarbonylContact O-C 3.59Å; M706-C714 WeakPolarHBondContact O-CA 3.4Å; M706-V715 HydrophobicContact CB-CB 4.27Å; M706-V715 HydrophobicContact CE-CB 3.76Å; M706-V715 HydrophobicContact CE-CG1 3.54Å; M706-V715 HydrophobicContact CE-CG2 4.25Å; M706-V715 PolarHBondContact N-O 3.14Å; M706-V715 PolarHBondContact O-N 2.54Å; M706-L717 HydrophobicContact CE-CD1 4.02Å; M706-L717 HydrophobicContact CE-CD2 4.42Å; M706-L717 HydrophobicContact CG-CD1 3.89Å; M706-L717 HydrophobicContact SD-CD1 4.12Å; M706-V736 HydrophobicContact CB-CG2 3.88Å; M706-T737 CarbonylContact C-O 3.03Å; M706-T737 WeakPolarHBondContact CA-O 3.4Å; M706-Y738 HydrophobicContact CG-CD2 3.89Å
707H93Very high86.1Confident8 Ų837.1 Ų37.14%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-129.5121.4-178.2178.8-113.4000109.8L682 S684 L705 T713 V736 T737 F739L682-H707 PolarHBondContact O-NE2 2.88Å; S684-H707 PolarHBondContact N-CE1 3.35Å; S684-H707 VanDerWaalsContact N-CE1 3.32Å; L705-H707 HydrophobicContact CD1-CB 4.31Å; H707-T713 CarbonylContact C-O 3.6Å; H707-T713 WeakPolarHBondContact CA-O 3.26Å; H707-V736 CarbonylContact O-C 3.51Å; H707-V736 WeakPolarHBondContact O-CA 3.46Å; H707-T737 PolarHBondContact N-O 3.13Å; H707-T737 PolarHBondContact O-N 3Å; H707-F739 HydrophobicContact CB-CE2 4.22Å
708W91.6Very high86.7Confident31 Ų3131.3 Ų31.312%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-87.1122.6171.1-80.9-106.6000108.6M706 D710 D711 G712 T713 V715 E734 P735 V736M706-W708 HydrophobicContact CB-CE3 4.45Å; M706-W708 HydrophobicContact CB-CH2 4.26Å; M706-W708 HydrophobicContact CB-CZ3 3.68Å; M706-W708 HydrophobicContact CE-CH2 4.27Å; M706-W708 HydrophobicContact CE-CZ3 4.38Å; M706-W708 HydrophobicContact SD-CH2 4.44Å; W708-D710 VanDerWaalsContact C-N 3.33Å; W708-D711 WeakPolarHBondContact CB-OD1 3.42Å; W708-G712 WeakPolarHBondContact O-CA 3.22Å; W708-G712 PolarHBondContact O-N 3.33Å; W708-G712 VanDerWaalsContact O-N 3.16Å; W708-T713 HydrophobicContact CE3-CG2 4.25Å; W708-T713 PolarHBondContact N-O 2.96Å; W708-V715 HydrophobicContact CE3-CG2 4.45Å; W708-V715 HydrophobicContact CZ3-CB 4.44Å; W708-V715 HydrophobicContact CZ3-CG2 3.72Å; W708-E734 PolarHBondContact NE1-OE2 2.98Å; W708-P735 WeakPolarHBondContact CA-O 3.27Å; W708-V736 HydrophobicContact CD2-CB 3.88Å; W708-V736 HydrophobicContact CD2-CG2 3.75Å; W708-V736 HydrophobicContact CE3-CB 4.37Å; W708-V736 HydrophobicContact CE3-CG2 3.71Å; W708-V736 HydrophobicContact CG-CB 4.26Å; W708-V736 HydrophobicContact CH2-CB 4.38Å; W708-V736 HydrophobicContact CH2-CG2 3.67Å; W708-V736 HydrophobicContact CZ2-CB 3.9Å; W708-V736 HydrophobicContact CZ2-CG2 3.71Å; W708-V736 HydrophobicContact CZ3-CG2 3.67Å
709E77.4Confident87.1Confident108 Ų10830.7 Ų30.751%0.50518%0.176SC..THydrogen-bonded Turntrans-72.5-28.3-176-64.5-172.4177.400111.7R665 P735R665-E709 IonicContact CZ-OE1 2.79Å; R665-E709 IonicContact NH1-OE1 3.61Å; R665-E709 PolarHBondContact NH1-OE1 2.88Å; R665-E709 IonicContact NH2-OE1 3.86Å; R665-E709 PolarHBondContact NH2-OE1 2.84Å; E709-P735 PolarHBondContact N-O 2.92Å
710D80.4Confident87.3Confident134 Ų13429.4 Ų29.472%0.71716%0.157SC*.THydrogen-bonded Turntrans-66.6-44.3-177.9-74.520.2000115.2W708 P735W708-D710 VanDerWaalsContact C-N 3.33Å; D710-P735 HydrophobicContact CB-CG 4.24Å; D710-P735 VanDerWaalsContact CG-CG 3.42Å; D710-P735 WeakPolarHBondContact OD1-CB 3.27Å; D710-P735 WeakPolarHBondContact OD1-CG 3.24Å; D710-P735 WeakPolarHBondContact OD2-CG 3.49Å
711D82.1Confident87.1Confident84 Ų8429.1 Ų29.145%0.44915%0.153SC..THydrogen-bonded Turntrans-119.4-1.1-17376.3-19.2000113.6S681 W708 T713S681-D711 PolarHBondContact N-O 3.19Å; W708-D711 WeakPolarHBondContact CB-OD1 3.42Å; D711-T713 PolarHBondContact O-N 3.47Å; D711-T713 WeakPolarHBondContact OD1-CB 3.45Å; D711-T713 PolarHBondContact OD1-N 2.87Å; D711-T713 PolarHBondContact OD1-OG1 3.41Å; D711-T713 WeakPolarHBondContact OD2-CB 3.38Å; D711-T713 PolarHBondContact OD2-OG1 3.28Å
712G82.1Confident86.3Confident9 Ų932.9 Ų32.99%0.09316%0.163CC..  trans66.620.2-175.200000113.8Q680 S681 L682 W708 C714Q680-G712 CarbonylContact C-O 3.58Å; S681-G712 PolarHBondContact N-O 3.15Å; L682-G712 PolarHBondContact N-O 3.49Å; L682-G712 WeakPolarHBondContact O-CA 3.39Å; W708-G712 WeakPolarHBondContact O-CA 3.22Å; W708-G712 PolarHBondContact O-N 3.33Å; W708-G712 VanDerWaalsContact O-N 3.16Å; G712-C714 PolarHBondContact O-N 3.45Å
713T89Confident85.4Confident14 Ų1436.4 Ų36.49%0.08618%0.184CC..  trans-67119.4175.1-74.70000109.9V678 K679 H707 W708 D711 V715V678-T713 HydrophobicContact CG1-CG2 3.89Å; K679-T713 WeakPolarHBondContact O-CA 3.35Å; H707-T713 CarbonylContact C-O 3.6Å; H707-T713 WeakPolarHBondContact CA-O 3.26Å; W708-T713 HydrophobicContact CE3-CG2 4.25Å; W708-T713 PolarHBondContact N-O 2.96Å; D711-T713 PolarHBondContact O-N 3.47Å; D711-T713 WeakPolarHBondContact OD1-CB 3.45Å; D711-T713 PolarHBondContact OD1-N 2.87Å; D711-T713 PolarHBondContact OD1-OG1 3.41Å; D711-T713 WeakPolarHBondContact OD2-CB 3.38Å; D711-T713 PolarHBondContact OD2-OG1 3.28Å; T713-V715 HydrophobicContact CG2-CG2 4.15Å
714C91.4Very high84.1Confident0 Ų035.7 Ų35.70%018%0.178CC..EExtended strand (participates in β ladder)trans-113.2108.3-178.6171.10000109.1V678 K679 L682 C687 M706 G712V678-C714 CarbonylContact C-O 3.51Å; V678-C714 WeakPolarHBondContact CA-O 3.38Å; K679-C714 HydrophobicContact CB-CB 4.17Å; K679-C714 PolarHBondContact N-O 3.03Å; K679-C714 PolarHBondContact O-N 3.23Å; L682-C714 HydrophobicContact CB-CB 4.27Å; L682-C714 HydrophobicContact CD1-CB 3.97Å; C687-C714 WeakPolarHBondContact CA-SG 3.25Å; C687-C714 HydrophobicContact CB-CB 3.7Å; C687-C714 WeakPolarHBondContact CB-SG 3.36Å; C687-C714 WeakPolarHBondContact SG-CB 3.39Å; C687-C714 CovalentContact SG-SG 2.03Å; C687-C714 PolarHBondContact SG-SG 3.23Å; M706-C714 CarbonylContact O-C 3.59Å; M706-C714 WeakPolarHBondContact O-CA 3.4Å; G712-C714 PolarHBondContact O-N 3.45Å
715V91.8Very high82.6Confident0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-99.3123.7174.8-177.10000108.8A675 A677 V678 L705 M706 W708 T713 L717A675-V715 HydrophobicContact CB-CG1 3.45Å; A675-V715 VanDerWaalsContact CB-CG1 3.45Å; A677-V715 WeakPolarHBondContact O-CA 3.29Å; V678-V715 HydrophobicContact CG1-CG2 4.31Å; V678-V715 HydrophobicContact CG2-CG1 4.49Å; V678-V715 HydrophobicContact CG2-CG2 4.2Å; L705-V715 CarbonylContact C-O 3.53Å; L705-V715 WeakPolarHBondContact CA-O 3.42Å; L705-V715 VanDerWaalsContact CB-O 3.3Å; L705-V715 WeakPolarHBondContact CB-O 3.15Å; M706-V715 HydrophobicContact CB-CB 4.27Å; M706-V715 HydrophobicContact CE-CB 3.76Å; M706-V715 HydrophobicContact CE-CG1 3.54Å; M706-V715 HydrophobicContact CE-CG2 4.25Å; M706-V715 PolarHBondContact N-O 3.14Å; M706-V715 PolarHBondContact O-N 2.54Å; W708-V715 HydrophobicContact CE3-CG2 4.45Å; W708-V715 HydrophobicContact CZ3-CB 4.44Å; W708-V715 HydrophobicContact CZ3-CG2 3.72Å; T713-V715 HydrophobicContact CG2-CG2 4.15Å; V715-L717 HydrophobicContact CG1-CD2 4.48Å
716L91.5Very high80.6Confident0 Ų041.8 Ų41.80%021%0.214CC..EExtended strand (participates in β ladder)trans-93.4157.2174.5-51.1172.3000109.4D676 A677 F690 C691 W694 L705D676-L716 WeakPolarHBondContact CB-O 3.42Å; D676-L716 PolarHBondContact N-O 3.17Å; A677-L716 HydrophobicContact CB-CB 4.4Å; A677-L716 HydrophobicContact CB-CD1 4.14Å; A677-L716 PolarHBondContact O-N 2.84Å; F690-L716 HydrophobicContact CD1-CD1 3.43Å; F690-L716 VanDerWaalsContact CD1-CD1 3.43Å; F690-L716 HydrophobicContact CE1-CD1 3.71Å; C691-L716 HydrophobicContact CB-CD2 3.8Å; W694-L716 HydrophobicContact CB-CD1 3.92Å; W694-L716 HydrophobicContact CD2-CB 4.37Å; W694-L716 HydrophobicContact CD2-CD1 3.68Å; W694-L716 HydrophobicContact CE3-CB 4.36Å; W694-L716 HydrophobicContact CE3-CD1 4.35Å; W694-L716 HydrophobicContact CG-CD1 3.48Å; W694-L716 VanDerWaalsContact CG-CD1 3.48Å; L705-L716 HydrophobicContact CB-CD2 4.16Å
717L89.6Confident79.2Confident0 Ų041.7 Ų41.70%021%0.213CC..EExtended strand (participates in β ladder)trans-148.4132.2-175.3-62.2157.8000110.6L671 Y674 S703 S704 M706 V715 E719 Y738L671-L717 HydrophobicContact CB-CD1 4.28Å; L671-L717 HydrophobicContact CD1-CD1 4.1Å; Y674-L717 WeakPolarHBondContact O-CD2 3.46Å; S703-L717 PolarHBondContact N-O 2.76Å; S704-L717 PolarHBondContact N-O 3.36Å; S704-L717 VanDerWaalsContact N-O 3.12Å; S704-L717 WeakPolarHBondContact O-CB 2.96Å; S704-L717 PolarHBondContact O-N 2.76Å; S704-L717 VanDerWaalsContact O-O 3.11Å; S704-L717 VanDerWaalsContact OG-CB 3.3Å; S704-L717 WeakPolarHBondContact OG-CB 3.48Å; S704-L717 VanDerWaalsContact OG-CD1 3.28Å; S704-L717 WeakPolarHBondContact OG-CD1 3.33Å; M706-L717 HydrophobicContact CE-CD1 4.02Å; M706-L717 HydrophobicContact CE-CD2 4.42Å; M706-L717 HydrophobicContact CG-CD1 3.89Å; M706-L717 HydrophobicContact SD-CD1 4.12Å; V715-L717 HydrophobicContact CG1-CD2 4.48Å; L717-E719 VanDerWaalsContact C-N 3.29Å; L717-Y738 HydrophobicContact CD1-CD2 4.43Å; L717-Y738 HydrophobicContact CD1-CE2 4.25Å
718T87.5Confident78.4Confident7 Ų743.2 Ų43.24%0.04322%0.22CC..SBendtrans-81.3-14.4165.459.20000112.7D676 W694 K700 S701 S703D676-T718 VanDerWaalsContact CG-N 3.32Å; D676-T718 WeakPolarHBondContact OD2-CB 3.33Å; D676-T718 WeakPolarHBondContact OD2-CG2 3.39Å; D676-T718 PolarHBondContact OD2-N 2.79Å; D676-T718 VanDerWaalsContact OD2-N 3.09Å; D676-T718 PolarHBondContact OD2-OG1 3.38Å; D676-T718 VanDerWaalsContact OD2-OG1 3.12Å; W694-T718 HydrophobicContact CH2-CG2 3.97Å; W694-T718 HydrophobicContact CZ3-CG2 3.88Å; K700-T718 HydrophobicContact CB-CG2 3.45Å; K700-T718 VanDerWaalsContact CB-CG2 3.45Å; K700-T718 HydrophobicContact CD-CG2 4.2Å; K700-T718 HydrophobicContact CG-CG2 4.49Å; S701-T718 WeakPolarHBondContact O-CG2 3.29Å; S703-T718 WeakPolarHBondContact CB-O 3.28Å; S703-T718 PolarHBondContact OG-O 3.3Å
719E83.7Confident76.8Confident37 Ų3742.6 Ų42.617%0.17322%0.219CC..  trans-94.6168.2176.9-55.5-47.6135.800111K700 S704 L717 T723 I724K700-E719 IonicContact NZ-OE1 3.53Å; S704-E719 PolarHBondContact OG-O 3.27Å; L717-E719 VanDerWaalsContact C-N 3.29Å; E719-T723 WeakPolarHBondContact CA-OG1 3.37Å; E719-T723 WeakPolarHBondContact CB-OG1 3.35Å; E719-T723 VanDerWaalsContact OE2-CB 3.24Å; E719-T723 WeakPolarHBondContact OE2-CB 3.4Å; E719-T723 PolarHBondContact OE2-OG1 3.14Å; E719-I724 HydrophobicContact CB-CD1 3.69Å; E719-I724 HydrophobicContact CB-CG1 3.91Å; E719-I724 HydrophobicContact CG-CD1 4.32Å
720N82.3Confident76.3Confident27 Ų2742 Ų4214%0.14422%0.215CC..  trans-148.9179.3176.967.439.4000110.7K722 T723 I724 Y738 E740N720-K722 PolarHBondContact O-N 3.36Å; N720-K722 WeakPolarHBondContact OD1-CA 3.44Å; N720-K722 VanDerWaalsContact OD1-CB 3.31Å; N720-K722 WeakPolarHBondContact OD1-CB 3.22Å; N720-K722 PolarHBondContact OD1-N 3.4Å; N720-T723 PolarHBondContact N-OG1 2.76Å; N720-T723 PolarHBondContact O-N 3.28Å; N720-T723 VanDerWaalsContact O-N 3.08Å; N720-T723 PolarHBondContact O-OG1 3.32Å; N720-T723 PolarHBondContact OD1-N 3.4Å; N720-T723 VanDerWaalsContact OD1-N 3.16Å; N720-I724 WeakPolarHBondContact O-CG1 3.27Å; N720-I724 PolarHBondContact O-N 3.45Å; N720-I724 VanDerWaalsContact O-N 3.09Å; N720-Y738 VanDerWaalsContact CA-OH 3.29Å; N720-Y738 WeakPolarHBondContact CA-OH 3.43Å; N720-Y738 WeakPolarHBondContact CB-OH 3.42Å; N720-E740 HydrophobicContact CB-CG 4.16Å
721R75.9Confident75.2Confident62 Ų6237.1 Ų37.123%0.23419%0.192CC..THydrogen-bonded Turntrans-61.4-18.3-177.281.7-161.1161.990.7-0.4114.1P725 F728 Y738 E740R721-P725 WeakPolarHBondContact O-CA 3.19Å; R721-P725 WeakPolarHBondContact O-CB 3.34Å; R721-F728 HydrophobicContact CB-CB 4.02Å; R721-F728 HydrophobicContact CB-CD1 3.82Å; R721-F728 HydrophobicContact CB-CD2 3.83Å; R721-F728 HydrophobicContact CB-CE1 4.23Å; R721-F728 HydrophobicContact CB-CE2 4.25Å; R721-F728 HydrophobicContact CB-CG 3.6Å; R721-F728 HydrophobicContact CB-CZ 4.43Å; R721-Y738 PolarHBondContact N-OH 2.69Å; R721-E740 VanDerWaalsContact CD-OE2 3.22Å; R721-E740 WeakPolarHBondContact CD-OE2 3.32Å; R721-E740 WeakPolarHBondContact CG-OE2 3.36Å; R721-E740 IonicContact CZ-OE1 3.19Å; R721-E740 PolarHBondContact N-OE2 2.84Å; R721-E740 VanDerWaalsContact NE-CD 3.35Å; R721-E740 IonicContact NE-OE1 3.37Å; R721-E740 PolarHBondContact NE-OE1 2.92Å; R721-E740 IonicContact NE-OE2 3.94Å; R721-E740 PolarHBondContact NE-OE2 2.92Å; R721-E740 IonicContact NH2-OE1 3.97Å; R721-E740 PolarHBondContact NH2-OE1 2.78Å
722K67.1Low73.8Confident135 Ų13536.5 Ų36.559%0.58719%0.192SC*.THydrogen-bonded Turntrans-87.7-32.1176.8-57.2-175.5178.7-175.90112N720N720-K722 PolarHBondContact O-N 3.36Å; N720-K722 WeakPolarHBondContact OD1-CA 3.44Å; N720-K722 VanDerWaalsContact OD1-CB 3.31Å; N720-K722 WeakPolarHBondContact OD1-CB 3.22Å; N720-K722 PolarHBondContact OD1-N 3.4Å
723T69.1Low72.7Confident75 Ų7542.9 Ų42.946%0.4622%0.224SC..THydrogen-bonded Turntrans-83.8-29.4179.8650000112.8E719 N720E719-T723 WeakPolarHBondContact CA-OG1 3.37Å; E719-T723 WeakPolarHBondContact CB-OG1 3.35Å; E719-T723 VanDerWaalsContact OE2-CB 3.24Å; E719-T723 WeakPolarHBondContact OE2-CB 3.4Å; E719-T723 PolarHBondContact OE2-OG1 3.14Å; N720-T723 PolarHBondContact N-OG1 2.76Å; N720-T723 PolarHBondContact O-N 3.28Å; N720-T723 VanDerWaalsContact O-N 3.08Å; N720-T723 PolarHBondContact O-OG1 3.32Å; N720-T723 PolarHBondContact OD1-N 3.4Å; N720-T723 VanDerWaalsContact OD1-N 3.16Å
724I61.5Low71.4Confident16 Ų1644.6 Ų44.68%0.08223%0.231CC..SBendtrans-135.464.6176.149171.2000112.1L671 Y674 E719 N720 H726 A727L671-I724 HydrophobicContact CB-CD1 4.34Å; L671-I724 HydrophobicContact CD1-CD1 3.91Å; L671-I724 HydrophobicContact CD1-CG1 4.07Å; L671-I724 HydrophobicContact CD2-CD1 3.94Å; L671-I724 HydrophobicContact CD2-CG1 3.83Å; L671-I724 HydrophobicContact CG-CD1 4.29Å; Y674-I724 HydrophobicContact CD1-CD1 3.48Å; Y674-I724 VanDerWaalsContact CD1-CD1 3.48Å; Y674-I724 HydrophobicContact CD2-CD1 3.55Å; Y674-I724 HydrophobicContact CE1-CD1 3.73Å; Y674-I724 HydrophobicContact CE1-CG2 4.29Å; Y674-I724 HydrophobicContact CE2-CD1 3.84Å; Y674-I724 HydrophobicContact CG-CD1 3.39Å; E719-I724 HydrophobicContact CB-CD1 3.69Å; E719-I724 HydrophobicContact CB-CG1 3.91Å; E719-I724 HydrophobicContact CG-CD1 4.32Å; N720-I724 WeakPolarHBondContact O-CG1 3.27Å; N720-I724 PolarHBondContact O-N 3.45Å; N720-I724 VanDerWaalsContact O-N 3.09Å; I724-H726 VanDerWaalsContact C-N 3.29Å; I724-H726 PolarHBondContact O-N 2.71Å; I724-A727 HydrophobicContact CB-CB 4.38Å; I724-A727 HydrophobicContact CD1-CB 4.27Å; I724-A727 PolarHBondContact O-N 3.48Å; I724-A727 VanDerWaalsContact O-N 3.11Å
725P59.7Low70.9Confident85 Ų8546.6 Ų46.655%0.55224%0.244SC*.G310 helixtrans-62.2-30.7-172.724.2-34.4000114.1R721 A727 F728R721-P725 WeakPolarHBondContact O-CA 3.19Å; R721-P725 WeakPolarHBondContact O-CB 3.34Å; P725-A727 PolarHBondContact O-N 3.14Å; P725-F728 PolarHBondContact O-N 2.94Å
726H53Low70.5Confident43 Ų4346.6 Ų46.620%0.19924%0.244CC..G310 helixtrans-66.5-25178.464.6-105.2000113.1D201 Y203 I724D201-H726 PolarHBondContact O-CE1 3.18Å; D201-H726 VanDerWaalsContact O-CE1 3.29Å; Y203-H726 HydrophobicContact CE2-CB 4.45Å; I724-H726 VanDerWaalsContact C-N 3.29Å; I724-H726 PolarHBondContact O-N 2.71Å
727A64.5Low70.1Confident0 Ų046.8 Ų46.80%025%0.246CC..G310 helixtrans-89.5-10.4179.700000112.6L671 A672 Y674 I724 P725 V729L671-A727 CarbonylContact C-O 3.55Å; L671-A727 WeakPolarHBondContact CA-O 3.41Å; L671-A727 HydrophobicContact CD2-CB 4.14Å; A672-A727 PolarHBondContact N-O 3.12Å; Y674-A727 HydrophobicContact CD2-CB 3.72Å; Y674-A727 HydrophobicContact CE2-CB 3.44Å; Y674-A727 VanDerWaalsContact CE2-CB 3.44Å; I724-A727 HydrophobicContact CB-CB 4.38Å; I724-A727 HydrophobicContact CD1-CB 4.27Å; I724-A727 PolarHBondContact O-N 3.48Å; I724-A727 VanDerWaalsContact O-N 3.11Å; P725-A727 PolarHBondContact O-N 3.14Å; A727-V729 PolarHBondContact O-N 3.45Å; A727-V729 VanDerWaalsContact O-N 3.11Å
728F74.6Confident69.9Low41 Ų4146.8 Ų46.818%0.1825%0.246CC..EExtended strand (participates in β ladder)trans-80.793.3-179-169.6-115.1000110.8F666 F669 L671 R721 P725 Y738F666-F728 HydrophobicContact CB-CZ 4.12Å; F666-F728 HydrophobicContact CD1-CE1 4.31Å; F666-F728 AromaticContact CD1-CZ 3.9Å; F666-F728 HydrophobicContact CD1-CZ 3.9Å; F666-F728 HydrophobicContact CD2-CZ 4.32Å; F666-F728 HydrophobicContact CE1-CE1 4.46Å; F666-F728 HydrophobicContact CE1-CZ 4.34Å; F666-F728 AromaticContact CG-CZ 3.88Å; F666-F728 HydrophobicContact CG-CZ 3.88Å; F669-F728 HydrophobicContact CB-CE2 3.69Å; F669-F728 HydrophobicContact CB-CZ 3.64Å; F669-F728 HydrophobicContact CD1-CD1 4.19Å; F669-F728 AromaticContact CD1-CE1 3.57Å; F669-F728 HydrophobicContact CD1-CE1 3.57Å; F669-F728 HydrophobicContact CD1-CE2 4.14Å; F669-F728 AromaticContact CD1-CZ 3.54Å; F669-F728 HydrophobicContact CD1-CZ 3.54Å; F669-F728 HydrophobicContact CE1-CE1 4.06Å; F669-F728 HydrophobicContact CE1-CZ 4.4Å; F669-F728 HydrophobicContact CG-CE1 4.17Å; F669-F728 HydrophobicContact CG-CE2 4.21Å; F669-F728 AromaticContact CG-CZ 3.68Å; F669-F728 HydrophobicContact CG-CZ 3.68Å; L671-F728 HydrophobicContact CD2-CB 3.71Å; L671-F728 HydrophobicContact CD2-CD2 3.93Å; L671-F728 HydrophobicContact CD2-CG 4.31Å; L671-F728 HydrophobicContact CG-CD2 4.22Å; R721-F728 HydrophobicContact CB-CB 4.02Å; R721-F728 HydrophobicContact CB-CD1 3.82Å; R721-F728 HydrophobicContact CB-CD2 3.83Å; R721-F728 HydrophobicContact CB-CE1 4.23Å; R721-F728 HydrophobicContact CB-CE2 4.25Å; R721-F728 HydrophobicContact CB-CG 3.6Å; R721-F728 HydrophobicContact CB-CZ 4.43Å; P725-F728 PolarHBondContact O-N 2.94Å; F728-Y738 HydrophobicContact CD2-CD1 4.45Å; F728-Y738 HydrophobicContact CD2-CE1 4.33Å; F728-Y738 AromaticContact CE2-CD1 3.4Å; F728-Y738 HydrophobicContact CE2-CD1 3.4Å; F728-Y738 VanDerWaalsContact CE2-CD1 3.4Å; F728-Y738 HydrophobicContact CE2-CD2 4.19Å; F728-Y738 AromaticContact CE2-CE1 3.54Å; F728-Y738 HydrophobicContact CE2-CE1 3.54Å; F728-Y738 HydrophobicContact CE2-CE2 4.32Å; F728-Y738 AromaticContact CE2-CG 3.74Å; F728-Y738 HydrophobicContact CE2-CG 3.74Å; F728-Y738 AromaticContact CZ-CD1 3.91Å; F728-Y738 HydrophobicContact CZ-CD1 3.91Å; F728-Y738 HydrophobicContact CZ-CE1 4.08Å
729V59.1Low70Confident17 Ų1746.7 Ų46.710%0.10324%0.244CC..EExtended strand (participates in β ladder)trans-111.9146.8-172.1-58.70000111.9Y219 F669 L670 A672 A727Y219-V729 HydrophobicContact CD1-CG1 4.46Å; F669-V729 WeakPolarHBondContact CA-O 3.16Å; F669-V729 WeakPolarHBondContact CD1-O 3.47Å; L670-V729 HydrophobicContact CD1-CG2 3.49Å; L670-V729 VanDerWaalsContact CD1-CG2 3.49Å; L670-V729 HydrophobicContact CG-CG2 3.87Å; L670-V729 PolarHBondContact N-O 2.99Å; L670-V729 VanDerWaalsContact N-O 3.08Å; L670-V729 PolarHBondContact O-N 3.2Å; A672-V729 HydrophobicContact CB-CG1 4.37Å; A672-V729 HydrophobicContact CB-CG2 3.8Å; A727-V729 PolarHBondContact O-N 3.45Å; A727-V729 VanDerWaalsContact O-N 3.11Å
730F66.2Low70.1Confident96 Ų9645.1 Ų45.142%0.42124%0.237SC..EExtended strand (participates in β ladder)trans-84.8125.6166.7-175.3-121.7000109.2H668 F669 P732H668-F730 HydrophobicContact CB-CD2 4.09Å; H668-F730 HydrophobicContact CB-CE2 3.7Å; H668-F730 HydrophobicContact CB-CZ 4.47Å; H668-F730 CarbonylContact O-C 3.52Å; F669-F730 HydrophobicContact CD1-CB 4.17Å; F669-F730 HydrophobicContact CD1-CD2 4.41Å; F669-F730 AromaticContact CD2-CD2 4Å; F669-F730 HydrophobicContact CD2-CD2 4Å; F669-F730 HydrophobicContact CE1-CB 3.62Å; F669-F730 AromaticContact CE1-CD2 3.94Å; F669-F730 HydrophobicContact CE1-CD2 3.94Å; F669-F730 HydrophobicContact CE1-CG 4.21Å; F669-F730 AromaticContact CE2-CD2 3.47Å; F669-F730 HydrophobicContact CE2-CD2 3.47Å; F669-F730 VanDerWaalsContact CE2-CD2 3.47Å; F669-F730 AromaticContact CE2-CE2 3.97Å; F669-F730 HydrophobicContact CE2-CE2 3.97Å; F669-F730 HydrophobicContact CE2-CG 4.46Å; F669-F730 HydrophobicContact CG-CD2 4.43Å; F669-F730 HydrophobicContact CZ-CB 3.92Å; F669-F730 AromaticContact CZ-CD2 3.42Å; F669-F730 HydrophobicContact CZ-CD2 3.42Å; F669-F730 VanDerWaalsContact CZ-CD2 3.42Å; F669-F730 HydrophobicContact CZ-CE2 4.22Å; F669-F730 AromaticContact CZ-CG 3.99Å; F669-F730 HydrophobicContact CZ-CG 3.99Å; F730-P732 HydrophobicContact CD1-CB 4.41Å; F730-P732 HydrophobicContact CD1-CG 4.17Å; F730-P732 HydrophobicContact CE1-CB 3.7Å; F730-P732 HydrophobicContact CE1-CG 3.82Å; F730-P732 HydrophobicContact CZ-CB 3.82Å; F730-P732 HydrophobicContact CZ-CG 4.44Å
731S58.8Low70.1Confident32 Ų3245.1 Ų45.122%0.22424%0.236CC..  trans-128.678.8178.9-1680000109.5H668 N733 E734H668-S731 PolarHBondContact O-N 2.93Å; S731-N733 PolarHBondContact O-N 3.1Å; S731-E734 PolarHBondContact O-N 2.94Å; S731-E734 WeakPolarHBondContact OG-CG 3.35Å
732P51.1Low70Confident70 Ų7045 Ų4546%0.45524%0.239SC..THydrogen-bonded Turntrans-62.5-15.1-170.924.1-33.9000114.7F730F730-P732 HydrophobicContact CD1-CB 4.41Å; F730-P732 HydrophobicContact CD1-CG 4.17Å; F730-P732 HydrophobicContact CE1-CB 3.7Å; F730-P732 HydrophobicContact CE1-CG 3.82Å; F730-P732 HydrophobicContact CZ-CB 3.82Å; F730-P732 HydrophobicContact CZ-CG 4.44Å
733N60.3Low69.5Low144 Ų14441.3 Ų41.377%0.7723%0.23SC*.THydrogen-bonded Turntrans-92.3-7.3178.2-57.4-35.1000113S731S731-N733 PolarHBondContact O-N 3.1Å
734E61.8Low68.6Low50 Ų5043 Ų4323%0.23425%0.245CC..SBendtrans-99.1126.3176.9-68.2-75.7158.800108.7H668 L670 W708 S731 V736H668-E734 PolarHBondContact ND1-O 2.67Å; L670-E734 HydrophobicContact CD2-CG 4.41Å; W708-E734 PolarHBondContact NE1-OE2 2.98Å; S731-E734 PolarHBondContact O-N 2.94Å; S731-E734 WeakPolarHBondContact OG-CG 3.35Å; E734-V736 HydrophobicContact CB-CB 4.33Å; E734-V736 HydrophobicContact CB-CG1 3.73Å; E734-V736 PolarHBondContact O-N 2.89Å
735P80.1Confident67.7Low41 Ų4144.7 Ų44.727%0.26625%0.254SS..  trans-78.445.1175.533-33.1000111W708 E709 D710W708-P735 WeakPolarHBondContact CA-O 3.27Å; E709-P735 PolarHBondContact N-O 2.92Å; D710-P735 HydrophobicContact CB-CG 4.24Å; D710-P735 VanDerWaalsContact CG-CG 3.42Å; D710-P735 WeakPolarHBondContact OD1-CB 3.27Å; D710-P735 WeakPolarHBondContact OD1-CG 3.24Å; D710-P735 WeakPolarHBondContact OD2-CG 3.49Å
736V82.7Confident66.6Low1 Ų143.4 Ų43.41%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-95.7139.8-179.864.40000109.9H668 L670 M706 H707 W708 E734H668-V736 VanDerWaalsContact CA-O 3.23Å; H668-V736 WeakPolarHBondContact CA-O 3.32Å; H668-V736 PolarHBondContact N-O 3.28Å; L670-V736 HydrophobicContact CB-CG1 4.25Å; L670-V736 HydrophobicContact CB-CG2 4.45Å; L670-V736 HydrophobicContact CD2-CG1 4.06Å; M706-V736 HydrophobicContact CB-CG2 3.88Å; H707-V736 CarbonylContact O-C 3.51Å; H707-V736 WeakPolarHBondContact O-CA 3.46Å; W708-V736 HydrophobicContact CD2-CB 3.88Å; W708-V736 HydrophobicContact CD2-CG2 3.75Å; W708-V736 HydrophobicContact CE3-CB 4.37Å; W708-V736 HydrophobicContact CE3-CG2 3.71Å; W708-V736 HydrophobicContact CG-CB 4.26Å; W708-V736 HydrophobicContact CH2-CB 4.38Å; W708-V736 HydrophobicContact CH2-CG2 3.67Å; W708-V736 HydrophobicContact CZ2-CB 3.9Å; W708-V736 HydrophobicContact CZ2-CG2 3.71Å; W708-V736 HydrophobicContact CZ3-CG2 3.67Å; E734-V736 HydrophobicContact CB-CB 4.33Å; E734-V736 HydrophobicContact CB-CG1 3.73Å; E734-V736 PolarHBondContact O-N 2.89Å
737T83.4Confident65.8Low4 Ų447 Ų473%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-118.2118.2166.7-59.70000109.6R665 E667 M706 H707 F739R665-T737 HydrophobicContact CG-CG2 3.42Å; R665-T737 VanDerWaalsContact CG-CG2 3.42Å; R665-T737 PolarHBondContact NH1-OG1 3.32Å; E667-T737 HydrophobicContact CG-CG2 4.45Å; M706-T737 CarbonylContact C-O 3.03Å; M706-T737 WeakPolarHBondContact CA-O 3.4Å; H707-T737 PolarHBondContact N-O 3.13Å; H707-T737 PolarHBondContact O-N 3Å; T737-F739 HydrophobicContact CG2-CD1 4.38Å; T737-F739 HydrophobicContact CG2-CD2 3.75Å; T737-F739 HydrophobicContact CG2-CE1 3.95Å; T737-F739 HydrophobicContact CG2-CE2 3.29Å; T737-F739 HydrophobicContact CG2-CG 4.32Å; T737-F739 HydrophobicContact CG2-CZ 3.42Å; T737-F739 VanDerWaalsContact CG2-CZ 3.42Å; T737-F739 WeakPolarHBondContact O-CD2 3.38Å
738Y85.3Confident64.5Low0 Ų054.6 Ų54.60%030%0.297CS..EExtended strand (participates in β ladder)trans-80.6138.3168.1169.6-91.6000110.1F666 F669 L671 S704 L705 M706 L717 N720 R721 F728 E740F666-Y738 HydrophobicContact CB-CD1 4.07Å; F666-Y738 AromaticContact CD2-CD1 3.59Å; F666-Y738 HydrophobicContact CD2-CD1 3.59Å; F666-Y738 AromaticContact CD2-CE1 3.91Å; F666-Y738 HydrophobicContact CD2-CE1 3.91Å; F666-Y738 HydrophobicContact CE2-CD1 4.33Å; F666-Y738 HydrophobicContact CE2-CE1 4.2Å; F666-Y738 HydrophobicContact CG-CD1 4.13Å; F666-Y738 PolarHBondContact N-O 3.25Å; F666-Y738 PolarHBondContact O-N 3.15Å; F669-Y738 WeakPolarHBondContact O-CB 3.23Å; F669-Y738 PolarHBondContact O-N 2.9Å; L671-Y738 HydrophobicContact CD1-CE2 3.67Å; L671-Y738 HydrophobicContact CG-CD2 4.43Å; L671-Y738 HydrophobicContact CG-CE2 3.9Å; S704-Y738 WeakPolarHBondContact CB-OH 3.46Å; S704-Y738 VanDerWaalsContact OG-CE2 3.26Å; S704-Y738 WeakPolarHBondContact OG-CE2 2.88Å; L705-Y738 CarbonylContact O-C 3.54Å; L705-Y738 WeakPolarHBondContact O-CA 3.43Å; M706-Y738 HydrophobicContact CG-CD2 3.89Å; L717-Y738 HydrophobicContact CD1-CD2 4.43Å; L717-Y738 HydrophobicContact CD1-CE2 4.25Å; N720-Y738 VanDerWaalsContact CA-OH 3.29Å; N720-Y738 WeakPolarHBondContact CA-OH 3.43Å; N720-Y738 WeakPolarHBondContact CB-OH 3.42Å; R721-Y738 PolarHBondContact N-OH 2.69Å; F728-Y738 HydrophobicContact CD2-CD1 4.45Å; F728-Y738 HydrophobicContact CD2-CE1 4.33Å; F728-Y738 AromaticContact CE2-CD1 3.4Å; F728-Y738 HydrophobicContact CE2-CD1 3.4Å; F728-Y738 VanDerWaalsContact CE2-CD1 3.4Å; F728-Y738 HydrophobicContact CE2-CD2 4.19Å; F728-Y738 AromaticContact CE2-CE1 3.54Å; F728-Y738 HydrophobicContact CE2-CE1 3.54Å; F728-Y738 HydrophobicContact CE2-CE2 4.32Å; F728-Y738 AromaticContact CE2-CG 3.74Å; F728-Y738 HydrophobicContact CE2-CG 3.74Å; F728-Y738 AromaticContact CZ-CD1 3.91Å; F728-Y738 HydrophobicContact CZ-CD1 3.91Å; F728-Y738 HydrophobicContact CZ-CE1 4.08Å; Y738-E740 HydrophobicContact CE1-CB 3.74Å; Y738-E740 PolarHBondContact OH-OE2 2.71Å
739F89.7Confident62.7Low4 Ų458.1 Ų58.12%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-129.8117.1178.4-65.6-90.8000110.7Y663 L664 R665 S684 K688 S704 L705 H707 T737Y663-F739 HydrophobicContact CD1-CB 3.8Å; Y663-F739 HydrophobicContact CG-CB 4.37Å; L664-F739 CarbonylContact O-C 3.28Å; L664-F739 WeakPolarHBondContact O-CA 3.14Å; R665-F739 HydrophobicContact CB-CD1 3.98Å; R665-F739 HydrophobicContact CB-CE1 3.8Å; R665-F739 HydrophobicContact CG-CD1 4.2Å; R665-F739 HydrophobicContact CG-CE1 3.66Å; R665-F739 HydrophobicContact CG-CZ 4.19Å; S684-F739 WeakPolarHBondContact OG-CE2 3.49Å; S684-F739 WeakPolarHBondContact OG-CZ 3.21Å; K688-F739 VanDerWaalsContact CE-CD1 3.43Å; S704-F739 CarbonylContact C-O 3.44Å; S704-F739 WeakPolarHBondContact CA-O 3.3Å; S704-F739 WeakPolarHBondContact CB-O 3.33Å; L705-F739 HydrophobicContact CD1-CB 3.74Å; L705-F739 HydrophobicContact CD1-CD2 3.42Å; L705-F739 VanDerWaalsContact CD1-CD2 3.42Å; L705-F739 HydrophobicContact CD1-CE2 4.33Å; L705-F739 HydrophobicContact CD1-CG 3.98Å; L705-F739 HydrophobicContact CG-CB 3.9Å; L705-F739 HydrophobicContact CG-CD2 4.48Å; L705-F739 PolarHBondContact N-O 3.04Å; L705-F739 PolarHBondContact O-N 2.65Å; H707-F739 HydrophobicContact CB-CE2 4.22Å; T737-F739 HydrophobicContact CG2-CD1 4.38Å; T737-F739 HydrophobicContact CG2-CD2 3.75Å; T737-F739 HydrophobicContact CG2-CE1 3.95Å; T737-F739 HydrophobicContact CG2-CE2 3.29Å; T737-F739 HydrophobicContact CG2-CG 4.32Å; T737-F739 HydrophobicContact CG2-CZ 3.42Å; T737-F739 VanDerWaalsContact CG2-CZ 3.42Å; T737-F739 WeakPolarHBondContact O-CD2 3.38Å
740E84.9Confident61.7Low4 Ų462.7 Ų62.72%0.01933%0.334CS..EExtended strand (participates in β ladder)trans-95.4121.8-179.9-173.9161.4103.700111.5Y663 L664 N720 R721 Y738Y663-E740 CarbonylContact C-O 3.48Å; Y663-E740 VanDerWaalsContact CA-O 3.24Å; Y663-E740 WeakPolarHBondContact CA-O 3.45Å; L664-E740 HydrophobicContact CB-CB 4.21Å; L664-E740 PolarHBondContact N-O 3.15Å; L664-E740 PolarHBondContact O-N 2.94Å; N720-E740 HydrophobicContact CB-CG 4.16Å; R721-E740 VanDerWaalsContact CD-OE2 3.22Å; R721-E740 WeakPolarHBondContact CD-OE2 3.32Å; R721-E740 WeakPolarHBondContact CG-OE2 3.36Å; R721-E740 IonicContact CZ-OE1 3.19Å; R721-E740 PolarHBondContact N-OE2 2.84Å; R721-E740 VanDerWaalsContact NE-CD 3.35Å; R721-E740 IonicContact NE-OE1 3.37Å; R721-E740 PolarHBondContact NE-OE1 2.92Å; R721-E740 IonicContact NE-OE2 3.94Å; R721-E740 PolarHBondContact NE-OE2 2.92Å; R721-E740 IonicContact NH2-OE1 3.97Å; R721-E740 PolarHBondContact NH2-OE1 2.78Å; Y738-E740 HydrophobicContact CE1-CB 3.74Å; Y738-E740 PolarHBondContact OH-OE2 2.71Å
741K83.7Confident59.9Low28 Ų2863.8 Ų63.812%0.12234%0.341CS..EExtended strand (participates in β ladder)trans-82.2124.5-177.1-164.3-167.7-172.1-169.30110.4C661 Y662 Y663 C702 S703 C743C661-K741 HydrophobicContact CB-CG 4.4Å; Y662-K741 WeakPolarHBondContact O-CA 3.16Å; Y663-K741 HydrophobicContact CD1-CB 4.07Å; Y663-K741 HydrophobicContact CD1-CG 4.46Å; Y663-K741 HydrophobicContact CE1-CB 3.6Å; Y663-K741 HydrophobicContact CE1-CG 3.81Å; Y663-K741 HydrophobicContact CE2-CG 4.48Å; C702-K741 WeakPolarHBondContact O-CD 3.27Å; S703-K741 WeakPolarHBondContact O-CB 3.46Å; S703-K741 PolarHBondContact O-N 3.21Å; K741-C743 WeakPolarHBondContact CE-SG 3.33Å
742I72.9Confident58.6Low58 Ų5868.6 Ų68.630%0.29737%0.369SS..EExtended strand (participates in β ladder)trans-120.2117.8177.3-59.4-176.9000108.9C661 Y662 L664 L745C661-I742 CarbonylContact C-O 3.58Å; C661-I742 VanDerWaalsContact CA-O 3.24Å; C661-I742 WeakPolarHBondContact CA-O 3.28Å; Y662-I742 PolarHBondContact N-O 3.11Å; Y662-I742 PolarHBondContact O-N 3.14Å; L664-I742 HydrophobicContact CD1-CD1 3.66Å; L664-I742 HydrophobicContact CD2-CD1 4.24Å; L664-I742 HydrophobicContact CG-CD1 3.69Å; I742-L745 HydrophobicContact CG2-CD1 4.23Å
743C57.9Low59Low59 Ų5968.6 Ų68.640%0.39936%0.364SS..  trans-128.570.2-174.9-61.90000111.3C661 K741C661-C743 HydrophobicContact CB-CB 4.13Å; C661-C743 WeakPolarHBondContact CB-SG 3.25Å; C661-C743 WeakPolarHBondContact SG-CB 3.31Å; C661-C743 CovalentContact SG-SG 2.03Å; C661-C743 PolarHBondContact SG-SG 3.22Å; K741-C743 WeakPolarHBondContact CE-SG 3.33Å
744S48.6Very low58.9Low111 Ų11164.6 Ų64.678%0.77634%0.343SS*.  trans-173.369168.6-178.40000110.4
745L43.8Very low58.7Low51 Ų5165.4 Ų65.427%0.26735%0.349SS..  trans-133.4120.7176.9-67.7161.3000108.1Y662 I742 M749 F750Y662-L745 HydrophobicContact CD2-CD1 3.8Å; Y662-L745 HydrophobicContact CE2-CB 4.38Å; Y662-L745 HydrophobicContact CE2-CD1 4.07Å; I742-L745 HydrophobicContact CG2-CD1 4.23Å; L745-M749 HydrophobicContact CD2-CE 3.77Å; L745-M749 HydrophobicContact CD2-SD 3.57Å; L745-M749 VanDerWaalsContact CD2-SD 3.57Å; L745-F750 HydrophobicContact CB-CE2 4.02Å; L745-F750 HydrophobicContact CD1-CE2 3.92Å; L745-F750 HydrophobicContact CD1-CZ 4.04Å; L745-F750 HydrophobicContact CG-CE2 4.37Å
746S36.7Very low57.5Low58 Ų5866.8 Ų66.841%0.40635%0.354SS..  trans-69.6157.3173.971.40000110E748 M749S746-E748 WeakPolarHBondContact CB-OE2 3.47Å; S746-E748 PolarHBondContact O-N 3.43Å; S746-E748 VanDerWaalsContact O-N 3.16Å; S746-E748 PolarHBondContact OG-OE2 3.39Å; S746-M749 PolarHBondContact O-N 2.87Å
747K35Very low55.9Low118 Ų11870.9 Ų70.951%0.51338%0.376SS..G310 helixtrans-62.2-23.2-176.3-163171176-82.70112M749 F750 E751K747-M749 VanDerWaalsContact C-N 3.31Å; K747-M749 PolarHBondContact O-N 3.36Å; K747-F750 PolarHBondContact O-N 3.1Å; K747-E751 WeakPolarHBondContact CE-OE1 2.89Å; K747-E751 IonicContact NZ-OE1 3.41Å; K747-E751 PolarHBondContact NZ-OE1 2.87Å; K747-E751 IonicContact NZ-OE2 3.07Å; K747-E751 PolarHBondContact NZ-OE2 3.21Å
748E37.2Very low54Low160 Ų16075.4 Ų75.475%0.74840%0.399SS*.G310 helixtrans-70.4-17.6-178.6-59.3129.6162.600114.4S746 F750S746-E748 WeakPolarHBondContact CB-OE2 3.47Å; S746-E748 PolarHBondContact O-N 3.43Å; S746-E748 VanDerWaalsContact O-N 3.16Å; S746-E748 PolarHBondContact OG-OE2 3.39Å; E748-F750 VanDerWaalsContact C-N 3.26Å; E748-F750 PolarHBondContact O-N 2.85Å
749M37.1Very low51.8Low114 Ų11480.8 Ų80.856%0.56243%0.428SS*.G310 helixtrans-78.6-4.2176.7-80.1-17464.600114.4L745 S746 K747L745-M749 HydrophobicContact CD2-CE 3.77Å; L745-M749 HydrophobicContact CD2-SD 3.57Å; L745-M749 VanDerWaalsContact CD2-SD 3.57Å; S746-M749 PolarHBondContact O-N 2.87Å; K747-M749 VanDerWaalsContact C-N 3.31Å; K747-M749 PolarHBondContact O-N 3.36Å
750F38.6Very low48.9Very low113 Ų11386.7 Ų86.750%0.49646%0.459SS..SBendtrans-136.64.2-173.3-63.3-77.3000114.5Y662 L745 K747 E748Y662-F750 HydrophobicContact CE2-CE2 4.17Å; L745-F750 HydrophobicContact CB-CE2 4.02Å; L745-F750 HydrophobicContact CD1-CE2 3.92Å; L745-F750 HydrophobicContact CD1-CZ 4.04Å; L745-F750 HydrophobicContact CG-CE2 4.37Å; K747-F750 PolarHBondContact O-N 3.1Å; E748-F750 VanDerWaalsContact C-N 3.26Å; E748-F750 PolarHBondContact O-N 2.85Å
751E27.8Very low45.9Very low120 Ų12093.6 Ų93.656%0.56150%0.496SS*.  trans-109.364.3174.7-79.3172.8-165.800110.1K747K747-E751 WeakPolarHBondContact CE-OE1 2.89Å; K747-E751 IonicContact NZ-OE1 3.41Å; K747-E751 PolarHBondContact NZ-OE1 2.87Å; K747-E751 IonicContact NZ-OE2 3.07Å; K747-E751 PolarHBondContact NZ-OE2 3.21Å
752V31.4Very low42.5Very low133 Ų13399.5 Ų99.581%0.80653%0.53SS*.  trans-123.50135.7-174.60000111.4R511R511-V752 VanDerWaalsContact CZ-O 3.32Å; R511-V752 PolarHBondContact NH2-O 2.88Å

Retrieved 752 of 752 residues in 411.6 ms (Link to these results)

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