A0A096MVW2_PAPAN Loading...

Scavenger receptor class B member 2

AlphaFold DB (I7G3B9), UniProt , Accession A0A096MVW2, Species PAPAN (Papio anubis, Olive baboon), Gene SCARB2, Length 478 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
1M49.7Very low72.1Confident216 Ų21695.1 Ų95.1100%1.06452%0.518SS*.  0-44.80-105.9164172.100113.6R3 C4 C5M1-R3 PolarHBondContact O-N 2.92Å; M1-C4 PolarHBondContact O-N 2.83Å; M1-C5 PolarHBondContact O-N 3.41Å
2G59.1Low73.7Confident59 Ų5993.3 Ų93.361%0.60851%0.507SS*.Hα-helixtrans-59.3-39-174.900000117.4C4 C5 F6G2-C4 VanDerWaalsContact C-N 3.35Å; G2-C4 PolarHBondContact O-N 3.4Å; G2-C5 PolarHBondContact O-N 2.89Å; G2-F6 PolarHBondContact O-N 2.95Å; G2-F6 VanDerWaalsContact O-N 3.11Å
3R62.3Low75.1Confident209 Ų20987 Ų8779%0.78947%0.474SS*.Hα-helixtrans-65.2-34178.2-81180137.2172.6-4.1113.6M1 Y7M1-R3 PolarHBondContact O-N 2.92Å; R3-Y7 WeakPolarHBondContact O-CD2 3.41Å; R3-Y7 PolarHBondContact O-N 3.33Å
4C63.8Low76.3Confident91 Ų9189.1 Ų89.162%0.61548%0.484SS*.Hα-helixtrans-71.1-46.9179.1-165.90000110.3M1 G2 F6 Y7 T8M1-C4 PolarHBondContact O-N 2.83Å; G2-C4 VanDerWaalsContact C-N 3.35Å; G2-C4 PolarHBondContact O-N 3.4Å; C4-F6 PolarHBondContact O-N 2.89Å; C4-Y7 PolarHBondContact O-N 3.07Å; C4-T8 VanDerWaalsContact O-CG2 3.26Å; C4-T8 WeakPolarHBondContact O-CG2 3.46Å; C4-T8 PolarHBondContact O-N 3.03Å; C4-T8 PolarHBondContact O-OG1 3.05Å
5C65.4Low77.5Confident74 Ų7490.3 Ų90.350%0.549%0.489SS..Hα-helixtrans-58.3-33.5174.7-69.60000113.5M1 G2 T8 A9M1-C5 PolarHBondContact O-N 3.41Å; G2-C5 PolarHBondContact O-N 2.89Å; C5-T8 VanDerWaalsContact C-OG1 3.31Å; C5-T8 VanDerWaalsContact CA-OG1 3.24Å; C5-T8 WeakPolarHBondContact CA-OG1 3.47Å; C5-T8 PolarHBondContact O-OG1 2.89Å; C5-A9 WeakPolarHBondContact O-CB 3.34Å; C5-A9 PolarHBondContact O-N 2.76Å; C5-A9 VanDerWaalsContact O-N 3.09Å
6F74.2Confident78.5Confident50 Ų5086.9 Ų86.922%0.21947%0.47CS..Hα-helixtrans-66-54.7178.1-177.9-102.1000112.5G2 C4 T8 A9 G10 F453 L456 A457G2-F6 PolarHBondContact O-N 2.95Å; G2-F6 VanDerWaalsContact O-N 3.11Å; C4-F6 PolarHBondContact O-N 2.89Å; F6-T8 VanDerWaalsContact C-N 3.32Å; F6-T8 PolarHBondContact O-N 2.95Å; F6-A9 PolarHBondContact O-N 3.04Å; F6-G10 PolarHBondContact O-N 3.33Å; F6-F453 AromaticContact CD1-CE2 3.84Å; F6-F453 HydrophobicContact CD1-CE2 3.84Å; F6-F453 HydrophobicContact CD2-CD2 4.01Å; F6-F453 AromaticContact CD2-CE2 3.91Å; F6-F453 HydrophobicContact CD2-CE2 3.91Å; F6-F453 HydrophobicContact CE1-CD2 4.43Å; F6-F453 AromaticContact CE1-CE2 3.41Å; F6-F453 HydrophobicContact CE1-CE2 3.41Å; F6-F453 VanDerWaalsContact CE1-CE2 3.41Å; F6-F453 AromaticContact CE1-CZ 3.75Å; F6-F453 HydrophobicContact CE1-CZ 3.75Å; F6-F453 AromaticContact CE2-CD2 3.77Å; F6-F453 HydrophobicContact CE2-CD2 3.77Å; F6-F453 AromaticContact CE2-CE2 3.47Å; F6-F453 HydrophobicContact CE2-CE2 3.47Å; F6-F453 VanDerWaalsContact CE2-CE2 3.47Å; F6-F453 AromaticContact CE2-CZ 3.98Å; F6-F453 HydrophobicContact CE2-CZ 3.98Å; F6-F453 HydrophobicContact CG-CD2 4.44Å; F6-F453 HydrophobicContact CG-CE2 4.08Å; F6-F453 HydrophobicContact CZ-CD2 4.01Å; F6-F453 HydrophobicContact CZ-CE1 4.3Å; F6-F453 AromaticContact CZ-CE2 3.22Å; F6-F453 HydrophobicContact CZ-CE2 3.22Å; F6-F453 AromaticContact CZ-CZ 3.4Å; F6-F453 HydrophobicContact CZ-CZ 3.4Å; F6-F453 WeakPolarHBondContact O-CD2 3.37Å; F6-F453 WeakPolarHBondContact O-CE2 3.28Å; F6-L456 HydrophobicContact CD2-CB 4.01Å; F6-L456 HydrophobicContact CE2-CB 4.35Å; F6-A457 HydrophobicContact CE2-CB 3.76Å; F6-A457 HydrophobicContact CZ-CB 3.97Å
7Y78.2Confident79.4Confident151 Ų15185.1 Ų85.159%0.59246%0.46SS*.Hα-helixtrans-66.3-35.1179.4-71.1-69.6000112.1R3 C4 G10 T11R3-Y7 WeakPolarHBondContact O-CD2 3.41Å; R3-Y7 PolarHBondContact O-N 3.33Å; C4-Y7 PolarHBondContact O-N 3.07Å; Y7-G10 PolarHBondContact O-N 2.9Å; Y7-T11 WeakPolarHBondContact O-CG2 3.48Å; Y7-T11 PolarHBondContact O-N 3.22Å; Y7-T11 PolarHBondContact O-OG1 3.35Å
8T82.6Confident80.3Confident73 Ų7384.9 Ų84.945%0.44846%0.462SS..Hα-helixtrans-66.6-36.2176.755.10000112.8C4 C5 F6 T11 L12C4-T8 VanDerWaalsContact O-CG2 3.26Å; C4-T8 WeakPolarHBondContact O-CG2 3.46Å; C4-T8 PolarHBondContact O-N 3.03Å; C4-T8 PolarHBondContact O-OG1 3.05Å; C5-T8 VanDerWaalsContact C-OG1 3.31Å; C5-T8 VanDerWaalsContact CA-OG1 3.24Å; C5-T8 WeakPolarHBondContact CA-OG1 3.47Å; C5-T8 PolarHBondContact O-OG1 2.89Å; F6-T8 VanDerWaalsContact C-N 3.32Å; F6-T8 PolarHBondContact O-N 2.95Å; T8-T11 PolarHBondContact O-OG1 3.38Å; T8-L12 WeakPolarHBondContact O-CB 3.47Å; T8-L12 PolarHBondContact O-N 3.38Å
9A83.6Confident80.9Confident11 Ų1183.5 Ų83.59%0.09146%0.456CS..Hα-helixtrans-68.6-41.8178.100000111.7C5 F6 S13 F453C5-A9 WeakPolarHBondContact O-CB 3.34Å; C5-A9 PolarHBondContact O-N 2.76Å; C5-A9 VanDerWaalsContact O-N 3.09Å; F6-A9 PolarHBondContact O-N 3.04Å; A9-S13 WeakPolarHBondContact O-CB 3.46Å; A9-S13 PolarHBondContact O-N 2.98Å; A9-F453 HydrophobicContact CB-CB 4.45Å
10G85.4Confident81.5Confident20 Ų2079.3 Ų79.321%0.20643%0.433CS..Hα-helixtrans-66.9-45177.600000113.1F6 Y7 S13 L14F6-G10 PolarHBondContact O-N 3.33Å; Y7-G10 PolarHBondContact O-N 2.9Å; G10-S13 PolarHBondContact O-N 2.87Å; G10-L14 PolarHBondContact O-N 3.48Å; G10-L14 VanDerWaalsContact O-N 3.1Å
11T88.6Confident82Confident92 Ų9279.2 Ų79.256%0.56444%0.435SS*.Hα-helixtrans-67.4-39.2177.555.60000112.1Y7 T8 L14 L15Y7-T11 WeakPolarHBondContact O-CG2 3.48Å; Y7-T11 PolarHBondContact O-N 3.22Å; Y7-T11 PolarHBondContact O-OG1 3.35Å; T8-T11 PolarHBondContact O-OG1 3.38Å; T11-L14 PolarHBondContact O-N 3.2Å; T11-L15 WeakPolarHBondContact O-CB 3.24Å; T11-L15 PolarHBondContact O-N 3.29Å
12L91.3Very high84Confident73 Ų7372.9 Ų72.938%0.38241%0.409SS..Hα-helixtrans-63.9-44.7175.7-177.263.8000111.7T8 L14 L15 L16 F449T8-L12 WeakPolarHBondContact O-CB 3.47Å; T8-L12 PolarHBondContact O-N 3.38Å; L12-L14 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-L16 HydrophobicContact CD1-CD1 4.25Å; L12-L16 HydrophobicContact CD1-CG 4.2Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 HydrophobicContact CG-CG 4.4Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.22Å; L12-F449 HydrophobicContact CD2-CD1 4.37Å; L12-F449 HydrophobicContact CD2-CD2 4.14Å; L12-F449 HydrophobicContact CD2-CE1 4.24Å; L12-F449 HydrophobicContact CD2-CE2 4Å; L12-F449 HydrophobicContact CD2-CG 4.33Å; L12-F449 HydrophobicContact CD2-CZ 4.06Å; L12-F449 HydrophobicContact CG-CD2 4.49Å
13S92.1Very high85.6Confident12 Ų1271.7 Ų71.78%0.08439%0.388CS..Hα-helixtrans-57.9-49.7176.1176.60000111.6A9 G10 L15 L16 L17 G446 G450A9-S13 WeakPolarHBondContact O-CB 3.46Å; A9-S13 PolarHBondContact O-N 2.98Å; G10-S13 PolarHBondContact O-N 2.87Å; S13-L15 PolarHBondContact O-N 3.11Å; S13-L16 PolarHBondContact O-N 2.91Å; S13-L17 VanDerWaalsContact O-CG 3.32Å; S13-L17 WeakPolarHBondContact O-CG 3.46Å; S13-L17 PolarHBondContact O-N 3.41Å; S13-G446 WeakPolarHBondContact CB-O 3.42Å; S13-G446 PolarHBondContact OG-O 2.91Å; S13-G450 VanDerWaalsContact OG-CA 3.26Å; S13-G450 WeakPolarHBondContact OG-CA 3.5Å; S13-G450 PolarHBondContact OG-N 3.38Å
14L92.1Very high86.9Confident116 Ų11664 Ų6461%0.60736%0.362SS*.Hα-helixtrans-60.5-44.9178.7-17664.5000111.9G10 T11 L12 L17 V18G10-L14 PolarHBondContact O-N 3.48Å; G10-L14 VanDerWaalsContact O-N 3.1Å; T11-L14 PolarHBondContact O-N 3.2Å; L12-L14 PolarHBondContact O-N 2.9Å; L14-L17 PolarHBondContact O-N 3.42Å; L14-V18 HydrophobicContact CD1-CG2 4.25Å; L14-V18 HydrophobicContact CG-CG2 4.44Å; L14-V18 WeakPolarHBondContact O-CB 3.49Å; L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 2.86Å
15L94.1Very high88.1Confident108 Ų10865.3 Ų65.357%0.56537%0.367SS*.Hα-helixtrans-63.1-46179.8-169.5141.1000111.3T11 L12 S13 L17 V18 T19T11-L15 WeakPolarHBondContact O-CB 3.24Å; T11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 2.89Å; S13-L15 PolarHBondContact O-N 3.11Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 2.86Å; L15-V18 PolarHBondContact O-N 3.08Å; L15-T19 VanDerWaalsContact O-CB 3.31Å; L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-OG1 3.01Å
16L94.3Very high89.3Confident36 Ų3664 Ų6419%0.18836%0.362CS..Hα-helixtrans-61.8-41.2177.6-68.6175.2000112.2L12 S13 S20 I442 L445 F449L12-L16 HydrophobicContact CD1-CD1 4.25Å; L12-L16 HydrophobicContact CD1-CG 4.2Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 HydrophobicContact CG-CG 4.4Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.22Å; S13-L16 PolarHBondContact O-N 2.91Å; L16-S20 VanDerWaalsContact O-CB 3.27Å; L16-S20 WeakPolarHBondContact O-CB 3.28Å; L16-S20 PolarHBondContact O-N 2.85Å; L16-I442 HydrophobicContact CB-CG2 4.25Å; L16-I442 HydrophobicContact CD2-CG2 4.05Å; L16-L445 HydrophobicContact CD1-CB 4.31Å; L16-F449 HydrophobicContact CD1-CD2 3.8Å; L16-F449 HydrophobicContact CD1-CE2 4.18Å
17L93.8Very high90Very high55 Ų5568.9 Ų68.929%0.28838%0.379SS..Hα-helixtrans-66.1-47.1178-70.7174.3000111.7S13 L14 L15 T19 S20 V21 M443 V447S13-L17 VanDerWaalsContact O-CG 3.32Å; S13-L17 WeakPolarHBondContact O-CG 3.46Å; S13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 3.42Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 2.86Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-T19 PolarHBondContact O-N 3.05Å; L17-S20 PolarHBondContact O-N 3.34Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 2.99Å; L17-M443 HydrophobicContact CD2-CG 4.16Å; L17-V447 HydrophobicContact CD2-CG2 4.03Å
18V94.1Very high90.6Very high82 Ų8265 Ų6550%0.49737%0.371SS..Hα-helixtrans-62-44.1177.2172.60000110.7L14 L15 T22L14-V18 HydrophobicContact CD1-CG2 4.25Å; L14-V18 HydrophobicContact CG-CG2 4.44Å; L14-V18 WeakPolarHBondContact O-CB 3.49Å; L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 2.86Å; L15-V18 PolarHBondContact O-N 3.08Å; V18-T22 WeakPolarHBondContact O-CB 3.04Å; V18-T22 PolarHBondContact O-N 2.99Å; V18-T22 PolarHBondContact O-OG1 3.09Å
19T92.9Very high90.9Very high58 Ų5864 Ų6436%0.35636%0.36SS..Hα-helixtrans-63-45.5177.2-610000111.4L15 L17 T22 L23L15-T19 VanDerWaalsContact O-CB 3.31Å; L15-T19 WeakPolarHBondContact O-CB 3.4Å; L15-T19 PolarHBondContact O-N 3.3Å; L15-T19 PolarHBondContact O-OG1 3.01Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-T19 PolarHBondContact O-N 3.05Å; T19-T22 PolarHBondContact O-N 3.17Å; T19-L23 HydrophobicContact CG2-CD1 3.7Å; T19-L23 HydrophobicContact CG2-CG 4.28Å; T19-L23 WeakPolarHBondContact O-CB 3.33Å; T19-L23 WeakPolarHBondContact O-CD1 3.15Å; T19-L23 WeakPolarHBondContact O-CG 3.48Å; T19-L23 PolarHBondContact O-N 3.05Å
20S92.5Very high91Very high0 Ų067.7 Ų67.70%038%0.376CS..Hα-helixtrans-60-49.6177.8173.50000112.4L16 L17 T22 L23 L24 P439 M443L16-S20 VanDerWaalsContact O-CB 3.27Å; L16-S20 WeakPolarHBondContact O-CB 3.28Å; L16-S20 PolarHBondContact O-N 2.85Å; L17-S20 PolarHBondContact O-N 3.34Å; S20-T22 VanDerWaalsContact C-N 3.3Å; S20-T22 PolarHBondContact O-N 3.03Å; S20-L23 PolarHBondContact O-N 3.45Å; S20-L24 WeakPolarHBondContact O-CB 3.41Å; S20-L24 WeakPolarHBondContact O-CG 3.18Å; S20-L24 PolarHBondContact O-N 3.22Å; S20-P439 PolarHBondContact OG-O 3.06Å; S20-M443 WeakPolarHBondContact OG-CB 3.47Å; S20-M443 WeakPolarHBondContact OG-CE 3.5Å
21V92.4Very high91.2Very high77 Ų7772.7 Ų72.747%0.46739%0.392SS..Hα-helixtrans-60.6-42.8178.3172.60000110.5L17 L23 L24 V25L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 2.99Å; V21-L23 PolarHBondContact O-N 2.9Å; V21-L24 PolarHBondContact O-N 2.75Å; V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 WeakPolarHBondContact O-CB 3.26Å; V21-V25 VanDerWaalsContact O-CG2 3.28Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 2.93Å
22T92.3Very high91.3Very high84 Ų8470.6 Ų70.652%0.51538%0.384SS..Hα-helixtrans-61.5-45.8177.5-54.50000111.4V18 T19 S20 L24 A26V18-T22 WeakPolarHBondContact O-CB 3.04Å; V18-T22 PolarHBondContact O-N 2.99Å; V18-T22 PolarHBondContact O-OG1 3.09Å; T19-T22 PolarHBondContact O-N 3.17Å; S20-T22 VanDerWaalsContact C-N 3.3Å; S20-T22 PolarHBondContact O-N 3.03Å; T22-L24 PolarHBondContact O-N 2.97Å; T22-A26 VanDerWaalsContact O-CB 3.23Å; T22-A26 WeakPolarHBondContact O-CB 3.26Å; T22-A26 PolarHBondContact O-N 2.75Å
23L91.9Very high91.2Very high34 Ų3467.5 Ų67.518%0.17837%0.368CS..Hα-helixtrans-64-38.3178.3-71.7166.1000112.6T19 S20 V21 R27 V28 F29 P439 I442T19-L23 HydrophobicContact CG2-CD1 3.7Å; T19-L23 HydrophobicContact CG2-CG 4.28Å; T19-L23 WeakPolarHBondContact O-CB 3.33Å; T19-L23 WeakPolarHBondContact O-CD1 3.15Å; T19-L23 WeakPolarHBondContact O-CG 3.48Å; T19-L23 PolarHBondContact O-N 3.05Å; S20-L23 PolarHBondContact O-N 3.45Å; V21-L23 PolarHBondContact O-N 2.9Å; L23-R27 PolarHBondContact O-N 2.92Å; L23-R27 VanDerWaalsContact O-N 3.11Å; L23-V28 HydrophobicContact CD2-CB 4.08Å; L23-V28 HydrophobicContact CD2-CG1 4.45Å; L23-V28 HydrophobicContact CD2-CG2 4Å; L23-V28 PolarHBondContact O-N 3.14Å; L23-F29 HydrophobicContact CD1-CE2 4.1Å; L23-F29 HydrophobicContact CD2-CE2 4.13Å; L23-P439 HydrophobicContact CB-CB 4.26Å; L23-P439 HydrophobicContact CB-CG 4.13Å; L23-I442 HydrophobicContact CD1-CD1 4.02Å
24L89.7Confident91.1Very high46 Ų4668.8 Ų68.824%0.24137%0.374CS..Hα-helixtrans-67.7-50.6176.2-77.3171.1000111.8S20 V21 T22 A26 R27 P439 Y440 M443S20-L24 WeakPolarHBondContact O-CB 3.41Å; S20-L24 WeakPolarHBondContact O-CG 3.18Å; S20-L24 PolarHBondContact O-N 3.22Å; V21-L24 PolarHBondContact O-N 2.75Å; T22-L24 PolarHBondContact O-N 2.97Å; L24-A26 VanDerWaalsContact C-N 3.32Å; L24-A26 PolarHBondContact O-N 2.84Å; L24-R27 WeakPolarHBondContact O-CG 3.45Å; L24-R27 PolarHBondContact O-N 2.97Å; L24-P439 HydrophobicContact CD1-CB 4.45Å; L24-P439 HydrophobicContact CD2-CB 3.68Å; L24-P439 HydrophobicContact CD2-CG 4.29Å; L24-P439 HydrophobicContact CG-CB 3.64Å; L24-Y440 HydrophobicContact CD1-CD1 4.35Å; L24-Y440 HydrophobicContact CD1-CE1 4.07Å; L24-Y440 HydrophobicContact CD2-CD1 4.42Å; L24-Y440 HydrophobicContact CD2-CD2 4.45Å; L24-Y440 HydrophobicContact CD2-CE1 3.9Å; L24-Y440 HydrophobicContact CD2-CE2 3.93Å; L24-M443 HydrophobicContact CD1-CE 3.3Å
25V88.8Confident91Very high119 Ų11968.4 Ų68.472%0.72137%0.369SS*.Hα-helixtrans-62.4-41.5-179.8172.30000110.7V21 R27V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 WeakPolarHBondContact O-CB 3.26Å; V21-V25 VanDerWaalsContact O-CG2 3.28Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 2.93Å; V25-R27 PolarHBondContact O-N 3.48Å
26A89.6Confident90.8Very high47 Ų4765.5 Ų65.539%0.38836%0.358SS..THydrogen-bonded Turntrans-75.8-9.6177.200000113.9T22 L24 V28T22-A26 VanDerWaalsContact O-CB 3.23Å; T22-A26 WeakPolarHBondContact O-CB 3.26Å; T22-A26 PolarHBondContact O-N 2.75Å; L24-A26 VanDerWaalsContact C-N 3.32Å; L24-A26 PolarHBondContact O-N 2.84Å; A26-V28 HydrophobicContact CB-CG2 3.73Å; A26-V28 PolarHBondContact O-N 2.94Å
27R90.3Very high90.6Very high153 Ų15364.1 Ų64.158%0.57735%0.351SS*.THydrogen-bonded Turntrans50.638.3-176.3-61.5-172.2-179.7-175.80.1113.5L23 L24 V25 F29 Q30 K31L23-R27 PolarHBondContact O-N 2.92Å; L23-R27 VanDerWaalsContact O-N 3.11Å; L24-R27 WeakPolarHBondContact O-CG 3.45Å; L24-R27 PolarHBondContact O-N 2.97Å; V25-R27 PolarHBondContact O-N 3.48Å; R27-F29 PolarHBondContact O-N 2.84Å; R27-Q30 HydrophobicContact CB-CB 4.33Å; R27-Q30 PolarHBondContact O-N 3.03Å; R27-K31 WeakPolarHBondContact O-CG 3.46Å; R27-K31 PolarHBondContact O-N 3.45Å
28V89.8Confident90.4Very high69 Ų6964.4 Ų64.442%0.41835%0.35SS..Hα-helixtrans-58.8-51.9-170178.30000112.1L23 A26 K31 A32L23-V28 HydrophobicContact CD2-CB 4.08Å; L23-V28 HydrophobicContact CD2-CG1 4.45Å; L23-V28 HydrophobicContact CD2-CG2 4Å; L23-V28 PolarHBondContact O-N 3.14Å; A26-V28 HydrophobicContact CB-CG2 3.73Å; A26-V28 PolarHBondContact O-N 2.94Å; V28-K31 PolarHBondContact O-N 3.25Å; V28-A32 WeakPolarHBondContact O-CB 3.17Å; V28-A32 PolarHBondContact O-N 3.41Å
29F88.7Confident90.1Very high51 Ų5167.8 Ų67.822%0.22436%0.358CS..Hα-helixtrans-70.4-34.6-178.1-70.7-79.1000113L23 R27 A32 V33 I435 I438 P439L23-F29 HydrophobicContact CD1-CE2 4.1Å; L23-F29 HydrophobicContact CD2-CE2 4.13Å; R27-F29 PolarHBondContact O-N 2.84Å; F29-A32 PolarHBondContact O-N 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.29Å; F29-V33 PolarHBondContact O-N 2.64Å; F29-I435 HydrophobicContact CB-CG2 4.35Å; F29-I435 WeakPolarHBondContact CB-O 3.36Å; F29-I435 HydrophobicContact CD1-CG2 3.8Å; F29-I438 HydrophobicContact CD1-CD1 4.19Å; F29-I438 HydrophobicContact CD2-CB 4.46Å; F29-I438 HydrophobicContact CE1-CB 4.34Å; F29-I438 HydrophobicContact CE1-CD1 3.77Å; F29-I438 HydrophobicContact CE1-CG2 4.27Å; F29-I438 HydrophobicContact CE2-CB 4.18Å; F29-I438 HydrophobicContact CE2-CG2 3.85Å; F29-I438 HydrophobicContact CZ-CB 4.11Å; F29-I438 HydrophobicContact CZ-CD1 4.23Å; F29-I438 HydrophobicContact CZ-CG2 3.66Å; F29-P439 HydrophobicContact CD2-CG 3.51Å; F29-P439 HydrophobicContact CE2-CG 3.97Å
30Q86.8Confident90Very high90 Ų9071 Ų7142%0.42137%0.367SS..Hα-helixtrans-63.1-51.1175.1-173.7175.30.800110.3R27 A32 V33 D34R27-Q30 HydrophobicContact CB-CB 4.33Å; R27-Q30 PolarHBondContact O-N 3.03Å; Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 2.79Å; Q30-V33 WeakPolarHBondContact O-CB 3.33Å; Q30-V33 PolarHBondContact O-N 3.45Å; Q30-V33 VanDerWaalsContact O-N 3.12Å; Q30-D34 PolarHBondContact O-N 2.96Å
31K89.7Confident90Very high124 Ų12471.9 Ų71.954%0.53937%0.372SS..Hα-helixtrans-58.5-38.2175.7-72.4-179.4176.7-179.70113R27 V28 D34 Q35R27-K31 WeakPolarHBondContact O-CG 3.46Å; R27-K31 PolarHBondContact O-N 3.45Å; V28-K31 PolarHBondContact O-N 3.25Å; K31-D34 PolarHBondContact O-N 3.14Å; K31-Q35 WeakPolarHBondContact O-CB 3.46Å; K31-Q35 WeakPolarHBondContact O-CG 3.43Å; K31-Q35 PolarHBondContact O-N 3.4Å
32A89.8Confident90.1Very high49 Ų4968.5 Ų68.541%0.40535%0.351SS..Hα-helixtrans-66.2-39.2177.900000112.4V28 F29 Q30 S36V28-A32 WeakPolarHBondContact O-CB 3.17Å; V28-A32 PolarHBondContact O-N 3.41Å; F29-A32 PolarHBondContact O-N 3.29Å; Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 2.79Å; A32-S36 WeakPolarHBondContact O-CB 3.38Å; A32-S36 PolarHBondContact O-N 2.94Å
33V89.6Confident90.3Very high8 Ų864.5 Ų64.55%0.04833%0.327CS..Hα-helixtrans-65.2-51.2173.2159.80000110.4F29 Q30 Q35 S36 I37 T432 I435 T436F29-V33 WeakPolarHBondContact O-CG2 3.29Å; F29-V33 PolarHBondContact O-N 2.64Å; Q30-V33 WeakPolarHBondContact O-CB 3.33Å; Q30-V33 PolarHBondContact O-N 3.45Å; Q30-V33 VanDerWaalsContact O-N 3.12Å; V33-Q35 VanDerWaalsContact C-N 3.32Å; V33-Q35 PolarHBondContact O-N 2.87Å; V33-S36 CarbonylContact O-C 3.58Å; V33-S36 WeakPolarHBondContact O-CA 3.31Å; V33-S36 WeakPolarHBondContact O-CB 3.34Å; V33-S36 PolarHBondContact O-N 2.8Å; V33-I37 HydrophobicContact CG1-CG1 4.34Å; V33-I37 WeakPolarHBondContact O-CG1 3.45Å; V33-I37 PolarHBondContact O-N 2.8Å; V33-T432 HydrophobicContact CB-CG2 4.26Å; V33-T432 HydrophobicContact CG1-CG2 3.24Å; V33-T432 HydrophobicContact CG2-CG2 4.01Å; V33-I435 HydrophobicContact CG2-CB 4.28Å; V33-I435 HydrophobicContact CG2-CG2 3.87Å; V33-T436 HydrophobicContact CB-CG2 4.17Å; V33-T436 HydrophobicContact CG1-CG2 4.4Å; V33-T436 HydrophobicContact CG2-CG2 3.81Å
34D89.8Confident90.4Very high38 Ų3868.6 Ų68.620%0.20334%0.34CS..Hα-helixtrans-55.7-49.8-178.3-62.4-15.8000109.6Q30 K31 S36 I37 E38 L259Q30-D34 PolarHBondContact O-N 2.96Å; K31-D34 PolarHBondContact O-N 3.14Å; D34-S36 VanDerWaalsContact C-N 3.28Å; D34-S36 PolarHBondContact O-N 2.75Å; D34-I37 PolarHBondContact O-N 3.05Å; D34-E38 WeakPolarHBondContact O-CB 3.17Å; D34-E38 VanDerWaalsContact O-CG 3.23Å; D34-E38 WeakPolarHBondContact O-CG 3.29Å; D34-E38 PolarHBondContact O-N 2.75Å; D34-L259 HydrophobicContact CB-CD1 3.85Å
35Q89.7Confident90.5Very high108 Ų10871.7 Ų71.751%0.50536%0.357SS..Hα-helixtrans-59.9-33.4174.3-73.7177.8-7.900114K31 V33 K39K31-Q35 WeakPolarHBondContact O-CB 3.46Å; K31-Q35 WeakPolarHBondContact O-CG 3.43Å; K31-Q35 PolarHBondContact O-N 3.4Å; V33-Q35 VanDerWaalsContact C-N 3.32Å; V33-Q35 PolarHBondContact O-N 2.87Å; Q35-K39 WeakPolarHBondContact O-CB 3.41Å; Q35-K39 VanDerWaalsContact O-CG 3.27Å; Q35-K39 WeakPolarHBondContact O-CG 3.35Å; Q35-K39 PolarHBondContact O-N 2.72Å
36S89.6Confident90.6Very high48 Ų4869.6 Ų69.634%0.33636%0.359SS..Hα-helixtrans-72.3-34.4175.4-179.50000111.9A32 V33 D34 K40A32-S36 WeakPolarHBondContact O-CB 3.38Å; A32-S36 PolarHBondContact O-N 2.94Å; V33-S36 CarbonylContact O-C 3.58Å; V33-S36 WeakPolarHBondContact O-CA 3.31Å; V33-S36 WeakPolarHBondContact O-CB 3.34Å; V33-S36 PolarHBondContact O-N 2.8Å; D34-S36 VanDerWaalsContact C-N 3.28Å; D34-S36 PolarHBondContact O-N 2.75Å; S36-K40 WeakPolarHBondContact O-CB 3.49Å; S36-K40 WeakPolarHBondContact O-CD 3.39Å; S36-K40 WeakPolarHBondContact O-CG 3.46Å; S36-K40 PolarHBondContact O-N 3.04Å
37I89.9Confident90.7Very high7 Ų768 Ų684%0.03635%0.345CS..Hα-helixtrans-71.7-49.2177.1-66.5-62.9000109.3V33 D34 K39 K40 I41 P258 L259 L372V33-I37 HydrophobicContact CG1-CG1 4.34Å; V33-I37 WeakPolarHBondContact O-CG1 3.45Å; V33-I37 PolarHBondContact O-N 2.8Å; D34-I37 PolarHBondContact O-N 3.05Å; I37-K39 PolarHBondContact O-N 3.25Å; I37-K40 PolarHBondContact O-N 3.02Å; I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.31Å; I37-I41 PolarHBondContact O-N 3.11Å; I37-P258 HydrophobicContact CG2-CB 3.72Å; I37-P258 HydrophobicContact CG2-CG 4.36Å; I37-L259 HydrophobicContact CG2-CD2 4.37Å; I37-L372 HydrophobicContact CD1-CD2 4.24Å; I37-L372 HydrophobicContact CD1-CG 4.29Å; I37-L372 HydrophobicContact CG1-CD1 4.21Å; I37-L372 HydrophobicContact CG1-CG 4.25Å
38E90.4Very high90.6Very high61 Ų6166.6 Ų66.629%0.28535%0.345SS..Hα-helixtrans-51.4-40.9175.5-70.1171.2-168.300111.9D34 V42 Y222 L259D34-E38 WeakPolarHBondContact O-CB 3.17Å; D34-E38 VanDerWaalsContact O-CG 3.23Å; D34-E38 WeakPolarHBondContact O-CG 3.29Å; D34-E38 PolarHBondContact O-N 2.75Å; E38-V42 WeakPolarHBondContact O-CG2 3.47Å; E38-Y222 HydrophobicContact CG-CD1 3.56Å; E38-Y222 HydrophobicContact CG-CE1 4.12Å; E38-Y222 HydrophobicContact CG-CG 3.82Å; E38-Y222 WeakPolarHBondContact OE1-CE1 3.11Å; E38-L259 HydrophobicContact CG-CD1 4.12Å
39K88.2Confident90.8Very high152 Ų15264.4 Ų64.466%0.66133%0.334SS*.Hα-helixtrans-78.8-21.6178.8-72.9176.1-178.8178.80115.1Q35 I37Q35-K39 WeakPolarHBondContact O-CB 3.41Å; Q35-K39 VanDerWaalsContact O-CG 3.27Å; Q35-K39 WeakPolarHBondContact O-CG 3.35Å; Q35-K39 PolarHBondContact O-N 2.72Å; I37-K39 PolarHBondContact O-N 3.25Å
40K89.9Confident91.1Very high126 Ų12662.4 Ų62.455%0.54833%0.325SS..Hα-helixtrans-90.5-30.2-178.7-78.3177.4179.1179.30112S36 I37 V42S36-K40 WeakPolarHBondContact O-CB 3.49Å; S36-K40 WeakPolarHBondContact O-CD 3.39Å; S36-K40 WeakPolarHBondContact O-CG 3.46Å; S36-K40 PolarHBondContact O-N 3.04Å; I37-K40 PolarHBondContact O-N 3.02Å; K40-V42 PolarHBondContact O-N 2.9Å
41I93Very high91.5Very high18 Ų1862.2 Ų62.29%0.09233%0.327CS..SBendtrans-100.872.2-177.9-54.8-175.2000108.3I37 F225 P258 T373I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.31Å; I37-I41 PolarHBondContact O-N 3.11Å; I41-F225 HydrophobicContact CG2-CD1 4.31Å; I41-F225 HydrophobicContact CG2-CD2 4.11Å; I41-F225 HydrophobicContact CG2-CE1 4.09Å; I41-F225 HydrophobicContact CG2-CE2 3.88Å; I41-F225 HydrophobicContact CG2-CG 4.33Å; I41-F225 HydrophobicContact CG2-CZ 3.87Å; I41-F225 WeakPolarHBondContact O-CD2 3.18Å; I41-P258 HydrophobicContact CB-CG 4.19Å; I41-P258 HydrophobicContact CD1-CB 3.93Å; I41-P258 HydrophobicContact CG2-CB 4.47Å; I41-P258 HydrophobicContact CG2-CG 4.16Å; I41-T373 HydrophobicContact CD1-CG2 4.09Å; I41-T373 WeakPolarHBondContact CD1-O 3.25Å
42V95.6Very high91.6Very high6 Ų658.4 Ų58.44%0.03632%0.316CS..SBendtrans-139.9141175168.50000108E38 K40 R44 T47 E219E38-V42 WeakPolarHBondContact O-CG2 3.47Å; K40-V42 PolarHBondContact O-N 2.9Å; V42-R44 HydrophobicContact CG1-CB 4.26Å; V42-R44 PolarHBondContact O-N 2.85Å; V42-T47 PolarHBondContact O-OG1 2.97Å; V42-E219 HydrophobicContact CG1-CB 4.05Å; V42-E219 WeakPolarHBondContact CG1-OE2 3.31Å
43L96.1Very high91.9Very high1 Ų156.9 Ų56.91%0.00530%0.3CS..  trans-76.292.1174.3-57.2-177.6000109.5F50 W53 F102 I109 T217 F225L43-F50 HydrophobicContact CB-CD2 4.47Å; L43-W53 HydrophobicContact CD1-CD2 4.08Å; L43-W53 HydrophobicContact CD1-CG 4.27Å; L43-W53 HydrophobicContact CD1-CZ2 4.35Å; L43-W53 HydrophobicContact CD2-CB 3.64Å; L43-W53 HydrophobicContact CD2-CD2 3.99Å; L43-W53 HydrophobicContact CD2-CE3 4.47Å; L43-W53 HydrophobicContact CD2-CG 3.61Å; L43-F102 WeakPolarHBondContact O-CE1 3.49Å; L43-I109 HydrophobicContact CD1-CG2 3.82Å; L43-T217 HydrophobicContact CB-CG2 4.05Å; L43-T217 PolarHBondContact N-O 2.93Å; L43-F225 HydrophobicContact CD2-CE2 3.76Å; L43-F225 HydrophobicContact CD2-CZ 3.84Å; L43-F225 HydrophobicContact CG-CD2 4.47Å; L43-F225 HydrophobicContact CG-CE2 3.76Å; L43-F225 HydrophobicContact CG-CZ 4.25Å
44R94Very high92.2Very high120 Ų12059 Ų5945%0.45331%0.309SS..  trans-146140176.8-174.8174.870.8-157.41.2109.9V42 G46 T47 F50 E219V42-R44 HydrophobicContact CG1-CB 4.26Å; V42-R44 PolarHBondContact O-N 2.85Å; R44-G46 PolarHBondContact O-N 3.36Å; R44-T47 HydrophobicContact CB-CG2 4.21Å; R44-T47 PolarHBondContact O-N 2.86Å; R44-T47 PolarHBondContact O-OG1 3.35Å; R44-F50 VanDerWaalsContact O-CB 3.31Å; R44-F50 WeakPolarHBondContact O-CB 3.46Å; R44-E219 IonicContact NH1-OE1 2.74Å; R44-E219 PolarHBondContact NH1-OE1 3.44Å; R44-E219 IonicContact NH1-OE2 2.69Å; R44-E219 PolarHBondContact NH1-OE2 3.5Å
45N92.3Very high92.5Very high110 Ų11063.7 Ų63.759%0.58833%0.328SS*.THydrogen-bonded Turntrans-49.4126.1176-80.8-25.9000111.7F50N45-F50 WeakPolarHBondContact OD1-CE1 3.29Å; N45-F50 WeakPolarHBondContact OD1-CZ 3.46Å
46G89.5Confident92.6Very high75 Ų7560.7 Ų60.777%0.77332%0.318SS*.THydrogen-bonded Turntrans93.2-2.7-178.900000115.6R44R44-G46 PolarHBondContact O-N 3.36Å
47T92.1Very high92.6Very high15 Ų1562.1 Ų62.19%0.09233%0.326CS..  trans-87.7142.2168.568.70000110.8V42 R44 A49 F50 D51V42-T47 PolarHBondContact O-OG1 2.97Å; R44-T47 HydrophobicContact CB-CG2 4.21Å; R44-T47 PolarHBondContact O-N 2.86Å; R44-T47 PolarHBondContact O-OG1 3.35Å; T47-A49 PolarHBondContact O-N 3.19Å; T47-F50 PolarHBondContact O-N 2.85Å; T47-F50 VanDerWaalsContact O-N 3.12Å; T47-F50 WeakPolarHBondContact OG1-CB 3.49Å; T47-F50 PolarHBondContact OG1-N 2.79Å; T47-F50 VanDerWaalsContact OG1-N 3.16Å; T47-D51 PolarHBondContact O-N 3.18Å
48E89.3Confident92.7Very high123 Ų12363.1 Ų63.158%0.57533%0.331SS*.Hα-helixtrans-60.9-28.2173.7-68.7-175.5-155.400112.3S52 R424E48-S52 WeakPolarHBondContact O-CB 3.12Å; E48-S52 PolarHBondContact O-N 3.36Å; E48-S52 PolarHBondContact O-OG 2.83Å; E48-R424 IonicContact OE2-CZ 2.8Å; E48-R424 IonicContact OE2-NE 3.33Å; E48-R424 IonicContact OE2-NH2 3.15Å; E48-R424 PolarHBondContact OE2-NH2 3.42Å
49A92.1Very high92.9Very high23 Ų2362.6 Ų62.619%0.1933%0.333CS..Hα-helixtrans-64.7-42.4175.800000111.5T47 W53T47-A49 PolarHBondContact O-N 3.19Å; A49-W53 VanDerWaalsContact O-CB 3.25Å; A49-W53 WeakPolarHBondContact O-CB 3.47Å; A49-W53 PolarHBondContact O-N 2.88Å
50F95.9Very high93.3Very high8 Ų856.1 Ų56.14%0.03531%0.306CS..Hα-helixtrans-64.9-47.2175.1176.1-98.6000111.7L43 R44 N45 T47 S52 W53 E54 V100 F102 I109L43-F50 HydrophobicContact CB-CD2 4.47Å; R44-F50 VanDerWaalsContact O-CB 3.31Å; R44-F50 WeakPolarHBondContact O-CB 3.46Å; N45-F50 WeakPolarHBondContact OD1-CE1 3.29Å; N45-F50 WeakPolarHBondContact OD1-CZ 3.46Å; T47-F50 PolarHBondContact O-N 2.85Å; T47-F50 VanDerWaalsContact O-N 3.12Å; T47-F50 WeakPolarHBondContact OG1-CB 3.49Å; T47-F50 PolarHBondContact OG1-N 2.79Å; T47-F50 VanDerWaalsContact OG1-N 3.16Å; F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 2.97Å; F50-W53 HydrophobicContact CD2-CE3 4.15Å; F50-W53 HydrophobicContact CD2-CZ3 4.43Å; F50-W53 HydrophobicContact CE2-CE3 4.08Å; F50-W53 AromaticContact CE2-CZ3 3.95Å; F50-W53 HydrophobicContact CE2-CZ3 3.95Å; F50-W53 PolarHBondContact O-N 2.91Å; F50-W53 VanDerWaalsContact O-N 3.13Å; F50-E54 WeakPolarHBondContact O-CB 3.43Å; F50-E54 PolarHBondContact O-N 2.85Å; F50-V100 HydrophobicContact CE2-CG1 4.12Å; F50-V100 HydrophobicContact CZ-CG1 4.21Å; F50-F102 HydrophobicContact CD2-CZ 4.09Å; F50-F102 HydrophobicContact CE2-CE2 4.26Å; F50-F102 AromaticContact CE2-CZ 3.66Å; F50-F102 HydrophobicContact CE2-CZ 3.66Å; F50-F102 HydrophobicContact CZ-CE2 4.38Å; F50-F102 HydrophobicContact CZ-CZ 4.15Å; F50-I109 HydrophobicContact CD2-CD1 4.28Å; F50-I109 HydrophobicContact CE2-CD1 3.73Å
51D94.4Very high93.7Very high87 Ų8752.9 Ų52.947%0.46529%0.291SS..Hα-helixtrans-59.9-41.1179.6-62.8-23.6000111.5T47 K55T47-D51 PolarHBondContact O-N 3.18Å; D51-K55 PolarHBondContact O-N 2.92Å
52S92.9Very high93.9Very high44 Ų4452.1 Ų52.131%0.30829%0.287SS..Hα-helixtrans-72-32.2177.7-54.10000112.7E48 F50 K55 P56E48-S52 WeakPolarHBondContact O-CB 3.12Å; E48-S52 PolarHBondContact O-N 3.36Å; E48-S52 PolarHBondContact O-OG 2.83Å; F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 2.97Å; S52-K55 CarbonylContact O-C 3.55Å; S52-P56 WeakPolarHBondContact O-CA 3.4Å
53W95.4Very high94.1Very high16 Ų1653.7 Ų53.76%0.06129%0.294CS..Hα-helixtrans-72.6-41.9175.3171.589.5000111.6L43 A49 F50 K97 V100 I109 A111 F215L43-W53 HydrophobicContact CD1-CD2 4.08Å; L43-W53 HydrophobicContact CD1-CG 4.27Å; L43-W53 HydrophobicContact CD1-CZ2 4.35Å; L43-W53 HydrophobicContact CD2-CB 3.64Å; L43-W53 HydrophobicContact CD2-CD2 3.99Å; L43-W53 HydrophobicContact CD2-CE3 4.47Å; L43-W53 HydrophobicContact CD2-CG 3.61Å; A49-W53 VanDerWaalsContact O-CB 3.25Å; A49-W53 WeakPolarHBondContact O-CB 3.47Å; A49-W53 PolarHBondContact O-N 2.88Å; F50-W53 HydrophobicContact CD2-CE3 4.15Å; F50-W53 HydrophobicContact CD2-CZ3 4.43Å; F50-W53 HydrophobicContact CE2-CE3 4.08Å; F50-W53 AromaticContact CE2-CZ3 3.95Å; F50-W53 HydrophobicContact CE2-CZ3 3.95Å; F50-W53 PolarHBondContact O-N 2.91Å; F50-W53 VanDerWaalsContact O-N 3.13Å; W53-K97 HydrophobicContact CD2-CG 4.06Å; W53-K97 HydrophobicContact CE3-CB 4.48Å; W53-K97 HydrophobicContact CE3-CG 4.07Å; W53-K97 HydrophobicContact CH2-CB 4.15Å; W53-K97 HydrophobicContact CH2-CD 4.49Å; W53-K97 HydrophobicContact CH2-CG 3.98Å; W53-K97 HydrophobicContact CZ2-CD 4.11Å; W53-K97 HydrophobicContact CZ2-CG 3.95Å; W53-K97 HydrophobicContact CZ3-CB 4.08Å; W53-K97 HydrophobicContact CZ3-CG 4.03Å; W53-K97 VanDerWaalsContact O-CG 3.3Å; W53-K97 WeakPolarHBondContact O-CG 3.26Å; W53-V100 HydrophobicContact CH2-CG1 4.47Å; W53-V100 HydrophobicContact CZ3-CG1 4.14Å; W53-V100 HydrophobicContact CZ3-CG2 4.2Å; W53-I109 HydrophobicContact CH2-CD1 3.83Å; W53-I109 HydrophobicContact CH2-CG1 4.24Å; W53-I109 HydrophobicContact CH2-CG2 4.4Å; W53-I109 HydrophobicContact CZ2-CG2 4.48Å; W53-I109 HydrophobicContact CZ3-CD1 3.76Å; W53-A111 HydrophobicContact CH2-CB 3.64Å; W53-A111 HydrophobicContact CZ2-CB 4.19Å; W53-F215 AromaticContact CZ2-CD2 3.82Å; W53-F215 HydrophobicContact CZ2-CD2 3.82Å; W53-F215 AromaticContact CZ2-CE2 3.95Å; W53-F215 HydrophobicContact CZ2-CE2 3.95Å
54E96.3Very high94.2Very high54 Ų5453.6 Ų53.625%0.25229%0.294SS..Hα-helixtrans-67.5-43.7178.8-170.6-169.6-159.600111F50 N96 K97F50-E54 WeakPolarHBondContact O-CB 3.43Å; F50-E54 PolarHBondContact O-N 2.85Å; E54-N96 CarbonylContact O-C 3.54Å; E54-N96 WeakPolarHBondContact O-CA 3.44Å; E54-K97 HydrophobicContact CG-CB 4.42Å; E54-K97 PolarHBondContact O-N 3.44Å
55K95.2Very high94.5Very high136 Ų13649.6 Ų49.659%0.59128%0.279SS*.SBendtrans-132.587.9179.3-67.4176.1-172.7164.60110D51 S52D51-K55 PolarHBondContact O-N 2.92Å; S52-K55 CarbonylContact O-C 3.55Å
56P93.4Very high94.8Very high45 Ų4544.3 Ų44.329%0.29225%0.251SS..  trans-52.4123.5179.2-29.537000112.2S52 L58 R95S52-P56 WeakPolarHBondContact O-CA 3.4Å; P56-L58 VanDerWaalsContact C-N 3.34Å; P56-R95 HydrophobicContact CG-CB 4.27Å
57P89.3Confident95.2Very high77 Ų7740.8 Ų40.850%0.521%0.214SC..  trans-78.4-21.7-176.829.9-34.7000112.7
58L91.7Very high95.6Very high28 Ų2842 Ų4215%0.14722%0.22CC..SBendtrans-84.7129.1-176-58.1-175000110.5P56 V60 V415 I417 T421P56-L58 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 3.25Å; L58-V415 HydrophobicContact CB-CG2 3.8Å; L58-V415 HydrophobicContact CD1-CG2 4.18Å; L58-I417 HydrophobicContact CD1-CB 4.21Å; L58-I417 HydrophobicContact CD1-CG1 4.3Å; L58-I417 HydrophobicContact CD2-CB 4.45Å; L58-I417 HydrophobicContact CD2-CG1 4.02Å; L58-T421 HydrophobicContact CD2-CG2 4.07Å
59P93.6Very high96Very high51 Ų5136.1 Ų36.133%0.33119%0.192SC..PPolyproline II helixtrans-69.5127.4174.329.5-33.3000109.7Y61P59-Y61 HydrophobicContact CB-CE2 3.89Å; P59-Y61 HydrophobicContact CG-CE2 4.22Å
60V97Very high96.3Very high15 Ų1537.7 Ų37.79%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-102142.1171.7-174.20000108.5L58 E93 E413 S414 V415L58-V60 PolarHBondContact O-N 3.25Å; V60-E93 HydrophobicContact CB-CB 4.24Å; V60-E93 PolarHBondContact O-N 2.93Å; V60-E413 HydrophobicContact CG1-CG 4.02Å; V60-S414 WeakPolarHBondContact CG1-O 3.14Å; V60-V415 HydrophobicContact CG2-CB 4.2Å; V60-V415 HydrophobicContact CG2-CG2 4.15Å
61Y98.4Very high96.5Very high58 Ų5837.9 Ų37.923%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-123.9132.4177-65.4-94.7000110P59 T90 Y91 R92 E120 E413 S414P59-Y61 HydrophobicContact CB-CE2 3.89Å; P59-Y61 HydrophobicContact CG-CE2 4.22Å; Y61-T90 HydrophobicContact CD1-CG2 3.91Å; Y61-Y91 CarbonylContact C-O 3.53Å; Y61-Y91 WeakPolarHBondContact CA-O 3.24Å; Y61-R92 HydrophobicContact CD1-CB 3.85Å; Y61-R92 HydrophobicContact CD1-CG 4.22Å; Y61-R92 HydrophobicContact CE1-CB 3.65Å; Y61-R92 HydrophobicContact CE1-CG 3.8Å; Y61-E120 HydrophobicContact CE1-CG 4.29Å; Y61-E413 CarbonylContact O-C 3.57Å; Y61-E413 WeakPolarHBondContact O-CA 3.45Å; Y61-S414 PolarHBondContact N-O 2.9Å; Y61-S414 PolarHBondContact O-N 3.3Å
62T98.6Very high96.7Very high2 Ų234.3 Ų34.31%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-104.7124.6166.6-76.70000109.2F64 Y91 E93 L411 N412T62-F64 HydrophobicContact CG2-CD1 4.18Å; T62-F64 HydrophobicContact CG2-CD2 4.23Å; T62-F64 HydrophobicContact CG2-CE1 3.63Å; T62-F64 HydrophobicContact CG2-CE2 3.69Å; T62-F64 HydrophobicContact CG2-CG 4.47Å; T62-F64 HydrophobicContact CG2-CZ 3.36Å; T62-Y91 PolarHBondContact N-O 2.81Å; T62-Y91 PolarHBondContact O-N 3.14Å; T62-E93 PolarHBondContact OG1-OE1 2.9Å; T62-L411 HydrophobicContact CG2-CB 4.28Å; T62-L411 HydrophobicContact CG2-CD1 4.48Å; T62-L411 HydrophobicContact CG2-CD2 4.42Å; T62-N412 WeakPolarHBondContact CA-O 3.27Å
63Q98.9Very high96.9Very high39 Ų3937.5 Ų37.518%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-110.3124.9176.4-60.2174.9-58.400109.1Y65 P88 Y89 T90 L411 N412Q63-Y65 HydrophobicContact CB-CE2 3.75Å; Q63-P88 HydrophobicContact CB-CB 3.9Å; Q63-P88 HydrophobicContact CG-CB 4.29Å; Q63-Y89 WeakPolarHBondContact CA-O 3.44Å; Q63-T90 HydrophobicContact CG-CG2 4.18Å; Q63-L411 CarbonylContact O-C 3.53Å; Q63-L411 WeakPolarHBondContact O-CA 3.34Å; Q63-L411 WeakPolarHBondContact O-CB 3.24Å; Q63-N412 HydrophobicContact CB-CB 4.4Å; Q63-N412 PolarHBondContact N-O 3.41Å; Q63-N412 PolarHBondContact O-N 3.11Å; Q63-N412 PolarHBondContact OE1-ND2 3.4Å
64F98.9Very high97.1Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-100.3138.7178.4-58-79.3000111.4T62 F66 P88 Y89 Y91 L177 F202 M409 L411T62-F64 HydrophobicContact CG2-CD1 4.18Å; T62-F64 HydrophobicContact CG2-CD2 4.23Å; T62-F64 HydrophobicContact CG2-CE1 3.63Å; T62-F64 HydrophobicContact CG2-CE2 3.69Å; T62-F64 HydrophobicContact CG2-CG 4.47Å; T62-F64 HydrophobicContact CG2-CZ 3.36Å; F64-F66 HydrophobicContact CB-CE2 4.02Å; F64-P88 WeakPolarHBondContact O-CA 3.45Å; F64-Y89 PolarHBondContact N-O 2.93Å; F64-Y89 PolarHBondContact O-N 2.96Å; F64-Y91 AromaticContact CD2-CD2 3.67Å; F64-Y91 HydrophobicContact CD2-CD2 3.67Å; F64-Y91 AromaticContact CD2-CE2 3.89Å; F64-Y91 HydrophobicContact CD2-CE2 3.89Å; F64-Y91 AromaticContact CE2-CD2 3.58Å; F64-Y91 HydrophobicContact CE2-CD2 3.58Å; F64-Y91 HydrophobicContact CE2-CE2 4.01Å; F64-Y91 HydrophobicContact CE2-CG 4.26Å; F64-L177 HydrophobicContact CB-CD1 4.47Å; F64-L177 HydrophobicContact CD1-CD2 3.74Å; F64-L177 HydrophobicContact CD2-CD1 3.68Å; F64-L177 HydrophobicContact CD2-CD2 4.22Å; F64-L177 HydrophobicContact CE1-CD2 3.85Å; F64-L177 HydrophobicContact CE2-CD1 3.99Å; F64-L177 HydrophobicContact CE2-CD2 4.32Å; F64-L177 HydrophobicContact CG-CD1 4.03Å; F64-L177 HydrophobicContact CG-CD2 3.93Å; F64-L177 HydrophobicContact CZ-CD2 4.13Å; F64-F202 HydrophobicContact CE1-CD2 4.22Å; F64-F202 HydrophobicContact CE1-CE1 4.42Å; F64-F202 AromaticContact CE1-CE2 3.85Å; F64-F202 HydrophobicContact CE1-CE2 3.85Å; F64-F202 AromaticContact CE1-CZ 3.95Å; F64-F202 HydrophobicContact CE1-CZ 3.95Å; F64-F202 HydrophobicContact CZ-CZ 4.48Å; F64-M409 HydrophobicContact CD1-CE 3.56Å; F64-M409 HydrophobicContact CD1-SD 4.04Å; F64-M409 HydrophobicContact CE1-CE 3.86Å; F64-L411 HydrophobicContact CD1-CB 3.85Å; F64-L411 HydrophobicContact CD1-CD2 4.2Å; F64-L411 HydrophobicContact CE1-CB 4.2Å; F64-L411 HydrophobicContact CE1-CD2 3.79Å
65Y98.9Very high97.2Very high35 Ų3537.1 Ų37.114%0.13719%0.191CC..EExtended strand (participates in β ladder)trans-130.3118.9178.3-59.7-98.6000108.6Q63 P88 M409 Y410 N412Q63-Y65 HydrophobicContact CB-CE2 3.75Å; Y65-P88 HydrophobicContact CD1-CB 4.48Å; Y65-P88 HydrophobicContact CE1-CB 3.78Å; Y65-P88 HydrophobicContact CE1-CG 4.32Å; Y65-P88 HydrophobicContact CE2-CB 4.25Å; Y65-M409 CarbonylContact O-C 3.58Å; Y65-M409 WeakPolarHBondContact O-CA 3.47Å; Y65-M409 VanDerWaalsContact O-CB 3.22Å; Y65-M409 WeakPolarHBondContact O-CB 3.4Å; Y65-Y410 HydrophobicContact CD1-CE1 4.48Å; Y65-Y410 HydrophobicContact CD1-CE2 4.45Å; Y65-Y410 AromaticContact CD1-CZ 3.88Å; Y65-Y410 WeakPolarHBondContact CD1-OH 3.47Å; Y65-Y410 AromaticContact CD2-CD2 3.91Å; Y65-Y410 HydrophobicContact CD2-CD2 3.91Å; Y65-Y410 HydrophobicContact CD2-CE1 4.31Å; Y65-Y410 AromaticContact CD2-CE2 3.3Å; Y65-Y410 HydrophobicContact CD2-CE2 3.3Å; Y65-Y410 AromaticContact CD2-CZ 3.55Å; Y65-Y410 AromaticContact CE2-CE2 3.85Å; Y65-Y410 HydrophobicContact CE2-CE2 3.85Å; Y65-Y410 HydrophobicContact CG-CD2 4.38Å; Y65-Y410 AromaticContact CG-CE1 3.83Å; Y65-Y410 HydrophobicContact CG-CE1 3.83Å; Y65-Y410 AromaticContact CG-CE2 3.66Å; Y65-Y410 HydrophobicContact CG-CE2 3.66Å; Y65-Y410 AromaticContact CG-CZ 3.34Å; Y65-Y410 PolarHBondContact N-O 3.15Å; Y65-Y410 PolarHBondContact O-N 2.82Å; Y65-N412 HydrophobicContact CE2-CB 4.2Å
66F98.9Very high97.3Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-100153.6-177.2-76.9-93.8000111.7F64 E85 V86 Y89 I133 V173 L176 L177 L201 M409F64-F66 HydrophobicContact CB-CE2 4.02Å; F66-E85 CarbonylContact O-C 3.56Å; F66-E85 WeakPolarHBondContact O-CA 3.3Å; F66-V86 PolarHBondContact N-O 2.79Å; F66-V86 PolarHBondContact O-N 2.98Å; F66-Y89 HydrophobicContact CD2-CD2 4.35Å; F66-Y89 HydrophobicContact CD2-CE2 4.45Å; F66-I133 HydrophobicContact CB-CD1 3.77Å; F66-I133 HydrophobicContact CB-CG1 3.89Å; F66-I133 HydrophobicContact CB-CG2 4.05Å; F66-I133 HydrophobicContact CD1-CG1 4.37Å; F66-I133 HydrophobicContact CD1-CG2 4.05Å; F66-I133 HydrophobicContact CG-CD1 4.43Å; F66-I133 HydrophobicContact CG-CG1 4.04Å; F66-I133 HydrophobicContact CG-CG2 4.34Å; F66-V173 HydrophobicContact CD2-CG1 4.25Å; F66-V173 HydrophobicContact CD2-CG2 4.34Å; F66-V173 HydrophobicContact CE2-CG1 3.63Å; F66-V173 HydrophobicContact CE2-CG2 4.43Å; F66-V173 HydrophobicContact CZ-CG1 4.23Å; F66-L176 HydrophobicContact CD1-CD1 4.17Å; F66-L176 HydrophobicContact CE1-CB 4.03Å; F66-L176 HydrophobicContact CE1-CD1 3.91Å; F66-L176 HydrophobicContact CZ-CB 4.33Å; F66-L177 HydrophobicContact CE2-CD1 4.39Å; F66-L177 HydrophobicContact CE2-CD2 4.25Å; F66-L177 HydrophobicContact CE2-CG 4.22Å; F66-L177 HydrophobicContact CZ-CD1 4.48Å; F66-L177 HydrophobicContact CZ-CD2 3.76Å; F66-L177 HydrophobicContact CZ-CG 3.83Å; F66-L201 HydrophobicContact CE1-CD1 4.05Å; F66-L201 HydrophobicContact CZ-CD1 4.46Å; F66-M409 HydrophobicContact CD1-CB 3.78Å; F66-M409 HydrophobicContact CE1-CB 3.92Å; F66-M409 HydrophobicContact CE1-CG 4.3Å; F66-M409 HydrophobicContact CE1-SD 3.93Å; F66-M409 HydrophobicContact CE2-SD 4.27Å; F66-M409 HydrophobicContact CG-CB 4.1Å; F66-M409 HydrophobicContact CZ-CB 4.34Å; F66-M409 HydrophobicContact CZ-SD 3.69Å
67F98.9Very high97.5Very high1 Ų137 Ų370%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-103.4102.1171-64.8-67.7000109.9V83 E85 H341 M356 Q384 P407 V408 Y410F67-V83 HydrophobicContact CB-CB 3.97Å; F67-V83 HydrophobicContact CB-CG1 4.24Å; F67-V83 HydrophobicContact CB-CG2 4.13Å; F67-V83 HydrophobicContact CD1-CG2 3.93Å; F67-V83 HydrophobicContact CG-CG2 4.31Å; F67-E85 HydrophobicContact CE1-CB 4.39Å; F67-H341 AromaticContact CE1-CE1 3.55Å; F67-H341 AromaticContact CE1-NE2 3.64Å; F67-H341 AromaticContact CZ-CD2 3.97Å; F67-H341 AromaticContact CZ-CE1 3.96Å; F67-H341 AromaticContact CZ-NE2 3.69Å; F67-M356 HydrophobicContact CD1-CE 3.58Å; F67-M356 HydrophobicContact CE1-CE 3.36Å; F67-M356 HydrophobicContact CE2-CE 4.4Å; F67-M356 HydrophobicContact CG-CE 4.2Å; F67-M356 HydrophobicContact CZ-CE 3.79Å; F67-M356 HydrophobicContact CZ-SD 4.45Å; F67-Q384 HydrophobicContact CE2-CG 4.35Å; F67-Q384 VanDerWaalsContact CE2-OE1 3.32Å; F67-P407 HydrophobicContact CB-CG 4.5Å; F67-P407 HydrophobicContact CD2-CB 3.55Å; F67-P407 HydrophobicContact CD2-CG 4.09Å; F67-P407 HydrophobicContact CE2-CB 3.82Å; F67-P407 HydrophobicContact CG-CB 4.22Å; F67-P407 HydrophobicContact CG-CG 4.26Å; F67-V408 PolarHBondContact N-O 3.37Å; F67-Y410 AromaticContact CE2-CD1 3.86Å; F67-Y410 HydrophobicContact CE2-CD1 3.86Å; F67-Y410 AromaticContact CZ-CD1 3.64Å; F67-Y410 HydrophobicContact CZ-CD1 3.64Å; F67-Y410 AromaticContact CZ-CE1 3.95Å; F67-Y410 HydrophobicContact CZ-CE1 3.95Å
68N98.8Very high97.9Very high40 Ų4034.2 Ų34.221%0.21417%0.169CC..EExtended strand (participates in β ladder)trans-80.5121.4179.8-166.920.9000110.5V83 E84 V86 I133 R134N68-V83 CarbonylContact O-C 3.52Å; N68-V83 VanDerWaalsContact O-CA 3.31Å; N68-V83 WeakPolarHBondContact O-CA 3.25Å; N68-E84 PolarHBondContact N-O 3.49Å; N68-E84 PolarHBondContact O-N 3.29Å; N68-V86 HydrophobicContact CB-CG2 3.81Å; N68-I133 HydrophobicContact CB-CD1 4.23Å; N68-R134 PolarHBondContact OD1-N 3.19Å
69V98.9Very high98.3Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-79125.2-175.3179.70000110.7P72 I75 V83 R134 F168 F406V69-P72 HydrophobicContact CG1-CB 4.32Å; V69-I75 HydrophobicContact CG1-CD1 3.56Å; V69-V83 HydrophobicContact CG2-CG1 4.2Å; V69-R134 WeakPolarHBondContact CB-O 3.45Å; V69-R134 WeakPolarHBondContact CG2-O 3.45Å; V69-R134 PolarHBondContact N-O 3.36Å; V69-R134 VanDerWaalsContact O-CZ 3.26Å; V69-R134 PolarHBondContact O-NE 3Å; V69-R134 PolarHBondContact O-NH2 2.66Å; V69-F168 HydrophobicContact CG1-CD1 4.3Å; V69-F168 HydrophobicContact CG1-CE1 4.08Å; V69-F168 HydrophobicContact CG2-CD1 4.37Å; V69-F168 HydrophobicContact CG2-CE1 4.16Å; V69-F406 HydrophobicContact CG1-CZ 4.48Å; V69-F406 HydrophobicContact CG2-CE1 3.67Å; V69-F406 HydrophobicContact CG2-CZ 3.57Å
70T98.8Very high98.5Very high56 Ų5637.1 Ų37.134%0.34418%0.181SC..SBendtrans-94.5-29.4-175.664.20000113.8P72 R82 E84 R134T70-P72 WeakPolarHBondContact O-CD 3.48Å; T70-R82 PolarHBondContact N-O 3.36Å; T70-R82 WeakPolarHBondContact OG1-CB 3.4Å; T70-R82 PolarHBondContact OG1-O 3.35Å; T70-E84 HydrophobicContact CG2-CB 4.48Å; T70-E84 HydrophobicContact CG2-CG 3.84Å; T70-R134 PolarHBondContact O-NH2 2.96Å
71N98.6Very high98.6Very high12 Ų1236.4 Ų36.46%0.06418%0.177CC..  trans-127.155.7-172.268.5-34.8000114.3E73 E74 I75 T80 R82N71-E73 PolarHBondContact O-N 3.48Å; N71-E74 VanDerWaalsContact C-OE2 3.31Å; N71-E74 WeakPolarHBondContact CA-OE2 3.29Å; N71-E74 HydrophobicContact CB-CB 4.02Å; N71-E74 HydrophobicContact CB-CG 4.17Å; N71-E74 WeakPolarHBondContact CB-OE2 3.33Å; N71-E74 PolarHBondContact O-N 3.14Å; N71-I75 WeakPolarHBondContact O-CD1 3.46Å; N71-I75 VanDerWaalsContact O-CG1 3.24Å; N71-I75 WeakPolarHBondContact O-CG1 3.45Å; N71-I75 PolarHBondContact O-N 2.84Å; N71-I75 VanDerWaalsContact O-N 3.07Å; N71-I75 WeakPolarHBondContact OD1-CD1 3.33Å; N71-T80 PolarHBondContact ND2-O 3.38Å; N71-R82 WeakPolarHBondContact OD1-CB 3.35Å; N71-R82 PolarHBondContact OD1-N 3.23Å; N71-R82 PolarHBondContact OD1-O 3.2Å
72P98.4Very high98.6Very high12 Ų1239.7 Ų39.78%0.07819%0.189CC..Hα-helixtrans-60.9-38.1-172.526.7-36.5000114.1V69 T70 I75 L76 F168V69-P72 HydrophobicContact CG1-CB 4.32Å; T70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-I75 PolarHBondContact O-N 3.49Å; P72-L76 WeakPolarHBondContact O-CG 3.47Å; P72-L76 PolarHBondContact O-N 3.19Å; P72-L76 VanDerWaalsContact O-N 3.14Å; P72-F168 HydrophobicContact CB-CB 3.94Å; P72-F168 HydrophobicContact CB-CD1 4.35Å; P72-F168 HydrophobicContact CB-CD2 3.6Å; P72-F168 HydrophobicContact CB-CE2 4.2Å; P72-F168 HydrophobicContact CB-CG 3.7Å
73E98.3Very high98.6Very high111 Ų11140 Ų4052%0.51919%0.191SC..Hα-helixtrans-72-37.3-178.5-62.9-60.1143.400111.7N71 I75 L76 R77N71-E73 PolarHBondContact O-N 3.48Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-L76 PolarHBondContact O-N 3.06Å; E73-R77 WeakPolarHBondContact O-CG 3.36Å; E73-R77 PolarHBondContact O-N 2.92Å
74E98.6Very high98.6Very high60 Ų6044.1 Ų44.128%0.2821%0.21SC..Hα-helixtrans-63.6-41173.7-66.762.4-13900110.7N71 L76 R77 G78 E79N71-E74 VanDerWaalsContact C-OE2 3.31Å; N71-E74 WeakPolarHBondContact CA-OE2 3.29Å; N71-E74 HydrophobicContact CB-CB 4.02Å; N71-E74 HydrophobicContact CB-CG 4.17Å; N71-E74 WeakPolarHBondContact CB-OE2 3.33Å; N71-E74 PolarHBondContact O-N 3.14Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.44Å; E74-R77 CarbonylContact O-C 3.57Å; E74-R77 WeakPolarHBondContact O-CA 3.31Å; E74-R77 WeakPolarHBondContact O-CB 3.24Å; E74-R77 PolarHBondContact O-N 3.49Å; E74-R77 IonicContact OE1-CZ 3.49Å; E74-R77 IonicContact OE1-NH2 2.68Å; E74-R77 PolarHBondContact OE1-NH2 3.18Å; E74-G78 PolarHBondContact O-N 3.34Å; E74-E79 HydrophobicContact CB-CB 3.94Å; E74-E79 HydrophobicContact CB-CG 4.15Å; E74-E79 VanDerWaalsContact O-CB 3.29Å; E74-E79 WeakPolarHBondContact O-CB 3.39Å; E74-E79 PolarHBondContact O-N 3.12Å
75I98.6Very high98.6Very high1 Ų148.6 Ų48.61%0.00523%0.231CC..Hα-helixtrans-61.5-42.6176.2-65.4162.6000110.9V69 N71 P72 E73 R77 G78 P81 F168 I401 M404 F406V69-I75 HydrophobicContact CG1-CD1 3.56Å; N71-I75 WeakPolarHBondContact O-CD1 3.46Å; N71-I75 VanDerWaalsContact O-CG1 3.24Å; N71-I75 WeakPolarHBondContact O-CG1 3.45Å; N71-I75 PolarHBondContact O-N 2.84Å; N71-I75 VanDerWaalsContact O-N 3.07Å; N71-I75 WeakPolarHBondContact OD1-CD1 3.33Å; P72-I75 PolarHBondContact O-N 3.49Å; E73-I75 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.48Å; I75-G78 PolarHBondContact O-N 3.5Å; I75-P81 HydrophobicContact CD1-CB 3.62Å; I75-P81 HydrophobicContact CD1-CG 4.11Å; I75-P81 HydrophobicContact CG1-CB 3.86Å; I75-P81 HydrophobicContact CG1-CG 3.93Å; I75-P81 HydrophobicContact CG2-CG 4.23Å; I75-F168 HydrophobicContact CB-CE2 4.1Å; I75-F168 HydrophobicContact CB-CZ 4.08Å; I75-F168 HydrophobicContact CD1-CE1 4.4Å; I75-F168 HydrophobicContact CD1-CZ 3.9Å; I75-F168 HydrophobicContact CG2-CE2 3.99Å; I75-F168 HydrophobicContact CG2-CZ 3.73Å; I75-I401 HydrophobicContact CG2-CD1 3.55Å; I75-I401 HydrophobicContact CG2-CG1 3.7Å; I75-M404 HydrophobicContact CG2-CE 4.09Å; I75-F406 HydrophobicContact CD1-CE2 4.19Å; I75-F406 HydrophobicContact CD1-CZ 4.33Å
76L97.9Very high98.6Very high38 Ų3848.6 Ų48.620%0.19924%0.235CC..Hα-helixtrans-65.2-18.7175.4-70.9175000113.2P72 E73 E74 L167 F168 D400P72-L76 WeakPolarHBondContact O-CG 3.47Å; P72-L76 PolarHBondContact O-N 3.19Å; P72-L76 VanDerWaalsContact O-N 3.14Å; E73-L76 PolarHBondContact O-N 3.06Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.44Å; L76-L167 HydrophobicContact CD2-CB 4.1Å; L76-L167 HydrophobicContact CD2-CD2 3.5Å; L76-L167 VanDerWaalsContact CD2-CD2 3.5Å; L76-L167 HydrophobicContact CD2-CG 4.42Å; L76-F168 HydrophobicContact CD1-CD2 4.44Å; L76-F168 HydrophobicContact CD2-CE2 4.3Å; L76-F168 HydrophobicContact CG-CD2 4.28Å; L76-F168 HydrophobicContact CG-CE2 4.12Å; L76-D400 WeakPolarHBondContact O-CA 3.32Å; L76-D400 PolarHBondContact O-N 3.41Å
77R98.3Very high98.6Very high142 Ų14249.7 Ų49.754%0.53625%0.245SC..THydrogen-bonded Turntrans-92.16171.1-64.8-173.1-63.5-110.11.3113.3E73 E74 I75 E79E73-R77 WeakPolarHBondContact O-CG 3.36Å; E73-R77 PolarHBondContact O-N 2.92Å; E74-R77 CarbonylContact O-C 3.57Å; E74-R77 WeakPolarHBondContact O-CA 3.31Å; E74-R77 WeakPolarHBondContact O-CB 3.24Å; E74-R77 PolarHBondContact O-N 3.49Å; E74-R77 IonicContact OE1-CZ 3.49Å; E74-R77 IonicContact OE1-NH2 2.68Å; E74-R77 PolarHBondContact OE1-NH2 3.18Å; I75-R77 PolarHBondContact O-N 3.48Å; R77-E79 IonicContact NE-OE1 3.58Å; R77-E79 IonicContact NH2-OE1 3.54Å
78G97.7Very high98.5Very high18 Ų1851.1 Ų51.119%0.18626%0.255CS..THydrogen-bonded Turntrans8317.2178.500000114.7E74 I75 D400 R402E74-G78 PolarHBondContact O-N 3.34Å; I75-G78 PolarHBondContact O-N 3.5Å; G78-D400 WeakPolarHBondContact CA-O 3.5Å; G78-D400 PolarHBondContact N-O 3.4Å; G78-R402 VanDerWaalsContact O-CZ 3.22Å; G78-R402 PolarHBondContact O-NE 3.33Å; G78-R402 PolarHBondContact O-NH2 2.97Å
79E98.4Very high98.5Very high91 Ų9149.3 Ų49.343%0.42525%0.245SC..PPolyproline II helixtrans-75.7169.6169.5-59.6-175.7-133.700111.6E74 R77E74-E79 HydrophobicContact CB-CB 3.94Å; E74-E79 HydrophobicContact CB-CG 4.15Å; E74-E79 VanDerWaalsContact O-CB 3.29Å; E74-E79 WeakPolarHBondContact O-CB 3.39Å; E74-E79 PolarHBondContact O-N 3.12Å; R77-E79 IonicContact NE-OE1 3.58Å; R77-E79 IonicContact NH2-OE1 3.54Å
80T98.6Very high98.5Very high49 Ų4949.3 Ų49.330%0.30125%0.245SC..PPolyproline II helixtrans-74.7128.9-179.7-50.20000109.9N71 A352 R402N71-T80 PolarHBondContact ND2-O 3.38Å; T80-A352 WeakPolarHBondContact CG2-O 3.39Å; T80-R402 PolarHBondContact OG1-NH1 2.73Å
81P98.8Very high98.5Very high0 Ų047 Ų470%023%0.23CC..PPolyproline II helixtrans-61.8141.9174.9-21.832000112.9I75 I353 E354 M404 F406I75-P81 HydrophobicContact CD1-CB 3.62Å; I75-P81 HydrophobicContact CD1-CG 4.11Å; I75-P81 HydrophobicContact CG1-CB 3.86Å; I75-P81 HydrophobicContact CG1-CG 3.93Å; I75-P81 HydrophobicContact CG2-CG 4.23Å; P81-I353 HydrophobicContact CB-CG1 4.42Å; P81-I353 HydrophobicContact CB-CG2 4.29Å; P81-I353 HydrophobicContact CG-CG1 4.33Å; P81-E354 WeakPolarHBondContact O-CB 3.38Å; P81-E354 PolarHBondContact O-N 2.61Å; P81-M404 HydrophobicContact CG-CE 3.43Å; P81-M404 VanDerWaalsContact CG-CE 3.43Å; P81-M404 HydrophobicContact CG-SD 3.52Å; P81-M404 VanDerWaalsContact CG-SD 3.52Å; P81-F406 HydrophobicContact CB-CE2 3.7Å; P81-F406 HydrophobicContact CB-CZ 4.26Å; P81-F406 HydrophobicContact CG-CD2 4.28Å; P81-F406 HydrophobicContact CG-CE2 3.77Å
82R98.8Very high98.5Very high126 Ų12649.9 Ų49.948%0.47524%0.24SC..BIsolated β-bridgetrans-122.7121.2173.4-61.7-174.4170.9156.23.5109.5T70 N71 E354T70-R82 PolarHBondContact N-O 3.36Å; T70-R82 WeakPolarHBondContact OG1-CB 3.4Å; T70-R82 PolarHBondContact OG1-O 3.35Å; N71-R82 WeakPolarHBondContact OD1-CB 3.35Å; N71-R82 PolarHBondContact OD1-N 3.23Å; N71-R82 PolarHBondContact OD1-O 3.2Å; R82-E354 WeakPolarHBondContact CA-O 3.26Å; R82-E354 HydrophobicContact CB-CB 4.5Å; R82-E354 WeakPolarHBondContact CD-OE2 3.21Å; R82-E354 HydrophobicContact CG-CB 3.96Å; R82-E354 HydrophobicContact CG-CG 4.32Å; R82-E354 WeakPolarHBondContact CG-OE2 3.5Å; R82-E354 IonicContact CZ-OE2 3.94Å; R82-E354 IonicContact NE-OE1 3.51Å; R82-E354 IonicContact NE-OE2 2.81Å; R82-E354 PolarHBondContact NE-OE2 3.12Å; R82-E354 IonicContact NH2-OE2 2.83Å
83V98.8Very high98.5Very high10 Ų1049.8 Ų49.86%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-121.6148.9179.5-60.90000111.6F67 N68 V69 I353 E354 M356 F406F67-V83 HydrophobicContact CB-CB 3.97Å; F67-V83 HydrophobicContact CB-CG1 4.24Å; F67-V83 HydrophobicContact CB-CG2 4.13Å; F67-V83 HydrophobicContact CD1-CG2 3.93Å; F67-V83 HydrophobicContact CG-CG2 4.31Å; N68-V83 CarbonylContact O-C 3.52Å; N68-V83 VanDerWaalsContact O-CA 3.31Å; N68-V83 WeakPolarHBondContact O-CA 3.25Å; V69-V83 HydrophobicContact CG2-CG1 4.2Å; V83-I353 HydrophobicContact CG1-CG2 4.4Å; V83-I353 HydrophobicContact CG2-CG2 4Å; V83-E354 PolarHBondContact N-O 3.18Å; V83-M356 HydrophobicContact CG2-CE 3.54Å; V83-F406 HydrophobicContact CG1-CZ 4.43Å
84E98.8Very high98.4Very high124 Ų12448.3 Ų48.358%0.57923%0.234SC*.EExtended strand (participates in β ladder)trans-113.7132.1169.9-71.5-178.3168.700109.3N68 T70N68-E84 PolarHBondContact N-O 3.49Å; N68-E84 PolarHBondContact O-N 3.29Å; T70-E84 HydrophobicContact CG2-CB 4.48Å; T70-E84 HydrophobicContact CG2-CG 3.84Å
85E98.8Very high98.3Very high95 Ų9547.4 Ų47.444%0.44423%0.228SC..EExtended strand (participates in β ladder)trans-71.2134.6175.4-174.9-172.669.200110.6F66 F67 H341 Y410F66-E85 CarbonylContact O-C 3.56Å; F66-E85 WeakPolarHBondContact O-CA 3.3Å; F67-E85 HydrophobicContact CE1-CB 4.39Å; E85-H341 IonicContact OE2-CE1 2.69Å; E85-H341 IonicContact OE2-NE2 3.76Å; E85-H341 PolarHBondContact OE2-NE2 3.33Å; E85-H341 VanDerWaalsContact OE2-NE2 3.12Å; E85-Y410 HydrophobicContact CG-CE1 4.44Å; E85-Y410 WeakPolarHBondContact OE2-CE1 3.47Å; E85-Y410 VanDerWaalsContact OE2-CZ 3.25Å; E85-Y410 PolarHBondContact OE2-OH 3.18Å
86V98.9Very high98.2Very high35 Ų3550.3 Ų50.321%0.21224%0.243CC..EExtended strand (participates in β ladder)trans-131.3112.8178-174.90000109.6F66 N68 Y89 I133F66-V86 PolarHBondContact N-O 2.79Å; F66-V86 PolarHBondContact O-N 2.98Å; N68-V86 HydrophobicContact CB-CG2 3.81Å; V86-Y89 HydrophobicContact CG1-CE2 4.13Å; V86-I133 HydrophobicContact CB-CD1 3.78Å; V86-I133 HydrophobicContact CG1-CD1 3.94Å; V86-I133 HydrophobicContact CG2-CD1 3.95Å
87G98.2Very high98.1Very high22 Ų2249.2 Ų49.223%0.22724%0.237CC..EExtended strand (participates in β ladder)trans171.3-175.517800000112.5
88P98.7Very high98Very high31 Ų3143.5 Ų43.520%0.20122%0.22CC..EExtended strand (participates in β ladder)cis-79.3152.8-3.829.2-32.8000113.5Q63 F64 Y65 S124 V125Q63-P88 HydrophobicContact CB-CB 3.9Å; Q63-P88 HydrophobicContact CG-CB 4.29Å; F64-P88 WeakPolarHBondContact O-CA 3.45Å; Y65-P88 HydrophobicContact CD1-CB 4.48Å; Y65-P88 HydrophobicContact CE1-CB 3.78Å; Y65-P88 HydrophobicContact CE1-CG 4.32Å; Y65-P88 HydrophobicContact CE2-CB 4.25Å; P88-S124 CarbonylContact O-C 3.55Å; P88-S124 VanDerWaalsContact O-CA 3.28Å; P88-S124 WeakPolarHBondContact O-CA 3.23Å; P88-V125 PolarHBondContact O-N 3.33Å
89Y98.9Very high97.9Very high3 Ų348.1 Ų48.11%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-105.2107.8156.3-60.8-89.7000108.5Q63 F64 F66 V86 V125 P128 D131 V173Q63-Y89 WeakPolarHBondContact CA-O 3.44Å; F64-Y89 PolarHBondContact N-O 2.93Å; F64-Y89 PolarHBondContact O-N 2.96Å; F66-Y89 HydrophobicContact CD2-CD2 4.35Å; F66-Y89 HydrophobicContact CD2-CE2 4.45Å; V86-Y89 HydrophobicContact CG1-CE2 4.13Å; Y89-V125 HydrophobicContact CE1-CG1 4.07Å; Y89-V125 HydrophobicContact CE2-CG1 4.07Å; Y89-P128 HydrophobicContact CD1-CB 3.88Å; Y89-P128 HydrophobicContact CD1-CG 4.46Å; Y89-P128 HydrophobicContact CE1-CB 4.25Å; Y89-D131 HydrophobicContact CE1-CB 4.23Å; Y89-D131 WeakPolarHBondContact CE1-OD2 3.22Å; Y89-D131 WeakPolarHBondContact OH-CB 3.43Å; Y89-D131 PolarHBondContact OH-OD2 2.88Å; Y89-V173 HydrophobicContact CD1-CG1 4.15Å; Y89-V173 HydrophobicContact CD2-CG1 3.94Å; Y89-V173 HydrophobicContact CD2-CG2 4.32Å; Y89-V173 HydrophobicContact CE1-CB 4.4Å; Y89-V173 HydrophobicContact CE1-CG1 4.38Å; Y89-V173 HydrophobicContact CE1-CG2 4.14Å; Y89-V173 HydrophobicContact CE2-CB 4.48Å; Y89-V173 HydrophobicContact CE2-CG1 4.19Å; Y89-V173 HydrophobicContact CE2-CG2 3.72Å; Y89-V173 HydrophobicContact CG-CG1 3.92Å
90T98.9Very high97.9Very high0 Ų045.6 Ų45.60%023%0.232CC..EExtended strand (participates in β ladder)trans-95.1126.9-167.9-59.90000111Y61 Q63 F119 E120 Q123 S124Y61-T90 HydrophobicContact CD1-CG2 3.91Å; Q63-T90 HydrophobicContact CG-CG2 4.18Å; T90-F119 WeakPolarHBondContact O-CD2 3.34Å; T90-E120 HydrophobicContact CG2-CB 4.38Å; T90-E120 PolarHBondContact O-N 3.29Å; T90-Q123 WeakPolarHBondContact CB-O 3.39Å; T90-Q123 HydrophobicContact CG2-CB 3.92Å; T90-Q123 PolarHBondContact OG1-O 2.73Å; T90-S124 PolarHBondContact N-OG 3.42Å
91Y98.8Very high97.8Very high7 Ų749.4 Ų49.43%0.02725%0.246CC..EExtended strand (participates in β ladder)trans-124.6126.9174.5-69.4-101.9000109.9Y61 T62 F64 V118 F119 L177 W178Y61-Y91 CarbonylContact C-O 3.53Å; Y61-Y91 WeakPolarHBondContact CA-O 3.24Å; T62-Y91 PolarHBondContact N-O 2.81Å; T62-Y91 PolarHBondContact O-N 3.14Å; F64-Y91 AromaticContact CD2-CD2 3.67Å; F64-Y91 HydrophobicContact CD2-CD2 3.67Å; F64-Y91 AromaticContact CD2-CE2 3.89Å; F64-Y91 HydrophobicContact CD2-CE2 3.89Å; F64-Y91 AromaticContact CE2-CD2 3.58Å; F64-Y91 HydrophobicContact CE2-CD2 3.58Å; F64-Y91 HydrophobicContact CE2-CE2 4.01Å; F64-Y91 HydrophobicContact CE2-CG 4.26Å; Y91-V118 CarbonylContact C-O 3.5Å; Y91-V118 VanDerWaalsContact CA-O 3.3Å; Y91-V118 WeakPolarHBondContact CA-O 3.44Å; Y91-F119 HydrophobicContact CD1-CB 3.85Å; Y91-F119 HydrophobicContact CD1-CD2 4.33Å; Y91-F119 HydrophobicContact CD2-CD2 4.21Å; Y91-F119 HydrophobicContact CE1-CB 3.56Å; Y91-F119 AromaticContact CE1-CD2 3.94Å; Y91-F119 HydrophobicContact CE1-CD2 3.94Å; Y91-F119 HydrophobicContact CE1-CG 4.14Å; Y91-F119 AromaticContact CE2-CD2 3.81Å; Y91-F119 HydrophobicContact CE2-CD2 3.81Å; Y91-F119 HydrophobicContact CE2-CE2 4.43Å; Y91-F119 HydrophobicContact CG-CD2 4.46Å; Y91-F119 AromaticContact CZ-CD2 3.65Å; Y91-L177 HydrophobicContact CE2-CD1 4.05Å; Y91-W178 AromaticContact CD1-CZ2 3.87Å; Y91-W178 HydrophobicContact CD1-CZ2 3.87Å; Y91-W178 AromaticContact CE1-CE2 3.94Å; Y91-W178 AromaticContact CE1-CZ2 3.57Å; Y91-W178 HydrophobicContact CE1-CZ2 3.57Å; Y91-W178 AromaticContact CE1-NE1 3.77Å; Y91-W178 HydrophobicContact CE2-CZ2 4.34Å; Y91-W178 HydrophobicContact CG-CZ2 4.37Å; Y91-W178 AromaticContact CZ-CZ2 3.84Å; Y91-W178 AromaticContact CZ-NE1 3.62Å; Y91-W178 PolarHBondContact OH-NE1 3.32Å
92R98.4Very high97.7Very high73 Ų7353.2 Ų53.228%0.27526%0.263SS..EExtended strand (participates in β ladder)trans-80.3133.4169.6-173.5169.352.777.15.5109.9Y61 L94 V118 E120Y61-R92 HydrophobicContact CD1-CB 3.85Å; Y61-R92 HydrophobicContact CD1-CG 4.22Å; Y61-R92 HydrophobicContact CE1-CB 3.65Å; Y61-R92 HydrophobicContact CE1-CG 3.8Å; R92-L94 VanDerWaalsContact NH1-CD2 3.28Å; R92-V118 PolarHBondContact N-O 2.98Å; R92-V118 PolarHBondContact O-N 2.98Å; R92-E120 HydrophobicContact CB-CG 4.02Å; R92-E120 IonicContact CZ-OE1 2.81Å; R92-E120 IonicContact NE-OE1 2.79Å; R92-E120 PolarHBondContact NE-OE1 2.83Å; R92-E120 IonicContact NH2-OE1 3.44Å
93E97.6Very high97.4Very high9 Ų948.4 Ų48.44%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-88.1139.2179.2-62.1-175.8-157.600111.7V60 T62 R95 K115 A116 Y117V60-E93 HydrophobicContact CB-CB 4.24Å; V60-E93 PolarHBondContact O-N 2.93Å; T62-E93 PolarHBondContact OG1-OE1 2.9Å; E93-R95 HydrophobicContact CB-CG 4.29Å; E93-R95 IonicContact OE1-NH2 2.76Å; E93-R95 IonicContact OE2-CZ 3.25Å; E93-R95 IonicContact OE2-NE 3.46Å; E93-R95 PolarHBondContact OE2-NE 2.91Å; E93-R95 IonicContact OE2-NH2 3.67Å; E93-R95 PolarHBondContact OE2-NH2 2.98Å; E93-K115 HydrophobicContact CB-CG 4.47Å; E93-K115 HydrophobicContact CG-CD 4.4Å; E93-K115 HydrophobicContact CG-CG 4.42Å; E93-K115 IonicContact OE1-NZ 2.82Å; E93-K115 WeakPolarHBondContact OE2-CD 3.17Å; E93-K115 WeakPolarHBondContact OE2-CE 3.26Å; E93-K115 IonicContact OE2-NZ 3.56Å; E93-K115 PolarHBondContact OE2-NZ 2.88Å; E93-A116 CarbonylContact C-O 3.58Å; E93-A116 VanDerWaalsContact CA-O 3.25Å; E93-A116 WeakPolarHBondContact CA-O 3.36Å; E93-Y117 HydrophobicContact CG-CD1 4.03Å; E93-Y117 HydrophobicContact CG-CE1 3.98Å
94L96.8Very high96.9Very high80 Ų8053.5 Ų53.542%0.41928%0.279SS..EExtended strand (participates in β ladder)trans-104.4113.9164.4-53.5178.7000107.1R92 K115 A116 V118R92-L94 VanDerWaalsContact NH1-CD2 3.28Å; L94-K115 WeakPolarHBondContact O-CA 3.47Å; L94-A116 HydrophobicContact CB-CB 4.24Å; L94-A116 PolarHBondContact N-O 2.93Å; L94-A116 PolarHBondContact O-N 3.04Å; L94-V118 HydrophobicContact CD1-CG2 3.8Å; L94-V118 HydrophobicContact CG-CG2 3.99Å
95R95.9Very high96.3Very high41 Ų4156 Ų5616%0.15530%0.297CS..EExtended strand (participates in β ladder)trans-115.6137.6-178.8-64.3-172.8-179.7-161.66.5110.9P56 E93 N114 D254 E413P56-R95 HydrophobicContact CG-CB 4.27Å; E93-R95 HydrophobicContact CB-CG 4.29Å; E93-R95 IonicContact OE1-NH2 2.76Å; E93-R95 IonicContact OE2-CZ 3.25Å; E93-R95 IonicContact OE2-NE 3.46Å; E93-R95 PolarHBondContact OE2-NE 2.91Å; E93-R95 IonicContact OE2-NH2 3.67Å; E93-R95 PolarHBondContact OE2-NH2 2.98Å; R95-N114 WeakPolarHBondContact CA-O 3.08Å; R95-D254 IonicContact NH1-OD1 2.75Å; R95-D254 PolarHBondContact NH1-OD1 2.86Å; R95-D254 IonicContact NH1-OD2 3.62Å; R95-D254 PolarHBondContact NH1-OD2 3.42Å; R95-E413 IonicContact CZ-OE1 3.57Å; R95-E413 IonicContact NH2-OE1 3.72Å; R95-E413 PolarHBondContact NH2-OE1 2.9Å
96N95.4Very high95.8Very high63 Ų6352.4 Ų52.434%0.33729%0.285SS..EExtended strand (participates in β ladder)trans-156.4149.7166.465.4-68.8000110.6E54 N114E54-N96 CarbonylContact O-C 3.54Å; E54-N96 WeakPolarHBondContact O-CA 3.44Å; N96-N114 PolarHBondContact N-O 3.02Å; N96-N114 PolarHBondContact O-N 2.77Å
97K96.6Very high95.6Very high14 Ų1452.9 Ų52.96%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-80.4141.3165.6-56.3-63.8-161.6-1070108.6W53 E54 V100 A111 V112 S113 D252W53-K97 HydrophobicContact CD2-CG 4.06Å; W53-K97 HydrophobicContact CE3-CB 4.48Å; W53-K97 HydrophobicContact CE3-CG 4.07Å; W53-K97 HydrophobicContact CH2-CB 4.15Å; W53-K97 HydrophobicContact CH2-CD 4.49Å; W53-K97 HydrophobicContact CH2-CG 3.98Å; W53-K97 HydrophobicContact CZ2-CD 4.11Å; W53-K97 HydrophobicContact CZ2-CG 3.95Å; W53-K97 HydrophobicContact CZ3-CB 4.08Å; W53-K97 HydrophobicContact CZ3-CG 4.03Å; W53-K97 VanDerWaalsContact O-CG 3.3Å; W53-K97 WeakPolarHBondContact O-CG 3.26Å; E54-K97 HydrophobicContact CG-CB 4.42Å; E54-K97 PolarHBondContact O-N 3.44Å; K97-V100 HydrophobicContact CB-CG2 4.16Å; K97-A111 HydrophobicContact CB-CB 4.27Å; K97-V112 CarbonylContact C-O 3.55Å; K97-V112 VanDerWaalsContact CA-O 3.28Å; K97-V112 WeakPolarHBondContact CA-O 3.2Å; K97-S113 WeakPolarHBondContact CD-OG 3.29Å; K97-S113 VanDerWaalsContact CE-OG 3.23Å; K97-S113 WeakPolarHBondContact CE-OG 3.34Å; K97-S113 PolarHBondContact NZ-OG 3.36Å; K97-D252 IonicContact NZ-OD2 3.28Å; K97-D252 PolarHBondContact NZ-OD2 3.18Å
98A96Very high95.6Very high22 Ų2252.6 Ų52.618%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-133.4169.8174.300000110.6V100 A111 V112 N114A98-V100 PolarHBondContact O-N 2.83Å; A98-A111 WeakPolarHBondContact O-CA 3.29Å; A98-V112 HydrophobicContact CB-CG2 3.86Å; A98-V112 PolarHBondContact N-O 3.07Å; A98-V112 PolarHBondContact O-N 3.23Å; A98-N114 WeakPolarHBondContact CB-ND2 3.14Å
99N96.6Very high95.5Very high115 Ų11551.1 Ų51.162%0.61527%0.272SS*.EExtended strand (participates in β ladder)trans5337-177.6-57.2-23.5000112.9Q101 V112N99-Q101 PolarHBondContact O-N 3.23Å; N99-V112 HydrophobicContact CB-CG2 4.45Å
100V97.1Very high95.5Very high39 Ų3952.7 Ų52.724%0.23628%0.284CS..EExtended strand (participates in β ladder)trans-68.2122.1-174.9-176.50000110.3F50 W53 K97 A98 I109 S110 A111F50-V100 HydrophobicContact CE2-CG1 4.12Å; F50-V100 HydrophobicContact CZ-CG1 4.21Å; W53-V100 HydrophobicContact CH2-CG1 4.47Å; W53-V100 HydrophobicContact CZ3-CG1 4.14Å; W53-V100 HydrophobicContact CZ3-CG2 4.2Å; K97-V100 HydrophobicContact CB-CG2 4.16Å; A98-V100 PolarHBondContact O-N 2.83Å; V100-I109 HydrophobicContact CG1-CD1 3.57Å; V100-I109 HydrophobicContact CG1-CG1 3.86Å; V100-S110 CarbonylContact C-O 3.46Å; V100-S110 VanDerWaalsContact CA-O 3.28Å; V100-S110 WeakPolarHBondContact CA-O 3.07Å; V100-A111 HydrophobicContact CG2-CB 4.12Å
101Q96.9Very high95.4Very high129 Ų12952.9 Ų52.960%0.60329%0.285SS*.EExtended strand (participates in β ladder)trans-135.2131.2176.2-54.9178.222.800110.7N99 I109 S110N99-Q101 PolarHBondContact O-N 3.23Å; Q101-I109 CarbonylContact O-C 3.56Å; Q101-I109 WeakPolarHBondContact O-CA 3.42Å; Q101-S110 PolarHBondContact N-O 3.44Å; Q101-S110 PolarHBondContact O-N 2.95Å; Q101-S110 PolarHBondContact O-OG 3.37Å
102F96.4Very high95.3Very high80 Ų8052.7 Ų52.735%0.35128%0.284SS..EExtended strand (participates in β ladder)trans-84.3134.8175.6-70.4-86.7000110.6L43 F50 I109L43-F102 WeakPolarHBondContact O-CE1 3.49Å; F50-F102 HydrophobicContact CD2-CZ 4.09Å; F50-F102 HydrophobicContact CE2-CE2 4.26Å; F50-F102 AromaticContact CE2-CZ 3.66Å; F50-F102 HydrophobicContact CE2-CZ 3.66Å; F50-F102 HydrophobicContact CZ-CE2 4.38Å; F50-F102 HydrophobicContact CZ-CZ 4.15Å; F102-I109 HydrophobicContact CD1-CB 4.39Å; F102-I109 HydrophobicContact CD1-CD1 4.05Å; F102-I109 HydrophobicContact CD1-CG1 4.2Å; F102-I109 HydrophobicContact CE1-CD1 3.56Å; F102-I109 HydrophobicContact CE1-CG1 4.21Å; F102-I109 HydrophobicContact CE2-CD1 4.31Å; F102-I109 HydrophobicContact CZ-CD1 3.71Å
103G93.6Very high95.2Very high25 Ų2550.1 Ų50.126%0.25828%0.278SS..EExtended strand (participates in β ladder)trans-118.1169.7175.600000112.3N105 G106 T107 T108G103-N105 PolarHBondContact O-N 2.84Å; G103-N105 VanDerWaalsContact O-N 3.15Å; G103-G106 WeakPolarHBondContact O-CA 3.39Å; G103-G106 PolarHBondContact O-N 2.9Å; G103-T107 PolarHBondContact O-N 3.34Å; G103-T108 VanDerWaalsContact CA-OG1 3.26Å; G103-T108 WeakPolarHBondContact CA-OG1 3.29Å; G103-T108 PolarHBondContact N-O 3.45Å; G103-T108 PolarHBondContact O-N 3.49Å; G103-T108 PolarHBondContact O-OG1 3.28Å
104D87.7Confident95.1Very high116 Ų11651.3 Ų51.362%0.6229%0.285SS*.G310 helixtrans46.350.7170-55-49.3000115G106 T107 T108D104-G106 PolarHBondContact O-N 3.18Å; D104-G106 VanDerWaalsContact O-N 3.15Å; D104-T107 WeakPolarHBondContact O-CB 3.28Å; D104-T107 PolarHBondContact O-N 3.35Å; D104-T107 VanDerWaalsContact O-N 3.15Å; D104-T107 PolarHBondContact O-OG1 3.03Å; D104-T108 HydrophobicContact CB-CG2 4.47Å; D104-T108 VanDerWaalsContact OD2-CG2 3.27Å; D104-T108 WeakPolarHBondContact OD2-CG2 3.48Å; D104-T108 PolarHBondContact OD2-OG1 2.78Å
105N86.3Confident95.1Very high178 Ų17849.3 Ų49.395%0.95227%0.273SS*.G310 helixtrans54.429.5-177.2-63.2-31.4000114.3G103G103-N105 PolarHBondContact O-N 2.84Å; G103-N105 VanDerWaalsContact O-N 3.15Å
106G88.3Confident95.1Very high19 Ų1948.4 Ų48.420%0.19627%0.274CS..G310 helixtrans97.64.8178.200000114.9G103 D104 T217G103-G106 WeakPolarHBondContact O-CA 3.39Å; G103-G106 PolarHBondContact O-N 2.9Å; D104-G106 PolarHBondContact O-N 3.18Å; D104-G106 VanDerWaalsContact O-N 3.15Å; G106-T217 WeakPolarHBondContact O-CB 3.5Å; G106-T217 VanDerWaalsContact O-CG2 3.28Å; G106-T217 WeakPolarHBondContact O-CG2 3.31Å; G106-T217 PolarHBondContact O-OG1 2.82Å
107T95.1Very high95.3Very high44 Ų4446.4 Ų46.427%0.2726%0.262SS..THydrogen-bonded Turntrans-80.2-31.8177.6-47.10000112.2G103 D104 L216 T217 D220G103-T107 PolarHBondContact O-N 3.34Å; D104-T107 WeakPolarHBondContact O-CB 3.28Å; D104-T107 PolarHBondContact O-N 3.35Å; D104-T107 VanDerWaalsContact O-N 3.15Å; D104-T107 PolarHBondContact O-OG1 3.03Å; T107-L216 HydrophobicContact CG2-CD2 4.37Å; T107-T217 PolarHBondContact O-N 3.24Å; T107-T217 PolarHBondContact O-OG1 3.32Å; T107-D220 HydrophobicContact CG2-CB 3.86Å
108T97.3Very high95.4Very high16 Ų1648.2 Ų48.210%0.09827%0.274CS..EExtended strand (participates in β ladder)trans-115.7153.8177.854.20000110.8G103 D104 V214 F215 L216G103-T108 VanDerWaalsContact CA-OG1 3.26Å; G103-T108 WeakPolarHBondContact CA-OG1 3.29Å; G103-T108 PolarHBondContact N-O 3.45Å; G103-T108 PolarHBondContact O-N 3.49Å; G103-T108 PolarHBondContact O-OG1 3.28Å; D104-T108 HydrophobicContact CB-CG2 4.47Å; D104-T108 VanDerWaalsContact OD2-CG2 3.27Å; D104-T108 WeakPolarHBondContact OD2-CG2 3.48Å; D104-T108 PolarHBondContact OD2-OG1 2.78Å; T108-V214 HydrophobicContact CG2-CG1 4.45Å; T108-F215 CarbonylContact C-O 3.28Å; T108-F215 VanDerWaalsContact CA-O 3.27Å; T108-F215 WeakPolarHBondContact CA-O 3.21Å; T108-L216 HydrophobicContact CG2-CD2 3.99Å
109I97.8Very high95.5Very high0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-142.4124.6174.2-168.9172.3000109.6L43 F50 W53 V100 Q101 F102 F215 T217L43-I109 HydrophobicContact CD1-CG2 3.82Å; F50-I109 HydrophobicContact CD2-CD1 4.28Å; F50-I109 HydrophobicContact CE2-CD1 3.73Å; W53-I109 HydrophobicContact CH2-CD1 3.83Å; W53-I109 HydrophobicContact CH2-CG1 4.24Å; W53-I109 HydrophobicContact CH2-CG2 4.4Å; W53-I109 HydrophobicContact CZ2-CG2 4.48Å; W53-I109 HydrophobicContact CZ3-CD1 3.76Å; V100-I109 HydrophobicContact CG1-CD1 3.57Å; V100-I109 HydrophobicContact CG1-CG1 3.86Å; Q101-I109 CarbonylContact O-C 3.56Å; Q101-I109 WeakPolarHBondContact O-CA 3.42Å; F102-I109 HydrophobicContact CD1-CB 4.39Å; F102-I109 HydrophobicContact CD1-CD1 4.05Å; F102-I109 HydrophobicContact CD1-CG1 4.2Å; F102-I109 HydrophobicContact CE1-CD1 3.56Å; F102-I109 HydrophobicContact CE1-CG1 4.21Å; F102-I109 HydrophobicContact CE2-CD1 4.31Å; F102-I109 HydrophobicContact CZ-CD1 3.71Å; I109-F215 HydrophobicContact CG2-CB 3.88Å; I109-F215 PolarHBondContact N-O 3Å; I109-F215 PolarHBondContact O-N 3.3Å; I109-T217 HydrophobicContact CB-CG2 3.81Å; I109-T217 HydrophobicContact CG2-CG2 3.76Å
110S97.7Very high95.6Very high37 Ų3746.3 Ų46.326%0.25926%0.257SS..EExtended strand (participates in β ladder)trans-97.5142.517463.10000111V100 Q101 Y213V100-S110 CarbonylContact C-O 3.46Å; V100-S110 VanDerWaalsContact CA-O 3.28Å; V100-S110 WeakPolarHBondContact CA-O 3.07Å; Q101-S110 PolarHBondContact N-O 3.44Å; Q101-S110 PolarHBondContact O-N 2.95Å; Q101-S110 PolarHBondContact O-OG 3.37Å; S110-Y213 CarbonylContact C-O 3.56Å; S110-Y213 WeakPolarHBondContact CA-O 3.46Å; S110-Y213 WeakPolarHBondContact CB-O 3.43Å
111A97.7Very high95.6Very high4 Ų450.2 Ų50.23%0.03327%0.267CS..EExtended strand (participates in β ladder)trans-163.7165.7176.400000111.2W53 K97 A98 V100 Y213W53-A111 HydrophobicContact CH2-CB 3.64Å; W53-A111 HydrophobicContact CZ2-CB 4.19Å; K97-A111 HydrophobicContact CB-CB 4.27Å; A98-A111 WeakPolarHBondContact O-CA 3.29Å; V100-A111 HydrophobicContact CG2-CB 4.12Å; A111-Y213 PolarHBondContact N-O 2.83Å; A111-Y213 PolarHBondContact O-N 3.34Å
112V97.4Very high95.7Very high2 Ų250.3 Ų50.31%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-109.7144.8165.6-62.30000110.2K97 A98 N99 N209 D212K97-V112 CarbonylContact C-O 3.55Å; K97-V112 VanDerWaalsContact CA-O 3.28Å; K97-V112 WeakPolarHBondContact CA-O 3.2Å; A98-V112 HydrophobicContact CB-CG2 3.86Å; A98-V112 PolarHBondContact N-O 3.07Å; A98-V112 PolarHBondContact O-N 3.23Å; N99-V112 HydrophobicContact CB-CG2 4.45Å; V112-N209 HydrophobicContact CB-CB 3.84Å; V112-N209 HydrophobicContact CG2-CB 4.36Å; V112-D212 WeakPolarHBondContact CG1-OD1 3.09Å
113S95.6Very high95.8Very high20 Ų2050.5 Ų50.514%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-97.296.4176.9-70.30000110.4K97 N209K97-S113 WeakPolarHBondContact CD-OG 3.29Å; K97-S113 VanDerWaalsContact CE-OG 3.23Å; K97-S113 WeakPolarHBondContact CE-OG 3.34Å; K97-S113 PolarHBondContact NZ-OG 3.36Å; S113-N209 VanDerWaalsContact O-CA 3.29Å; S113-N209 WeakPolarHBondContact O-CA 3.37Å; S113-N209 VanDerWaalsContact O-CB 3.24Å; S113-N209 WeakPolarHBondContact O-CB 3.47Å
114N95.9Very high96Very high34 Ų3449.9 Ų49.918%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-78.7137.6176.3-66.7-40.9000110.7R95 N96 A98 T208 N209R95-N114 WeakPolarHBondContact CA-O 3.08Å; N96-N114 PolarHBondContact N-O 3.02Å; N96-N114 PolarHBondContact O-N 2.77Å; A98-N114 WeakPolarHBondContact CB-ND2 3.14Å; N114-T208 WeakPolarHBondContact CA-O 3.14Å; N114-N209 WeakPolarHBondContact OD1-CB 3.49Å; N114-N209 PolarHBondContact OD1-ND2 3.25Å
115K95.5Very high96.6Very high38 Ų3848.3 Ų48.317%0.16526%0.26CS..EExtended strand (participates in β ladder)trans-134.2129.5176.3-171.1-176.7-71-167.70110.4E93 L94 Y117 G207 T208 E413E93-K115 HydrophobicContact CB-CG 4.47Å; E93-K115 HydrophobicContact CG-CD 4.4Å; E93-K115 HydrophobicContact CG-CG 4.42Å; E93-K115 IonicContact OE1-NZ 2.82Å; E93-K115 WeakPolarHBondContact OE2-CD 3.17Å; E93-K115 WeakPolarHBondContact OE2-CE 3.26Å; E93-K115 IonicContact OE2-NZ 3.56Å; E93-K115 PolarHBondContact OE2-NZ 2.88Å; L94-K115 WeakPolarHBondContact O-CA 3.47Å; K115-Y117 HydrophobicContact CD-CE1 4.1Å; K115-Y117 HydrophobicContact CD-CE2 4Å; K115-Y117 VanDerWaalsContact CD-CZ 3.5Å; K115-Y117 WeakPolarHBondContact CD-OH 3.45Å; K115-Y117 HydrophobicContact CG-CE2 4.12Å; K115-G207 WeakPolarHBondContact O-CA 3.46Å; K115-G207 PolarHBondContact O-N 3.05Å; K115-T208 PolarHBondContact N-O 3.45Å; K115-E413 IonicContact NZ-OE1 2.74Å; K115-E413 PolarHBondContact NZ-OE1 3.48Å
116A97.4Very high97.1Very high22 Ų2240 Ų4018%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-125.3156169.800000110.8E93 L94 N206E93-A116 CarbonylContact C-O 3.58Å; E93-A116 VanDerWaalsContact CA-O 3.25Å; E93-A116 WeakPolarHBondContact CA-O 3.36Å; L94-A116 HydrophobicContact CB-CB 4.24Å; L94-A116 PolarHBondContact N-O 2.93Å; L94-A116 PolarHBondContact O-N 3.04Å; A116-N206 VanDerWaalsContact CA-OD1 3.25Å; A116-N206 WeakPolarHBondContact CA-OD1 3.22Å; A116-N206 WeakPolarHBondContact CB-OD1 3.12Å
117Y98.3Very high97.6Very high20 Ų2041.9 Ų41.98%0.07822%0.222CC..EExtended strand (participates in β ladder)trans-120124.5-174.4-61.5-93.9000110.2E93 K115 W178 N206E93-Y117 HydrophobicContact CG-CD1 4.03Å; E93-Y117 HydrophobicContact CG-CE1 3.98Å; K115-Y117 HydrophobicContact CD-CE1 4.1Å; K115-Y117 HydrophobicContact CD-CE2 4Å; K115-Y117 VanDerWaalsContact CD-CZ 3.5Å; K115-Y117 WeakPolarHBondContact CD-OH 3.45Å; K115-Y117 HydrophobicContact CG-CE2 4.12Å; Y117-W178 HydrophobicContact CD1-CH2 4.15Å; Y117-W178 AromaticContact CD2-CH2 3.51Å; Y117-W178 HydrophobicContact CD2-CH2 3.51Å; Y117-W178 AromaticContact CD2-CZ3 3.8Å; Y117-W178 HydrophobicContact CD2-CZ3 3.8Å; Y117-W178 HydrophobicContact CE2-CH2 4.17Å; Y117-W178 HydrophobicContact CE2-CZ3 4.29Å; Y117-W178 AromaticContact CG-CH2 3.48Å; Y117-W178 HydrophobicContact CG-CH2 3.48Å; Y117-W178 VanDerWaalsContact CG-CH2 3.48Å; Y117-W178 HydrophobicContact CG-CZ2 4.32Å; Y117-W178 HydrophobicContact CG-CZ3 4.25Å; Y117-N206 PolarHBondContact N-OD1 3.26Å
118V98.4Very high97.8Very high52 Ų5239.9 Ų39.932%0.31521%0.21SC..EExtended strand (participates in β ladder)trans-114.8116.9178.1-177.60000108.5Y91 R92 L94Y91-V118 CarbonylContact C-O 3.5Å; Y91-V118 VanDerWaalsContact CA-O 3.3Å; Y91-V118 WeakPolarHBondContact CA-O 3.44Å; R92-V118 PolarHBondContact N-O 2.98Å; R92-V118 PolarHBondContact O-N 2.98Å; L94-V118 HydrophobicContact CD1-CG2 3.8Å; L94-V118 HydrophobicContact CG-CG2 3.99Å
119F98.7Very high97.9Very high57 Ų5745.6 Ų45.625%0.2523%0.234CC..EExtended strand (participates in β ladder)trans-67.9132.8-177.1-179.1-120.2000112.2T90 Y91 R121 S124 G126 P128T90-F119 WeakPolarHBondContact O-CD2 3.34Å; Y91-F119 HydrophobicContact CD1-CB 3.85Å; Y91-F119 HydrophobicContact CD1-CD2 4.33Å; Y91-F119 HydrophobicContact CD2-CD2 4.21Å; Y91-F119 HydrophobicContact CE1-CB 3.56Å; Y91-F119 AromaticContact CE1-CD2 3.94Å; Y91-F119 HydrophobicContact CE1-CD2 3.94Å; Y91-F119 HydrophobicContact CE1-CG 4.14Å; Y91-F119 AromaticContact CE2-CD2 3.81Å; Y91-F119 HydrophobicContact CE2-CD2 3.81Å; Y91-F119 HydrophobicContact CE2-CE2 4.43Å; Y91-F119 HydrophobicContact CG-CD2 4.46Å; Y91-F119 AromaticContact CZ-CD2 3.65Å; F119-R121 HydrophobicContact CD1-CB 4.32Å; F119-R121 HydrophobicContact CE1-CB 3.66Å; F119-R121 HydrophobicContact CE1-CG 4.28Å; F119-R121 HydrophobicContact CZ-CB 4.23Å; F119-S124 WeakPolarHBondContact CE2-OG 3.3Å; F119-G126 WeakPolarHBondContact CZ-O 3.18Å; F119-P128 HydrophobicContact CD1-CG 4.32Å; F119-P128 HydrophobicContact CD2-CG 4.11Å; F119-P128 VanDerWaalsContact CE1-CD 3.45Å; F119-P128 HydrophobicContact CE1-CG 4.07Å; F119-P128 HydrophobicContact CE2-CG 3.85Å; F119-P128 HydrophobicContact CG-CG 4.35Å; F119-P128 HydrophobicContact CZ-CG 3.85Å
120E98.5Very high97.9Very high41 Ų4151.2 Ų51.219%0.19226%0.262CS..  trans-113.394.9177.9-58.8-69.1-178.700109.2Y61 T90 R92 D122 Q123 S124Y61-E120 HydrophobicContact CE1-CG 4.29Å; T90-E120 HydrophobicContact CG2-CB 4.38Å; T90-E120 PolarHBondContact O-N 3.29Å; R92-E120 HydrophobicContact CB-CG 4.02Å; R92-E120 IonicContact CZ-OE1 2.81Å; R92-E120 IonicContact NE-OE1 2.79Å; R92-E120 PolarHBondContact NE-OE1 2.83Å; R92-E120 IonicContact NH2-OE1 3.44Å; E120-D122 PolarHBondContact O-N 2.86Å; E120-Q123 HydrophobicContact CB-CB 4.33Å; E120-Q123 PolarHBondContact O-N 3Å; E120-S124 PolarHBondContact O-N 3Å; E120-S124 PolarHBondContact O-OG 2.85Å
121R98.2Very high97.9Very high121 Ų12151.8 Ų51.846%0.45726%0.262SS..G310 helixtrans-63.9-37.8-172.6176.959.5-169.193-8113F119 Q123 S124 G126F119-R121 HydrophobicContact CD1-CB 4.32Å; F119-R121 HydrophobicContact CE1-CB 3.66Å; F119-R121 HydrophobicContact CE1-CG 4.28Å; F119-R121 HydrophobicContact CZ-CB 4.23Å; R121-Q123 PolarHBondContact O-N 3.07Å; R121-S124 PolarHBondContact NH1-O 3.33Å; R121-S124 PolarHBondContact O-N 3.04Å; R121-G126 WeakPolarHBondContact CD-O 3.37Å; R121-G126 PolarHBondContact NE-O 3.48Å
122D98.3Very high98Very high130 Ų13056.5 Ų56.570%0.69529%0.287SS*.G310 helixtrans-67.3-23.1-178.964.4-38.2000113.2E120E120-D122 PolarHBondContact O-N 2.86Å
123Q98.2Very high98.1Very high84 Ų8456.5 Ų56.539%0.39329%0.286SS..G310 helixtrans-99.811.4176.4-60.6178.543.600112.8T90 E120 R121T90-Q123 WeakPolarHBondContact CB-O 3.39Å; T90-Q123 HydrophobicContact CG2-CB 3.92Å; T90-Q123 PolarHBondContact OG1-O 2.73Å; E120-Q123 HydrophobicContact CB-CB 4.33Å; E120-Q123 PolarHBondContact O-N 3Å; R121-Q123 PolarHBondContact O-N 3.07Å
124S98.8Very high98.2Very high13 Ų1359.4 Ų59.49%0.09129%0.294CS..SBendtrans-121.1150.8-175.2-59.20000111.9P88 T90 F119 E120 R121 G126P88-S124 CarbonylContact O-C 3.55Å; P88-S124 VanDerWaalsContact O-CA 3.28Å; P88-S124 WeakPolarHBondContact O-CA 3.23Å; T90-S124 PolarHBondContact N-OG 3.42Å; F119-S124 WeakPolarHBondContact CE2-OG 3.3Å; E120-S124 PolarHBondContact O-N 3Å; E120-S124 PolarHBondContact O-OG 2.85Å; R121-S124 PolarHBondContact NH1-O 3.33Å; R121-S124 PolarHBondContact O-N 3.04Å; S124-G126 VanDerWaalsContact C-N 3.28Å; S124-G126 PolarHBondContact O-N 2.81Å
125V98.6Very high98.4Very high82 Ų8257.8 Ų57.850%0.49729%0.286SS..SBendtrans-62.3-36.5178.866.90000112.1P88 Y89P88-V125 PolarHBondContact O-N 3.33Å; Y89-V125 HydrophobicContact CE1-CG1 4.07Å; Y89-V125 HydrophobicContact CE2-CG1 4.07Å
126G98.3Very high98.5Very high5 Ų556.1 Ų56.15%0.05228%0.278CS..SBendtrans-158.3-165-175.800000113.5F119 R121 S124 D131F119-G126 WeakPolarHBondContact CZ-O 3.18Å; R121-G126 WeakPolarHBondContact CD-O 3.37Å; R121-G126 PolarHBondContact NE-O 3.48Å; S124-G126 VanDerWaalsContact C-N 3.28Å; S124-G126 PolarHBondContact O-N 2.81Å; G126-D131 WeakPolarHBondContact CA-OD2 3.46Å
127D98.6Very high98.5Very high57 Ų5755.1 Ų55.131%0.30527%0.27SS..  trans-98.3115.2177-177.8-12.5000108.9K129 I130 D131D127-K129 PolarHBondContact O-N 2.94Å; D127-K129 PolarHBondContact OD1-N 3.15Å; D127-I130 HydrophobicContact CB-CB 4.34Å; D127-I130 HydrophobicContact CB-CD1 4.08Å; D127-I130 HydrophobicContact CB-CG1 4.2Å; D127-I130 PolarHBondContact O-N 2.85Å; D127-D131 PolarHBondContact N-OD2 3.27Å; D127-D131 PolarHBondContact O-N 3.15Å
128P98.6Very high98.5Very high2 Ų254.3 Ų54.31%0.01327%0.267CS..THydrogen-bonded Turntrans-63.4-18.2-174.526.7-36000113.4Y89 F119 I130 T172 V173 D174Y89-P128 HydrophobicContact CD1-CB 3.88Å; Y89-P128 HydrophobicContact CD1-CG 4.46Å; Y89-P128 HydrophobicContact CE1-CB 4.25Å; F119-P128 HydrophobicContact CD1-CG 4.32Å; F119-P128 HydrophobicContact CD2-CG 4.11Å; F119-P128 VanDerWaalsContact CE1-CD 3.45Å; F119-P128 HydrophobicContact CE1-CG 4.07Å; F119-P128 HydrophobicContact CE2-CG 3.85Å; F119-P128 HydrophobicContact CG-CG 4.35Å; F119-P128 HydrophobicContact CZ-CG 3.85Å; P128-I130 VanDerWaalsContact C-N 3.29Å; P128-T172 WeakPolarHBondContact O-CB 3.32Å; P128-V173 HydrophobicContact CB-CB 3.76Å; P128-V173 HydrophobicContact CB-CG1 3.72Å; P128-V173 PolarHBondContact O-N 3.24Å; P128-V173 VanDerWaalsContact O-N 3.09Å; P128-D174 HydrophobicContact CB-CB 4.41Å; P128-D174 WeakPolarHBondContact O-CB 3.39Å; P128-D174 PolarHBondContact O-N 3.39Å
129K98.6Very high98.5Very high137 Ų13751.9 Ų51.960%0.59625%0.253SS*.THydrogen-bonded Turntrans-81.5-9.2175.6-68.4-176.7174.5-175.40113.8D127 T172 D174D127-K129 PolarHBondContact O-N 2.94Å; D127-K129 PolarHBondContact OD1-N 3.15Å; K129-T172 WeakPolarHBondContact O-CG2 3.43Å; K129-D174 HydrophobicContact CG-CB 3.74Å
130I98.7Very high98.4Very high117 Ų11749.2 Ų49.260%0.624%0.241SC*.THydrogen-bonded Turntrans-117-43-178.1-57.9177.4000110D127 P128 L132D127-I130 HydrophobicContact CB-CB 4.34Å; D127-I130 HydrophobicContact CB-CD1 4.08Å; D127-I130 HydrophobicContact CB-CG1 4.2Å; D127-I130 PolarHBondContact O-N 2.85Å; P128-I130 VanDerWaalsContact C-N 3.29Å; I130-L132 PolarHBondContact O-N 2.8Å
131D98.7Very high98.3Very high49 Ų4947.7 Ų47.726%0.26223%0.234SC..  trans-68129.4-174.8-62.2-27.5000111.1Y89 G126 D127 T172 V173Y89-D131 HydrophobicContact CE1-CB 4.23Å; Y89-D131 WeakPolarHBondContact CE1-OD2 3.22Å; Y89-D131 WeakPolarHBondContact OH-CB 3.43Å; Y89-D131 PolarHBondContact OH-OD2 2.88Å; G126-D131 WeakPolarHBondContact CA-OD2 3.46Å; D127-D131 PolarHBondContact N-OD2 3.27Å; D127-D131 PolarHBondContact O-N 3.15Å; D131-T172 VanDerWaalsContact O-CA 3.26Å; D131-T172 WeakPolarHBondContact O-CA 3.45Å; D131-V173 PolarHBondContact O-N 2.77Å; D131-V173 VanDerWaalsContact O-N 3.08Å
132L98.8Very high98.2Very high104 Ų10442.5 Ų42.555%0.54522%0.216SC..EExtended strand (participates in β ladder)trans-101136.4-174.2-63.9173000110.9I130 T170 H171 T172I130-L132 PolarHBondContact O-N 2.8Å; L132-T170 HydrophobicContact CB-CG2 3.93Å; L132-T170 HydrophobicContact CD1-CG2 4.43Å; L132-T170 HydrophobicContact CD2-CG2 4.38Å; L132-T170 HydrophobicContact CG-CG2 4.48Å; L132-H171 WeakPolarHBondContact CA-O 3.43Å; L132-T172 HydrophobicContact CD2-CG2 3.84Å
133I98.9Very high98Very high1 Ų136.3 Ų36.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-121129.2171.8-61.5-62.4000108.5F66 N68 V86 T170 H171 V173 L176F66-I133 HydrophobicContact CB-CD1 3.77Å; F66-I133 HydrophobicContact CB-CG1 3.89Å; F66-I133 HydrophobicContact CB-CG2 4.05Å; F66-I133 HydrophobicContact CD1-CG1 4.37Å; F66-I133 HydrophobicContact CD1-CG2 4.05Å; F66-I133 HydrophobicContact CG-CD1 4.43Å; F66-I133 HydrophobicContact CG-CG1 4.04Å; F66-I133 HydrophobicContact CG-CG2 4.34Å; N68-I133 HydrophobicContact CB-CD1 4.23Å; V86-I133 HydrophobicContact CB-CD1 3.78Å; V86-I133 HydrophobicContact CG1-CD1 3.94Å; V86-I133 HydrophobicContact CG2-CD1 3.95Å; I133-T170 WeakPolarHBondContact O-CA 3.46Å; I133-H171 PolarHBondContact N-O 3.37Å; I133-H171 PolarHBondContact O-N 3.19Å; I133-H171 VanDerWaalsContact O-N 3.11Å; I133-V173 HydrophobicContact CD1-CG2 4.38Å; I133-V173 HydrophobicContact CG1-CG2 3.56Å; I133-L176 HydrophobicContact CB-CD1 3.7Å; I133-L176 HydrophobicContact CG1-CD1 4.5Å; I133-L176 HydrophobicContact CG2-CD1 3.84Å
134R98.9Very high97.8Very high82 Ų8232.5 Ų32.531%0.30917%0.165SC..EExtended strand (participates in β ladder)trans-98.7119.8170.9-176.6168.461.4-1721.4109.5N68 V69 T70 V169 T170N68-R134 PolarHBondContact OD1-N 3.19Å; V69-R134 WeakPolarHBondContact CB-O 3.45Å; V69-R134 WeakPolarHBondContact CG2-O 3.45Å; V69-R134 PolarHBondContact N-O 3.36Å; V69-R134 VanDerWaalsContact O-CZ 3.26Å; V69-R134 PolarHBondContact O-NE 3Å; V69-R134 PolarHBondContact O-NH2 2.66Å; T70-R134 PolarHBondContact O-NH2 2.96Å; R134-V169 CarbonylContact C-O 3.6Å; R134-V169 VanDerWaalsContact CA-O 3.26Å; R134-V169 WeakPolarHBondContact CA-O 3.39Å; R134-T170 HydrophobicContact CB-CG2 4.46Å; R134-T170 WeakPolarHBondContact CB-OG1 3.45Å; R134-T170 WeakPolarHBondContact CG-OG1 3.25Å
135T98.7Very high97.6Very high0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-150.7-174.1-179.7-164.60000111F168 V169 L176 V408T135-F168 WeakPolarHBondContact O-CA 3.35Å; T135-V169 PolarHBondContact N-O 2.89Å; T135-V169 PolarHBondContact O-N 2.99Å; T135-L176 HydrophobicContact CG2-CD1 4.25Å; T135-L176 HydrophobicContact CG2-CD2 4.37Å; T135-V408 HydrophobicContact CG2-CG1 4.23Å
136L98.5Very high97.3Very high2 Ų231.7 Ų31.71%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-62.9144.7179.5-70.5173.2000112I138 L141 L167 F168 I387 V389 F406L136-I138 VanDerWaalsContact C-N 3.34Å; L136-I138 PolarHBondContact O-N 2.84Å; L136-L141 HydrophobicContact CB-CD1 3.94Å; L136-L141 HydrophobicContact CD1-CD1 3.99Å; L136-L141 HydrophobicContact CD2-CD1 4.27Å; L136-L141 HydrophobicContact CG-CD1 4.3Å; L136-L167 CarbonylContact C-O 3.51Å; L136-L167 WeakPolarHBondContact CA-O 3.47Å; L136-L167 HydrophobicContact CD2-CD1 4.27Å; L136-L167 HydrophobicContact CD2-CD2 4.31Å; L136-L167 HydrophobicContact CD2-CG 3.91Å; L136-F168 HydrophobicContact CD2-CD1 3.98Å; L136-F168 HydrophobicContact CD2-CE1 3.45Å; L136-F168 VanDerWaalsContact CD2-CE1 3.45Å; L136-F168 HydrophobicContact CD2-CZ 3.76Å; L136-F168 HydrophobicContact CG-CE1 4.05Å; L136-I387 HydrophobicContact CD1-CB 3.88Å; L136-I387 HydrophobicContact CD1-CG2 4.03Å; L136-V389 HydrophobicContact CD1-CB 4.46Å; L136-F406 HydrophobicContact CD1-CB 3.6Å; L136-F406 HydrophobicContact CD1-CD1 3.69Å; L136-F406 HydrophobicContact CD1-CD2 4.3Å; L136-F406 HydrophobicContact CD1-CE1 4.47Å; L136-F406 HydrophobicContact CD1-CG 3.6Å; L136-F406 HydrophobicContact CG-CD1 3.99Å; L136-F406 HydrophobicContact CG-CE1 4.31Å; L136-F406 HydrophobicContact CG-CG 4.23Å
137N98.3Very high97Very high2 Ų231.5 Ų31.51%0.01115%0.15CC..  trans-77.784.7171-168.3-19000109.6P139 V140 L141 K166 L167 V169N137-P139 WeakPolarHBondContact OD1-CD 3.44Å; N137-V140 HydrophobicContact CB-CB 4.19Å; N137-V140 HydrophobicContact CB-CG2 4.47Å; N137-V140 WeakPolarHBondContact ND2-CG2 3.22Å; N137-V140 PolarHBondContact O-N 3.24Å; N137-V140 PolarHBondContact OD1-N 3.29Å; N137-L141 PolarHBondContact O-N 3.47Å; N137-K166 VanDerWaalsContact CB-O 3.24Å; N137-K166 WeakPolarHBondContact CB-O 3.38Å; N137-K166 PolarHBondContact ND2-O 3.04Å; N137-L167 WeakPolarHBondContact CB-O 3.41Å; N137-L167 PolarHBondContact N-O 3.31Å; N137-V169 HydrophobicContact CB-CG1 3.82Å; N137-V169 HydrophobicContact CB-CG2 3.97Å; N137-V169 WeakPolarHBondContact ND2-CG1 3.28Å
138I98.2Very high96.5Very high3 Ų331.6 Ų31.62%0.01515%0.149CC..Hα-helixtrans-60.9-40.6-176.6-56172.5000112.4L136 V140 L141 T142 F199 L201 I387 V408L136-I138 VanDerWaalsContact C-N 3.34Å; L136-I138 PolarHBondContact O-N 2.84Å; I138-V140 PolarHBondContact O-N 3.02Å; I138-L141 PolarHBondContact O-N 2.84Å; I138-T142 WeakPolarHBondContact O-CB 3.39Å; I138-T142 PolarHBondContact O-N 3.04Å; I138-T142 PolarHBondContact O-OG1 3.04Å; I138-F199 HydrophobicContact CB-CE1 3.82Å; I138-F199 HydrophobicContact CB-CE2 4.05Å; I138-F199 HydrophobicContact CB-CZ 3.47Å; I138-F199 VanDerWaalsContact CB-CZ 3.47Å; I138-F199 HydrophobicContact CD1-CE1 4.03Å; I138-F199 HydrophobicContact CD1-CZ 3.7Å; I138-F199 HydrophobicContact CG1-CE1 4.41Å; I138-F199 HydrophobicContact CG1-CZ 4.16Å; I138-F199 HydrophobicContact CG2-CE1 4.25Å; I138-F199 HydrophobicContact CG2-CE2 3.57Å; I138-F199 HydrophobicContact CG2-CZ 3.39Å; I138-L201 HydrophobicContact CD1-CD2 3.91Å; I138-I387 HydrophobicContact CD1-CD1 4.01Å; I138-I387 HydrophobicContact CD1-CG1 4.17Å; I138-I387 HydrophobicContact CG1-CD1 3.94Å; I138-I387 HydrophobicContact CG1-CG1 4Å; I138-I387 HydrophobicContact CG2-CD1 3.95Å; I138-V408 HydrophobicContact CD1-CG1 4.29Å; I138-V408 HydrophobicContact CD1-CG2 4.26Å
139P97.6Very high96Very high1 Ų136.6 Ų36.61%0.00618%0.179CC..Hα-helixtrans-53-50.9172.3-30.436.2000113.3N137 L141 T142 V143 Y180 D182 L185 F199N137-P139 WeakPolarHBondContact OD1-CD 3.44Å; P139-L141 PolarHBondContact O-N 3.45Å; P139-T142 WeakPolarHBondContact O-CB 3.37Å; P139-T142 PolarHBondContact O-N 3.08Å; P139-V143 PolarHBondContact O-N 2.96Å; P139-Y180 VanDerWaalsContact CD-OH 3.31Å; P139-Y180 WeakPolarHBondContact CD-OH 3.47Å; P139-Y180 WeakPolarHBondContact CG-OH 3.4Å; P139-D182 HydrophobicContact CB-CB 4.03Å; P139-D182 VanDerWaalsContact CB-CG 3.44Å; P139-D182 HydrophobicContact CG-CB 4.04Å; P139-L185 HydrophobicContact CB-CD1 3.96Å; P139-L185 HydrophobicContact CB-CG 4.12Å; P139-L185 HydrophobicContact CG-CD1 4.33Å; P139-F199 HydrophobicContact CG-CB 3.65Å; P139-F199 HydrophobicContact CG-CD1 3.75Å; P139-F199 HydrophobicContact CG-CD2 4.23Å; P139-F199 HydrophobicContact CG-CG 3.59Å
140V95.8Very high95.4Very high0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-63.2-44.4-179.8169.40000111.3N137 I138 T142 V143 I144 L160 Q165 I184N137-V140 HydrophobicContact CB-CB 4.19Å; N137-V140 HydrophobicContact CB-CG2 4.47Å; N137-V140 WeakPolarHBondContact ND2-CG2 3.22Å; N137-V140 PolarHBondContact O-N 3.24Å; N137-V140 PolarHBondContact OD1-N 3.29Å; I138-V140 PolarHBondContact O-N 3.02Å; V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.41Å; V140-V143 WeakPolarHBondContact O-CG2 3.44Å; V140-V143 PolarHBondContact O-N 3.24Å; V140-I144 HydrophobicContact CG1-CD1 3.8Å; V140-I144 HydrophobicContact CG1-CG1 4.4Å; V140-I144 WeakPolarHBondContact O-CB 3.25Å; V140-I144 VanDerWaalsContact O-CG1 3.23Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 3.33Å; V140-L160 HydrophobicContact CG1-CD2 3.81Å; V140-L160 HydrophobicContact CG2-CD2 4.14Å; V140-Q165 HydrophobicContact CG2-CB 3.88Å; V140-Q165 HydrophobicContact CG2-CG 4Å; V140-I184 HydrophobicContact CG2-CG1 4.33Å
141L96.9Very high94.7Very high10 Ų1034.7 Ų34.75%0.05217%0.168CC..Hα-helixtrans-62.3-33.9176.2-76.4171.6000112.9L136 N137 I138 P139 E145 L167 P334 I387 V389L136-L141 HydrophobicContact CB-CD1 3.94Å; L136-L141 HydrophobicContact CD1-CD1 3.99Å; L136-L141 HydrophobicContact CD2-CD1 4.27Å; L136-L141 HydrophobicContact CG-CD1 4.3Å; N137-L141 PolarHBondContact O-N 3.47Å; I138-L141 PolarHBondContact O-N 2.84Å; P139-L141 PolarHBondContact O-N 3.45Å; L141-E145 PolarHBondContact O-N 3.5Å; L141-E145 VanDerWaalsContact O-N 3.1Å; L141-L167 HydrophobicContact CD1-CD1 4.13Å; L141-L167 HydrophobicContact CD2-CD1 3.69Å; L141-L167 HydrophobicContact CG-CD1 3.91Å; L141-P334 HydrophobicContact CB-CG 4.17Å; L141-I387 HydrophobicContact CD1-CG2 3.6Å; L141-V389 HydrophobicContact CD2-CG2 4.29Å
142T96.1Very high93.9Very high12 Ų1234.4 Ų34.47%0.07417%0.167CC..Hα-helixtrans-69-47.1177.7-59.20000111.3I138 P139 V140 I144 E145 W146 A333I138-T142 WeakPolarHBondContact O-CB 3.39Å; I138-T142 PolarHBondContact O-N 3.04Å; I138-T142 PolarHBondContact O-OG1 3.04Å; P139-T142 WeakPolarHBondContact O-CB 3.37Å; P139-T142 PolarHBondContact O-N 3.08Å; V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.41Å; T142-I144 VanDerWaalsContact C-N 3.31Å; T142-I144 PolarHBondContact O-N 2.76Å; T142-E145 PolarHBondContact O-N 3.44Å; T142-W146 HydrophobicContact CG2-CD2 4.3Å; T142-W146 HydrophobicContact CG2-CH2 4.42Å; T142-W146 HydrophobicContact CG2-CZ2 3.75Å; T142-W146 PolarHBondContact O-N 2.96Å; T142-A333 HydrophobicContact CG2-CB 3.9Å; T142-A333 WeakPolarHBondContact OG1-CB 3.35Å
143V94.7Very high93.3Very high0 Ų033.4 Ų33.40%016%0.156CC..Hα-helixtrans-68.9-30.4177.9-58.50000112P139 V140 W146 S147 I156 L160 I184 L185 I188P139-V143 PolarHBondContact O-N 2.96Å; V140-V143 WeakPolarHBondContact O-CG2 3.44Å; V140-V143 PolarHBondContact O-N 3.24Å; V143-W146 HydrophobicContact CB-CE3 4.41Å; V143-W146 HydrophobicContact CG1-CE3 3.9Å; V143-W146 HydrophobicContact CG1-CZ3 4.01Å; V143-W146 WeakPolarHBondContact O-CB 3.18Å; V143-W146 PolarHBondContact O-N 2.78Å; V143-S147 WeakPolarHBondContact O-CB 3.12Å; V143-S147 PolarHBondContact O-N 2.81Å; V143-I156 HydrophobicContact CB-CD1 4.11Å; V143-I156 HydrophobicContact CB-CG1 4.42Å; V143-I156 HydrophobicContact CB-CG2 3.94Å; V143-I156 HydrophobicContact CG2-CG2 3.95Å; V143-L160 HydrophobicContact CG2-CD1 4.43Å; V143-I184 HydrophobicContact CG1-CG2 4.43Å; V143-I184 HydrophobicContact CG2-CG2 4.06Å; V143-L185 HydrophobicContact CG1-CD2 3.91Å; V143-I188 HydrophobicContact CB-CD1 4.32Å; V143-I188 HydrophobicContact CG1-CD1 3.61Å
144I94.1Very high92.6Very high3 Ų341.3 Ų41.32%0.01519%0.193CC..Hα-helixtrans-61.5-47.2170.7-73.3172.1000110.4V140 T142 W146 S147 Q148 L160 L392 F395V140-I144 HydrophobicContact CG1-CD1 3.8Å; V140-I144 HydrophobicContact CG1-CG1 4.4Å; V140-I144 WeakPolarHBondContact O-CB 3.25Å; V140-I144 VanDerWaalsContact O-CG1 3.23Å; V140-I144 WeakPolarHBondContact O-CG1 3.45Å; V140-I144 PolarHBondContact O-N 3.33Å; T142-I144 VanDerWaalsContact C-N 3.31Å; T142-I144 PolarHBondContact O-N 2.76Å; I144-W146 PolarHBondContact O-N 2.9Å; I144-S147 WeakPolarHBondContact O-CB 3.35Å; I144-S147 PolarHBondContact O-N 2.92Å; I144-Q148 WeakPolarHBondContact O-CG 3.32Å; I144-Q148 PolarHBondContact O-N 3.5Å; I144-L160 HydrophobicContact CD1-CD1 4.32Å; I144-L160 HydrophobicContact CG1-CD1 3.71Å; I144-L392 HydrophobicContact CG2-CD1 3.42Å; I144-L392 VanDerWaalsContact CG2-CD1 3.42Å; I144-F395 HydrophobicContact CD1-CB 4.28Å; I144-F395 HydrophobicContact CD1-CD1 4.03Å; I144-F395 HydrophobicContact CD1-CG 4.15Å; I144-F395 HydrophobicContact CG1-CD1 3.76Å; I144-F395 HydrophobicContact CG1-CE1 3.92Å; I144-F395 HydrophobicContact CG1-CG 4.15Å; I144-F395 HydrophobicContact CG1-CZ 4.46Å; I144-F395 HydrophobicContact CG2-CD2 4Å; I144-F395 HydrophobicContact CG2-CE2 4.08Å; I144-F395 HydrophobicContact CG2-CG 4.25Å; I144-F395 HydrophobicContact CG2-CZ 4.37Å
145E93.4Very high91.9Very high41 Ų4140.7 Ų40.719%0.19220%0.195CC..Hα-helixtrans-63.5-39.8175.9-78.3-63.1163.700112.2L141 T142 S147 Q148 V149 P334 K390L141-E145 PolarHBondContact O-N 3.5Å; L141-E145 VanDerWaalsContact O-N 3.1Å; T142-E145 PolarHBondContact O-N 3.44Å; E145-S147 VanDerWaalsContact C-N 3.29Å; E145-S147 PolarHBondContact O-N 2.81Å; E145-Q148 WeakPolarHBondContact O-CB 3.37Å; E145-Q148 PolarHBondContact O-N 2.87Å; E145-Q148 VanDerWaalsContact O-N 3.16Å; E145-V149 PolarHBondContact O-N 3.44Å; E145-V149 VanDerWaalsContact O-N 3.11Å; E145-P334 HydrophobicContact CG-CB 3.98Å; E145-P334 HydrophobicContact CG-CG 3.97Å; E145-K390 WeakPolarHBondContact OE1-CE 3.44Å; E145-K390 IonicContact OE1-NZ 3.73Å; E145-K390 PolarHBondContact OE1-NZ 3Å
146W93.4Very high91.3Very high38 Ų3840.7 Ų40.714%0.14420%0.195CC..Hα-helixtrans-57.5-42.5171.8-69.3-6.1000112.5T142 V143 I144 Q148 V149 H150 F151 I156 I195 N331T142-W146 HydrophobicContact CG2-CD2 4.3Å; T142-W146 HydrophobicContact CG2-CH2 4.42Å; T142-W146 HydrophobicContact CG2-CZ2 3.75Å; T142-W146 PolarHBondContact O-N 2.96Å; V143-W146 HydrophobicContact CB-CE3 4.41Å; V143-W146 HydrophobicContact CG1-CE3 3.9Å; V143-W146 HydrophobicContact CG1-CZ3 4.01Å; V143-W146 WeakPolarHBondContact O-CB 3.18Å; V143-W146 PolarHBondContact O-N 2.78Å; I144-W146 PolarHBondContact O-N 2.9Å; W146-Q148 VanDerWaalsContact C-N 3.34Å; W146-Q148 PolarHBondContact O-N 2.84Å; W146-V149 CarbonylContact O-C 3.51Å; W146-V149 VanDerWaalsContact O-CG2 3.24Å; W146-V149 WeakPolarHBondContact O-CG2 3.28Å; W146-V149 PolarHBondContact O-N 3.39Å; W146-H150 PolarHBondContact O-N 2.85Å; W146-F151 CarbonylContact C-O 3.55Å; W146-F151 HydrophobicContact CB-CB 4.2Å; W146-F151 HydrophobicContact CB-CD1 3.95Å; W146-F151 HydrophobicContact CD2-CD1 4.16Å; W146-F151 HydrophobicContact CD2-CE1 4.37Å; W146-F151 HydrophobicContact CE3-CD1 4.05Å; W146-F151 AromaticContact CE3-CE1 3.98Å; W146-F151 HydrophobicContact CE3-CE1 3.98Å; W146-F151 HydrophobicContact CG-CD1 4.16Å; W146-F151 HydrophobicContact CZ3-CE1 4.43Å; W146-F151 WeakPolarHBondContact O-CB 3.39Å; W146-F151 PolarHBondContact O-N 3.43Å; W146-I156 HydrophobicContact CB-CD1 4.22Å; W146-I195 HydrophobicContact CH2-CD1 4.35Å; W146-I195 HydrophobicContact CH2-CG2 4.18Å; W146-I195 HydrophobicContact CZ3-CD1 3.92Å; W146-I195 HydrophobicContact CZ3-CG2 4.24Å; W146-N331 PolarHBondContact NE1-O 2.99Å
147S91.6Very high90.5Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-61.4-41.6175.9-178.70000112V143 I144 E145 V149 H150 R153V143-S147 WeakPolarHBondContact O-CB 3.12Å; V143-S147 PolarHBondContact O-N 2.81Å; I144-S147 WeakPolarHBondContact O-CB 3.35Å; I144-S147 PolarHBondContact O-N 2.92Å; E145-S147 VanDerWaalsContact C-N 3.29Å; E145-S147 PolarHBondContact O-N 2.81Å; S147-V149 VanDerWaalsContact C-N 3.33Å; S147-V149 PolarHBondContact O-N 2.85Å; S147-H150 WeakPolarHBondContact O-CA 3.47Å; S147-H150 PolarHBondContact O-N 2.85Å; S147-R153 WeakPolarHBondContact OG-CG 3.3Å
148Q88.6Confident89.9Confident60 Ų6046.1 Ų46.128%0.2823%0.231SC..Hα-helixtrans-62.4-36.9176.4-66.5-68.6-66.200112.6I144 E145 W146 H150 L392I144-Q148 WeakPolarHBondContact O-CG 3.32Å; I144-Q148 PolarHBondContact O-N 3.5Å; E145-Q148 WeakPolarHBondContact O-CB 3.37Å; E145-Q148 PolarHBondContact O-N 2.87Å; E145-Q148 VanDerWaalsContact O-N 3.16Å; W146-Q148 VanDerWaalsContact C-N 3.34Å; W146-Q148 PolarHBondContact O-N 2.84Å; Q148-H150 PolarHBondContact O-N 3.49Å; Q148-H150 PolarHBondContact O-ND1 2.83Å; Q148-L392 HydrophobicContact CG-CD1 4.47Å
149V87.7Confident89.4Confident106 Ų10647 Ų4764%0.64224%0.235SC*.THydrogen-bonded Turntrans-85.118.1173.5-57.40000113.6E145 W146 S147 F151E145-V149 PolarHBondContact O-N 3.44Å; E145-V149 VanDerWaalsContact O-N 3.11Å; W146-V149 CarbonylContact O-C 3.51Å; W146-V149 VanDerWaalsContact O-CG2 3.24Å; W146-V149 WeakPolarHBondContact O-CG2 3.28Å; W146-V149 PolarHBondContact O-N 3.39Å; S147-V149 VanDerWaalsContact C-N 3.33Å; S147-V149 PolarHBondContact O-N 2.85Å; V149-F151 VanDerWaalsContact C-N 3.25Å; V149-F151 HydrophobicContact CG2-CB 4.46Å; V149-F151 PolarHBondContact O-N 3.39Å
150H86.6Confident88.8Confident143 Ų14347 Ų4766%0.66224%0.235SC*.THydrogen-bonded Turntrans65.719.5174.8-58.952.2000114.7W146 S147 Q148W146-H150 PolarHBondContact O-N 2.85Å; S147-H150 WeakPolarHBondContact O-CA 3.47Å; S147-H150 PolarHBondContact O-N 2.85Å; Q148-H150 PolarHBondContact O-N 3.49Å; Q148-H150 PolarHBondContact O-ND1 2.83Å
151F83.3Confident88.1Confident71 Ų7155.4 Ų55.431%0.31127%0.271SS..SBendtrans-87.1114.3172.2-177.6-95.9000110.4W146 V149 R153 I156 I195W146-F151 CarbonylContact C-O 3.55Å; W146-F151 HydrophobicContact CB-CB 4.2Å; W146-F151 HydrophobicContact CB-CD1 3.95Å; W146-F151 HydrophobicContact CD2-CD1 4.16Å; W146-F151 HydrophobicContact CD2-CE1 4.37Å; W146-F151 HydrophobicContact CE3-CD1 4.05Å; W146-F151 AromaticContact CE3-CE1 3.98Å; W146-F151 HydrophobicContact CE3-CE1 3.98Å; W146-F151 HydrophobicContact CG-CD1 4.16Å; W146-F151 HydrophobicContact CZ3-CE1 4.43Å; W146-F151 WeakPolarHBondContact O-CB 3.39Å; W146-F151 PolarHBondContact O-N 3.43Å; V149-F151 VanDerWaalsContact C-N 3.25Å; V149-F151 HydrophobicContact CG2-CB 4.46Å; V149-F151 PolarHBondContact O-N 3.39Å; F151-R153 PolarHBondContact O-N 2.64Å; F151-I156 WeakPolarHBondContact O-CD1 3.47Å; F151-I195 HydrophobicContact CE1-CD1 3.97Å; F151-I195 HydrophobicContact CZ-CD1 4.13Å
152L81.5Confident87.6Confident44 Ų4458.3 Ų58.323%0.2330%0.297CS..SBendtrans52.625.3180-57.1176.7000115E154 I155 I156 I188 R192 I195L152-E154 PolarHBondContact O-N 2.91Å; L152-I155 HydrophobicContact CD2-CD1 4.26Å; L152-I155 PolarHBondContact O-N 2.8Å; L152-I155 VanDerWaalsContact O-N 3.07Å; L152-I156 HydrophobicContact CB-CD1 3.91Å; L152-I156 HydrophobicContact CB-CG1 4.13Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.6Å; L152-I188 HydrophobicContact CD1-CG2 4.2Å; L152-R192 HydrophobicContact CD1-CG 4.08Å; L152-I195 HydrophobicContact CD1-CD1 4.48Å
153R86.4Confident87.2Confident83 Ų8363 Ų6331%0.31331%0.314SS..Hα-helixtrans-44.6-59-171.9174.7165.8-171.7-1795.4114.3S147 F151 I155 I156 E157 D394S147-R153 WeakPolarHBondContact OG-CG 3.3Å; F151-R153 PolarHBondContact O-N 2.64Å; R153-I155 VanDerWaalsContact C-N 3.28Å; R153-I155 PolarHBondContact O-N 3.39Å; R153-I156 PolarHBondContact O-N 2.77Å; R153-E157 HydrophobicContact CG-CG 4.45Å; R153-E157 VanDerWaalsContact CG-OE1 3.28Å; R153-E157 WeakPolarHBondContact CG-OE1 3.26Å; R153-E157 IonicContact CZ-OE1 2.79Å; R153-E157 IonicContact NE-OE1 3.84Å; R153-E157 PolarHBondContact NE-OE1 3.18Å; R153-E157 IonicContact NH2-OE1 3.15Å; R153-E157 PolarHBondContact NH2-OE1 3.48Å; R153-E157 WeakPolarHBondContact O-CB 3.41Å; R153-E157 WeakPolarHBondContact O-CG 3.5Å; R153-E157 PolarHBondContact O-N 3.23Å; R153-D394 IonicContact NH2-OD2 2.59Å
154E83.7Confident86.8Confident166 Ų16670.7 Ų70.778%0.77635%0.35SS*.Hα-helixtrans-60.5-37.1-176.3-63.7178.7-178.300112.8L152 A158L152-E154 PolarHBondContact O-N 2.91Å; E154-A158 VanDerWaalsContact O-CB 3.24Å; E154-A158 WeakPolarHBondContact O-CB 3.25Å; E154-A158 PolarHBondContact O-N 3.03Å; E154-A158 VanDerWaalsContact O-N 3.11Å
155I84.3Confident86.6Confident69 Ų6971.9 Ų71.935%0.35436%0.356SS..Hα-helixtrans-71.4-46.1-179.8-63.5170.7000109.9L152 R153 A158 M159L152-I155 HydrophobicContact CD2-CD1 4.26Å; L152-I155 PolarHBondContact O-N 2.8Å; L152-I155 VanDerWaalsContact O-N 3.07Å; R153-I155 VanDerWaalsContact C-N 3.28Å; R153-I155 PolarHBondContact O-N 3.39Å; I155-A158 PolarHBondContact O-N 3.47Å; I155-M159 HydrophobicContact CG2-CE 3.58Å; I155-M159 HydrophobicContact CG2-CG 4.42Å; I155-M159 HydrophobicContact CG2-SD 3.97Å; I155-M159 WeakPolarHBondContact O-CB 3.39Å; I155-M159 VanDerWaalsContact O-CG 3.28Å; I155-M159 WeakPolarHBondContact O-CG 3.47Å; I155-M159 PolarHBondContact O-N 3.16Å
156I86.1Confident86.7Confident0 Ų077.1 Ų77.10%038%0.378CS..Hα-helixtrans-63.6-48.5-179.7-67.6169.4000110.4V143 W146 F151 L152 R153 A158 M159 L160 I188V143-I156 HydrophobicContact CB-CD1 4.11Å; V143-I156 HydrophobicContact CB-CG1 4.42Å; V143-I156 HydrophobicContact CB-CG2 3.94Å; V143-I156 HydrophobicContact CG2-CG2 3.95Å; W146-I156 HydrophobicContact CB-CD1 4.22Å; F151-I156 WeakPolarHBondContact O-CD1 3.47Å; L152-I156 HydrophobicContact CB-CD1 3.91Å; L152-I156 HydrophobicContact CB-CG1 4.13Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.6Å; R153-I156 PolarHBondContact O-N 2.77Å; I156-A158 VanDerWaalsContact C-N 3.33Å; I156-A158 PolarHBondContact O-N 3.1Å; I156-M159 PolarHBondContact O-N 3.48Å; I156-L160 HydrophobicContact CG2-CD1 3.77Å; I156-L160 HydrophobicContact CG2-CG 4.28Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 2.8Å; I156-I188 HydrophobicContact CG1-CD1 4.15Å
157E83.3Confident86.8Confident58 Ų5875.4 Ų75.427%0.27137%0.371SS..Hα-helixtrans-59.2-43.1177.6-72.8174.5-176.700111.5R153 K161 F395R153-E157 HydrophobicContact CG-CG 4.45Å; R153-E157 VanDerWaalsContact CG-OE1 3.28Å; R153-E157 WeakPolarHBondContact CG-OE1 3.26Å; R153-E157 IonicContact CZ-OE1 2.79Å; R153-E157 IonicContact NE-OE1 3.84Å; R153-E157 PolarHBondContact NE-OE1 3.18Å; R153-E157 IonicContact NH2-OE1 3.15Å; R153-E157 PolarHBondContact NH2-OE1 3.48Å; R153-E157 WeakPolarHBondContact O-CB 3.41Å; R153-E157 WeakPolarHBondContact O-CG 3.5Å; R153-E157 PolarHBondContact O-N 3.23Å; E157-K161 WeakPolarHBondContact O-CB 3.46Å; E157-K161 PolarHBondContact O-N 3.33Å; E157-F395 HydrophobicContact CG-CE1 3.97Å; E157-F395 HydrophobicContact CG-CZ 3.85Å
158A84.6Confident87.1Confident61 Ų6176.3 Ų76.350%0.50438%0.375SS..Hα-helixtrans-64.9-42.1176.900000112.7E154 I155 I156 A162E154-A158 VanDerWaalsContact O-CB 3.24Å; E154-A158 WeakPolarHBondContact O-CB 3.25Å; E154-A158 PolarHBondContact O-N 3.03Å; E154-A158 VanDerWaalsContact O-N 3.11Å; I155-A158 PolarHBondContact O-N 3.47Å; I156-A158 VanDerWaalsContact C-N 3.33Å; I156-A158 PolarHBondContact O-N 3.1Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.42Å; A158-A162 PolarHBondContact O-N 2.74Å
159M86.8Confident87.6Confident21 Ų2174.6 Ų74.610%0.10337%0.369CS..Hα-helixtrans-66.8-48178.8-74.6-179.6177.700112I155 I156 K161 A162 Y163 I184 L187 I188 F191I155-M159 HydrophobicContact CG2-CE 3.58Å; I155-M159 HydrophobicContact CG2-CG 4.42Å; I155-M159 HydrophobicContact CG2-SD 3.97Å; I155-M159 WeakPolarHBondContact O-CB 3.39Å; I155-M159 VanDerWaalsContact O-CG 3.28Å; I155-M159 WeakPolarHBondContact O-CG 3.47Å; I155-M159 PolarHBondContact O-N 3.16Å; I156-M159 PolarHBondContact O-N 3.48Å; M159-K161 VanDerWaalsContact C-N 3.3Å; M159-K161 PolarHBondContact O-N 2.69Å; M159-A162 PolarHBondContact O-N 2.85Å; M159-Y163 WeakPolarHBondContact O-CD2 3.41Å; M159-Y163 PolarHBondContact O-N 2.95Å; M159-I184 HydrophobicContact CB-CD1 4.33Å; M159-L187 HydrophobicContact CE-CB 3.78Å; M159-L187 HydrophobicContact SD-CB 3.64Å; M159-L187 HydrophobicContact SD-CD1 4.4Å; M159-I188 HydrophobicContact SD-CG1 4.09Å; M159-F191 HydrophobicContact CE-CD2 3.79Å; M159-F191 HydrophobicContact CE-CE2 3.45Å; M159-F191 VanDerWaalsContact CE-CE2 3.45Å
160L85.7Confident88.1Confident1 Ų173 Ų731%0.00536%0.359CS..Hα-helixtrans-58.2-44.9179.4-71.6173.5000111.2V140 V143 I144 I156 A162 Q164 Q165 I184 F395V140-L160 HydrophobicContact CG1-CD2 3.81Å; V140-L160 HydrophobicContact CG2-CD2 4.14Å; V143-L160 HydrophobicContact CG2-CD1 4.43Å; I144-L160 HydrophobicContact CD1-CD1 4.32Å; I144-L160 HydrophobicContact CG1-CD1 3.71Å; I156-L160 HydrophobicContact CG2-CD1 3.77Å; I156-L160 HydrophobicContact CG2-CG 4.28Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 2.8Å; L160-A162 PolarHBondContact O-N 3.38Å; L160-Q164 PolarHBondContact O-N 2.89Å; L160-Q165 HydrophobicContact CD2-CB 4.15Å; L160-Q165 HydrophobicContact CD2-CG 3.93Å; L160-I184 HydrophobicContact CD2-CD1 4.17Å; L160-I184 HydrophobicContact CD2-CG1 4.02Å; L160-F395 HydrophobicContact CD1-CD1 3.84Å; L160-F395 HydrophobicContact CD1-CE1 3.73Å
161K81.2Confident88.7Confident176 Ų17667.9 Ų67.977%0.76534%0.336SS*.Hα-helixtrans-65-37.5177.2-170.8172.9-175.8171.90113.7E157 M159E157-K161 WeakPolarHBondContact O-CB 3.46Å; E157-K161 PolarHBondContact O-N 3.33Å; M159-K161 VanDerWaalsContact C-N 3.3Å; M159-K161 PolarHBondContact O-N 2.69Å
162A86.5Confident89.4Confident72 Ų7265.5 Ų65.560%0.59533%0.327SS*.Hα-helixtrans-74.5-36.3-178.300000112.9A158 M159 L160A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.42Å; A158-A162 PolarHBondContact O-N 2.74Å; M159-A162 PolarHBondContact O-N 2.85Å; L160-A162 PolarHBondContact O-N 3.38Å
163Y87Confident90.3Very high109 Ų10963.4 Ų63.443%0.42732%0.316SS..Hα-helixtrans-101.4-0.6-173.5-70.3-94.6000114.1M159 Q165 E183 L187M159-Y163 WeakPolarHBondContact O-CD2 3.41Å; M159-Y163 PolarHBondContact O-N 2.95Å; Y163-Q165 PolarHBondContact O-N 3.38Å; Y163-E183 HydrophobicContact CD1-CG 4.47Å; Y163-E183 VanDerWaalsContact CD1-OE1 3.31Å; Y163-E183 WeakPolarHBondContact CD1-OE1 3.39Å; Y163-L187 HydrophobicContact CD1-CD1 4.24Å; Y163-L187 HydrophobicContact CD2-CD1 3.7Å; Y163-L187 HydrophobicContact CE1-CD1 4Å; Y163-L187 HydrophobicContact CE2-CD1 3.43Å; Y163-L187 VanDerWaalsContact CE2-CD1 3.43Å; Y163-L187 HydrophobicContact CG-CD1 4.1Å
164Q86.3Confident90.9Very high163 Ų16361.6 Ų61.676%0.76231%0.313SS*.THydrogen-bonded Turntrans53.151169.5-58.8177.8-44.500113.2L160L160-Q164 PolarHBondContact O-N 2.89Å
165Q91.7Very high91.6Very high28 Ų2857 Ų5713%0.13129%0.291CS..  trans-63.8154.5-178.7-65.8-61.8-43.300112.1V140 L160 Y163 E183 I184 E397V140-Q165 HydrophobicContact CG2-CB 3.88Å; V140-Q165 HydrophobicContact CG2-CG 4Å; L160-Q165 HydrophobicContact CD2-CB 4.15Å; L160-Q165 HydrophobicContact CD2-CG 3.93Å; Y163-Q165 PolarHBondContact O-N 3.38Å; Q165-E183 PolarHBondContact NE2-OE2 2.96Å; Q165-I184 HydrophobicContact CG-CD1 3.66Å; Q165-I184 HydrophobicContact CG-CG1 3.54Å; Q165-E397 VanDerWaalsContact O-CG 3.29Å; Q165-E397 WeakPolarHBondContact O-CG 3.41Å
166K94.1Very high92.3Very high150 Ų15053.9 Ų53.965%0.65228%0.275SS*.  trans-105.8143.9176.2-63.6-174.9-179.4-176.30110.7N137N137-K166 VanDerWaalsContact CB-O 3.24Å; N137-K166 WeakPolarHBondContact CB-O 3.38Å; N137-K166 PolarHBondContact ND2-O 3.04Å
167L96.4Very high92.9Very high3 Ų353.9 Ų53.92%0.01628%0.275CS..SBendtrans-70.6-31174.7-173.666.3000112.9L76 L136 N137 L141 E397 I401L76-L167 HydrophobicContact CD2-CB 4.1Å; L76-L167 HydrophobicContact CD2-CD2 3.5Å; L76-L167 VanDerWaalsContact CD2-CD2 3.5Å; L76-L167 HydrophobicContact CD2-CG 4.42Å; L136-L167 CarbonylContact C-O 3.51Å; L136-L167 WeakPolarHBondContact CA-O 3.47Å; L136-L167 HydrophobicContact CD2-CD1 4.27Å; L136-L167 HydrophobicContact CD2-CD2 4.31Å; L136-L167 HydrophobicContact CD2-CG 3.91Å; N137-L167 WeakPolarHBondContact CB-O 3.41Å; N137-L167 PolarHBondContact N-O 3.31Å; L141-L167 HydrophobicContact CD1-CD1 4.13Å; L141-L167 HydrophobicContact CD2-CD1 3.69Å; L141-L167 HydrophobicContact CG-CD1 3.91Å; L167-E397 WeakPolarHBondContact CB-O 3.42Å; L167-I401 HydrophobicContact CD2-CD1 3.68Å
168F98.4Very high93.6Very high19 Ų1953.2 Ų53.28%0.08327%0.27CS..EExtended strand (participates in β ladder)trans-110.2130.4174.5-67.4-77.9000110.1V69 P72 I75 L76 T135 L136 I401 F406V69-F168 HydrophobicContact CG1-CD1 4.3Å; V69-F168 HydrophobicContact CG1-CE1 4.08Å; V69-F168 HydrophobicContact CG2-CD1 4.37Å; V69-F168 HydrophobicContact CG2-CE1 4.16Å; P72-F168 HydrophobicContact CB-CB 3.94Å; P72-F168 HydrophobicContact CB-CD1 4.35Å; P72-F168 HydrophobicContact CB-CD2 3.6Å; P72-F168 HydrophobicContact CB-CE2 4.2Å; P72-F168 HydrophobicContact CB-CG 3.7Å; I75-F168 HydrophobicContact CB-CE2 4.1Å; I75-F168 HydrophobicContact CB-CZ 4.08Å; I75-F168 HydrophobicContact CD1-CE1 4.4Å; I75-F168 HydrophobicContact CD1-CZ 3.9Å; I75-F168 HydrophobicContact CG2-CE2 3.99Å; I75-F168 HydrophobicContact CG2-CZ 3.73Å; L76-F168 HydrophobicContact CD1-CD2 4.44Å; L76-F168 HydrophobicContact CD2-CE2 4.3Å; L76-F168 HydrophobicContact CG-CD2 4.28Å; L76-F168 HydrophobicContact CG-CE2 4.12Å; T135-F168 WeakPolarHBondContact O-CA 3.35Å; L136-F168 HydrophobicContact CD2-CD1 3.98Å; L136-F168 HydrophobicContact CD2-CE1 3.45Å; L136-F168 VanDerWaalsContact CD2-CE1 3.45Å; L136-F168 HydrophobicContact CD2-CZ 3.76Å; L136-F168 HydrophobicContact CG-CE1 4.05Å; F168-I401 HydrophobicContact CZ-CD1 4.41Å; F168-F406 HydrophobicContact CE1-CE1 4.49Å; F168-F406 HydrophobicContact CE1-CE2 4.27Å; F168-F406 AromaticContact CE1-CZ 3.91Å; F168-F406 HydrophobicContact CE1-CZ 3.91Å; F168-F406 HydrophobicContact CZ-CE2 4.33Å; F168-F406 HydrophobicContact CZ-CZ 4.39Å
169V98.1Very high94.2Very high24 Ų2451.3 Ų51.315%0.14526%0.256CS..EExtended strand (participates in β ladder)trans-125.6160.8179.9-70.40000110.1R134 T135 N137R134-V169 CarbonylContact C-O 3.6Å; R134-V169 VanDerWaalsContact CA-O 3.26Å; R134-V169 WeakPolarHBondContact CA-O 3.39Å; T135-V169 PolarHBondContact N-O 2.89Å; T135-V169 PolarHBondContact O-N 2.99Å; N137-V169 HydrophobicContact CB-CG1 3.82Å; N137-V169 HydrophobicContact CB-CG2 3.97Å; N137-V169 WeakPolarHBondContact ND2-CG1 3.28Å
170T98.7Very high94.8Very high72 Ų7250.9 Ų50.944%0.44225%0.254SS..EExtended strand (participates in β ladder)trans-125.9122177.4-55.80000108.4L132 I133 R134L132-T170 HydrophobicContact CB-CG2 3.93Å; L132-T170 HydrophobicContact CD1-CG2 4.43Å; L132-T170 HydrophobicContact CD2-CG2 4.38Å; L132-T170 HydrophobicContact CG-CG2 4.48Å; I133-T170 WeakPolarHBondContact O-CA 3.46Å; R134-T170 HydrophobicContact CB-CG2 4.46Å; R134-T170 WeakPolarHBondContact CB-OG1 3.45Å; R134-T170 WeakPolarHBondContact CG-OG1 3.25Å
171H98.8Very high95.4Very high36 Ų3657 Ų5717%0.16728%0.28CS..EExtended strand (participates in β ladder)trans-135.6163-180-73.5-69.1000109.4L132 I133 E175 L176 Y180L132-H171 WeakPolarHBondContact CA-O 3.43Å; I133-H171 PolarHBondContact N-O 3.37Å; I133-H171 PolarHBondContact O-N 3.19Å; I133-H171 VanDerWaalsContact O-N 3.11Å; H171-E175 HydrophobicContact CB-CB 4.07Å; H171-E175 IonicContact CG-OE2 3.64Å; H171-E175 IonicContact ND1-OE2 3.6Å; H171-L176 HydrophobicContact CB-CD2 3.93Å; H171-L176 HydrophobicContact CB-CG 3.91Å; H171-Y180 AromaticContact CD2-CZ 3.85Å; H171-Y180 AromaticContact CE1-CD2 3.63Å; H171-Y180 AromaticContact CE1-CE2 3.74Å; H171-Y180 AromaticContact NE2-CD2 3.85Å; H171-Y180 AromaticContact NE2-CE2 3.46Å; H171-Y180 WeakPolarHBondContact NE2-CE2 3.23Å; H171-Y180 AromaticContact NE2-CZ 3.68Å
172T98.9Very high96.1Very high20 Ų2049 Ų4912%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-67.9158.1169.262.80000110.6P128 K129 D131 L132 D174 E175 L176P128-T172 WeakPolarHBondContact O-CB 3.32Å; K129-T172 WeakPolarHBondContact O-CG2 3.43Å; D131-T172 VanDerWaalsContact O-CA 3.26Å; D131-T172 WeakPolarHBondContact O-CA 3.45Å; L132-T172 HydrophobicContact CD2-CG2 3.84Å; T172-D174 VanDerWaalsContact C-N 3.27Å; T172-D174 PolarHBondContact O-N 3.47Å; T172-E175 PolarHBondContact N-OE2 3.31Å; T172-E175 PolarHBondContact O-N 3.28Å; T172-E175 WeakPolarHBondContact OG1-CB 3.33Å; T172-E175 WeakPolarHBondContact OG1-CG 3.39Å; T172-E175 PolarHBondContact OG1-N 2.97Å; T172-E175 PolarHBondContact OG1-OE2 2.94Å; T172-L176 PolarHBondContact O-N 2.96Å
173V98.8Very high96.5Very high0 Ų050.3 Ų50.30%024%0.24CC..Hα-helixtrans-61.5-38.1174.7171.30000111.6F66 Y89 P128 D131 I133 E175 L176 L177F66-V173 HydrophobicContact CD2-CG1 4.25Å; F66-V173 HydrophobicContact CD2-CG2 4.34Å; F66-V173 HydrophobicContact CE2-CG1 3.63Å; F66-V173 HydrophobicContact CE2-CG2 4.43Å; F66-V173 HydrophobicContact CZ-CG1 4.23Å; Y89-V173 HydrophobicContact CD1-CG1 4.15Å; Y89-V173 HydrophobicContact CD2-CG1 3.94Å; Y89-V173 HydrophobicContact CD2-CG2 4.32Å; Y89-V173 HydrophobicContact CE1-CB 4.4Å; Y89-V173 HydrophobicContact CE1-CG1 4.38Å; Y89-V173 HydrophobicContact CE1-CG2 4.14Å; Y89-V173 HydrophobicContact CE2-CB 4.48Å; Y89-V173 HydrophobicContact CE2-CG1 4.19Å; Y89-V173 HydrophobicContact CE2-CG2 3.72Å; Y89-V173 HydrophobicContact CG-CG1 3.92Å; P128-V173 HydrophobicContact CB-CB 3.76Å; P128-V173 HydrophobicContact CB-CG1 3.72Å; P128-V173 PolarHBondContact O-N 3.24Å; P128-V173 VanDerWaalsContact O-N 3.09Å; D131-V173 PolarHBondContact O-N 2.77Å; D131-V173 VanDerWaalsContact O-N 3.08Å; I133-V173 HydrophobicContact CD1-CG2 4.38Å; I133-V173 HydrophobicContact CG1-CG2 3.56Å; V173-E175 PolarHBondContact O-N 2.68Å; V173-L176 PolarHBondContact O-N 2.81Å; V173-L177 HydrophobicContact CG1-CD1 3.83Å; V173-L177 HydrophobicContact CG1-CG 4.33Å; V173-L177 WeakPolarHBondContact O-CB 3.28Å; V173-L177 WeakPolarHBondContact O-CG 3.16Å; V173-L177 PolarHBondContact O-N 2.81Å
174D98.8Very high96.8Very high46 Ų4645.1 Ų45.125%0.24622%0.219CC..Hα-helixtrans-60.1-44.6176.4-169.174.6000111.3P128 K129 T172 W178P128-D174 HydrophobicContact CB-CB 4.41Å; P128-D174 WeakPolarHBondContact O-CB 3.39Å; P128-D174 PolarHBondContact O-N 3.39Å; K129-D174 HydrophobicContact CG-CB 3.74Å; T172-D174 VanDerWaalsContact C-N 3.27Å; T172-D174 PolarHBondContact O-N 3.47Å; D174-W178 WeakPolarHBondContact O-CB 3.06Å; D174-W178 PolarHBondContact O-N 3.1Å; D174-W178 VanDerWaalsContact OD1-CD1 3.24Å
175E98.7Very high97.2Very high68 Ų6838 Ų3832%0.31819%0.186SC..Hα-helixtrans-62.6-47.9175-80172.9141.400112.3H171 T172 V173 L177 G179 Y180H171-E175 HydrophobicContact CB-CB 4.07Å; H171-E175 IonicContact CG-OE2 3.64Å; H171-E175 IonicContact ND1-OE2 3.6Å; T172-E175 PolarHBondContact N-OE2 3.31Å; T172-E175 PolarHBondContact O-N 3.28Å; T172-E175 WeakPolarHBondContact OG1-CB 3.33Å; T172-E175 WeakPolarHBondContact OG1-CG 3.39Å; T172-E175 PolarHBondContact OG1-N 2.97Å; T172-E175 PolarHBondContact OG1-OE2 2.94Å; V173-E175 PolarHBondContact O-N 2.68Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.01Å; E175-G179 CarbonylContact O-C 3.5Å; E175-G179 VanDerWaalsContact O-CA 3.3Å; E175-G179 WeakPolarHBondContact O-CA 3.43Å; E175-G179 PolarHBondContact O-N 3.44Å; E175-Y180 HydrophobicContact CB-CD1 4.28Å; E175-Y180 HydrophobicContact CB-CG 4.45Å
176L98.8Very high97.4Very high5 Ų537.8 Ų37.83%0.02619%0.188CC..Hα-helixtrans-64.5-37.1-179.5-69.6177000112.6F66 I133 T135 H171 T172 V173 Y180 G200 L201F66-L176 HydrophobicContact CD1-CD1 4.17Å; F66-L176 HydrophobicContact CE1-CB 4.03Å; F66-L176 HydrophobicContact CE1-CD1 3.91Å; F66-L176 HydrophobicContact CZ-CB 4.33Å; I133-L176 HydrophobicContact CB-CD1 3.7Å; I133-L176 HydrophobicContact CG1-CD1 4.5Å; I133-L176 HydrophobicContact CG2-CD1 3.84Å; T135-L176 HydrophobicContact CG2-CD1 4.25Å; T135-L176 HydrophobicContact CG2-CD2 4.37Å; H171-L176 HydrophobicContact CB-CD2 3.93Å; H171-L176 HydrophobicContact CB-CG 3.91Å; T172-L176 PolarHBondContact O-N 2.96Å; V173-L176 PolarHBondContact O-N 2.81Å; L176-Y180 HydrophobicContact CD2-CE1 4.26Å; L176-G200 WeakPolarHBondContact O-CA 3.25Å; L176-L201 WeakPolarHBondContact O-CG 3.18Å; L176-L201 PolarHBondContact O-N 2.96Å
177L98.6Very high97.3Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-77.3-58.6177.7-72.1175.1000111.5F64 F66 Y91 V173 E175 L201 F202 Y203 M409F64-L177 HydrophobicContact CB-CD1 4.47Å; F64-L177 HydrophobicContact CD1-CD2 3.74Å; F64-L177 HydrophobicContact CD2-CD1 3.68Å; F64-L177 HydrophobicContact CD2-CD2 4.22Å; F64-L177 HydrophobicContact CE1-CD2 3.85Å; F64-L177 HydrophobicContact CE2-CD1 3.99Å; F64-L177 HydrophobicContact CE2-CD2 4.32Å; F64-L177 HydrophobicContact CG-CD1 4.03Å; F64-L177 HydrophobicContact CG-CD2 3.93Å; F64-L177 HydrophobicContact CZ-CD2 4.13Å; F66-L177 HydrophobicContact CE2-CD1 4.39Å; F66-L177 HydrophobicContact CE2-CD2 4.25Å; F66-L177 HydrophobicContact CE2-CG 4.22Å; F66-L177 HydrophobicContact CZ-CD1 4.48Å; F66-L177 HydrophobicContact CZ-CD2 3.76Å; F66-L177 HydrophobicContact CZ-CG 3.83Å; Y91-L177 HydrophobicContact CE2-CD1 4.05Å; V173-L177 HydrophobicContact CG1-CD1 3.83Å; V173-L177 HydrophobicContact CG1-CG 4.33Å; V173-L177 WeakPolarHBondContact O-CB 3.28Å; V173-L177 WeakPolarHBondContact O-CG 3.16Å; V173-L177 PolarHBondContact O-N 2.81Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.01Å; L177-L201 PolarHBondContact O-N 3.19Å; L177-F202 HydrophobicContact CD2-CD2 4.26Å; L177-F202 CarbonylContact O-C 3.45Å; L177-F202 VanDerWaalsContact O-CA 3.22Å; L177-F202 WeakPolarHBondContact O-CA 3.32Å; L177-F202 WeakPolarHBondContact O-CB 3.47Å; L177-F202 PolarHBondContact O-N 3.06Å; L177-Y203 PolarHBondContact O-N 3.41Å; L177-M409 HydrophobicContact CD2-CE 4.39Å; L177-M409 HydrophobicContact CD2-SD 3.88Å
178W98.4Very high97Very high43 Ų4332.4 Ų32.416%0.16317%0.167CC..Hα-helixtrans-98.4-14.2-163.2-52.7113.9000114Y91 Y117 D174 F202 Y203 N206Y91-W178 AromaticContact CD1-CZ2 3.87Å; Y91-W178 HydrophobicContact CD1-CZ2 3.87Å; Y91-W178 AromaticContact CE1-CE2 3.94Å; Y91-W178 AromaticContact CE1-CZ2 3.57Å; Y91-W178 HydrophobicContact CE1-CZ2 3.57Å; Y91-W178 AromaticContact CE1-NE1 3.77Å; Y91-W178 HydrophobicContact CE2-CZ2 4.34Å; Y91-W178 HydrophobicContact CG-CZ2 4.37Å; Y91-W178 AromaticContact CZ-CZ2 3.84Å; Y91-W178 AromaticContact CZ-NE1 3.62Å; Y91-W178 PolarHBondContact OH-NE1 3.32Å; Y117-W178 HydrophobicContact CD1-CH2 4.15Å; Y117-W178 AromaticContact CD2-CH2 3.51Å; Y117-W178 HydrophobicContact CD2-CH2 3.51Å; Y117-W178 AromaticContact CD2-CZ3 3.8Å; Y117-W178 HydrophobicContact CD2-CZ3 3.8Å; Y117-W178 HydrophobicContact CE2-CH2 4.17Å; Y117-W178 HydrophobicContact CE2-CZ3 4.29Å; Y117-W178 AromaticContact CG-CH2 3.48Å; Y117-W178 HydrophobicContact CG-CH2 3.48Å; Y117-W178 VanDerWaalsContact CG-CH2 3.48Å; Y117-W178 HydrophobicContact CG-CZ2 4.32Å; Y117-W178 HydrophobicContact CG-CZ3 4.25Å; D174-W178 WeakPolarHBondContact O-CB 3.06Å; D174-W178 PolarHBondContact O-N 3.1Å; D174-W178 VanDerWaalsContact OD1-CD1 3.24Å; W178-F202 HydrophobicContact CE3-CB 4.08Å; W178-F202 HydrophobicContact CH2-CB 4.48Å; W178-F202 HydrophobicContact CZ3-CB 3.79Å; W178-Y203 WeakPolarHBondContact O-CD2 3.49Å; W178-N206 HydrophobicContact CE3-CB 4.22Å; W178-N206 HydrophobicContact CZ3-CB 4.09Å
179G98.1Very high96.8Very high21 Ų2134.8 Ų34.822%0.21618%0.178CC..  trans130.8139.6173.200000113.7E175 F199E175-G179 CarbonylContact O-C 3.5Å; E175-G179 VanDerWaalsContact O-CA 3.3Å; E175-G179 WeakPolarHBondContact O-CA 3.43Å; E175-G179 PolarHBondContact O-N 3.44Å; G179-F199 CarbonylContact C-O 3.59Å; G179-F199 VanDerWaalsContact CA-O 3.25Å; G179-F199 WeakPolarHBondContact CA-O 2.8Å
180Y98.4Very high96.5Very high13 Ų1338.9 Ų38.95%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-132.5159.1162.166.8-84.8000110.1P139 H171 E175 L176 D182 Y198 F199P139-Y180 VanDerWaalsContact CD-OH 3.31Å; P139-Y180 WeakPolarHBondContact CD-OH 3.47Å; P139-Y180 WeakPolarHBondContact CG-OH 3.4Å; H171-Y180 AromaticContact CD2-CZ 3.85Å; H171-Y180 AromaticContact CE1-CD2 3.63Å; H171-Y180 AromaticContact CE1-CE2 3.74Å; H171-Y180 AromaticContact NE2-CD2 3.85Å; H171-Y180 AromaticContact NE2-CE2 3.46Å; H171-Y180 WeakPolarHBondContact NE2-CE2 3.23Å; H171-Y180 AromaticContact NE2-CZ 3.68Å; E175-Y180 HydrophobicContact CB-CD1 4.28Å; E175-Y180 HydrophobicContact CB-CG 4.45Å; L176-Y180 HydrophobicContact CD2-CE1 4.26Å; Y180-D182 HydrophobicContact CE2-CB 4.2Å; Y180-Y198 CarbonylContact O-C 3.6Å; Y180-Y198 VanDerWaalsContact O-CA 3.26Å; Y180-Y198 WeakPolarHBondContact O-CA 3.48Å; Y180-F199 WeakPolarHBondContact CD1-O 3.45Å; Y180-F199 AromaticContact CE1-CD1 3.65Å; Y180-F199 HydrophobicContact CE1-CD1 3.65Å; Y180-F199 HydrophobicContact CE1-CE1 4.36Å; Y180-F199 AromaticContact CZ-CD1 3.97Å; Y180-F199 PolarHBondContact N-O 3.37Å; Y180-F199 PolarHBondContact O-N 3.13Å
181K97.9Very high96Very high129 Ų12941.8 Ų41.856%0.56121%0.209SC*.EExtended strand (participates in β ladder)trans-81.9119.7177.5-167.7176.3-178.7-176.70109.3S186 Y198K181-S186 WeakPolarHBondContact CE-OG 3.34Å; K181-S186 WeakPolarHBondContact CG-OG 3.4Å; K181-Y198 HydrophobicContact CB-CD1 3.88Å; K181-Y198 HydrophobicContact CB-CE1 3.65Å; K181-Y198 HydrophobicContact CD-CE1 4.44Å; K181-Y198 HydrophobicContact CG-CD1 4.43Å; K181-Y198 HydrophobicContact CG-CE1 4.12Å
182D97.4Very high95.6Very high9 Ų944 Ų445%0.04822%0.216CC..  trans-93.7140.9177.5178.2-96000110.9P139 Y180 I184 L185 S186 P197P139-D182 HydrophobicContact CB-CB 4.03Å; P139-D182 VanDerWaalsContact CB-CG 3.44Å; P139-D182 HydrophobicContact CG-CB 4.04Å; Y180-D182 HydrophobicContact CE2-CB 4.2Å; D182-I184 WeakPolarHBondContact OD1-CA 3.24Å; D182-I184 WeakPolarHBondContact OD1-CB 3.44Å; D182-I184 PolarHBondContact OD1-N 2.91Å; D182-L185 HydrophobicContact CB-CB 4.04Å; D182-L185 HydrophobicContact CB-CD1 3.99Å; D182-L185 HydrophobicContact CB-CG 4Å; D182-L185 PolarHBondContact OD1-N 2.82Å; D182-S186 WeakPolarHBondContact O-CB 3.19Å; D182-S186 PolarHBondContact O-N 2.83Å; D182-S186 PolarHBondContact O-OG 2.81Å; D182-P197 PolarHBondContact N-O 3.13Å
183E94.2Very high95.3Very high98 Ų9847.5 Ų47.546%0.45824%0.239SC..Hα-helixtrans-67.3-44.1-176.5-173.4174.7-155.800112Y163 Q165 S186 L187Y163-E183 HydrophobicContact CD1-CG 4.47Å; Y163-E183 VanDerWaalsContact CD1-OE1 3.31Å; Y163-E183 WeakPolarHBondContact CD1-OE1 3.39Å; Q165-E183 PolarHBondContact NE2-OE2 2.96Å; E183-S186 WeakPolarHBondContact O-CB 3.49Å; E183-S186 PolarHBondContact O-N 2.99Å; E183-L187 WeakPolarHBondContact O-CG 3.1Å; E183-L187 PolarHBondContact O-N 3.06Å
184I93.6Very high94.9Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-72-44-178.5-60.5-59.7000110.9V140 V143 M159 L160 Q165 D182 S186 L187 I188V140-I184 HydrophobicContact CG2-CG1 4.33Å; V143-I184 HydrophobicContact CG1-CG2 4.43Å; V143-I184 HydrophobicContact CG2-CG2 4.06Å; M159-I184 HydrophobicContact CB-CD1 4.33Å; L160-I184 HydrophobicContact CD2-CD1 4.17Å; L160-I184 HydrophobicContact CD2-CG1 4.02Å; Q165-I184 HydrophobicContact CG-CD1 3.66Å; Q165-I184 HydrophobicContact CG-CG1 3.54Å; D182-I184 WeakPolarHBondContact OD1-CA 3.24Å; D182-I184 WeakPolarHBondContact OD1-CB 3.44Å; D182-I184 PolarHBondContact OD1-N 2.91Å; I184-S186 PolarHBondContact O-N 3.49Å; I184-L187 HydrophobicContact CD1-CD1 4.39Å; I184-L187 PolarHBondContact O-N 2.79Å; I184-L187 VanDerWaalsContact O-N 3.14Å; I184-I188 HydrophobicContact CG2-CD1 3.9Å; I184-I188 HydrophobicContact CG2-CG1 4.44Å; I184-I188 WeakPolarHBondContact O-CG1 3.29Å; I184-I188 PolarHBondContact O-N 3.01Å
185L95.1Very high94.6Very high13 Ų1351.4 Ų51.47%0.06826%0.26CS..Hα-helixtrans-61.1-36.9174.2-62.7-178.3000111.2P139 V143 D182 L187 I188 H189 I195 F199P139-L185 HydrophobicContact CB-CD1 3.96Å; P139-L185 HydrophobicContact CB-CG 4.12Å; P139-L185 HydrophobicContact CG-CD1 4.33Å; V143-L185 HydrophobicContact CG1-CD2 3.91Å; D182-L185 HydrophobicContact CB-CB 4.04Å; D182-L185 HydrophobicContact CB-CD1 3.99Å; D182-L185 HydrophobicContact CB-CG 4Å; D182-L185 PolarHBondContact OD1-N 2.82Å; L185-L187 PolarHBondContact O-N 2.78Å; L185-I188 PolarHBondContact O-N 3.02Å; L185-H189 VanDerWaalsContact O-CB 3.26Å; L185-H189 WeakPolarHBondContact O-CB 3.37Å; L185-H189 PolarHBondContact O-N 2.83Å; L185-I195 HydrophobicContact CD2-CG2 4.34Å; L185-F199 HydrophobicContact CD1-CB 3.93Å
186S95.1Very high94.5Very high25 Ų2550.3 Ų50.318%0.17526%0.26CS..Hα-helixtrans-62.4-40.2174.2-650000113.1K181 D182 E183 I184 V190K181-S186 WeakPolarHBondContact CE-OG 3.34Å; K181-S186 WeakPolarHBondContact CG-OG 3.4Å; D182-S186 WeakPolarHBondContact O-CB 3.19Å; D182-S186 PolarHBondContact O-N 2.83Å; D182-S186 PolarHBondContact O-OG 2.81Å; E183-S186 WeakPolarHBondContact O-CB 3.49Å; E183-S186 PolarHBondContact O-N 2.99Å; I184-S186 PolarHBondContact O-N 3.49Å; S186-V190 PolarHBondContact O-N 3.1Å
187L92.3Very high94.4Very high38 Ų3850.9 Ų50.920%0.19926%0.264CS..Hα-helixtrans-69.4-42176.7-68.9168.4000111.6M159 Y163 E183 I184 L185 H189 V190 F191M159-L187 HydrophobicContact CE-CB 3.78Å; M159-L187 HydrophobicContact SD-CB 3.64Å; M159-L187 HydrophobicContact SD-CD1 4.4Å; Y163-L187 HydrophobicContact CD1-CD1 4.24Å; Y163-L187 HydrophobicContact CD2-CD1 3.7Å; Y163-L187 HydrophobicContact CE1-CD1 4Å; Y163-L187 HydrophobicContact CE2-CD1 3.43Å; Y163-L187 VanDerWaalsContact CE2-CD1 3.43Å; Y163-L187 HydrophobicContact CG-CD1 4.1Å; E183-L187 WeakPolarHBondContact O-CG 3.1Å; E183-L187 PolarHBondContact O-N 3.06Å; I184-L187 HydrophobicContact CD1-CD1 4.39Å; I184-L187 PolarHBondContact O-N 2.79Å; I184-L187 VanDerWaalsContact O-N 3.14Å; L185-L187 PolarHBondContact O-N 2.78Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.36Å; L187-V190 WeakPolarHBondContact O-CB 3.44Å; L187-V190 PolarHBondContact O-N 2.96Å; L187-F191 VanDerWaalsContact O-CD2 3.29Å; L187-F191 WeakPolarHBondContact O-CD2 3.46Å
188I90.6Very high94.4Very high2 Ų255.8 Ų55.81%0.0128%0.283CS..Hα-helixtrans-63-41.5175.8-68.1170000110.4V143 L152 I156 M159 I184 L185 V190 F191 R192 I195V143-I188 HydrophobicContact CB-CD1 4.32Å; V143-I188 HydrophobicContact CG1-CD1 3.61Å; L152-I188 HydrophobicContact CD1-CG2 4.2Å; I156-I188 HydrophobicContact CG1-CD1 4.15Å; M159-I188 HydrophobicContact SD-CG1 4.09Å; I184-I188 HydrophobicContact CG2-CD1 3.9Å; I184-I188 HydrophobicContact CG2-CG1 4.44Å; I184-I188 WeakPolarHBondContact O-CG1 3.29Å; I184-I188 PolarHBondContact O-N 3.01Å; L185-I188 PolarHBondContact O-N 3.02Å; I188-V190 PolarHBondContact O-N 3.42Å; I188-F191 PolarHBondContact O-N 3.38Å; I188-R192 HydrophobicContact CG2-CB 4.36Å; I188-R192 PolarHBondContact O-N 2.92Å; I188-I195 HydrophobicContact CG2-CB 4.28Å; I188-I195 HydrophobicContact CG2-CD1 3.53Å; I188-I195 HydrophobicContact CG2-CG1 4.49Å; I188-I195 HydrophobicContact CG2-CG2 4.19Å
189H93.9Very high94.4Very high68 Ų6855.2 Ų55.232%0.31528%0.282SS..Hα-helixtrans-56-33.5179.3-178.772.5000113L185 L187 F191 R192 P193 I195 P197L185-H189 VanDerWaalsContact O-CB 3.26Å; L185-H189 WeakPolarHBondContact O-CB 3.37Å; L185-H189 PolarHBondContact O-N 2.83Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.36Å; H189-F191 VanDerWaalsContact C-N 3.25Å; H189-F191 PolarHBondContact O-N 3.05Å; H189-R192 WeakPolarHBondContact CA-O 3.17Å; H189-R192 CarbonylContact O-C 3.39Å; H189-R192 VanDerWaalsContact O-C 3.28Å; H189-R192 PolarHBondContact O-N 2.68Å; H189-P193 PolarHBondContact CE1-O 2.69Å; H189-P193 PolarHBondContact ND1-O 3.08Å; H189-P193 WeakPolarHBondContact O-CA 3.15Å; H189-I195 PolarHBondContact ND1-O 2.96Å; H189-P197 HydrophobicContact CB-CB 4.14Å
190V91.8Very high94.3Very high110 Ų11054.8 Ų54.867%0.66728%0.277SS*.Hα-helixtrans-60.6-35.5175.7175.50000111.9S186 L187 I188S186-V190 PolarHBondContact O-N 3.1Å; L187-V190 WeakPolarHBondContact O-CB 3.44Å; L187-V190 PolarHBondContact O-N 2.96Å; I188-V190 PolarHBondContact O-N 3.42Å
191F88.3Confident94.3Very high134 Ų13455.4 Ų55.459%0.58828%0.281SS*.Hα-helixtrans-93.7-28.4179.1-59.9-79.8000112.9M159 L187 I188 H189M159-F191 HydrophobicContact CE-CD2 3.79Å; M159-F191 HydrophobicContact CE-CE2 3.45Å; M159-F191 VanDerWaalsContact CE-CE2 3.45Å; L187-F191 VanDerWaalsContact O-CD2 3.29Å; L187-F191 WeakPolarHBondContact O-CD2 3.46Å; I188-F191 PolarHBondContact O-N 3.38Å; H189-F191 VanDerWaalsContact C-N 3.25Å; H189-F191 PolarHBondContact O-N 3.05Å
192R89.8Confident94.3Very high82 Ų8249.7 Ų49.731%0.30926%0.257SS..  trans-133.383.6-177.6-74.6-65.3-60.8-85.4-4.2110.1L152 I188 H189 D194 I195L152-R192 HydrophobicContact CD1-CG 4.08Å; I188-R192 HydrophobicContact CG2-CB 4.36Å; I188-R192 PolarHBondContact O-N 2.92Å; H189-R192 WeakPolarHBondContact CA-O 3.17Å; H189-R192 CarbonylContact O-C 3.39Å; H189-R192 VanDerWaalsContact O-C 3.28Å; H189-R192 PolarHBondContact O-N 2.68Å; R192-D194 WeakPolarHBondContact CB-OD1 3.39Å; R192-D194 IonicContact CZ-OD1 3.33Å; R192-D194 IonicContact CZ-OD2 2.88Å; R192-D194 IonicContact NE-OD1 2.77Å; R192-D194 PolarHBondContact NE-OD1 2.59Å; R192-D194 IonicContact NE-OD2 2.77Å; R192-D194 IonicContact NH2-OD1 3.65Å; R192-D194 IonicContact NH2-OD2 3.42Å; R192-D194 PolarHBondContact NH2-OD2 3.16Å; R192-D194 PolarHBondContact O-N 3.06Å; R192-I195 HydrophobicContact CB-CD1 3.95Å; R192-I195 HydrophobicContact CB-CG1 4.33Å; R192-I195 PolarHBondContact O-N 2.79Å
193P92.4Very high94.2Very high94 Ų9452.4 Ų52.461%0.6127%0.267SS*.THydrogen-bonded Turntrans-61.3-16.5-176.1-25.735.7000114.7H189 I195H189-P193 PolarHBondContact CE1-O 2.69Å; H189-P193 PolarHBondContact ND1-O 3.08Å; H189-P193 WeakPolarHBondContact O-CA 3.15Å; P193-I195 VanDerWaalsContact C-N 3.29Å
194D91.9Very high94.3Very high108 Ų10853.9 Ų53.958%0.57827%0.273SS*.THydrogen-bonded Turntrans-70.8-21.5174.657.7-64.1000113.6R192R192-D194 WeakPolarHBondContact CB-OD1 3.39Å; R192-D194 IonicContact CZ-OD1 3.33Å; R192-D194 IonicContact CZ-OD2 2.88Å; R192-D194 IonicContact NE-OD1 2.77Å; R192-D194 PolarHBondContact NE-OD1 2.59Å; R192-D194 IonicContact NE-OD2 2.77Å; R192-D194 IonicContact NH2-OD1 3.65Å; R192-D194 IonicContact NH2-OD2 3.42Å; R192-D194 PolarHBondContact NH2-OD2 3.16Å; R192-D194 PolarHBondContact O-N 3.06Å
195I92.2Very high94.3Very high19 Ų1957 Ų5710%0.09729%0.287CS..SBendtrans-88.6120.1175.9-64171000108.3W146 F151 L152 L185 I188 H189 R192 P193W146-I195 HydrophobicContact CH2-CD1 4.35Å; W146-I195 HydrophobicContact CH2-CG2 4.18Å; W146-I195 HydrophobicContact CZ3-CD1 3.92Å; W146-I195 HydrophobicContact CZ3-CG2 4.24Å; F151-I195 HydrophobicContact CE1-CD1 3.97Å; F151-I195 HydrophobicContact CZ-CD1 4.13Å; L152-I195 HydrophobicContact CD1-CD1 4.48Å; L185-I195 HydrophobicContact CD2-CG2 4.34Å; I188-I195 HydrophobicContact CG2-CB 4.28Å; I188-I195 HydrophobicContact CG2-CD1 3.53Å; I188-I195 HydrophobicContact CG2-CG1 4.49Å; I188-I195 HydrophobicContact CG2-CG2 4.19Å; H189-I195 PolarHBondContact ND1-O 2.96Å; R192-I195 HydrophobicContact CB-CD1 3.95Å; R192-I195 HydrophobicContact CB-CG1 4.33Å; R192-I195 PolarHBondContact O-N 2.79Å; P193-I195 VanDerWaalsContact C-N 3.29Å
196S95.9Very high94.3Very high45 Ų4560.3 Ų60.332%0.31531%0.305SS..  trans-64138.3177.9-177.70000111.2Y198S196-Y198 PolarHBondContact O-N 3.14Å; S196-Y198 PolarHBondContact OG-N 3.36Å
197P97Very high94.2Very high17 Ų1761.5 Ų61.511%0.1132%0.321CS..SBendtrans-76.6-4172.333.7-35.8000113.1D182 H189D182-P197 PolarHBondContact N-O 3.13Å; H189-P197 HydrophobicContact CB-CB 4.14Å
198Y97.7Very high94.3Very high103 Ų10362.3 Ų62.340%0.40433%0.328SS..EExtended strand (participates in β ladder)trans-106.5145.1-180-63.2-88.8000111.3Y180 K181 S196 Y203Y180-Y198 CarbonylContact O-C 3.6Å; Y180-Y198 VanDerWaalsContact O-CA 3.26Å; Y180-Y198 WeakPolarHBondContact O-CA 3.48Å; K181-Y198 HydrophobicContact CB-CD1 3.88Å; K181-Y198 HydrophobicContact CB-CE1 3.65Å; K181-Y198 HydrophobicContact CD-CE1 4.44Å; K181-Y198 HydrophobicContact CG-CD1 4.43Å; K181-Y198 HydrophobicContact CG-CE1 4.12Å; S196-Y198 PolarHBondContact O-N 3.14Å; S196-Y198 PolarHBondContact OG-N 3.36Å; Y198-Y203 VanDerWaalsContact CB-CE2 3.46Å; Y198-Y203 HydrophobicContact CG-CE2 4.04Å
199F98Very high94.6Very high32 Ų3265.5 Ų65.514%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-131.3140.6172.5170.7-91.2000110.5I138 P139 G179 Y180 L185 L201I138-F199 HydrophobicContact CB-CE1 3.82Å; I138-F199 HydrophobicContact CB-CE2 4.05Å; I138-F199 HydrophobicContact CB-CZ 3.47Å; I138-F199 VanDerWaalsContact CB-CZ 3.47Å; I138-F199 HydrophobicContact CD1-CE1 4.03Å; I138-F199 HydrophobicContact CD1-CZ 3.7Å; I138-F199 HydrophobicContact CG1-CE1 4.41Å; I138-F199 HydrophobicContact CG1-CZ 4.16Å; I138-F199 HydrophobicContact CG2-CE1 4.25Å; I138-F199 HydrophobicContact CG2-CE2 3.57Å; I138-F199 HydrophobicContact CG2-CZ 3.39Å; P139-F199 HydrophobicContact CG-CB 3.65Å; P139-F199 HydrophobicContact CG-CD1 3.75Å; P139-F199 HydrophobicContact CG-CD2 4.23Å; P139-F199 HydrophobicContact CG-CG 3.59Å; G179-F199 CarbonylContact C-O 3.59Å; G179-F199 VanDerWaalsContact CA-O 3.25Å; G179-F199 WeakPolarHBondContact CA-O 2.8Å; Y180-F199 WeakPolarHBondContact CD1-O 3.45Å; Y180-F199 AromaticContact CE1-CD1 3.65Å; Y180-F199 HydrophobicContact CE1-CD1 3.65Å; Y180-F199 HydrophobicContact CE1-CE1 4.36Å; Y180-F199 AromaticContact CZ-CD1 3.97Å; Y180-F199 PolarHBondContact N-O 3.37Å; Y180-F199 PolarHBondContact O-N 3.13Å; L185-F199 HydrophobicContact CD1-CB 3.93Å; F199-L201 HydrophobicContact CZ-CD2 4.26Å
200G97.7Very high94.5Very high12 Ų1264.5 Ų64.512%0.12434%0.342CS..  trans-166.4150.9169.400000109.6L176 F202 Y203L176-G200 WeakPolarHBondContact O-CA 3.25Å; G200-F202 PolarHBondContact O-N 3.13Å; G200-Y203 WeakPolarHBondContact O-CB 3.31Å; G200-Y203 PolarHBondContact O-N 3.26Å
201L97.4Very high94.7Very high25 Ų2559.8 Ų59.813%0.13132%0.315CS..THydrogen-bonded Turntrans-61.4-32.1-177.2-64.9170.6000112F66 I138 L176 L177 F199 I385 V408 M409F66-L201 HydrophobicContact CE1-CD1 4.05Å; F66-L201 HydrophobicContact CZ-CD1 4.46Å; I138-L201 HydrophobicContact CD1-CD2 3.91Å; L176-L201 WeakPolarHBondContact O-CG 3.18Å; L176-L201 PolarHBondContact O-N 2.96Å; L177-L201 PolarHBondContact O-N 3.19Å; F199-L201 HydrophobicContact CZ-CD2 4.26Å; L201-I385 HydrophobicContact CD2-CD1 4.34Å; L201-I385 HydrophobicContact CD2-CG2 4.26Å; L201-V408 HydrophobicContact CD1-CG1 4.15Å; L201-M409 HydrophobicContact CD1-CE 4.45Å; L201-M409 HydrophobicContact CD1-CG 3.83Å; L201-M409 HydrophobicContact CD1-SD 3.45Å; L201-M409 WeakPolarHBondContact CD1-SD 3.45Å
202F97.2Very high95.1Very high10 Ų1058.1 Ų58.14%0.04431%0.313CS..THydrogen-bonded Turntrans-124.527.9177.2-75.6-109.4000111.5F64 L177 W178 G200 E204 K205 M409 L411F64-F202 HydrophobicContact CE1-CD2 4.22Å; F64-F202 HydrophobicContact CE1-CE1 4.42Å; F64-F202 AromaticContact CE1-CE2 3.85Å; F64-F202 HydrophobicContact CE1-CE2 3.85Å; F64-F202 AromaticContact CE1-CZ 3.95Å; F64-F202 HydrophobicContact CE1-CZ 3.95Å; F64-F202 HydrophobicContact CZ-CZ 4.48Å; L177-F202 HydrophobicContact CD2-CD2 4.26Å; L177-F202 CarbonylContact O-C 3.45Å; L177-F202 VanDerWaalsContact O-CA 3.22Å; L177-F202 WeakPolarHBondContact O-CA 3.32Å; L177-F202 WeakPolarHBondContact O-CB 3.47Å; L177-F202 PolarHBondContact O-N 3.06Å; W178-F202 HydrophobicContact CE3-CB 4.08Å; W178-F202 HydrophobicContact CH2-CB 4.48Å; W178-F202 HydrophobicContact CZ3-CB 3.79Å; G200-F202 PolarHBondContact O-N 3.13Å; F202-E204 PolarHBondContact O-N 3.37Å; F202-K205 HydrophobicContact CB-CB 4.29Å; F202-K205 HydrophobicContact CB-CD 4.32Å; F202-K205 HydrophobicContact CD1-CB 4.33Å; F202-K205 HydrophobicContact CD1-CD 3.73Å; F202-K205 HydrophobicContact CE1-CD 4.31Å; F202-K205 HydrophobicContact CG-CD 4.18Å; F202-K205 WeakPolarHBondContact O-CB 3.39Å; F202-K205 PolarHBondContact O-N 3.11Å; F202-K205 VanDerWaalsContact O-N 3.07Å; F202-M409 HydrophobicContact CD2-CE 4.31Å; F202-M409 HydrophobicContact CE2-CE 3.59Å; F202-M409 HydrophobicContact CZ-CE 4.45Å; F202-L411 HydrophobicContact CE2-CD2 4.17Å; F202-L411 HydrophobicContact CZ-CD2 3.62Å
203Y97.1Very high95.5Very high65 Ų6554.5 Ų54.526%0.25530%0.299SS..THydrogen-bonded Turntrans-54.8131.5176.7178.3-105.5000111L177 W178 Y198 G200 K205L177-Y203 PolarHBondContact O-N 3.41Å; W178-Y203 WeakPolarHBondContact O-CD2 3.49Å; Y198-Y203 VanDerWaalsContact CB-CE2 3.46Å; Y198-Y203 HydrophobicContact CG-CE2 4.04Å; G200-Y203 WeakPolarHBondContact O-CB 3.31Å; G200-Y203 PolarHBondContact O-N 3.26Å; Y203-K205 PolarHBondContact O-N 3.3Å
204E94.4Very high95.8Very high129 Ų12951.5 Ų51.560%0.60328%0.279SS*.THydrogen-bonded Turntrans55.115.4-177-70.8177.1-178.200115.6F202 T208F202-E204 PolarHBondContact O-N 3.37Å; E204-T208 WeakPolarHBondContact O-CG2 3.28Å; E204-T208 PolarHBondContact O-OG1 2.76Å
205K94.6Very high96Very high66 Ų6646.4 Ų46.429%0.28725%0.251SS..  trans-85.2-12.9173-70.2-169.7170.8-93.30113.8F202 Y203 G207 T208 D272F202-K205 HydrophobicContact CB-CB 4.29Å; F202-K205 HydrophobicContact CB-CD 4.32Å; F202-K205 HydrophobicContact CD1-CB 4.33Å; F202-K205 HydrophobicContact CD1-CD 3.73Å; F202-K205 HydrophobicContact CE1-CD 4.31Å; F202-K205 HydrophobicContact CG-CD 4.18Å; F202-K205 WeakPolarHBondContact O-CB 3.39Å; F202-K205 PolarHBondContact O-N 3.11Å; F202-K205 VanDerWaalsContact O-N 3.07Å; Y203-K205 PolarHBondContact O-N 3.3Å; K205-G207 PolarHBondContact O-N 2.82Å; K205-T208 VanDerWaalsContact C-OG1 3.27Å; K205-T208 VanDerWaalsContact CA-OG1 3.29Å; K205-T208 WeakPolarHBondContact CA-OG1 3.38Å; K205-T208 PolarHBondContact O-OG1 2.79Å; K205-D272 IonicContact NZ-OD1 3.35Å; K205-D272 PolarHBondContact NZ-OD1 2.98Å
206N94.3Very high96.3Very high82 Ų8246.8 Ų46.844%0.43925%0.253SS..THydrogen-bonded Turntrans-82.1117.5-177.7-168.219000111.2A116 Y117 W178 T208A116-N206 VanDerWaalsContact CA-OD1 3.25Å; A116-N206 WeakPolarHBondContact CA-OD1 3.22Å; A116-N206 WeakPolarHBondContact CB-OD1 3.12Å; Y117-N206 PolarHBondContact N-OD1 3.26Å; W178-N206 HydrophobicContact CE3-CB 4.22Å; W178-N206 HydrophobicContact CZ3-CB 4.09Å; N206-T208 VanDerWaalsContact C-N 3.33Å
207G93.4Very high96.4Very high50 Ų5044.6 Ų44.652%0.51524%0.238SC..THydrogen-bonded Turntrans78.418.1-179.800000113.7K115 K205K115-G207 WeakPolarHBondContact O-CA 3.46Å; K115-G207 PolarHBondContact O-N 3.05Å; K205-G207 PolarHBondContact O-N 2.82Å
208T95.2Very high96.3Very high56 Ų5644 Ų4434%0.34424%0.236SC..EExtended strand (participates in β ladder)trans-118.6179.1178.459.10000110.7N114 K115 E204 K205 N206N114-T208 WeakPolarHBondContact CA-O 3.14Å; K115-T208 PolarHBondContact N-O 3.45Å; E204-T208 WeakPolarHBondContact O-CG2 3.28Å; E204-T208 PolarHBondContact O-OG1 2.76Å; K205-T208 VanDerWaalsContact C-OG1 3.27Å; K205-T208 VanDerWaalsContact CA-OG1 3.29Å; K205-T208 WeakPolarHBondContact CA-OG1 3.38Å; K205-T208 PolarHBondContact O-OG1 2.79Å; N206-T208 VanDerWaalsContact C-N 3.33Å
209N95.3Very high96.1Very high68 Ų6843.4 Ų43.436%0.36424%0.236SC..EExtended strand (participates in β ladder)trans-118.4167.817459.179.2000110.7V112 S113 N114 G211V112-N209 HydrophobicContact CB-CB 3.84Å; V112-N209 HydrophobicContact CG2-CB 4.36Å; S113-N209 VanDerWaalsContact O-CA 3.29Å; S113-N209 WeakPolarHBondContact O-CA 3.37Å; S113-N209 VanDerWaalsContact O-CB 3.24Å; S113-N209 WeakPolarHBondContact O-CB 3.47Å; N114-N209 WeakPolarHBondContact OD1-CB 3.49Å; N114-N209 PolarHBondContact OD1-ND2 3.25Å; N209-G211 PolarHBondContact OD1-N 3.05Å
210D93.3Very high95.9Very high48 Ų4845.8 Ų45.826%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-10319.2-17764.9-37.1000113.3Y213 W231 S271D210-Y213 WeakPolarHBondContact OD1-CE2 3.33Å; D210-Y213 PolarHBondContact OD2-OH 3.16Å; D210-W231 WeakPolarHBondContact O-CZ2 3.02Å; D210-W231 PolarHBondContact O-NE1 2.83Å; D210-S271 VanDerWaalsContact OD2-CB 3.32Å; D210-S271 WeakPolarHBondContact OD2-CB 3.26Å; D210-S271 PolarHBondContact OD2-OG 3.2Å
211G94.6Very high95.8Very high10 Ų1048.3 Ų48.310%0.10326%0.261CS..EExtended strand (participates in β ladder)trans126.2171.1175.700000114.3N209 Y213 N232N209-G211 PolarHBondContact OD1-N 3.05Å; G211-Y213 VanDerWaalsContact O-CD2 3.31Å; G211-Y213 WeakPolarHBondContact O-CD2 3.33Å; G211-N232 WeakPolarHBondContact CA-OD1 3.35Å
212D97.3Very high95.7Very high100 Ų10049.7 Ų49.754%0.53527%0.265SS..EExtended strand (participates in β ladder)trans-83121.4175.8-65.6-58.8000109.8V112 W231 N232V112-D212 WeakPolarHBondContact CG1-OD1 3.09Å; D212-W231 CarbonylContact O-C 3.53Å; D212-W231 WeakPolarHBondContact O-CA 3.22Å; D212-N232 PolarHBondContact N-OD1 3.29Å; D212-N232 PolarHBondContact O-N 2.91Å
213Y98.3Very high95.7Very high5 Ų552.3 Ų52.32%0.0228%0.279CS..EExtended strand (participates in β ladder)trans-107.5145.4176.9-69.9-94.9000110.9S110 A111 D210 G211 F215 I228 W231 F269 S271S110-Y213 CarbonylContact C-O 3.56Å; S110-Y213 WeakPolarHBondContact CA-O 3.46Å; S110-Y213 WeakPolarHBondContact CB-O 3.43Å; A111-Y213 PolarHBondContact N-O 2.83Å; A111-Y213 PolarHBondContact O-N 3.34Å; D210-Y213 WeakPolarHBondContact OD1-CE2 3.33Å; D210-Y213 PolarHBondContact OD2-OH 3.16Å; G211-Y213 VanDerWaalsContact O-CD2 3.31Å; G211-Y213 WeakPolarHBondContact O-CD2 3.33Å; Y213-F215 HydrophobicContact CD1-CE1 4.07Å; Y213-F215 AromaticContact CD1-CZ 3.83Å; Y213-F215 HydrophobicContact CD1-CZ 3.83Å; Y213-F215 HydrophobicContact CD2-CZ 4.32Å; Y213-F215 HydrophobicContact CG-CE1 4.28Å; Y213-F215 HydrophobicContact CG-CE2 4.01Å; Y213-F215 AromaticContact CG-CZ 3.59Å; Y213-F215 HydrophobicContact CG-CZ 3.59Å; Y213-I228 HydrophobicContact CD1-CD1 4.1Å; Y213-I228 HydrophobicContact CD1-CG1 4.11Å; Y213-I228 HydrophobicContact CD1-CG2 4.14Å; Y213-I228 HydrophobicContact CE1-CD1 3.93Å; Y213-I228 HydrophobicContact CE1-CG1 4.45Å; Y213-W231 HydrophobicContact CD1-CB 4.47Å; Y213-W231 AromaticContact CD1-CD1 3.75Å; Y213-W231 HydrophobicContact CD1-CG 4.44Å; Y213-W231 HydrophobicContact CE1-CB 4.44Å; Y213-W231 AromaticContact CE1-CD1 3.36Å; Y213-W231 HydrophobicContact CE1-CG 4.08Å; Y213-W231 AromaticContact CE1-NE1 4Å; Y213-W231 AromaticContact CE2-CD1 3.69Å; Y213-W231 AromaticContact CE2-NE1 3.81Å; Y213-W231 AromaticContact CZ-CD1 3.34Å; Y213-W231 AromaticContact CZ-NE1 3.51Å; Y213-F269 HydrophobicContact CE1-CD1 4.49Å; Y213-S271 WeakPolarHBondContact OH-CB 3.02Å
214V98.1Very high95.6Very high32 Ų3251 Ų5119%0.19428%0.276CS..EExtended strand (participates in β ladder)trans-117122.8161.2-172.80000107.7T108 V229 E230T108-V214 HydrophobicContact CG2-CG1 4.45Å; V214-V229 HydrophobicContact CB-CG2 3.74Å; V214-V229 HydrophobicContact CG1-CG2 3.53Å; V214-V229 VanDerWaalsContact O-CG2 3.23Å; V214-V229 WeakPolarHBondContact O-CG2 3.35Å; V214-V229 PolarHBondContact O-N 3.36Å; V214-E230 HydrophobicContact CB-CB 4.04Å; V214-E230 HydrophobicContact CG2-CB 4.03Å; V214-E230 PolarHBondContact N-O 3.07Å; V214-E230 PolarHBondContact O-N 2.91Å
215F98Very high95.8Very high0 Ų045.4 Ų45.40%025%0.25CS..EExtended strand (participates in β ladder)trans-110.7154.7-179.2-56.8-83.2000111.4W53 T108 I109 Y213 K227 I228 D252W53-F215 AromaticContact CZ2-CD2 3.82Å; W53-F215 HydrophobicContact CZ2-CD2 3.82Å; W53-F215 AromaticContact CZ2-CE2 3.95Å; W53-F215 HydrophobicContact CZ2-CE2 3.95Å; T108-F215 CarbonylContact C-O 3.28Å; T108-F215 VanDerWaalsContact CA-O 3.27Å; T108-F215 WeakPolarHBondContact CA-O 3.21Å; I109-F215 HydrophobicContact CG2-CB 3.88Å; I109-F215 PolarHBondContact N-O 3Å; I109-F215 PolarHBondContact O-N 3.3Å; Y213-F215 HydrophobicContact CD1-CE1 4.07Å; Y213-F215 AromaticContact CD1-CZ 3.83Å; Y213-F215 HydrophobicContact CD1-CZ 3.83Å; Y213-F215 HydrophobicContact CD2-CZ 4.32Å; Y213-F215 HydrophobicContact CG-CE1 4.28Å; Y213-F215 HydrophobicContact CG-CE2 4.01Å; Y213-F215 AromaticContact CG-CZ 3.59Å; Y213-F215 HydrophobicContact CG-CZ 3.59Å; F215-K227 CarbonylContact C-O 3.21Å; F215-K227 WeakPolarHBondContact CA-O 3.29Å; F215-I228 HydrophobicContact CD1-CG1 3.83Å; F215-I228 HydrophobicContact CE1-CD1 4.42Å; F215-I228 HydrophobicContact CE1-CG1 3.63Å; F215-D252 HydrophobicContact CE1-CB 4.26Å
216L98Very high95.9Very high27 Ų2742.2 Ų42.214%0.14124%0.236CC..EExtended strand (participates in β ladder)trans-85134.1164-69.1169.1000110T107 T108 N224 T226 K227 V229T107-L216 HydrophobicContact CG2-CD2 4.37Å; T108-L216 HydrophobicContact CG2-CD2 3.99Å; L216-N224 HydrophobicContact CB-CB 4.11Å; L216-N224 VanDerWaalsContact CB-O 3.25Å; L216-N224 WeakPolarHBondContact CB-O 3.31Å; L216-N224 HydrophobicContact CD1-CB 3.86Å; L216-T226 WeakPolarHBondContact O-CA 3.24Å; L216-T226 PolarHBondContact O-N 2.74Å; L216-K227 HydrophobicContact CB-CB 4.48Å; L216-K227 HydrophobicContact CD1-CB 4.28Å; L216-K227 PolarHBondContact N-O 2.78Å; L216-V229 HydrophobicContact CD1-CG1 3.6Å; L216-V229 HydrophobicContact CD2-CG1 4.02Å; L216-V229 HydrophobicContact CG-CG1 3.52Å
217T97Very high96.1Very high0 Ų041.5 Ų41.50%023%0.229CC..  trans-80.7-20.6-172.560.90000113.7L43 G106 T107 I109 E219 F225L43-T217 HydrophobicContact CB-CG2 4.05Å; L43-T217 PolarHBondContact N-O 2.93Å; G106-T217 WeakPolarHBondContact O-CB 3.5Å; G106-T217 VanDerWaalsContact O-CG2 3.28Å; G106-T217 WeakPolarHBondContact O-CG2 3.31Å; G106-T217 PolarHBondContact O-OG1 2.82Å; T107-T217 PolarHBondContact O-N 3.24Å; T107-T217 PolarHBondContact O-OG1 3.32Å; I109-T217 HydrophobicContact CB-CG2 3.81Å; I109-T217 HydrophobicContact CG2-CG2 3.76Å; T217-E219 WeakPolarHBondContact OG1-CB 3.41Å; T217-E219 PolarHBondContact OG1-N 3.43Å; T217-F225 WeakPolarHBondContact O-CD2 3.45Å
218G95.6Very high96.3Very high5 Ų539.7 Ų39.75%0.05221%0.208CC..SBendtrans87.22.8-169.500000114.5D220 N221G218-D220 VanDerWaalsContact C-N 3.32Å; G218-N221 WeakPolarHBondContact CA-O 3.3Å; G218-N221 CarbonylContact O-C 3.44Å
219E93.9Very high96.4Very high89 Ų8939.3 Ų39.342%0.41621%0.205SC..SBendtrans-67.2-32.7177.4-171.178.1-142.600111.8V42 R44 T217V42-E219 HydrophobicContact CG1-CB 4.05Å; V42-E219 WeakPolarHBondContact CG1-OE2 3.31Å; R44-E219 IonicContact NH1-OE1 2.74Å; R44-E219 PolarHBondContact NH1-OE1 3.44Å; R44-E219 IonicContact NH1-OE2 2.69Å; R44-E219 PolarHBondContact NH1-OE2 3.5Å; T217-E219 WeakPolarHBondContact OG1-CB 3.41Å; T217-E219 PolarHBondContact OG1-N 3.43Å
220D92.9Very high96.5Very high83 Ų8339.6 Ų39.644%0.44420%0.204SC..SBendtrans-73.9-49.7173.164.4-41.8000111.9T107 G218 N224T107-D220 HydrophobicContact CG2-CB 3.86Å; G218-D220 VanDerWaalsContact C-N 3.32Å; D220-N224 PolarHBondContact OD2-ND2 3.33Å
221N95Very high96.8Very high64 Ų6438.8 Ų38.834%0.34220%0.198SC..  trans-155.8126.3-177.1-175.1-16.1000109.4G218 L223 N224G218-N221 WeakPolarHBondContact CA-O 3.3Å; G218-N221 CarbonylContact O-C 3.44Å; N221-L223 PolarHBondContact O-N 3.09Å; N221-L223 VanDerWaalsContact O-N 3.08Å; N221-L223 WeakPolarHBondContact OD1-CB 3.45Å; N221-L223 PolarHBondContact OD1-N 3.15Å; N221-N224 WeakPolarHBondContact O-CB 3.1Å; N221-N224 PolarHBondContact O-N 2.88Å
222Y95.5Very high96.9Very high55 Ų5542 Ų4222%0.21621%0.212CC..G310 helixtrans-56.8-29.4179.476.9-91.1000113E38 N224 F225 H257 P258 L259E38-Y222 HydrophobicContact CG-CD1 3.56Å; E38-Y222 HydrophobicContact CG-CE1 4.12Å; E38-Y222 HydrophobicContact CG-CG 3.82Å; E38-Y222 WeakPolarHBondContact OE1-CE1 3.11Å; Y222-N224 PolarHBondContact O-N 3.42Å; Y222-N224 VanDerWaalsContact O-N 3.16Å; Y222-F225 WeakPolarHBondContact O-CB 3.41Å; Y222-F225 PolarHBondContact O-N 2.77Å; Y222-H257 WeakPolarHBondContact O-CB 3.5Å; Y222-P258 HydrophobicContact CD2-CG 3.79Å; Y222-P258 WeakPolarHBondContact CE2-O 3.44Å; Y222-P258 HydrophobicContact CG-CG 4.32Å; Y222-L259 HydrophobicContact CE2-CB 4.04Å; Y222-L259 HydrophobicContact CE2-CD1 4.19Å; Y222-L259 HydrophobicContact CE2-CG 4.43Å
223L96.8Very high96.9Very high65 Ų6540.1 Ų40.134%0.3422%0.217SC..G310 helixtrans-64.1-16.9176.4-66.3174000113N221 K227N221-L223 PolarHBondContact O-N 3.09Å; N221-L223 VanDerWaalsContact O-N 3.08Å; N221-L223 WeakPolarHBondContact OD1-CB 3.45Å; N221-L223 PolarHBondContact OD1-N 3.15Å; L223-K227 WeakPolarHBondContact O-CE 3.14Å; L223-K227 PolarHBondContact O-NZ 3.15Å
224N96.6Very high96.8Very high36 Ų3644.4 Ų44.419%0.19324%0.235CC..G310 helixtrans-96.52.5176.5-68.7-22.3000113.2L216 D220 N221 Y222 T226 K227L216-N224 HydrophobicContact CB-CB 4.11Å; L216-N224 VanDerWaalsContact CB-O 3.25Å; L216-N224 WeakPolarHBondContact CB-O 3.31Å; L216-N224 HydrophobicContact CD1-CB 3.86Å; D220-N224 PolarHBondContact OD2-ND2 3.33Å; N221-N224 WeakPolarHBondContact O-CB 3.1Å; N221-N224 PolarHBondContact O-N 2.88Å; Y222-N224 PolarHBondContact O-N 3.42Å; Y222-N224 VanDerWaalsContact O-N 3.16Å; N224-T226 PolarHBondContact O-N 3.23Å; N224-K227 HydrophobicContact CB-CD 4.42Å; N224-K227 WeakPolarHBondContact O-CB 3.45Å; N224-K227 PolarHBondContact O-N 2.77Å; N224-K227 VanDerWaalsContact O-N 3.08Å; N224-K227 PolarHBondContact OD1-NZ 2.66Å
225F97.8Very high96.8Very high12 Ų1247.3 Ų47.35%0.05325%0.254CS..THydrogen-bonded Turntrans-52.2124.2-180-179.4-97.8000111.8I41 L43 T217 Y222 K227 F256 H257I41-F225 HydrophobicContact CG2-CD1 4.31Å; I41-F225 HydrophobicContact CG2-CD2 4.11Å; I41-F225 HydrophobicContact CG2-CE1 4.09Å; I41-F225 HydrophobicContact CG2-CE2 3.88Å; I41-F225 HydrophobicContact CG2-CG 4.33Å; I41-F225 HydrophobicContact CG2-CZ 3.87Å; I41-F225 WeakPolarHBondContact O-CD2 3.18Å; L43-F225 HydrophobicContact CD2-CE2 3.76Å; L43-F225 HydrophobicContact CD2-CZ 3.84Å; L43-F225 HydrophobicContact CG-CD2 4.47Å; L43-F225 HydrophobicContact CG-CE2 3.76Å; L43-F225 HydrophobicContact CG-CZ 4.25Å; T217-F225 WeakPolarHBondContact O-CD2 3.45Å; Y222-F225 WeakPolarHBondContact O-CB 3.41Å; Y222-F225 PolarHBondContact O-N 2.77Å; F225-K227 PolarHBondContact O-N 2.74Å; F225-K227 VanDerWaalsContact O-N 3.1Å; F225-F256 WeakPolarHBondContact CD1-O 3.49Å; F225-H257 HydrophobicContact CB-CB 4.16Å
226T97.3Very high96.8Very high0 Ų050 Ų500%027%0.273CS..THydrogen-bonded Turntrans54.519.3-178.9-155.70000115.9L216 N224 T251 S255L216-T226 WeakPolarHBondContact O-CA 3.24Å; L216-T226 PolarHBondContact O-N 2.74Å; N224-T226 PolarHBondContact O-N 3.23Å; T226-T251 HydrophobicContact CG2-CG2 3.58Å; T226-S255 WeakPolarHBondContact CG2-OG 3.46Å
227K98Very high96.8Very high67 Ų6749.1 Ų49.129%0.29127%0.268SS..BIsolated β-bridgetrans-67.3141.4172.6-76.6-171.3-175.3156.60110.6F215 L216 L223 N224 F225 G250F215-K227 CarbonylContact C-O 3.21Å; F215-K227 WeakPolarHBondContact CA-O 3.29Å; L216-K227 HydrophobicContact CB-CB 4.48Å; L216-K227 HydrophobicContact CD1-CB 4.28Å; L216-K227 PolarHBondContact N-O 2.78Å; L223-K227 WeakPolarHBondContact O-CE 3.14Å; L223-K227 PolarHBondContact O-NZ 3.15Å; N224-K227 HydrophobicContact CB-CD 4.42Å; N224-K227 WeakPolarHBondContact O-CB 3.45Å; N224-K227 PolarHBondContact O-N 2.77Å; N224-K227 VanDerWaalsContact O-N 3.08Å; N224-K227 PolarHBondContact OD1-NZ 2.66Å; F225-K227 PolarHBondContact O-N 2.74Å; F225-K227 VanDerWaalsContact O-N 3.1Å; K227-G250 CarbonylContact C-O 3.49Å; K227-G250 WeakPolarHBondContact CA-O 3.26Å
228I98.4Very high96.8Very high11 Ų1153.9 Ų53.96%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-81.8128.6176.3-60.2161000108.6Y213 F215 I248 G250 D252 F269Y213-I228 HydrophobicContact CD1-CD1 4.1Å; Y213-I228 HydrophobicContact CD1-CG1 4.11Å; Y213-I228 HydrophobicContact CD1-CG2 4.14Å; Y213-I228 HydrophobicContact CE1-CD1 3.93Å; Y213-I228 HydrophobicContact CE1-CG1 4.45Å; F215-I228 HydrophobicContact CD1-CG1 3.83Å; F215-I228 HydrophobicContact CE1-CD1 4.42Å; F215-I228 HydrophobicContact CE1-CG1 3.63Å; I228-I248 HydrophobicContact CB-CG2 4.04Å; I228-I248 HydrophobicContact CG2-CG2 3.67Å; I228-G250 PolarHBondContact N-O 3.25Å; I228-D252 HydrophobicContact CD1-CB 4.33Å; I228-F269 HydrophobicContact CD1-CB 3.91Å; I228-F269 HydrophobicContact CD1-CD1 4.02Å; I228-F269 HydrophobicContact CD1-CG 4.46Å
229V97Very high96.7Very high48 Ų4856.4 Ų56.429%0.29130%0.301SS..EExtended strand (participates in β ladder)trans-105.1-34.2171.5-68.30000111.8V214 L216V214-V229 HydrophobicContact CB-CG2 3.74Å; V214-V229 HydrophobicContact CG1-CG2 3.53Å; V214-V229 VanDerWaalsContact O-CG2 3.23Å; V214-V229 WeakPolarHBondContact O-CG2 3.35Å; V214-V229 PolarHBondContact O-N 3.36Å; L216-V229 HydrophobicContact CD1-CG1 3.6Å; L216-V229 HydrophobicContact CD2-CG1 4.02Å; L216-V229 HydrophobicContact CG-CG1 3.52Å
230E97.7Very high96.9Very high75 Ų7552.7 Ų52.735%0.3528%0.284SS..EExtended strand (participates in β ladder)trans-140.8143.7176.8-65.1-178.4-176.700110.7V214 K234 T235V214-E230 HydrophobicContact CB-CB 4.04Å; V214-E230 HydrophobicContact CG2-CB 4.03Å; V214-E230 PolarHBondContact N-O 3.07Å; V214-E230 PolarHBondContact O-N 2.91Å; E230-K234 VanDerWaalsContact CA-O 3.32Å; E230-K234 WeakPolarHBondContact CA-O 3.47Å; E230-T235 HydrophobicContact CG-CG2 3.67Å
231W98.3Very high97Very high31 Ų3152 Ų5212%0.11728%0.279CS..EExtended strand (participates in β ladder)trans-131.9125.7168.7178.363.8000108.8D210 D212 Y213 G233 K234 L237 W239 I248 F269D210-W231 WeakPolarHBondContact O-CZ2 3.02Å; D210-W231 PolarHBondContact O-NE1 2.83Å; D212-W231 CarbonylContact O-C 3.53Å; D212-W231 WeakPolarHBondContact O-CA 3.22Å; Y213-W231 HydrophobicContact CD1-CB 4.47Å; Y213-W231 AromaticContact CD1-CD1 3.75Å; Y213-W231 HydrophobicContact CD1-CG 4.44Å; Y213-W231 HydrophobicContact CE1-CB 4.44Å; Y213-W231 AromaticContact CE1-CD1 3.36Å; Y213-W231 HydrophobicContact CE1-CG 4.08Å; Y213-W231 AromaticContact CE1-NE1 4Å; Y213-W231 AromaticContact CE2-CD1 3.69Å; Y213-W231 AromaticContact CE2-NE1 3.81Å; Y213-W231 AromaticContact CZ-CD1 3.34Å; Y213-W231 AromaticContact CZ-NE1 3.51Å; W231-G233 PolarHBondContact O-N 3.03Å; W231-K234 PolarHBondContact N-O 3.17Å; W231-K234 PolarHBondContact O-N 2.91Å; W231-L237 HydrophobicContact CE3-CD2 4Å; W231-L237 HydrophobicContact CZ3-CD2 3.93Å; W231-W239 AromaticContact CH2-CH2 3.63Å; W231-W239 HydrophobicContact CH2-CH2 3.63Å; W231-W239 HydrophobicContact CH2-CZ2 4.1Å; W231-W239 AromaticContact CZ3-CH2 3.59Å; W231-W239 HydrophobicContact CZ3-CH2 3.59Å; W231-W239 AromaticContact CZ3-CZ2 3.99Å; W231-W239 HydrophobicContact CZ3-CZ2 3.99Å; W231-W239 HydrophobicContact CZ3-CZ3 4.42Å; W231-I248 HydrophobicContact CB-CD1 4.03Å; W231-F269 HydrophobicContact CB-CE1 4.4Å; W231-F269 AromaticContact CD2-CE1 3.83Å; W231-F269 HydrophobicContact CD2-CE1 3.83Å; W231-F269 HydrophobicContact CD2-CZ 4.18Å; W231-F269 HydrophobicContact CE3-CE1 4.01Å; W231-F269 AromaticContact CE3-CZ 3.89Å; W231-F269 HydrophobicContact CE3-CZ 3.89Å; W231-F269 HydrophobicContact CG-CE1 4.02Å; W231-F269 HydrophobicContact CZ3-CZ 4.18Å
232N97.2Very high97Very high76 Ų7651.6 Ų51.641%0.40628%0.279SS..THydrogen-bonded Turntrans51.640.8-174.4-65.3-33.3000113.4G211 D212 K234G211-N232 WeakPolarHBondContact CA-OD1 3.35Å; D212-N232 PolarHBondContact N-OD1 3.29Å; D212-N232 PolarHBondContact O-N 2.91Å; N232-K234 PolarHBondContact O-N 2.89Å
233G97Very high97.1Very high61 Ų6155.9 Ų55.963%0.62931%0.306SS*.THydrogen-bonded Turntrans70.114179.900000114.9W231W231-G233 PolarHBondContact O-N 3.03Å
234K97.4Very high97.1Very high95 Ų9558.6 Ų58.641%0.41332%0.315SS..BIsolated β-bridgetrans-119.6139.6175.8-61.3-177.7-178174.60110.8E230 W231 N232 S236 D238E230-K234 VanDerWaalsContact CA-O 3.32Å; E230-K234 WeakPolarHBondContact CA-O 3.47Å; W231-K234 PolarHBondContact N-O 3.17Å; W231-K234 PolarHBondContact O-N 2.91Å; N232-K234 PolarHBondContact O-N 2.89Å; K234-S236 WeakPolarHBondContact CB-O 3.33Å; K234-D238 IonicContact NZ-OD1 2.95Å; K234-D238 PolarHBondContact NZ-OD1 3.3Å; K234-D238 IonicContact NZ-OD2 2.75Å; K234-D238 PolarHBondContact NZ-OD2 2.74Å
235T97.7Very high97.1Very high94 Ų9457.1 Ų57.158%0.57731%0.307SS*.SBendtrans-86.7-8.6174.355.20000113.1E230E230-T235 HydrophobicContact CG-CG2 3.67Å
236S97.9Very high97.1Very high57 Ų5757.3 Ų57.340%0.39931%0.309SS..BIsolated β-bridgetrans-146158.3176.167.80000110.7K234 N246K234-S236 WeakPolarHBondContact CB-O 3.33Å; S236-N246 WeakPolarHBondContact CA-O 3.32Å; S236-N246 WeakPolarHBondContact CB-O 3.47Å
237L97.8Very high97.1Very high7 Ų761.7 Ų61.74%0.03733%0.33CS..  trans-72.5164.5169.2-53.1174.2000110.6W231 W239 N246 I248 F269W231-L237 HydrophobicContact CE3-CD2 4Å; W231-L237 HydrophobicContact CZ3-CD2 3.93Å; L237-W239 HydrophobicContact CD1-CE3 4.18Å; L237-W239 HydrophobicContact CD1-CZ3 4.33Å; L237-W239 HydrophobicContact CD2-CE3 4.24Å; L237-W239 HydrophobicContact CD2-CH2 4.37Å; L237-W239 HydrophobicContact CD2-CZ3 3.97Å; L237-N246 HydrophobicContact CB-CB 4.16Å; L237-N246 WeakPolarHBondContact CB-OD1 3.25Å; L237-N246 PolarHBondContact N-O 3.24Å; L237-N246 VanDerWaalsContact O-CB 3.25Å; L237-N246 WeakPolarHBondContact O-CB 3.39Å; L237-N246 VanDerWaalsContact O-CG 3.23Å; L237-N246 PolarHBondContact O-OD1 2.95Å; L237-I248 HydrophobicContact CD2-CD1 4.13Å; L237-I248 HydrophobicContact CD2-CG1 4.1Å; L237-I248 HydrophobicContact CG-CD1 4.49Å; L237-I248 HydrophobicContact CG-CG1 4.04Å; L237-F269 HydrophobicContact CD1-CE2 3.96Å; L237-F269 HydrophobicContact CD2-CE2 3.93Å; L237-F269 HydrophobicContact CD2-CZ 3.82Å; L237-F269 HydrophobicContact CG-CE2 4.36Å
238D96.3Very high97.2Very high101 Ų10159.2 Ų59.254%0.5432%0.32SS..SBendtrans-128.717.6177.359.4-25.8000112.6K234K234-D238 IonicContact NZ-OD1 2.95Å; K234-D238 PolarHBondContact NZ-OD1 3.3Å; K234-D238 IonicContact NZ-OD2 2.75Å; K234-D238 PolarHBondContact NZ-OD2 2.74Å
239W95.1Very high97.1Very high57 Ų5760.9 Ų60.922%0.21633%0.329CS..SBendtrans-94.6-35.5-175.9-57.4-29.6000113.3W231 L237 N246 C274 I313 I328 C329W231-W239 AromaticContact CH2-CH2 3.63Å; W231-W239 HydrophobicContact CH2-CH2 3.63Å; W231-W239 HydrophobicContact CH2-CZ2 4.1Å; W231-W239 AromaticContact CZ3-CH2 3.59Å; W231-W239 HydrophobicContact CZ3-CH2 3.59Å; W231-W239 AromaticContact CZ3-CZ2 3.99Å; W231-W239 HydrophobicContact CZ3-CZ2 3.99Å; W231-W239 HydrophobicContact CZ3-CZ3 4.42Å; L237-W239 HydrophobicContact CD1-CE3 4.18Å; L237-W239 HydrophobicContact CD1-CZ3 4.33Å; L237-W239 HydrophobicContact CD2-CE3 4.24Å; L237-W239 HydrophobicContact CD2-CH2 4.37Å; L237-W239 HydrophobicContact CD2-CZ3 3.97Å; W239-N246 PolarHBondContact N-OD1 2.85Å; W239-C274 HydrophobicContact CE3-CB 3.93Å; W239-C274 HydrophobicContact CH2-CB 4.46Å; W239-C274 HydrophobicContact CZ3-CB 3.56Å; W239-C274 WeakPolarHBondContact CZ3-O 3.46Å; W239-I313 WeakPolarHBondContact O-CD1 3.36Å; W239-I328 HydrophobicContact CB-CG1 3.97Å; W239-I328 HydrophobicContact CB-CG2 3.82Å; W239-I328 HydrophobicContact CG-CG1 4.21Å; W239-I328 HydrophobicContact CG-CG2 4.29Å; W239-C329 HydrophobicContact CD2-CB 3.98Å; W239-C329 HydrophobicContact CE3-CB 3.86Å; W239-C329 HydrophobicContact CH2-CB 3.8Å; W239-C329 HydrophobicContact CZ2-CB 3.94Å; W239-C329 HydrophobicContact CZ3-CB 3.79Å
240W96.6Very high97.2Very high12 Ų1259.4 Ų59.45%0.04532%0.323CS..SBendtrans-94.4164.8-169.9-51.8117.4000111.9C245 N246 C274 R275 F311 I313 L324 N325 I328W240-C245 HydrophobicContact CB-CB 3.64Å; W240-C245 VanDerWaalsContact CD1-O 3.26Å; W240-C245 HydrophobicContact CG-CB 4.22Å; W240-N246 WeakPolarHBondContact CB-OD1 3.31Å; W240-N246 PolarHBondContact N-OD1 3.24Å; W240-N246 PolarHBondContact O-ND2 3Å; W240-C274 HydrophobicContact CZ2-CB 4.16Å; W240-C274 VanDerWaalsContact CZ2-O 3.3Å; W240-C274 WeakPolarHBondContact CZ2-O 3.34Å; W240-C274 PolarHBondContact NE1-O 2.89Å; W240-R275 HydrophobicContact CZ2-CB 4.4Å; W240-F311 HydrophobicContact CB-CD1 4.41Å; W240-F311 AromaticContact CD1-CE1 3.76Å; W240-F311 AromaticContact CD2-CD1 3.49Å; W240-F311 HydrophobicContact CD2-CD1 3.49Å; W240-F311 VanDerWaalsContact CD2-CD1 3.49Å; W240-F311 HydrophobicContact CD2-CE1 4.04Å; W240-F311 AromaticContact CE2-CD1 3.68Å; W240-F311 HydrophobicContact CE3-CB 4.28Å; W240-F311 AromaticContact CE3-CD1 3.86Å; W240-F311 HydrophobicContact CE3-CD1 3.86Å; W240-F311 AromaticContact CG-CD1 3.72Å; W240-F311 HydrophobicContact CG-CD1 3.72Å; W240-F311 AromaticContact CG-CE1 3.86Å; W240-F311 HydrophobicContact CG-CE1 3.86Å; W240-F311 HydrophobicContact CZ2-CD1 4.2Å; W240-F311 HydrophobicContact CZ3-CB 4.41Å; W240-F311 HydrophobicContact CZ3-CD1 4.35Å; W240-F311 WeakPolarHBondContact CZ3-O 3.49Å; W240-F311 AromaticContact NE1-CD1 3.99Å; W240-F311 AromaticContact NE1-CE1 3.85Å; W240-I313 HydrophobicContact CE3-CD1 3.74Å; W240-I313 HydrophobicContact CE3-CG1 4.32Å; W240-I313 HydrophobicContact CZ3-CD1 3.93Å; W240-L324 HydrophobicContact CH2-CD1 4.24Å; W240-N325 WeakPolarHBondContact CH2-O 3.18Å; W240-I328 HydrophobicContact CH2-CG2 4.17Å; W240-I328 HydrophobicContact CZ3-CG2 4.15Å
241I95.5Very high97.2Very high68 Ų6856.1 Ų56.135%0.34931%0.308SS..SBendtrans-75.7-39.6-170-63.9167.7000112.1G310 C312 I313 E315I241-G310 PolarHBondContact N-O 3.13Å; I241-C312 WeakPolarHBondContact CD1-O 3.43Å; I241-I313 HydrophobicContact CD1-CG1 4.44Å; I241-I313 HydrophobicContact CG1-CG1 4.38Å; I241-E315 HydrophobicContact CD1-CB 3.76Å; I241-E315 HydrophobicContact CD1-CG 4.06Å
242T95.4Very high97.1Very high56 Ų5655.7 Ų55.734%0.34431%0.309SS..SBendtrans-107.2146.9-173.570.20000111.2K244 C245 N246T242-K244 PolarHBondContact O-N 3.42Å; T242-C245 PolarHBondContact O-N 3.5Å; T242-C245 WeakPolarHBondContact OG1-CB 3.26Å; T242-C245 PolarHBondContact OG1-N 3.44Å; T242-C245 PolarHBondContact OG1-SG 3.36Å; T242-N246 PolarHBondContact O-N 2.84Å; T242-N246 VanDerWaalsContact O-N 3.12Å; T242-N246 PolarHBondContact O-ND2 3.31Å
243D96.6Very high97Very high144 Ų14453 Ų5377%0.7730%0.298SS*.THydrogen-bonded Turntrans-53.5-40.2176-61.3-16.6000111.8C245 N246 M247D243-C245 PolarHBondContact O-N 3.29Å; D243-N246 PolarHBondContact O-N 3.43Å; D243-M247 WeakPolarHBondContact O-CG 3.47Å; D243-M247 PolarHBondContact O-N 3.38Å
244K96.5Very high96.8Very high123 Ų12353.4 Ų53.454%0.53529%0.286SS..THydrogen-bonded Turntrans-59-43.3175.9-179.1-177.6172.7-178.30112.2T242 N246 M247 D307T242-K244 PolarHBondContact O-N 3.42Å; K244-N246 VanDerWaalsContact C-N 3.27Å; K244-N246 PolarHBondContact O-N 3.03Å; K244-M247 PolarHBondContact O-N 3.07Å; K244-D307 IonicContact NZ-OD1 2.96Å; K244-D307 PolarHBondContact NZ-OD1 3.36Å
245C97Very high96.6Very high5 Ų549.9 Ų49.93%0.03427%0.273CS..THydrogen-bonded Turntrans-71.3-25.5179.9-67.90000112.5W240 T242 D243 G310 F311W240-C245 HydrophobicContact CB-CB 3.64Å; W240-C245 VanDerWaalsContact CD1-O 3.26Å; W240-C245 HydrophobicContact CG-CB 4.22Å; T242-C245 PolarHBondContact O-N 3.5Å; T242-C245 WeakPolarHBondContact OG1-CB 3.26Å; T242-C245 PolarHBondContact OG1-N 3.44Å; T242-C245 PolarHBondContact OG1-SG 3.36Å; D243-C245 PolarHBondContact O-N 3.29Å; C245-G310 VanDerWaalsContact SG-CA 3.59Å; C245-F311 HydrophobicContact CB-CD1 4.08Å; C245-F311 HydrophobicContact CB-CD2 4.41Å; C245-F311 HydrophobicContact CB-CE1 3.56Å; C245-F311 HydrophobicContact CB-CE2 3.92Å; C245-F311 HydrophobicContact CB-CG 4.47Å; C245-F311 HydrophobicContact CB-CZ 3.47Å; C245-F311 VanDerWaalsContact CB-CZ 3.47Å; C245-F311 WeakPolarHBondContact O-CE1 3.45Å; C245-F311 WeakPolarHBondContact SG-CE2 3.44Å; C245-F311 VanDerWaalsContact SG-CZ 3.59Å
246N98.1Very high96.6Very high15 Ų1545.6 Ų45.68%0.0825%0.247CC..THydrogen-bonded Turntrans-84.4-4.3177.5-78.5-45000114.4S236 L237 W239 W240 T242 D243 K244 I248S236-N246 WeakPolarHBondContact CA-O 3.32Å; S236-N246 WeakPolarHBondContact CB-O 3.47Å; L237-N246 HydrophobicContact CB-CB 4.16Å; L237-N246 WeakPolarHBondContact CB-OD1 3.25Å; L237-N246 PolarHBondContact N-O 3.24Å; L237-N246 VanDerWaalsContact O-CB 3.25Å; L237-N246 WeakPolarHBondContact O-CB 3.39Å; L237-N246 VanDerWaalsContact O-CG 3.23Å; L237-N246 PolarHBondContact O-OD1 2.95Å; W239-N246 PolarHBondContact N-OD1 2.85Å; W240-N246 WeakPolarHBondContact CB-OD1 3.31Å; W240-N246 PolarHBondContact N-OD1 3.24Å; W240-N246 PolarHBondContact O-ND2 3Å; T242-N246 PolarHBondContact O-N 2.84Å; T242-N246 VanDerWaalsContact O-N 3.12Å; T242-N246 PolarHBondContact O-ND2 3.31Å; D243-N246 PolarHBondContact O-N 3.43Å; K244-N246 VanDerWaalsContact C-N 3.27Å; K244-N246 PolarHBondContact O-N 3.03Å; N246-I248 PolarHBondContact O-N 3.13Å
247M98.4Very high96.6Very high92 Ų9243.7 Ų43.745%0.45323%0.232SC..BIsolated β-bridgetrans-65.9133.9179.4-63-178.676.900111.6D243 K244 S276D243-M247 WeakPolarHBondContact O-CG 3.47Å; D243-M247 PolarHBondContact O-N 3.38Å; K244-M247 PolarHBondContact O-N 3.07Å; M247-S276 WeakPolarHBondContact O-CB 3.23Å; M247-S276 PolarHBondContact O-OG 3.48Å
248I98.4Very high96.5Very high16 Ų1643.4 Ų43.48%0.08223%0.23CC..  trans-90.9105167.3-62.2171.1000107I228 W231 L237 N246 F269 S276I228-I248 HydrophobicContact CB-CG2 4.04Å; I228-I248 HydrophobicContact CG2-CG2 3.67Å; W231-I248 HydrophobicContact CB-CD1 4.03Å; L237-I248 HydrophobicContact CD2-CD1 4.13Å; L237-I248 HydrophobicContact CD2-CG1 4.1Å; L237-I248 HydrophobicContact CG-CD1 4.49Å; L237-I248 HydrophobicContact CG-CG1 4.04Å; N246-I248 PolarHBondContact O-N 3.13Å; I248-F269 HydrophobicContact CG1-CD2 4.47Å; I248-F269 HydrophobicContact CG1-CE2 4.4Å; I248-F269 HydrophobicContact CG2-CB 4.07Å; I248-F269 HydrophobicContact CG2-CD1 3.99Å; I248-F269 HydrophobicContact CG2-CD2 4.32Å; I248-F269 HydrophobicContact CG2-CG 3.84Å; I248-S276 WeakPolarHBondContact CA-OG 3.33Å
249N98.1Very high96.5Very high46 Ų4640 Ų4025%0.24621%0.212CC..  trans-115.7136.9-173.5-70.2-33.7000111.1Y267 V268 S276N249-Y267 HydrophobicContact CB-CD1 3.71Å; N249-Y267 HydrophobicContact CB-CE1 4.49Å; N249-Y267 HydrophobicContact CB-CG 3.92Å; N249-V268 CarbonylContact O-C 3.47Å; N249-S276 PolarHBondContact N-OG 2.92Å
250G97.6Very high96.6Very high16 Ų1637.7 Ų37.717%0.16520%0.203CC..SBendtrans85-147.9169.500000114.2K227 I228 Y267K227-G250 CarbonylContact C-O 3.49Å; K227-G250 WeakPolarHBondContact CA-O 3.26Å; I228-G250 PolarHBondContact N-O 3.25Å; G250-Y267 VanDerWaalsContact CA-O 3.32Å; G250-Y267 WeakPolarHBondContact CA-O 3.41Å
251T98Very high96.5Very high6 Ų640.5 Ų40.54%0.03722%0.222CC..BIsolated β-bridgetrans-103.9178.7-17575.90000111.1T226 G253 S255 Y267 V268 F269T226-T251 HydrophobicContact CG2-CG2 3.58Å; T251-G253 PolarHBondContact O-N 2.01Å; T251-G253 PolarHBondContact OG1-N 3.35Å; T251-G253 VanDerWaalsContact OG1-N 3.13Å; T251-S255 WeakPolarHBondContact CB-O 3.38Å; T251-S255 PolarHBondContact OG1-O 3.3Å; T251-Y267 PolarHBondContact N-O 3.33Å; T251-V268 WeakPolarHBondContact O-CA 3.35Å; T251-F269 PolarHBondContact O-N 3.02Å
252D95.9Very high96.5Very high23 Ų2341.9 Ų41.912%0.12323%0.226CC..  trans-70.7-10.2170.960.8-5.4000113K97 F215 I228 D254K97-D252 IonicContact NZ-OD2 3.28Å; K97-D252 PolarHBondContact NZ-OD2 3.18Å; F215-D252 HydrophobicContact CE1-CB 4.26Å; I228-D252 HydrophobicContact CD1-CB 4.33Å; D252-D254 PolarHBondContact OD1-N 2.58Å
253G95.2Very high96.5Very high19 Ų1945.8 Ų45.820%0.19624%0.244CC..SBendtrans91.5-1.5178.200000114.5T251 V268 I376T251-G253 PolarHBondContact O-N 2.01Å; T251-G253 PolarHBondContact OG1-N 3.35Å; T251-G253 VanDerWaalsContact OG1-N 3.13Å; G253-V268 VanDerWaalsContact CA-CG1 3.41Å; G253-I376 WeakPolarHBondContact O-CD1 3.23Å
254D93.6Very high96.5Very high69 Ų6941.1 Ų41.137%0.36922%0.218SC..SBendtrans-87.9-17.8177.7-76.1-8.2000112.1R95 D252 I376R95-D254 IonicContact NH1-OD1 2.75Å; R95-D254 PolarHBondContact NH1-OD1 2.86Å; R95-D254 IonicContact NH1-OD2 3.62Å; R95-D254 PolarHBondContact NH1-OD2 3.42Å; D252-D254 PolarHBondContact OD1-N 2.58Å; D254-I376 WeakPolarHBondContact O-CD1 3.38Å
255S93.9Very high96.6Very high21 Ų2138.3 Ų38.315%0.14721%0.211CC..  trans-155.5164172.660.10000112T226 T251T226-S255 WeakPolarHBondContact CG2-OG 3.46Å; T251-S255 WeakPolarHBondContact CB-O 3.38Å; T251-S255 PolarHBondContact OG1-O 3.3Å
256F97.6Very high96.6Very high5 Ų538.3 Ų38.32%0.02221%0.211CC..  trans-132165.3-179.9-62.9-86000110.8F225 I260 L266 V268 I279 V367 I369 G374 I376F225-F256 WeakPolarHBondContact CD1-O 3.49Å; F256-I260 HydrophobicContact CB-CD1 3.92Å; F256-L266 HydrophobicContact CD1-CB 4.03Å; F256-L266 HydrophobicContact CD1-CD1 3.87Å; F256-L266 HydrophobicContact CD1-CD2 4.22Å; F256-L266 HydrophobicContact CD1-CG 4.27Å; F256-L266 HydrophobicContact CE1-CB 3.86Å; F256-L266 HydrophobicContact CE1-CD1 4.11Å; F256-L266 HydrophobicContact CE1-CG 4.5Å; F256-L266 HydrophobicContact CG-CD1 4.25Å; F256-V268 HydrophobicContact CE1-CG2 3.74Å; F256-V268 HydrophobicContact CZ-CG2 3.87Å; F256-I279 HydrophobicContact CE1-CD1 4.12Å; F256-I279 HydrophobicContact CZ-CD1 3.78Å; F256-V367 HydrophobicContact CE2-CG2 4.34Å; F256-I369 HydrophobicContact CD2-CD1 3.48Å; F256-I369 VanDerWaalsContact CD2-CD1 3.48Å; F256-I369 HydrophobicContact CD2-CG1 4.03Å; F256-I369 HydrophobicContact CD2-CG2 4.34Å; F256-I369 HydrophobicContact CE2-CD1 3.56Å; F256-I369 HydrophobicContact CE2-CG1 4.15Å; F256-I369 HydrophobicContact CG-CD1 4.01Å; F256-I369 HydrophobicContact CZ-CD1 4.15Å; F256-G374 PolarHBondContact N-O 3.21Å; F256-I376 HydrophobicContact CD2-CD1 4.35Å; F256-I376 HydrophobicContact CD2-CG1 4.16Å; F256-I376 HydrophobicContact CE2-CD1 3.9Å; F256-I376 HydrophobicContact CE2-CG1 4.08Å
257H97.4Very high96.6Very high17 Ų1742.6 Ų42.68%0.07923%0.227CC..  trans-63.6153.4174.16684.1000111.6Y222 F225 I260 E264 G374Y222-H257 WeakPolarHBondContact O-CB 3.5Å; F225-H257 HydrophobicContact CB-CB 4.16Å; H257-I260 WeakPolarHBondContact O-CD1 3.22Å; H257-I260 WeakPolarHBondContact O-CG1 3.46Å; H257-E264 IonicContact CE1-OE1 3.38Å; H257-E264 IonicContact CE1-OE2 3.21Å; H257-E264 PolarHBondContact CE1-OE2 2.93Å; H257-E264 IonicContact NE2-OE2 3.9Å; H257-E264 PolarHBondContact NE2-OE2 3.13Å; H257-G374 WeakPolarHBondContact O-CA 3.21Å
258P96Very high96.7Very high0 Ų039 Ų390%021%0.209CC..SBendtrans-73.3172.8175.831.6-36.1000112.4I37 I41 Y222 I260 L372I37-P258 HydrophobicContact CG2-CB 3.72Å; I37-P258 HydrophobicContact CG2-CG 4.36Å; I41-P258 HydrophobicContact CB-CG 4.19Å; I41-P258 HydrophobicContact CD1-CB 3.93Å; I41-P258 HydrophobicContact CG2-CB 4.47Å; I41-P258 HydrophobicContact CG2-CG 4.16Å; Y222-P258 HydrophobicContact CD2-CG 3.79Å; Y222-P258 WeakPolarHBondContact CE2-O 3.44Å; Y222-P258 HydrophobicContact CG-CG 4.32Å; P258-I260 PolarHBondContact O-N 2.62Å; P258-L372 WeakPolarHBondContact CB-O 3.48Å
259L95.3Very high96.6Very high29 Ų2938.2 Ų38.215%0.15221%0.206CC..SBendtrans59.540.8176.7-50.4178.3000114.1D34 I37 E38 Y222 P371 L372D34-L259 HydrophobicContact CB-CD1 3.85Å; I37-L259 HydrophobicContact CG2-CD2 4.37Å; E38-L259 HydrophobicContact CG-CD1 4.12Å; Y222-L259 HydrophobicContact CE2-CB 4.04Å; Y222-L259 HydrophobicContact CE2-CD1 4.19Å; Y222-L259 HydrophobicContact CE2-CG 4.43Å; L259-P371 CarbonylContact C-O 3.55Å; L259-P371 VanDerWaalsContact CA-O 3.26Å; L259-P371 WeakPolarHBondContact CA-O 3.34Å; L259-P371 PolarHBondContact N-O 2.75Å; L259-L372 HydrophobicContact CD2-CD1 3.82Å; L259-L372 PolarHBondContact N-O 3.2Å
260I96.9Very high96.5Very high9 Ų936.9 Ų36.95%0.04620%0.199CC..  trans-64.9138.4178.3-57.9174.4000110.5F256 H257 P258 E264 L266 F293 Y295 I369 P371F256-I260 HydrophobicContact CB-CD1 3.92Å; H257-I260 WeakPolarHBondContact O-CD1 3.22Å; H257-I260 WeakPolarHBondContact O-CG1 3.46Å; P258-I260 PolarHBondContact O-N 2.62Å; I260-E264 WeakPolarHBondContact CA-OE1 3.24Å; I260-E264 HydrophobicContact CG2-CG 4.27Å; I260-L266 HydrophobicContact CD1-CD1 4.21Å; I260-L266 HydrophobicContact CG2-CD1 4.5Å; I260-F293 HydrophobicContact CG2-CD2 4.23Å; I260-F293 WeakPolarHBondContact O-CE2 3.47Å; I260-Y295 HydrophobicContact CG2-CE2 4.11Å; I260-Y295 WeakPolarHBondContact CG2-OH 3.32Å; I260-I369 HydrophobicContact CD1-CB 4.38Å; I260-I369 HydrophobicContact CD1-CD1 4.43Å; I260-I369 HydrophobicContact CD1-CG2 3.56Å; I260-P371 PolarHBondContact N-O 3.28Å
261T96Very high96.4Very high72 Ų7236.8 Ų36.844%0.44220%0.196SC..  trans-111.9147.4176.263.60000110.3D263 E264 Y295T261-D263 PolarHBondContact O-N 3Å; T261-D263 VanDerWaalsContact O-N 3.15Å; T261-E264 PolarHBondContact N-OE1 2.75Å; T261-E264 WeakPolarHBondContact O-CG 3.29Å; T261-E264 PolarHBondContact O-N 2.83Å; T261-E264 PolarHBondContact OG1-OE1 2.77Å; T261-Y295 PolarHBondContact O-OH 3.41Å
262K94.9Very high96Very high96 Ų9637.8 Ų37.842%0.41720%0.201SC..THydrogen-bonded Turntrans-64.9-19-178.568.1-176.2-177.4175.70114.6F281 Y284 F293K262-F281 HydrophobicContact CB-CD1 4.36Å; K262-F281 HydrophobicContact CB-CD2 3.95Å; K262-F281 HydrophobicContact CB-CE2 4.15Å; K262-F281 HydrophobicContact CB-CG 4.07Å; K262-F281 HydrophobicContact CB-CZ 4.45Å; K262-F281 VanDerWaalsContact O-CB 3.28Å; K262-F281 WeakPolarHBondContact O-CB 3.41Å; K262-Y284 WeakPolarHBondContact CD-OH 3.45Å; K262-F293 HydrophobicContact CB-CE2 4.31Å
263D95.3Very high95.9Very high138 Ų13837.5 Ų37.574%0.73820%0.199SC*.THydrogen-bonded Turntrans-89.1-8.5-172.8-55.7-47.7000111.9T261T261-D263 PolarHBondContact O-N 3Å; T261-D263 VanDerWaalsContact O-N 3.15Å
264E96.3Very high96Very high46 Ų4636.6 Ų36.622%0.21519%0.19CC..  trans-93.1155-178.882.4-167.79300113.4H257 I260 T261 L266 Y295H257-E264 IonicContact CE1-OE1 3.38Å; H257-E264 IonicContact CE1-OE2 3.21Å; H257-E264 PolarHBondContact CE1-OE2 2.93Å; H257-E264 IonicContact NE2-OE2 3.9Å; H257-E264 PolarHBondContact NE2-OE2 3.13Å; I260-E264 WeakPolarHBondContact CA-OE1 3.24Å; I260-E264 HydrophobicContact CG2-CG 4.27Å; T261-E264 PolarHBondContact N-OE1 2.75Å; T261-E264 WeakPolarHBondContact O-CG 3.29Å; T261-E264 PolarHBondContact O-N 2.83Å; T261-E264 PolarHBondContact OG1-OE1 2.77Å; E264-L266 HydrophobicContact CG-CD2 4.19Å; E264-Y295 WeakPolarHBondContact O-CE1 3.24Å; E264-Y295 PolarHBondContact O-OH 3.47Å
265V97.9Very high96.2Very high64 Ų6434.1 Ų34.139%0.38818%0.175SC..  trans-104.5129.9175.8176.80000108.4Y267 Y278 T280V265-Y267 HydrophobicContact CG1-CE2 4.22Å; V265-Y278 HydrophobicContact CG1-CD2 3.53Å; V265-Y278 HydrophobicContact CG1-CE2 4.47Å; V265-Y278 HydrophobicContact CG1-CG 3.73Å; V265-T280 HydrophobicContact CG2-CG2 4.26Å
266L98.6Very high96.4Very high6 Ų633.6 Ų33.63%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-100.2126.6179.8-58.3170.4000109.5F256 I260 E264 Y278 I279 Y295 I369F256-L266 HydrophobicContact CD1-CB 4.03Å; F256-L266 HydrophobicContact CD1-CD1 3.87Å; F256-L266 HydrophobicContact CD1-CD2 4.22Å; F256-L266 HydrophobicContact CD1-CG 4.27Å; F256-L266 HydrophobicContact CE1-CB 3.86Å; F256-L266 HydrophobicContact CE1-CD1 4.11Å; F256-L266 HydrophobicContact CE1-CG 4.5Å; F256-L266 HydrophobicContact CG-CD1 4.25Å; I260-L266 HydrophobicContact CD1-CD1 4.21Å; I260-L266 HydrophobicContact CG2-CD1 4.5Å; E264-L266 HydrophobicContact CG-CD2 4.19Å; L266-Y278 CarbonylContact O-C 3.4Å; L266-Y278 VanDerWaalsContact O-CA 3.23Å; L266-Y278 WeakPolarHBondContact O-CA 3.45Å; L266-I279 HydrophobicContact CB-CD1 4.12Å; L266-I279 HydrophobicContact CB-CG1 3.74Å; L266-I279 HydrophobicContact CD1-CD1 4.34Å; L266-I279 PolarHBondContact N-O 3.12Å; L266-I279 WeakPolarHBondContact O-CG1 3.31Å; L266-I279 PolarHBondContact O-N 3.14Å; L266-Y295 HydrophobicContact CD1-CD1 3.94Å; L266-Y295 HydrophobicContact CD1-CD2 4.11Å; L266-Y295 HydrophobicContact CD1-CE1 3.79Å; L266-Y295 HydrophobicContact CD1-CE2 3.95Å; L266-Y295 HydrophobicContact CD1-CG 4.11Å; L266-Y295 HydrophobicContact CG-CD1 4.31Å; L266-Y295 HydrophobicContact CG-CE1 3.92Å; L266-I369 HydrophobicContact CD1-CD1 3.49Å; L266-I369 VanDerWaalsContact CD1-CD1 3.49Å
267Y98.6Very high96.4Very high105 Ų10534 Ų3441%0.41217%0.174SC..EExtended strand (participates in β ladder)trans-93.8147.3175.9-75.5-92.1000111N249 G250 T251 V265 V277 Y278N249-Y267 HydrophobicContact CB-CD1 3.71Å; N249-Y267 HydrophobicContact CB-CE1 4.49Å; N249-Y267 HydrophobicContact CB-CG 3.92Å; G250-Y267 VanDerWaalsContact CA-O 3.32Å; G250-Y267 WeakPolarHBondContact CA-O 3.41Å; T251-Y267 PolarHBondContact N-O 3.33Å; V265-Y267 HydrophobicContact CG1-CE2 4.22Å; Y267-V277 WeakPolarHBondContact CA-O 3.38Å; Y267-Y278 HydrophobicContact CE1-CD1 4.07Å; Y267-Y278 HydrophobicContact CE1-CG 4.36Å
268V98.4Very high96.4Very high15 Ų1536.2 Ų36.29%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-140.7140.5178.1-176.60000109N249 T251 G253 F256 P270 S276 V277N249-V268 CarbonylContact O-C 3.47Å; T251-V268 WeakPolarHBondContact O-CA 3.35Å; G253-V268 VanDerWaalsContact CA-CG1 3.41Å; F256-V268 HydrophobicContact CE1-CG2 3.74Å; F256-V268 HydrophobicContact CZ-CG2 3.87Å; V268-P270 VanDerWaalsContact C-CD 3.46Å; V268-P270 WeakPolarHBondContact O-CD 3.42Å; V268-S276 WeakPolarHBondContact O-CA 3.21Å; V268-V277 HydrophobicContact CB-CG2 4.28Å; V268-V277 PolarHBondContact N-O 3.44Å; V268-V277 PolarHBondContact O-N 2.79Å
269F98.3Very high96.6Very high1 Ų136.8 Ų36.80%0.00419%0.185CC..  trans-109.488.5169.9177.6-109.7000110.8Y213 I228 W231 L237 I248 T251 S271Y213-F269 HydrophobicContact CE1-CD1 4.49Å; I228-F269 HydrophobicContact CD1-CB 3.91Å; I228-F269 HydrophobicContact CD1-CD1 4.02Å; I228-F269 HydrophobicContact CD1-CG 4.46Å; W231-F269 HydrophobicContact CB-CE1 4.4Å; W231-F269 AromaticContact CD2-CE1 3.83Å; W231-F269 HydrophobicContact CD2-CE1 3.83Å; W231-F269 HydrophobicContact CD2-CZ 4.18Å; W231-F269 HydrophobicContact CE3-CE1 4.01Å; W231-F269 AromaticContact CE3-CZ 3.89Å; W231-F269 HydrophobicContact CE3-CZ 3.89Å; W231-F269 HydrophobicContact CG-CE1 4.02Å; W231-F269 HydrophobicContact CZ3-CZ 4.18Å; L237-F269 HydrophobicContact CD1-CE2 3.96Å; L237-F269 HydrophobicContact CD2-CE2 3.93Å; L237-F269 HydrophobicContact CD2-CZ 3.82Å; L237-F269 HydrophobicContact CG-CE2 4.36Å; I248-F269 HydrophobicContact CG1-CD2 4.47Å; I248-F269 HydrophobicContact CG1-CE2 4.4Å; I248-F269 HydrophobicContact CG2-CB 4.07Å; I248-F269 HydrophobicContact CG2-CD1 3.99Å; I248-F269 HydrophobicContact CG2-CD2 4.32Å; I248-F269 HydrophobicContact CG2-CG 3.84Å; T251-F269 PolarHBondContact O-N 3.02Å; F269-S271 PolarHBondContact O-N 3.28Å
270P96Very high96.7Very high17 Ų1737.5 Ų37.511%0.1119%0.191CC..  trans-78.9104.4171.129.2-30.1000110.3V268 D272 F273 C274 R275 V277V268-P270 VanDerWaalsContact C-CD 3.46Å; V268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-D272 VanDerWaalsContact C-N 3.26Å; P270-D272 PolarHBondContact O-N 2.95Å; P270-F273 HydrophobicContact CB-CB 4.08Å; P270-F273 HydrophobicContact CG-CB 3.71Å; P270-F273 HydrophobicContact CG-CG 4.5Å; P270-F273 WeakPolarHBondContact O-CB 3.32Å; P270-F273 PolarHBondContact O-N 2.98Å; P270-C274 PolarHBondContact O-N 3.34Å; P270-R275 WeakPolarHBondContact CD-O 2.97Å; P270-V277 HydrophobicContact CG-CG2 4.01Å
271S93.8Very high96.8Very high14 Ų1439.7 Ų39.710%0.09820%0.2CC..G310 helixtrans-50.9-41.4-178.960.60000113.4D210 Y213 F269 F273 C274D210-S271 VanDerWaalsContact OD2-CB 3.32Å; D210-S271 WeakPolarHBondContact OD2-CB 3.26Å; D210-S271 PolarHBondContact OD2-OG 3.2Å; Y213-S271 WeakPolarHBondContact OH-CB 3.02Å; F269-S271 PolarHBondContact O-N 3.28Å; S271-F273 PolarHBondContact O-N 2.99Å; S271-C274 PolarHBondContact O-N 2.91Å; S271-C274 VanDerWaalsContact O-N 3.07Å
272D90.7Very high96.9Very high27 Ų2738 Ų3814%0.14419%0.192CC..G310 helixtrans-64-25.8178.8-74.6-42.4000113.8K205 P270 K330K205-D272 IonicContact NZ-OD1 3.35Å; K205-D272 PolarHBondContact NZ-OD1 2.98Å; P270-D272 VanDerWaalsContact C-N 3.26Å; P270-D272 PolarHBondContact O-N 2.95Å; D272-K330 PolarHBondContact O-NZ 2.95Å; D272-K330 VanDerWaalsContact O-NZ 3.16Å
273F93.8Very high97Very high17 Ų1737 Ų378%0.07519%0.19CC..G310 helixtrans-89.2-6.2177.8-147.5-110.6000113.1P270 S271 R275 V277 L302 L324 M337 F383P270-F273 HydrophobicContact CB-CB 4.08Å; P270-F273 HydrophobicContact CG-CB 3.71Å; P270-F273 HydrophobicContact CG-CG 4.5Å; P270-F273 WeakPolarHBondContact O-CB 3.32Å; P270-F273 PolarHBondContact O-N 2.98Å; S271-F273 PolarHBondContact O-N 2.99Å; F273-R275 HydrophobicContact CD1-CG 3.98Å; F273-R275 PolarHBondContact O-N 3.21Å; F273-R275 VanDerWaalsContact O-N 3.13Å; F273-V277 HydrophobicContact CD1-CG1 3.98Å; F273-V277 HydrophobicContact CE1-CG1 4.19Å; F273-L302 HydrophobicContact CE1-CD2 4.01Å; F273-L302 HydrophobicContact CZ-CD1 4.19Å; F273-L302 HydrophobicContact CZ-CD2 4.08Å; F273-L324 HydrophobicContact CD1-CD2 4.2Å; F273-L324 HydrophobicContact CE1-CD2 3.99Å; F273-M337 HydrophobicContact CD2-CB 4.31Å; F273-M337 HydrophobicContact CD2-CE 3.59Å; F273-M337 HydrophobicContact CD2-CG 4.39Å; F273-M337 HydrophobicContact CE2-CB 3.76Å; F273-M337 HydrophobicContact CE2-CE 3.99Å; F273-M337 HydrophobicContact CE2-CG 4.32Å; F273-M337 HydrophobicContact CZ-CB 4.24Å; F273-F383 HydrophobicContact CE2-CB 4.31Å
274C96.3Very high97.1Very high1 Ų137.4 Ų37.41%0.00718%0.183CC..THydrogen-bonded Turntrans62.215.5173.2-53.20000116.9W239 W240 P270 S271 V326 C329W239-C274 HydrophobicContact CE3-CB 3.93Å; W239-C274 HydrophobicContact CH2-CB 4.46Å; W239-C274 HydrophobicContact CZ3-CB 3.56Å; W239-C274 WeakPolarHBondContact CZ3-O 3.46Å; W240-C274 HydrophobicContact CZ2-CB 4.16Å; W240-C274 VanDerWaalsContact CZ2-O 3.3Å; W240-C274 WeakPolarHBondContact CZ2-O 3.34Å; W240-C274 PolarHBondContact NE1-O 2.89Å; P270-C274 PolarHBondContact O-N 3.34Å; S271-C274 PolarHBondContact O-N 2.91Å; S271-C274 VanDerWaalsContact O-N 3.07Å; C274-V326 HydrophobicContact CB-CG1 4.49Å; C274-C329 HydrophobicContact CB-CB 3.65Å; C274-C329 WeakPolarHBondContact CB-SG 3.3Å; C274-C329 WeakPolarHBondContact SG-CB 3.3Å; C274-C329 CovalentContact SG-SG 2.01Å; C274-C329 PolarHBondContact SG-SG 2.92Å
275R97.5Very high97.2Very high16 Ų1638.1 Ų38.16%0.0619%0.186CC..SBendtrans-156.5160.6174.160.8170.9-73.9-175.1-1.7110.8W240 P270 F273 V277 I301 N308 F311 L324W240-R275 HydrophobicContact CZ2-CB 4.4Å; P270-R275 WeakPolarHBondContact CD-O 2.97Å; F273-R275 HydrophobicContact CD1-CG 3.98Å; F273-R275 PolarHBondContact O-N 3.21Å; F273-R275 VanDerWaalsContact O-N 3.13Å; R275-V277 HydrophobicContact CG-CG1 4.4Å; R275-I301 PolarHBondContact NH1-O 2.87Å; R275-I301 VanDerWaalsContact NH1-O 3.16Å; R275-N308 PolarHBondContact NH2-OD1 3.33Å; R275-F311 HydrophobicContact CB-CD1 4.31Å; R275-F311 HydrophobicContact CB-CE1 3.66Å; R275-F311 HydrophobicContact CB-CZ 4.34Å; R275-F311 HydrophobicContact CG-CE1 4.3Å; R275-F311 VanDerWaalsContact CZ-CD2 3.48Å; R275-F311 VanDerWaalsContact NE-CZ 3.29Å; R275-L324 HydrophobicContact CG-CD2 4Å
276S98.3Very high97.1Very high10 Ų1038.9 Ų38.97%0.0720%0.195CC..  trans-70.1143.5165.9-56.90000110.9M247 I248 N249 V268M247-S276 WeakPolarHBondContact O-CB 3.23Å; M247-S276 PolarHBondContact O-OG 3.48Å; I248-S276 WeakPolarHBondContact CA-OG 3.33Å; N249-S276 PolarHBondContact N-OG 2.92Å; V268-S276 WeakPolarHBondContact O-CA 3.21Å
277V98.2Very high97Very high14 Ų1439 Ų399%0.08520%0.195CC..EExtended strand (participates in β ladder)trans-129.5168.5173.8-60.30000109.4Y267 V268 P270 F273 R275 I301Y267-V277 WeakPolarHBondContact CA-O 3.38Å; V268-V277 HydrophobicContact CB-CG2 4.28Å; V268-V277 PolarHBondContact N-O 3.44Å; V268-V277 PolarHBondContact O-N 2.79Å; P270-V277 HydrophobicContact CG-CG2 4.01Å; F273-V277 HydrophobicContact CD1-CG1 3.98Å; F273-V277 HydrophobicContact CE1-CG1 4.19Å; R275-V277 HydrophobicContact CG-CG1 4.4Å; V277-I301 HydrophobicContact CB-CD1 4.45Å; V277-I301 HydrophobicContact CB-CG2 4.13Å; V277-I301 HydrophobicContact CG1-CG2 3.7Å
278Y98.3Very high96.8Very high64 Ų6437.9 Ų37.925%0.25119%0.194SC..EExtended strand (participates in β ladder)trans-131.3156.6170.966.5-97.8000111V265 L266 Y267 T280 P298 I301V265-Y278 HydrophobicContact CG1-CD2 3.53Å; V265-Y278 HydrophobicContact CG1-CE2 4.47Å; V265-Y278 HydrophobicContact CG1-CG 3.73Å; L266-Y278 CarbonylContact O-C 3.4Å; L266-Y278 VanDerWaalsContact O-CA 3.23Å; L266-Y278 WeakPolarHBondContact O-CA 3.45Å; Y267-Y278 HydrophobicContact CE1-CD1 4.07Å; Y267-Y278 HydrophobicContact CE1-CG 4.36Å; Y278-T280 HydrophobicContact CD2-CG2 3.93Å; Y278-T280 HydrophobicContact CE2-CG2 3.89Å; Y278-P298 HydrophobicContact CD2-CG 4.03Å; Y278-P298 HydrophobicContact CE2-CG 3.46Å; Y278-P298 VanDerWaalsContact CE2-CG 3.46Å; Y278-P298 WeakPolarHBondContact O-CD 3.4Å; Y278-I301 HydrophobicContact CD1-CD1 3.27Å; Y278-I301 HydrophobicContact CD2-CD1 4.05Å; Y278-I301 HydrophobicContact CE1-CD1 3.21Å; Y278-I301 HydrophobicContact CE1-CG1 4.48Å; Y278-I301 HydrophobicContact CE2-CD1 4.01Å; Y278-I301 HydrophobicContact CG-CD1 3.68Å
279I98.6Very high96.5Very high11 Ų1139.4 Ų39.46%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-122.7144.5176.657.4-179.4000109.3F256 L266 Y295 K296 V297 V367F256-I279 HydrophobicContact CE1-CD1 4.12Å; F256-I279 HydrophobicContact CZ-CD1 3.78Å; L266-I279 HydrophobicContact CB-CD1 4.12Å; L266-I279 HydrophobicContact CB-CG1 3.74Å; L266-I279 HydrophobicContact CD1-CD1 4.34Å; L266-I279 PolarHBondContact N-O 3.12Å; L266-I279 WeakPolarHBondContact O-CG1 3.31Å; L266-I279 PolarHBondContact O-N 3.14Å; I279-Y295 HydrophobicContact CB-CD1 4.41Å; I279-Y295 HydrophobicContact CD1-CD1 4.41Å; I279-Y295 HydrophobicContact CD1-CG 4.26Å; I279-Y295 HydrophobicContact CG1-CD1 3.97Å; I279-Y295 HydrophobicContact CG1-CG 4.29Å; I279-K296 CarbonylContact C-O 3.44Å; I279-K296 VanDerWaalsContact CA-O 3.24Å; I279-K296 WeakPolarHBondContact CA-O 3.36Å; I279-K296 WeakPolarHBondContact CB-O 3.01Å; I279-V297 HydrophobicContact CG2-CG2 3.71Å; I279-V367 HydrophobicContact CD1-CG1 3.44Å; I279-V367 VanDerWaalsContact CD1-CG1 3.44Å
280T98.6Very high96.4Very high44 Ų4439.4 Ų39.427%0.2721%0.212SC..EExtended strand (participates in β ladder)trans-118.8151.4-177.755.20000110.9V265 Y278 S282 Y295 K296 P298V265-T280 HydrophobicContact CG2-CG2 4.26Å; Y278-T280 HydrophobicContact CD2-CG2 3.93Å; Y278-T280 HydrophobicContact CE2-CG2 3.89Å; T280-S282 PolarHBondContact O-N 3.2Å; T280-Y295 CarbonylContact O-C 3.56Å; T280-Y295 VanDerWaalsContact O-CA 3.25Å; T280-Y295 WeakPolarHBondContact O-CA 3.25Å; T280-K296 PolarHBondContact N-O 3.39Å; T280-K296 PolarHBondContact O-N 2.83Å; T280-P298 HydrophobicContact CG2-CG 4.13Å
281F98.6Very high96.4Very high56 Ų5641.8 Ų41.825%0.24623%0.228CC..EExtended strand (participates in β ladder)trans-60133.3176.1175.4-92.1000110.6K262 D283 Y284 F293 Y295K262-F281 HydrophobicContact CB-CD1 4.36Å; K262-F281 HydrophobicContact CB-CD2 3.95Å; K262-F281 HydrophobicContact CB-CE2 4.15Å; K262-F281 HydrophobicContact CB-CG 4.07Å; K262-F281 HydrophobicContact CB-CZ 4.45Å; K262-F281 VanDerWaalsContact O-CB 3.28Å; K262-F281 WeakPolarHBondContact O-CB 3.41Å; F281-D283 WeakPolarHBondContact CE2-O 3.28Å; F281-Y284 HydrophobicContact CE1-CE2 4.46Å; F281-Y284 HydrophobicContact CE2-CE1 4.45Å; F281-Y284 HydrophobicContact CZ-CD1 4.35Å; F281-Y284 AromaticContact CZ-CD2 3.99Å; F281-Y284 HydrophobicContact CZ-CD2 3.99Å; F281-Y284 HydrophobicContact CZ-CE1 4.2Å; F281-Y284 AromaticContact CZ-CE2 3.8Å; F281-Y284 HydrophobicContact CZ-CE2 3.8Å; F281-Y284 HydrophobicContact CZ-CG 4.25Å; F281-Y284 AromaticContact CZ-CZ 3.91Å; F281-F293 HydrophobicContact CD2-CB 3.98Å; F281-F293 HydrophobicContact CD2-CD2 4.46Å; F281-F293 HydrophobicContact CD2-CG 4.1Å; F281-F293 HydrophobicContact CE2-CB 4Å; F281-F293 AromaticContact CE2-CD1 3.9Å; F281-F293 HydrophobicContact CE2-CD1 3.9Å; F281-F293 AromaticContact CE2-CG 3.9Å; F281-F293 HydrophobicContact CE2-CG 3.9Å; F281-Y295 HydrophobicContact CB-CE1 4.17Å
282S97.8Very high96.6Very high37 Ų3741.2 Ų41.226%0.25922%0.224SC..EExtended strand (participates in β ladder)trans-110.6-66.2175.9-173.20000110T280 R294 K296T280-S282 PolarHBondContact O-N 3.2Å; S282-R294 WeakPolarHBondContact CB-O 3.45Å; S282-R294 PolarHBondContact N-O 3.13Å; S282-K296 WeakPolarHBondContact OG-CD 3.47Å; S282-K296 WeakPolarHBondContact OG-CE 3.45Å
283D97Very high97Very high73 Ų7341.3 Ų41.339%0.3922%0.223SC..EExtended strand (participates in β ladder)trans-147.6165.7-166.9-53.5-74.2000112.3F281 R294F281-D283 WeakPolarHBondContact CE2-O 3.28Å; D283-R294 PolarHBondContact N-O 3.06Å; D283-R294 PolarHBondContact O-N 3.17Å
284Y98.1Very high97.2Very high148 Ų14841.8 Ų41.858%0.5822%0.224SC*.EExtended strand (participates in β ladder)trans-89.3134.2169.3-60.5-87.3000110.4K262 F281 F293K262-Y284 WeakPolarHBondContact CD-OH 3.45Å; F281-Y284 HydrophobicContact CE1-CE2 4.46Å; F281-Y284 HydrophobicContact CE2-CE1 4.45Å; F281-Y284 HydrophobicContact CZ-CD1 4.35Å; F281-Y284 AromaticContact CZ-CD2 3.99Å; F281-Y284 HydrophobicContact CZ-CD2 3.99Å; F281-Y284 HydrophobicContact CZ-CE1 4.2Å; F281-Y284 AromaticContact CZ-CE2 3.8Å; F281-Y284 HydrophobicContact CZ-CE2 3.8Å; F281-Y284 HydrophobicContact CZ-CG 4.25Å; F281-Y284 AromaticContact CZ-CZ 3.91Å; Y284-F293 AromaticContact CD1-CD1 3.87Å; Y284-F293 HydrophobicContact CD1-CD1 3.87Å; Y284-F293 AromaticContact CD1-CE1 3.65Å; Y284-F293 HydrophobicContact CD1-CE1 3.65Å; Y284-F293 HydrophobicContact CE1-CD1 4.07Å; Y284-F293 AromaticContact CE1-CE1 3.5Å; Y284-F293 HydrophobicContact CE1-CE1 3.5Å; Y284-F293 VanDerWaalsContact CE1-CE1 3.5Å; Y284-F293 HydrophobicContact CE1-CZ 4.3Å
285E98Very high97.3Very high61 Ų6141.7 Ų41.729%0.28522%0.224SC..EExtended strand (participates in β ladder)trans-131162.8-177-73.9-76.5157.400111.6A292 R294E285-A292 HydrophobicContact CB-CB 4.18Å; E285-A292 PolarHBondContact N-O 2.99Å; E285-A292 PolarHBondContact O-N 2.87Å; E285-R294 VanDerWaalsContact CD-NH1 3.26Å; E285-R294 HydrophobicContact CG-CB 3.89Å; E285-R294 IonicContact OE1-CZ 3.66Å; E285-R294 VanDerWaalsContact OE1-CZ 3.25Å; E285-R294 IonicContact OE1-NH1 3.95Å; E285-R294 PolarHBondContact OE1-NH1 2.79Å; E285-R294 IonicContact OE1-NH2 3.91Å; E285-R294 PolarHBondContact OE1-NH2 2.02Å; E285-R294 IonicContact OE2-CZ 2.64Å; E285-R294 IonicContact OE2-NH1 3.59Å; E285-R294 IonicContact OE2-NH2 3.12Å; E285-R294 PolarHBondContact OE2-NH2 3.12Å
286S96.8Very high97.4Very high80 Ų8042 Ų4256%0.55923%0.226SC*.EExtended strand (participates in β ladder)trans-129121.7168.8-1690000111.2G289 L290S286-G289 WeakPolarHBondContact OG-CA 3.15Å; S286-L290 VanDerWaalsContact CA-O 3.26Å; S286-L290 WeakPolarHBondContact CA-O 3.43Å; S286-L290 PolarHBondContact OG-O 2.91Å
287V96.4Very high97.4Very high7 Ų742.2 Ų42.24%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-116.6117.7-179.7-176.80000108.2G289 L290 A292 D368 L377 K378 L416 I417V287-G289 PolarHBondContact O-N 2.94Å; V287-G289 VanDerWaalsContact O-N 3.07Å; V287-L290 PolarHBondContact N-O 2.86Å; V287-L290 VanDerWaalsContact O-CB 3.29Å; V287-L290 WeakPolarHBondContact O-CB 3.11Å; V287-L290 PolarHBondContact O-N 3.49Å; V287-A292 HydrophobicContact CG2-CB 4.39Å; V287-D368 HydrophobicContact CG2-CB 4.1Å; V287-L377 HydrophobicContact CB-CB 3.98Å; V287-L377 HydrophobicContact CB-CD1 4.24Å; V287-L377 HydrophobicContact CG1-CB 4Å; V287-L377 HydrophobicContact CG2-CB 4.31Å; V287-K378 HydrophobicContact CG1-CB 4.13Å; V287-K378 HydrophobicContact CG2-CB 4.08Å; V287-L416 HydrophobicContact CG1-CD1 3.85Å; V287-I417 HydrophobicContact CG1-CG2 3.82Å
288Q93.9Very high97.4Very high83 Ų8342.3 Ų42.339%0.38823%0.228SC..THydrogen-bonded Turntrans5328.7-175.3-56.4-63.7-16.800113.8L290 I417 A422Q288-L290 VanDerWaalsContact C-N 3.31Å; Q288-I417 HydrophobicContact CG-CG2 3.93Å; Q288-A422 HydrophobicContact CB-CB 3.68Å; Q288-A422 HydrophobicContact CG-CB 4.09Å
289G92.6Very high97.4Very high46 Ų4641.2 Ų41.247%0.47423%0.231SC..THydrogen-bonded Turntrans76.613.1-177.100000114.9S286 V287S286-G289 WeakPolarHBondContact OG-CA 3.15Å; V287-G289 PolarHBondContact O-N 2.94Å; V287-G289 VanDerWaalsContact O-N 3.07Å
290L95.3Very high97.3Very high1 Ų145.9 Ų45.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-94.5143.3168.4-61.8171.5000109.5S286 V287 Q288 L377 I417 A422 L425 K426 I429S286-L290 VanDerWaalsContact CA-O 3.26Å; S286-L290 WeakPolarHBondContact CA-O 3.43Å; S286-L290 PolarHBondContact OG-O 2.91Å; V287-L290 PolarHBondContact N-O 2.86Å; V287-L290 VanDerWaalsContact O-CB 3.29Å; V287-L290 WeakPolarHBondContact O-CB 3.11Å; V287-L290 PolarHBondContact O-N 3.49Å; Q288-L290 VanDerWaalsContact C-N 3.31Å; L290-L377 HydrophobicContact CB-CD1 3.72Å; L290-L377 HydrophobicContact CD1-CD1 4.09Å; L290-L377 HydrophobicContact CD1-CD2 3.91Å; L290-I417 HydrophobicContact CD1-CD1 4.27Å; L290-A422 HydrophobicContact CD1-CB 4.17Å; L290-L425 HydrophobicContact CD1-CB 4.31Å; L290-L425 HydrophobicContact CD1-CD2 3.85Å; L290-L425 HydrophobicContact CD1-CG 4.14Å; L290-L425 HydrophobicContact CD2-CG 4.47Å; L290-K426 HydrophobicContact CD2-CB 3.72Å; L290-K426 HydrophobicContact CD2-CG 4.12Å; L290-I429 HydrophobicContact CD2-CD1 3.69Å
291P95.9Very high97.3Very high67 Ų6743.9 Ų43.944%0.43524%0.241SC..EExtended strand (participates in β ladder)trans-72140.417330.4-33.4000110.3N370 P371P291-N370 PolarHBondContact O-ND2 2.97Å; P291-P371 WeakPolarHBondContact O-CD 3.41Å
292A98Very high97.2Very high2 Ų241.6 Ų41.62%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-138147.1176.300000111.4E285 V287 D368 I369 L377E285-A292 HydrophobicContact CB-CB 4.18Å; E285-A292 PolarHBondContact N-O 2.99Å; E285-A292 PolarHBondContact O-N 2.87Å; V287-A292 HydrophobicContact CG2-CB 4.39Å; A292-D368 HydrophobicContact CB-CB 3.94Å; A292-I369 CarbonylContact C-O 3.56Å; A292-I369 VanDerWaalsContact CA-O 3.27Å; A292-I369 WeakPolarHBondContact CA-O 3.28Å; A292-L377 HydrophobicContact CB-CD1 4.14Å
293F98.6Very high97.2Very high29 Ų2941 Ų4113%0.12723%0.228CC..EExtended strand (participates in β ladder)trans-96124.3162.4-68.2-12.5000108.4I260 K262 F281 Y284 Y295 D368 I369 P371I260-F293 HydrophobicContact CG2-CD2 4.23Å; I260-F293 WeakPolarHBondContact O-CE2 3.47Å; K262-F293 HydrophobicContact CB-CE2 4.31Å; F281-F293 HydrophobicContact CD2-CB 3.98Å; F281-F293 HydrophobicContact CD2-CD2 4.46Å; F281-F293 HydrophobicContact CD2-CG 4.1Å; F281-F293 HydrophobicContact CE2-CB 4Å; F281-F293 AromaticContact CE2-CD1 3.9Å; F281-F293 HydrophobicContact CE2-CD1 3.9Å; F281-F293 AromaticContact CE2-CG 3.9Å; F281-F293 HydrophobicContact CE2-CG 3.9Å; Y284-F293 AromaticContact CD1-CD1 3.87Å; Y284-F293 HydrophobicContact CD1-CD1 3.87Å; Y284-F293 AromaticContact CD1-CE1 3.65Å; Y284-F293 HydrophobicContact CD1-CE1 3.65Å; Y284-F293 HydrophobicContact CE1-CD1 4.07Å; Y284-F293 AromaticContact CE1-CE1 3.5Å; Y284-F293 HydrophobicContact CE1-CE1 3.5Å; Y284-F293 VanDerWaalsContact CE1-CE1 3.5Å; Y284-F293 HydrophobicContact CE1-CZ 4.3Å; F293-Y295 HydrophobicContact CB-CD2 4.06Å; F293-Y295 HydrophobicContact CB-CE2 3.7Å; F293-Y295 HydrophobicContact CD2-CE2 4.32Å; F293-Y295 PolarHBondContact O-N 3.44Å; F293-D368 WeakPolarHBondContact O-CA 3.35Å; F293-I369 PolarHBondContact N-O 2.95Å; F293-I369 PolarHBondContact O-N 3.16Å; F293-P371 HydrophobicContact CD1-CB 4.48Å; F293-P371 HydrophobicContact CD1-CG 4.42Å; F293-P371 HydrophobicContact CD2-CB 3.79Å; F293-P371 HydrophobicContact CE1-CB 4.24Å; F293-P371 HydrophobicContact CE1-CG 4.16Å; F293-P371 HydrophobicContact CE2-CB 3.52Å; F293-P371 HydrophobicContact CE2-CG 4.32Å; F293-P371 HydrophobicContact CG-CB 4.26Å; F293-P371 HydrophobicContact CZ-CB 3.77Å; F293-P371 HydrophobicContact CZ-CG 4.11Å
294R98.7Very high97.1Very high27 Ų2741.9 Ų41.910%0.10223%0.233CC..EExtended strand (participates in β ladder)trans-82.7115.7171.5180160.9-71.6149.212.2108.8S282 D283 E285 K296 F366 V367 D368S282-R294 WeakPolarHBondContact CB-O 3.45Å; S282-R294 PolarHBondContact N-O 3.13Å; D283-R294 PolarHBondContact N-O 3.06Å; D283-R294 PolarHBondContact O-N 3.17Å; E285-R294 VanDerWaalsContact CD-NH1 3.26Å; E285-R294 HydrophobicContact CG-CB 3.89Å; E285-R294 IonicContact OE1-CZ 3.66Å; E285-R294 VanDerWaalsContact OE1-CZ 3.25Å; E285-R294 IonicContact OE1-NH1 3.95Å; E285-R294 PolarHBondContact OE1-NH1 2.79Å; E285-R294 IonicContact OE1-NH2 3.91Å; E285-R294 PolarHBondContact OE1-NH2 2.02Å; E285-R294 IonicContact OE2-CZ 2.64Å; E285-R294 IonicContact OE2-NH1 3.59Å; E285-R294 IonicContact OE2-NH2 3.12Å; E285-R294 PolarHBondContact OE2-NH2 3.12Å; R294-K296 HydrophobicContact CG-CG 4.17Å; R294-F366 HydrophobicContact CG-CB 4.2Å; R294-F366 HydrophobicContact CG-CD2 4.48Å; R294-V367 WeakPolarHBondContact CA-O 3.39Å; R294-D368 VanDerWaalsContact CB-OD1 3.31Å; R294-D368 WeakPolarHBondContact CB-OD1 3.27Å; R294-D368 WeakPolarHBondContact CG-OD1 3.47Å; R294-D368 IonicContact CZ-OD1 2.85Å; R294-D368 IonicContact CZ-OD2 3.57Å; R294-D368 IonicContact NE-OD1 3.48Å; R294-D368 PolarHBondContact NE-OD1 3.38Å; R294-D368 IonicContact NE-OD2 3.59Å; R294-D368 IonicContact NH2-OD1 3.49Å; R294-D368 PolarHBondContact NH2-OD1 3Å; R294-D368 IonicContact NH2-OD2 3.89Å; R294-D368 PolarHBondContact NH2-OD2 3.12Å
295Y98.8Very high96.9Very high0 Ų037.5 Ų37.50%022%0.221CC..EExtended strand (participates in β ladder)trans-100.8145.6168.1-79.1-102.3000110I260 T261 E264 L266 I279 T280 F281 F293 F366 V367 I369I260-Y295 HydrophobicContact CG2-CE2 4.11Å; I260-Y295 WeakPolarHBondContact CG2-OH 3.32Å; T261-Y295 PolarHBondContact O-OH 3.41Å; E264-Y295 WeakPolarHBondContact O-CE1 3.24Å; E264-Y295 PolarHBondContact O-OH 3.47Å; L266-Y295 HydrophobicContact CD1-CD1 3.94Å; L266-Y295 HydrophobicContact CD1-CD2 4.11Å; L266-Y295 HydrophobicContact CD1-CE1 3.79Å; L266-Y295 HydrophobicContact CD1-CE2 3.95Å; L266-Y295 HydrophobicContact CD1-CG 4.11Å; L266-Y295 HydrophobicContact CG-CD1 4.31Å; L266-Y295 HydrophobicContact CG-CE1 3.92Å; I279-Y295 HydrophobicContact CB-CD1 4.41Å; I279-Y295 HydrophobicContact CD1-CD1 4.41Å; I279-Y295 HydrophobicContact CD1-CG 4.26Å; I279-Y295 HydrophobicContact CG1-CD1 3.97Å; I279-Y295 HydrophobicContact CG1-CG 4.29Å; T280-Y295 CarbonylContact O-C 3.56Å; T280-Y295 VanDerWaalsContact O-CA 3.25Å; T280-Y295 WeakPolarHBondContact O-CA 3.25Å; F281-Y295 HydrophobicContact CB-CE1 4.17Å; F293-Y295 HydrophobicContact CB-CD2 4.06Å; F293-Y295 HydrophobicContact CB-CE2 3.7Å; F293-Y295 HydrophobicContact CD2-CE2 4.32Å; F293-Y295 PolarHBondContact O-N 3.44Å; Y295-F366 CarbonylContact O-C 3.43Å; Y295-F366 VanDerWaalsContact O-CA 3.24Å; Y295-F366 WeakPolarHBondContact O-CA 3.41Å; Y295-V367 PolarHBondContact N-O 2.87Å; Y295-V367 PolarHBondContact O-N 2.91Å; Y295-I369 HydrophobicContact CD2-CD1 3.94Å; Y295-I369 HydrophobicContact CE2-CD1 4.5Å; Y295-I369 HydrophobicContact CG-CD1 4.41Å
296K98.6Very high96.6Very high22 Ų2239.8 Ų39.810%0.09624%0.244CC..EExtended strand (participates in β ladder)trans-132.8155.9-179.7-63.3-175.4177.7-171.50110.8I279 T280 S282 R294 P298 E364 T365 F366I279-K296 CarbonylContact C-O 3.44Å; I279-K296 VanDerWaalsContact CA-O 3.24Å; I279-K296 WeakPolarHBondContact CA-O 3.36Å; I279-K296 WeakPolarHBondContact CB-O 3.01Å; T280-K296 PolarHBondContact N-O 3.39Å; T280-K296 PolarHBondContact O-N 2.83Å; S282-K296 WeakPolarHBondContact OG-CD 3.47Å; S282-K296 WeakPolarHBondContact OG-CE 3.45Å; R294-K296 HydrophobicContact CG-CG 4.17Å; K296-P298 WeakPolarHBondContact O-CD 3.02Å; K296-E364 VanDerWaalsContact CD-OE2 3.26Å; K296-E364 WeakPolarHBondContact CD-OE2 3.4Å; K296-E364 WeakPolarHBondContact CE-OE1 3.32Å; K296-E364 VanDerWaalsContact CE-OE2 3.25Å; K296-E364 WeakPolarHBondContact CE-OE2 3.42Å; K296-E364 IonicContact NZ-OE1 2.74Å; K296-E364 PolarHBondContact NZ-OE1 2.97Å; K296-E364 IonicContact NZ-OE2 3.68Å; K296-E364 PolarHBondContact NZ-OE2 3.25Å; K296-T365 WeakPolarHBondContact CA-O 3.45Å; K296-F366 HydrophobicContact CG-CB 3.99Å
297V98.5Very high96.5Very high14 Ų1440.7 Ų40.79%0.08524%0.243CC..  trans-76.7118.1168.7-175.80000108.7I279 I301 F339 Q344 T365I279-V297 HydrophobicContact CG2-CG2 3.71Å; V297-I301 HydrophobicContact CG1-CB 3.99Å; V297-I301 HydrophobicContact CG1-CG1 3.69Å; V297-I301 HydrophobicContact CG1-CG2 4.31Å; V297-F339 HydrophobicContact CB-CZ 3.94Å; V297-F339 HydrophobicContact CG1-CE2 4.27Å; V297-F339 HydrophobicContact CG1-CZ 3.58Å; V297-Q344 PolarHBondContact O-NE2 2.83Å; V297-T365 HydrophobicContact CG2-CG2 3.69Å; V297-T365 PolarHBondContact N-O 2.83Å
298P98.1Very high96.4Very high17 Ų1741.2 Ų41.211%0.1125%0.245CC..  trans-80.6153.8-179.537-37000110.3Y278 T280 K296 E300 I301Y278-P298 HydrophobicContact CD2-CG 4.03Å; Y278-P298 HydrophobicContact CE2-CG 3.46Å; Y278-P298 VanDerWaalsContact CE2-CG 3.46Å; Y278-P298 WeakPolarHBondContact O-CD 3.4Å; T280-P298 HydrophobicContact CG2-CG 4.13Å; K296-P298 WeakPolarHBondContact O-CD 3.02Å; P298-E300 VanDerWaalsContact CB-OE2 3.28Å; P298-E300 WeakPolarHBondContact CB-OE2 3.26Å; P298-E300 PolarHBondContact O-N 3.18Å; P298-E300 VanDerWaalsContact O-N 3.12Å; P298-I301 HydrophobicContact CG-CG1 4.08Å; P298-I301 WeakPolarHBondContact O-CG1 3.43Å; P298-I301 PolarHBondContact O-N 3.25Å; P298-I301 VanDerWaalsContact O-N 3.14Å
299A97.9Very high96.5Very high40 Ų4039.1 Ų39.133%0.33124%0.242SC..G310 helixtrans-61.8-25.2-174.100000112.5I301 L302 A303 Q344A299-I301 PolarHBondContact O-N 2.87Å; A299-I301 VanDerWaalsContact O-N 3.13Å; A299-L302 PolarHBondContact O-N 3.28Å; A299-A303 PolarHBondContact O-N 3.4Å; A299-Q344 HydrophobicContact CB-CB 4.04Å; A299-Q344 HydrophobicContact CB-CG 4.06Å
300E97.6Very high96.6Very high110 Ų11037.2 Ų37.251%0.51422%0.222SC..G310 helixtrans-56.9-23.3176.8-67.881.7172.100113.1P298 L302 N308P298-E300 VanDerWaalsContact CB-OE2 3.28Å; P298-E300 WeakPolarHBondContact CB-OE2 3.26Å; P298-E300 PolarHBondContact O-N 3.18Å; P298-E300 VanDerWaalsContact O-N 3.12Å; E300-L302 VanDerWaalsContact C-N 3.32Å; E300-L302 PolarHBondContact O-N 2.85Å; E300-N308 PolarHBondContact O-ND2 2.9Å
301I97.7Very high96.6Very high1 Ų137.8 Ų37.81%0.00523%0.225CC..G310 helixtrans-63.7-37.7177.9-65.8-58.1000112.5R275 V277 Y278 V297 P298 A299 N308R275-I301 PolarHBondContact NH1-O 2.87Å; R275-I301 VanDerWaalsContact NH1-O 3.16Å; V277-I301 HydrophobicContact CB-CD1 4.45Å; V277-I301 HydrophobicContact CB-CG2 4.13Å; V277-I301 HydrophobicContact CG1-CG2 3.7Å; Y278-I301 HydrophobicContact CD1-CD1 3.27Å; Y278-I301 HydrophobicContact CD2-CD1 4.05Å; Y278-I301 HydrophobicContact CE1-CD1 3.21Å; Y278-I301 HydrophobicContact CE1-CG1 4.48Å; Y278-I301 HydrophobicContact CE2-CD1 4.01Å; Y278-I301 HydrophobicContact CG-CD1 3.68Å; V297-I301 HydrophobicContact CG1-CB 3.99Å; V297-I301 HydrophobicContact CG1-CG1 3.69Å; V297-I301 HydrophobicContact CG1-CG2 4.31Å; P298-I301 HydrophobicContact CG-CG1 4.08Å; P298-I301 WeakPolarHBondContact O-CG1 3.43Å; P298-I301 PolarHBondContact O-N 3.25Å; P298-I301 VanDerWaalsContact O-N 3.14Å; A299-I301 PolarHBondContact O-N 2.87Å; A299-I301 VanDerWaalsContact O-N 3.13Å; I301-N308 PolarHBondContact O-ND2 2.89Å
302L97.3Very high96.5Very high9 Ų935.5 Ų35.55%0.04721%0.21CC..THydrogen-bonded Turntrans-114.95.9-178.4-62.5-176.7000112.8F273 A299 E300 S321 G322 L324 F339F273-L302 HydrophobicContact CE1-CD2 4.01Å; F273-L302 HydrophobicContact CZ-CD1 4.19Å; F273-L302 HydrophobicContact CZ-CD2 4.08Å; A299-L302 PolarHBondContact O-N 3.28Å; E300-L302 VanDerWaalsContact C-N 3.32Å; E300-L302 PolarHBondContact O-N 2.85Å; L302-S321 CarbonylContact O-C 3.2Å; L302-S321 WeakPolarHBondContact O-CA 3.37Å; L302-G322 PolarHBondContact O-N 3.06Å; L302-L324 HydrophobicContact CD2-CB 3.95Å; L302-F339 HydrophobicContact CD1-CD2 4.02Å; L302-F339 HydrophobicContact CD1-CE2 3.75Å; L302-F339 HydrophobicContact CD1-CZ 4.39Å; L302-F339 HydrophobicContact CG-CE2 4.39Å
303A96.6Very high96.1Very high23 Ų2338.1 Ų38.119%0.1922%0.224CC..SBendtrans-67.7147178.600000111.7A299 T305 N308A299-A303 PolarHBondContact O-N 3.4Å; A303-T305 HydrophobicContact CB-CG2 3.81Å; A303-T305 PolarHBondContact O-N 3.13Å; A303-N308 PolarHBondContact O-ND2 3.22Å
304N94.9Very high95.4Very high92 Ų9240.9 Ų40.949%0.49224%0.244SC..  trans-74.989.1173.1-174.414.8000110.5S321N304-S321 PolarHBondContact N-OG 2.93Å
305T94.3Very high94.5Very high56 Ų5647.4 Ų47.434%0.34428%0.276SS..SBendtrans-131.5163.6-176.868.70000111.1A303 D307 N308 A309A303-T305 HydrophobicContact CB-CG2 3.81Å; A303-T305 PolarHBondContact O-N 3.13Å; T305-D307 PolarHBondContact O-N 3.02Å; T305-N308 PolarHBondContact O-N 2.96Å; T305-N308 VanDerWaalsContact O-N 3.13Å; T305-N308 PolarHBondContact OG1-N 3.49Å; T305-N308 PolarHBondContact OG1-ND2 2.81Å; T305-A309 PolarHBondContact O-N 3.19Å
306S92.6Very high93.3Very high109 Ų10950.7 Ų50.776%0.76231%0.31SS*.THydrogen-bonded Turntrans-59.5-32.9174.554.60000112.9N308 A309S306-N308 VanDerWaalsContact C-N 3.32Å; S306-A309 WeakPolarHBondContact O-CB 3.47Å; S306-A309 PolarHBondContact O-N 2.83Å
307D93.4Very high92.4Very high99 Ų9954.5 Ų54.553%0.52933%0.332SS..THydrogen-bonded Turntrans-68.4-32.2177.5-84.4-36.1000112.7K244 T305K244-D307 IonicContact NZ-OD1 2.96Å; K244-D307 PolarHBondContact NZ-OD1 3.36Å; T305-D307 PolarHBondContact O-N 3.02Å
308N95.8Very high92Very high18 Ų1855.4 Ų55.410%0.09634%0.338CS..THydrogen-bonded Turntrans-92.7-3178-71-35.7000113.5R275 E300 I301 A303 T305 S306 G310 F311R275-N308 PolarHBondContact NH2-OD1 3.33Å; E300-N308 PolarHBondContact O-ND2 2.9Å; I301-N308 PolarHBondContact O-ND2 2.89Å; A303-N308 PolarHBondContact O-ND2 3.22Å; T305-N308 PolarHBondContact O-N 2.96Å; T305-N308 VanDerWaalsContact O-N 3.13Å; T305-N308 PolarHBondContact OG1-N 3.49Å; T305-N308 PolarHBondContact OG1-ND2 2.81Å; S306-N308 VanDerWaalsContact C-N 3.32Å; N308-G310 PolarHBondContact O-N 3.23Å; N308-G310 VanDerWaalsContact O-N 3.12Å; N308-F311 HydrophobicContact CB-CD2 4.21Å; N308-F311 WeakPolarHBondContact O-CB 3.45Å; N308-F311 WeakPolarHBondContact O-CD2 3.42Å; N308-F311 PolarHBondContact O-N 3.38Å
309A94.8Very high91.7Very high39 Ų3956.9 Ų56.932%0.32235%0.345SS..G310 helixtrans-58.6-29.7-176.300000113T305 S306 F311 C312T305-A309 PolarHBondContact O-N 3.19Å; S306-A309 WeakPolarHBondContact O-CB 3.47Å; S306-A309 PolarHBondContact O-N 2.83Å; A309-F311 PolarHBondContact O-N 3.35Å; A309-C312 WeakPolarHBondContact O-CB 3.42Å; A309-C312 PolarHBondContact O-N 2.87Å; A309-C312 VanDerWaalsContact O-N 3.13Å
310G95.4Very high91.6Very high6 Ų655.3 Ų55.36%0.06233%0.332CS..G310 helixtrans-68.9-10.8177.500000115.2I241 C245 N308I241-G310 PolarHBondContact N-O 3.13Å; C245-G310 VanDerWaalsContact SG-CA 3.59Å; N308-G310 PolarHBondContact O-N 3.23Å; N308-G310 VanDerWaalsContact O-N 3.12Å
311F96.1Very high91.6Very high14 Ų1451.4 Ų51.46%0.06132%0.317CS..G310 helixtrans-88.8-4.8173.3-62.3-70.9000113.2W240 C245 R275 N308 A309 L324W240-F311 HydrophobicContact CB-CD1 4.41Å; W240-F311 AromaticContact CD1-CE1 3.76Å; W240-F311 AromaticContact CD2-CD1 3.49Å; W240-F311 HydrophobicContact CD2-CD1 3.49Å; W240-F311 VanDerWaalsContact CD2-CD1 3.49Å; W240-F311 HydrophobicContact CD2-CE1 4.04Å; W240-F311 AromaticContact CE2-CD1 3.68Å; W240-F311 HydrophobicContact CE3-CB 4.28Å; W240-F311 AromaticContact CE3-CD1 3.86Å; W240-F311 HydrophobicContact CE3-CD1 3.86Å; W240-F311 AromaticContact CG-CD1 3.72Å; W240-F311 HydrophobicContact CG-CD1 3.72Å; W240-F311 AromaticContact CG-CE1 3.86Å; W240-F311 HydrophobicContact CG-CE1 3.86Å; W240-F311 HydrophobicContact CZ2-CD1 4.2Å; W240-F311 HydrophobicContact CZ3-CB 4.41Å; W240-F311 HydrophobicContact CZ3-CD1 4.35Å; W240-F311 WeakPolarHBondContact CZ3-O 3.49Å; W240-F311 AromaticContact NE1-CD1 3.99Å; W240-F311 AromaticContact NE1-CE1 3.85Å; C245-F311 HydrophobicContact CB-CD1 4.08Å; C245-F311 HydrophobicContact CB-CD2 4.41Å; C245-F311 HydrophobicContact CB-CE1 3.56Å; C245-F311 HydrophobicContact CB-CE2 3.92Å; C245-F311 HydrophobicContact CB-CG 4.47Å; C245-F311 HydrophobicContact CB-CZ 3.47Å; C245-F311 VanDerWaalsContact CB-CZ 3.47Å; C245-F311 WeakPolarHBondContact O-CE1 3.45Å; C245-F311 WeakPolarHBondContact SG-CE2 3.44Å; C245-F311 VanDerWaalsContact SG-CZ 3.59Å; R275-F311 HydrophobicContact CB-CD1 4.31Å; R275-F311 HydrophobicContact CB-CE1 3.66Å; R275-F311 HydrophobicContact CB-CZ 4.34Å; R275-F311 HydrophobicContact CG-CE1 4.3Å; R275-F311 VanDerWaalsContact CZ-CD2 3.48Å; R275-F311 VanDerWaalsContact NE-CZ 3.29Å; N308-F311 HydrophobicContact CB-CD2 4.21Å; N308-F311 WeakPolarHBondContact O-CB 3.45Å; N308-F311 WeakPolarHBondContact O-CD2 3.42Å; N308-F311 PolarHBondContact O-N 3.38Å; A309-F311 PolarHBondContact O-N 3.35Å; F311-L324 HydrophobicContact CB-CD1 3.76Å; F311-L324 HydrophobicContact CG-CD1 4.34Å
312C93Very high91.6Very high18 Ų1851.3 Ų51.312%0.12232%0.317CS..SBendtrans-95.7102.9-176.4-540000110I241 A309 P314 E315 C318I241-C312 WeakPolarHBondContact CD1-O 3.43Å; A309-C312 WeakPolarHBondContact O-CB 3.42Å; A309-C312 PolarHBondContact O-N 2.87Å; A309-C312 VanDerWaalsContact O-N 3.13Å; C312-P314 CarbonylContact C-O 3.51Å; C312-P314 CarbonylContact O-C 3.59Å; C312-E315 PolarHBondContact O-N 2.87Å; C312-C318 HydrophobicContact CB-CB 3.92Å; C312-C318 WeakPolarHBondContact CB-SG 3.46Å; C312-C318 WeakPolarHBondContact SG-CA 3.12Å; C312-C318 WeakPolarHBondContact SG-CB 3.41Å; C312-C318 CovalentContact SG-SG 2.02Å; C312-C318 PolarHBondContact SG-SG 3.16Å
313I88.8Confident91.6Very high58 Ų5851.5 Ų51.530%0.29732%0.318SS..SBendtrans-107.8125.8179.6-56.7172.6000108.7W239 W240 I241 I328W239-I313 WeakPolarHBondContact O-CD1 3.36Å; W240-I313 HydrophobicContact CE3-CD1 3.74Å; W240-I313 HydrophobicContact CE3-CG1 4.32Å; W240-I313 HydrophobicContact CZ3-CD1 3.93Å; I241-I313 HydrophobicContact CD1-CG1 4.44Å; I241-I313 HydrophobicContact CG1-CG1 4.38Å; I313-I328 HydrophobicContact CD1-CB 4.32Å; I313-I328 HydrophobicContact CD1-CG2 4.07Å
314P84.1Confident91.7Very high87 Ų8750.8 Ų50.857%0.56531%0.311SS*.SBendcis-71.5161.8-4.231.2-35.5000113.3C312 G316 N317C312-P314 CarbonylContact C-O 3.51Å; C312-P314 CarbonylContact O-C 3.59Å; P314-G316 PolarHBondContact O-N 2.9Å; P314-N317 HydrophobicContact CG-CB 4.36Å; P314-N317 WeakPolarHBondContact O-CB 3.44Å; P314-N317 PolarHBondContact O-N 3.34Å; P314-N317 VanDerWaalsContact O-N 3.12Å
315E80.6Confident91.8Very high163 Ų16348.8 Ų48.876%0.76230%0.3SS*.THydrogen-bonded Turntrans-50.1132.3-172.2-169.2176.2-174.900113.1I241 C312 N317I241-E315 HydrophobicContact CD1-CB 3.76Å; I241-E315 HydrophobicContact CD1-CG 4.06Å; C312-E315 PolarHBondContact O-N 2.87Å; E315-N317 VanDerWaalsContact C-N 3.29Å; E315-N317 PolarHBondContact O-N 3.22Å
316G72.9Confident91.9Very high70 Ų7046.1 Ų46.172%0.72228%0.284SS*.THydrogen-bonded Turntrans80.6-1.1178.500000115.3P314P314-G316 PolarHBondContact O-N 2.9Å
317N80.8Confident92Very high102 Ų10242.2 Ų42.255%0.54526%0.256SS..  trans-108.867.2-177.5-1649.8000112.7P314 E315P314-N317 HydrophobicContact CG-CB 4.36Å; P314-N317 WeakPolarHBondContact O-CB 3.44Å; P314-N317 PolarHBondContact O-N 3.34Å; P314-N317 VanDerWaalsContact O-N 3.12Å; E315-N317 VanDerWaalsContact C-N 3.29Å; E315-N317 PolarHBondContact O-N 3.22Å
318C89.1Confident92Very high32 Ų3241.5 Ų41.522%0.21625%0.252CS..  trans-77.4134175.1-56.20000111.1C312 G320C312-C318 HydrophobicContact CB-CB 3.92Å; C312-C318 WeakPolarHBondContact CB-SG 3.46Å; C312-C318 WeakPolarHBondContact SG-CA 3.12Å; C312-C318 WeakPolarHBondContact SG-CB 3.41Å; C312-C318 CovalentContact SG-SG 2.02Å; C312-C318 PolarHBondContact SG-SG 3.16Å; C318-G320 VanDerWaalsContact C-N 3.29Å; C318-G320 PolarHBondContact O-N 3.12Å
319L93.1Very high91.9Very high49 Ų4941.9 Ų41.926%0.25726%0.256SS..  trans-67.7-26.7-179.9-72.5176.6000113.6V323 I336 R348 Y388 V405L319-V323 HydrophobicContact CB-CG2 3.9Å; L319-I336 HydrophobicContact CD1-CD1 3.52Å; L319-I336 HydrophobicContact CD1-CG1 4.09Å; L319-I336 HydrophobicContact CD1-CG2 4.32Å; L319-R348 PolarHBondContact O-NH1 3.24Å; L319-R348 PolarHBondContact O-NH2 3.02Å; L319-Y388 HydrophobicContact CD1-CD2 4.34Å; L319-Y388 HydrophobicContact CD2-CD2 4.2Å; L319-Y388 HydrophobicContact CD2-CE2 3.8Å; L319-V405 HydrophobicContact CD1-CG2 4.48Å
320G94.9Very high91.9Very high6 Ų642.5 Ų42.56%0.06225%0.251CS..  trans146.5178.9-174.200000113.6C318C318-G320 VanDerWaalsContact C-N 3.29Å; C318-G320 PolarHBondContact O-N 3.12Å
321S97.8Very high91.7Very high28 Ų2848.9 Ų48.920%0.19628%0.284CS..THydrogen-bonded Turntrans-77.6142.2173.5-52.80000111.4L302 N304 A345 D346 F349L302-S321 CarbonylContact O-C 3.2Å; L302-S321 WeakPolarHBondContact O-CA 3.37Å; N304-S321 PolarHBondContact N-OG 2.93Å; S321-A345 WeakPolarHBondContact O-CA 3.28Å; S321-A345 WeakPolarHBondContact O-CB 3.5Å; S321-D346 WeakPolarHBondContact CB-OD1 3.35Å; S321-D346 PolarHBondContact N-OD2 2.8Å; S321-D346 VanDerWaalsContact N-OD2 3.15Å; S321-D346 PolarHBondContact O-N 3.45Å; S321-D346 VanDerWaalsContact O-N 3.09Å; S321-D346 PolarHBondContact OG-OD1 3.2Å; S321-F349 WeakPolarHBondContact O-CE2 3.45Å
322G97.6Very high91.5Very high0 Ų049.4 Ų49.40%029%0.293CS..THydrogen-bonded Turntrans86.37.3174.400000115.6L302 S338L302-G322 PolarHBondContact O-N 3.06Å; G322-S338 WeakPolarHBondContact O-CB 3.35Å
323V98.2Very high91.6Very high13 Ų1348.9 Ų48.98%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-134.5149.9179.4-62.10000111.3L319 I336 M337 F342 F349L319-V323 HydrophobicContact CB-CG2 3.9Å; V323-I336 HydrophobicContact CB-CG2 3.74Å; V323-I336 HydrophobicContact CG1-CG2 4.33Å; V323-I336 HydrophobicContact CG2-CG2 4.46Å; V323-M337 CarbonylContact C-O 3.16Å; V323-M337 VanDerWaalsContact CA-O 3.28Å; V323-M337 WeakPolarHBondContact CA-O 3.38Å; V323-F342 HydrophobicContact CG1-CD1 4.27Å; V323-F342 HydrophobicContact CG1-CE1 4.45Å; V323-F349 HydrophobicContact CG1-CD2 4.18Å; V323-F349 HydrophobicContact CG1-CE1 4.39Å; V323-F349 HydrophobicContact CG1-CE2 4.02Å; V323-F349 HydrophobicContact CG1-CG 4.42Å; V323-F349 HydrophobicContact CG1-CZ 4.12Å; V323-F349 HydrophobicContact CG2-CE1 4.33Å; V323-F349 HydrophobicContact CG2-CE2 3.87Å; V323-F349 HydrophobicContact CG2-CZ 3.59Å
324L97.6Very high92Very high8 Ų846.5 Ų46.54%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-133.5123.1178.917867.3000110.4W240 F273 R275 L302 F311 V326 I336 M337W240-L324 HydrophobicContact CH2-CD1 4.24Å; F273-L324 HydrophobicContact CD1-CD2 4.2Å; F273-L324 HydrophobicContact CE1-CD2 3.99Å; R275-L324 HydrophobicContact CG-CD2 4Å; L302-L324 HydrophobicContact CD2-CB 3.95Å; F311-L324 HydrophobicContact CB-CD1 3.76Å; F311-L324 HydrophobicContact CG-CD1 4.34Å; L324-V326 HydrophobicContact CD2-CG1 3.73Å; L324-V326 HydrophobicContact CG-CG1 3.78Å; L324-V326 PolarHBondContact O-N 3.26Å; L324-I336 CarbonylContact O-C 3.58Å; L324-I336 WeakPolarHBondContact O-CA 3.41Å; L324-M337 HydrophobicContact CB-CB 4.4Å; L324-M337 PolarHBondContact N-O 3.4Å; L324-M337 PolarHBondContact O-N 3.18Å
325N97Very high92.6Very high49 Ų4943.3 Ų43.326%0.26226%0.257SS..EExtended strand (participates in β ladder)trans-75.3116.2171.3-177.63.2000109.8W240 S327 I336W240-N325 WeakPolarHBondContact CH2-O 3.18Å; N325-S327 WeakPolarHBondContact OD1-CB 3.46Å; N325-S327 PolarHBondContact OD1-N 2.9Å; N325-I336 HydrophobicContact CB-CD1 3.73Å
326V96.6Very high93.5Very high0 Ų035.6 Ų35.60%022%0.221CC..  trans-11317.4-178.6-62.70000112.5C274 L324 I328 C329 K330 I335 M337C274-V326 HydrophobicContact CB-CG1 4.49Å; L324-V326 HydrophobicContact CD2-CG1 3.73Å; L324-V326 HydrophobicContact CG-CG1 3.78Å; L324-V326 PolarHBondContact O-N 3.26Å; V326-I328 PolarHBondContact O-N 2.64Å; V326-I328 VanDerWaalsContact O-N 3.13Å; V326-C329 PolarHBondContact O-N 3.28Å; V326-C329 VanDerWaalsContact O-N 3.14Å; V326-C329 PolarHBondContact O-SG 3Å; V326-K330 HydrophobicContact CG2-CG 4.1Å; V326-K330 WeakPolarHBondContact O-CG 3.49Å; V326-K330 PolarHBondContact O-N 3.02Å; V326-I335 HydrophobicContact CG2-CB 3.97Å; V326-I335 HydrophobicContact CG2-CG2 3.64Å; V326-I335 WeakPolarHBondContact CG2-O 3.25Å; V326-I335 PolarHBondContact N-O 2.96Å; V326-M337 HydrophobicContact CB-CG 4.24Å; V326-M337 HydrophobicContact CG1-CB 4.35Å; V326-M337 HydrophobicContact CG1-CG 3.62Å; V326-M337 HydrophobicContact CG2-CG 3.59Å; V326-M337 HydrophobicContact CG2-SD 4.34Å
327S94.6Very high94.7Very high27 Ų2732.5 Ų32.519%0.18919%0.187CC..G310 helixtrans-50.7-40.4-179.3179.10000113.2N325 C329 K330 G332 A333N325-S327 WeakPolarHBondContact OD1-CB 3.46Å; N325-S327 PolarHBondContact OD1-N 2.9Å; S327-C329 VanDerWaalsContact C-N 3.32Å; S327-C329 PolarHBondContact O-N 3.2Å; S327-K330 CarbonylContact O-C 3.59Å; S327-K330 PolarHBondContact O-N 2.82Å; S327-G332 WeakPolarHBondContact O-CA 3.42Å; S327-G332 PolarHBondContact O-N 2.97Å; S327-G332 VanDerWaalsContact OG-CA 3.31Å; S327-G332 WeakPolarHBondContact OG-CA 3.42Å; S327-G332 PolarHBondContact OG-O 3.31Å; S327-G332 VanDerWaalsContact OG-O 3.13Å; S327-A333 WeakPolarHBondContact CA-O 3.18Å; S327-A333 WeakPolarHBondContact CB-O 3.44Å; S327-A333 PolarHBondContact OG-O 3.5Å
328I93.2Very high95.6Very high85 Ų8527.7 Ų27.744%0.43616%0.161SC..G310 helixtrans-60-36.4-177.9-170.959.8000113.8W239 W240 I313 V326W239-I328 HydrophobicContact CB-CG1 3.97Å; W239-I328 HydrophobicContact CB-CG2 3.82Å; W239-I328 HydrophobicContact CG-CG1 4.21Å; W239-I328 HydrophobicContact CG-CG2 4.29Å; W240-I328 HydrophobicContact CH2-CG2 4.17Å; W240-I328 HydrophobicContact CZ3-CG2 4.15Å; I313-I328 HydrophobicContact CD1-CB 4.32Å; I313-I328 HydrophobicContact CD1-CG2 4.07Å; V326-I328 PolarHBondContact O-N 2.64Å; V326-I328 VanDerWaalsContact O-N 3.13Å
329C94.2Very high96Very high26 Ų2626.6 Ų26.618%0.17615%0.153CC..G310 helixtrans-93.4-0.4178.868.90000113W239 C274 V326 S327W239-C329 HydrophobicContact CD2-CB 3.98Å; W239-C329 HydrophobicContact CE3-CB 3.86Å; W239-C329 HydrophobicContact CH2-CB 3.8Å; W239-C329 HydrophobicContact CZ2-CB 3.94Å; W239-C329 HydrophobicContact CZ3-CB 3.79Å; C274-C329 HydrophobicContact CB-CB 3.65Å; C274-C329 WeakPolarHBondContact CB-SG 3.3Å; C274-C329 WeakPolarHBondContact SG-CB 3.3Å; C274-C329 CovalentContact SG-SG 2.01Å; C274-C329 PolarHBondContact SG-SG 2.92Å; V326-C329 PolarHBondContact O-N 3.28Å; V326-C329 VanDerWaalsContact O-N 3.14Å; V326-C329 PolarHBondContact O-SG 3Å; S327-C329 VanDerWaalsContact C-N 3.32Å; S327-C329 PolarHBondContact O-N 3.2Å
330K94.6Very high96.3Very high52 Ų5224.2 Ų24.223%0.22614%0.141CC..THydrogen-bonded Turntrans-121.542.6-178.7-54.4-60.7177.7-169.80111.4D272 V326 S327 G332 A333 I335D272-K330 PolarHBondContact O-NZ 2.95Å; D272-K330 VanDerWaalsContact O-NZ 3.16Å; V326-K330 HydrophobicContact CG2-CG 4.1Å; V326-K330 WeakPolarHBondContact O-CG 3.49Å; V326-K330 PolarHBondContact O-N 3.02Å; S327-K330 CarbonylContact O-C 3.59Å; S327-K330 PolarHBondContact O-N 2.82Å; K330-G332 PolarHBondContact O-N 2.81Å; K330-G332 VanDerWaalsContact O-N 3.16Å; K330-A333 WeakPolarHBondContact O-CB 3.16Å; K330-A333 PolarHBondContact O-N 3.43Å; K330-I335 HydrophobicContact CB-CD1 3.94Å; K330-I335 HydrophobicContact CG-CD1 4.08Å
331N91.2Very high96.5Very high140 Ų14024.4 Ų24.475%0.74914%0.14SC*.THydrogen-bonded Turntrans5532.9176.1-58.3-43.3000114.3W146 A333W146-N331 PolarHBondContact NE1-O 2.99Å; N331-A333 VanDerWaalsContact C-N 3.27Å; N331-A333 PolarHBondContact O-N 3.34Å
332G91.8Very high96.5Very high25 Ų2523.2 Ų23.226%0.25813%0.131SC..THydrogen-bonded Turntrans78.43.4179.700000114.9S327 K330S327-G332 WeakPolarHBondContact O-CA 3.42Å; S327-G332 PolarHBondContact O-N 2.97Å; S327-G332 VanDerWaalsContact OG-CA 3.31Å; S327-G332 WeakPolarHBondContact OG-CA 3.42Å; S327-G332 PolarHBondContact OG-O 3.31Å; S327-G332 VanDerWaalsContact OG-O 3.13Å; K330-G332 PolarHBondContact O-N 2.81Å; K330-G332 VanDerWaalsContact O-N 3.16Å
333A95.4Very high96.6Very high7 Ų725.1 Ų25.16%0.05814%0.139CC..  trans-61.9143.4173.200000110.7T142 S327 K330 N331 I335T142-A333 HydrophobicContact CG2-CB 3.9Å; T142-A333 WeakPolarHBondContact OG1-CB 3.35Å; S327-A333 WeakPolarHBondContact CA-O 3.18Å; S327-A333 WeakPolarHBondContact CB-O 3.44Å; S327-A333 PolarHBondContact OG-O 3.5Å; K330-A333 WeakPolarHBondContact O-CB 3.16Å; K330-A333 PolarHBondContact O-N 3.43Å; N331-A333 VanDerWaalsContact C-N 3.27Å; N331-A333 PolarHBondContact O-N 3.34Å; A333-I335 HydrophobicContact CB-CD1 4.06Å; A333-I335 HydrophobicContact CB-CG1 3.9Å; A333-I335 PolarHBondContact O-N 3.46Å
334P96.5Very high96.6Very high8 Ų827 Ų275%0.05215%0.147CC..  trans-74.647.6-177.926.9-31.9000113.6L141 E145 I387 Y388L141-P334 HydrophobicContact CB-CG 4.17Å; E145-P334 HydrophobicContact CG-CB 3.98Å; E145-P334 HydrophobicContact CG-CG 3.97Å; P334-I387 HydrophobicContact CG-CG2 4.11Å; P334-I387 CarbonylContact O-C 3.55Å; P334-I387 WeakPolarHBondContact O-CA 3.42Å; P334-Y388 PolarHBondContact O-N 3.28Å
335I97.9Very high96.6Very high20 Ų2027.6 Ų27.610%0.10315%0.152CC..EExtended strand (participates in β ladder)trans-83.7128.6-176-59.2-178.7000110.7V326 K330 A333 M337 I385 N386 I387V326-I335 HydrophobicContact CG2-CB 3.97Å; V326-I335 HydrophobicContact CG2-CG2 3.64Å; V326-I335 WeakPolarHBondContact CG2-O 3.25Å; V326-I335 PolarHBondContact N-O 2.96Å; K330-I335 HydrophobicContact CB-CD1 3.94Å; K330-I335 HydrophobicContact CG-CD1 4.08Å; A333-I335 HydrophobicContact CB-CD1 4.06Å; A333-I335 HydrophobicContact CB-CG1 3.9Å; A333-I335 PolarHBondContact O-N 3.46Å; I335-M337 HydrophobicContact CG2-SD 4.49Å; I335-I385 HydrophobicContact CG2-CG2 3.97Å; I335-N386 WeakPolarHBondContact CA-O 3.47Å; I335-I387 HydrophobicContact CG1-CD1 3.94Å
336I98.4Very high96.7Very high1 Ų127.8 Ų27.81%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-118.3123.5175.5-49.6-57.4000108.9L319 V323 L324 N325 N386 V405L319-I336 HydrophobicContact CD1-CD1 3.52Å; L319-I336 HydrophobicContact CD1-CG1 4.09Å; L319-I336 HydrophobicContact CD1-CG2 4.32Å; V323-I336 HydrophobicContact CB-CG2 3.74Å; V323-I336 HydrophobicContact CG1-CG2 4.33Å; V323-I336 HydrophobicContact CG2-CG2 4.46Å; L324-I336 CarbonylContact O-C 3.58Å; L324-I336 WeakPolarHBondContact O-CA 3.41Å; N325-I336 HydrophobicContact CB-CD1 3.73Å; I336-N386 HydrophobicContact CB-CB 4.22Å; I336-N386 PolarHBondContact N-O 3.37Å; I336-N386 WeakPolarHBondContact O-CA 3.45Å; I336-N386 VanDerWaalsContact O-CB 3.26Å; I336-N386 WeakPolarHBondContact O-CB 3.49Å; I336-N386 PolarHBondContact O-N 2.88Å; I336-N386 PolarHBondContact O-ND2 2.88Å; I336-V405 HydrophobicContact CB-CG1 3.96Å; I336-V405 HydrophobicContact CG1-CG1 4.36Å; I336-V405 HydrophobicContact CG2-CG1 3.88Å; I336-V405 HydrophobicContact CG2-CG2 4.44Å
337M98.3Very high96.8Very high5 Ų535.4 Ų35.43%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-86.8144.3174.4-60.6-66.3-85.900110.5F273 V323 L324 V326 I335 F383 Q384 I385F273-M337 HydrophobicContact CD2-CB 4.31Å; F273-M337 HydrophobicContact CD2-CE 3.59Å; F273-M337 HydrophobicContact CD2-CG 4.39Å; F273-M337 HydrophobicContact CE2-CB 3.76Å; F273-M337 HydrophobicContact CE2-CE 3.99Å; F273-M337 HydrophobicContact CE2-CG 4.32Å; F273-M337 HydrophobicContact CZ-CB 4.24Å; V323-M337 CarbonylContact C-O 3.16Å; V323-M337 VanDerWaalsContact CA-O 3.28Å; V323-M337 WeakPolarHBondContact CA-O 3.38Å; L324-M337 HydrophobicContact CB-CB 4.4Å; L324-M337 PolarHBondContact N-O 3.4Å; L324-M337 PolarHBondContact O-N 3.18Å; V326-M337 HydrophobicContact CB-CG 4.24Å; V326-M337 HydrophobicContact CG1-CB 4.35Å; V326-M337 HydrophobicContact CG1-CG 3.62Å; V326-M337 HydrophobicContact CG2-CG 3.59Å; V326-M337 HydrophobicContact CG2-SD 4.34Å; I335-M337 HydrophobicContact CG2-SD 4.49Å; M337-F383 HydrophobicContact CE-CB 4.45Å; M337-F383 HydrophobicContact CE-CD2 3.28Å; M337-F383 HydrophobicContact CE-CE2 3.6Å; M337-F383 HydrophobicContact CE-CG 4Å; M337-F383 HydrophobicContact SD-CD2 4.46Å; M337-Q384 WeakPolarHBondContact CA-O 3.34Å; M337-I385 HydrophobicContact SD-CG1 4.2Å
338S98.7Very high96.9Very high0 Ų040.3 Ų40.30%020%0.203CC..EExtended strand (participates in β ladder)trans-147.7-179.3169.770.30000110.4G322 F383 Q384 N386G322-S338 WeakPolarHBondContact O-CB 3.35Å; S338-F383 CarbonylContact O-C 3.53Å; S338-F383 WeakPolarHBondContact O-CA 3.31Å; S338-Q384 PolarHBondContact N-O 3.13Å; S338-Q384 PolarHBondContact O-N 3.29Å; S338-Q384 WeakPolarHBondContact OG-CB 3.4Å; S338-Q384 PolarHBondContact OG-NE2 3.48Å; S338-N386 WeakPolarHBondContact CB-ND2 3.39Å; S338-N386 PolarHBondContact OG-ND2 2.93Å
339F98.8Very high97.2Very high9 Ų936.8 Ų36.84%0.03919%0.185CC..SBendtrans-80.5161.1160.2-67.6-63.5000111.1V297 L302 F342 Y343 Q344 R382V297-F339 HydrophobicContact CB-CZ 3.94Å; V297-F339 HydrophobicContact CG1-CE2 4.27Å; V297-F339 HydrophobicContact CG1-CZ 3.58Å; L302-F339 HydrophobicContact CD1-CD2 4.02Å; L302-F339 HydrophobicContact CD1-CE2 3.75Å; L302-F339 HydrophobicContact CD1-CZ 4.39Å; L302-F339 HydrophobicContact CG-CE2 4.39Å; F339-F342 PolarHBondContact O-N 2.91Å; F339-F342 VanDerWaalsContact O-N 3.08Å; F339-Y343 HydrophobicContact CB-CD1 4.34Å; F339-Y343 WeakPolarHBondContact CB-O 3.33Å; F339-Q344 HydrophobicContact CD2-CB 4.36Å; F339-Q344 VanDerWaalsContact CE2-OE1 3.23Å; F339-R382 WeakPolarHBondContact CD1-O 3.38Å
340P98.9Very high97.4Very high0 Ų037 Ų370%019%0.185CC..G310 helixtrans-55.2139.1179.8-23.132.1000113F342 Y343 H363 R382 Y410P340-F342 PolarHBondContact O-N 3.21Å; P340-Y343 WeakPolarHBondContact O-CB 3.45Å; P340-Y343 PolarHBondContact O-N 3.07Å; P340-H363 HydrophobicContact CB-CB 3.83Å; P340-H363 HydrophobicContact CG-CB 4.2Å; P340-R382 HydrophobicContact CG-CB 3.82Å; P340-Y410 HydrophobicContact CB-CD1 4.16Å; P340-Y410 HydrophobicContact CB-CD2 3.66Å; P340-Y410 HydrophobicContact CB-CE2 4.11Å; P340-Y410 HydrophobicContact CB-CG 3.69Å; P340-Y410 HydrophobicContact CG-CD2 3.62Å; P340-Y410 HydrophobicContact CG-CE2 4.29Å; P340-Y410 HydrophobicContact CG-CG 3.95Å
341H98.8Very high97.5Very high10 Ų1038.9 Ų38.95%0.04621%0.205CC..G310 helixtrans50.226.9-174.2-64.9-107.1000114.2F67 E85 Y343 G355 M356 H357 P358 H363 Y410F67-H341 AromaticContact CE1-CE1 3.55Å; F67-H341 AromaticContact CE1-NE2 3.64Å; F67-H341 AromaticContact CZ-CD2 3.97Å; F67-H341 AromaticContact CZ-CE1 3.96Å; F67-H341 AromaticContact CZ-NE2 3.69Å; E85-H341 IonicContact OE2-CE1 2.69Å; E85-H341 IonicContact OE2-NE2 3.76Å; E85-H341 PolarHBondContact OE2-NE2 3.33Å; E85-H341 VanDerWaalsContact OE2-NE2 3.12Å; H341-Y343 VanDerWaalsContact C-N 3.28Å; H341-Y343 PolarHBondContact O-N 3.39Å; H341-G355 PolarHBondContact ND1-O 3.43Å; H341-M356 HydrophobicContact CB-SD 4.37Å; H341-H357 PolarHBondContact ND1-N 3.32Å; H341-H357 VanDerWaalsContact ND1-N 3.19Å; H341-P358 HydrophobicContact CB-CB 4.23Å; H341-P358 WeakPolarHBondContact O-CB 3.23Å; H341-H363 AromaticContact CD2-CE1 3.2Å; H341-H363 PolarHBondContact CD2-CE1 3.42Å; H341-H363 AromaticContact CD2-ND1 3.96Å; H341-H363 AromaticContact CD2-NE2 3.23Å; H341-H363 PolarHBondContact CD2-NE2 3.4Å; H341-H363 AromaticContact CG-CE1 3.52Å; H341-H363 AromaticContact NE2-CE1 3.98Å; H341-H363 AromaticContact NE2-NE2 3.81Å; H341-Y410 AromaticContact NE2-CE1 3.78Å
342F98.8Very high97.9Very high2 Ų233.7 Ų33.71%0.00918%0.182CC..G310 helixtrans59.234.8-174.4-53.1-72.5000113.7V323 F339 P340 A345 F349 V350 M356 N386 V405 P407V323-F342 HydrophobicContact CG1-CD1 4.27Å; V323-F342 HydrophobicContact CG1-CE1 4.45Å; F339-F342 PolarHBondContact O-N 2.91Å; F339-F342 VanDerWaalsContact O-N 3.08Å; P340-F342 PolarHBondContact O-N 3.21Å; F342-A345 HydrophobicContact CB-CB 3.87Å; F342-A345 WeakPolarHBondContact O-CB 3.19Å; F342-A345 PolarHBondContact O-N 3.2Å; F342-A345 VanDerWaalsContact O-N 3.1Å; F342-F349 HydrophobicContact CB-CB 4.15Å; F342-F349 HydrophobicContact CD1-CB 3.97Å; F342-F349 HydrophobicContact CD2-CB 4.18Å; F342-F349 HydrophobicContact CE1-CB 4.41Å; F342-F349 HydrophobicContact CG-CB 3.84Å; F342-V350 HydrophobicContact CB-CG2 3.97Å; F342-M356 HydrophobicContact CD2-CG 3.9Å; F342-M356 HydrophobicContact CD2-SD 3.81Å; F342-M356 HydrophobicContact CE2-CG 3.96Å; F342-M356 HydrophobicContact CE2-SD 3.74Å; F342-N386 WeakPolarHBondContact CE1-OD1 3.28Å; F342-N386 VanDerWaalsContact CZ-OD1 3.32Å; F342-N386 WeakPolarHBondContact CZ-OD1 3.17Å; F342-V405 HydrophobicContact CE1-CB 4.45Å; F342-V405 HydrophobicContact CE1-CG1 3.83Å; F342-V405 HydrophobicContact CZ-CG1 4.12Å; F342-V405 WeakPolarHBondContact CZ-O 3.49Å; F342-P407 HydrophobicContact CE2-CB 4.43Å; F342-P407 HydrophobicContact CE2-CG 4.44Å; F342-P407 HydrophobicContact CZ-CB 4.32Å
343Y98.8Very high98.2Very high40 Ų4032.7 Ų32.716%0.15717%0.17CC..THydrogen-bonded Turntrans-54.2140.9168.9176.5-113.4000111.1F339 P340 H341 A345 K360 H363 E364F339-Y343 HydrophobicContact CB-CD1 4.34Å; F339-Y343 WeakPolarHBondContact CB-O 3.33Å; P340-Y343 WeakPolarHBondContact O-CB 3.45Å; P340-Y343 PolarHBondContact O-N 3.07Å; H341-Y343 VanDerWaalsContact C-N 3.28Å; H341-Y343 PolarHBondContact O-N 3.39Å; Y343-A345 PolarHBondContact O-N 3.25Å; Y343-K360 HydrophobicContact CE2-CB 4.07Å; Y343-H363 HydrophobicContact CD1-CB 4.4Å; Y343-H363 HydrophobicContact CG-CB 4.09Å; Y343-E364 HydrophobicContact CE1-CB 3.71Å
344Q98.3Very high98.4Very high53 Ų5337.2 Ų37.225%0.24819%0.19CC..THydrogen-bonded Turntrans58.917.5-173.1-63172.1-23.600115.5V297 A299 F339V297-Q344 PolarHBondContact O-NE2 2.83Å; A299-Q344 HydrophobicContact CB-CB 4.04Å; A299-Q344 HydrophobicContact CB-CG 4.06Å; F339-Q344 HydrophobicContact CD2-CB 4.36Å; F339-Q344 VanDerWaalsContact CE2-OE1 3.23Å
345A98.4Very high98.5Very high20 Ų2037.7 Ų37.717%0.16520%0.197CC..SBendtrans-104.7168.2176.700000113.6S321 F342 Y343 E347 F349S321-A345 WeakPolarHBondContact O-CA 3.28Å; S321-A345 WeakPolarHBondContact O-CB 3.5Å; F342-A345 HydrophobicContact CB-CB 3.87Å; F342-A345 WeakPolarHBondContact O-CB 3.19Å; F342-A345 PolarHBondContact O-N 3.2Å; F342-A345 VanDerWaalsContact O-N 3.1Å; Y343-A345 PolarHBondContact O-N 3.25Å; A345-E347 PolarHBondContact O-N 3.08Å; A345-F349 HydrophobicContact CB-CD2 4.08Å
346D98.3Very high98.5Very high53 Ų5337.1 Ų37.128%0.28319%0.194SC..  trans-57.3135.4171.2-68.3-27.8000110.7S321 R348 F349S321-D346 WeakPolarHBondContact CB-OD1 3.35Å; S321-D346 PolarHBondContact N-OD2 2.8Å; S321-D346 VanDerWaalsContact N-OD2 3.15Å; S321-D346 PolarHBondContact O-N 3.45Å; S321-D346 VanDerWaalsContact O-N 3.09Å; S321-D346 PolarHBondContact OG-OD1 3.2Å; D346-R348 HydrophobicContact CB-CG 4.02Å; D346-R348 PolarHBondContact O-N 3.25Å; D346-R348 IonicContact OD2-CZ 2.64Å; D346-R348 IonicContact OD2-NE 3.52Å; D346-R348 IonicContact OD2-NH2 2.75Å; D346-R348 PolarHBondContact OD2-NH2 3.47Å; D346-R348 VanDerWaalsContact OD2-NH2 3.15Å; D346-F349 HydrophobicContact CB-CD2 3.92Å; D346-F349 HydrophobicContact CB-CE2 4.07Å; D346-F349 PolarHBondContact O-N 3.49Å
347E98.1Very high98.5Very high160 Ų16043.5 Ų43.575%0.74822%0.224SC*.Hα-helixtrans-56.7-22.8-177.4-67.6-178.1175.100114.3A345 F349 V350 S351A345-E347 PolarHBondContact O-N 3.08Å; E347-F349 VanDerWaalsContact C-N 3.27Å; E347-F349 PolarHBondContact O-N 3.01Å; E347-V350 PolarHBondContact O-N 3.05Å; E347-S351 WeakPolarHBondContact O-CB 3.39Å; E347-S351 PolarHBondContact O-N 2.91Å; E347-S351 PolarHBondContact O-OG 2.67Å
348R98Very high98.5Very high130 Ų13045.8 Ų45.849%0.49124%0.239SC..Hα-helixtrans-65.5-28.1176.568.9-178.1166.799.33.9113.2L319 D346 A352L319-R348 PolarHBondContact O-NH1 3.24Å; L319-R348 PolarHBondContact O-NH2 3.02Å; D346-R348 HydrophobicContact CB-CG 4.02Å; D346-R348 PolarHBondContact O-N 3.25Å; D346-R348 IonicContact OD2-CZ 2.64Å; D346-R348 IonicContact OD2-NE 3.52Å; D346-R348 IonicContact OD2-NH2 2.75Å; D346-R348 PolarHBondContact OD2-NH2 3.47Å; D346-R348 VanDerWaalsContact OD2-NH2 3.15Å; R348-A352 WeakPolarHBondContact O-CB 3.28Å; R348-A352 PolarHBondContact O-N 3.41Å
349F98.5Very high98.5Very high12 Ų1248.4 Ų48.45%0.05325%0.253CS..Hα-helixtrans-70.9-41.2175.4-66.4-63.6000110.6S321 V323 F342 A345 D346 E347 V405S321-F349 WeakPolarHBondContact O-CE2 3.45Å; V323-F349 HydrophobicContact CG1-CD2 4.18Å; V323-F349 HydrophobicContact CG1-CE1 4.39Å; V323-F349 HydrophobicContact CG1-CE2 4.02Å; V323-F349 HydrophobicContact CG1-CG 4.42Å; V323-F349 HydrophobicContact CG1-CZ 4.12Å; V323-F349 HydrophobicContact CG2-CE1 4.33Å; V323-F349 HydrophobicContact CG2-CE2 3.87Å; V323-F349 HydrophobicContact CG2-CZ 3.59Å; F342-F349 HydrophobicContact CB-CB 4.15Å; F342-F349 HydrophobicContact CD1-CB 3.97Å; F342-F349 HydrophobicContact CD2-CB 4.18Å; F342-F349 HydrophobicContact CE1-CB 4.41Å; F342-F349 HydrophobicContact CG-CB 3.84Å; A345-F349 HydrophobicContact CB-CD2 4.08Å; D346-F349 HydrophobicContact CB-CD2 3.92Å; D346-F349 HydrophobicContact CB-CE2 4.07Å; D346-F349 PolarHBondContact O-N 3.49Å; E347-F349 VanDerWaalsContact C-N 3.27Å; E347-F349 PolarHBondContact O-N 3.01Å; F349-V405 HydrophobicContact CD1-CB 4.12Å; F349-V405 HydrophobicContact CD1-CG2 4.06Å; F349-V405 HydrophobicContact CE1-CB 4.24Å; F349-V405 HydrophobicContact CE1-CG2 3.67Å
350V98.6Very high98.4Very high29 Ų2953.4 Ų53.418%0.17627%0.274CS..Hα-helixtrans-63.6-49.6173.7-176.70000110.3F342 E347 A352 I353 M356 P358F342-V350 HydrophobicContact CB-CG2 3.97Å; E347-V350 PolarHBondContact O-N 3.05Å; V350-A352 VanDerWaalsContact C-N 3.27Å; V350-A352 PolarHBondContact O-N 3.29Å; V350-I353 PolarHBondContact O-N 3.29Å; V350-M356 HydrophobicContact CB-CB 4.49Å; V350-M356 HydrophobicContact CG1-CB 3.89Å; V350-M356 WeakPolarHBondContact CG1-O 3.41Å; V350-P358 HydrophobicContact CG1-CG 4.23Å; V350-P358 HydrophobicContact CG2-CG 3.88Å
351S98.3Very high98.3Very high93 Ų9360.8 Ų60.865%0.6531%0.309SS*.Hα-helixtrans-71.8-19-174.8-54.30000113.8E347 I353E347-S351 WeakPolarHBondContact O-CB 3.39Å; E347-S351 PolarHBondContact O-N 2.91Å; E347-S351 PolarHBondContact O-OG 2.67Å; S351-I353 PolarHBondContact O-N 3.47Å
352A98.4Very high98.3Very high31 Ų3164.4 Ų64.426%0.25633%0.329SS..THydrogen-bonded Turntrans-70.2-19.4177.700000112.8T80 R348 V350T80-A352 WeakPolarHBondContact CG2-O 3.39Å; R348-A352 WeakPolarHBondContact O-CB 3.28Å; R348-A352 PolarHBondContact O-N 3.41Å; V350-A352 VanDerWaalsContact C-N 3.27Å; V350-A352 PolarHBondContact O-N 3.29Å
353I98.7Very high98.3Very high3 Ų364.6 Ų64.62%0.01533%0.329CS..SBendtrans-139.3115.8-169.7-59.5-179.4000109.7P81 V83 V350 S351 M356 M404 V405 F406 P407P81-I353 HydrophobicContact CB-CG1 4.42Å; P81-I353 HydrophobicContact CB-CG2 4.29Å; P81-I353 HydrophobicContact CG-CG1 4.33Å; V83-I353 HydrophobicContact CG1-CG2 4.4Å; V83-I353 HydrophobicContact CG2-CG2 4Å; V350-I353 PolarHBondContact O-N 3.29Å; S351-I353 PolarHBondContact O-N 3.47Å; I353-M356 HydrophobicContact CB-CG 4.01Å; I353-M356 HydrophobicContact CG2-CG 4.08Å; I353-M356 PolarHBondContact O-N 2.97Å; I353-M404 HydrophobicContact CG1-SD 4.45Å; I353-V405 VanDerWaalsContact CD1-O 3.29Å; I353-V405 WeakPolarHBondContact CD1-O 3.5Å; I353-F406 HydrophobicContact CD1-CD2 4.48Å; I353-P407 HydrophobicContact CD1-CG 4.13Å; I353-P407 HydrophobicContact CG2-CG 4.31Å
354E98.7Very high98.3Very high102 Ų10263.5 Ų63.548%0.47733%0.326SS..BIsolated β-bridgetrans-71.5130.2176.4-168.7-178.7157.400109.8P81 R82 V83P81-E354 WeakPolarHBondContact O-CB 3.38Å; P81-E354 PolarHBondContact O-N 2.61Å; R82-E354 WeakPolarHBondContact CA-O 3.26Å; R82-E354 HydrophobicContact CB-CB 4.5Å; R82-E354 WeakPolarHBondContact CD-OE2 3.21Å; R82-E354 HydrophobicContact CG-CB 3.96Å; R82-E354 HydrophobicContact CG-CG 4.32Å; R82-E354 WeakPolarHBondContact CG-OE2 3.5Å; R82-E354 IonicContact CZ-OE2 3.94Å; R82-E354 IonicContact NE-OE1 3.51Å; R82-E354 IonicContact NE-OE2 2.81Å; R82-E354 PolarHBondContact NE-OE2 3.12Å; R82-E354 IonicContact NH2-OE2 2.83Å; V83-E354 PolarHBondContact N-O 3.18Å
355G98.1Very high98.3Very high19 Ų1962.1 Ų62.120%0.19632%0.321CS..THydrogen-bonded Turntrans109.7-8.1-171.300000114H341 H357H341-G355 PolarHBondContact ND1-O 3.43Å; G355-H357 PolarHBondContact O-CD2 3.19Å; G355-H357 PolarHBondContact O-N 3.2Å
356M98.7Very high98.3Very high7 Ų762.4 Ų62.43%0.03432%0.319CS..  trans-82.6114.1172.8-62.9-62.295.800111.3F67 V83 H341 F342 V350 I353 P407F67-M356 HydrophobicContact CD1-CE 3.58Å; F67-M356 HydrophobicContact CE1-CE 3.36Å; F67-M356 HydrophobicContact CE2-CE 4.4Å; F67-M356 HydrophobicContact CG-CE 4.2Å; F67-M356 HydrophobicContact CZ-CE 3.79Å; F67-M356 HydrophobicContact CZ-SD 4.45Å; V83-M356 HydrophobicContact CG2-CE 3.54Å; H341-M356 HydrophobicContact CB-SD 4.37Å; F342-M356 HydrophobicContact CD2-CG 3.9Å; F342-M356 HydrophobicContact CD2-SD 3.81Å; F342-M356 HydrophobicContact CE2-CG 3.96Å; F342-M356 HydrophobicContact CE2-SD 3.74Å; V350-M356 HydrophobicContact CB-CB 4.49Å; V350-M356 HydrophobicContact CG1-CB 3.89Å; V350-M356 WeakPolarHBondContact CG1-O 3.41Å; I353-M356 HydrophobicContact CB-CG 4.01Å; I353-M356 HydrophobicContact CG2-CG 4.08Å; I353-M356 PolarHBondContact O-N 2.97Å; M356-P407 HydrophobicContact CE-CG 3.94Å; M356-P407 HydrophobicContact SD-CB 4.34Å; M356-P407 HydrophobicContact SD-CG 3.97Å
357H98.5Very high98.3Very high136 Ų13660.7 Ų60.763%0.6331%0.31SS*.  trans-131.974.1-178.2-61.4-58000110.7H341 G355 N359 H363H341-H357 PolarHBondContact ND1-N 3.32Å; H341-H357 VanDerWaalsContact ND1-N 3.19Å; G355-H357 PolarHBondContact O-CD2 3.19Å; G355-H357 PolarHBondContact O-N 3.2Å; H357-N359 PolarHBondContact O-N 2.93Å; H357-H363 PolarHBondContact O-CE1 2.77Å
358P98.5Very high98.3Very high52 Ų5253 Ų5334%0.33827%0.274SS..  trans-65.5129.9-177.126.1-33.4000111.7H341 V350H341-P358 HydrophobicContact CB-CB 4.23Å; H341-P358 WeakPolarHBondContact O-CB 3.23Å; V350-P358 HydrophobicContact CG1-CG 4.23Å; V350-P358 HydrophobicContact CG2-CG 3.88Å
359N98.3Very high98.3Very high56 Ų5646.9 Ų46.930%0.29925%0.251SS..  trans-134.7154.5169.38073.3000110.2H357 E361 D362 H363H357-N359 PolarHBondContact O-N 2.93Å; N359-E361 PolarHBondContact OD1-N 2.84Å; N359-E361 VanDerWaalsContact OD1-N 3.15Å; N359-D362 PolarHBondContact ND2-OD2 3.2Å; N359-D362 WeakPolarHBondContact OD1-CB 3.36Å; N359-D362 PolarHBondContact OD1-N 3.1Å; N359-D362 PolarHBondContact OD1-OD2 3.08Å; N359-H363 PolarHBondContact N-ND1 2.98Å; N359-H363 VanDerWaalsContact N-ND1 3.19Å; N359-H363 VanDerWaalsContact O-CB 3.25Å; N359-H363 WeakPolarHBondContact O-CB 3.34Å; N359-H363 PolarHBondContact O-N 3Å; N359-H363 PolarHBondContact O-ND1 3.06Å
360K97.8Very high98.2Very high113 Ų11346.4 Ų46.449%0.49125%0.249SC..Hα-helixtrans-69.1-43.9-174.2176.6173.2177.9-178.30112.6Y343 D362 E364Y343-K360 HydrophobicContact CE2-CB 4.07Å; K360-D362 PolarHBondContact O-N 2.8Å; K360-E364 WeakPolarHBondContact CE-OE2 3.44Å; K360-E364 HydrophobicContact CG-CB 4.38Å; K360-E364 HydrophobicContact CG-CG 4.43Å; K360-E364 WeakPolarHBondContact CG-OE2 3.28Å; K360-E364 WeakPolarHBondContact O-CB 3.48Å; K360-E364 WeakPolarHBondContact O-CG 3.2Å; K360-E364 PolarHBondContact O-N 2.77Å
361E96.8Very high98.1Very high156 Ų15646 Ų4673%0.72925%0.247SC*.Hα-helixtrans-65-41.5-171.2-171.1167.3-175.900112.1N359 R382N359-E361 PolarHBondContact OD1-N 2.84Å; N359-E361 VanDerWaalsContact OD1-N 3.15Å; E361-R382 PolarHBondContact O-NH1 2.89Å; E361-R382 PolarHBondContact O-NH2 3.45Å
362D97.7Very high97.9Very high86 Ų8643.2 Ų43.246%0.4623%0.225SC..Hα-helixtrans-89.6-24.8-176.1-57.7-35.2000113.1N359 K360 R382N359-D362 PolarHBondContact ND2-OD2 3.2Å; N359-D362 WeakPolarHBondContact OD1-CB 3.36Å; N359-D362 PolarHBondContact OD1-N 3.1Å; N359-D362 PolarHBondContact OD1-OD2 3.08Å; K360-D362 PolarHBondContact O-N 2.8Å; D362-R382 WeakPolarHBondContact O-CD 3.38Å; D362-R382 PolarHBondContact O-NE 3.35Å; D362-R382 PolarHBondContact O-NH1 3.41Å
363H98.7Very high97.6Very high5 Ų542.1 Ų42.12%0.02322%0.215CC..Hα-helixtrans-117.3-5.3-169.9-50.2150000115.1P340 H341 Y343 H357 N359P340-H363 HydrophobicContact CB-CB 3.83Å; P340-H363 HydrophobicContact CG-CB 4.2Å; H341-H363 AromaticContact CD2-CE1 3.2Å; H341-H363 PolarHBondContact CD2-CE1 3.42Å; H341-H363 AromaticContact CD2-ND1 3.96Å; H341-H363 AromaticContact CD2-NE2 3.23Å; H341-H363 PolarHBondContact CD2-NE2 3.4Å; H341-H363 AromaticContact CG-CE1 3.52Å; H341-H363 AromaticContact NE2-CE1 3.98Å; H341-H363 AromaticContact NE2-NE2 3.81Å; Y343-H363 HydrophobicContact CD1-CB 4.4Å; Y343-H363 HydrophobicContact CG-CB 4.09Å; H357-H363 PolarHBondContact O-CE1 2.77Å; N359-H363 PolarHBondContact N-ND1 2.98Å; N359-H363 VanDerWaalsContact N-ND1 3.19Å; N359-H363 VanDerWaalsContact O-CB 3.25Å; N359-H363 WeakPolarHBondContact O-CB 3.34Å; N359-H363 PolarHBondContact O-N 3Å; N359-H363 PolarHBondContact O-ND1 3.06Å
364E98.4Very high97.5Very high18 Ų1842 Ų428%0.08421%0.214CC..  trans-73143.3172.278.5-175.4166.500111.9K296 Y343 K360 F366 R382K296-E364 VanDerWaalsContact CD-OE2 3.26Å; K296-E364 WeakPolarHBondContact CD-OE2 3.4Å; K296-E364 WeakPolarHBondContact CE-OE1 3.32Å; K296-E364 VanDerWaalsContact CE-OE2 3.25Å; K296-E364 WeakPolarHBondContact CE-OE2 3.42Å; K296-E364 IonicContact NZ-OE1 2.74Å; K296-E364 PolarHBondContact NZ-OE1 2.97Å; K296-E364 IonicContact NZ-OE2 3.68Å; K296-E364 PolarHBondContact NZ-OE2 3.25Å; Y343-E364 HydrophobicContact CE1-CB 3.71Å; K360-E364 WeakPolarHBondContact CE-OE2 3.44Å; K360-E364 HydrophobicContact CG-CB 4.38Å; K360-E364 HydrophobicContact CG-CG 4.43Å; K360-E364 WeakPolarHBondContact CG-OE2 3.28Å; K360-E364 WeakPolarHBondContact O-CB 3.48Å; K360-E364 WeakPolarHBondContact O-CG 3.2Å; K360-E364 PolarHBondContact O-N 2.77Å; E364-F366 HydrophobicContact CG-CD1 4.36Å; E364-R382 WeakPolarHBondContact O-CD 3.3Å; E364-R382 PolarHBondContact O-NH1 3.25Å
365T98.6Very high97.3Very high24 Ų2440.7 Ų40.715%0.14721%0.21CC..  trans-90.3126.4166-72.90000109.4K296 V297 A380 R382K296-T365 WeakPolarHBondContact CA-O 3.45Å; V297-T365 HydrophobicContact CG2-CG2 3.69Å; V297-T365 PolarHBondContact N-O 2.83Å; T365-A380 VanDerWaalsContact CA-O 3.31Å; T365-A380 WeakPolarHBondContact CA-O 3.27Å; T365-R382 PolarHBondContact OG1-N 2.79Å; T365-R382 PolarHBondContact OG1-O 2.95Å
366F98.6Very high97.2Very high26 Ų2640.7 Ų40.711%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-140.2158.1177.477.3-92.6000112.3R294 Y295 K296 E364 K378 A379 A380R294-F366 HydrophobicContact CG-CB 4.2Å; R294-F366 HydrophobicContact CG-CD2 4.48Å; Y295-F366 CarbonylContact O-C 3.43Å; Y295-F366 VanDerWaalsContact O-CA 3.24Å; Y295-F366 WeakPolarHBondContact O-CA 3.41Å; K296-F366 HydrophobicContact CG-CB 3.99Å; E364-F366 HydrophobicContact CG-CD1 4.36Å; F366-K378 HydrophobicContact CE2-CD 4.39Å; F366-K378 HydrophobicContact CE2-CG 4.17Å; F366-K378 HydrophobicContact CZ-CD 4.43Å; F366-K378 HydrophobicContact CZ-CG 4.39Å; F366-A379 WeakPolarHBondContact O-CA 3.5Å; F366-A380 HydrophobicContact CD1-CB 4Å; F366-A380 HydrophobicContact CE1-CB 3.52Å; F366-A380 HydrophobicContact CZ-CB 3.97Å; F366-A380 PolarHBondContact N-O 2.7Å; F366-A380 PolarHBondContact O-N 3.42Å
367V98.5Very high97.1Very high16 Ų1640.3 Ų40.310%0.09720%0.204CC..EExtended strand (participates in β ladder)trans-140.4127.8172.461.20000109.5F256 I279 R294 Y295 I369 I376 A379F256-V367 HydrophobicContact CE2-CG2 4.34Å; I279-V367 HydrophobicContact CD1-CG1 3.44Å; I279-V367 VanDerWaalsContact CD1-CG1 3.44Å; R294-V367 WeakPolarHBondContact CA-O 3.39Å; Y295-V367 PolarHBondContact N-O 2.87Å; Y295-V367 PolarHBondContact O-N 2.91Å; V367-I369 HydrophobicContact CB-CG1 4.44Å; V367-I369 HydrophobicContact CG1-CD1 3.92Å; V367-I369 HydrophobicContact CG1-CG1 4.07Å; V367-I369 HydrophobicContact CG2-CD1 4.29Å; V367-I369 HydrophobicContact CG2-CG1 3.69Å; V367-I376 HydrophobicContact CG2-CB 4.32Å; V367-I376 HydrophobicContact CG2-CD1 3.88Å; V367-I376 HydrophobicContact CG2-CG1 3.79Å; V367-I376 HydrophobicContact CG2-CG2 3.71Å; V367-A379 HydrophobicContact CB-CB 4.1Å; V367-A379 HydrophobicContact CG2-CB 3.91Å
368D98.6Very high97.1Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-99.6106.7176.7-65.9-13.1000108.2V287 A292 F293 R294 L377 K378V287-D368 HydrophobicContact CG2-CB 4.1Å; A292-D368 HydrophobicContact CB-CB 3.94Å; F293-D368 WeakPolarHBondContact O-CA 3.35Å; R294-D368 VanDerWaalsContact CB-OD1 3.31Å; R294-D368 WeakPolarHBondContact CB-OD1 3.27Å; R294-D368 WeakPolarHBondContact CG-OD1 3.47Å; R294-D368 IonicContact CZ-OD1 2.85Å; R294-D368 IonicContact CZ-OD2 3.57Å; R294-D368 IonicContact NE-OD1 3.48Å; R294-D368 PolarHBondContact NE-OD1 3.38Å; R294-D368 IonicContact NE-OD2 3.59Å; R294-D368 IonicContact NH2-OD1 3.49Å; R294-D368 PolarHBondContact NH2-OD1 3Å; R294-D368 IonicContact NH2-OD2 3.89Å; R294-D368 PolarHBondContact NH2-OD2 3.12Å; D368-L377 PolarHBondContact O-N 3.19Å; D368-K378 WeakPolarHBondContact CA-O 3.33Å; D368-K378 HydrophobicContact CB-CB 4.17Å; D368-K378 WeakPolarHBondContact CB-O 3.15Å; D368-K378 PolarHBondContact N-O 3.23Å; D368-K378 PolarHBondContact O-N 3.5Å; D368-K378 WeakPolarHBondContact OD2-CE 3.28Å; D368-K378 IonicContact OD2-NZ 3.95Å; D368-K378 PolarHBondContact OD2-NZ 2.92Å
369I98.3Very high97.1Very high1 Ų135 Ų351%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-108134.2-172.2-49.6166.3000109.2F256 I260 L266 A292 F293 Y295 V367 P371F256-I369 HydrophobicContact CD2-CD1 3.48Å; F256-I369 VanDerWaalsContact CD2-CD1 3.48Å; F256-I369 HydrophobicContact CD2-CG1 4.03Å; F256-I369 HydrophobicContact CD2-CG2 4.34Å; F256-I369 HydrophobicContact CE2-CD1 3.56Å; F256-I369 HydrophobicContact CE2-CG1 4.15Å; F256-I369 HydrophobicContact CG-CD1 4.01Å; F256-I369 HydrophobicContact CZ-CD1 4.15Å; I260-I369 HydrophobicContact CD1-CB 4.38Å; I260-I369 HydrophobicContact CD1-CD1 4.43Å; I260-I369 HydrophobicContact CD1-CG2 3.56Å; L266-I369 HydrophobicContact CD1-CD1 3.49Å; L266-I369 VanDerWaalsContact CD1-CD1 3.49Å; A292-I369 CarbonylContact C-O 3.56Å; A292-I369 VanDerWaalsContact CA-O 3.27Å; A292-I369 WeakPolarHBondContact CA-O 3.28Å; F293-I369 PolarHBondContact N-O 2.95Å; F293-I369 PolarHBondContact O-N 3.16Å; Y295-I369 HydrophobicContact CD2-CD1 3.94Å; Y295-I369 HydrophobicContact CE2-CD1 4.5Å; Y295-I369 HydrophobicContact CG-CD1 4.41Å; V367-I369 HydrophobicContact CB-CG1 4.44Å; V367-I369 HydrophobicContact CG1-CD1 3.92Å; V367-I369 HydrophobicContact CG1-CG1 4.07Å; V367-I369 HydrophobicContact CG2-CD1 4.29Å; V367-I369 HydrophobicContact CG2-CG1 3.69Å; I369-P371 WeakPolarHBondContact O-CD 3.5Å
370N96.6Very high97.1Very high1 Ų132.6 Ų32.61%0.00516%0.164CC..  trans-69.4120.7170.1-176.1-98.7000109.9P291 L372 T373 G374 I375 L377P291-N370 PolarHBondContact O-ND2 2.97Å; N370-L372 VanDerWaalsContact C-N 3.29Å; N370-L372 PolarHBondContact O-N 3.04Å; N370-L372 WeakPolarHBondContact OD1-CB 3.47Å; N370-L372 PolarHBondContact OD1-N 3.39Å; N370-T373 PolarHBondContact O-N 3.17Å; N370-T373 PolarHBondContact OD1-N 3.15Å; N370-T373 PolarHBondContact OD1-OG1 2.85Å; N370-G374 WeakPolarHBondContact O-CA 3.25Å; N370-G374 PolarHBondContact O-N 2.84Å; N370-I375 PolarHBondContact N-O 2.86Å; N370-L377 HydrophobicContact CB-CD1 4.04Å; N370-L377 HydrophobicContact CB-CD2 4.29Å; N370-L377 HydrophobicContact CB-CG 4.16Å
371P95.8Very high97.1Very high22 Ų2230.3 Ų30.314%0.14315%0.154CC..THydrogen-bonded Turntrans-68.9-27-172.126.4-35.2000113.4L259 I260 P291 F293 I369L259-P371 CarbonylContact C-O 3.55Å; L259-P371 VanDerWaalsContact CA-O 3.26Å; L259-P371 WeakPolarHBondContact CA-O 3.34Å; L259-P371 PolarHBondContact N-O 2.75Å; I260-P371 PolarHBondContact N-O 3.28Å; P291-P371 WeakPolarHBondContact O-CD 3.41Å; F293-P371 HydrophobicContact CD1-CB 4.48Å; F293-P371 HydrophobicContact CD1-CG 4.42Å; F293-P371 HydrophobicContact CD2-CB 3.79Å; F293-P371 HydrophobicContact CE1-CB 4.24Å; F293-P371 HydrophobicContact CE1-CG 4.16Å; F293-P371 HydrophobicContact CE2-CB 3.52Å; F293-P371 HydrophobicContact CE2-CG 4.32Å; F293-P371 HydrophobicContact CG-CB 4.26Å; F293-P371 HydrophobicContact CZ-CB 3.77Å; F293-P371 HydrophobicContact CZ-CG 4.11Å; I369-P371 WeakPolarHBondContact O-CD 3.5Å
372L93.5Very high97.2Very high34 Ų3424.3 Ų24.318%0.17813%0.125CC..THydrogen-bonded Turntrans-73.2-44.6179.9-175.870.3000111.1I37 P258 L259 N370 I429 T432I37-L372 HydrophobicContact CD1-CD2 4.24Å; I37-L372 HydrophobicContact CD1-CG 4.29Å; I37-L372 HydrophobicContact CG1-CD1 4.21Å; I37-L372 HydrophobicContact CG1-CG 4.25Å; P258-L372 WeakPolarHBondContact CB-O 3.48Å; L259-L372 HydrophobicContact CD2-CD1 3.82Å; L259-L372 PolarHBondContact N-O 3.2Å; N370-L372 VanDerWaalsContact C-N 3.29Å; N370-L372 PolarHBondContact O-N 3.04Å; N370-L372 WeakPolarHBondContact OD1-CB 3.47Å; N370-L372 PolarHBondContact OD1-N 3.39Å; L372-I429 HydrophobicContact CD2-CG1 4.11Å; L372-T432 HydrophobicContact CD2-CG2 3.9Å
373T93.2Very high97.2Very high7 Ų720.9 Ų20.94%0.04311%0.105CC..THydrogen-bonded Turntrans-104-16.3-17064.10000115.1I41 N370 I375 L425I41-T373 HydrophobicContact CD1-CG2 4.09Å; I41-T373 WeakPolarHBondContact CD1-O 3.25Å; N370-T373 PolarHBondContact O-N 3.17Å; N370-T373 PolarHBondContact OD1-N 3.15Å; N370-T373 PolarHBondContact OD1-OG1 2.85Å; T373-I375 PolarHBondContact O-N 3.04Å; T373-I375 WeakPolarHBondContact OG1-CB 3.42Å; T373-I375 WeakPolarHBondContact OG1-CG1 3.32Å; T373-I375 PolarHBondContact OG1-N 3.32Å; T373-L425 HydrophobicContact CG2-CD1 3.95Å
374G94.9Very high97.2Very high1 Ų120.6 Ų20.61%0.0110%0.104CC..  trans73.16.9-173.100000114.2F256 H257 N370F256-G374 PolarHBondContact N-O 3.21Å; H257-G374 WeakPolarHBondContact O-CA 3.21Å; N370-G374 WeakPolarHBondContact O-CA 3.25Å; N370-G374 PolarHBondContact O-N 2.84Å
375I94.4Very high97.3Very high75 Ų7520.5 Ų20.539%0.38510%0.104SC..  trans-80.4134.7179.4-62171.3000109.9N370 T373 L425N370-I375 PolarHBondContact N-O 2.86Å; T373-I375 PolarHBondContact O-N 3.04Å; T373-I375 WeakPolarHBondContact OG1-CB 3.42Å; T373-I375 WeakPolarHBondContact OG1-CG1 3.32Å; T373-I375 PolarHBondContact OG1-N 3.32Å; I375-L425 HydrophobicContact CD1-CD1 4.5Å
376I96.9Very high97.3Very high18 Ų1819.3 Ų19.39%0.09210%0.097CC..EExtended strand (participates in β ladder)trans-73.3126.6174.2-59.6177.4000109.8G253 D254 F256 V367 A379 V415G253-I376 WeakPolarHBondContact O-CD1 3.23Å; D254-I376 WeakPolarHBondContact O-CD1 3.38Å; F256-I376 HydrophobicContact CD2-CD1 4.35Å; F256-I376 HydrophobicContact CD2-CG1 4.16Å; F256-I376 HydrophobicContact CE2-CD1 3.9Å; F256-I376 HydrophobicContact CE2-CG1 4.08Å; V367-I376 HydrophobicContact CG2-CB 4.32Å; V367-I376 HydrophobicContact CG2-CD1 3.88Å; V367-I376 HydrophobicContact CG2-CG1 3.79Å; V367-I376 HydrophobicContact CG2-CG2 3.71Å; I376-A379 HydrophobicContact CG2-CB 3.89Å; I376-V415 HydrophobicContact CG2-CG1 3.97Å
377L97.2Very high97.3Very high0 Ų018.1 Ų18.10%09%0.092CC..EExtended strand (participates in β ladder)trans-100.9-37.6179.5-56.8-176.3000112.5V287 L290 A292 D368 N370 I417 L425V287-L377 HydrophobicContact CB-CB 3.98Å; V287-L377 HydrophobicContact CB-CD1 4.24Å; V287-L377 HydrophobicContact CG1-CB 4Å; V287-L377 HydrophobicContact CG2-CB 4.31Å; L290-L377 HydrophobicContact CB-CD1 3.72Å; L290-L377 HydrophobicContact CD1-CD1 4.09Å; L290-L377 HydrophobicContact CD1-CD2 3.91Å; A292-L377 HydrophobicContact CB-CD1 4.14Å; D368-L377 PolarHBondContact O-N 3.19Å; N370-L377 HydrophobicContact CB-CD1 4.04Å; N370-L377 HydrophobicContact CB-CD2 4.29Å; N370-L377 HydrophobicContact CB-CG 4.16Å; L377-I417 HydrophobicContact CB-CG2 4.22Å; L377-I417 HydrophobicContact CD2-CD1 3.77Å; L377-I417 WeakPolarHBondContact O-CB 3.48Å; L377-I417 WeakPolarHBondContact O-CG2 3.46Å; L377-I417 PolarHBondContact O-N 2.92Å; L377-L425 HydrophobicContact CD2-CD2 3.72Å
378K98.1Very high97.3Very high61 Ų6120.3 Ų20.327%0.26510%0.099SC..EExtended strand (participates in β ladder)trans-150.9136.7176.6-177179.560.8169.40108.1V287 F366 D368 V415 L416V287-K378 HydrophobicContact CG1-CB 4.13Å; V287-K378 HydrophobicContact CG2-CB 4.08Å; F366-K378 HydrophobicContact CE2-CD 4.39Å; F366-K378 HydrophobicContact CE2-CG 4.17Å; F366-K378 HydrophobicContact CZ-CD 4.43Å; F366-K378 HydrophobicContact CZ-CG 4.39Å; D368-K378 WeakPolarHBondContact CA-O 3.33Å; D368-K378 HydrophobicContact CB-CB 4.17Å; D368-K378 WeakPolarHBondContact CB-O 3.15Å; D368-K378 PolarHBondContact N-O 3.23Å; D368-K378 PolarHBondContact O-N 3.5Å; D368-K378 WeakPolarHBondContact OD2-CE 3.28Å; D368-K378 IonicContact OD2-NZ 3.95Å; D368-K378 PolarHBondContact OD2-NZ 2.92Å; K378-V415 CarbonylContact C-O 3.59Å; K378-V415 VanDerWaalsContact CA-O 3.26Å; K378-V415 WeakPolarHBondContact CA-O 3.43Å; K378-L416 HydrophobicContact CB-CD1 3.99Å; K378-L416 HydrophobicContact CD-CD1 4.02Å; K378-L416 HydrophobicContact CG-CD1 3.95Å
379A98.3Very high97.2Very high16 Ų1620.3 Ų20.313%0.13210%0.099CC..EExtended strand (participates in β ladder)trans-148.8156.5173.900000111.1F366 V367 I376 S414 V415F366-A379 WeakPolarHBondContact O-CA 3.5Å; V367-A379 HydrophobicContact CB-CB 4.1Å; V367-A379 HydrophobicContact CG2-CB 3.91Å; I376-A379 HydrophobicContact CG2-CB 3.89Å; A379-S414 VanDerWaalsContact O-CA 3.25Å; A379-S414 WeakPolarHBondContact O-CA 3.37Å; A379-V415 HydrophobicContact CB-CG1 3.83Å; A379-V415 PolarHBondContact N-O 3.08Å; A379-V415 PolarHBondContact O-N 2.87Å; A379-V415 VanDerWaalsContact O-N 3.1Å
380A98.4Very high97.2Very high4 Ų422.9 Ų22.93%0.03311%0.11CC..EExtended strand (participates in β ladder)trans-139.1104.1168.700000107.8T365 F366 R382 N412T365-A380 VanDerWaalsContact CA-O 3.31Å; T365-A380 WeakPolarHBondContact CA-O 3.27Å; F366-A380 HydrophobicContact CD1-CB 4Å; F366-A380 HydrophobicContact CE1-CB 3.52Å; F366-A380 HydrophobicContact CZ-CB 3.97Å; F366-A380 PolarHBondContact N-O 2.7Å; F366-A380 PolarHBondContact O-N 3.42Å; A380-R382 HydrophobicContact CB-CG 4.43Å; A380-N412 WeakPolarHBondContact CB-OD1 3.47Å
381K98.2Very high97.2Very high66 Ų6627.1 Ų27.129%0.28713%0.128SC..EExtended strand (participates in β ladder)trans-93.3117.4172.7171.4173.9158.8-141.20108.5F383 E413K381-F383 HydrophobicContact CG-CD1 4.42Å; K381-E413 HydrophobicContact CB-CB 4.25Å; K381-E413 VanDerWaalsContact CD-OE2 3.3Å; K381-E413 WeakPolarHBondContact CD-OE2 3.47Å; K381-E413 WeakPolarHBondContact CE-OE2 3.42Å; K381-E413 PolarHBondContact N-O 3.27Å; K381-E413 IonicContact NZ-OE2 3.72Å; K381-E413 PolarHBondContact NZ-OE2 3.42Å; K381-E413 PolarHBondContact O-N 3.34Å
382R98.5Very high97.1Very high30 Ų3027.3 Ų27.311%0.11313%0.128CC..EExtended strand (participates in β ladder)trans-129.7127.5-171.3-54.3179.7-176.6153.5-23.7110.7F339 P340 E361 D362 E364 T365 A380 L411 N412F339-R382 WeakPolarHBondContact CD1-O 3.38Å; P340-R382 HydrophobicContact CG-CB 3.82Å; E361-R382 PolarHBondContact O-NH1 2.89Å; E361-R382 PolarHBondContact O-NH2 3.45Å; D362-R382 WeakPolarHBondContact O-CD 3.38Å; D362-R382 PolarHBondContact O-NE 3.35Å; D362-R382 PolarHBondContact O-NH1 3.41Å; E364-R382 WeakPolarHBondContact O-CD 3.3Å; E364-R382 PolarHBondContact O-NH1 3.25Å; T365-R382 PolarHBondContact OG1-N 2.79Å; T365-R382 PolarHBondContact OG1-O 2.95Å; A380-R382 HydrophobicContact CB-CG 4.43Å; R382-L411 VanDerWaalsContact CA-O 3.26Å; R382-L411 WeakPolarHBondContact CA-O 3.26Å; R382-N412 HydrophobicContact CG-CB 4.19Å; R382-N412 WeakPolarHBondContact CG-OD1 3.47Å; R382-N412 PolarHBondContact NE-OD1 2.96Å
383F98.3Very high97.1Very high13 Ų1332.3 Ų32.36%0.05716%0.155CC..EExtended strand (participates in β ladder)trans-151.5158.8174.661.6-94.4000110.4F273 M337 S338 K381 Y410 L411F273-F383 HydrophobicContact CE2-CB 4.31Å; M337-F383 HydrophobicContact CE-CB 4.45Å; M337-F383 HydrophobicContact CE-CD2 3.28Å; M337-F383 HydrophobicContact CE-CE2 3.6Å; M337-F383 HydrophobicContact CE-CG 4Å; M337-F383 HydrophobicContact SD-CD2 4.46Å; S338-F383 CarbonylContact O-C 3.53Å; S338-F383 WeakPolarHBondContact O-CA 3.31Å; K381-F383 HydrophobicContact CG-CD1 4.42Å; F383-Y410 VanDerWaalsContact O-CA 3.28Å; F383-Y410 WeakPolarHBondContact O-CA 3.36Å; F383-Y410 VanDerWaalsContact O-CB 3.3Å; F383-Y410 WeakPolarHBondContact O-CB 3.41Å; F383-L411 HydrophobicContact CD1-CD1 3.99Å; F383-L411 HydrophobicContact CD1-CG 4.42Å; F383-L411 HydrophobicContact CD2-CG 4.44Å; F383-L411 HydrophobicContact CE1-CD1 3.55Å; F383-L411 HydrophobicContact CE1-CD2 4.13Å; F383-L411 HydrophobicContact CE1-CG 4.03Å; F383-L411 HydrophobicContact CE2-CD1 4.48Å; F383-L411 HydrophobicContact CE2-CD2 3.77Å; F383-L411 HydrophobicContact CE2-CG 4.05Å; F383-L411 HydrophobicContact CZ-CD1 3.85Å; F383-L411 HydrophobicContact CZ-CD2 3.52Å; F383-L411 HydrophobicContact CZ-CG 3.86Å; F383-L411 PolarHBondContact N-O 2.93Å; F383-L411 PolarHBondContact O-N 3.49Å
384Q98.8Very high96.9Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-119.9135.4-175-178.4169.4-69.200110.3F67 M337 S338 N386 M409F67-Q384 HydrophobicContact CE2-CG 4.35Å; F67-Q384 VanDerWaalsContact CE2-OE1 3.32Å; M337-Q384 WeakPolarHBondContact CA-O 3.34Å; S338-Q384 PolarHBondContact N-O 3.13Å; S338-Q384 PolarHBondContact O-N 3.29Å; S338-Q384 WeakPolarHBondContact OG-CB 3.4Å; S338-Q384 PolarHBondContact OG-NE2 3.48Å; Q384-N386 WeakPolarHBondContact CG-OD1 3.42Å; Q384-N386 PolarHBondContact NE2-OD1 3Å; Q384-N386 PolarHBondContact O-ND2 3.12Å; Q384-M409 WeakPolarHBondContact CA-O 2.99Å; Q384-M409 WeakPolarHBondContact CG-O 3.49Å
385I98.8Very high96.8Very high15 Ų1537.1 Ų37.18%0.07718%0.18CC..EExtended strand (participates in β ladder)trans-94.8123.8171.2-59.7-177.1000107.6L201 I335 M337 V408 M409L201-I385 HydrophobicContact CD2-CD1 4.34Å; L201-I385 HydrophobicContact CD2-CG2 4.26Å; I335-I385 HydrophobicContact CG2-CG2 3.97Å; M337-I385 HydrophobicContact SD-CG1 4.2Å; I385-V408 PolarHBondContact O-N 2.74Å; I385-M409 HydrophobicContact CB-CG 4.42Å; I385-M409 HydrophobicContact CD1-CE 3.93Å; I385-M409 PolarHBondContact N-O 3.15Å; I385-M409 PolarHBondContact O-N 3.4Å
386N98.9Very high96.6Very high0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-124.7164.2175.6-43.4-86.7000109.8I335 I336 S338 F342 Q384 V405 F406 P407I335-N386 WeakPolarHBondContact CA-O 3.47Å; I336-N386 HydrophobicContact CB-CB 4.22Å; I336-N386 PolarHBondContact N-O 3.37Å; I336-N386 WeakPolarHBondContact O-CA 3.45Å; I336-N386 VanDerWaalsContact O-CB 3.26Å; I336-N386 WeakPolarHBondContact O-CB 3.49Å; I336-N386 PolarHBondContact O-N 2.88Å; I336-N386 PolarHBondContact O-ND2 2.88Å; S338-N386 WeakPolarHBondContact CB-ND2 3.39Å; S338-N386 PolarHBondContact OG-ND2 2.93Å; F342-N386 WeakPolarHBondContact CE1-OD1 3.28Å; F342-N386 VanDerWaalsContact CZ-OD1 3.32Å; F342-N386 WeakPolarHBondContact CZ-OD1 3.17Å; Q384-N386 WeakPolarHBondContact CG-OD1 3.42Å; Q384-N386 PolarHBondContact NE2-OD1 3Å; Q384-N386 PolarHBondContact O-ND2 3.12Å; N386-V405 HydrophobicContact CB-CG1 3.39Å; N386-F406 CarbonylContact C-O 3.5Å; N386-F406 WeakPolarHBondContact CA-O 3.47Å; N386-F406 WeakPolarHBondContact CB-O 3.27Å; N386-P407 VanDerWaalsContact OD1-CA 3.29Å; N386-P407 WeakPolarHBondContact OD1-CA 3.44Å; N386-P407 WeakPolarHBondContact OD1-CB 3.23Å
387I98.6Very high96.4Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-122.4128.3176.9-58.6-65.6000108.8L136 I138 L141 P334 I335 V389 F406 V408L136-I387 HydrophobicContact CD1-CB 3.88Å; L136-I387 HydrophobicContact CD1-CG2 4.03Å; I138-I387 HydrophobicContact CD1-CD1 4.01Å; I138-I387 HydrophobicContact CD1-CG1 4.17Å; I138-I387 HydrophobicContact CG1-CD1 3.94Å; I138-I387 HydrophobicContact CG1-CG1 4Å; I138-I387 HydrophobicContact CG2-CD1 3.95Å; L141-I387 HydrophobicContact CD1-CG2 3.6Å; P334-I387 HydrophobicContact CG-CG2 4.11Å; P334-I387 CarbonylContact O-C 3.55Å; P334-I387 WeakPolarHBondContact O-CA 3.42Å; I335-I387 HydrophobicContact CG1-CD1 3.94Å; I387-V389 PolarHBondContact O-N 3.03Å; I387-F406 PolarHBondContact N-O 3.34Å; I387-F406 WeakPolarHBondContact O-CB 3.4Å; I387-F406 PolarHBondContact O-N 3.15Å; I387-V408 HydrophobicContact CG1-CG2 3.63Å
388Y98.1Very high96.2Very high62 Ų6239.8 Ų39.824%0.24320%0.199CC..EExtended strand (participates in β ladder)trans-74122.3170.2-173.7-104.6000109.1L319 P334 K390 T403 V405L319-Y388 HydrophobicContact CD1-CD2 4.34Å; L319-Y388 HydrophobicContact CD2-CD2 4.2Å; L319-Y388 HydrophobicContact CD2-CE2 3.8Å; P334-Y388 PolarHBondContact O-N 3.28Å; Y388-K390 HydrophobicContact CE1-CB 4.49Å; Y388-K390 HydrophobicContact CE1-CD 4.09Å; Y388-K390 HydrophobicContact CE1-CG 4.39Å; Y388-T403 HydrophobicContact CE2-CG2 4.05Å; Y388-T403 WeakPolarHBondContact OH-CG2 3.21Å; Y388-V405 HydrophobicContact CD2-CG2 4.26Å
389V97.6Very high96.1Very high1 Ų138.1 Ų38.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-128.4141.8-179.2690000110L136 L141 I387 I401 T403 M404 F406L136-V389 HydrophobicContact CD1-CB 4.46Å; L141-V389 HydrophobicContact CD2-CG2 4.29Å; I387-V389 PolarHBondContact O-N 3.03Å; V389-I401 HydrophobicContact CG1-CD1 4.02Å; V389-I401 HydrophobicContact CG2-CD1 3.73Å; V389-I401 HydrophobicContact CG2-CG1 4.47Å; V389-I401 HydrophobicContact CG2-CG2 4.13Å; V389-T403 CarbonylContact O-C 3.56Å; V389-T403 VanDerWaalsContact O-CA 3.28Å; V389-T403 WeakPolarHBondContact O-CA 3.39Å; V389-M404 HydrophobicContact CG1-CE 4.25Å; V389-M404 HydrophobicContact CG1-CG 3.78Å; V389-M404 PolarHBondContact N-O 2.96Å; V389-M404 PolarHBondContact O-N 3.41Å; V389-F406 HydrophobicContact CG1-CB 4.13Å; V389-F406 HydrophobicContact CG1-CD2 4.48Å
390K97.3Very high96.1Very high55 Ų5541.6 Ų41.624%0.23922%0.216CC..  trans-149.2155.1-179.658.9178.2167.7-177.80109.7E145 Y388 L392 T403E145-K390 WeakPolarHBondContact OE1-CE 3.44Å; E145-K390 IonicContact OE1-NZ 3.73Å; E145-K390 PolarHBondContact OE1-NZ 3Å; Y388-K390 HydrophobicContact CE1-CB 4.49Å; Y388-K390 HydrophobicContact CE1-CD 4.09Å; Y388-K390 HydrophobicContact CE1-CG 4.39Å; K390-L392 HydrophobicContact CD-CD2 4.1Å; K390-L392 HydrophobicContact CG-CD2 4.34Å; K390-L392 HydrophobicContact CG-CG 4.27Å; K390-T403 HydrophobicContact CB-CG2 4.13Å
391K97.4Very high96.1Very high89 Ų8941.6 Ų41.639%0.38722%0.215SC..  trans-64.5136.7166172.3172.8-178.3159.80110.5D393 G399 D400K391-D393 WeakPolarHBondContact CE-OD1 3.38Å; K391-D393 IonicContact NZ-OD1 3.88Å; K391-G399 WeakPolarHBondContact CG-O 3.45Å; K391-D400 IonicContact NZ-OD1 3.56Å; K391-D400 PolarHBondContact NZ-OD1 3.23Å
392L94.6Very high96Very high26 Ų2643.9 Ų43.914%0.13622%0.222CC..  trans-133.7119.5171.4-67.4173000109.4I144 Q148 K390 D394 F395 T398I144-L392 HydrophobicContact CG2-CD1 3.42Å; I144-L392 VanDerWaalsContact CG2-CD1 3.42Å; Q148-L392 HydrophobicContact CG-CD1 4.47Å; K390-L392 HydrophobicContact CD-CD2 4.1Å; K390-L392 HydrophobicContact CG-CD2 4.34Å; K390-L392 HydrophobicContact CG-CG 4.27Å; L392-D394 PolarHBondContact O-N 3.07Å; L392-F395 HydrophobicContact CB-CB 4.29Å; L392-F395 HydrophobicContact CB-CD2 3.92Å; L392-F395 HydrophobicContact CD1-CD2 3.9Å; L392-F395 HydrophobicContact CD1-CE2 4.44Å; L392-F395 CarbonylContact O-C 3.6Å; L392-F395 PolarHBondContact O-N 3.25Å; L392-F395 VanDerWaalsContact O-O 3.06Å; L392-T398 HydrophobicContact CB-CG2 4.3Å; L392-T398 PolarHBondContact N-OG1 2.87Å; L392-T398 PolarHBondContact O-OG1 2.94Å
393D92.4Very high96Very high139 Ų13946.7 Ų46.774%0.74324%0.242SC*.THydrogen-bonded Turntrans-63.9-27.4-177.1-64.4-35000112.9K391 F395K391-D393 WeakPolarHBondContact CE-OD1 3.38Å; K391-D393 IonicContact NZ-OD1 3.88Å; D393-F395 VanDerWaalsContact C-N 3.27Å; D393-F395 PolarHBondContact O-N 3.19Å
394D90.2Very high96Very high106 Ų10646.7 Ų46.757%0.56724%0.243SC*.THydrogen-bonded Turntrans-72.5-18.1176.6-66.2-22.1000112.9R153 L392R153-D394 IonicContact NH2-OD2 2.59Å; L392-D394 PolarHBondContact O-N 3.07Å
395F90.7Very high96Very high4 Ų447 Ų472%0.01825%0.245CC..  trans-125.198.5-174.1-62.6-84.2000111.2I144 E157 L160 L392 D393 E397 T398I144-F395 HydrophobicContact CD1-CB 4.28Å; I144-F395 HydrophobicContact CD1-CD1 4.03Å; I144-F395 HydrophobicContact CD1-CG 4.15Å; I144-F395 HydrophobicContact CG1-CD1 3.76Å; I144-F395 HydrophobicContact CG1-CE1 3.92Å; I144-F395 HydrophobicContact CG1-CG 4.15Å; I144-F395 HydrophobicContact CG1-CZ 4.46Å; I144-F395 HydrophobicContact CG2-CD2 4Å; I144-F395 HydrophobicContact CG2-CE2 4.08Å; I144-F395 HydrophobicContact CG2-CG 4.25Å; I144-F395 HydrophobicContact CG2-CZ 4.37Å; E157-F395 HydrophobicContact CG-CE1 3.97Å; E157-F395 HydrophobicContact CG-CZ 3.85Å; L160-F395 HydrophobicContact CD1-CD1 3.84Å; L160-F395 HydrophobicContact CD1-CE1 3.73Å; L392-F395 HydrophobicContact CB-CB 4.29Å; L392-F395 HydrophobicContact CB-CD2 3.92Å; L392-F395 HydrophobicContact CD1-CD2 3.9Å; L392-F395 HydrophobicContact CD1-CE2 4.44Å; L392-F395 CarbonylContact O-C 3.6Å; L392-F395 PolarHBondContact O-N 3.25Å; L392-F395 VanDerWaalsContact O-O 3.06Å; D393-F395 VanDerWaalsContact C-N 3.27Å; D393-F395 PolarHBondContact O-N 3.19Å; F395-E397 PolarHBondContact O-N 2.85Å; F395-E397 VanDerWaalsContact O-N 3.11Å; F395-T398 HydrophobicContact CB-CG2 4.14Å; F395-T398 PolarHBondContact O-N 3.03Å; F395-T398 PolarHBondContact O-OG1 3.08Å
396V91.1Very high96Very high126 Ų12646.3 Ų46.376%0.76424%0.241SC*.G310 helixtrans-59.3-24.4-178.9-62.60000113.1T398 G399V396-T398 PolarHBondContact O-N 3.16Å; V396-G399 PolarHBondContact O-N 3.02Å; V396-G399 VanDerWaalsContact O-N 3.14Å
397E92.1Very high96Very high20 Ų2046.3 Ų46.39%0.09324%0.241CC..G310 helixtrans-59.1-30.1176.1-6180.8-178.300111.7Q165 L167 F395 G399Q165-E397 VanDerWaalsContact O-CG 3.29Å; Q165-E397 WeakPolarHBondContact O-CG 3.41Å; L167-E397 WeakPolarHBondContact CB-O 3.42Å; F395-E397 PolarHBondContact O-N 2.85Å; F395-E397 VanDerWaalsContact O-N 3.11Å; E397-G399 VanDerWaalsContact C-N 3.33Å
398T94.7Very high96Very high2 Ų246.3 Ų46.31%0.01224%0.241CC..G310 helixtrans-76.5-18.8-179.8680000113.5L392 F395 V396 D400 I401L392-T398 HydrophobicContact CB-CG2 4.3Å; L392-T398 PolarHBondContact N-OG1 2.87Å; L392-T398 PolarHBondContact O-OG1 2.94Å; F395-T398 HydrophobicContact CB-CG2 4.14Å; F395-T398 PolarHBondContact O-N 3.03Å; F395-T398 PolarHBondContact O-OG1 3.08Å; V396-T398 PolarHBondContact O-N 3.16Å; T398-D400 PolarHBondContact O-N 2.9Å; T398-I401 VanDerWaalsContact O-CB 3.29Å; T398-I401 WeakPolarHBondContact O-CB 3.47Å; T398-I401 WeakPolarHBondContact O-CG2 3.36Å; T398-I401 PolarHBondContact O-N 3.21Å
399G94.9Very high96Very high27 Ų2743.4 Ų43.428%0.27823%0.23SC..THydrogen-bonded Turntrans51.9-135.2-177.800000113K391 V396 E397K391-G399 WeakPolarHBondContact CG-O 3.45Å; V396-G399 PolarHBondContact O-N 3.02Å; V396-G399 VanDerWaalsContact O-N 3.14Å; E397-G399 VanDerWaalsContact C-N 3.33Å
400D97.8Very high96.1Very high89 Ų8944 Ų4448%0.47623%0.232SC..THydrogen-bonded Turntrans-103.628.6174.8-67.6-47.1000112.3L76 G78 K391 T398 R402L76-D400 WeakPolarHBondContact O-CA 3.32Å; L76-D400 PolarHBondContact O-N 3.41Å; G78-D400 WeakPolarHBondContact CA-O 3.5Å; G78-D400 PolarHBondContact N-O 3.4Å; K391-D400 IonicContact NZ-OD1 3.56Å; K391-D400 PolarHBondContact NZ-OD1 3.23Å; T398-D400 PolarHBondContact O-N 2.9Å; D400-R402 PolarHBondContact O-N 3.38Å
401I98.1Very high96.2Very high4 Ų441.5 Ų41.52%0.02122%0.221CC..  trans-58.6139.5-177.9-163.7163.2000112I75 L167 F168 V389 T398 M404I75-I401 HydrophobicContact CG2-CD1 3.55Å; I75-I401 HydrophobicContact CG2-CG1 3.7Å; L167-I401 HydrophobicContact CD2-CD1 3.68Å; F168-I401 HydrophobicContact CZ-CD1 4.41Å; V389-I401 HydrophobicContact CG1-CD1 4.02Å; V389-I401 HydrophobicContact CG2-CD1 3.73Å; V389-I401 HydrophobicContact CG2-CG1 4.47Å; V389-I401 HydrophobicContact CG2-CG2 4.13Å; T398-I401 VanDerWaalsContact O-CB 3.29Å; T398-I401 WeakPolarHBondContact O-CB 3.47Å; T398-I401 WeakPolarHBondContact O-CG2 3.36Å; T398-I401 PolarHBondContact O-N 3.21Å; I401-M404 HydrophobicContact CD1-CE 4Å; I401-M404 HydrophobicContact CG1-CE 3.62Å
402R97.8Very high96.2Very high113 Ų11338 Ų3843%0.42621%0.207SC..  trans-67.5147175.2-62.2-175.3-176.9170.27.5111G78 T80 D400 M404G78-R402 VanDerWaalsContact O-CZ 3.22Å; G78-R402 PolarHBondContact O-NE 3.33Å; G78-R402 PolarHBondContact O-NH2 2.97Å; T80-R402 PolarHBondContact OG1-NH1 2.73Å; D400-R402 PolarHBondContact O-N 3.38Å; R402-M404 HydrophobicContact CB-CE 4.13Å; R402-M404 HydrophobicContact CB-SD 4.27Å; R402-M404 PolarHBondContact O-N 3.15Å
403T98.2Very high96.4Very high89 Ų8937.6 Ų37.655%0.54620%0.204SC..  trans-71.1115168.9-57.20000110Y388 V389 K390Y388-T403 HydrophobicContact CE2-CG2 4.05Å; Y388-T403 WeakPolarHBondContact OH-CG2 3.21Å; V389-T403 CarbonylContact O-C 3.56Å; V389-T403 VanDerWaalsContact O-CA 3.28Å; V389-T403 WeakPolarHBondContact O-CA 3.39Å; K390-T403 HydrophobicContact CB-CG2 4.13Å
404M98.1Very high96.7Very high14 Ų1432.4 Ų32.47%0.06918%0.179CC..EExtended strand (participates in β ladder)trans-159.4167.9-176.260.4-164.5152.200113.1I75 P81 I353 V389 I401 R402 F406I75-M404 HydrophobicContact CG2-CE 4.09Å; P81-M404 HydrophobicContact CG-CE 3.43Å; P81-M404 VanDerWaalsContact CG-CE 3.43Å; P81-M404 HydrophobicContact CG-SD 3.52Å; P81-M404 VanDerWaalsContact CG-SD 3.52Å; I353-M404 HydrophobicContact CG1-SD 4.45Å; V389-M404 HydrophobicContact CG1-CE 4.25Å; V389-M404 HydrophobicContact CG1-CG 3.78Å; V389-M404 PolarHBondContact N-O 2.96Å; V389-M404 PolarHBondContact O-N 3.41Å; I401-M404 HydrophobicContact CD1-CE 4Å; I401-M404 HydrophobicContact CG1-CE 3.62Å; R402-M404 HydrophobicContact CB-CE 4.13Å; R402-M404 HydrophobicContact CB-SD 4.27Å; R402-M404 PolarHBondContact O-N 3.15Å; M404-F406 HydrophobicContact CE-CD2 4.12Å; M404-F406 HydrophobicContact CE-CE2 4.48Å; M404-F406 HydrophobicContact SD-CD2 4.45Å
405V98.6Very high97Very high6 Ų628.4 Ų28.44%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-96.6107.4170178.10000107.5L319 I336 F342 F349 I353 N386 Y388L319-V405 HydrophobicContact CD1-CG2 4.48Å; I336-V405 HydrophobicContact CB-CG1 3.96Å; I336-V405 HydrophobicContact CG1-CG1 4.36Å; I336-V405 HydrophobicContact CG2-CG1 3.88Å; I336-V405 HydrophobicContact CG2-CG2 4.44Å; F342-V405 HydrophobicContact CE1-CB 4.45Å; F342-V405 HydrophobicContact CE1-CG1 3.83Å; F342-V405 HydrophobicContact CZ-CG1 4.12Å; F342-V405 WeakPolarHBondContact CZ-O 3.49Å; F349-V405 HydrophobicContact CD1-CB 4.12Å; F349-V405 HydrophobicContact CD1-CG2 4.06Å; F349-V405 HydrophobicContact CE1-CB 4.24Å; F349-V405 HydrophobicContact CE1-CG2 3.67Å; I353-V405 VanDerWaalsContact CD1-O 3.29Å; I353-V405 WeakPolarHBondContact CD1-O 3.5Å; N386-V405 HydrophobicContact CB-CG1 3.39Å; Y388-V405 HydrophobicContact CD2-CG2 4.26Å
406F98.8Very high97.3Very high0 Ų032.5 Ų32.50%018%0.18CC..EExtended strand (participates in β ladder)trans-96.9122.1-170.8-160.8-75.4000111.5V69 I75 P81 V83 L136 F168 I353 N386 I387 V389 M404V69-F406 HydrophobicContact CG1-CZ 4.48Å; V69-F406 HydrophobicContact CG2-CE1 3.67Å; V69-F406 HydrophobicContact CG2-CZ 3.57Å; I75-F406 HydrophobicContact CD1-CE2 4.19Å; I75-F406 HydrophobicContact CD1-CZ 4.33Å; P81-F406 HydrophobicContact CB-CE2 3.7Å; P81-F406 HydrophobicContact CB-CZ 4.26Å; P81-F406 HydrophobicContact CG-CD2 4.28Å; P81-F406 HydrophobicContact CG-CE2 3.77Å; V83-F406 HydrophobicContact CG1-CZ 4.43Å; L136-F406 HydrophobicContact CD1-CB 3.6Å; L136-F406 HydrophobicContact CD1-CD1 3.69Å; L136-F406 HydrophobicContact CD1-CD2 4.3Å; L136-F406 HydrophobicContact CD1-CE1 4.47Å; L136-F406 HydrophobicContact CD1-CG 3.6Å; L136-F406 HydrophobicContact CG-CD1 3.99Å; L136-F406 HydrophobicContact CG-CE1 4.31Å; L136-F406 HydrophobicContact CG-CG 4.23Å; F168-F406 HydrophobicContact CE1-CE1 4.49Å; F168-F406 HydrophobicContact CE1-CE2 4.27Å; F168-F406 AromaticContact CE1-CZ 3.91Å; F168-F406 HydrophobicContact CE1-CZ 3.91Å; F168-F406 HydrophobicContact CZ-CE2 4.33Å; F168-F406 HydrophobicContact CZ-CZ 4.39Å; I353-F406 HydrophobicContact CD1-CD2 4.48Å; N386-F406 CarbonylContact C-O 3.5Å; N386-F406 WeakPolarHBondContact CA-O 3.47Å; N386-F406 WeakPolarHBondContact CB-O 3.27Å; I387-F406 PolarHBondContact N-O 3.34Å; I387-F406 WeakPolarHBondContact O-CB 3.4Å; I387-F406 PolarHBondContact O-N 3.15Å; V389-F406 HydrophobicContact CG1-CB 4.13Å; V389-F406 HydrophobicContact CG1-CD2 4.48Å; M404-F406 HydrophobicContact CE-CD2 4.12Å; M404-F406 HydrophobicContact CE-CE2 4.48Å; M404-F406 HydrophobicContact SD-CD2 4.45Å
407P98.8Very high97.5Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-78.4136.1-175.736-37.4000110.4F67 F342 I353 M356 N386F67-P407 HydrophobicContact CB-CG 4.5Å; F67-P407 HydrophobicContact CD2-CB 3.55Å; F67-P407 HydrophobicContact CD2-CG 4.09Å; F67-P407 HydrophobicContact CE2-CB 3.82Å; F67-P407 HydrophobicContact CG-CB 4.22Å; F67-P407 HydrophobicContact CG-CG 4.26Å; F342-P407 HydrophobicContact CE2-CB 4.43Å; F342-P407 HydrophobicContact CE2-CG 4.44Å; F342-P407 HydrophobicContact CZ-CB 4.32Å; I353-P407 HydrophobicContact CD1-CG 4.13Å; I353-P407 HydrophobicContact CG2-CG 4.31Å; M356-P407 HydrophobicContact CE-CG 3.94Å; M356-P407 HydrophobicContact SD-CB 4.34Å; M356-P407 HydrophobicContact SD-CG 3.97Å; N386-P407 VanDerWaalsContact OD1-CA 3.29Å; N386-P407 WeakPolarHBondContact OD1-CA 3.44Å; N386-P407 WeakPolarHBondContact OD1-CB 3.23Å
408V98.8Very high97.5Very high1 Ų128.2 Ų28.21%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-107.3-53.6178.41750000109.9F67 T135 I138 L201 I385 I387F67-V408 PolarHBondContact N-O 3.37Å; T135-V408 HydrophobicContact CG2-CG1 4.23Å; I138-V408 HydrophobicContact CD1-CG1 4.29Å; I138-V408 HydrophobicContact CD1-CG2 4.26Å; L201-V408 HydrophobicContact CD1-CG1 4.15Å; I385-V408 PolarHBondContact O-N 2.74Å; I387-V408 HydrophobicContact CG1-CG2 3.63Å
409M98.8Very high97.3Very high0 Ų035.9 Ų35.90%019%0.186CC..EExtended strand (participates in β ladder)trans-157.2160.1176.568.5164.6-134.500110.7F64 Y65 F66 L177 L201 F202 Q384 I385 L411F64-M409 HydrophobicContact CD1-CE 3.56Å; F64-M409 HydrophobicContact CD1-SD 4.04Å; F64-M409 HydrophobicContact CE1-CE 3.86Å; Y65-M409 CarbonylContact O-C 3.58Å; Y65-M409 WeakPolarHBondContact O-CA 3.47Å; Y65-M409 VanDerWaalsContact O-CB 3.22Å; Y65-M409 WeakPolarHBondContact O-CB 3.4Å; F66-M409 HydrophobicContact CD1-CB 3.78Å; F66-M409 HydrophobicContact CE1-CB 3.92Å; F66-M409 HydrophobicContact CE1-CG 4.3Å; F66-M409 HydrophobicContact CE1-SD 3.93Å; F66-M409 HydrophobicContact CE2-SD 4.27Å; F66-M409 HydrophobicContact CG-CB 4.1Å; F66-M409 HydrophobicContact CZ-CB 4.34Å; F66-M409 HydrophobicContact CZ-SD 3.69Å; L177-M409 HydrophobicContact CD2-CE 4.39Å; L177-M409 HydrophobicContact CD2-SD 3.88Å; L201-M409 HydrophobicContact CD1-CE 4.45Å; L201-M409 HydrophobicContact CD1-CG 3.83Å; L201-M409 HydrophobicContact CD1-SD 3.45Å; L201-M409 WeakPolarHBondContact CD1-SD 3.45Å; F202-M409 HydrophobicContact CD2-CE 4.31Å; F202-M409 HydrophobicContact CE2-CE 3.59Å; F202-M409 HydrophobicContact CZ-CE 4.45Å; Q384-M409 WeakPolarHBondContact CA-O 2.99Å; Q384-M409 WeakPolarHBondContact CG-O 3.49Å; I385-M409 HydrophobicContact CB-CG 4.42Å; I385-M409 HydrophobicContact CD1-CE 3.93Å; I385-M409 PolarHBondContact N-O 3.15Å; I385-M409 PolarHBondContact O-N 3.4Å; M409-L411 HydrophobicContact CE-CD2 4.03Å
410Y98.9Very high97.1Very high13 Ų1342.1 Ų42.15%0.05121%0.208CC..EExtended strand (participates in β ladder)trans-123.8169.4158.975.3-88000110.5Y65 F67 E85 P340 H341 F383Y65-Y410 HydrophobicContact CD1-CE1 4.48Å; Y65-Y410 HydrophobicContact CD1-CE2 4.45Å; Y65-Y410 AromaticContact CD1-CZ 3.88Å; Y65-Y410 WeakPolarHBondContact CD1-OH 3.47Å; Y65-Y410 AromaticContact CD2-CD2 3.91Å; Y65-Y410 HydrophobicContact CD2-CD2 3.91Å; Y65-Y410 HydrophobicContact CD2-CE1 4.31Å; Y65-Y410 AromaticContact CD2-CE2 3.3Å; Y65-Y410 HydrophobicContact CD2-CE2 3.3Å; Y65-Y410 AromaticContact CD2-CZ 3.55Å; Y65-Y410 AromaticContact CE2-CE2 3.85Å; Y65-Y410 HydrophobicContact CE2-CE2 3.85Å; Y65-Y410 HydrophobicContact CG-CD2 4.38Å; Y65-Y410 AromaticContact CG-CE1 3.83Å; Y65-Y410 HydrophobicContact CG-CE1 3.83Å; Y65-Y410 AromaticContact CG-CE2 3.66Å; Y65-Y410 HydrophobicContact CG-CE2 3.66Å; Y65-Y410 AromaticContact CG-CZ 3.34Å; Y65-Y410 PolarHBondContact N-O 3.15Å; Y65-Y410 PolarHBondContact O-N 2.82Å; F67-Y410 AromaticContact CE2-CD1 3.86Å; F67-Y410 HydrophobicContact CE2-CD1 3.86Å; F67-Y410 AromaticContact CZ-CD1 3.64Å; F67-Y410 HydrophobicContact CZ-CD1 3.64Å; F67-Y410 AromaticContact CZ-CE1 3.95Å; F67-Y410 HydrophobicContact CZ-CE1 3.95Å; E85-Y410 HydrophobicContact CG-CE1 4.44Å; E85-Y410 WeakPolarHBondContact OE2-CE1 3.47Å; E85-Y410 VanDerWaalsContact OE2-CZ 3.25Å; E85-Y410 PolarHBondContact OE2-OH 3.18Å; P340-Y410 HydrophobicContact CB-CD1 4.16Å; P340-Y410 HydrophobicContact CB-CD2 3.66Å; P340-Y410 HydrophobicContact CB-CE2 4.11Å; P340-Y410 HydrophobicContact CB-CG 3.69Å; P340-Y410 HydrophobicContact CG-CD2 3.62Å; P340-Y410 HydrophobicContact CG-CE2 4.29Å; P340-Y410 HydrophobicContact CG-CG 3.95Å; H341-Y410 AromaticContact NE2-CE1 3.78Å; F383-Y410 VanDerWaalsContact O-CA 3.28Å; F383-Y410 WeakPolarHBondContact O-CA 3.36Å; F383-Y410 VanDerWaalsContact O-CB 3.3Å; F383-Y410 WeakPolarHBondContact O-CB 3.41Å
411L98.6Very high96.6Very high3 Ų339.7 Ų39.72%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-135158.3175.565.981.1000112.4T62 Q63 F64 F202 R382 F383 M409 E413T62-L411 HydrophobicContact CG2-CB 4.28Å; T62-L411 HydrophobicContact CG2-CD1 4.48Å; T62-L411 HydrophobicContact CG2-CD2 4.42Å; Q63-L411 CarbonylContact O-C 3.53Å; Q63-L411 WeakPolarHBondContact O-CA 3.34Å; Q63-L411 WeakPolarHBondContact O-CB 3.24Å; F64-L411 HydrophobicContact CD1-CB 3.85Å; F64-L411 HydrophobicContact CD1-CD2 4.2Å; F64-L411 HydrophobicContact CE1-CB 4.2Å; F64-L411 HydrophobicContact CE1-CD2 3.79Å; F202-L411 HydrophobicContact CE2-CD2 4.17Å; F202-L411 HydrophobicContact CZ-CD2 3.62Å; R382-L411 VanDerWaalsContact CA-O 3.26Å; R382-L411 WeakPolarHBondContact CA-O 3.26Å; F383-L411 HydrophobicContact CD1-CD1 3.99Å; F383-L411 HydrophobicContact CD1-CG 4.42Å; F383-L411 HydrophobicContact CD2-CG 4.44Å; F383-L411 HydrophobicContact CE1-CD1 3.55Å; F383-L411 HydrophobicContact CE1-CD2 4.13Å; F383-L411 HydrophobicContact CE1-CG 4.03Å; F383-L411 HydrophobicContact CE2-CD1 4.48Å; F383-L411 HydrophobicContact CE2-CD2 3.77Å; F383-L411 HydrophobicContact CE2-CG 4.05Å; F383-L411 HydrophobicContact CZ-CD1 3.85Å; F383-L411 HydrophobicContact CZ-CD2 3.52Å; F383-L411 HydrophobicContact CZ-CG 3.86Å; F383-L411 PolarHBondContact N-O 2.93Å; F383-L411 PolarHBondContact O-N 3.49Å; M409-L411 HydrophobicContact CE-CD2 4.03Å; L411-E413 HydrophobicContact CD1-CB 4.13Å
412N98.7Very high96.4Very high16 Ų1639.7 Ų39.79%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-124.2103.3170.8176.838.1000108.9T62 Q63 Y65 A380 R382T62-N412 WeakPolarHBondContact CA-O 3.27Å; Q63-N412 HydrophobicContact CB-CB 4.4Å; Q63-N412 PolarHBondContact N-O 3.41Å; Q63-N412 PolarHBondContact O-N 3.11Å; Q63-N412 PolarHBondContact OE1-ND2 3.4Å; Y65-N412 HydrophobicContact CE2-CB 4.2Å; A380-N412 WeakPolarHBondContact CB-OD1 3.47Å; R382-N412 HydrophobicContact CG-CB 4.19Å; R382-N412 WeakPolarHBondContact CG-OD1 3.47Å; R382-N412 PolarHBondContact NE-OD1 2.96Å
413E98.3Very high96.1Very high18 Ų1837.7 Ų37.78%0.08420%0.201CC..EExtended strand (participates in β ladder)trans-90.6109.1172.2-179.4176.6-149.800107.9V60 Y61 R95 K115 K381 L411V60-E413 HydrophobicContact CG1-CG 4.02Å; Y61-E413 CarbonylContact O-C 3.57Å; Y61-E413 WeakPolarHBondContact O-CA 3.45Å; R95-E413 IonicContact CZ-OE1 3.57Å; R95-E413 IonicContact NH2-OE1 3.72Å; R95-E413 PolarHBondContact NH2-OE1 2.9Å; K115-E413 IonicContact NZ-OE1 2.74Å; K115-E413 PolarHBondContact NZ-OE1 3.48Å; K381-E413 HydrophobicContact CB-CB 4.25Å; K381-E413 VanDerWaalsContact CD-OE2 3.3Å; K381-E413 WeakPolarHBondContact CD-OE2 3.47Å; K381-E413 WeakPolarHBondContact CE-OE2 3.42Å; K381-E413 PolarHBondContact N-O 3.27Å; K381-E413 IonicContact NZ-OE2 3.72Å; K381-E413 PolarHBondContact NZ-OE2 3.42Å; K381-E413 PolarHBondContact O-N 3.34Å; L411-E413 HydrophobicContact CD1-CB 4.13Å
414S98.1Very high95.6Very high29 Ų2940.1 Ų40.120%0.20320%0.2CC..EExtended strand (participates in β ladder)trans-129.7146.8-16765.70000113.1V60 Y61 A379V60-S414 WeakPolarHBondContact CG1-O 3.14Å; Y61-S414 PolarHBondContact N-O 2.9Å; Y61-S414 PolarHBondContact O-N 3.3Å; A379-S414 VanDerWaalsContact O-CA 3.25Å; A379-S414 WeakPolarHBondContact O-CA 3.37Å
415V97.4Very high95.1Very high23 Ų2340.4 Ų40.414%0.13920%0.202CC..EExtended strand (participates in β ladder)trans-138.4144.5177.164.50000109.3L58 V60 I376 K378 A379L58-V415 HydrophobicContact CB-CG2 3.8Å; L58-V415 HydrophobicContact CD1-CG2 4.18Å; V60-V415 HydrophobicContact CG2-CB 4.2Å; V60-V415 HydrophobicContact CG2-CG2 4.15Å; I376-V415 HydrophobicContact CG2-CG1 3.97Å; K378-V415 CarbonylContact C-O 3.59Å; K378-V415 VanDerWaalsContact CA-O 3.26Å; K378-V415 WeakPolarHBondContact CA-O 3.43Å; A379-V415 HydrophobicContact CB-CG1 3.83Å; A379-V415 PolarHBondContact N-O 3.08Å; A379-V415 PolarHBondContact O-N 2.87Å; A379-V415 VanDerWaalsContact O-N 3.1Å
416L97.1Very high94.7Very high89 Ų8944 Ų4447%0.46622%0.217SC..EExtended strand (participates in β ladder)trans-139.9129.2170.9177.964.5000108.8V287 K378 D418V287-L416 HydrophobicContact CG1-CD1 3.85Å; K378-L416 HydrophobicContact CB-CD1 3.99Å; K378-L416 HydrophobicContact CD-CD1 4.02Å; K378-L416 HydrophobicContact CG-CD1 3.95Å; L416-D418 PolarHBondContact O-N 3.39Å
417I95.1Very high94.2Very high2 Ų247.6 Ų47.61%0.0124%0.242CC..  trans-61.3129.4175.5-168.1169.5000110.9L58 V287 Q288 L290 L377 T421 A422 L425L58-I417 HydrophobicContact CD1-CB 4.21Å; L58-I417 HydrophobicContact CD1-CG1 4.3Å; L58-I417 HydrophobicContact CD2-CB 4.45Å; L58-I417 HydrophobicContact CD2-CG1 4.02Å; V287-I417 HydrophobicContact CG1-CG2 3.82Å; Q288-I417 HydrophobicContact CG-CG2 3.93Å; L290-I417 HydrophobicContact CD1-CD1 4.27Å; L377-I417 HydrophobicContact CB-CG2 4.22Å; L377-I417 HydrophobicContact CD2-CD1 3.77Å; L377-I417 WeakPolarHBondContact O-CB 3.48Å; L377-I417 WeakPolarHBondContact O-CG2 3.46Å; L377-I417 PolarHBondContact O-N 2.92Å; I417-T421 HydrophobicContact CD1-CG2 4.14Å; I417-T421 HydrophobicContact CG1-CG2 4.19Å; I417-A422 HydrophobicContact CD1-CB 3.99Å; I417-A422 HydrophobicContact CG1-CB 4.04Å; I417-A422 HydrophobicContact CG2-CB 4.25Å; I417-L425 HydrophobicContact CD1-CD2 4.34Å
418D92.1Very high93.6Very high55 Ų5550.5 Ų50.529%0.29426%0.259SS..  trans-73.3163.2175.373.7-91000111.3L416 E420 T421 A422L416-D418 PolarHBondContact O-N 3.39Å; D418-E420 VanDerWaalsContact C-N 3.33Å; D418-E420 PolarHBondContact O-N 3.25Å; D418-E420 WeakPolarHBondContact OD2-CA 3.37Å; D418-E420 VanDerWaalsContact OD2-CB 3.28Å; D418-E420 WeakPolarHBondContact OD2-CB 3.43Å; D418-E420 PolarHBondContact OD2-N 2.9Å; D418-T421 VanDerWaalsContact OD1-CB 3.23Å; D418-T421 WeakPolarHBondContact OD1-CB 3.35Å; D418-T421 PolarHBondContact OD1-OG1 3.41Å; D418-T421 PolarHBondContact OD2-N 3.06Å; D418-T421 PolarHBondContact OD2-OG1 3.43Å; D418-A422 WeakPolarHBondContact O-CB 3.37Å; D418-A422 PolarHBondContact O-N 3.42Å
419K91.2Very high93Very high163 Ų16351 Ų5171%0.70926%0.262SS*.Hα-helixtrans-65.7-33.2-175.3-69.7-179.4179.2175.40113.3S423K419-S423 VanDerWaalsContact O-CB 3.31Å; K419-S423 WeakPolarHBondContact O-CB 3.44Å; K419-S423 PolarHBondContact O-N 3.3Å
420E89.6Confident92.4Very high157 Ų15754.5 Ų54.573%0.73428%0.28SS*.Hα-helixtrans-70.4-53.8-179-175.8179.117000109.9D418 A422 S423 R424D418-E420 VanDerWaalsContact C-N 3.33Å; D418-E420 PolarHBondContact O-N 3.25Å; D418-E420 WeakPolarHBondContact OD2-CA 3.37Å; D418-E420 VanDerWaalsContact OD2-CB 3.28Å; D418-E420 WeakPolarHBondContact OD2-CB 3.43Å; D418-E420 PolarHBondContact OD2-N 2.9Å; E420-A422 VanDerWaalsContact C-N 3.3Å; E420-A422 PolarHBondContact O-N 3.13Å; E420-S423 WeakPolarHBondContact O-CB 3.21Å; E420-S423 PolarHBondContact O-N 2.67Å; E420-S423 VanDerWaalsContact O-N 3.08Å; E420-S423 PolarHBondContact O-OG 3.02Å; E420-R424 PolarHBondContact O-N 2.95Å
421T88.5Confident91.9Very high38 Ų3857.4 Ų57.423%0.23330%0.3CS..Hα-helixtrans-59.9-42176.5-53.50000111L58 I417 D418 S423 R424 L425L58-T421 HydrophobicContact CD2-CG2 4.07Å; I417-T421 HydrophobicContact CD1-CG2 4.14Å; I417-T421 HydrophobicContact CG1-CG2 4.19Å; D418-T421 VanDerWaalsContact OD1-CB 3.23Å; D418-T421 WeakPolarHBondContact OD1-CB 3.35Å; D418-T421 PolarHBondContact OD1-OG1 3.41Å; D418-T421 PolarHBondContact OD2-N 3.06Å; D418-T421 PolarHBondContact OD2-OG1 3.43Å; T421-S423 VanDerWaalsContact C-N 3.34Å; T421-S423 PolarHBondContact O-N 3.34Å; T421-R424 PolarHBondContact O-N 3.5Å; T421-L425 PolarHBondContact O-N 2.98Å
422A92.8Very high91.3Very high4 Ų458.2 Ų58.23%0.03331%0.305CS..Hα-helixtrans-61.1-40.717500000112.3Q288 L290 I417 D418 E420 R424 L425 K426Q288-A422 HydrophobicContact CB-CB 3.68Å; Q288-A422 HydrophobicContact CG-CB 4.09Å; L290-A422 HydrophobicContact CD1-CB 4.17Å; I417-A422 HydrophobicContact CD1-CB 3.99Å; I417-A422 HydrophobicContact CG1-CB 4.04Å; I417-A422 HydrophobicContact CG2-CB 4.25Å; D418-A422 WeakPolarHBondContact O-CB 3.37Å; D418-A422 PolarHBondContact O-N 3.42Å; E420-A422 VanDerWaalsContact C-N 3.3Å; E420-A422 PolarHBondContact O-N 3.13Å; A422-R424 VanDerWaalsContact C-N 3.35Å; A422-R424 PolarHBondContact O-N 3.28Å; A422-L425 PolarHBondContact O-N 3.41Å; A422-K426 VanDerWaalsContact O-CB 3.22Å; A422-K426 WeakPolarHBondContact O-CB 3.33Å; A422-K426 PolarHBondContact O-N 3.45Å
423S91Very high90.7Very high71 Ų7161.6 Ų61.650%0.49732%0.322SS..Hα-helixtrans-65.5-37.9178.477.60000112.4K419 E420 T421 K426 S427K419-S423 VanDerWaalsContact O-CB 3.31Å; K419-S423 WeakPolarHBondContact O-CB 3.44Å; K419-S423 PolarHBondContact O-N 3.3Å; E420-S423 WeakPolarHBondContact O-CB 3.21Å; E420-S423 PolarHBondContact O-N 2.67Å; E420-S423 VanDerWaalsContact O-N 3.08Å; E420-S423 PolarHBondContact O-OG 3.02Å; T421-S423 VanDerWaalsContact C-N 3.34Å; T421-S423 PolarHBondContact O-N 3.34Å; S423-K426 PolarHBondContact O-N 3.39Å; S423-S427 PolarHBondContact O-N 2.91Å
424R87.3Confident90.2Very high140 Ų14066 Ų6653%0.52835%0.345SS..Hα-helixtrans-64.3-48.2176.3-155.2177.394.2-162.96110.6E48 E420 T421 A422 K426 S427 V428E48-R424 IonicContact OE2-CZ 2.8Å; E48-R424 IonicContact OE2-NE 3.33Å; E48-R424 IonicContact OE2-NH2 3.15Å; E48-R424 PolarHBondContact OE2-NH2 3.42Å; E420-R424 PolarHBondContact O-N 2.95Å; T421-R424 PolarHBondContact O-N 3.5Å; A422-R424 VanDerWaalsContact C-N 3.35Å; A422-R424 PolarHBondContact O-N 3.28Å; R424-K426 VanDerWaalsContact C-N 3.32Å; R424-K426 PolarHBondContact O-N 2.96Å; R424-S427 WeakPolarHBondContact O-CB 3.44Å; R424-S427 PolarHBondContact O-N 3.2Å; R424-V428 PolarHBondContact O-N 2.92Å
425L88.5Confident89.7Confident21 Ų2167.4 Ų67.411%0.1135%0.35CS..Hα-helixtrans-63.3-38.4176.1-177.253.9000111.9L290 T373 I375 L377 I417 T421 A422 S427 V428 I429L290-L425 HydrophobicContact CD1-CB 4.31Å; L290-L425 HydrophobicContact CD1-CD2 3.85Å; L290-L425 HydrophobicContact CD1-CG 4.14Å; L290-L425 HydrophobicContact CD2-CG 4.47Å; T373-L425 HydrophobicContact CG2-CD1 3.95Å; I375-L425 HydrophobicContact CD1-CD1 4.5Å; L377-L425 HydrophobicContact CD2-CD2 3.72Å; I417-L425 HydrophobicContact CD1-CD2 4.34Å; T421-L425 PolarHBondContact O-N 2.98Å; A422-L425 PolarHBondContact O-N 3.41Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 2.92Å; L425-V428 PolarHBondContact O-N 3.35Å; L425-I429 HydrophobicContact CD1-CD1 3.98Å; L425-I429 HydrophobicContact CD1-CG1 4.38Å; L425-I429 HydrophobicContact CG-CD1 3.81Å; L425-I429 WeakPolarHBondContact O-CG1 3.24Å; L425-I429 PolarHBondContact O-N 3.45Å
426K91.1Very high89.3Confident82 Ų8268.1 Ų68.136%0.35735%0.354SS..Hα-helixtrans-62.7-38.1176-168.4172-172.7171.80112.3L290 A422 S423 R424 I429 N430L290-K426 HydrophobicContact CD2-CB 3.72Å; L290-K426 HydrophobicContact CD2-CG 4.12Å; A422-K426 VanDerWaalsContact O-CB 3.22Å; A422-K426 WeakPolarHBondContact O-CB 3.33Å; A422-K426 PolarHBondContact O-N 3.45Å; S423-K426 PolarHBondContact O-N 3.39Å; R424-K426 VanDerWaalsContact C-N 3.32Å; R424-K426 PolarHBondContact O-N 2.96Å; K426-I429 PolarHBondContact O-N 3.31Å; K426-N430 VanDerWaalsContact O-CB 3.26Å; K426-N430 WeakPolarHBondContact O-CB 3.41Å; K426-N430 PolarHBondContact O-N 3.29Å; K426-N430 PolarHBondContact O-ND2 3.37Å
427S88.1Confident88.9Confident74 Ų7467.1 Ų67.152%0.51735%0.35SS..Hα-helixtrans-61.3-44175-172.50000111.8S423 R424 L425 T431S423-S427 PolarHBondContact O-N 2.91Å; R424-S427 WeakPolarHBondContact O-CB 3.44Å; R424-S427 PolarHBondContact O-N 3.2Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 2.92Å; S427-T431 WeakPolarHBondContact O-CB 3.42Å; S427-T431 PolarHBondContact O-N 3.45Å; S427-T431 PolarHBondContact O-OG1 3.44Å
428V85.2Confident88.7Confident62 Ų6269.6 Ų69.638%0.37636%0.362SS..Hα-helixtrans-61.9-48.7175.8177.60000110.7R424 L425 T431 T432R424-V428 PolarHBondContact O-N 2.92Å; L425-V428 PolarHBondContact O-N 3.35Å; V428-T431 PolarHBondContact O-N 2.93Å; V428-T432 PolarHBondContact O-N 2.96Å; V428-T432 PolarHBondContact O-OG1 3.17Å
429I85.9Confident88.7Confident10 Ų1067.1 Ų67.15%0.05135%0.349CS..Hα-helixtrans-65.4-42.1-179.2-70.7162.1000111.8L290 L372 L425 K426 T431 T432 L433L290-I429 HydrophobicContact CD2-CD1 3.69Å; L372-I429 HydrophobicContact CD2-CG1 4.11Å; L425-I429 HydrophobicContact CD1-CD1 3.98Å; L425-I429 HydrophobicContact CD1-CG1 4.38Å; L425-I429 HydrophobicContact CG-CD1 3.81Å; L425-I429 WeakPolarHBondContact O-CG1 3.24Å; L425-I429 PolarHBondContact O-N 3.45Å; K426-I429 PolarHBondContact O-N 3.31Å; I429-T431 VanDerWaalsContact C-N 3.35Å; I429-T431 PolarHBondContact O-N 2.93Å; I429-T432 WeakPolarHBondContact O-CB 3.43Å; I429-T432 PolarHBondContact O-N 2.91Å; I429-L433 HydrophobicContact CG2-CD1 3.94Å; I429-L433 HydrophobicContact CG2-CG 4.34Å; I429-L433 WeakPolarHBondContact O-CB 3.42Å; I429-L433 WeakPolarHBondContact O-CG 3.45Å; I429-L433 PolarHBondContact O-N 2.88Å
430N87.4Confident88.8Confident74 Ų7465.6 Ų65.640%0.39634%0.34SS..Hα-helixtrans-63.1-42.7177.4-76.2-12.5000111.6K426 T432 L433 I434K426-N430 VanDerWaalsContact O-CB 3.26Å; K426-N430 WeakPolarHBondContact O-CB 3.41Å; K426-N430 PolarHBondContact O-N 3.29Å; K426-N430 PolarHBondContact O-ND2 3.37Å; N430-T432 VanDerWaalsContact C-N 3.3Å; N430-T432 PolarHBondContact O-N 2.94Å; N430-L433 PolarHBondContact O-N 3.09Å; N430-I434 VanDerWaalsContact O-CG1 3.28Å; N430-I434 WeakPolarHBondContact O-CG1 3.43Å; N430-I434 PolarHBondContact O-N 2.69Å
431T87.6Confident88.9Confident74 Ų7462.6 Ų62.645%0.45433%0.328SS..Hα-helixtrans-59.5-45.5175.5-57.30000110.3S427 V428 I429 I434 I435S427-T431 WeakPolarHBondContact O-CB 3.42Å; S427-T431 PolarHBondContact O-N 3.45Å; S427-T431 PolarHBondContact O-OG1 3.44Å; V428-T431 PolarHBondContact O-N 2.93Å; I429-T431 VanDerWaalsContact C-N 3.35Å; I429-T431 PolarHBondContact O-N 2.93Å; T431-I434 PolarHBondContact O-N 2.94Å; T431-I435 HydrophobicContact CG2-CD1 3.99Å; T431-I435 VanDerWaalsContact O-CG1 3.28Å; T431-I435 WeakPolarHBondContact O-CG1 3.33Å; T431-I435 PolarHBondContact O-N 2.88Å
432T86.2Confident89.1Confident20 Ų2062.4 Ų62.412%0.12333%0.325CS..Hα-helixtrans-58.4-48.4174.2-70.90000112.4V33 L372 V428 I429 N430 I434 I435 T436V33-T432 HydrophobicContact CB-CG2 4.26Å; V33-T432 HydrophobicContact CG1-CG2 3.24Å; V33-T432 HydrophobicContact CG2-CG2 4.01Å; L372-T432 HydrophobicContact CD2-CG2 3.9Å; V428-T432 PolarHBondContact O-N 2.96Å; V428-T432 PolarHBondContact O-OG1 3.17Å; I429-T432 WeakPolarHBondContact O-CB 3.43Å; I429-T432 PolarHBondContact O-N 2.91Å; N430-T432 VanDerWaalsContact C-N 3.3Å; N430-T432 PolarHBondContact O-N 2.94Å; T432-I434 VanDerWaalsContact C-N 3.31Å; T432-I434 PolarHBondContact O-N 3.36Å; T432-I435 PolarHBondContact O-N 3.34Å; T432-T436 HydrophobicContact CG2-CG2 4.43Å; T432-T436 WeakPolarHBondContact O-CG2 3.36Å; T432-T436 PolarHBondContact O-N 3.43Å; T432-T436 PolarHBondContact O-OG1 3.38Å
433L85.6Confident89.1Confident87 Ų8765 Ų6546%0.45534%0.337SS..Hα-helixtrans-62.6-36.2178.9-76.2170.1000112.6I429 N430 T436 N437I429-L433 HydrophobicContact CG2-CD1 3.94Å; I429-L433 HydrophobicContact CG2-CG 4.34Å; I429-L433 WeakPolarHBondContact O-CB 3.42Å; I429-L433 WeakPolarHBondContact O-CG 3.45Å; I429-L433 PolarHBondContact O-N 2.88Å; N430-L433 PolarHBondContact O-N 3.09Å; L433-T436 PolarHBondContact O-OG1 3.01Å; L433-N437 VanDerWaalsContact O-CB 3.3Å; L433-N437 WeakPolarHBondContact O-CB 3.49Å; L433-N437 PolarHBondContact O-N 3.18Å; L433-N437 PolarHBondContact O-ND2 2.91Å
434I87.6Confident89.3Confident110 Ų11064.5 Ų64.556%0.56434%0.338SS*.Hα-helixtrans-64.8-48174.5-69.3164.8000109.5N430 T431 T432 T436 N437 I438N430-I434 VanDerWaalsContact O-CG1 3.28Å; N430-I434 WeakPolarHBondContact O-CG1 3.43Å; N430-I434 PolarHBondContact O-N 2.69Å; T431-I434 PolarHBondContact O-N 2.94Å; T432-I434 VanDerWaalsContact C-N 3.31Å; T432-I434 PolarHBondContact O-N 3.36Å; I434-T436 PolarHBondContact O-N 3.5Å; I434-N437 PolarHBondContact O-N 3Å; I434-I438 WeakPolarHBondContact O-CG1 3.32Å; I434-I438 PolarHBondContact O-N 2.91Å
435I88.9Confident89.6Confident60 Ų6061.8 Ų61.831%0.30833%0.333SS..Hα-helixtrans-61-47-178.8-68.5167.6000111.2F29 V33 T431 T432 N437 I438F29-I435 HydrophobicContact CB-CG2 4.35Å; F29-I435 WeakPolarHBondContact CB-O 3.36Å; F29-I435 HydrophobicContact CD1-CG2 3.8Å; V33-I435 HydrophobicContact CG2-CB 4.28Å; V33-I435 HydrophobicContact CG2-CG2 3.87Å; T431-I435 HydrophobicContact CG2-CD1 3.99Å; T431-I435 VanDerWaalsContact O-CG1 3.28Å; T431-I435 WeakPolarHBondContact O-CG1 3.33Å; T431-I435 PolarHBondContact O-N 2.88Å; T432-I435 PolarHBondContact O-N 3.34Å; I435-N437 PolarHBondContact O-N 2.97Å; I435-I438 WeakPolarHBondContact O-CB 3.42Å; I435-I438 WeakPolarHBondContact O-CG1 3.5Å; I435-I438 PolarHBondContact O-N 3.43Å
436T87.8Confident89.9Confident37 Ų3760.8 Ų60.823%0.22733%0.328CS..Hα-helixtrans-66.6-26.2179.755.90000112.7V33 T432 L433 I434 P439V33-T436 HydrophobicContact CB-CG2 4.17Å; V33-T436 HydrophobicContact CG1-CG2 4.4Å; V33-T436 HydrophobicContact CG2-CG2 3.81Å; T432-T436 HydrophobicContact CG2-CG2 4.43Å; T432-T436 WeakPolarHBondContact O-CG2 3.36Å; T432-T436 PolarHBondContact O-N 3.43Å; T432-T436 PolarHBondContact O-OG1 3.38Å; L433-T436 PolarHBondContact O-OG1 3.01Å; I434-T436 PolarHBondContact O-N 3.5Å; T436-P439 WeakPolarHBondContact O-CD 3.26Å
437N89.8Confident90Very high69 Ų6960.4 Ų60.437%0.36933%0.332SS..Hα-helixtrans-90.1-1.8178.8-72.9-47.1000115L433 I434 I435 P439 Y440 I441L433-N437 VanDerWaalsContact O-CB 3.3Å; L433-N437 WeakPolarHBondContact O-CB 3.49Å; L433-N437 PolarHBondContact O-N 3.18Å; L433-N437 PolarHBondContact O-ND2 2.91Å; I434-N437 PolarHBondContact O-N 3Å; I435-N437 PolarHBondContact O-N 2.97Å; N437-P439 VanDerWaalsContact C-CD 3.44Å; N437-P439 VanDerWaalsContact C-N 3.32Å; N437-Y440 HydrophobicContact CB-CD2 4.37Å; N437-Y440 PolarHBondContact O-N 3.39Å; N437-Y440 WeakPolarHBondContact OD1-CD2 3.36Å; N437-I441 PolarHBondContact O-N 3.23Å
438I91.6Very high90.3Very high53 Ų5362.6 Ų62.627%0.27233%0.333SS..Hα-helixtrans-49.3-44.8175.5-71.4171.9000112.7F29 I434 I435 Y440 I441 I442F29-I438 HydrophobicContact CD1-CD1 4.19Å; F29-I438 HydrophobicContact CD2-CB 4.46Å; F29-I438 HydrophobicContact CE1-CB 4.34Å; F29-I438 HydrophobicContact CE1-CD1 3.77Å; F29-I438 HydrophobicContact CE1-CG2 4.27Å; F29-I438 HydrophobicContact CE2-CB 4.18Å; F29-I438 HydrophobicContact CE2-CG2 3.85Å; F29-I438 HydrophobicContact CZ-CB 4.11Å; F29-I438 HydrophobicContact CZ-CD1 4.23Å; F29-I438 HydrophobicContact CZ-CG2 3.66Å; I434-I438 WeakPolarHBondContact O-CG1 3.32Å; I434-I438 PolarHBondContact O-N 2.91Å; I435-I438 WeakPolarHBondContact O-CB 3.42Å; I435-I438 WeakPolarHBondContact O-CG1 3.5Å; I435-I438 PolarHBondContact O-N 3.43Å; I438-Y440 VanDerWaalsContact C-N 3.3Å; I438-Y440 PolarHBondContact O-N 3.49Å; I438-I441 WeakPolarHBondContact O-CB 3.1Å; I438-I441 PolarHBondContact O-N 3.34Å; I438-I441 VanDerWaalsContact O-N 3.13Å; I438-I442 HydrophobicContact CG2-CD1 3.73Å; I438-I442 HydrophobicContact CG2-CG1 4.24Å; I438-I442 WeakPolarHBondContact O-CG1 3.26Å; I438-I442 PolarHBondContact O-N 2.9Å
439P91.8Very high90.6Very high4 Ų462.8 Ų62.83%0.02633%0.329CS..Hα-helixtrans-60.7-35.3179.1-25.536.3000113.9S20 L23 L24 F29 T436 N437 I442 M443S20-P439 PolarHBondContact OG-O 3.06Å; L23-P439 HydrophobicContact CB-CB 4.26Å; L23-P439 HydrophobicContact CB-CG 4.13Å; L24-P439 HydrophobicContact CD1-CB 4.45Å; L24-P439 HydrophobicContact CD2-CB 3.68Å; L24-P439 HydrophobicContact CD2-CG 4.29Å; L24-P439 HydrophobicContact CG-CB 3.64Å; F29-P439 HydrophobicContact CD2-CG 3.51Å; F29-P439 HydrophobicContact CE2-CG 3.97Å; T436-P439 WeakPolarHBondContact O-CD 3.26Å; N437-P439 VanDerWaalsContact C-CD 3.44Å; N437-P439 VanDerWaalsContact C-N 3.32Å; P439-I442 PolarHBondContact O-N 3.26Å; P439-M443 PolarHBondContact O-N 3.25Å
440Y92Very high90.9Very high131 Ų13163.2 Ų63.251%0.51434%0.335SS..Hα-helixtrans-70.5-35.9176.1-62.1-70.8000111.8L24 N437 I438 M443 A444L24-Y440 HydrophobicContact CD1-CD1 4.35Å; L24-Y440 HydrophobicContact CD1-CE1 4.07Å; L24-Y440 HydrophobicContact CD2-CD1 4.42Å; L24-Y440 HydrophobicContact CD2-CD2 4.45Å; L24-Y440 HydrophobicContact CD2-CE1 3.9Å; L24-Y440 HydrophobicContact CD2-CE2 3.93Å; N437-Y440 HydrophobicContact CB-CD2 4.37Å; N437-Y440 PolarHBondContact O-N 3.39Å; N437-Y440 WeakPolarHBondContact OD1-CD2 3.36Å; I438-Y440 VanDerWaalsContact C-N 3.3Å; I438-Y440 PolarHBondContact O-N 3.49Å; Y440-M443 WeakPolarHBondContact O-CB 3.27Å; Y440-M443 PolarHBondContact O-N 3.11Å; Y440-A444 PolarHBondContact O-N 3.09Å
441I91.7Very high91Very high93 Ų9364.9 Ų64.948%0.47734%0.343SS..Hα-helixtrans-63.3-44.8173.3-60.1171.1000110.1N437 I438 M443 A444 L445N437-I441 PolarHBondContact O-N 3.23Å; I438-I441 WeakPolarHBondContact O-CB 3.1Å; I438-I441 PolarHBondContact O-N 3.34Å; I438-I441 VanDerWaalsContact O-N 3.13Å; I441-M443 VanDerWaalsContact C-N 3.29Å; I441-M443 PolarHBondContact O-N 3.37Å; I441-A444 PolarHBondContact O-N 3.16Å; I441-L445 HydrophobicContact CG2-CD1 4.38Å; I441-L445 WeakPolarHBondContact O-CG 3.21Å; I441-L445 PolarHBondContact O-N 3.37Å
442I93.4Very high91.1Very high35 Ų3563.6 Ų63.618%0.17934%0.335CS..Hα-helixtrans-60.8-40.8174.6-64.2169.9000110.5L16 L23 I438 P439 L445 G446L16-I442 HydrophobicContact CB-CG2 4.25Å; L16-I442 HydrophobicContact CD2-CG2 4.05Å; L23-I442 HydrophobicContact CD1-CD1 4.02Å; I438-I442 HydrophobicContact CG2-CD1 3.73Å; I438-I442 HydrophobicContact CG2-CG1 4.24Å; I438-I442 WeakPolarHBondContact O-CG1 3.26Å; I438-I442 PolarHBondContact O-N 2.9Å; P439-I442 PolarHBondContact O-N 3.26Å; I442-L445 PolarHBondContact O-N 3.13Å; I442-G446 PolarHBondContact O-N 3.07Å
443M93.9Very high91.2Very high57 Ų5765.6 Ų65.628%0.28134%0.342SS..Hα-helixtrans-60.5-48.9176.1-165.4178.9-71.900111.6L17 S20 L24 P439 Y440 I441 L445 G446 V447L17-M443 HydrophobicContact CD2-CG 4.16Å; S20-M443 WeakPolarHBondContact OG-CB 3.47Å; S20-M443 WeakPolarHBondContact OG-CE 3.5Å; L24-M443 HydrophobicContact CD1-CE 3.3Å; P439-M443 PolarHBondContact O-N 3.25Å; Y440-M443 WeakPolarHBondContact O-CB 3.27Å; Y440-M443 PolarHBondContact O-N 3.11Å; I441-M443 VanDerWaalsContact C-N 3.29Å; I441-M443 PolarHBondContact O-N 3.37Å; M443-L445 VanDerWaalsContact C-N 3.31Å; M443-L445 PolarHBondContact O-N 2.96Å; M443-G446 WeakPolarHBondContact O-CA 3.42Å; M443-G446 PolarHBondContact O-N 3.44Å; M443-G446 VanDerWaalsContact O-N 3.08Å; M443-V447 WeakPolarHBondContact O-CG2 3.49Å; M443-V447 PolarHBondContact O-N 3.03Å
444A93.9Very high91.2Very high61 Ų6164.8 Ų64.850%0.50434%0.341SS..Hα-helixtrans-60.2-41-179.900000111.7Y440 I441 V447 F448Y440-A444 PolarHBondContact O-N 3.09Å; I441-A444 PolarHBondContact O-N 3.16Å; A444-V447 PolarHBondContact O-N 3.38Å; A444-F448 WeakPolarHBondContact O-CB 3.44Å; A444-F448 PolarHBondContact O-N 3.36Å
445L94.2Very high91.1Very high83 Ų8366.8 Ų66.844%0.43534%0.342SS..Hα-helixtrans-64-42.4173-69.1168.4000111.7L16 I441 I442 M443 V447 F448 F449L16-L445 HydrophobicContact CD1-CB 4.31Å; I441-L445 HydrophobicContact CG2-CD1 4.38Å; I441-L445 WeakPolarHBondContact O-CG 3.21Å; I441-L445 PolarHBondContact O-N 3.37Å; I442-L445 PolarHBondContact O-N 3.13Å; M443-L445 VanDerWaalsContact C-N 3.31Å; M443-L445 PolarHBondContact O-N 2.96Å; L445-V447 PolarHBondContact O-N 3.2Å; L445-F448 PolarHBondContact O-N 3.11Å; L445-F449 WeakPolarHBondContact O-CD2 3.5Å; L445-F449 PolarHBondContact O-N 3.48Å
446G93.8Very high90.9Very high0 Ų066.8 Ų66.80%034%0.342CS..Hα-helixtrans-58.8-45.417500000112.5S13 I442 M443 G450S13-G446 WeakPolarHBondContact CB-O 3.42Å; S13-G446 PolarHBondContact OG-O 2.91Å; I442-G446 PolarHBondContact O-N 3.07Å; M443-G446 WeakPolarHBondContact O-CA 3.42Å; M443-G446 PolarHBondContact O-N 3.44Å; M443-G446 VanDerWaalsContact O-N 3.08Å; G446-G450 PolarHBondContact O-N 3.33Å
447V93.9Very high90.6Very high74 Ų7466.4 Ų66.445%0.44834%0.343SS..Hα-helixtrans-63.5-44.8175.1174.10000110.8L17 M443 A444 L445 F449 G450 L451L17-V447 HydrophobicContact CD2-CG2 4.03Å; M443-V447 WeakPolarHBondContact O-CG2 3.49Å; M443-V447 PolarHBondContact O-N 3.03Å; A444-V447 PolarHBondContact O-N 3.38Å; L445-V447 PolarHBondContact O-N 3.2Å; V447-F449 PolarHBondContact O-N 3.43Å; V447-G450 CarbonylContact O-C 3.58Å; V447-G450 WeakPolarHBondContact O-CA 3.33Å; V447-G450 PolarHBondContact O-N 3.32Å; V447-G450 VanDerWaalsContact O-N 3.09Å; V447-L451 HydrophobicContact CG1-CD1 4.31Å; V447-L451 HydrophobicContact CG1-CG 4.45Å; V447-L451 WeakPolarHBondContact O-CG 3.26Å; V447-L451 PolarHBondContact O-N 3.43Å
448F94.1Very high90.1Very high121 Ų12167.2 Ų67.253%0.53135%0.353SS..Hα-helixtrans-58.7-48.9178.3176.2-100.5000112.2A444 L445 G450 L451 V452A444-F448 WeakPolarHBondContact O-CB 3.44Å; A444-F448 PolarHBondContact O-N 3.36Å; L445-F448 PolarHBondContact O-N 3.11Å; F448-G450 PolarHBondContact O-N 3.24Å; F448-L451 PolarHBondContact O-N 3.25Å; F448-V452 HydrophobicContact CD1-CG2 4.42Å; F448-V452 HydrophobicContact CE1-CG2 4.02Å; F448-V452 HydrophobicContact CE2-CG2 4.4Å; F448-V452 HydrophobicContact CZ-CG2 4Å; F448-V452 WeakPolarHBondContact O-CG2 3.38Å; F448-V452 PolarHBondContact O-N 3.46Å
449F92.3Very high89.3Confident66 Ų6671.2 Ų71.229%0.28937%0.368SS..Hα-helixtrans-63.3-32.2175.1-76.2-64.6000112.4L12 L16 L445 V447 V452 F453L12-F449 HydrophobicContact CD2-CD1 4.37Å; L12-F449 HydrophobicContact CD2-CD2 4.14Å; L12-F449 HydrophobicContact CD2-CE1 4.24Å; L12-F449 HydrophobicContact CD2-CE2 4Å; L12-F449 HydrophobicContact CD2-CG 4.33Å; L12-F449 HydrophobicContact CD2-CZ 4.06Å; L12-F449 HydrophobicContact CG-CD2 4.49Å; L16-F449 HydrophobicContact CD1-CD2 3.8Å; L16-F449 HydrophobicContact CD1-CE2 4.18Å; L445-F449 WeakPolarHBondContact O-CD2 3.5Å; L445-F449 PolarHBondContact O-N 3.48Å; V447-F449 PolarHBondContact O-N 3.43Å; F449-V452 PolarHBondContact O-N 3.1Å; F449-F453 WeakPolarHBondContact O-CB 3.47Å; F449-F453 PolarHBondContact O-N 3.48Å
450G90.7Very high87.9Confident18 Ų1872.9 Ų72.919%0.18639%0.386CS..Hα-helixtrans-63.8-43.2172.900000112.4S13 G446 V447 F448 F453 T454S13-G450 VanDerWaalsContact OG-CA 3.26Å; S13-G450 WeakPolarHBondContact OG-CA 3.5Å; S13-G450 PolarHBondContact OG-N 3.38Å; G446-G450 PolarHBondContact O-N 3.33Å; V447-G450 CarbonylContact O-C 3.58Å; V447-G450 WeakPolarHBondContact O-CA 3.33Å; V447-G450 PolarHBondContact O-N 3.32Å; V447-G450 VanDerWaalsContact O-N 3.09Å; F448-G450 PolarHBondContact O-N 3.24Å; G450-F453 WeakPolarHBondContact O-CB 3.35Å; G450-F453 PolarHBondContact O-N 3.42Å; G450-T454 WeakPolarHBondContact O-CG2 3.24Å; G450-T454 PolarHBondContact O-N 3.29Å; G450-T454 PolarHBondContact O-OG1 3.03Å
451L90.8Very high86.1Confident109 Ų10972.8 Ų72.857%0.57139%0.39SS*.Hα-helixtrans-66.5-38.8175.2-68.6175.2000112.4V447 F448 F453 T454 W455V447-L451 HydrophobicContact CG1-CD1 4.31Å; V447-L451 HydrophobicContact CG1-CG 4.45Å; V447-L451 WeakPolarHBondContact O-CG 3.26Å; V447-L451 PolarHBondContact O-N 3.43Å; F448-L451 PolarHBondContact O-N 3.25Å; L451-F453 VanDerWaalsContact C-N 3.31Å; L451-T454 WeakPolarHBondContact CA-OG1 3.31Å; L451-T454 PolarHBondContact O-N 3.02Å; L451-T454 PolarHBondContact O-OG1 3.03Å; L451-W455 WeakPolarHBondContact O-CB 3.28Å; L451-W455 PolarHBondContact O-N 2.97Å
452V88.6Confident84.1Confident47 Ų4771.2 Ų71.229%0.28540%0.397SS..Hα-helixtrans-63.5-41.7173.5173.10000110.3F448 F449 W455 L456F448-V452 HydrophobicContact CD1-CG2 4.42Å; F448-V452 HydrophobicContact CE1-CG2 4.02Å; F448-V452 HydrophobicContact CE2-CG2 4.4Å; F448-V452 HydrophobicContact CZ-CG2 4Å; F448-V452 WeakPolarHBondContact O-CG2 3.38Å; F448-V452 PolarHBondContact O-N 3.46Å; F449-V452 PolarHBondContact O-N 3.1Å; V452-W455 PolarHBondContact O-N 3.03Å; V452-L456 HydrophobicContact CG1-CD1 3.97Å; V452-L456 HydrophobicContact CG1-CG 4.38Å; V452-L456 WeakPolarHBondContact O-CB 3.44Å; V452-L456 VanDerWaalsContact O-CG 3.24Å; V452-L456 WeakPolarHBondContact O-CG 3.34Å; V452-L456 PolarHBondContact O-N 3.49Å
453F88.5Confident81.9Confident62 Ų6274 Ų7427%0.27242%0.42SS..Hα-helixtrans-61.7-47.3176174.7-97.5000112.2F6 A9 F449 G450 L451 L456 A457F6-F453 AromaticContact CD1-CE2 3.84Å; F6-F453 HydrophobicContact CD1-CE2 3.84Å; F6-F453 HydrophobicContact CD2-CD2 4.01Å; F6-F453 AromaticContact CD2-CE2 3.91Å; F6-F453 HydrophobicContact CD2-CE2 3.91Å; F6-F453 HydrophobicContact CE1-CD2 4.43Å; F6-F453 AromaticContact CE1-CE2 3.41Å; F6-F453 HydrophobicContact CE1-CE2 3.41Å; F6-F453 VanDerWaalsContact CE1-CE2 3.41Å; F6-F453 AromaticContact CE1-CZ 3.75Å; F6-F453 HydrophobicContact CE1-CZ 3.75Å; F6-F453 AromaticContact CE2-CD2 3.77Å; F6-F453 HydrophobicContact CE2-CD2 3.77Å; F6-F453 AromaticContact CE2-CE2 3.47Å; F6-F453 HydrophobicContact CE2-CE2 3.47Å; F6-F453 VanDerWaalsContact CE2-CE2 3.47Å; F6-F453 AromaticContact CE2-CZ 3.98Å; F6-F453 HydrophobicContact CE2-CZ 3.98Å; F6-F453 HydrophobicContact CG-CD2 4.44Å; F6-F453 HydrophobicContact CG-CE2 4.08Å; F6-F453 HydrophobicContact CZ-CD2 4.01Å; F6-F453 HydrophobicContact CZ-CE1 4.3Å; F6-F453 AromaticContact CZ-CE2 3.22Å; F6-F453 HydrophobicContact CZ-CE2 3.22Å; F6-F453 AromaticContact CZ-CZ 3.4Å; F6-F453 HydrophobicContact CZ-CZ 3.4Å; F6-F453 WeakPolarHBondContact O-CD2 3.37Å; F6-F453 WeakPolarHBondContact O-CE2 3.28Å; A9-F453 HydrophobicContact CB-CB 4.45Å; F449-F453 WeakPolarHBondContact O-CB 3.47Å; F449-F453 PolarHBondContact O-N 3.48Å; G450-F453 WeakPolarHBondContact O-CB 3.35Å; G450-F453 PolarHBondContact O-N 3.42Å; L451-F453 VanDerWaalsContact C-N 3.31Å; F453-L456 PolarHBondContact O-N 3.36Å; F453-A457 WeakPolarHBondContact O-CB 3.23Å; F453-A457 PolarHBondContact O-N 3.44Å
454T86.4Confident79.5Confident70 Ų7078.8 Ų78.843%0.42944%0.444SS..Hα-helixtrans-64.7-40.6177.755.50000111.8G450 L451 A457 C458G450-T454 WeakPolarHBondContact O-CG2 3.24Å; G450-T454 PolarHBondContact O-N 3.29Å; G450-T454 PolarHBondContact O-OG1 3.03Å; L451-T454 WeakPolarHBondContact CA-OG1 3.31Å; L451-T454 PolarHBondContact O-N 3.02Å; L451-T454 PolarHBondContact O-OG1 3.03Å; T454-A457 WeakPolarHBondContact O-CB 3.49Å; T454-A457 PolarHBondContact O-N 3.03Å; T454-C458 PolarHBondContact O-N 3.09Å; T454-C458 PolarHBondContact O-SG 2.94Å
455W86Confident77.2Confident153 Ų15382.9 Ų82.958%0.5846%0.457SS*.Hα-helixtrans-61.9-44.5174.9-179.580.3000112.4L451 V452 A457 C458 K459L451-W455 WeakPolarHBondContact O-CB 3.28Å; L451-W455 PolarHBondContact O-N 2.97Å; V452-W455 PolarHBondContact O-N 3.03Å; W455-A457 VanDerWaalsContact C-N 3.3Å; W455-A457 PolarHBondContact O-N 3.26Å; W455-C458 PolarHBondContact O-N 2.99Å; W455-K459 HydrophobicContact CH2-CD 3.97Å; W455-K459 HydrophobicContact CZ2-CD 4.01Å; W455-K459 HydrophobicContact CZ3-CD 4.48Å; W455-K459 WeakPolarHBondContact O-CB 3.14Å; W455-K459 PolarHBondContact O-N 2.95Å
456L84.1Confident75Confident60 Ų6087.8 Ų87.831%0.31448%0.478SS..Hα-helixtrans-63.1-36.3174.5-71.7172.9000111.9F6 V452 F453 G460F6-L456 HydrophobicContact CD2-CB 4.01Å; F6-L456 HydrophobicContact CE2-CB 4.35Å; V452-L456 HydrophobicContact CG1-CD1 3.97Å; V452-L456 HydrophobicContact CG1-CG 4.38Å; V452-L456 WeakPolarHBondContact O-CB 3.44Å; V452-L456 VanDerWaalsContact O-CG 3.24Å; V452-L456 WeakPolarHBondContact O-CG 3.34Å; V452-L456 PolarHBondContact O-N 3.49Å; F453-L456 PolarHBondContact O-N 3.36Å; L456-G460 PolarHBondContact O-N 2.88Å; L456-G460 VanDerWaalsContact O-N 3.07Å
457A81Confident72.5Confident28 Ų2890.9 Ų90.923%0.23151%0.51CS..Hα-helixtrans-65.1-49.1175.700000111.6F6 F453 T454 W455 K459 G460 Q461F6-A457 HydrophobicContact CE2-CB 3.76Å; F6-A457 HydrophobicContact CZ-CB 3.97Å; F453-A457 WeakPolarHBondContact O-CB 3.23Å; F453-A457 PolarHBondContact O-N 3.44Å; T454-A457 WeakPolarHBondContact O-CB 3.49Å; T454-A457 PolarHBondContact O-N 3.03Å; W455-A457 VanDerWaalsContact C-N 3.3Å; W455-A457 PolarHBondContact O-N 3.26Å; A457-K459 VanDerWaalsContact C-N 3.34Å; A457-K459 PolarHBondContact O-N 3.48Å; A457-G460 PolarHBondContact O-N 3.4Å; A457-Q461 PolarHBondContact O-N 2.93Å; A457-Q461 VanDerWaalsContact O-N 3.13Å
458C80.3Confident70.5Confident86 Ų8693.1 Ų93.158%0.58152%0.523SS*.Hα-helixtrans-63.2-37.8178.9-67.10000112.3T454 W455 G462T454-C458 PolarHBondContact O-N 3.09Å; T454-C458 PolarHBondContact O-SG 2.94Å; W455-C458 PolarHBondContact O-N 2.99Å; C458-G462 PolarHBondContact O-N 3.49Å
459K73.2Confident68.5Low137 Ų13791.7 Ų91.760%0.59653%0.534SS*.Hα-helixtrans-70.5-31.9176.3-163.3178.4-177.6179.20112.7W455 A457W455-K459 HydrophobicContact CH2-CD 3.97Å; W455-K459 HydrophobicContact CZ2-CD 4.01Å; W455-K459 HydrophobicContact CZ3-CD 4.48Å; W455-K459 WeakPolarHBondContact O-CB 3.14Å; W455-K459 PolarHBondContact O-N 2.95Å; A457-K459 VanDerWaalsContact C-N 3.34Å; A457-K459 PolarHBondContact O-N 3.48Å
460G62.3Low66.7Low39 Ų3995.8 Ų95.840%0.40256%0.559SS.*Hα-helixtrans-68.4-39175.300000113.2L456 A457 S463L456-G460 PolarHBondContact O-N 2.88Å; L456-G460 VanDerWaalsContact O-N 3.07Å; A457-G460 PolarHBondContact O-N 3.4Å; G460-S463 PolarHBondContact O-N 2.68Å; G460-S463 PolarHBondContact O-OG 2.96Å
461Q54.8Low64.8Low129 Ų129104.1 Ų104.160%0.60359%0.593SS**Hα-helixtrans-67-34.9176.8-85.6169-47.700113.1A457 S463 M464A457-Q461 PolarHBondContact O-N 2.93Å; A457-Q461 VanDerWaalsContact O-N 3.13Å; Q461-S463 PolarHBondContact O-N 2.97Å; Q461-S463 VanDerWaalsContact O-N 3.09Å; Q461-M464 PolarHBondContact O-N 3.32Å
462G50.3Low63Low61 Ų61110.1 Ų110.163%0.62961%0.608SS**THydrogen-bonded Turntrans-63.9-12.3176.300000115.7C458C458-G462 PolarHBondContact O-N 3.49Å
463S46Very low61.2Low94 Ų94112 Ų11266%0.65763%0.628SS**THydrogen-bonded Turntrans-96.7-8.4172.778.40000114.3G460 Q461G460-S463 PolarHBondContact O-N 2.68Å; G460-S463 PolarHBondContact O-OG 2.96Å; Q461-S463 PolarHBondContact O-N 2.97Å; Q461-S463 VanDerWaalsContact O-N 3.09Å
464M44.8Very low59.6Low157 Ų157114.5 Ų114.577%0.77365%0.651SS**THydrogen-bonded Turntrans-93.4-10.2177-75.8-17568.300113.3Q461Q461-M464 PolarHBondContact O-N 3.32Å
465D45.4Very low58.2Low146 Ų146119.8 Ų119.878%0.78168%0.675SS**  trans-90.24.5178.5-79.1-17.4000114.4G467D465-G467 PolarHBondContact O-N 3.45Å
466E47.3Very low56.5Low187 Ų187119 Ų11987%0.87468%0.681SS**  trans-79.270.9157.7-86.1-173.3162.100109.2T468E466-T468 PolarHBondContact O-N 3.01Å
467G42.3Very low54.6Low65 Ų65126.8 Ų126.867%0.6771%0.707SS**  trans-59.5129.4169.100000111D465D465-G467 PolarHBondContact O-N 3.45Å
468T51.1Low52.9Low120 Ų120135.3 Ų135.374%0.73676%0.756SS**  trans-46.7138173.4-0.60000112E466 D470E466-T468 PolarHBondContact O-N 3.01Å; T468-D470 PolarHBondContact O-N 2.88Å
469A51.6Low51.5Low91 Ų91137.8 Ų137.875%0.75276%0.764SS**G310 helixtrans-61.40.1-17800000115.9
470D54.5Low50.4Low153 Ų153137.8 Ų137.882%0.81877%0.773SS**G310 helixtrans-82.3-10.3-174.1-92.9-19.7000115.3T468T468-D470 PolarHBondContact O-N 2.88Å
471E51.9Low49.7Very low192 Ų192143.3 Ų143.390%0.89779%0.794SS**G310 helixtrans-90.12.4176.5-81-173.1156.400114.4
472R51.9Low49.4Very low236 Ų236144.1 Ų144.189%0.89181%0.805SS**  trans-10649179.1-64.4-174.4-171.4167.94.7113.3
473A52.4Low49.3Very low86 Ų86149.3 Ų149.371%0.71182%0.816SS**  trans-96.1122169.500000110.8
474P53.4Low49.6Very low114 Ų114153 Ų15374%0.7483%0.827SS**  trans-77.5127.517530.1-29.7000110.5I476P474-I476 PolarHBondContact O-N 2.99Å
475L57Low49.9Very low181 Ų181152.7 Ų152.795%0.94883%0.831SS**  trans-69.485.7167.7-80.4162.9000110.1
476I50.9Low50.3Low136 Ų136153.2 Ų153.270%0.69783%0.834SS**  trans-142.3132.6167.2-64.9-172.6000112.3P474P474-I476 PolarHBondContact O-N 2.99Å
477R43.8Very low50.5Low225 Ų225150.4 Ų150.485%0.84983%0.831SS**  trans82.3134.2162.9-81.9170.2-167.2-163.94117
478T45.2Very low51.2Low206 Ų206158.2 Ų158.2100%1.26485%0.846SS**  cis-154.5018.94.80000109.4

Retrieved 478 of 478 residues in 150.5 ms (Link to these results)

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