A0A077ZA24_TRITR Loading...

Neur chan LBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA24, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 301 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
1M59.9Low61.7Low203 Ų203134.2 Ų134.2100%164%0.641SS**  0-49.60-83.6-161.4-166.200113.8R3 L4 L5M1-R3 PolarHBondContact O-N 3.36Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.04Å
2L59.2Low61.6Low154 Ų154129 Ų12981%0.80663%0.63SS**Hα-helixtrans-56.6-41.5-172.3-136.184.7000115.3L4 L5 Y6L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 2.93Å; L2-L5 PolarHBondContact O-N 3.35Å; L2-Y6 PolarHBondContact O-N 3.37Å; L2-Y6 VanDerWaalsContact O-N 3.09Å
3R63.2Low61.6Low221 Ų221129.1 Ų129.183%0.83463%0.634SS**Hα-helixtrans-64.8-33.4177.9-77.1-172175.9-173.5-1113.7M1 L7M1-R3 PolarHBondContact O-N 3.36Å; R3-L7 PolarHBondContact O-N 3.32Å
4L63.2Low61.8Low129 Ų129127.9 Ų127.968%0.67563%0.63SS**Hα-helixtrans-72.7-38.7178.5-109.5135.4000111.3M1 L2 L7 M8M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.12Å; L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 2.93Å; L4-L7 PolarHBondContact O-N 3.45Å; L4-M8 WeakPolarHBondContact O-CB 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.49Å; L4-M8 PolarHBondContact O-N 2.86Å
5L63.1Low62.1Low107 Ų107125.9 Ų125.956%0.5662%0.623SS**Hα-helixtrans-64.3-40.6173.7-75.2163000111.7M1 L2 M8 Q9M1-L5 PolarHBondContact O-N 3.04Å; L2-L5 PolarHBondContact O-N 3.35Å; L5-M8 PolarHBondContact O-N 3.01Å; L5-Q9 WeakPolarHBondContact O-CB 3.33Å; L5-Q9 PolarHBondContact O-N 2.92Å
6Y63.6Low62.8Low163 Ų163120.2 Ų120.264%0.63961%0.607SS**Hα-helixtrans-65.8-44177-160.7-95.9000112L2 M8 Q9 V10L2-Y6 PolarHBondContact O-N 3.37Å; L2-Y6 VanDerWaalsContact O-N 3.09Å; Y6-M8 PolarHBondContact O-N 3.46Å; Y6-Q9 PolarHBondContact O-N 2.96Å; Y6-V10 HydrophobicContact CD1-CG2 3.9Å; Y6-V10 HydrophobicContact CE1-CG2 3.73Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.34Å; Y6-V10 PolarHBondContact O-N 2.89Å
7L62.1Low63.9Low110 Ų110120.1 Ų120.158%0.57661%0.608SS**Hα-helixtrans-59.9-44.3173.9-98.3149.8000112R3 L4 Q9 V10 I11R3-L7 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 3.45Å; L7-Q9 PolarHBondContact O-N 3.31Å; L7-V10 PolarHBondContact O-N 3.37Å; L7-I11 WeakPolarHBondContact O-CD1 3.39Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.17Å; L7-I11 PolarHBondContact O-N 3.34Å
8M59.2Low64.9Low126 Ų126121.9 Ų121.962%0.62161%0.608SS**Hα-helixtrans-63.9-38.9176.8-70.8-76.5-84.400112.1L4 L5 Y6 S12L4-M8 WeakPolarHBondContact O-CB 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.49Å; L4-M8 PolarHBondContact O-N 2.86Å; L5-M8 PolarHBondContact O-N 3.01Å; Y6-M8 PolarHBondContact O-N 3.46Å; M8-S12 WeakPolarHBondContact O-CB 3.41Å; M8-S12 PolarHBondContact O-N 2.87Å; M8-S12 PolarHBondContact O-OG 2.8Å; M8-S12 VanDerWaalsContact O-OG 3.12Å
9Q57.1Low65.8Low122 Ų122121.2 Ų121.257%0.5760%0.603SS**Hα-helixtrans-68.1-38.8174.8-83.6-176.9-35.800112.9L5 Y6 L7 S12 L13L5-Q9 WeakPolarHBondContact O-CB 3.33Å; L5-Q9 PolarHBondContact O-N 2.92Å; Y6-Q9 PolarHBondContact O-N 2.96Å; L7-Q9 PolarHBondContact O-N 3.31Å; Q9-S12 WeakPolarHBondContact CA-OG 3.41Å; Q9-S12 PolarHBondContact O-N 3.35Å; Q9-S12 PolarHBondContact O-OG 3.13Å; Q9-L13 WeakPolarHBondContact O-CB 3.33Å; Q9-L13 WeakPolarHBondContact O-CD1 3.36Å; Q9-L13 VanDerWaalsContact O-CG 3.26Å; Q9-L13 WeakPolarHBondContact O-CG 3.46Å; Q9-L13 PolarHBondContact O-N 2.91Å
10V64.3Low66.9Low54 Ų54119 Ų11933%0.32760%0.596SS.*Hα-helixtrans-67.4-41176.5172.50000110.6Y6 L7 L13 L14Y6-V10 HydrophobicContact CD1-CG2 3.9Å; Y6-V10 HydrophobicContact CE1-CG2 3.73Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.34Å; Y6-V10 PolarHBondContact O-N 2.89Å; L7-V10 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 2.84Å; V10-L14 HydrophobicContact CG1-CD1 3.87Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.31Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 3.26Å
11I63.5Low67.8Low87 Ų87115.9 Ų115.945%0.44659%0.589SS.*Hα-helixtrans-65-41.6175.9-66.3164.6000110.9L7 L14 N15L7-I11 WeakPolarHBondContact O-CD1 3.39Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.17Å; L7-I11 PolarHBondContact O-N 3.34Å; I11-L14 PolarHBondContact O-N 3.11Å; I11-N15 WeakPolarHBondContact O-CB 3.22Å; I11-N15 PolarHBondContact O-N 2.9Å
12S60.5Low69.1Low72 Ų72108.2 Ų108.250%0.50355%0.553SS.*Hα-helixtrans-69.1-35.8177.859.90000112.9M8 Q9 G16M8-S12 WeakPolarHBondContact O-CB 3.41Å; M8-S12 PolarHBondContact O-N 2.87Å; M8-S12 PolarHBondContact O-OG 2.8Å; M8-S12 VanDerWaalsContact O-OG 3.12Å; Q9-S12 WeakPolarHBondContact CA-OG 3.41Å; Q9-S12 PolarHBondContact O-N 3.35Å; Q9-S12 PolarHBondContact O-OG 3.13Å; S12-G16 PolarHBondContact O-N 3.25Å
13L61.7Low70.5Confident130 Ų130105.6 Ų105.668%0.68154%0.54SS*.Hα-helixtrans-65.1-45.3172.4-76.5166.1000111.9Q9 V10 G16 D17Q9-L13 WeakPolarHBondContact O-CB 3.33Å; Q9-L13 WeakPolarHBondContact O-CD1 3.36Å; Q9-L13 VanDerWaalsContact O-CG 3.26Å; Q9-L13 WeakPolarHBondContact O-CG 3.46Å; Q9-L13 PolarHBondContact O-N 2.91Å; V10-L13 PolarHBondContact O-N 2.84Å; L13-G16 PolarHBondContact O-N 3.39Å; L13-D17 PolarHBondContact O-N 2.98Å
14L65.3Low71.9Confident112 Ų112100.5 Ų100.559%0.58653%0.529SS*.Hα-helixtrans-64-41177.4-75.7167.6000112V10 I11 G16 D17 Y18V10-L14 HydrophobicContact CG1-CD1 3.87Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.31Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 3.26Å; I11-L14 PolarHBondContact O-N 3.11Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-D17 PolarHBondContact O-N 3.32Å; L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.95Å
15N66Low73.1Confident98 Ų9898.9 Ų98.952%0.52452%0.52SS..Hα-helixtrans-65.5-36174-84.3-10.9000112I11 Q19I11-N15 WeakPolarHBondContact O-CB 3.22Å; I11-N15 PolarHBondContact O-N 2.9Å; N15-Q19 WeakPolarHBondContact O-CB 3.36Å; N15-Q19 WeakPolarHBondContact O-CG 3.38Å; N15-Q19 PolarHBondContact O-N 3.24Å
16G73.3Confident74.3Confident35 Ų3597 Ų9736%0.36151%0.51SS..Hα-helixtrans-63.8-43.6175.300000112.8S12 L13 L14 T20S12-G16 PolarHBondContact O-N 3.25Å; L13-G16 PolarHBondContact O-N 3.39Å; L14-G16 VanDerWaalsContact C-N 3.32Å; G16-T20 WeakPolarHBondContact O-CB 3.48Å; G16-T20 PolarHBondContact O-N 3.47Å; G16-T20 PolarHBondContact O-OG1 2.8Å
17D81.3Confident75.4Confident118 Ų11891.5 Ų91.563%0.63150%0.496SS*.Hα-helixtrans-69.5-41179.6-152.26000111.5L13 L14 T20 A21L13-D17 PolarHBondContact O-N 2.98Å; L14-D17 PolarHBondContact O-N 3.32Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-A21 WeakPolarHBondContact O-CB 3.31Å; D17-A21 PolarHBondContact O-N 3.32Å
18Y82.6Confident76.7Confident154 Ų15494.2 Ų94.260%0.60450%0.498SS*.Hα-helixtrans-61.5-48.1174.5-179.3-96.6000112.6L14 T20 A21 V22L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.95Å; Y18-T20 VanDerWaalsContact C-N 3.32Å; Y18-T20 PolarHBondContact O-N 2.66Å; Y18-A21 PolarHBondContact O-N 3.3Å; Y18-V22 HydrophobicContact CD1-CG2 4.16Å; Y18-V22 HydrophobicContact CE1-CG2 3.73Å; Y18-V22 HydrophobicContact CE2-CG2 4.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.17Å; Y18-V22 PolarHBondContact O-N 2.73Å
19Q81.6Confident77.9Confident108 Ų10892.7 Ų92.751%0.50549%0.492SS..Hα-helixtrans-62.2-41.1178.3-69.8-67.1-31.100111.3N15 A21 V22 D23N15-Q19 WeakPolarHBondContact O-CB 3.36Å; N15-Q19 WeakPolarHBondContact O-CG 3.38Å; N15-Q19 PolarHBondContact O-N 3.24Å; Q19-A21 PolarHBondContact O-N 3.29Å; Q19-V22 PolarHBondContact O-N 3.34Å; Q19-D23 PolarHBondContact O-N 2.97Å
20T86.5Confident79.1Confident77 Ų7794.4 Ų94.447%0.47249%0.494SS..Hα-helixtrans-64.1-41.4177-53.20000111.8G16 D17 Y18 D23 L24G16-T20 WeakPolarHBondContact O-CB 3.48Å; G16-T20 PolarHBondContact O-N 3.47Å; G16-T20 PolarHBondContact O-OG1 2.8Å; D17-T20 PolarHBondContact O-N 3.49Å; Y18-T20 VanDerWaalsContact C-N 3.32Å; Y18-T20 PolarHBondContact O-N 2.66Å; T20-D23 PolarHBondContact O-N 2.8Å; T20-L24 HydrophobicContact CG2-CD1 4.3Å; T20-L24 WeakPolarHBondContact O-CB 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.44Å; T20-L24 PolarHBondContact O-N 2.61Å
21A87.4Confident79.9Confident53 Ų5399.9 Ų99.944%0.43851%0.509SS..Hα-helixtrans-63.9-41.2175.800000112.2D17 Y18 Q19 L24 L25D17-A21 WeakPolarHBondContact O-CB 3.31Å; D17-A21 PolarHBondContact O-N 3.32Å; Y18-A21 PolarHBondContact O-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.29Å; A21-L24 PolarHBondContact O-N 2.92Å; A21-L25 WeakPolarHBondContact O-CB 3.5Å; A21-L25 PolarHBondContact O-N 3.12Å
22V87.5Confident80.5Confident42 Ų4299.8 Ų99.826%0.25551%0.509SS..Hα-helixtrans-62.8-46.2175.3170.70000110.8Y18 Q19 L24 L25 I26Y18-V22 HydrophobicContact CD1-CG2 4.16Å; Y18-V22 HydrophobicContact CE1-CG2 3.73Å; Y18-V22 HydrophobicContact CE2-CG2 4.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.17Å; Y18-V22 PolarHBondContact O-N 2.73Å; Q19-V22 PolarHBondContact O-N 3.34Å; V22-L24 PolarHBondContact O-N 2.86Å; V22-L25 WeakPolarHBondContact O-CB 3.44Å; V22-L25 PolarHBondContact O-N 2.84Å; V22-I26 HydrophobicContact CG1-CD1 3.71Å; V22-I26 HydrophobicContact CG1-CG1 4.36Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.38Å; V22-I26 PolarHBondContact O-N 3.48Å
23D88.3Confident80.9Confident99 Ų99100.8 Ų100.853%0.52952%0.516SS..Hα-helixtrans-63.7-41.5178.8-76.5-21.2000112.4Q19 T20 L25 I26 S27Q19-D23 PolarHBondContact O-N 2.97Å; T20-D23 PolarHBondContact O-N 2.8Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 2.65Å; D23-I26 PolarHBondContact O-N 3.5Å; D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.32Å
24L91.1Very high80.9Confident114 Ų114105.4 Ų105.460%0.59753%0.525SS*.Hα-helixtrans-62.2-43.1174.5-75.9172.4000111.4T20 A21 V22 S27 R28T20-L24 HydrophobicContact CG2-CD1 4.3Å; T20-L24 WeakPolarHBondContact O-CB 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.44Å; T20-L24 PolarHBondContact O-N 2.61Å; A21-L24 PolarHBondContact O-N 2.92Å; V22-L24 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-N 3.02Å; L24-S27 PolarHBondContact O-OG 3.35Å; L24-R28 WeakPolarHBondContact O-CB 3.4Å; L24-R28 PolarHBondContact O-N 2.94Å
25L89.7Confident80.6Confident96 Ų96107 Ų10750%0.50353%0.527SS..Hα-helixtrans-62-48176.2-179.663.3000111.3A21 V22 D23 S27 R28 I29A21-L25 WeakPolarHBondContact O-CB 3.5Å; A21-L25 PolarHBondContact O-N 3.12Å; V22-L25 WeakPolarHBondContact O-CB 3.44Å; V22-L25 PolarHBondContact O-N 2.84Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 2.65Å; L25-S27 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 2.85Å; L25-R28 WeakPolarHBondContact O-CB 2.96Å; L25-R28 PolarHBondContact O-N 2.91Å; L25-R28 VanDerWaalsContact O-N 3.16Å; L25-I29 HydrophobicContact CD1-CD1 4.28Å; L25-I29 HydrophobicContact CD1-CG1 4.5Å; L25-I29 HydrophobicContact CG-CD1 3.98Å; L25-I29 VanDerWaalsContact O-CG1 3.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.2Å; L25-I29 PolarHBondContact O-N 2.86Å
26I88.1Confident79.9Confident66 Ų66105.5 Ų105.534%0.33854%0.535SS..Hα-helixtrans-58.6-44.9176.9-70.6169.3000110.4V22 D23 R28 I29 Y30V22-I26 HydrophobicContact CG1-CD1 3.71Å; V22-I26 HydrophobicContact CG1-CG1 4.36Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.38Å; V22-I26 PolarHBondContact O-N 3.48Å; D23-I26 PolarHBondContact O-N 3.5Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 2.88Å; I26-I29 PolarHBondContact O-N 3.17Å; I26-Y30 HydrophobicContact CG2-CD2 3.7Å; I26-Y30 HydrophobicContact CG2-CE2 3.25Å; I26-Y30 PolarHBondContact O-N 3.05Å
27S87.2Confident79Confident49 Ų49110.7 Ų110.734%0.34355%0.549SS..Hα-helixtrans-62.7-37.8178.282.20000112.5D23 L24 L25 R31D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.32Å; L24-S27 PolarHBondContact O-N 3.02Å; L24-S27 PolarHBondContact O-OG 3.35Å; L25-S27 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 2.85Å; S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 2.99Å
28R87.9Confident77.5Confident166 Ų166108.6 Ų108.663%0.62656%0.556SS**Hα-helixtrans-66.5-43.5175.2-178.2179.9179.8-176.3-0.6110.9L24 L25 I26 R31 N32L24-R28 WeakPolarHBondContact O-CB 3.4Å; L24-R28 PolarHBondContact O-N 2.94Å; L25-R28 WeakPolarHBondContact O-CB 2.96Å; L25-R28 PolarHBondContact O-N 2.91Å; L25-R28 VanDerWaalsContact O-N 3.16Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 2.88Å; R28-R31 PolarHBondContact O-N 3.12Å; R28-N32 WeakPolarHBondContact O-CB 3.29Å; R28-N32 PolarHBondContact O-N 3.05Å
29I85.4Confident75.9Confident95 Ų95106.2 Ų106.249%0.48755%0.552SS.*Hα-helixtrans-60.1-50176.1-69.2167.1000109.9L25 I26 R31 N32 S33L25-I29 HydrophobicContact CD1-CD1 4.28Å; L25-I29 HydrophobicContact CD1-CG1 4.5Å; L25-I29 HydrophobicContact CG-CD1 3.98Å; L25-I29 VanDerWaalsContact O-CG1 3.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.2Å; L25-I29 PolarHBondContact O-N 2.86Å; I26-I29 PolarHBondContact O-N 3.17Å; I29-R31 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 2.94Å; I29-N32 PolarHBondContact O-N 3.04Å; I29-S33 WeakPolarHBondContact O-CB 3.34Å; I29-S33 PolarHBondContact O-N 2.81Å
30Y82.8Confident74.5Confident157 Ų157103.5 Ų103.562%0.61654%0.544SS*.Hα-helixtrans-61.4-41178.2-70.8-33.9000112.9I26 R34I26-Y30 HydrophobicContact CG2-CD2 3.7Å; I26-Y30 HydrophobicContact CG2-CE2 3.25Å; I26-Y30 PolarHBondContact O-N 3.05Å; Y30-R34 PolarHBondContact O-N 3.48Å; Y30-R34 VanDerWaalsContact O-N 3.14Å
31R79.3Confident72.8Confident169 Ų169108.2 Ų108.264%0.63856%0.561SS**Hα-helixtrans-64.8-40.7178.5-168.2-174.1-57.1-176.33.1112S27 R28 I29S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 2.99Å; R28-R31 PolarHBondContact O-N 3.12Å; I29-R31 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 2.94Å
32N77.3Confident71.2Confident86 Ų86114 Ų11446%0.4658%0.579SS.*Hα-helixtrans-77.4-37.2179.8-74.7-4.7000112.1R28 I29 R34 K35R28-N32 WeakPolarHBondContact O-CB 3.29Å; R28-N32 PolarHBondContact O-N 3.05Å; I29-N32 PolarHBondContact O-N 3.04Å; N32-R34 PolarHBondContact O-N 2.87Å; N32-K35 PolarHBondContact O-N 2.77Å
33S69.3Low69.6Low93 Ų93114.7 Ų114.765%0.6558%0.581SS**Hα-helixtrans-64.7-35.9177.9172.10000112.8I29 K35I29-S33 WeakPolarHBondContact O-CB 3.34Å; I29-S33 PolarHBondContact O-N 2.81Å; S33-K35 VanDerWaalsContact C-N 3.32Å; S33-K35 PolarHBondContact O-N 2.73Å
34R60.8Low67.5Low227 Ų227117.2 Ų117.286%0.85759%0.588SS**THydrogen-bonded Turntrans-74-19.4176.9-75.9-172.1-176.1-164.82.5114.1Y30 N32 G36Y30-R34 PolarHBondContact O-N 3.48Å; Y30-R34 VanDerWaalsContact O-N 3.14Å; N32-R34 PolarHBondContact O-N 2.87Å; R34-G36 PolarHBondContact O-N 3.28Å
35K59.6Low65.4Low144 Ų144116.1 Ų116.163%0.62660%0.595SS**SBendtrans-73100.3169.4-69.9-179.9178.6-175.80105.8N32 S33 H37N32-K35 PolarHBondContact O-N 2.77Å; S33-K35 VanDerWaalsContact C-N 3.32Å; S33-K35 PolarHBondContact O-N 2.73Å; K35-H37 PolarHBondContact O-N 3.34Å
36G50.7Low63.5Low67 Ų67118.8 Ų118.869%0.69161%0.605SS**  trans-43.4135.8178.400000110.2R34 G38R34-G36 PolarHBondContact O-N 3.28Å; G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.58Å
37H54.4Low61.8Low144 Ų144119.8 Ų119.867%0.66761%0.614SS**  trans-62.487.2-173.1-142.649.3000109.6K35 M39K35-H37 PolarHBondContact O-N 3.34Å; H37-M39 WeakPolarHBondContact CD2-CG 3.37Å; H37-M39 PolarHBondContact O-N 2.81Å
38G51.1Low60Low75 Ų75121.6 Ų121.677%0.77362%0.623SS**  trans-73.379.516200000106.7G36 S40G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.58Å; G38-S40 PolarHBondContact O-N 2.91Å
39M47.3Very low58.2Low104 Ų104123 Ų12351%0.51263%0.629SS.*  trans-56.4123.1177.7-76.1-178.6-58.100108.8H37 D43H37-M39 WeakPolarHBondContact CD2-CG 3.37Å; H37-M39 PolarHBondContact O-N 2.81Å; M39-D43 HydrophobicContact CB-CB 4.15Å; M39-D43 HydrophobicContact CG-CB 4.29Å
40S53.4Low56.8Low51 Ų51121.7 Ų121.736%0.35762%0.622SS.*  trans-65.7161.5166.6750000109.1G38 E42 D43G38-S40 PolarHBondContact O-N 2.91Å; S40-E42 PolarHBondContact O-N 2.96Å; S40-D43 WeakPolarHBondContact CB-OD2 3.33Å; S40-D43 PolarHBondContact N-OD2 3.23Å; S40-D43 PolarHBondContact O-N 3.02Å; S40-D43 PolarHBondContact OG-N 2.91Å; S40-D43 PolarHBondContact OG-OD2 3.22Å
41Q51.2Low55.9Low175 Ų175116.5 Ų116.582%0.81861%0.609SS**THydrogen-bonded Turntrans-65.6-18.3-177.6-163.4164.2-10.900112.9
42E53.4Low55.4Low175 Ų175112 Ų11282%0.81860%0.596SS**THydrogen-bonded Turntrans-79-30.6171.3-81175.4146.700112.8S40 K44S40-E42 PolarHBondContact O-N 2.96Å; E42-K44 PolarHBondContact O-N 2.79Å
43D52.5Low55.3Low57 Ų57112 Ų11231%0.30559%0.592SS.*G310 helixtrans-73.4-8.5179.2-58.9-41.2000113.3M39 S40 A45 E46M39-D43 HydrophobicContact CB-CB 4.15Å; M39-D43 HydrophobicContact CG-CB 4.29Å; S40-D43 WeakPolarHBondContact CB-OD2 3.33Å; S40-D43 PolarHBondContact N-OD2 3.23Å; S40-D43 PolarHBondContact O-N 3.02Å; S40-D43 PolarHBondContact OG-N 2.91Å; S40-D43 PolarHBondContact OG-OD2 3.22Å; D43-A45 PolarHBondContact O-N 2.78Å; D43-A45 VanDerWaalsContact O-N 3.16Å; D43-E46 PolarHBondContact O-N 2.94Å
44K45.4Very low55.8Low152 Ų152108.6 Ų108.666%0.66157%0.566SS**G310 helixtrans-63.1-18176.2-83.6-175.2175.6-179.80113.7E42E42-K44 PolarHBondContact O-N 2.79Å
45A46.5Very low56.8Low91 Ų91102.9 Ų102.975%0.75255%0.549SS*.G310 helixtrans-83.5-23174.100000112.7D43 T47D43-A45 PolarHBondContact O-N 2.78Å; D43-A45 VanDerWaalsContact O-N 3.16Å; A45-T47 PolarHBondContact O-N 2.86Å
46E49.6Very low57.7Low151 Ų15197.5 Ų97.571%0.70653%0.528SS*.SBendtrans-91.672.2174.6-73.8-170164.100109.8D43 T48D43-E46 PolarHBondContact O-N 2.94Å; E46-T48 PolarHBondContact O-N 2.84Å
47T51.9Low59.2Low88 Ų88102.2 Ų102.254%0.5453%0.525SS..  trans-54.3117.1167.253.10000108.3A45 R49A45-T47 PolarHBondContact O-N 2.86Å; T47-R49 WeakPolarHBondContact O-CG 3.27Å; T47-R49 PolarHBondContact O-N 2.67Å
48T49.6Very low60.4Low87 Ų8798.1 Ų98.153%0.53451%0.506SS..  trans-52.9109.1172.9-590000108.1E46 I50 T292E46-T48 PolarHBondContact O-N 2.84Å; T48-I50 HydrophobicContact CG2-CG1 4.41Å; T48-I50 PolarHBondContact O-N 3.27Å; T48-T292 VanDerWaalsContact O-CB 3.23Å; T48-T292 WeakPolarHBondContact O-CB 3.47Å; T48-T292 WeakPolarHBondContact O-CG2 3.42Å
49R51.5Low61.9Low195 Ų19598.1 Ų98.174%0.73649%0.487SS*.  trans-81.4110.6178.9-60.8-179.7102.1122.5-2107.8T47T47-R49 WeakPolarHBondContact O-CG 3.27Å; T47-R49 PolarHBondContact O-N 2.67Å
50I55.3Low63.7Low67 Ų6794 Ų9434%0.34447%0.47SS..  trans-95123.4170.6-61.8172.1000105T48 I290 T292T48-I50 HydrophobicContact CG2-CG1 4.41Å; T48-I50 PolarHBondContact O-N 3.27Å; I50-I290 HydrophobicContact CD1-CB 3.7Å; I50-I290 HydrophobicContact CD1-CG2 3.27Å; I50-T292 HydrophobicContact CB-CG2 3.39Å; I50-T292 HydrophobicContact CD1-CG2 3.47Å; I50-T292 VanDerWaalsContact CD1-CG2 3.47Å; I50-T292 HydrophobicContact CG1-CG2 3.31Å
51S64.4Low65.3Low49 Ų4998.8 Ų98.834%0.34349%0.487SS..EExtended strand (participates in β ladder)trans-123.6123.2-161.5-102.50000106.1D132S51-D132 WeakPolarHBondContact CA-OD1 3.39Å; S51-D132 WeakPolarHBondContact CB-OD1 3.48Å; S51-D132 WeakPolarHBondContact CB-OD2 3.37Å; S51-D132 PolarHBondContact OG-OD1 3.28Å; S51-D132 PolarHBondContact OG-OD2 2.93Å
52M67.5Low67.1Low73 Ų7391.7 Ų91.736%0.3645%0.454SS..EExtended strand (participates in β ladder)trans-85.6127.5-179.6-81.7-170.953.200109.6M54 C133 M135M52-M54 PolarHBondContact O-N 3.14Å; M52-C133 PolarHBondContact N-O 3.26Å; M52-C133 PolarHBondContact O-N 2.83Å; M52-M135 HydrophobicContact CB-CE 3.89Å; M52-M135 HydrophobicContact CB-CG 4.29Å; M52-M135 HydrophobicContact CB-SD 4.27Å; M52-M135 HydrophobicContact CE-CE 3.63Å; M52-M135 HydrophobicContact CE-SD 3.77Å; M52-M135 HydrophobicContact CG-CE 4.36Å; M52-M135 HydrophobicContact CG-CG 4.37Å; M52-M135 HydrophobicContact CG-SD 4.16Å; M52-M135 HydrophobicContact SD-CB 4.44Å; M52-M135 HydrophobicContact SD-CE 3.75Å; M52-M135 HydrophobicContact SD-CG 4.04Å; M52-M135 HydrophobicContact SD-SD 3.17Å
53K76.7Confident68.9Low87 Ų8787.5 Ų87.538%0.37844%0.44SS..EExtended strand (participates in β ladder)trans-76.8109.8172.8-169.9175.1-166.7-177.60109.7H55 V100 N101K53-H55 WeakPolarHBondContact CD-NE2 3.44Å; K53-H55 WeakPolarHBondContact CE-CE1 2.95Å; K53-H55 WeakPolarHBondContact CE-NE2 3.28Å; K53-V100 HydrophobicContact CD-CB 4.32Å; K53-V100 HydrophobicContact CD-CG1 3.87Å; K53-V100 HydrophobicContact CG-CB 4.2Å; K53-V100 HydrophobicContact CG-CG1 4.18Å; K53-V100 HydrophobicContact CG-CG2 4.11Å; K53-N101 WeakPolarHBondContact CE-OD1 3.46Å; K53-N101 PolarHBondContact NZ-ND2 3.04Å; K53-N101 PolarHBondContact NZ-OD1 2.72Å
54M79.7Confident70.7Confident22 Ų2286.3 Ų86.311%0.10843%0.431CS..EExtended strand (participates in β ladder)trans-93.6121.1174.8-176.4177.962.900109.9M52 V56 S130 T131 C147 I149 F231M52-M54 PolarHBondContact O-N 3.14Å; M54-V56 HydrophobicContact CE-CG2 3.92Å; M54-V56 HydrophobicContact CG-CG2 3.78Å; M54-V56 HydrophobicContact SD-CG2 3.85Å; M54-S130 CarbonylContact O-C 3.4Å; M54-S130 VanDerWaalsContact O-CA 3.22Å; M54-S130 WeakPolarHBondContact O-CA 3.24Å; M54-T131 WeakPolarHBondContact CE-OG1 3.42Å; M54-T131 PolarHBondContact N-O 2.97Å; M54-T131 PolarHBondContact O-N 2.94Å; M54-C147 HydrophobicContact CE-CB 3.94Å; M54-C147 HydrophobicContact SD-CB 4.06Å; M54-I149 HydrophobicContact CE-CD1 4.26Å; M54-I149 HydrophobicContact CE-CG1 4.15Å; M54-F231 HydrophobicContact SD-CD2 4.5Å; M54-F231 HydrophobicContact SD-CE2 3.41Å; M54-F231 WeakPolarHBondContact SD-CE2 3.45Å; M54-F231 HydrophobicContact SD-CZ 3.65Å
55H80.8Confident73Confident107 Ų10785.4 Ų85.450%0.49543%0.425SS..EExtended strand (participates in β ladder)trans-105.9115173.3-70.9-80.9000110.3K53 V129 S130K53-H55 WeakPolarHBondContact CD-NE2 3.44Å; K53-H55 WeakPolarHBondContact CE-CE1 2.95Å; K53-H55 WeakPolarHBondContact CE-NE2 3.28Å; H55-V129 CarbonylContact C-O 3.56Å; H55-V129 WeakPolarHBondContact CA-O 3.02Å; H55-S130 PolarHBondContact CE1-OG 3.46Å; H55-S130 VanDerWaalsContact CE1-OG 3.26Å; H55-S130 PolarHBondContact ND1-OG 3.25Å
56V79.6Confident75.2Confident31 Ų3182.4 Ų82.419%0.18840%0.396CS..EExtended strand (participates in β ladder)trans-117.2123.1178.3-174.90000109.3M54 H58 M128 V129M54-V56 HydrophobicContact CE-CG2 3.92Å; M54-V56 HydrophobicContact CG-CG2 3.78Å; M54-V56 HydrophobicContact SD-CG2 3.85Å; V56-H58 HydrophobicContact CG1-CB 4.24Å; V56-M128 CarbonylContact O-C 3.52Å; V56-M128 WeakPolarHBondContact O-CA 3.41Å; V56-V129 HydrophobicContact CB-CB 4.49Å; V56-V129 PolarHBondContact N-O 2.82Å; V56-V129 PolarHBondContact O-N 2.83Å
57R81Confident77.2Confident166 Ų16678 Ų7863%0.62639%0.386SS*.EExtended strand (participates in β ladder)trans-110.3120.9168.2-173.8175.9-179.1-176.3-3.5107.5E126 M128R57-E126 HydrophobicContact CG-CG 4.2Å; R57-E126 IonicContact CZ-OE1 3.34Å; R57-E126 IonicContact CZ-OE2 2.71Å; R57-E126 IonicContact NE-OE1 3.9Å; R57-E126 PolarHBondContact NE-OE1 2.99Å; R57-E126 IonicContact NE-OE2 2.72Å; R57-E126 IonicContact NH2-OE1 3.12Å; R57-E126 PolarHBondContact NH2-OE1 3.17Å; R57-E126 IonicContact NH2-OE2 2.68Å; R57-E126 PolarHBondContact NH2-OE2 3.39Å; R57-M128 HydrophobicContact CB-CE 4.49Å
58H80Confident79.1Confident57 Ų5781 Ų8126%0.26440%0.398SS..EExtended strand (participates in β ladder)trans-148.7165.2-17370.1-52.6000111.3V56 E126 V127V56-H58 HydrophobicContact CG1-CB 4.24Å; H58-E126 CarbonylContact O-C 3.54Å; H58-E126 WeakPolarHBondContact O-CA 3.4Å; H58-V127 PolarHBondContact N-O 2.66Å; H58-V127 PolarHBondContact ND1-O 2.93Å; H58-V127 PolarHBondContact O-N 2.89Å
59I83.2Confident81.2Confident75 Ų7579 Ų7939%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-95.4118.8168.5-61.5168.1000106.6P125 W175I59-P125 WeakPolarHBondContact CA-O 3.39Å; I59-W175 HydrophobicContact CD1-CE3 3.94Å; I59-W175 HydrophobicContact CD1-CH2 3.14Å; I59-W175 HydrophobicContact CD1-CZ2 4Å; I59-W175 HydrophobicContact CD1-CZ3 3.09Å; I59-W175 HydrophobicContact CG1-CH2 4.33Å
60A85.5Confident83.2Confident19 Ų1971.8 Ų71.816%0.15737%0.366CS..PPolyproline II helixtrans-97126.2178.900000109I62 S124 P125 V127A60-I62 HydrophobicContact CB-CG1 4.34Å; A60-S124 CarbonylContact O-C 3.55Å; A60-S124 VanDerWaalsContact O-CA 3.24Å; A60-S124 WeakPolarHBondContact O-CA 3.1Å; A60-P125 PolarHBondContact N-O 2.9Å; A60-P125 VanDerWaalsContact O-CD 3.22Å; A60-P125 WeakPolarHBondContact O-CD 3.41Å; A60-V127 HydrophobicContact CB-CB 4.42Å; A60-V127 HydrophobicContact CB-CG2 3.9Å
61E86.3Confident85.2Confident150 Ų15070.8 Ų70.870%0.70136%0.358SS*.PPolyproline II helixtrans-86.5117.6170.3-64.7-173.3168.900108.9Y122E61-Y122 HydrophobicContact CB-CE2 4.29Å; E61-Y122 HydrophobicContact CG-CE2 4.32Å
62I88.3Confident86.7Confident27 Ų2775.1 Ų75.114%0.13837%0.37CS..EExtended strand (participates in β ladder)trans-118.9124.7-177.9-53176.8000108A60 W64 Y107 Y122 T123 P125A60-I62 HydrophobicContact CB-CG1 4.34Å; I62-W64 HydrophobicContact CG2-CE3 3.99Å; I62-W64 HydrophobicContact CG2-CZ3 4.19Å; I62-Y107 HydrophobicContact CD1-CD1 3.96Å; I62-Y107 HydrophobicContact CD1-CE1 3.33Å; I62-Y122 WeakPolarHBondContact O-CA 3.42Å; I62-T123 HydrophobicContact CB-CG2 3.93Å; I62-T123 PolarHBondContact N-O 3.12Å; I62-T123 PolarHBondContact O-N 2.99Å; I62-P125 HydrophobicContact CD1-CG 3.89Å
63V90.8Very high88Confident86 Ų8673.9 Ų73.952%0.52137%0.365SS..EExtended strand (participates in β ladder)trans-125.8130177.9-178.50000109V121 Y122V63-V121 VanDerWaalsContact CA-O 3.29Å; V63-V121 WeakPolarHBondContact CA-O 3.31Å; V63-Y122 HydrophobicContact CG2-CD2 3.8Å
64W91.7Very high88.8Confident33 Ų3376.8 Ų76.813%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-141.3170.2170.872.498.7000110.6I62 W90 M91 V113 V121 T123I62-W64 HydrophobicContact CG2-CE3 3.99Å; I62-W64 HydrophobicContact CG2-CZ3 4.19Å; W64-W90 AromaticContact CD1-CZ3 3.83Å; W64-W90 WeakPolarHBondContact CZ2-O 3.4Å; W64-W90 AromaticContact NE1-CE3 3.88Å; W64-W90 AromaticContact NE1-CZ3 3.64Å; W64-M91 HydrophobicContact CH2-CE 4.18Å; W64-M91 HydrophobicContact CH2-SD 3.61Å; W64-M91 HydrophobicContact CZ2-SD 4.2Å; W64-V113 HydrophobicContact CH2-CG1 4.18Å; W64-V121 HydrophobicContact CD2-CB 3.71Å; W64-V121 HydrophobicContact CD2-CG1 4.18Å; W64-V121 HydrophobicContact CD2-CG2 4.34Å; W64-V121 VanDerWaalsContact CE2-CB 3.49Å; W64-V121 HydrophobicContact CE3-CB 4Å; W64-V121 HydrophobicContact CE3-CG1 4.18Å; W64-V121 HydrophobicContact CG-CB 4.32Å; W64-V121 HydrophobicContact CH2-CB 3.95Å; W64-V121 HydrophobicContact CH2-CG1 3.28Å; W64-V121 HydrophobicContact CZ2-CB 3.65Å; W64-V121 HydrophobicContact CZ2-CG1 3.26Å; W64-V121 HydrophobicContact CZ2-CG2 4.07Å; W64-V121 HydrophobicContact CZ3-CB 4.11Å; W64-V121 HydrophobicContact CZ3-CG1 3.75Å; W64-V121 PolarHBondContact N-O 2.83Å; W64-V121 VanDerWaalsContact N-O 3.12Å; W64-V121 PolarHBondContact O-N 3.17Å; W64-T123 HydrophobicContact CH2-CG2 4.23Å; W64-T123 HydrophobicContact CZ3-CG2 3.72Å
65Y92.6Very high89.6Confident132 Ų13281 Ų8152%0.51840%0.403SS..EExtended strand (participates in β ladder)trans-116130.8176.4175.6-97.7000109A67 A118 Y120Y65-A67 HydrophobicContact CE1-CB 3.91Å; Y65-A118 WeakPolarHBondContact CE2-O 3.41Å; Y65-Y120 HydrophobicContact CD2-CD1 4.07Å; Y65-Y120 HydrophobicContact CD2-CD2 4.39Å; Y65-Y120 AromaticContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE2 4.26Å; Y65-Y120 HydrophobicContact CD2-CG 4.3Å
66D92.1Very high90.3Very high28 Ų2882.6 Ų82.615%0.1541%0.406CS..  trans-133.5111.2173.5-177.6-3.8000109.5N68 I69 G119D66-N68 PolarHBondContact O-N 2.77Å; D66-N68 WeakPolarHBondContact OD1-CB 3.2Å; D66-N68 PolarHBondContact OD1-N 2.87Å; D66-N68 PolarHBondContact OD1-ND2 2.75Å; D66-I69 HydrophobicContact CB-CD1 3.91Å; D66-I69 HydrophobicContact CB-CG1 3.85Å; D66-I69 WeakPolarHBondContact O-CG1 3.03Å; D66-G119 PolarHBondContact N-O 3.04Å; D66-G119 WeakPolarHBondContact O-CA 3.3Å
67A92.1Very high91Very high59 Ų5990 Ų9049%0.48844%0.438SS..G310 helixtrans-67.5-23.5-178.800000113Y65 I69 A70Y65-A67 HydrophobicContact CE1-CB 3.91Å; A67-I69 PolarHBondContact O-N 3.37Å; A67-A70 WeakPolarHBondContact O-CB 3.4Å; A67-A70 PolarHBondContact O-N 3.29Å
68N92.3Very high91.6Very high151 Ų15187.1 Ų87.181%0.80744%0.435SS*.G310 helixtrans-74.2-19.2-174.9-57.4-62.2000113D66D66-N68 PolarHBondContact O-N 2.77Å; D66-N68 WeakPolarHBondContact OD1-CB 3.2Å; D66-N68 PolarHBondContact OD1-N 2.87Å; D66-N68 PolarHBondContact OD1-ND2 2.75Å
69I93.3Very high92.3Very high46 Ų4687.3 Ų87.324%0.23644%0.44CS..G310 helixtrans-109.612.1179.464176000112D66 A67 W71 V115 V121D66-I69 HydrophobicContact CB-CD1 3.91Å; D66-I69 HydrophobicContact CB-CG1 3.85Å; D66-I69 WeakPolarHBondContact O-CG1 3.03Å; A67-I69 PolarHBondContact O-N 3.37Å; I69-W71 WeakPolarHBondContact O-CZ3 3.47Å; I69-V115 HydrophobicContact CD1-CG1 3.79Å; I69-V115 HydrophobicContact CD1-CG2 4.47Å; I69-V115 HydrophobicContact CG1-CG1 4.21Å; I69-V121 HydrophobicContact CD1-CG2 3.46Å; I69-V121 VanDerWaalsContact CD1-CG2 3.46Å
70A95Very high92.9Very high42 Ų4290.3 Ų90.335%0.34745%0.45SS..  trans-76.3147170.800000110.4A67 S117A67-A70 WeakPolarHBondContact O-CB 3.4Å; A67-A70 PolarHBondContact O-N 3.29Å; A70-S117 WeakPolarHBondContact CA-O 3.4Å
71W95.8Very high93.4Very high47 Ų4792.8 Ų92.818%0.17846%0.463CS..  trans-139.3154.9175.567.993.2000111.5I69 Y76 V79 V82 V115 W116 S117I69-W71 WeakPolarHBondContact O-CZ3 3.47Å; W71-Y76 HydrophobicContact CB-CD2 3.87Å; W71-Y76 HydrophobicContact CB-CE2 3.74Å; W71-Y76 AromaticContact CD1-CD2 3.52Å; W71-Y76 AromaticContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CE2 4.23Å; W71-V79 PolarHBondContact NE1-O 3.13Å; W71-V82 HydrophobicContact CH2-CG1 4.46Å; W71-V82 HydrophobicContact CH2-CG2 3.88Å; W71-V82 HydrophobicContact CZ2-CG1 4.39Å; W71-V82 HydrophobicContact CZ3-CG2 4.4Å; W71-V115 HydrophobicContact CH2-CB 4.48Å; W71-V115 HydrophobicContact CH2-CG1 4.21Å; W71-V115 WeakPolarHBondContact CH2-O 3.29Å; W71-V115 HydrophobicContact CZ3-CB 4.42Å; W71-V115 HydrophobicContact CZ3-CG1 3.74Å; W71-W116 VanDerWaalsContact CH2-C 3.47Å; W71-S117 VanDerWaalsContact CE2-CA 3.44Å; W71-S117 VanDerWaalsContact CE2-CB 3.42Å; W71-S117 VanDerWaalsContact CZ2-CA 3.42Å; W71-S117 PolarHBondContact N-O 2.94Å; W71-S117 VanDerWaalsContact O-O 3.06Å
72K95.7Very high93.9Very high140 Ų14088.2 Ų88.261%0.60945%0.445SS*.  trans-79.4136.8172.9-69.4-177.1-178.4176.80110E74 D75K72-E74 WeakPolarHBondContact CB-OE2 3.3Å; K72-E74 PolarHBondContact O-N 2.89Å; K72-D75 PolarHBondContact O-N 2.79Å
73L94.8Very high94.3Very high46 Ų4691.1 Ų91.124%0.24147%0.465CS..G310 helixtrans-63-34.7-177.8-69.4179000111.6D75 Y76 N78 V79 K80 S117L73-D75 VanDerWaalsContact C-N 3.27Å; L73-D75 PolarHBondContact O-N 3.34Å; L73-Y76 PolarHBondContact O-N 2.71Å; L73-N78 VanDerWaalsContact O-CA 3.31Å; L73-N78 WeakPolarHBondContact O-CA 3.45Å; L73-N78 PolarHBondContact O-N 3.37Å; L73-V79 WeakPolarHBondContact CD2-O 3.45Å; L73-K80 HydrophobicContact CD1-CG 4.41Å; L73-K80 HydrophobicContact CD2-CB 4.37Å; L73-K80 HydrophobicContact CD2-CG 3.81Å; L73-S117 WeakPolarHBondContact CD2-OG 3.14Å
74E95.1Very high94.5Very high148 Ų14889 Ų8969%0.69245%0.452SS*.G310 helixtrans-65.1-31.2-177.7-56.780.7-16900112.5K72 Y76K72-E74 WeakPolarHBondContact CB-OE2 3.3Å; K72-E74 PolarHBondContact O-N 2.89Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-Y76 PolarHBondContact O-N 3Å
75D95.7Very high94.5Very high112 Ų11291 Ų9160%0.59946%0.462SS*.G310 helixtrans-77.2-17.2-176.8-63.6-21.3000112.5K72 L73K72-D75 PolarHBondContact O-N 2.79Å; L73-D75 VanDerWaalsContact C-N 3.27Å; L73-D75 PolarHBondContact O-N 3.34Å
76Y95Very high94.5Very high140 Ų14085.3 Ų85.355%0.54944%0.442SS..G310 helixtrans-135.848.4-171.3-62.7-85.3000112.7W71 L73 E74 N78 V79W71-Y76 HydrophobicContact CB-CD2 3.87Å; W71-Y76 HydrophobicContact CB-CE2 3.74Å; W71-Y76 AromaticContact CD1-CD2 3.52Å; W71-Y76 AromaticContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CE2 4.23Å; L73-Y76 PolarHBondContact O-N 2.71Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-Y76 PolarHBondContact O-N 3Å; Y76-N78 PolarHBondContact O-N 2.88Å; Y76-V79 WeakPolarHBondContact O-CB 3.44Å; Y76-V79 VanDerWaalsContact O-CG2 3.23Å; Y76-V79 WeakPolarHBondContact O-CG2 3.5Å; Y76-V79 PolarHBondContact O-N 3.4Å
77E94.7Very high94.4Very high186 Ų18688.3 Ų88.387%0.86946%0.463SS*.THydrogen-bonded Turntrans51.333.8174-58.8-172.7173.700114.5V79E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 2.82Å
78N93.6Very high94.4Very high105 Ų10594.4 Ų94.456%0.56148%0.475SS*.THydrogen-bonded Turntrans60.426.1-175.9-56.8-68.7000115.2L73 Y76 K80L73-N78 VanDerWaalsContact O-CA 3.31Å; L73-N78 WeakPolarHBondContact O-CA 3.45Å; L73-N78 PolarHBondContact O-N 3.37Å; Y76-N78 PolarHBondContact O-N 2.88Å; N78-K80 PolarHBondContact O-N 3Å; N78-K80 VanDerWaalsContact O-N 3.11Å
79V95.2Very high94.4Very high61 Ų6189 Ų8937%0.3745%0.445SS..  trans-64.7111.4171.8174.30000109.4W71 L73 Y76 E77 V82W71-V79 PolarHBondContact NE1-O 3.13Å; L73-V79 WeakPolarHBondContact CD2-O 3.45Å; Y76-V79 WeakPolarHBondContact O-CB 3.44Å; Y76-V79 VanDerWaalsContact O-CG2 3.23Å; Y76-V79 WeakPolarHBondContact O-CG2 3.5Å; Y76-V79 PolarHBondContact O-N 3.4Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 2.82Å; V79-V82 HydrophobicContact CG1-CG1 3.68Å
80K95.9Very high94.3Very high139 Ų13991.9 Ų91.960%0.60445%0.454SS*.  trans-87.7-29.6-177.3-65.6-177.5-179.2179.60114.3L73 N78 W116 S117L73-K80 HydrophobicContact CD1-CG 4.41Å; L73-K80 HydrophobicContact CD2-CB 4.37Å; L73-K80 HydrophobicContact CD2-CG 3.81Å; N78-K80 PolarHBondContact O-N 3Å; N78-K80 VanDerWaalsContact O-N 3.11Å; K80-W116 CarbonylContact O-C 3.47Å; K80-W116 WeakPolarHBondContact O-CA 3.43Å; K80-S117 PolarHBondContact O-N 3.04Å
81V96.5Very high94Very high70 Ų7091.1 Ų91.142%0.42444%0.443SS..EExtended strand (participates in β ladder)trans-146.3138.2-173.664.60000109.8K114 V115 W116V81-K114 HydrophobicContact CG2-CB 4.38Å; V81-V115 CarbonylContact C-O 3.54Å; V81-V115 VanDerWaalsContact CA-O 3.27Å; V81-V115 WeakPolarHBondContact CA-O 3.34Å; V81-V115 WeakPolarHBondContact CG2-O 3.07Å; V81-W116 HydrophobicContact CG2-CD2 4.24Å; V81-W116 HydrophobicContact CG2-CG 4.44Å
82V96.4Very high93.7Very high54 Ų5489.2 Ų89.233%0.32744%0.437SS..EExtended strand (participates in β ladder)trans-125.1153.6172.7-62.40000109.4W71 V79 V84 K114 V115W71-V82 HydrophobicContact CH2-CG1 4.46Å; W71-V82 HydrophobicContact CH2-CG2 3.88Å; W71-V82 HydrophobicContact CZ2-CG1 4.39Å; W71-V82 HydrophobicContact CZ3-CG2 4.4Å; V79-V82 HydrophobicContact CG1-CG1 3.68Å; V82-V84 HydrophobicContact CG2-CG2 4.01Å; V82-K114 WeakPolarHBondContact O-CA 3.31Å; V82-V115 HydrophobicContact CG2-CB 3.99Å; V82-V115 PolarHBondContact N-O 2.79Å; V82-V115 PolarHBondContact O-N 3.22Å
83T96Very high93.4Very high89 Ų8987.2 Ų87.255%0.54643%0.43SS..EExtended strand (participates in β ladder)trans-111.1120.8170.8-57.70000108.5P112 V113T83-P112 HydrophobicContact CG2-CB 3.85Å; T83-V113 CarbonylContact C-O 3.53Å; T83-V113 VanDerWaalsContact CA-O 3.31Å; T83-V113 WeakPolarHBondContact CA-O 3.2Å
84V94.1Very high93.1Very high41 Ų4185.8 Ų85.825%0.24842%0.422CS..EExtended strand (participates in β ladder)trans-121.7151.3-178.7-1760000108.2V82 L89 V113V82-V84 HydrophobicContact CG2-CG2 4.01Å; V84-L89 HydrophobicContact CB-CD1 3.67Å; V84-L89 HydrophobicContact CB-CG 4.18Å; V84-L89 HydrophobicContact CG1-CD1 3.88Å; V84-L89 HydrophobicContact CG1-CG 3.81Å; V84-L89 HydrophobicContact CG2-CD1 4.4Å; V84-V113 PolarHBondContact N-O 3.22Å; V84-V113 WeakPolarHBondContact O-CA 3.37Å; V84-V113 WeakPolarHBondContact O-CB 3.22Å; V84-V113 PolarHBondContact O-N 2.98Å
85Q93.5Very high92.7Very high74 Ų7481.6 Ų81.635%0.34640%0.4SS..EExtended strand (participates in β ladder)trans-81.6139.2175.8-56.8-62.5-22.300110.3P87 Y88 A110Q85-P87 VanDerWaalsContact C-N 3.29Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å; Q85-P87 VanDerWaalsContact O-N 3.1Å; Q85-Y88 HydrophobicContact CB-CD2 3.91Å; Q85-Y88 HydrophobicContact CB-CE2 4.18Å; Q85-Y88 PolarHBondContact O-N 3.08Å; Q85-A110 PolarHBondContact OE1-O 3.19Å
86S91.8Very high92.4Very high13 Ų1376.4 Ų76.49%0.09137%0.372CS..G310 helixtrans-48.7-32.5-179.141.80000116.4Y88 L89 V111S86-Y88 PolarHBondContact O-N 3.08Å; S86-L89 PolarHBondContact O-N 2.98Å; S86-V111 PolarHBondContact N-O 3.03Å; S86-V111 PolarHBondContact OG-N 3.13Å; S86-V111 PolarHBondContact OG-O 3.28Å; S86-V111 VanDerWaalsContact OG-O 3.13Å
87P91Very high92Very high91 Ų9170.3 Ų70.359%0.59135%0.349SS*.G310 helixtrans-66.1-18.2176.5-23.835.7000114.7Q85 A110Q85-P87 VanDerWaalsContact C-N 3.29Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å; Q85-P87 VanDerWaalsContact O-N 3.1Å; P87-A110 HydrophobicContact CG-CB 4.39Å
88Y91.2Very high91.6Very high187 Ų18761.6 Ų61.673%0.73331%0.309SS*.G310 helixtrans-98.52179.5-56.2-67.8000113.1Q85 S86Q85-Y88 HydrophobicContact CB-CD2 3.91Å; Q85-Y88 HydrophobicContact CB-CE2 4.18Å; Q85-Y88 PolarHBondContact O-N 3.08Å; S86-Y88 PolarHBondContact O-N 3.08Å
89L91.3Very high91.2Very high37 Ų3757.2 Ų57.219%0.19429%0.286CS..SBendtrans-126.8152.2177.6-72.6172.4000109.6V84 S86 V113 V115V84-L89 HydrophobicContact CB-CD1 3.67Å; V84-L89 HydrophobicContact CB-CG 4.18Å; V84-L89 HydrophobicContact CG1-CD1 3.88Å; V84-L89 HydrophobicContact CG1-CG 3.81Å; V84-L89 HydrophobicContact CG2-CD1 4.4Å; S86-L89 PolarHBondContact O-N 2.98Å; L89-V113 HydrophobicContact CD1-CB 3.96Å; L89-V113 HydrophobicContact CD1-CG1 3.79Å; L89-V115 HydrophobicContact CD1-CG2 3.7Å
90W91.7Very high90.5Very high107 Ų10757.6 Ų57.641%0.40529%0.288SS..  trans-67.5137.1166.417287.4000109.3W64 P92 D157 V161W64-W90 AromaticContact CD1-CZ3 3.83Å; W64-W90 WeakPolarHBondContact CZ2-O 3.4Å; W64-W90 AromaticContact NE1-CE3 3.88Å; W64-W90 AromaticContact NE1-CZ3 3.64Å; W90-P92 HydrophobicContact CH2-CB 3.78Å; W90-P92 HydrophobicContact CH2-CG 4.49Å; W90-P92 HydrophobicContact CZ2-CB 4.09Å; W90-P92 HydrophobicContact CZ3-CB 4.41Å; W90-D157 WeakPolarHBondContact CZ2-OD1 3.38Å; W90-D157 PolarHBondContact NE1-OD1 3.03Å; W90-V161 HydrophobicContact CH2-CG2 3.66Å; W90-V161 HydrophobicContact CZ2-CG2 3.79Å
91M89.9Confident89.7Confident26 Ų2655.1 Ų55.113%0.12828%0.282CS..  trans-126.3132.6177.3-63.4-73.6-61.600107.5W64 Q93 Y107 V113 T123W64-M91 HydrophobicContact CH2-CE 4.18Å; W64-M91 HydrophobicContact CH2-SD 3.61Å; W64-M91 HydrophobicContact CZ2-SD 4.2Å; M91-Q93 PolarHBondContact O-N 2.04Å; M91-Y107 HydrophobicContact CB-CD2 4.33Å; M91-Y107 HydrophobicContact CB-CE2 4.25Å; M91-Y107 HydrophobicContact CE-CD2 4.02Å; M91-Y107 HydrophobicContact CE-CE2 4.41Å; M91-Y107 HydrophobicContact CE-CG 4.14Å; M91-V113 HydrophobicContact SD-CG2 3.94Å; M91-T123 HydrophobicContact CE-CG2 3.86Å
92P89.4Confident88.5Confident7 Ų758 Ų585%0.04530%0.295CS..  trans-63.2130.1-177.824.8-33.5000110.6W90 L94 Y107W90-P92 HydrophobicContact CH2-CB 3.78Å; W90-P92 HydrophobicContact CH2-CG 4.49Å; W90-P92 HydrophobicContact CZ2-CB 4.09Å; W90-P92 HydrophobicContact CZ3-CB 4.41Å; P92-L94 HydrophobicContact CB-CD2 4.45Å; P92-L94 PolarHBondContact O-N 2.77Å; P92-Y107 WeakPolarHBondContact O-CE2 3.26Å; P92-Y107 VanDerWaalsContact O-CZ 3.28Å; P92-Y107 PolarHBondContact O-OH 3.27Å
93Q88.6Confident87.7Confident99 Ų9955.6 Ų55.646%0.46328%0.281SS..  trans-79.9106.6174-62.4-165.7-4200109.3M91 P153 T154 D157M91-Q93 PolarHBondContact O-N 2.04Å; Q93-P153 CarbonylContact O-C 3.55Å; Q93-P153 WeakPolarHBondContact O-CA 3.29Å; Q93-T154 HydrophobicContact CB-CG2 3.78Å; Q93-T154 PolarHBondContact O-N 2.94Å; Q93-D157 WeakPolarHBondContact CB-OD2 3.38Å; Q93-D157 PolarHBondContact N-OD2 3.22Å
94L88.7Confident87.1Confident15 Ų1554.8 Ų54.88%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-106.8141.1178.6-58.8-179.9000110.7P92 I105 Y107 L163P92-L94 HydrophobicContact CB-CD2 4.45Å; P92-L94 PolarHBondContact O-N 2.77Å; L94-I105 HydrophobicContact CB-CB 4.38Å; L94-I105 HydrophobicContact CB-CD1 3.51Å; L94-I105 HydrophobicContact CB-CG1 4.28Å; L94-I105 HydrophobicContact CD1-CD1 4.31Å; L94-I105 WeakPolarHBondContact O-CB 3.28Å; L94-I105 PolarHBondContact O-N 2.99Å; L94-Y107 WeakPolarHBondContact CD1-OH 3.33Å; L94-Y107 VanDerWaalsContact CG-OH 3.29Å; L94-Y107 WeakPolarHBondContact CG-OH 3.48Å; L94-L163 HydrophobicContact CD2-CD1 4.3Å; L94-L163 HydrophobicContact CD2-CD2 3.81Å
95R87.7Confident86.6Confident60 Ų6053.6 Ų53.623%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-124.9145.5179.8-178.3173.5-84.8175.5-4110.5S103 L151 A152 T154R95-S103 CarbonylContact C-O 3.53Å; R95-S103 VanDerWaalsContact CA-O 3.26Å; R95-S103 WeakPolarHBondContact CA-O 3.21Å; R95-S103 VanDerWaalsContact CD-OG 3.26Å; R95-S103 WeakPolarHBondContact CD-OG 3.46Å; R95-S103 VanDerWaalsContact CG-CB 3.48Å; R95-S103 VanDerWaalsContact CG-OG 3.28Å; R95-S103 WeakPolarHBondContact CG-OG 3.4Å; R95-S103 PolarHBondContact NE-OG 3.42Å; R95-S103 VanDerWaalsContact NE-OG 3.12Å; R95-L151 WeakPolarHBondContact O-CA 2.94Å; R95-A152 PolarHBondContact N-O 2.97Å; R95-A152 PolarHBondContact O-N 2.93Å; R95-T154 HydrophobicContact CB-CG2 4.05Å
96I88.9Confident86.2Confident4 Ų454.3 Ų54.32%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-100.1105.5177.1-54.2-179.5000108.4N98 S99 S103 I105 V129 T131 I149 L150 L151I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 2.88Å; I96-S99 WeakPolarHBondContact O-CB 3.26Å; I96-S99 PolarHBondContact O-N 2.85Å; I96-S103 PolarHBondContact N-O 2.81Å; I96-S103 WeakPolarHBondContact O-CB 3.26Å; I96-I105 HydrophobicContact CD1-CG1 4.07Å; I96-I105 HydrophobicContact CG1-CD1 4.25Å; I96-I105 HydrophobicContact CG1-CG1 4Å; I96-V129 HydrophobicContact CD1-CB 3.78Å; I96-V129 HydrophobicContact CD1-CG1 3.41Å; I96-V129 VanDerWaalsContact CD1-CG1 3.41Å; I96-V129 HydrophobicContact CD1-CG2 3.37Å; I96-V129 HydrophobicContact CG2-CG1 4.31Å; I96-T131 HydrophobicContact CG2-CG2 3.48Å; I96-T131 VanDerWaalsContact CG2-CG2 3.48Å; I96-I149 HydrophobicContact CG2-CG2 4.11Å; I96-L150 CarbonylContact C-O 3.6Å; I96-L150 VanDerWaalsContact CA-O 3.27Å; I96-L150 WeakPolarHBondContact CA-O 3.47Å; I96-L151 HydrophobicContact CG1-CD2 3.94Å
97L85.3Confident85.8Confident11 Ų1154.9 Ų54.96%0.05828%0.278CS..THydrogen-bonded Turntrans-64.6-37.6-171.7-59.2-177.7000112.1S99 L150 A152 W210 V224L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3Å; L97-L150 HydrophobicContact CB-CB 3.94Å; L97-L150 HydrophobicContact CB-CD1 4.48Å; L97-L150 HydrophobicContact CG-CB 4.42Å; L97-L150 PolarHBondContact N-O 3.05Å; L97-A152 HydrophobicContact CD1-CB 4Å; L97-A152 HydrophobicContact CD2-CB 3.99Å; L97-A152 HydrophobicContact CG-CB 3.99Å; L97-W210 VanDerWaalsContact O-CD2 3.27Å; L97-V224 HydrophobicContact CD1-CG1 4.26Å; L97-V224 HydrophobicContact CD1-CG2 3.52Å
98N86.1Confident85.5Confident4 Ų452.5 Ų52.52%0.02127%0.27CS..THydrogen-bonded Turntrans-94.132.9179.370.3-45.4000114.1I96 T131 D132 P148 L150 W210I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 2.88Å; N98-T131 VanDerWaalsContact O-CA 3.3Å; N98-T131 WeakPolarHBondContact O-CA 3.28Å; N98-T131 WeakPolarHBondContact OD1-CG2 3.48Å; N98-D132 PolarHBondContact ND2-O 2.87Å; N98-D132 PolarHBondContact O-N 2.98Å; N98-P148 PolarHBondContact ND2-O 3.41Å; N98-L150 HydrophobicContact CB-CD1 4.18Å; N98-L150 HydrophobicContact CB-CG 4.36Å; N98-L150 PolarHBondContact OD1-N 2.98Å; N98-W210 HydrophobicContact CB-CH2 3.59Å; N98-W210 HydrophobicContact CB-CZ2 3.58Å; N98-W210 HydrophobicContact CB-CZ3 4.21Å
99S85.6Confident85.1Confident13 Ų1350.5 Ų50.59%0.09128%0.277CS..BIsolated β-bridgetrans-74.9141.7177.5-167.40000111.9I96 L97 N101 D102 S130I96-S99 WeakPolarHBondContact O-CB 3.26Å; I96-S99 PolarHBondContact O-N 2.85Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3Å; S99-N101 WeakPolarHBondContact CB-O 3.38Å; S99-N101 PolarHBondContact OG-N 2.79Å; S99-N101 PolarHBondContact OG-O 2.68Å; S99-D102 PolarHBondContact OG-O 2.95Å; S99-D102 VanDerWaalsContact OG-O 3.08Å; S99-S130 CarbonylContact C-O 3.55Å; S99-S130 VanDerWaalsContact CA-O 3.29Å; S99-S130 WeakPolarHBondContact CA-O 3.27Å; S99-S130 PolarHBondContact OG-O 2.89Å; S99-S130 VanDerWaalsContact OG-O 3.13Å
100V80.8Confident84.9Confident68 Ų6850.9 Ų50.941%0.41229%0.285SS..SBendtrans-82.8-24.7170.2179.70000111.3K53 S130 D132K53-V100 HydrophobicContact CD-CB 4.32Å; K53-V100 HydrophobicContact CD-CG1 3.87Å; K53-V100 HydrophobicContact CG-CB 4.2Å; K53-V100 HydrophobicContact CG-CG1 4.18Å; K53-V100 HydrophobicContact CG-CG2 4.11Å; V100-S130 PolarHBondContact N-O 3.31Å; V100-D132 HydrophobicContact CG2-CB 3.75Å
101N78.8Confident84.9Confident88 Ų8846.6 Ų46.647%0.47127%0.271SS..SBendtrans-117.9-162.7-179.4-7815.3000109.5K53 S99 S103K53-N101 WeakPolarHBondContact CE-OD1 3.46Å; K53-N101 PolarHBondContact NZ-ND2 3.04Å; K53-N101 PolarHBondContact NZ-OD1 2.72Å; S99-N101 WeakPolarHBondContact CB-O 3.38Å; S99-N101 PolarHBondContact OG-N 2.79Å; S99-N101 PolarHBondContact OG-O 2.68Å; N101-S103 PolarHBondContact O-N 2.78Å
102D72.4Confident85.1Confident129 Ų12948.9 Ų48.969%0.6929%0.288SS*.  trans-43.6129.2167.2-168.7-3.4000110.1S99 L104S99-D102 PolarHBondContact OG-O 2.95Å; S99-D102 VanDerWaalsContact OG-O 3.08Å; D102-L104 PolarHBondContact OD1-N 3.48Å; D102-L104 VanDerWaalsContact OD1-N 3.08Å
103S78.8Confident85.3Confident5 Ų548.5 Ų48.54%0.03529%0.285CS..  trans-94.5-14.7-171.953.70000111.6R95 I96 N101R95-S103 CarbonylContact C-O 3.53Å; R95-S103 VanDerWaalsContact CA-O 3.26Å; R95-S103 WeakPolarHBondContact CA-O 3.21Å; R95-S103 VanDerWaalsContact CD-OG 3.26Å; R95-S103 WeakPolarHBondContact CD-OG 3.46Å; R95-S103 VanDerWaalsContact CG-CB 3.48Å; R95-S103 VanDerWaalsContact CG-OG 3.28Å; R95-S103 WeakPolarHBondContact CG-OG 3.4Å; R95-S103 PolarHBondContact NE-OG 3.42Å; R95-S103 VanDerWaalsContact NE-OG 3.12Å; I96-S103 PolarHBondContact N-O 2.81Å; I96-S103 WeakPolarHBondContact O-CB 3.26Å; N101-S103 PolarHBondContact O-N 2.78Å
104L83.2Confident85.7Confident72 Ų7248.6 Ų48.638%0.37728%0.284SS..BIsolated β-bridgetrans-73.7130.6-179.5-166.371.7000111D102 S106 T154D102-L104 PolarHBondContact OD1-N 3.48Å; D102-L104 VanDerWaalsContact OD1-N 3.08Å; L104-S106 PolarHBondContact O-N 3.34Å; L104-T154 HydrophobicContact CD1-CG2 3.63Å
105I84.4Confident86.1Confident16 Ų1648 Ų488%0.08228%0.281CS..PPolyproline II helixtrans-70.2120.3174.4-69.4171.7000109.2L94 I96 Y107 V127 L151L94-I105 HydrophobicContact CB-CB 4.38Å; L94-I105 HydrophobicContact CB-CD1 3.51Å; L94-I105 HydrophobicContact CB-CG1 4.28Å; L94-I105 HydrophobicContact CD1-CD1 4.31Å; L94-I105 WeakPolarHBondContact O-CB 3.28Å; L94-I105 PolarHBondContact O-N 2.99Å; I96-I105 HydrophobicContact CD1-CG1 4.07Å; I96-I105 HydrophobicContact CG1-CD1 4.25Å; I96-I105 HydrophobicContact CG1-CG1 4Å; I105-Y107 HydrophobicContact CB-CE1 4.41Å; I105-Y107 HydrophobicContact CG2-CD1 3.73Å; I105-Y107 HydrophobicContact CG2-CE1 3.43Å; I105-Y107 VanDerWaalsContact CG2-CE1 3.43Å; I105-Y107 HydrophobicContact CG2-CG 4.48Å; I105-V127 HydrophobicContact CG1-CG1 4.37Å; I105-V127 HydrophobicContact CG2-CB 4.48Å; I105-V127 HydrophobicContact CG2-CG1 3.77Å; I105-V127 HydrophobicContact CG2-CG2 3.86Å; I105-L151 HydrophobicContact CD1-CD2 3.29Å; I105-L151 HydrophobicContact CG1-CD2 4.45Å
106S84.4Confident86.5Confident88 Ų8850 Ų5062%0.61529%0.289SS*.PPolyproline II helixtrans-90.4118166.3-176.40000109.2L104 G108L104-S106 PolarHBondContact O-N 3.34Å; S106-G108 VanDerWaalsContact C-N 3.29Å
107Y84.3Confident86.9Confident26 Ų2650.9 Ų50.910%0.10230%0.295CS..  trans-77.9-15.7176-60.1-58.7000113I62 M91 P92 L94 I105 V111 P125 V127I62-Y107 HydrophobicContact CD1-CD1 3.96Å; I62-Y107 HydrophobicContact CD1-CE1 3.33Å; M91-Y107 HydrophobicContact CB-CD2 4.33Å; M91-Y107 HydrophobicContact CB-CE2 4.25Å; M91-Y107 HydrophobicContact CE-CD2 4.02Å; M91-Y107 HydrophobicContact CE-CE2 4.41Å; M91-Y107 HydrophobicContact CE-CG 4.14Å; P92-Y107 WeakPolarHBondContact O-CE2 3.26Å; P92-Y107 VanDerWaalsContact O-CZ 3.28Å; P92-Y107 PolarHBondContact O-OH 3.27Å; L94-Y107 WeakPolarHBondContact CD1-OH 3.33Å; L94-Y107 VanDerWaalsContact CG-OH 3.29Å; L94-Y107 WeakPolarHBondContact CG-OH 3.48Å; I105-Y107 HydrophobicContact CB-CE1 4.41Å; I105-Y107 HydrophobicContact CG2-CD1 3.73Å; I105-Y107 HydrophobicContact CG2-CE1 3.43Å; I105-Y107 VanDerWaalsContact CG2-CE1 3.43Å; I105-Y107 HydrophobicContact CG2-CG 4.48Å; Y107-V111 WeakPolarHBondContact O-CG2 3.32Å; Y107-P125 HydrophobicContact CD1-CB 3.99Å; Y107-P125 HydrophobicContact CD1-CG 3.57Å; Y107-P125 HydrophobicContact CE1-CG 4.36Å; Y107-P125 HydrophobicContact CG-CB 4.41Å; Y107-P125 HydrophobicContact CG-CG 4.35Å; Y107-P125 WeakPolarHBondContact O-CB 3.17Å; Y107-V127 HydrophobicContact CD1-CG2 4.42Å
108G83Confident87.4Confident41 Ų4152.9 Ų52.942%0.42331%0.314SS..  trans98.2171.1-169.800000112.9S106S106-G108 VanDerWaalsContact C-N 3.29Å
109V83.5Confident87.8Confident144 Ų14452.7 Ų52.787%0.87331%0.313SS*.SBendtrans-89.5127.1-178.6-177.70000109.3V111V109-V111 PolarHBondContact O-N 2.89Å
110A88Confident88.2Confident45 Ų4558 Ų5837%0.37233%0.332SS..SBendtrans52.751.5174.800000113.6Q85 P87Q85-A110 PolarHBondContact OE1-O 3.19Å; P87-A110 HydrophobicContact CG-CB 4.39Å
111V90.8Very high88.9Confident17 Ų1754.8 Ų54.810%0.10331%0.312CS..  trans-68.4134.2169.8-174.90000109.6S86 Y107 V109 T123 P125S86-V111 PolarHBondContact N-O 3.03Å; S86-V111 PolarHBondContact OG-N 3.13Å; S86-V111 PolarHBondContact OG-O 3.28Å; S86-V111 VanDerWaalsContact OG-O 3.13Å; Y107-V111 WeakPolarHBondContact O-CG2 3.32Å; V109-V111 PolarHBondContact O-N 2.89Å; V111-T123 WeakPolarHBondContact CG1-OG1 3.05Å; V111-P125 HydrophobicContact CG1-CB 4.24Å; V111-P125 HydrophobicContact CG2-CB 4.26Å
112P93.3Very high89.6Confident74 Ų7453.4 Ų53.448%0.48130%0.301SS..EExtended strand (participates in β ladder)trans-68.8132.6172.728.4-34.3000110.9T83 T123T83-P112 HydrophobicContact CG2-CB 3.85Å; P112-T123 PolarHBondContact O-OG1 3.04Å
113V95.2Very high90.6Very high0 Ų047.3 Ų47.30%027%0.268CS..EExtended strand (participates in β ladder)trans-121.5125.8-179.3-178.20000108W64 T83 V84 L89 M91 V115 V121W64-V113 HydrophobicContact CH2-CG1 4.18Å; T83-V113 CarbonylContact C-O 3.53Å; T83-V113 VanDerWaalsContact CA-O 3.31Å; T83-V113 WeakPolarHBondContact CA-O 3.2Å; V84-V113 PolarHBondContact N-O 3.22Å; V84-V113 WeakPolarHBondContact O-CA 3.37Å; V84-V113 WeakPolarHBondContact O-CB 3.22Å; V84-V113 PolarHBondContact O-N 2.98Å; L89-V113 HydrophobicContact CD1-CB 3.96Å; L89-V113 HydrophobicContact CD1-CG1 3.79Å; M91-V113 HydrophobicContact SD-CG2 3.94Å; V113-V115 HydrophobicContact CG1-CG2 4.37Å; V113-V121 HydrophobicContact CG1-CG1 3.12Å
114K96.4Very high91.2Very high100 Ų10049.6 Ų49.644%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-90.5127.9174.2-67.4-177.9179.91790108.9V81 V82 W116 V121 Y122V81-K114 HydrophobicContact CG2-CB 4.38Å; V82-K114 WeakPolarHBondContact O-CA 3.31Å; K114-W116 HydrophobicContact CB-CE3 4.35Å; K114-W116 HydrophobicContact CB-CH2 3.69Å; K114-W116 HydrophobicContact CB-CZ2 4.49Å; K114-W116 HydrophobicContact CB-CZ3 3.6Å; K114-W116 HydrophobicContact CD-CH2 4.16Å; K114-W116 WeakPolarHBondContact O-CZ3 3.24Å; K114-V121 CarbonylContact O-C 3.51Å; K114-V121 WeakPolarHBondContact O-CA 3.37Å; K114-Y122 HydrophobicContact CD-CD1 4.37Å; K114-Y122 PolarHBondContact N-O 3.04Å; K114-Y122 PolarHBondContact O-N 3.16Å
115V96.9Very high91.5Very high4 Ų446.2 Ų46.22%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-117.9127.8175.7-172.10000107.8I69 W71 V81 V82 L89 V113 Y120 V121I69-V115 HydrophobicContact CD1-CG1 3.79Å; I69-V115 HydrophobicContact CD1-CG2 4.47Å; I69-V115 HydrophobicContact CG1-CG1 4.21Å; W71-V115 HydrophobicContact CH2-CB 4.48Å; W71-V115 HydrophobicContact CH2-CG1 4.21Å; W71-V115 WeakPolarHBondContact CH2-O 3.29Å; W71-V115 HydrophobicContact CZ3-CB 4.42Å; W71-V115 HydrophobicContact CZ3-CG1 3.74Å; V81-V115 CarbonylContact C-O 3.54Å; V81-V115 VanDerWaalsContact CA-O 3.27Å; V81-V115 WeakPolarHBondContact CA-O 3.34Å; V81-V115 WeakPolarHBondContact CG2-O 3.07Å; V82-V115 HydrophobicContact CG2-CB 3.99Å; V82-V115 PolarHBondContact N-O 2.79Å; V82-V115 PolarHBondContact O-N 3.22Å; L89-V115 HydrophobicContact CD1-CG2 3.7Å; V113-V115 HydrophobicContact CG1-CG2 4.37Å; V115-Y120 WeakPolarHBondContact CA-O 3.29Å; V115-V121 HydrophobicContact CG1-CG2 4.37Å; V115-V121 HydrophobicContact CG2-CG1 4.21Å; V115-V121 HydrophobicContact CG2-CG2 4.47Å
116W97.1Very high91.6Very high102 Ų10250 Ų5039%0.38628%0.283SS..EExtended strand (participates in β ladder)trans-95.1151.6174.1-73.5-105.4000110W71 K80 V81 K114 A118 G119 Y120 Y122W71-W116 VanDerWaalsContact CH2-C 3.47Å; K80-W116 CarbonylContact O-C 3.47Å; K80-W116 WeakPolarHBondContact O-CA 3.43Å; V81-W116 HydrophobicContact CG2-CD2 4.24Å; V81-W116 HydrophobicContact CG2-CG 4.44Å; K114-W116 HydrophobicContact CB-CE3 4.35Å; K114-W116 HydrophobicContact CB-CH2 3.69Å; K114-W116 HydrophobicContact CB-CZ2 4.49Å; K114-W116 HydrophobicContact CB-CZ3 3.6Å; K114-W116 HydrophobicContact CD-CH2 4.16Å; K114-W116 WeakPolarHBondContact O-CZ3 3.24Å; W116-A118 PolarHBondContact O-N 3.13Å; W116-G119 PolarHBondContact O-N 2.97Å; W116-Y120 PolarHBondContact N-O 3.22Å; W116-Y122 VanDerWaalsContact CH2-CB 3.47Å; W116-Y122 HydrophobicContact CH2-CG 4.14Å; W116-Y122 HydrophobicContact CZ3-CG 4.41Å
117S96.2Very high91.7Very high22 Ų2246 Ų4615%0.15426%0.255CS..THydrogen-bonded Turntrans-55.5-29.4-178660000113.9A70 W71 L73 K80 G119A70-S117 WeakPolarHBondContact CA-O 3.4Å; W71-S117 VanDerWaalsContact CE2-CA 3.44Å; W71-S117 VanDerWaalsContact CE2-CB 3.42Å; W71-S117 VanDerWaalsContact CZ2-CA 3.42Å; W71-S117 PolarHBondContact N-O 2.94Å; W71-S117 VanDerWaalsContact O-O 3.06Å; L73-S117 WeakPolarHBondContact CD2-OG 3.14Å; K80-S117 PolarHBondContact O-N 3.04Å; S117-G119 PolarHBondContact O-N 3.48Å
118A95.8Very high91.7Very high53 Ų5350.4 Ų50.444%0.43828%0.278SS..THydrogen-bonded Turntrans-69.8-9.4176.100000114.2Y65 W116 Y120Y65-A118 WeakPolarHBondContact CE2-O 3.41Å; W116-A118 PolarHBondContact O-N 3.13Å; A118-Y120 HydrophobicContact CB-CD2 3.9Å; A118-Y120 HydrophobicContact CB-CE2 4.17Å
119G94Very high91.8Very high0 Ų048.7 Ų48.70%026%0.259CS..SBendtrans97.62.2-177.100000114.6D66 W116 S117D66-G119 PolarHBondContact N-O 3.04Å; D66-G119 WeakPolarHBondContact O-CA 3.3Å; W116-G119 PolarHBondContact O-N 2.97Å; S117-G119 PolarHBondContact O-N 3.48Å
120Y95.1Very high91.9Very high125 Ų12542.4 Ų42.449%0.4922%0.222SC..EExtended strand (participates in β ladder)trans-74.1141172.6-68.8-78.7000110.6Y65 V115 W116 A118Y65-Y120 HydrophobicContact CD2-CD1 4.07Å; Y65-Y120 HydrophobicContact CD2-CD2 4.39Å; Y65-Y120 AromaticContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE2 4.26Å; Y65-Y120 HydrophobicContact CD2-CG 4.3Å; V115-Y120 WeakPolarHBondContact CA-O 3.29Å; W116-Y120 PolarHBondContact N-O 3.22Å; A118-Y120 HydrophobicContact CB-CD2 3.9Å; A118-Y120 HydrophobicContact CB-CE2 4.17Å
121V95Very high91.8Very high0 Ų040.2 Ų40.20%020%0.204CC..EExtended strand (participates in β ladder)trans-126.4137.2179.4-167.10000109.6V63 W64 I69 V113 K114 V115V63-V121 VanDerWaalsContact CA-O 3.29Å; V63-V121 WeakPolarHBondContact CA-O 3.31Å; W64-V121 HydrophobicContact CD2-CB 3.71Å; W64-V121 HydrophobicContact CD2-CG1 4.18Å; W64-V121 HydrophobicContact CD2-CG2 4.34Å; W64-V121 VanDerWaalsContact CE2-CB 3.49Å; W64-V121 HydrophobicContact CE3-CB 4Å; W64-V121 HydrophobicContact CE3-CG1 4.18Å; W64-V121 HydrophobicContact CG-CB 4.32Å; W64-V121 HydrophobicContact CH2-CB 3.95Å; W64-V121 HydrophobicContact CH2-CG1 3.28Å; W64-V121 HydrophobicContact CZ2-CB 3.65Å; W64-V121 HydrophobicContact CZ2-CG1 3.26Å; W64-V121 HydrophobicContact CZ2-CG2 4.07Å; W64-V121 HydrophobicContact CZ3-CB 4.11Å; W64-V121 HydrophobicContact CZ3-CG1 3.75Å; W64-V121 PolarHBondContact N-O 2.83Å; W64-V121 VanDerWaalsContact N-O 3.12Å; W64-V121 PolarHBondContact O-N 3.17Å; I69-V121 HydrophobicContact CD1-CG2 3.46Å; I69-V121 VanDerWaalsContact CD1-CG2 3.46Å; V113-V121 HydrophobicContact CG1-CG1 3.12Å; K114-V121 CarbonylContact O-C 3.51Å; K114-V121 WeakPolarHBondContact O-CA 3.37Å; V115-V121 HydrophobicContact CG1-CG2 4.37Å; V115-V121 HydrophobicContact CG2-CG1 4.21Å; V115-V121 HydrophobicContact CG2-CG2 4.47Å
122Y94.1Very high91.4Very high59 Ų5941.7 Ų41.723%0.23121%0.211CC..EExtended strand (participates in β ladder)trans-130.9137.3177.4171.1-89000110E61 I62 V63 K114 W116E61-Y122 HydrophobicContact CB-CE2 4.29Å; E61-Y122 HydrophobicContact CG-CE2 4.32Å; I62-Y122 WeakPolarHBondContact O-CA 3.42Å; V63-Y122 HydrophobicContact CG2-CD2 3.8Å; K114-Y122 HydrophobicContact CD-CD1 4.37Å; K114-Y122 PolarHBondContact N-O 3.04Å; K114-Y122 PolarHBondContact O-N 3.16Å; W116-Y122 VanDerWaalsContact CH2-CB 3.47Å; W116-Y122 HydrophobicContact CH2-CG 4.14Å; W116-Y122 HydrophobicContact CZ3-CG 4.41Å
123T92.5Very high91.1Very high1 Ų138.2 Ų38.21%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-146.7152.5170.1-170.40000109.9I62 W64 M91 V111 P112 P125I62-T123 HydrophobicContact CB-CG2 3.93Å; I62-T123 PolarHBondContact N-O 3.12Å; I62-T123 PolarHBondContact O-N 2.99Å; W64-T123 HydrophobicContact CH2-CG2 4.23Å; W64-T123 HydrophobicContact CZ3-CG2 3.72Å; M91-T123 HydrophobicContact CE-CG2 3.86Å; V111-T123 WeakPolarHBondContact CG1-OG1 3.05Å; P112-T123 PolarHBondContact O-OG1 3.04Å; T123-P125 HydrophobicContact CG2-CG 4.4Å
124S91Very high90.4Very high52 Ų5241.8 Ų41.836%0.36421%0.214SC..  trans-127.863.6178.863.90000111.2A60A60-S124 CarbonylContact O-C 3.55Å; A60-S124 VanDerWaalsContact O-CA 3.24Å; A60-S124 WeakPolarHBondContact O-CA 3.1Å
125P90.4Very high89.5Confident1 Ų138.5 Ų38.51%0.00620%0.2CC..  trans-67.8154.2-178.927.2-36.4000111.8I59 A60 I62 Y107 V111 T123 V127I59-P125 WeakPolarHBondContact CA-O 3.39Å; A60-P125 PolarHBondContact N-O 2.9Å; A60-P125 VanDerWaalsContact O-CD 3.22Å; A60-P125 WeakPolarHBondContact O-CD 3.41Å; I62-P125 HydrophobicContact CD1-CG 3.89Å; Y107-P125 HydrophobicContact CD1-CB 3.99Å; Y107-P125 HydrophobicContact CD1-CG 3.57Å; Y107-P125 HydrophobicContact CE1-CG 4.36Å; Y107-P125 HydrophobicContact CG-CB 4.41Å; Y107-P125 HydrophobicContact CG-CG 4.35Å; Y107-P125 WeakPolarHBondContact O-CB 3.17Å; V111-P125 HydrophobicContact CG1-CB 4.24Å; V111-P125 HydrophobicContact CG2-CB 4.26Å; T123-P125 HydrophobicContact CG2-CG 4.4Å; P125-V127 HydrophobicContact CB-CG2 4.41Å; P125-V127 HydrophobicContact CG-CG2 4.21Å
126E87.3Confident88.6Confident95 Ų9543.6 Ų43.644%0.44422%0.224SC..EExtended strand (participates in β ladder)trans-83.1119.5166.6-176.5170.8-142.800109.4R57 H58R57-E126 HydrophobicContact CG-CG 4.2Å; R57-E126 IonicContact CZ-OE1 3.34Å; R57-E126 IonicContact CZ-OE2 2.71Å; R57-E126 IonicContact NE-OE1 3.9Å; R57-E126 PolarHBondContact NE-OE1 2.99Å; R57-E126 IonicContact NE-OE2 2.72Å; R57-E126 IonicContact NH2-OE1 3.12Å; R57-E126 PolarHBondContact NH2-OE1 3.17Å; R57-E126 IonicContact NH2-OE2 2.68Å; R57-E126 PolarHBondContact NH2-OE2 3.39Å; H58-E126 CarbonylContact O-C 3.54Å; H58-E126 WeakPolarHBondContact O-CA 3.4Å
127V85.8Confident87.7Confident4 Ų438.9 Ų38.92%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-116.1133-176.4177.20000109.9H58 A60 I105 Y107 P125 V129H58-V127 PolarHBondContact N-O 2.66Å; H58-V127 PolarHBondContact ND1-O 2.93Å; H58-V127 PolarHBondContact O-N 2.89Å; A60-V127 HydrophobicContact CB-CB 4.42Å; A60-V127 HydrophobicContact CB-CG2 3.9Å; I105-V127 HydrophobicContact CG1-CG1 4.37Å; I105-V127 HydrophobicContact CG2-CB 4.48Å; I105-V127 HydrophobicContact CG2-CG1 3.77Å; I105-V127 HydrophobicContact CG2-CG2 3.86Å; Y107-V127 HydrophobicContact CD1-CG2 4.42Å; P125-V127 HydrophobicContact CB-CG2 4.41Å; P125-V127 HydrophobicContact CG-CG2 4.21Å; V127-V129 HydrophobicContact CG1-CG2 3.86Å
128M83.6Confident86.9Confident120 Ų12038.7 Ų38.759%0.59121%0.205SC*.EExtended strand (participates in β ladder)trans-105.8126170.9-178.4174.8-89.900109.9V56 R57V56-M128 CarbonylContact O-C 3.52Å; V56-M128 WeakPolarHBondContact O-CA 3.41Å; R57-M128 HydrophobicContact CB-CE 4.49Å
129V84.7Confident86.3Confident4 Ų438.5 Ų38.52%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-121.1134.6-179.7176.30000109H55 V56 I96 V127 T131 I149H55-V129 CarbonylContact C-O 3.56Å; H55-V129 WeakPolarHBondContact CA-O 3.02Å; V56-V129 HydrophobicContact CB-CB 4.49Å; V56-V129 PolarHBondContact N-O 2.82Å; V56-V129 PolarHBondContact O-N 2.83Å; I96-V129 HydrophobicContact CD1-CB 3.78Å; I96-V129 HydrophobicContact CD1-CG1 3.41Å; I96-V129 VanDerWaalsContact CD1-CG1 3.41Å; I96-V129 HydrophobicContact CD1-CG2 3.37Å; I96-V129 HydrophobicContact CG2-CG1 4.31Å; V127-V129 HydrophobicContact CG1-CG2 3.86Å; V129-T131 HydrophobicContact CG1-CG2 3.57Å; V129-I149 HydrophobicContact CG1-CD1 4.35Å; V129-I149 HydrophobicContact CG1-CG1 4.49Å; V129-I149 HydrophobicContact CG1-CG2 4.07Å
130S85.7Confident85.7Confident12 Ų1239.5 Ų39.58%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-125.991.2174.6-57.20000109.5M54 H55 S99 V100M54-S130 CarbonylContact O-C 3.4Å; M54-S130 VanDerWaalsContact O-CA 3.22Å; M54-S130 WeakPolarHBondContact O-CA 3.24Å; H55-S130 PolarHBondContact CE1-OG 3.46Å; H55-S130 VanDerWaalsContact CE1-OG 3.26Å; H55-S130 PolarHBondContact ND1-OG 3.25Å; S99-S130 CarbonylContact C-O 3.55Å; S99-S130 VanDerWaalsContact CA-O 3.29Å; S99-S130 WeakPolarHBondContact CA-O 3.27Å; S99-S130 PolarHBondContact OG-O 2.89Å; S99-S130 VanDerWaalsContact OG-O 3.13Å; V100-S130 PolarHBondContact N-O 3.31Å
131T87.4Confident85.3Confident0 Ų034.6 Ų34.60%019%0.188CC..EExtended strand (participates in β ladder)trans-104.5155.1-175.545.50000112.8M54 I96 N98 V129 I149M54-T131 WeakPolarHBondContact CE-OG1 3.42Å; M54-T131 PolarHBondContact N-O 2.97Å; M54-T131 PolarHBondContact O-N 2.94Å; I96-T131 HydrophobicContact CG2-CG2 3.48Å; I96-T131 VanDerWaalsContact CG2-CG2 3.48Å; N98-T131 VanDerWaalsContact O-CA 3.3Å; N98-T131 WeakPolarHBondContact O-CA 3.28Å; N98-T131 WeakPolarHBondContact OD1-CG2 3.48Å; V129-T131 HydrophobicContact CG1-CG2 3.57Å; T131-I149 HydrophobicContact CG2-CG1 4.3Å; T131-I149 HydrophobicContact CG2-CG2 4.36Å
132D82.3Confident84.9Confident48 Ų4839.4 Ų39.426%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-83.1128.9167.6-170.57.4000109.9S51 N98 V100S51-D132 WeakPolarHBondContact CA-OD1 3.39Å; S51-D132 WeakPolarHBondContact CB-OD1 3.48Å; S51-D132 WeakPolarHBondContact CB-OD2 3.37Å; S51-D132 PolarHBondContact OG-OD1 3.28Å; S51-D132 PolarHBondContact OG-OD2 2.93Å; N98-D132 PolarHBondContact ND2-O 2.87Å; N98-D132 PolarHBondContact O-N 2.98Å; V100-D132 HydrophobicContact CG2-CB 3.75Å
133C86.2Confident84.6Confident1 Ų136.7 Ų36.71%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-125.7119.8173.4-175.50000110.8M52 M135 C147M52-C133 PolarHBondContact N-O 3.26Å; M52-C133 PolarHBondContact O-N 2.83Å; C133-M135 PolarHBondContact O-N 3.21Å; C133-C147 HydrophobicContact CB-CB 3.74Å; C133-C147 WeakPolarHBondContact CB-SG 3.16Å; C133-C147 WeakPolarHBondContact SG-CA 2.86Å; C133-C147 WeakPolarHBondContact SG-CB 3.42Å; C133-C147 CovalentContact SG-SG 2.04Å; C133-C147 PolarHBondContact SG-SG 2.84Å
134S80.8Confident84.5Confident75 Ų7540.8 Ų40.852%0.52423%0.226SC..EExtended strand (participates in β ladder)trans-74.1120.7171.7-176.20000109.4
135M78.4Confident84.4Confident30 Ų3038.7 Ų38.715%0.14821%0.211CC..  trans-112.5139.3-179.7-67.1-157.7-171.700111.5M52 C133 H145 W191M52-M135 HydrophobicContact CB-CE 3.89Å; M52-M135 HydrophobicContact CB-CG 4.29Å; M52-M135 HydrophobicContact CB-SD 4.27Å; M52-M135 HydrophobicContact CE-CE 3.63Å; M52-M135 HydrophobicContact CE-SD 3.77Å; M52-M135 HydrophobicContact CG-CE 4.36Å; M52-M135 HydrophobicContact CG-CG 4.37Å; M52-M135 HydrophobicContact CG-SD 4.16Å; M52-M135 HydrophobicContact SD-CB 4.44Å; M52-M135 HydrophobicContact SD-CE 3.75Å; M52-M135 HydrophobicContact SD-CG 4.04Å; M52-M135 HydrophobicContact SD-SD 3.17Å; C133-M135 PolarHBondContact O-N 3.21Å; M135-H145 WeakPolarHBondContact CA-ND1 3.4Å; M135-H145 HydrophobicContact CG-CB 4.24Å; M135-H145 VanDerWaalsContact SD-CD2 3.57Å; M135-W191 HydrophobicContact CE-CH2 4.5Å; M135-W191 HydrophobicContact SD-CH2 3.96Å; M135-W191 HydrophobicContact SD-CZ2 4.29Å
136E77.1Confident84.4Confident111 Ų11142.3 Ų42.352%0.51923%0.23SC..  trans-112.298.8175.4-165.3-166.714800110.7S138 H145E136-S138 PolarHBondContact O-N 2.62Å; E136-S138 WeakPolarHBondContact OE1-CB 3.46Å; E136-S138 PolarHBondContact OE1-OG 3.05Å; E136-H145 PolarHBondContact N-CE1 3.32Å; E136-H145 VanDerWaalsContact N-CE1 3.31Å; E136-H145 PolarHBondContact N-ND1 3.17Å; E136-H145 PolarHBondContact O-CE1 2.72Å
137A78.3Confident84.6Confident4 Ų437.8 Ų37.83%0.03321%0.209CC..G310 helixtrans-84.721.4-175.300000114.2S139 Y140 P289 A291A137-S139 PolarHBondContact O-N 2.86Å; A137-Y140 VanDerWaalsContact O-CB 3.28Å; A137-Y140 WeakPolarHBondContact O-CB 3.07Å; A137-Y140 PolarHBondContact O-N 2.73Å; A137-Y140 VanDerWaalsContact O-N 3.07Å; A137-P289 HydrophobicContact CB-CB 4.31Å; A137-P289 HydrophobicContact CB-CG 3.48Å; A137-P289 VanDerWaalsContact CB-CG 3.48Å; A137-A291 HydrophobicContact CB-CB 3.99Å
138S78.3Confident84.8Confident17 Ų1739.2 Ų39.212%0.11922%0.218CC..G310 helixtrans-57.4-35.1-179.557.90000112.2E136 R297E136-S138 PolarHBondContact O-N 2.62Å; E136-S138 WeakPolarHBondContact OE1-CB 3.46Å; E136-S138 PolarHBondContact OE1-OG 3.05Å; S138-R297 WeakPolarHBondContact O-CG 3.43Å; S138-R297 PolarHBondContact O-N 3.35Å
139S83.5Confident85.1Confident50 Ų5034.2 Ų34.235%0.3519%0.194SC..G310 helixtrans-98.916.6179.1-60.90000114.5A137 T142 D143A137-S139 PolarHBondContact O-N 2.86Å; S139-T142 CarbonylContact O-C 3.51Å; S139-T142 PolarHBondContact O-N 2.76Å; S139-T142 PolarHBondContact O-OG1 3.33Å; S139-D143 PolarHBondContact O-N 2.82Å
140Y81.8Confident85.3Confident21 Ų2134.5 Ų34.58%0.08220%0.195CC..THydrogen-bonded Turntrans-53.4135173.7179.2-87.2000110.6A137 I235 F238 M288 P289 I298A137-Y140 VanDerWaalsContact O-CB 3.28Å; A137-Y140 WeakPolarHBondContact O-CB 3.07Å; A137-Y140 PolarHBondContact O-N 2.73Å; A137-Y140 VanDerWaalsContact O-N 3.07Å; Y140-I235 HydrophobicContact CE2-CD1 4.17Å; Y140-F238 HydrophobicContact CE1-CD2 4.41Å; Y140-F238 AromaticContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CZ 4.08Å; Y140-M288 HydrophobicContact CE1-CG 4.19Å; Y140-P289 HydrophobicContact CD2-CG 4.08Å; Y140-I298 HydrophobicContact CD1-CG2 3.99Å
141P86.1Confident85.5Confident22 Ų2235.3 Ų35.314%0.14320%0.199CC..THydrogen-bonded Turncis-96.612.61340.7-41.8000115.6I235 F238P141-I235 HydrophobicContact CB-CD1 4.3Å; P141-F238 HydrophobicContact CB-CD1 4.25Å; P141-F238 HydrophobicContact CB-CD2 3.94Å; P141-F238 HydrophobicContact CB-CE1 4.45Å; P141-F238 HydrophobicContact CB-CE2 4.18Å; P141-F238 HydrophobicContact CB-CG 3.97Å; P141-F238 HydrophobicContact CB-CZ 4.41Å; P141-F238 HydrophobicContact CG-CB 4.38Å; P141-F238 HydrophobicContact CG-CD1 3.57Å; P141-F238 HydrophobicContact CG-CD2 4.18Å; P141-F238 HydrophobicContact CG-CE1 3.77Å; P141-F238 HydrophobicContact CG-CE2 4.37Å; P141-F238 HydrophobicContact CG-CG 3.77Å; P141-F238 HydrophobicContact CG-CZ 4.17Å
142T86.9Confident85.5Confident101 Ų10135.4 Ų35.462%0.6220%0.199SC*.SBendtrans-116.635.1-177.3560000111.6S139S139-T142 CarbonylContact O-C 3.51Å; S139-T142 PolarHBondContact O-N 2.76Å; S139-T142 PolarHBondContact O-OG1 3.33Å
143D87.8Confident85.8Confident2 Ų233.7 Ų33.71%0.01119%0.19CC..  trans-70145.817847-47.8000112.2S139 H145 R233S139-D143 PolarHBondContact O-N 2.82Å; D143-H145 IonicContact OD2-CD2 3.45Å; D143-H145 IonicContact OD2-CE1 3.65Å; D143-H145 IonicContact OD2-NE2 2.79Å; D143-H145 PolarHBondContact OD2-NE2 3.23Å; D143-R233 VanDerWaalsContact CG-NE 3.29Å; D143-R233 PolarHBondContact O-N 3.49Å; D143-R233 VanDerWaalsContact OD1-CB 3.24Å; D143-R233 WeakPolarHBondContact OD1-CB 3.33Å; D143-R233 WeakPolarHBondContact OD1-CD 3.46Å; D143-R233 IonicContact OD1-CZ 3.15Å; D143-R233 IonicContact OD1-NE 3.55Å; D143-R233 PolarHBondContact OD1-NE 2.97Å; D143-R233 IonicContact OD2-CZ 3.89Å; D143-R233 IonicContact OD2-NE 2.78Å; D143-R233 PolarHBondContact OD2-NE 2.86Å; D143-R233 IonicContact OD2-NH2 3.82Å; D143-R233 PolarHBondContact OD2-NH2 3.41Å
144E90.5Very high85.6Confident87 Ų8734.6 Ų34.641%0.40720%0.196SC..EExtended strand (participates in β ladder)trans-120.1139173.5-65.8-171.3-172.900109.7F231 R232E144-F231 CarbonylContact C-O 3.46Å; E144-F231 VanDerWaalsContact CA-O 3.24Å; E144-F231 WeakPolarHBondContact CA-O 3.22Å; E144-R232 HydrophobicContact CG-CB 4Å; E144-R232 HydrophobicContact CG-CG 4.01Å; E144-R232 IonicContact OE1-CZ 2.61Å; E144-R232 IonicContact OE1-NE 3.65Å; E144-R232 PolarHBondContact OE1-NE 3.39Å; E144-R232 IonicContact OE1-NH2 2.81Å; E144-R232 PolarHBondContact OE1-NH2 3.47Å
145H88.6Confident85.5Confident8 Ų833.1 Ų33.14%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-132.9137.8-178.4-53-69.4000111M135 E136 D143 W191 R230 F231M135-H145 WeakPolarHBondContact CA-ND1 3.4Å; M135-H145 HydrophobicContact CG-CB 4.24Å; M135-H145 VanDerWaalsContact SD-CD2 3.57Å; E136-H145 PolarHBondContact N-CE1 3.32Å; E136-H145 VanDerWaalsContact N-CE1 3.31Å; E136-H145 PolarHBondContact N-ND1 3.17Å; E136-H145 PolarHBondContact O-CE1 2.72Å; D143-H145 IonicContact OD2-CD2 3.45Å; D143-H145 IonicContact OD2-CE1 3.65Å; D143-H145 IonicContact OD2-NE2 2.79Å; D143-H145 PolarHBondContact OD2-NE2 3.23Å; H145-W191 AromaticContact CD2-CH2 3.53Å; H145-W191 AromaticContact CD2-CZ3 3.61Å; H145-W191 AromaticContact NE2-CH2 3.83Å; H145-R230 WeakPolarHBondContact O-CA 3.41Å; H145-F231 PolarHBondContact N-O 2.87Å; H145-F231 PolarHBondContact O-N 2.67Å
146D91.1Very high85.6Confident77 Ų7740.7 Ų40.741%0.41223%0.225SC..EExtended strand (participates in β ladder)trans-99.8106.4171.9-78.5-18.8000109.1P148 T228 R230D146-P148 WeakPolarHBondContact O-CD 3.17Å; D146-T228 HydrophobicContact CB-CG2 3.78Å; D146-R230 WeakPolarHBondContact OD1-CB 3.38Å; D146-R230 VanDerWaalsContact OD1-CG 3.32Å; D146-R230 WeakPolarHBondContact OD1-CG 3.33Å; D146-R230 IonicContact OD1-CZ 2.93Å; D146-R230 IonicContact OD1-NE 2.97Å; D146-R230 PolarHBondContact OD1-NE 3.01Å; D146-R230 IonicContact OD1-NH2 3.41Å; D146-R230 PolarHBondContact OD1-NH2 3.36Å; D146-R230 IonicContact OD2-CZ 3.53Å; D146-R230 IonicContact OD2-NE 2.87Å; D146-R230 IonicContact OD2-NH2 3.96Å; D146-R230 PolarHBondContact OD2-NH2 2.82Å
147C90.9Very high85.8Confident0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-102.3107.5179.6-63.80000110.1M54 C133 V229 F231M54-C147 HydrophobicContact CE-CB 3.94Å; M54-C147 HydrophobicContact SD-CB 4.06Å; C133-C147 HydrophobicContact CB-CB 3.74Å; C133-C147 WeakPolarHBondContact CB-SG 3.16Å; C133-C147 WeakPolarHBondContact SG-CA 2.86Å; C133-C147 WeakPolarHBondContact SG-CB 3.42Å; C133-C147 CovalentContact SG-SG 2.04Å; C133-C147 PolarHBondContact SG-SG 2.84Å; C147-V229 PolarHBondContact N-O 2.96Å; C147-V229 PolarHBondContact O-N 3.23Å; C147-F231 HydrophobicContact CB-CD2 4.25Å; C147-F231 HydrophobicContact CB-CE2 4.04Å
148P90.9Very high85.8Confident34 Ų3437.1 Ų37.122%0.22121%0.21CC..EExtended strand (participates in β ladder)trans-78.1149.7177.332.1-34.2000111.6N98 D146 L150 K226 V227N98-P148 PolarHBondContact ND2-O 3.41Å; D146-P148 WeakPolarHBondContact O-CD 3.17Å; P148-L150 HydrophobicContact CB-CD2 4.17Å; P148-K226 HydrophobicContact CB-CG 4.21Å; P148-V227 CarbonylContact C-O 3.57Å
149I89.8Confident85.7Confident14 Ų1444.1 Ų44.17%0.07224%0.241CC..EExtended strand (participates in β ladder)trans-121.3115.6165-57.2173.2000105.6M54 I96 V129 T131 L151 V227M54-I149 HydrophobicContact CE-CD1 4.26Å; M54-I149 HydrophobicContact CE-CG1 4.15Å; I96-I149 HydrophobicContact CG2-CG2 4.11Å; V129-I149 HydrophobicContact CG1-CD1 4.35Å; V129-I149 HydrophobicContact CG1-CG1 4.49Å; V129-I149 HydrophobicContact CG1-CG2 4.07Å; T131-I149 HydrophobicContact CG2-CG1 4.3Å; T131-I149 HydrophobicContact CG2-CG2 4.36Å; I149-L151 HydrophobicContact CG2-CG 4.32Å; I149-V227 HydrophobicContact CB-CB 4.49Å; I149-V227 PolarHBondContact N-O 2.87Å; I149-V227 PolarHBondContact O-N 3.48Å
150L89.6Confident85.5Confident10 Ų1046 Ų465%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-99.998.9-173.6-60-174.3000110I96 L97 N98 P148 Y203 V224 K226I96-L150 CarbonylContact C-O 3.6Å; I96-L150 VanDerWaalsContact CA-O 3.27Å; I96-L150 WeakPolarHBondContact CA-O 3.47Å; L97-L150 HydrophobicContact CB-CB 3.94Å; L97-L150 HydrophobicContact CB-CD1 4.48Å; L97-L150 HydrophobicContact CG-CB 4.42Å; L97-L150 PolarHBondContact N-O 3.05Å; N98-L150 HydrophobicContact CB-CD1 4.18Å; N98-L150 HydrophobicContact CB-CG 4.36Å; N98-L150 PolarHBondContact OD1-N 2.98Å; P148-L150 HydrophobicContact CB-CD2 4.17Å; L150-Y203 HydrophobicContact CD2-CE2 4.4Å; L150-V224 HydrophobicContact CB-CG1 3.76Å; L150-V224 HydrophobicContact CD2-CG1 4.15Å; L150-V224 HydrophobicContact CG-CG1 4.48Å; L150-K226 HydrophobicContact CD2-CB 3.82Å; L150-K226 HydrophobicContact CD2-CD 3.74Å; L150-K226 HydrophobicContact CD2-CG 3.62Å
151L89.3Confident85.6Confident30 Ų3046.3 Ų46.316%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-92.6129.1-179.7-66.5164.1000110.5R95 I96 I105 I149 L163 V224 L225 V227R95-L151 WeakPolarHBondContact O-CA 2.94Å; I96-L151 HydrophobicContact CG1-CD2 3.94Å; I105-L151 HydrophobicContact CD1-CD2 3.29Å; I105-L151 HydrophobicContact CG1-CD2 4.45Å; I149-L151 HydrophobicContact CG2-CG 4.32Å; L151-L163 HydrophobicContact CB-CD1 4.31Å; L151-L163 WeakPolarHBondContact O-CD1 3.33Å; L151-V224 CarbonylContact O-C 3.58Å; L151-V224 VanDerWaalsContact O-CA 3.31Å; L151-V224 WeakPolarHBondContact O-CA 3.26Å; L151-V224 WeakPolarHBondContact O-CG1 3.36Å; L151-L225 HydrophobicContact CB-CB 4.26Å; L151-L225 HydrophobicContact CD1-CD2 4.38Å; L151-L225 PolarHBondContact N-O 2.89Å; L151-L225 PolarHBondContact O-N 3.07Å; L151-V227 HydrophobicContact CD1-CG2 4.32Å
152A88Confident85.5Confident1 Ų149.8 Ų49.81%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-137.4146.1174.900000110.4R95 L97 V222 V224R95-A152 PolarHBondContact N-O 2.97Å; R95-A152 PolarHBondContact O-N 2.93Å; L97-A152 HydrophobicContact CD1-CB 4Å; L97-A152 HydrophobicContact CD2-CB 3.99Å; L97-A152 HydrophobicContact CG-CB 3.99Å; A152-V222 HydrophobicContact CB-CG1 3.83Å; A152-V224 HydrophobicContact CB-CG2 4.34Å
153P87.9Confident85.3Confident12 Ų1246 Ų468%0.07826%0.258CS..EExtended strand (participates in β ladder)trans-63.2153.1166.6-13.929.2000110.4Q93 D157 T158 V161 L163Q93-P153 CarbonylContact O-C 3.55Å; Q93-P153 WeakPolarHBondContact O-CA 3.29Å; P153-D157 HydrophobicContact CB-CB 4.27Å; P153-T158 VanDerWaalsContact O-CG2 3.31Å; P153-T158 WeakPolarHBondContact O-CG2 3.23Å; P153-V161 HydrophobicContact CB-CB 4.13Å; P153-V161 HydrophobicContact CB-CG1 4.42Å; P153-V161 HydrophobicContact CG-CB 4.07Å; P153-V161 HydrophobicContact CG-CG1 4.03Å; P153-L163 HydrophobicContact CG-CD1 4.19Å; P153-L163 HydrophobicContact CG-CD2 4.4Å; P153-L163 HydrophobicContact CG-CG 3.95Å
154T82.7Confident85Confident21 Ų2148.2 Ų48.213%0.12928%0.282CS..  trans-133.8157.9-179.6-1730000112.1Q93 R95 L104 K156 D157Q93-T154 HydrophobicContact CB-CG2 3.78Å; Q93-T154 PolarHBondContact O-N 2.94Å; R95-T154 HydrophobicContact CB-CG2 4.05Å; L104-T154 HydrophobicContact CD1-CG2 3.63Å; T154-K156 PolarHBondContact O-N 3.33Å; T154-D157 PolarHBondContact O-N 2.78Å
155G79.1Confident84.5Confident43 Ų4347.2 Ų47.244%0.44328%0.282SS..THydrogen-bonded Turntrans63.4-133.3179.700000112.4D157 T158G155-D157 PolarHBondContact O-N 2.77Å; G155-T158 WeakPolarHBondContact O-CB 3.01Å; G155-T158 VanDerWaalsContact O-CG2 3.31Å; G155-T158 WeakPolarHBondContact O-CG2 3.47Å; G155-T158 PolarHBondContact O-N 3.28Å; G155-T158 PolarHBondContact O-OG1 2.92Å
156K79.1Confident83.7Confident190 Ų19052.5 Ų52.583%0.82632%0.319SS*.THydrogen-bonded Turntrans-64.8-25.5-179.1-64.8-174.8-179.6-178.10113T154 T158T154-K156 PolarHBondContact O-N 3.33Å; K156-T158 PolarHBondContact O-N 3.42Å
157D81.8Confident83Confident10 Ų1052.2 Ų52.25%0.05333%0.327CS..Hα-helixtrans-76.4-12-176.4-63.4-18.9000112.3W90 Q93 P153 T154 G155 E159 S160 V161W90-D157 WeakPolarHBondContact CZ2-OD1 3.38Å; W90-D157 PolarHBondContact NE1-OD1 3.03Å; Q93-D157 WeakPolarHBondContact CB-OD2 3.38Å; Q93-D157 PolarHBondContact N-OD2 3.22Å; P153-D157 HydrophobicContact CB-CB 4.27Å; T154-D157 PolarHBondContact O-N 2.78Å; G155-D157 PolarHBondContact O-N 2.77Å; D157-E159 PolarHBondContact O-N 3.48Å; D157-S160 WeakPolarHBondContact CA-OG 3.34Å; D157-S160 PolarHBondContact O-N 3.33Å; D157-V161 HydrophobicContact CB-CB 4.36Å; D157-V161 HydrophobicContact CB-CG2 3.72Å; D157-V161 WeakPolarHBondContact O-CB 3.21Å; D157-V161 PolarHBondContact O-N 2.95Å
158T77.9Confident82.5Confident30 Ų3059.1 Ų59.118%0.18436%0.364CS..Hα-helixtrans-60.5-29.8178.358.90000113.4P153 G155 K156 K217P153-T158 VanDerWaalsContact O-CG2 3.31Å; P153-T158 WeakPolarHBondContact O-CG2 3.23Å; G155-T158 WeakPolarHBondContact O-CB 3.01Å; G155-T158 VanDerWaalsContact O-CG2 3.31Å; G155-T158 WeakPolarHBondContact O-CG2 3.47Å; G155-T158 PolarHBondContact O-N 3.28Å; G155-T158 PolarHBondContact O-OG1 2.92Å; K156-T158 PolarHBondContact O-N 3.42Å; T158-K217 VanDerWaalsContact C-NZ 3.29Å; T158-K217 HydrophobicContact CG2-CD 4.39Å; T158-K217 PolarHBondContact O-NZ 3.12Å; T158-K217 WeakPolarHBondContact OG1-CE 3.47Å
159E76.5Confident82.1Confident164 Ų16459.1 Ų59.177%0.76636%0.364SS*.Hα-helixtrans-97.5-29.3-178.9-64-177.9173.200113D157D157-E159 PolarHBondContact O-N 3.48Å
160S80Confident81.4Confident88 Ų8865.2 Ų65.262%0.61539%0.393SS*.Hα-helixtrans-94.8-21.6-175.756.50000113.8D157D157-S160 WeakPolarHBondContact CA-OG 3.34Å; D157-S160 PolarHBondContact O-N 3.33Å
161V83.5Confident80.8Confident28 Ų2867.2 Ų67.217%0.1740%0.403CS..  trans-108.5123.6-175.5-177.20000110.5W90 P153 D157 L163W90-V161 HydrophobicContact CH2-CG2 3.66Å; W90-V161 HydrophobicContact CZ2-CG2 3.79Å; P153-V161 HydrophobicContact CB-CB 4.13Å; P153-V161 HydrophobicContact CB-CG1 4.42Å; P153-V161 HydrophobicContact CG-CB 4.07Å; P153-V161 HydrophobicContact CG-CG1 4.03Å; D157-V161 HydrophobicContact CB-CB 4.36Å; D157-V161 HydrophobicContact CB-CG2 3.72Å; D157-V161 WeakPolarHBondContact O-CB 3.21Å; D157-V161 PolarHBondContact O-N 2.95Å; V161-L163 HydrophobicContact CG1-CD2 4.16Å
162S82.9Confident80Confident95 Ų9568.8 Ų68.866%0.66441%0.412SS*.  trans-105.8134.2165.451.60000109.1
163L84.2Confident79.3Confident22 Ų2271.3 Ų71.312%0.11543%0.425CS..  trans-93.5127.2177-62.1-179.3000109L94 L151 P153 V161 Q223 L225L94-L163 HydrophobicContact CD2-CD1 4.3Å; L94-L163 HydrophobicContact CD2-CD2 3.81Å; L151-L163 HydrophobicContact CB-CD1 4.31Å; L151-L163 WeakPolarHBondContact O-CD1 3.33Å; P153-L163 HydrophobicContact CG-CD1 4.19Å; P153-L163 HydrophobicContact CG-CD2 4.4Å; P153-L163 HydrophobicContact CG-CG 3.95Å; V161-L163 HydrophobicContact CG1-CD2 4.16Å; L163-Q223 PolarHBondContact O-NE2 3.16Å; L163-Q223 VanDerWaalsContact O-NE2 3.13Å; L163-L225 HydrophobicContact CB-CB 3.99Å; L163-L225 HydrophobicContact CD1-CB 3.93Å
164G81.5Confident78.3Confident49 Ų4973.6 Ų73.651%0.50543%0.432SS..  trans-124.4152.3-176.400000113.3S166 E200G164-S166 PolarHBondContact O-N 3.47Å; G164-E200 WeakPolarHBondContact CA-OE1 3.32Å
165T80Confident77.3Confident66 Ų6681.2 Ų81.241%0.40546%0.459SS..  trans-84.895.3169.960.60000111Q198 E200 L225T165-Q198 VanDerWaalsContact CB-NE2 3.31Å; T165-Q198 HydrophobicContact CG2-CB 4.42Å; T165-Q198 HydrophobicContact CG2-CG 3.65Å; T165-E200 HydrophobicContact CG2-CG 4.24Å; T165-E200 PolarHBondContact N-OE1 3.42Å; T165-L225 HydrophobicContact CG2-CD1 3.84Å
166S71.1Confident76.3Confident119 Ų11984 Ų8483%0.83247%0.469SS*.  trans-85.5-36.7-179.3-174.30000113.7G164G164-S166 PolarHBondContact O-N 3.47Å
167A76.7Confident75.3Confident70 Ų7080.6 Ų80.658%0.57947%0.469SS*.SBendtrans-139.1153.5-178.200000110.6Q198A167-Q198 PolarHBondContact O-NE2 3.24Å
168N79.9Confident74.2Confident145 Ų14583.5 Ų83.578%0.77549%0.49SS*.  trans-56.4135.9175-71.5-39.7000110.3E170N168-E170 PolarHBondContact O-N 3.06Å
169P82.5Confident73.2Confident34 Ų3485.2 Ų85.222%0.22151%0.514CS..  trans-71.1124.2-176.730.4-32.6000108.9V196 Q198P169-V196 HydrophobicContact CB-CB 4.45Å; P169-V196 HydrophobicContact CB-CG1 3.81Å; P169-V196 HydrophobicContact CG-CB 4.45Å; P169-V196 HydrophobicContact CG-CG1 4.07Å; P169-Q198 HydrophobicContact CB-CB 4.26Å; P169-Q198 HydrophobicContact CB-CG 4.32Å; P169-Q198 HydrophobicContact CG-CB 3.93Å; P169-Q198 HydrophobicContact CG-CG 3.8Å
170E76.2Confident72.1Confident142 Ų14284.6 Ų84.666%0.66451%0.508SS*.  trans-114.6130.5173.5-64.7-161.4162.300110.1N168N168-E170 PolarHBondContact O-N 3.06Å
171L76.9Confident70.9Confident52 Ų5290 Ų9027%0.27252%0.521SS..  trans-115.7108.3172.4179.959.9000108.8I193 V196 V229L171-I193 HydrophobicContact CD2-CD1 3.56Å; L171-I193 HydrophobicContact CD2-CG1 4.42Å; L171-I193 HydrophobicContact CD2-CG2 4.35Å; L171-I193 HydrophobicContact CG-CD1 4.03Å; L171-V196 HydrophobicContact CB-CG2 3.55Å; L171-V196 HydrophobicContact CD2-CG2 3.97Å; L171-V196 HydrophobicContact CG-CG2 4.43Å; L171-V229 HydrophobicContact CD2-CG1 3.81Å; L171-V229 HydrophobicContact CD2-CG2 4.2Å
172N71.4Confident69.5Low63 Ų6398 Ų9834%0.33756%0.556SS.*  trans-103.6118.9-179.9-68.3-48.6000109.6Y174N172-Y174 HydrophobicContact CB-CD1 4.43Å; N172-Y174 HydrophobicContact CB-CE1 4.3Å; N172-Y174 PolarHBondContact O-N 3.12Å
173L72.6Confident68.2Low55 Ų5595.4 Ų95.429%0.28855%0.545SS..SBendtrans-82.28.4173.6-62.3172.2000113.2K185 V188 I193L173-K185 HydrophobicContact CB-CB 4.44Å; L173-K185 WeakPolarHBondContact CB-O 3.25Å; L173-K185 VanDerWaalsContact CD1-O 3.29Å; L173-K185 WeakPolarHBondContact CD1-O 3.22Å; L173-V188 HydrophobicContact CD1-CG2 3.49Å; L173-V188 VanDerWaalsContact CD1-CG2 3.49Å; L173-V188 HydrophobicContact CD2-CG2 3.65Å; L173-V188 HydrophobicContact CG-CG2 4.11Å; L173-I193 HydrophobicContact CD1-CD1 3.61Å; L173-I193 HydrophobicContact CD1-CG1 4.46Å; L173-I193 HydrophobicContact CD2-CD1 3.68Å; L173-I193 HydrophobicContact CG-CD1 3.68Å
174Y66.9Low67.1Low60 Ų60100.6 Ų100.624%0.23557%0.567CS.*SBendtrans-135.2153.7179.667.4-82.6000109N172 K184N172-Y174 HydrophobicContact CB-CD1 4.43Å; N172-Y174 HydrophobicContact CB-CE1 4.3Å; N172-Y174 PolarHBondContact O-N 3.12Å; Y174-K184 HydrophobicContact CE1-CB 4.39Å; Y174-K184 HydrophobicContact CE1-CG 4.32Å
175W62.3Low66.3Low181 Ų181104 Ų10469%0.68657%0.568SS**  trans-70.8126.8172.9-70.792.8000109.7I59 S177 S178I59-W175 HydrophobicContact CD1-CE3 3.94Å; I59-W175 HydrophobicContact CD1-CH2 3.14Å; I59-W175 HydrophobicContact CD1-CZ2 4Å; I59-W175 HydrophobicContact CD1-CZ3 3.09Å; I59-W175 HydrophobicContact CG1-CH2 4.33Å; W175-S177 PolarHBondContact O-N 3.43Å; W175-S178 WeakPolarHBondContact O-CB 3.18Å; W175-S178 PolarHBondContact O-N 3.02Å
176P58.4Low65.9Low102 Ų102104.1 Ų104.166%0.66257%0.566SS**G310 helixtrans-58.7-23.8-178.719.5-29.8000112.9S178P176-S178 PolarHBondContact O-N 3.43Å; P176-S178 VanDerWaalsContact O-N 3.13Å
177S59Low66.2Low118 Ų118100.9 Ų100.983%0.82554%0.543SS*.G310 helixtrans-63.3-13.3175.3-166.40000114.4W175 G179W175-S177 PolarHBondContact O-N 3.43Å; S177-G179 PolarHBondContact O-N 2.96Å
178S58.7Low66.3Low70 Ų70101.7 Ų101.749%0.4954%0.54SS..G310 helixtrans-71-0.4-174.6-172.30000115.1W175 P176 K180W175-S178 WeakPolarHBondContact O-CB 3.18Å; W175-S178 PolarHBondContact O-N 3.02Å; P176-S178 PolarHBondContact O-N 3.43Å; P176-S178 VanDerWaalsContact O-N 3.13Å; S178-K180 PolarHBondContact O-N 2.98Å
179G55.3Low66.4Low66 Ų6698.6 Ų98.668%0.6854%0.543SS*.  trans64.1-6.6174.600000116.1S177 K181S177-G179 PolarHBondContact O-N 2.96Å; G179-K181 VanDerWaalsContact C-N 3.31Å; G179-K181 PolarHBondContact O-N 3.36Å
180K54.6Low66.6Low151 Ų151101 Ų10166%0.65755%0.551SS**  trans-78.580.1175.5-70.6-173.4178.5-177.40109.4S178 E182S178-K180 PolarHBondContact O-N 2.98Å; K180-E182 PolarHBondContact O-N 2.73Å
181K54.6Low67.1Low201 Ų20196.9 Ų96.987%0.87453%0.529SS*.THydrogen-bonded Turntrans-64.6-13.1175.2-78.6-174.5173.3-178.10113.9G179G179-K181 VanDerWaalsContact C-N 3.31Å; G179-K181 PolarHBondContact O-N 3.36Å
182E54.4Low67.6Low196 Ų19695.9 Ų95.992%0.91652%0.523SS*.THydrogen-bonded Turntrans-119.116-168.9-66.1-173.1161.800115.1K180K180-E182 PolarHBondContact O-N 2.73Å
183G54.4Low68.4Low42 Ų4293.5 Ų93.543%0.43351%0.511SS..  trans-146.176.5177.300000111.6K185G183-K185 PolarHBondContact O-N 3.21Å
184K62Low69.2Low130 Ų13093.4 Ų93.457%0.56551%0.512SS*.  trans-56.9105.7166-68.2-172179.1-169.70106.7Y174 L186Y174-K184 HydrophobicContact CE1-CB 4.39Å; Y174-K184 HydrophobicContact CE1-CG 4.32Å; K184-L186 HydrophobicContact CB-CD2 4.2Å; K184-L186 HydrophobicContact CB-CG 4.12Å; K184-L186 PolarHBondContact O-N 3.45Å
185K64Low70.3Confident122 Ų12293.4 Ų93.453%0.5352%0.516SS..  trans-64.4108.2169.3-174.8178.6-179.6-176.40105.4L173 G183 S187L173-K185 HydrophobicContact CB-CB 4.44Å; L173-K185 WeakPolarHBondContact CB-O 3.25Å; L173-K185 VanDerWaalsContact CD1-O 3.29Å; L173-K185 WeakPolarHBondContact CD1-O 3.22Å; G183-K185 PolarHBondContact O-N 3.21Å; K185-S187 WeakPolarHBondContact CE-O 3.39Å
186L73Confident71.5Confident68 Ų6886 Ų8636%0.35649%0.491SS..  trans-101.9-7.6-179.6-67.7171.9000112K184 E192 I193K184-L186 HydrophobicContact CB-CD2 4.2Å; K184-L186 HydrophobicContact CB-CG 4.12Å; K184-L186 PolarHBondContact O-N 3.45Å; L186-E192 HydrophobicContact CB-CG 4.3Å; L186-E192 CarbonylContact O-C 3.51Å; L186-E192 WeakPolarHBondContact O-CA 3.24Å; L186-I193 PolarHBondContact O-N 2.85Å
187S76.2Confident73.2Confident51 Ų5184.3 Ų84.336%0.35748%0.479SS..EExtended strand (participates in β ladder)trans-114.3137.5-176.4600000114.2K185 W191K185-S187 WeakPolarHBondContact CE-O 3.39Å; S187-W191 CarbonylContact C-O 3.5Å; S187-W191 WeakPolarHBondContact CA-O 3.28Å; S187-W191 WeakPolarHBondContact CB-O 3.14Å
188V78.7Confident74.7Confident87 Ų8781 Ų8153%0.52745%0.45SS..EExtended strand (participates in β ladder)trans-128.1116.1169.6-178.70000108L173 Q190 W191L173-V188 HydrophobicContact CD1-CG2 3.49Å; L173-V188 VanDerWaalsContact CD1-CG2 3.49Å; L173-V188 HydrophobicContact CD2-CG2 3.65Å; L173-V188 HydrophobicContact CG-CG2 4.11Å; V188-Q190 PolarHBondContact O-N 3.11Å; V188-W191 PolarHBondContact N-O 3.33Å; V188-W191 PolarHBondContact O-N 2.93Å
189G82.7Confident76.3Confident80 Ų8082 Ų8283%0.82545%0.446SS*.THydrogen-bonded Turntrans60-121.4-17700000111.7
190Q86.2Confident77.9Confident83 Ų8383.1 Ų83.139%0.38843%0.433SS..THydrogen-bonded Turntrans-9510.7178-65.1-179.6-16.100113.4V188 R234 I235V188-Q190 PolarHBondContact O-N 3.11Å; Q190-R234 PolarHBondContact O-N 2.93Å; Q190-I235 HydrophobicContact CB-CG1 4.12Å; Q190-I235 HydrophobicContact CG-CG1 4.21Å
191W86.9Confident79.5Confident56 Ų5678.4 Ų78.421%0.21241%0.413CS..EExtended strand (participates in β ladder)trans-118.4142.1-175.8-65.5103000111.1M135 H145 S187 V188 F231 R233M135-W191 HydrophobicContact CE-CH2 4.5Å; M135-W191 HydrophobicContact SD-CH2 3.96Å; M135-W191 HydrophobicContact SD-CZ2 4.29Å; H145-W191 AromaticContact CD2-CH2 3.53Å; H145-W191 AromaticContact CD2-CZ3 3.61Å; H145-W191 AromaticContact NE2-CH2 3.83Å; S187-W191 CarbonylContact C-O 3.5Å; S187-W191 WeakPolarHBondContact CA-O 3.28Å; S187-W191 WeakPolarHBondContact CB-O 3.14Å; V188-W191 PolarHBondContact N-O 3.33Å; V188-W191 PolarHBondContact O-N 2.93Å; W191-F231 HydrophobicContact CE3-CB 3.93Å; W191-F231 HydrophobicContact CZ3-CB 4.28Å; W191-R233 HydrophobicContact CE3-CB 4Å; W191-R233 HydrophobicContact CH2-CB 4.23Å; W191-R233 HydrophobicContact CZ3-CB 3.7Å; W191-R233 HydrophobicContact CZ3-CG 4.37Å
192E88.3Confident80.9Confident32 Ų3273.4 Ų73.415%0.1540%0.4CS..EExtended strand (participates in β ladder)trans-119.7131175-179.9171.5-117.600109L186 V194 F231 R232 R234L186-E192 HydrophobicContact CB-CG 4.3Å; L186-E192 CarbonylContact O-C 3.51Å; L186-E192 WeakPolarHBondContact O-CA 3.24Å; E192-V194 PolarHBondContact O-N 2.98Å; E192-F231 CarbonylContact O-C 3.58Å; E192-F231 WeakPolarHBondContact O-CA 3.22Å; E192-R232 PolarHBondContact N-O 2.88Å; E192-R232 PolarHBondContact O-N 3.36Å; E192-R232 IonicContact OE2-NH1 3.96Å; E192-R234 HydrophobicContact CB-CB 4.49Å; E192-R234 IonicContact OE1-CZ 2.72Å; E192-R234 IonicContact OE1-NH1 3.51Å; E192-R234 PolarHBondContact OE1-NH1 2.87Å
193I88.3Confident82.1Confident13 Ų1366.1 Ų66.17%0.06736%0.364CS..EExtended strand (participates in β ladder)trans-81.1117.1172.4-61.9164.6000107.1L171 L173 L186 V196 V229 F231L171-I193 HydrophobicContact CD2-CD1 3.56Å; L171-I193 HydrophobicContact CD2-CG1 4.42Å; L171-I193 HydrophobicContact CD2-CG2 4.35Å; L171-I193 HydrophobicContact CG-CD1 4.03Å; L173-I193 HydrophobicContact CD1-CD1 3.61Å; L173-I193 HydrophobicContact CD1-CG1 4.46Å; L173-I193 HydrophobicContact CD2-CD1 3.68Å; L173-I193 HydrophobicContact CG-CD1 3.68Å; L186-I193 PolarHBondContact O-N 2.85Å; I193-V196 HydrophobicContact CG2-CG2 4.21Å; I193-V229 HydrophobicContact CG2-CG1 4.2Å; I193-F231 HydrophobicContact CD1-CE1 4.47Å; I193-F231 HydrophobicContact CG1-CD1 3.99Å; I193-F231 HydrophobicContact CG1-CE1 3.78Å
194V88.4Confident83.1Confident53 Ų5366.6 Ų66.632%0.32136%0.357SS..EExtended strand (participates in β ladder)trans-82.2-52.8-179.1-179.70000110E192 R230 R232E192-V194 PolarHBondContact O-N 2.98Å; V194-R230 HydrophobicContact CB-CB 4.26Å; V194-R230 HydrophobicContact CB-CG 3.96Å; V194-R230 HydrophobicContact CG2-CG 4.26Å; V194-R230 PolarHBondContact N-O 2.78Å; V194-R232 HydrophobicContact CG2-CB 3.46Å; V194-R232 VanDerWaalsContact CG2-CB 3.46Å
195N89.1Confident83.4Confident60 Ų6061 Ų6132%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-157.6168.2176.965.112000110.8R230N195-R230 PolarHBondContact O-N 3.2Å; N195-R230 WeakPolarHBondContact OD1-CB 3.48Å
196V89.6Confident83.4Confident26 Ų2663.6 Ų63.616%0.15834%0.34CS..EExtended strand (participates in β ladder)trans-126.3135.2168.9-1750000107.5P169 L171 I193 V227 T228 V229P169-V196 HydrophobicContact CB-CB 4.45Å; P169-V196 HydrophobicContact CB-CG1 3.81Å; P169-V196 HydrophobicContact CG-CB 4.45Å; P169-V196 HydrophobicContact CG-CG1 4.07Å; L171-V196 HydrophobicContact CB-CG2 3.55Å; L171-V196 HydrophobicContact CD2-CG2 3.97Å; L171-V196 HydrophobicContact CG-CG2 4.43Å; I193-V196 HydrophobicContact CG2-CG2 4.21Å; V196-V227 HydrophobicContact CG1-CG1 3.8Å; V196-T228 WeakPolarHBondContact CA-O 3.38Å; V196-V229 HydrophobicContact CG1-CG2 4.34Å; V196-V229 HydrophobicContact CG2-CG1 4.23Å; V196-V229 HydrophobicContact CG2-CG2 4.33Å
197T92.2Very high82.8Confident65 Ų6568 Ų6840%0.39936%0.358SS..EExtended strand (participates in β ladder)trans-127.1152.9177.360.20000109.1V227 T228T197-V227 CarbonylContact O-C 3.6Å; T197-V227 WeakPolarHBondContact O-CA 3.23Å; T197-T228 PolarHBondContact N-O 3.13Å; T197-T228 PolarHBondContact O-N 3.48Å
198Q91.6Very high82.4Confident48 Ų4869 Ų6922%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-135144.1175.569.5-174.49.200108.8T165 A167 P169 K226 V227T165-Q198 VanDerWaalsContact CB-NE2 3.31Å; T165-Q198 HydrophobicContact CG2-CB 4.42Å; T165-Q198 HydrophobicContact CG2-CG 3.65Å; A167-Q198 PolarHBondContact O-NE2 3.24Å; P169-Q198 HydrophobicContact CB-CB 4.26Å; P169-Q198 HydrophobicContact CB-CG 4.32Å; P169-Q198 HydrophobicContact CG-CB 3.93Å; P169-Q198 HydrophobicContact CG-CG 3.8Å; Q198-K226 VanDerWaalsContact CA-O 3.3Å; Q198-K226 WeakPolarHBondContact CA-O 3.49Å; Q198-V227 HydrophobicContact CB-CG2 4.44Å
199K91.4Very high81.6Confident93 Ų9369.1 Ų69.140%0.40436%0.362SS..EExtended strand (participates in β ladder)trans-151.2149.217353.5175.9172.5171.10110.2E201 K226K199-E201 HydrophobicContact CD-CG 4Å; K199-E201 WeakPolarHBondContact CD-OE1 3.3Å; K199-E201 VanDerWaalsContact CE-CD 3.48Å; K199-E201 WeakPolarHBondContact CE-OE1 3.41Å; K199-E201 HydrophobicContact CG-CG 4.14Å; K199-E201 IonicContact NZ-OE1 2.73Å; K199-E201 PolarHBondContact NZ-OE1 2.93Å; K199-E201 IonicContact NZ-OE2 2.62Å; K199-K226 HydrophobicContact CG-CB 4.24Å; K199-K226 PolarHBondContact N-O 3.14Å; K199-K226 PolarHBondContact O-N 3.39Å
200E90.5Very high80.7Confident88 Ų8867.9 Ų67.941%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-84.2125.8168.6-67.8166.2-141.300108.1G164 T165 Q223 L225G164-E200 WeakPolarHBondContact CA-OE1 3.32Å; T165-E200 HydrophobicContact CG2-CG 4.24Å; T165-E200 PolarHBondContact N-OE1 3.42Å; E200-Q223 PolarHBondContact OE2-NE2 2.97Å; E200-L225 HydrophobicContact CG-CD1 4.39Å
201E87.6Confident79.4Confident52 Ų5269.2 Ų69.224%0.24334%0.337CS..EExtended strand (participates in β ladder)trans-128.7147.3173.9-69.2-169.4152.300108.7K199 Y203 V224 K226K199-E201 HydrophobicContact CD-CG 4Å; K199-E201 WeakPolarHBondContact CD-OE1 3.3Å; K199-E201 VanDerWaalsContact CE-CD 3.48Å; K199-E201 WeakPolarHBondContact CE-OE1 3.41Å; K199-E201 HydrophobicContact CG-CG 4.14Å; K199-E201 IonicContact NZ-OE1 2.73Å; K199-E201 PolarHBondContact NZ-OE1 2.93Å; K199-E201 IonicContact NZ-OE2 2.62Å; E201-Y203 HydrophobicContact CB-CD2 4.17Å; E201-Y203 HydrophobicContact CB-CE2 3.74Å; E201-Y203 PolarHBondContact OE2-OH 3.27Å; E201-Y203 VanDerWaalsContact OE2-OH 3.04Å; E201-V224 PolarHBondContact N-O 3.09Å; E201-V224 PolarHBondContact O-N 2.88Å; E201-V224 VanDerWaalsContact O-O 3.12Å; E201-K226 IonicContact OE1-NZ 3.05Å; E201-K226 WeakPolarHBondContact OE2-CD 3.49Å; E201-K226 IonicContact OE2-NZ 3.99Å; E201-K226 PolarHBondContact OE2-NZ 3.5Å
202T84Confident78.1Confident97 Ų9773 Ų7360%0.59536%0.362SS*.EExtended strand (participates in β ladder)trans-104.7125.6171.1-570000107.7D221 V222T202-D221 HydrophobicContact CG2-CB 3.74Å; T202-V222 WeakPolarHBondContact CA-O 3.24Å
203Y78.5Confident76.8Confident42 Ų4274.8 Ų74.817%0.16537%0.369CS..EExtended strand (participates in β ladder)trans-110.1137180-79.5-89000110.4L150 E201 L205 E208 D221 V222 V224 K226L150-Y203 HydrophobicContact CD2-CE2 4.4Å; E201-Y203 HydrophobicContact CB-CD2 4.17Å; E201-Y203 HydrophobicContact CB-CE2 3.74Å; E201-Y203 PolarHBondContact OE2-OH 3.27Å; E201-Y203 VanDerWaalsContact OE2-OH 3.04Å; Y203-L205 PolarHBondContact O-N 2.97Å; Y203-E208 HydrophobicContact CD1-CG 4.1Å; Y203-D221 WeakPolarHBondContact O-CA 3.44Å; Y203-V222 PolarHBondContact N-O 2.99Å; Y203-V222 PolarHBondContact O-N 3.46Å; Y203-V224 HydrophobicContact CD2-CB 3.84Å; Y203-V224 HydrophobicContact CD2-CG1 4.36Å; Y203-V224 HydrophobicContact CD2-CG2 3.66Å; Y203-V224 HydrophobicContact CE2-CB 4.21Å; Y203-V224 HydrophobicContact CE2-CG1 4.37Å; Y203-V224 HydrophobicContact CE2-CG2 4.45Å; Y203-V224 HydrophobicContact CG-CG2 4.44Å; Y203-K226 PolarHBondContact OH-NZ 2.92Å
204N75.5Confident75.1Confident52 Ų5276 Ų7628%0.27838%0.38SS..EExtended strand (participates in β ladder)trans-84.4109.5167.9-167.8-43.8000109.3R206 E207 T220 D221N204-R206 PolarHBondContact O-N 3.25Å; N204-R206 VanDerWaalsContact OD1-CB 3.31Å; N204-R206 WeakPolarHBondContact OD1-CB 3.4Å; N204-R206 PolarHBondContact OD1-N 3.39Å; N204-E207 PolarHBondContact O-N 3.47Å; N204-T220 CarbonylContact C-O 3.57Å; N204-T220 WeakPolarHBondContact CA-O 3.32Å; N204-T220 WeakPolarHBondContact OD1-CB 3.24Å; N204-D221 PolarHBondContact ND2-OD1 3.47Å
205L68.6Low73.3Confident12 Ų1280.9 Ų80.96%0.06340%0.404CS..THydrogen-bonded Turntrans-62.9-13.1-177.7-69.2178.6000113.6Y203 E207 K211 A214 T220 V222Y203-L205 PolarHBondContact O-N 2.97Å; L205-E207 VanDerWaalsContact C-N 3.35Å; L205-K211 VanDerWaalsContact O-CG 3.28Å; L205-K211 WeakPolarHBondContact O-CG 3.46Å; L205-A214 HydrophobicContact CB-CB 4.1Å; L205-A214 HydrophobicContact CD1-CB 3.51Å; L205-A214 HydrophobicContact CG-CB 4.42Å; L205-T220 PolarHBondContact N-O 2.98Å; L205-V222 HydrophobicContact CD1-CB 4.34Å; L205-V222 HydrophobicContact CD1-CG2 3.42Å; L205-V222 VanDerWaalsContact CD1-CG2 3.42Å; L205-V222 HydrophobicContact CG-CB 4.38Å; L205-V222 HydrophobicContact CG-CG2 3.92Å
206R63.2Low71.6Confident178 Ų17881.7 Ų81.767%0.67243%0.426SS*.THydrogen-bonded Turntrans-78.4-16.6177-66.5-172.5175.9176.84.9113.9N204 K211 T220N204-R206 PolarHBondContact O-N 3.25Å; N204-R206 VanDerWaalsContact OD1-CB 3.31Å; N204-R206 WeakPolarHBondContact OD1-CB 3.4Å; N204-R206 PolarHBondContact OD1-N 3.39Å; R206-K211 WeakPolarHBondContact O-CD 3.41Å; R206-K211 WeakPolarHBondContact O-CE 3.47Å; R206-K211 PolarHBondContact O-NZ 2.91Å; R206-T220 HydrophobicContact CG-CG2 3.92Å; R206-T220 VanDerWaalsContact NE-CG2 3.27Å
207E61.7Low69.9Low159 Ų15983.3 Ų83.374%0.74343%0.431SS*.THydrogen-bonded Turntrans-102.2-25-174.6-65.5-174.2170.500112.6N204 L205N204-E207 PolarHBondContact O-N 3.47Å; L205-E207 VanDerWaalsContact C-N 3.35Å
208E66.6Low68.2Low73 Ų7388.7 Ų88.734%0.34146%0.457SS..SBendtrans-91.3162.4-171-69.7-70.4175.700113.4Y203 W210 K211Y203-E208 HydrophobicContact CD1-CG 4.1Å; E208-W210 PolarHBondContact O-N 3.28Å; E208-K211 WeakPolarHBondContact O-CE 3.5Å; E208-K211 WeakPolarHBondContact O-CG 3.41Å
209S61.9Low66.7Low90 Ų9088.4 Ų88.463%0.62947%0.466SS*.THydrogen-bonded Turntrans-64.8-8.4178.752.80000114.3
210W65.7Low65.4Low54 Ų5486 Ų8621%0.20546%0.459CS..THydrogen-bonded Turntrans-100.121.9-172.6-28.4103.2000112.6L97 N98 E208 D212 F213L97-W210 VanDerWaalsContact O-CD2 3.27Å; N98-W210 HydrophobicContact CB-CH2 3.59Å; N98-W210 HydrophobicContact CB-CZ2 3.58Å; N98-W210 HydrophobicContact CB-CZ3 4.21Å; E208-W210 PolarHBondContact O-N 3.28Å; W210-D212 PolarHBondContact O-N 3.36Å; W210-D212 VanDerWaalsContact O-N 3.17Å; W210-F213 HydrophobicContact CB-CD2 3.7Å; W210-F213 HydrophobicContact CB-CE2 4.25Å; W210-F213 HydrophobicContact CE3-CE2 4.39Å; W210-F213 WeakPolarHBondContact O-CB 3.36Å; W210-F213 WeakPolarHBondContact O-CD2 3.33Å; W210-F213 PolarHBondContact O-N 2.99Å
211K58.4Low64.7Low110 Ų11085.9 Ų85.948%0.47846%0.462SS..G310 helixtrans-56.1-34.7-175-42.3-163.3-175.2-177.70113.1L205 R206 E208 F213 A214L205-K211 VanDerWaalsContact O-CG 3.28Å; L205-K211 WeakPolarHBondContact O-CG 3.46Å; R206-K211 WeakPolarHBondContact O-CD 3.41Å; R206-K211 WeakPolarHBondContact O-CE 3.47Å; R206-K211 PolarHBondContact O-NZ 2.91Å; E208-K211 WeakPolarHBondContact O-CE 3.5Å; E208-K211 WeakPolarHBondContact O-CG 3.41Å; K211-F213 PolarHBondContact O-N 2.74Å; K211-F213 VanDerWaalsContact O-N 3.14Å; K211-A214 WeakPolarHBondContact O-CB 3.22Å; K211-A214 PolarHBondContact O-N 3.05Å
212D58.6Low64.2Low136 Ų13684 Ų8473%0.72745%0.454SS*.G310 helixtrans-65.4-16.2-179.5-63.5-23.4000112.9W210 A214 I215W210-D212 PolarHBondContact O-N 3.36Å; W210-D212 VanDerWaalsContact O-N 3.17Å; D212-A214 VanDerWaalsContact C-N 3.3Å; D212-I215 VanDerWaalsContact O-CD1 3.26Å; D212-I215 WeakPolarHBondContact O-CD1 3.45Å; D212-I215 VanDerWaalsContact O-CG1 3.28Å; D212-I215 WeakPolarHBondContact O-CG1 3.28Å
213F61.4Low64.2Low70 Ų7082.6 Ų82.631%0.30744%0.441SS..G310 helixtrans-83.5-6.8174.8-60.4-72.7000113.2W210 K211 I215W210-F213 HydrophobicContact CB-CD2 3.7Å; W210-F213 HydrophobicContact CB-CE2 4.25Å; W210-F213 HydrophobicContact CE3-CE2 4.39Å; W210-F213 WeakPolarHBondContact O-CB 3.36Å; W210-F213 WeakPolarHBondContact O-CD2 3.33Å; W210-F213 PolarHBondContact O-N 2.99Å; K211-F213 PolarHBondContact O-N 2.74Å; K211-F213 VanDerWaalsContact O-N 3.14Å; F213-I215 PolarHBondContact O-N 3.19Å; F213-I215 VanDerWaalsContact O-N 3.12Å
214A53.5Low64.7Low37 Ų3780.6 Ų80.631%0.30643%0.433SS..G310 helixtrans-72.77.3178.300000114.7L205 K211 D212 G216 K217L205-A214 HydrophobicContact CB-CB 4.1Å; L205-A214 HydrophobicContact CD1-CB 3.51Å; L205-A214 HydrophobicContact CG-CB 4.42Å; K211-A214 WeakPolarHBondContact O-CB 3.22Å; K211-A214 PolarHBondContact O-N 3.05Å; D212-A214 VanDerWaalsContact C-N 3.3Å; A214-G216 PolarHBondContact O-N 2.95Å; A214-K217 PolarHBondContact O-N 2.93Å
215I50.5Low65.4Low157 Ų15779.2 Ų79.281%0.80543%0.425SS*.THydrogen-bonded Turntrans-61.5103.8-175-59.3163.8000109.6D212 F213D212-I215 VanDerWaalsContact O-CD1 3.26Å; D212-I215 WeakPolarHBondContact O-CD1 3.45Å; D212-I215 VanDerWaalsContact O-CG1 3.28Å; D212-I215 WeakPolarHBondContact O-CG1 3.28Å; F213-I215 PolarHBondContact O-N 3.19Å; F213-I215 VanDerWaalsContact O-N 3.12Å
216G52Low66.5Low76 Ų7680.2 Ų80.278%0.78443%0.429SS*.THydrogen-bonded Turntrans120.80.5167.100000117A214A214-G216 PolarHBondContact O-N 2.95Å
217K53.9Low67.8Low61 Ų6173 Ų7327%0.26541%0.405SS..  trans-117.3123.2173.5-94-174156.3-176.80111.5T158 A214 G219T158-K217 VanDerWaalsContact C-NZ 3.29Å; T158-K217 HydrophobicContact CG2-CD 4.39Å; T158-K217 PolarHBondContact O-NZ 3.12Å; T158-K217 WeakPolarHBondContact OG1-CE 3.47Å; A214-K217 PolarHBondContact O-N 2.93Å; K217-G219 PolarHBondContact O-N 3.46Å
218D57.7Low69.3Low178 Ų17866 Ų6695%0.95237%0.373SS*.SBendtrans-66.1-14.2168.9-74.8-24.3000112.2
219G59.3Low70.4Confident41 Ų4162.9 Ų62.942%0.42336%0.359SS..  trans-86.5132.5174.100000112.6K217 D221K217-G219 PolarHBondContact O-N 3.46Å; G219-D221 VanDerWaalsContact C-N 3.27Å; G219-D221 PolarHBondContact O-N 3.39Å
220T65.2Low71.8Confident42 Ų4262.5 Ų62.526%0.25834%0.344SS..SBendtrans-74.3-19.3178.452.30000113.5N204 L205 R206N204-T220 CarbonylContact C-O 3.57Å; N204-T220 WeakPolarHBondContact CA-O 3.32Å; N204-T220 WeakPolarHBondContact OD1-CB 3.24Å; L205-T220 PolarHBondContact N-O 2.98Å; R206-T220 HydrophobicContact CG-CG2 3.92Å; R206-T220 VanDerWaalsContact NE-CG2 3.27Å
221D75Confident73Confident86 Ų8661.5 Ų61.546%0.4634%0.341SS..EExtended strand (participates in β ladder)trans-107.9124.1-165-65.65.6000110.2T202 Y203 N204 G219T202-D221 HydrophobicContact CG2-CB 3.74Å; Y203-D221 WeakPolarHBondContact O-CA 3.44Å; N204-D221 PolarHBondContact ND2-OD1 3.47Å; G219-D221 VanDerWaalsContact C-N 3.27Å; G219-D221 PolarHBondContact O-N 3.39Å
222V77.7Confident74.5Confident14 Ų1460.5 Ų60.59%0.08533%0.334CS..EExtended strand (participates in β ladder)trans-117.3129.8177.1172.70000109.5A152 T202 Y203 L205 V224A152-V222 HydrophobicContact CB-CG1 3.83Å; T202-V222 WeakPolarHBondContact CA-O 3.24Å; Y203-V222 PolarHBondContact N-O 2.99Å; Y203-V222 PolarHBondContact O-N 3.46Å; L205-V222 HydrophobicContact CD1-CB 4.34Å; L205-V222 HydrophobicContact CD1-CG2 3.42Å; L205-V222 VanDerWaalsContact CD1-CG2 3.42Å; L205-V222 HydrophobicContact CG-CB 4.38Å; L205-V222 HydrophobicContact CG-CG2 3.92Å; V222-V224 HydrophobicContact CG1-CG2 4.11Å; V222-V224 PolarHBondContact O-N 3.4Å
223Q84.2Confident76Confident66 Ų6655.1 Ų55.131%0.30830%0.303SS..EExtended strand (participates in β ladder)trans-73.2124.6170-170.5-174.518.900108.9L163 E200L163-Q223 PolarHBondContact O-NE2 3.16Å; L163-Q223 VanDerWaalsContact O-NE2 3.13Å; E200-Q223 PolarHBondContact OE2-NE2 2.97Å
224V88.4Confident77.3Confident0 Ų058.2 Ų58.20%031%0.313CS..EExtended strand (participates in β ladder)trans-123.8130.5-176.8-1780000108.8L97 L150 L151 A152 E201 Y203 V222L97-V224 HydrophobicContact CD1-CG1 4.26Å; L97-V224 HydrophobicContact CD1-CG2 3.52Å; L150-V224 HydrophobicContact CB-CG1 3.76Å; L150-V224 HydrophobicContact CD2-CG1 4.15Å; L150-V224 HydrophobicContact CG-CG1 4.48Å; L151-V224 CarbonylContact O-C 3.58Å; L151-V224 VanDerWaalsContact O-CA 3.31Å; L151-V224 WeakPolarHBondContact O-CA 3.26Å; L151-V224 WeakPolarHBondContact O-CG1 3.36Å; A152-V224 HydrophobicContact CB-CG2 4.34Å; E201-V224 PolarHBondContact N-O 3.09Å; E201-V224 PolarHBondContact O-N 2.88Å; E201-V224 VanDerWaalsContact O-O 3.12Å; Y203-V224 HydrophobicContact CD2-CB 3.84Å; Y203-V224 HydrophobicContact CD2-CG1 4.36Å; Y203-V224 HydrophobicContact CD2-CG2 3.66Å; Y203-V224 HydrophobicContact CE2-CB 4.21Å; Y203-V224 HydrophobicContact CE2-CG1 4.37Å; Y203-V224 HydrophobicContact CE2-CG2 4.45Å; Y203-V224 HydrophobicContact CG-CG2 4.44Å; V222-V224 HydrophobicContact CG1-CG2 4.11Å; V222-V224 PolarHBondContact O-N 3.4Å
225L90.4Very high79Confident23 Ų2357.3 Ų57.312%0.1230%0.303CS..EExtended strand (participates in β ladder)trans-86.9109.1165.4179.866.6000108.4L151 L163 T165 E200 V227L151-L225 HydrophobicContact CB-CB 4.26Å; L151-L225 HydrophobicContact CD1-CD2 4.38Å; L151-L225 PolarHBondContact N-O 2.89Å; L151-L225 PolarHBondContact O-N 3.07Å; L163-L225 HydrophobicContact CB-CB 3.99Å; L163-L225 HydrophobicContact CD1-CB 3.93Å; T165-L225 HydrophobicContact CG2-CD1 3.84Å; E200-L225 HydrophobicContact CG-CD1 4.39Å; L225-V227 HydrophobicContact CG-CG2 4.33Å
226K91.7Very high80.7Confident33 Ų3354.2 Ų54.214%0.14329%0.293CS..EExtended strand (participates in β ladder)trans-95.7108179.3176.1168.7177174.60110.3P148 L150 Q198 K199 E201 Y203P148-K226 HydrophobicContact CB-CG 4.21Å; L150-K226 HydrophobicContact CD2-CB 3.82Å; L150-K226 HydrophobicContact CD2-CD 3.74Å; L150-K226 HydrophobicContact CD2-CG 3.62Å; Q198-K226 VanDerWaalsContact CA-O 3.3Å; Q198-K226 WeakPolarHBondContact CA-O 3.49Å; K199-K226 HydrophobicContact CG-CB 4.24Å; K199-K226 PolarHBondContact N-O 3.14Å; K199-K226 PolarHBondContact O-N 3.39Å; E201-K226 IonicContact OE1-NZ 3.05Å; E201-K226 WeakPolarHBondContact OE2-CD 3.49Å; E201-K226 IonicContact OE2-NZ 3.99Å; E201-K226 PolarHBondContact OE2-NZ 3.5Å; Y203-K226 PolarHBondContact OH-NZ 2.92Å
227V90.8Very high82.4Confident27 Ų2755 Ų5516%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-96.8113.4172.9-177.40000108.2P148 I149 L151 V196 T197 Q198 L225P148-V227 CarbonylContact C-O 3.57Å; I149-V227 HydrophobicContact CB-CB 4.49Å; I149-V227 PolarHBondContact N-O 2.87Å; I149-V227 PolarHBondContact O-N 3.48Å; L151-V227 HydrophobicContact CD1-CG2 4.32Å; V196-V227 HydrophobicContact CG1-CG1 3.8Å; T197-V227 CarbonylContact O-C 3.6Å; T197-V227 WeakPolarHBondContact O-CA 3.23Å; Q198-V227 HydrophobicContact CB-CG2 4.44Å; L225-V227 HydrophobicContact CG-CG2 4.33Å
228T92.3Very high84.1Confident12 Ų1252.6 Ų52.67%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-104.4119-180-52.60000109.8D146 V196 T197D146-T228 HydrophobicContact CB-CG2 3.78Å; V196-T228 WeakPolarHBondContact CA-O 3.38Å; T197-T228 PolarHBondContact N-O 3.13Å; T197-T228 PolarHBondContact O-N 3.48Å
229V90.4Very high85.5Confident7 Ų753.2 Ų53.24%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-98.8119.3173.8-173.60000108.3C147 L171 I193 V196 F231C147-V229 PolarHBondContact N-O 2.96Å; C147-V229 PolarHBondContact O-N 3.23Å; L171-V229 HydrophobicContact CD2-CG1 3.81Å; L171-V229 HydrophobicContact CD2-CG2 4.2Å; I193-V229 HydrophobicContact CG2-CG1 4.2Å; V196-V229 HydrophobicContact CG1-CG2 4.34Å; V196-V229 HydrophobicContact CG2-CG1 4.23Å; V196-V229 HydrophobicContact CG2-CG2 4.33Å; V229-F231 HydrophobicContact CB-CD2 4.44Å; V229-F231 HydrophobicContact CB-CE2 3.69Å; V229-F231 HydrophobicContact CB-CZ 3.92Å; V229-F231 HydrophobicContact CG1-CD1 4.37Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.77Å; V229-F231 HydrophobicContact CG1-CE2 3.46Å; V229-F231 VanDerWaalsContact CG1-CE2 3.46Å; V229-F231 HydrophobicContact CG1-CZ 3.27Å
230R91.5Very high87Confident82 Ų8259.4 Ų59.431%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-90.4118.7175.7-175.7169.5-71.8170.8-2.4110.2H145 D146 V194 N195H145-R230 WeakPolarHBondContact O-CA 3.41Å; D146-R230 WeakPolarHBondContact OD1-CB 3.38Å; D146-R230 VanDerWaalsContact OD1-CG 3.32Å; D146-R230 WeakPolarHBondContact OD1-CG 3.33Å; D146-R230 IonicContact OD1-CZ 2.93Å; D146-R230 IonicContact OD1-NE 2.97Å; D146-R230 PolarHBondContact OD1-NE 3.01Å; D146-R230 IonicContact OD1-NH2 3.41Å; D146-R230 PolarHBondContact OD1-NH2 3.36Å; D146-R230 IonicContact OD2-CZ 3.53Å; D146-R230 IonicContact OD2-NE 2.87Å; D146-R230 IonicContact OD2-NH2 3.96Å; D146-R230 PolarHBondContact OD2-NH2 2.82Å; V194-R230 HydrophobicContact CB-CB 4.26Å; V194-R230 HydrophobicContact CB-CG 3.96Å; V194-R230 HydrophobicContact CG2-CG 4.26Å; V194-R230 PolarHBondContact N-O 2.78Å; N195-R230 PolarHBondContact O-N 3.2Å; N195-R230 WeakPolarHBondContact OD1-CB 3.48Å
231F89.3Confident88.2Confident33 Ų3361 Ų6115%0.14528%0.276CS..EExtended strand (participates in β ladder)trans-105140.8175.1-61.5-81.7000110.6M54 E144 H145 C147 W191 E192 I193 V229M54-F231 HydrophobicContact SD-CD2 4.5Å; M54-F231 HydrophobicContact SD-CE2 3.41Å; M54-F231 WeakPolarHBondContact SD-CE2 3.45Å; M54-F231 HydrophobicContact SD-CZ 3.65Å; E144-F231 CarbonylContact C-O 3.46Å; E144-F231 VanDerWaalsContact CA-O 3.24Å; E144-F231 WeakPolarHBondContact CA-O 3.22Å; H145-F231 PolarHBondContact N-O 2.87Å; H145-F231 PolarHBondContact O-N 2.67Å; C147-F231 HydrophobicContact CB-CD2 4.25Å; C147-F231 HydrophobicContact CB-CE2 4.04Å; W191-F231 HydrophobicContact CE3-CB 3.93Å; W191-F231 HydrophobicContact CZ3-CB 4.28Å; E192-F231 CarbonylContact O-C 3.58Å; E192-F231 WeakPolarHBondContact O-CA 3.22Å; I193-F231 HydrophobicContact CD1-CE1 4.47Å; I193-F231 HydrophobicContact CG1-CD1 3.99Å; I193-F231 HydrophobicContact CG1-CE1 3.78Å; V229-F231 HydrophobicContact CB-CD2 4.44Å; V229-F231 HydrophobicContact CB-CE2 3.69Å; V229-F231 HydrophobicContact CB-CZ 3.92Å; V229-F231 HydrophobicContact CG1-CD1 4.37Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.77Å; V229-F231 HydrophobicContact CG1-CE2 3.46Å; V229-F231 VanDerWaalsContact CG1-CE2 3.46Å; V229-F231 HydrophobicContact CG1-CZ 3.27Å
232R90.8Very high88.8Confident90 Ų9057.8 Ų57.834%0.3426%0.26SS..EExtended strand (participates in β ladder)trans-116.6131168.9176.3-176.9-67.1152-1.3109.2E144 E192 V194E144-R232 HydrophobicContact CG-CB 4Å; E144-R232 HydrophobicContact CG-CG 4.01Å; E144-R232 IonicContact OE1-CZ 2.61Å; E144-R232 IonicContact OE1-NE 3.65Å; E144-R232 PolarHBondContact OE1-NE 3.39Å; E144-R232 IonicContact OE1-NH2 2.81Å; E144-R232 PolarHBondContact OE1-NH2 3.47Å; E192-R232 PolarHBondContact N-O 2.88Å; E192-R232 PolarHBondContact O-N 3.36Å; E192-R232 IonicContact OE2-NH1 3.96Å; V194-R232 HydrophobicContact CG2-CB 3.46Å; V194-R232 VanDerWaalsContact CG2-CB 3.46Å
233R89.3Confident89.3Confident22 Ų2260.5 Ų60.58%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-73.3130.2171.8-166.1-178.9-56.7-88.11.2110D143 W191 I235D143-R233 VanDerWaalsContact CG-NE 3.29Å; D143-R233 PolarHBondContact O-N 3.49Å; D143-R233 VanDerWaalsContact OD1-CB 3.24Å; D143-R233 WeakPolarHBondContact OD1-CB 3.33Å; D143-R233 WeakPolarHBondContact OD1-CD 3.46Å; D143-R233 IonicContact OD1-CZ 3.15Å; D143-R233 IonicContact OD1-NE 3.55Å; D143-R233 PolarHBondContact OD1-NE 2.97Å; D143-R233 IonicContact OD2-CZ 3.89Å; D143-R233 IonicContact OD2-NE 2.78Å; D143-R233 PolarHBondContact OD2-NE 2.86Å; D143-R233 IonicContact OD2-NH2 3.82Å; D143-R233 PolarHBondContact OD2-NH2 3.41Å; W191-R233 HydrophobicContact CE3-CB 4Å; W191-R233 HydrophobicContact CH2-CB 4.23Å; W191-R233 HydrophobicContact CZ3-CB 3.7Å; W191-R233 HydrophobicContact CZ3-CG 4.37Å; R233-I235 HydrophobicContact CG-CD1 4.02Å; R233-I235 HydrophobicContact CG-CG1 3.95Å
234R88.7Confident89.6Confident135 Ų13561.7 Ų61.751%0.50928%0.284SS..  trans-132.292.1-178.9-169.9173.2177.5-176-2.9110.4Q190 E192 P236Q190-R234 PolarHBondContact O-N 2.93Å; E192-R234 HydrophobicContact CB-CB 4.49Å; E192-R234 IonicContact OE1-CZ 2.72Å; E192-R234 IonicContact OE1-NH1 3.51Å; E192-R234 PolarHBondContact OE1-NH1 2.87Å; R234-P236 VanDerWaalsContact O-CD 3.23Å; R234-P236 WeakPolarHBondContact O-CD 3.43Å
235I89.3Confident89.8Confident18 Ų1863.8 Ų63.89%0.09230%0.298CS..  trans-111.481.5176.2-51.9175000109.2Y140 P141 Q190 R233 H237 F238Y140-I235 HydrophobicContact CE2-CD1 4.17Å; P141-I235 HydrophobicContact CB-CD1 4.3Å; Q190-I235 HydrophobicContact CB-CG1 4.12Å; Q190-I235 HydrophobicContact CG-CG1 4.21Å; R233-I235 HydrophobicContact CG-CD1 4.02Å; R233-I235 HydrophobicContact CG-CG1 3.95Å; I235-H237 VanDerWaalsContact CG2-CE1 3.44Å; I235-H237 WeakPolarHBondContact CG2-CE1 3.49Å; I235-H237 VanDerWaalsContact CG2-NE2 3.32Å; I235-H237 WeakPolarHBondContact CG2-NE2 3.39Å; I235-H237 PolarHBondContact O-N 3.28Å; I235-F238 HydrophobicContact CB-CB 4.06Å; I235-F238 HydrophobicContact CG2-CB 3.73Å; I235-F238 VanDerWaalsContact O-CB 3.24Å; I235-F238 WeakPolarHBondContact O-CB 3.45Å; I235-F238 PolarHBondContact O-N 3.03Å; I235-F238 VanDerWaalsContact O-N 3.13Å
236P86.5Confident89.7Confident92 Ų9265.1 Ų65.160%0.59731%0.312SS*.THydrogen-bonded Turntrans-64.4-29.4-173.525.6-34.5000113.1R234 F238R234-P236 VanDerWaalsContact O-CD 3.23Å; R234-P236 WeakPolarHBondContact O-CD 3.43Å; P236-F238 VanDerWaalsContact C-N 3.3Å; P236-F238 PolarHBondContact O-N 3.26Å
237H88.9Confident89.7Confident92 Ų9266 Ų6643%0.42633%0.326SS..THydrogen-bonded Turntrans-76.9-14179.354.8-89.6000113.4I235 R239 Y240 T241I235-H237 VanDerWaalsContact CG2-CE1 3.44Å; I235-H237 WeakPolarHBondContact CG2-CE1 3.49Å; I235-H237 VanDerWaalsContact CG2-NE2 3.32Å; I235-H237 WeakPolarHBondContact CG2-NE2 3.39Å; I235-H237 PolarHBondContact O-N 3.28Å; H237-R239 PolarHBondContact O-N 2.79Å; H237-R239 VanDerWaalsContact O-N 3.14Å; H237-Y240 PolarHBondContact O-N 3.46Å; H237-T241 HydrophobicContact CB-CG2 4.24Å; H237-T241 PolarHBondContact O-N 3.28Å; H237-T241 PolarHBondContact O-OG1 2.95Å; H237-T241 VanDerWaalsContact O-OG1 3.06Å
238F89.1Confident89.8Confident11 Ų1167.6 Ų67.65%0.04834%0.335CS..Hα-helixtrans-54.7-38.4-176.8-173.2-87.8000112.8Y140 P141 I235 P236 Y240 V242 V243 I298Y140-F238 HydrophobicContact CE1-CD2 4.41Å; Y140-F238 AromaticContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CZ 4.08Å; P141-F238 HydrophobicContact CB-CD1 4.25Å; P141-F238 HydrophobicContact CB-CD2 3.94Å; P141-F238 HydrophobicContact CB-CE1 4.45Å; P141-F238 HydrophobicContact CB-CE2 4.18Å; P141-F238 HydrophobicContact CB-CG 3.97Å; P141-F238 HydrophobicContact CB-CZ 4.41Å; P141-F238 HydrophobicContact CG-CB 4.38Å; P141-F238 HydrophobicContact CG-CD1 3.57Å; P141-F238 HydrophobicContact CG-CD2 4.18Å; P141-F238 HydrophobicContact CG-CE1 3.77Å; P141-F238 HydrophobicContact CG-CE2 4.37Å; P141-F238 HydrophobicContact CG-CG 3.77Å; P141-F238 HydrophobicContact CG-CZ 4.17Å; I235-F238 HydrophobicContact CB-CB 4.06Å; I235-F238 HydrophobicContact CG2-CB 3.73Å; I235-F238 VanDerWaalsContact O-CB 3.24Å; I235-F238 WeakPolarHBondContact O-CB 3.45Å; I235-F238 PolarHBondContact O-N 3.03Å; I235-F238 VanDerWaalsContact O-N 3.13Å; P236-F238 VanDerWaalsContact C-N 3.3Å; P236-F238 PolarHBondContact O-N 3.26Å; F238-Y240 VanDerWaalsContact C-N 3.29Å; F238-Y240 PolarHBondContact O-N 3.49Å; F238-V242 HydrophobicContact CD1-CB 4.27Å; F238-V242 HydrophobicContact CD2-CB 4.24Å; F238-V242 HydrophobicContact CD2-CG2 3.77Å; F238-V242 HydrophobicContact CE1-CB 4.01Å; F238-V242 HydrophobicContact CE1-CG1 4.07Å; F238-V242 HydrophobicContact CE2-CB 3.96Å; F238-V242 HydrophobicContact CE2-CG1 4.09Å; F238-V242 HydrophobicContact CE2-CG2 3.64Å; F238-V242 HydrophobicContact CG-CB 4.39Å; F238-V242 HydrophobicContact CG-CG2 4.28Å; F238-V242 HydrophobicContact CZ-CB 3.86Å; F238-V242 HydrophobicContact CZ-CG1 3.68Å; F238-V242 HydrophobicContact CZ-CG2 4.07Å; F238-V242 WeakPolarHBondContact O-CB 3.49Å; F238-V242 PolarHBondContact O-N 3.39Å; F238-V243 HydrophobicContact CD1-CG2 3.98Å; F238-V243 HydrophobicContact CE1-CG2 3.82Å; F238-V243 PolarHBondContact O-N 2.99Å; F238-I298 HydrophobicContact CE1-CD1 3.45Å; F238-I298 VanDerWaalsContact CE1-CD1 3.45Å; F238-I298 HydrophobicContact CE1-CG1 4.4Å; F238-I298 HydrophobicContact CZ-CD1 3.48Å; F238-I298 VanDerWaalsContact CZ-CD1 3.48Å; F238-I298 HydrophobicContact CZ-CG1 3.95Å
239R87.6Confident89.7Confident192 Ų19267.2 Ų67.273%0.72533%0.333SS*.Iπ-helixtrans-60.3-40.1176.6-68.3-175.3178.5-173.3-0.7112.1H237 V243 L244H237-R239 PolarHBondContact O-N 2.79Å; H237-R239 VanDerWaalsContact O-N 3.14Å; R239-V243 WeakPolarHBondContact O-CB 3.4Å; R239-L244 WeakPolarHBondContact O-CB 3.21Å; R239-L244 PolarHBondContact O-N 2.89Å
240Y90.4Very high89.6Confident171 Ų17169.1 Ų69.167%0.67135%0.35SS*.Iπ-helixtrans-86.8-28.4-176.8-60-68.3000113.1H237 F238 L244 P245H237-Y240 PolarHBondContact O-N 3.46Å; F238-Y240 VanDerWaalsContact C-N 3.29Å; F238-Y240 PolarHBondContact O-N 3.49Å; Y240-L244 HydrophobicContact CD1-CD2 4.48Å; Y240-P245 WeakPolarHBondContact O-CD 3.4Å
241T89Confident89.5Confident74 Ų7468.9 Ų68.945%0.45436%0.358SS..Iπ-helixtrans-93.8-24.3-176.8580000113.7H237 P245H237-T241 HydrophobicContact CB-CG2 4.24Å; H237-T241 PolarHBondContact O-N 3.28Å; H237-T241 PolarHBondContact O-OG1 2.95Å; H237-T241 VanDerWaalsContact O-OG1 3.06Å; T241-P245 WeakPolarHBondContact O-CG 3.44Å
242V88.1Confident89.5Confident19 Ų1972.5 Ų72.512%0.11537%0.374CS..Iπ-helixtrans-118.3-59.6-175.8-179.30000111.3F238 P245 A246 L284F238-V242 HydrophobicContact CD1-CB 4.27Å; F238-V242 HydrophobicContact CD2-CB 4.24Å; F238-V242 HydrophobicContact CD2-CG2 3.77Å; F238-V242 HydrophobicContact CE1-CB 4.01Å; F238-V242 HydrophobicContact CE1-CG1 4.07Å; F238-V242 HydrophobicContact CE2-CB 3.96Å; F238-V242 HydrophobicContact CE2-CG1 4.09Å; F238-V242 HydrophobicContact CE2-CG2 3.64Å; F238-V242 HydrophobicContact CG-CB 4.39Å; F238-V242 HydrophobicContact CG-CG2 4.28Å; F238-V242 HydrophobicContact CZ-CB 3.86Å; F238-V242 HydrophobicContact CZ-CG1 3.68Å; F238-V242 HydrophobicContact CZ-CG2 4.07Å; F238-V242 WeakPolarHBondContact O-CB 3.49Å; F238-V242 PolarHBondContact O-N 3.39Å; V242-P245 WeakPolarHBondContact O-CD 3.32Å; V242-A246 WeakPolarHBondContact O-CB 3.17Å; V242-A246 PolarHBondContact O-N 3.37Å; V242-A246 VanDerWaalsContact O-N 3.14Å; V242-L284 HydrophobicContact CB-CD2 4.14Å; V242-L284 HydrophobicContact CG1-CD1 3.79Å; V242-L284 HydrophobicContact CG1-CD2 3.49Å; V242-L284 VanDerWaalsContact CG1-CD2 3.49Å; V242-L284 HydrophobicContact CG1-CG 4.26Å; V242-L284 HydrophobicContact CG2-CD2 3.55Å
243V88.9Confident89.3Confident71 Ų7170.5 Ų70.543%0.4337%0.369SS..Iπ-helixtrans-66.2-45.1-172.7-178.30000111.2F238 R239 A246 A247F238-V243 HydrophobicContact CD1-CG2 3.98Å; F238-V243 HydrophobicContact CE1-CG2 3.82Å; F238-V243 PolarHBondContact O-N 2.99Å; R239-V243 WeakPolarHBondContact O-CB 3.4Å; V243-A246 PolarHBondContact O-N 3.14Å; V243-A247 WeakPolarHBondContact O-CB 3.29Å; V243-A247 PolarHBondContact O-N 2.87Å
244L91Very high89.2Confident92 Ų9274.1 Ų74.148%0.48239%0.394SS..Hα-helixtrans-64.5-50.7-178.917768.8000112.7R239 Y240 A246 A247 V248R239-L244 WeakPolarHBondContact O-CB 3.21Å; R239-L244 PolarHBondContact O-N 2.89Å; Y240-L244 HydrophobicContact CD1-CD2 4.48Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 3.03Å; L244-A247 PolarHBondContact O-N 3.48Å; L244-V248 HydrophobicContact CD1-CG2 4.23Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.44Å; L244-V248 PolarHBondContact O-N 2.91Å
245P90.9Very high89.1Confident43 Ų4372.5 Ų72.528%0.27940%0.399SS..Hα-helixtrans-59.2-39.3174.7-28.437.4000113.7Y240 T241 V242 V248 A249 L280Y240-P245 WeakPolarHBondContact O-CD 3.4Å; T241-P245 WeakPolarHBondContact O-CG 3.44Å; V242-P245 WeakPolarHBondContact O-CD 3.32Å; P245-V248 PolarHBondContact O-N 3.23Å; P245-A249 WeakPolarHBondContact O-CB 3.3Å; P245-A249 PolarHBondContact O-N 3.24Å; P245-L280 HydrophobicContact CB-CD1 4.15Å
246A89.5Confident88.9Confident52 Ų5272.1 Ų72.143%0.4340%0.398SS..Hα-helixtrans-64.1-44.4176.300000111.9V242 V243 L244 A249 A250V242-A246 WeakPolarHBondContact O-CB 3.17Å; V242-A246 PolarHBondContact O-N 3.37Å; V242-A246 VanDerWaalsContact O-N 3.14Å; V243-A246 PolarHBondContact O-N 3.14Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 3.03Å; A246-A249 PolarHBondContact O-N 3.25Å; A246-A250 WeakPolarHBondContact O-CB 3.33Å; A246-A250 PolarHBondContact O-N 3.28Å
247A91.6Very high88.7Confident51 Ų5174.9 Ų74.942%0.42141%0.405SS..Hα-helixtrans-62.2-44.1175.500000111.7V243 L244 A250 T251V243-A247 WeakPolarHBondContact O-CB 3.29Å; V243-A247 PolarHBondContact O-N 2.87Å; L244-A247 PolarHBondContact O-N 3.48Å; A247-A250 PolarHBondContact O-N 2.87Å; A247-T251 WeakPolarHBondContact O-CG2 3.49Å; A247-T251 PolarHBondContact O-N 3.35Å; A247-T251 PolarHBondContact O-OG1 3.39Å
248V92.1Very high88.5Confident61 Ų6177.8 Ų77.837%0.3741%0.413SS..Hα-helixtrans-60.4-48.1175.5170.60000110.6L244 P245 A250 T251 F252L244-V248 HydrophobicContact CD1-CG2 4.23Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.44Å; L244-V248 PolarHBondContact O-N 2.91Å; P245-V248 PolarHBondContact O-N 3.23Å; V248-A250 VanDerWaalsContact C-N 3.31Å; V248-A250 PolarHBondContact O-N 2.9Å; V248-T251 WeakPolarHBondContact CA-OG1 3.35Å; V248-T251 PolarHBondContact O-N 2.93Å; V248-T251 VanDerWaalsContact O-N 3.15Å; V248-T251 PolarHBondContact O-OG1 3.06Å; V248-F252 HydrophobicContact CG1-CD2 3.74Å; V248-F252 HydrophobicContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact O-CD2 3.23Å; V248-F252 WeakPolarHBondContact O-CD2 3.3Å; V248-F252 PolarHBondContact O-N 3.18Å
249A90.6Very high87.7Confident3 Ų383.2 Ų83.23%0.02545%0.45CS..Hα-helixtrans-61.2-38.4177.400000112.5P245 A246 F252 N253 N273 Q277P245-A249 WeakPolarHBondContact O-CB 3.3Å; P245-A249 PolarHBondContact O-N 3.24Å; A246-A249 PolarHBondContact O-N 3.25Å; A249-F252 PolarHBondContact O-N 3.18Å; A249-N253 PolarHBondContact O-N 2.9Å; A249-N253 VanDerWaalsContact O-N 3.15Å; A249-N273 WeakPolarHBondContact CB-OD1 3.27Å; A249-N273 PolarHBondContact O-ND2 2.92Å; A249-Q277 HydrophobicContact CB-CG 3.9Å
250A89Confident87.1Confident48 Ų4878.7 Ų78.740%0.39745%0.448SS..Hα-helixtrans-65.3-41.2174.400000112A246 A247 V248 F252 N253 T254A246-A250 WeakPolarHBondContact O-CB 3.33Å; A246-A250 PolarHBondContact O-N 3.28Å; A247-A250 PolarHBondContact O-N 2.87Å; V248-A250 VanDerWaalsContact C-N 3.31Å; V248-A250 PolarHBondContact O-N 2.9Å; A250-F252 PolarHBondContact O-N 3.27Å; A250-N253 WeakPolarHBondContact O-CB 3.33Å; A250-N253 PolarHBondContact O-N 3.45Å; A250-T254 PolarHBondContact O-N 3.14Å; A250-T254 VanDerWaalsContact O-N 3.11Å
251T90.2Very high86.3Confident77 Ų7772.6 Ų72.647%0.47243%0.43SS..Hα-helixtrans-62.7-41.3174.959.70000112A247 V248 N253 T254 V255A247-T251 WeakPolarHBondContact O-CG2 3.49Å; A247-T251 PolarHBondContact O-N 3.35Å; A247-T251 PolarHBondContact O-OG1 3.39Å; V248-T251 WeakPolarHBondContact CA-OG1 3.35Å; V248-T251 PolarHBondContact O-N 2.93Å; V248-T251 VanDerWaalsContact O-N 3.15Å; V248-T251 PolarHBondContact O-OG1 3.06Å; T251-N253 VanDerWaalsContact C-N 3.29Å; T251-N253 PolarHBondContact O-N 2.73Å; T251-T254 PolarHBondContact O-N 3.4Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 2.98Å; T251-V255 WeakPolarHBondContact O-CG2 3.34Å; T251-V255 PolarHBondContact O-N 3.27Å
252F88.6Confident86.1Confident109 Ų10975.1 Ų75.148%0.47844%0.441SS..Hα-helixtrans-58.4-39.6174-84.6-70.8000112.6V248 A249 A250 V255 A256V248-F252 HydrophobicContact CG1-CD2 3.74Å; V248-F252 HydrophobicContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact O-CD2 3.23Å; V248-F252 WeakPolarHBondContact O-CD2 3.3Å; V248-F252 PolarHBondContact O-N 3.18Å; A249-F252 PolarHBondContact O-N 3.18Å; A250-F252 PolarHBondContact O-N 3.27Å; F252-V255 PolarHBondContact O-N 2.95Å; F252-A256 WeakPolarHBondContact O-CB 3.45Å; F252-A256 PolarHBondContact O-N 2.89Å
253N87.3Confident85.9Confident47 Ų4781.8 Ų81.825%0.25147%0.469SS..Hα-helixtrans-61.9-45.9174.7-73.9-20.4000111.7A249 A250 T251 A256 M257 L270 N273 Q277A249-N253 PolarHBondContact O-N 2.9Å; A249-N253 VanDerWaalsContact O-N 3.15Å; A250-N253 WeakPolarHBondContact O-CB 3.33Å; A250-N253 PolarHBondContact O-N 3.45Å; T251-N253 VanDerWaalsContact C-N 3.29Å; T251-N253 PolarHBondContact O-N 2.73Å; N253-A256 PolarHBondContact O-N 3.24Å; N253-M257 WeakPolarHBondContact O-CG 3.32Å; N253-M257 PolarHBondContact O-N 2.91Å; N253-L270 WeakPolarHBondContact OD1-CD2 3.38Å; N253-N273 VanDerWaalsContact CG-ND2 3.34Å; N253-N273 PolarHBondContact OD1-ND2 2.93Å; N253-Q277 PolarHBondContact ND2-NE2 3.34Å; N253-Q277 VanDerWaalsContact ND2-NE2 3.17Å
254T87Confident85.7Confident98 Ų9884 Ų8460%0.60148%0.477SS*.Hα-helixtrans-65.3-39.9179.261.30000112.9A250 T251 M257A250-T254 PolarHBondContact O-N 3.14Å; A250-T254 VanDerWaalsContact O-N 3.11Å; T251-T254 PolarHBondContact O-N 3.4Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 2.98Å; T254-M257 PolarHBondContact O-N 3.48Å
255V86.8Confident85.4Confident101 Ų10184.6 Ų84.661%0.61248%0.481SS*.Hα-helixtrans-69.3-38.6179.6172.70000111.3T251 F252 M257 Y258T251-V255 WeakPolarHBondContact O-CG2 3.34Å; T251-V255 PolarHBondContact O-N 3.27Å; F252-V255 PolarHBondContact O-N 2.95Å; V255-M257 VanDerWaalsContact C-N 3.26Å; V255-M257 PolarHBondContact O-N 3.43Å; V255-Y258 VanDerWaalsContact O-CB 3.31Å; V255-Y258 WeakPolarHBondContact O-CB 3.36Å; V255-Y258 PolarHBondContact O-N 2.88Å
256A84.6Confident85.2Confident10 Ų1083.7 Ų83.78%0.08347%0.474CS..Hα-helixtrans-64.5-30.4178.700000112.9F252 N253 Y258 S261 T266 V269 L270F252-A256 WeakPolarHBondContact O-CB 3.45Å; F252-A256 PolarHBondContact O-N 2.89Å; N253-A256 PolarHBondContact O-N 3.24Å; A256-Y258 VanDerWaalsContact C-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.34Å; A256-S261 PolarHBondContact O-OG 3.2Å; A256-T266 HydrophobicContact CB-CG2 4.44Å; A256-T266 WeakPolarHBondContact O-CG2 3.43Å; A256-V269 HydrophobicContact CB-CB 4.38Å; A256-V269 HydrophobicContact CB-CG1 4.03Å; A256-L270 HydrophobicContact CB-CD2 3.69Å; A256-L270 HydrophobicContact CB-CG 3.94Å
257M82.5Confident85Confident150 Ų15085.2 Ų85.274%0.73948%0.475SS*.THydrogen-bonded Turntrans-82.87.7178.2-63.5-170.186.300114.1N253 T254 V255N253-M257 WeakPolarHBondContact O-CG 3.32Å; N253-M257 PolarHBondContact O-N 2.91Å; T254-M257 PolarHBondContact O-N 3.48Å; V255-M257 VanDerWaalsContact C-N 3.26Å; V255-M257 PolarHBondContact O-N 3.43Å
258Y84.9Confident84.8Confident153 Ų15389 Ų8960%0.649%0.485SS*.  trans-62.6135.4178.5-171.8-102.7000111.4V255 A256 S260 S261V255-Y258 VanDerWaalsContact O-CB 3.31Å; V255-Y258 WeakPolarHBondContact O-CB 3.36Å; V255-Y258 PolarHBondContact O-N 2.88Å; A256-Y258 VanDerWaalsContact C-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.34Å; Y258-S260 VanDerWaalsContact CD1-OG 3.22Å; Y258-S260 WeakPolarHBondContact CD1-OG 3.42Å; Y258-S260 VanDerWaalsContact CE1-OG 3.25Å; Y258-S260 WeakPolarHBondContact CE1-OG 3.35Å; Y258-S260 PolarHBondContact O-N 3.17Å; Y258-S261 PolarHBondContact O-N 3.45Å; Y258-S261 VanDerWaalsContact O-N 3.07Å; Y258-S261 PolarHBondContact O-OG 3.48Å
259P71.8Confident84.5Confident126 Ų12688.7 Ų88.782%0.81848%0.483SS*.THydrogen-bonded Turntrans-60.7-16.8-164.8-25.734.1000116.8
260S74.8Confident84.5Confident96 Ų9691 Ų9167%0.67150%0.495SS*.THydrogen-bonded Turntrans-95.57.5-179.472.70000114.2Y258Y258-S260 VanDerWaalsContact CD1-OG 3.22Å; Y258-S260 WeakPolarHBondContact CD1-OG 3.42Å; Y258-S260 VanDerWaalsContact CE1-OG 3.25Å; Y258-S260 WeakPolarHBondContact CE1-OG 3.35Å; Y258-S260 PolarHBondContact O-N 3.17Å
261S74.3Confident84.5Confident44 Ų4495 Ų9531%0.30850%0.504SS..  trans-81.9134-176.564.60000112.4A256 Y258 F263 T266A256-S261 PolarHBondContact O-OG 3.2Å; Y258-S261 PolarHBondContact O-N 3.45Å; Y258-S261 VanDerWaalsContact O-N 3.07Å; Y258-S261 PolarHBondContact O-OG 3.48Å; S261-F263 PolarHBondContact O-N 3.11Å; S261-T266 WeakPolarHBondContact CB-OG1 3.42Å; S261-T266 PolarHBondContact OG-OG1 3.39Å
262N83.5Confident84.6Confident126 Ų12694.7 Ų94.767%0.67450%0.503SS*.  trans-63.8133.5172.1-75.8-38.1000109.8L264 L265 T266N262-L264 PolarHBondContact O-N 3.15Å; N262-L264 VanDerWaalsContact O-N 3.1Å; N262-L265 HydrophobicContact CB-CB 4.32Å; N262-L265 WeakPolarHBondContact O-CB 3.49Å; N262-L265 PolarHBondContact O-N 2.91Å; N262-T266 PolarHBondContact O-N 3.37Å; N262-T266 PolarHBondContact O-OG1 3.41Å
263F85.3Confident84.7Confident159 Ų15990.2 Ų90.270%0.69748%0.484SS*.Hα-helixtrans-48.6-43.3-179.2179-105.3000113.6S261 L265 T266 L267S261-F263 PolarHBondContact O-N 3.11Å; F263-L265 PolarHBondContact O-N 2.89Å; F263-T266 PolarHBondContact O-N 3.28Å; F263-L267 HydrophobicContact CD1-CD1 4.03Å; F263-L267 HydrophobicContact CE1-CD1 3.38Å; F263-L267 HydrophobicContact CE1-CG 4.17Å; F263-L267 HydrophobicContact CE2-CD1 4.38Å; F263-L267 HydrophobicContact CE2-CG 4.39Å; F263-L267 HydrophobicContact CZ-CD1 3.6Å; F263-L267 HydrophobicContact CZ-CD2 4.35Å; F263-L267 HydrophobicContact CZ-CG 4.07Å; F263-L267 PolarHBondContact O-N 2.73Å
264L84.7Confident85Confident117 Ų11792.5 Ų92.561%0.61350%0.495SS*.Hα-helixtrans-63.4-41.6178.9-174.665.5000112.4N262 T266 L267 M268N262-L264 PolarHBondContact O-N 3.15Å; N262-L264 VanDerWaalsContact O-N 3.1Å; L264-T266 VanDerWaalsContact C-N 3.35Å; L264-L267 PolarHBondContact O-N 2.67Å; L264-M268 HydrophobicContact CD1-CE 4.27Å; L264-M268 VanDerWaalsContact O-CG 3.23Å; L264-M268 WeakPolarHBondContact O-CG 3.5Å; L264-M268 PolarHBondContact O-N 3.31Å; L264-M268 VanDerWaalsContact O-N 3.09Å
265L83.8Confident85.2Confident106 Ų10692.1 Ų92.156%0.55549%0.49SS*.Hα-helixtrans-66.3-41.4178.6-177.466.2000110.5N262 F263 L267 M268 V269N262-L265 HydrophobicContact CB-CB 4.32Å; N262-L265 WeakPolarHBondContact O-CB 3.49Å; N262-L265 PolarHBondContact O-N 2.91Å; F263-L265 PolarHBondContact O-N 2.89Å; L265-L267 PolarHBondContact O-N 3.48Å; L265-M268 PolarHBondContact O-N 3.48Å; L265-V269 WeakPolarHBondContact O-CG2 3.35Å; L265-V269 PolarHBondContact O-N 3.3Å; L265-V269 VanDerWaalsContact O-N 3.11Å
266T86.6Confident85.4Confident23 Ų2391.7 Ų91.714%0.14148%0.483CS..Hα-helixtrans-59.2-45.6176.9-52.70000111.5A256 S261 N262 F263 L264 M268 V269 L270A256-T266 HydrophobicContact CB-CG2 4.44Å; A256-T266 WeakPolarHBondContact O-CG2 3.43Å; S261-T266 WeakPolarHBondContact CB-OG1 3.42Å; S261-T266 PolarHBondContact OG-OG1 3.39Å; N262-T266 PolarHBondContact O-N 3.37Å; N262-T266 PolarHBondContact O-OG1 3.41Å; F263-T266 PolarHBondContact O-N 3.28Å; L264-T266 VanDerWaalsContact C-N 3.35Å; T266-M268 PolarHBondContact O-N 3.35Å; T266-V269 PolarHBondContact O-N 2.88Å; T266-L270 HydrophobicContact CG2-CD1 3.65Å; T266-L270 HydrophobicContact CG2-CG 4.23Å; T266-L270 WeakPolarHBondContact O-CB 3.37Å; T266-L270 VanDerWaalsContact O-CG 3.31Å; T266-L270 WeakPolarHBondContact O-CG 3.48Å; T266-L270 PolarHBondContact O-N 2.9Å
267L85.9Confident85.7Confident85 Ų8593.6 Ų93.645%0.44549%0.491SS..Hα-helixtrans-62.6-42.5175.6-72.8-179.4000112.8F263 L264 L265 V269 L270 F271F263-L267 HydrophobicContact CD1-CD1 4.03Å; F263-L267 HydrophobicContact CE1-CD1 3.38Å; F263-L267 HydrophobicContact CE1-CG 4.17Å; F263-L267 HydrophobicContact CE2-CD1 4.38Å; F263-L267 HydrophobicContact CE2-CG 4.39Å; F263-L267 HydrophobicContact CZ-CD1 3.6Å; F263-L267 HydrophobicContact CZ-CD2 4.35Å; F263-L267 HydrophobicContact CZ-CG 4.07Å; F263-L267 PolarHBondContact O-N 2.73Å; L264-L267 PolarHBondContact O-N 2.67Å; L265-L267 PolarHBondContact O-N 3.48Å; L267-V269 PolarHBondContact O-N 2.99Å; L267-L270 PolarHBondContact O-N 2.91Å; L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.28Å; L267-F271 VanDerWaalsContact O-N 3.13Å
268M86.3Confident86.1Confident131 Ų13190 Ų9065%0.64548%0.479SS*.Hα-helixtrans-65-25.3-180-70.3-67.4-172.200113L264 L265 T266 P272L264-M268 HydrophobicContact CD1-CE 4.27Å; L264-M268 VanDerWaalsContact O-CG 3.23Å; L264-M268 WeakPolarHBondContact O-CG 3.5Å; L264-M268 PolarHBondContact O-N 3.31Å; L264-M268 VanDerWaalsContact O-N 3.09Å; L265-M268 PolarHBondContact O-N 3.48Å; T266-M268 PolarHBondContact O-N 3.35Å; M268-P272 WeakPolarHBondContact O-CD 3.23Å; M268-P272 VanDerWaalsContact O-CG 3.26Å; M268-P272 WeakPolarHBondContact O-CG 3.48Å
269V86.5Confident86.4Confident53 Ų5387.4 Ų87.432%0.32148%0.479SS..Hα-helixtrans-89-45.9176.4175.10000111.6A256 L265 T266 L267 N273A256-V269 HydrophobicContact CB-CB 4.38Å; A256-V269 HydrophobicContact CB-CG1 4.03Å; L265-V269 WeakPolarHBondContact O-CG2 3.35Å; L265-V269 PolarHBondContact O-N 3.3Å; L265-V269 VanDerWaalsContact O-N 3.11Å; T266-V269 PolarHBondContact O-N 2.88Å; L267-V269 PolarHBondContact O-N 2.99Å; V269-N273 WeakPolarHBondContact O-CB 3.31Å; V269-N273 PolarHBondContact O-N 3.34Å
270L89.8Confident87.1Confident51 Ų5183.8 Ų83.827%0.26745%0.453SS..Hα-helixtrans-69.4-39.1-173.5-70.6179.1000112.8N253 A256 T266 L267 N273 L274N253-L270 WeakPolarHBondContact OD1-CD2 3.38Å; A256-L270 HydrophobicContact CB-CD2 3.69Å; A256-L270 HydrophobicContact CB-CG 3.94Å; T266-L270 HydrophobicContact CG2-CD1 3.65Å; T266-L270 HydrophobicContact CG2-CG 4.23Å; T266-L270 WeakPolarHBondContact O-CB 3.37Å; T266-L270 VanDerWaalsContact O-CG 3.31Å; T266-L270 WeakPolarHBondContact O-CG 3.48Å; T266-L270 PolarHBondContact O-N 2.9Å; L267-L270 PolarHBondContact O-N 2.91Å; L270-N273 PolarHBondContact O-N 2.91Å; L270-L274 WeakPolarHBondContact O-CB 3.39Å; L270-L274 PolarHBondContact O-N 3.43Å
271F89.6Confident87.7Confident134 Ų13482.8 Ų82.859%0.58844%0.442SS*.Hα-helixtrans-66-49.6-175.9-179.2-95.5000113.1L267 N273 L274 L275L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.28Å; L267-F271 VanDerWaalsContact O-N 3.13Å; F271-N273 VanDerWaalsContact C-N 3.31Å; F271-N273 PolarHBondContact O-N 2.91Å; F271-L274 PolarHBondContact O-N 2.96Å; F271-L275 HydrophobicContact CD1-CD1 4.08Å; F271-L275 HydrophobicContact CE1-CD1 3.56Å; F271-L275 HydrophobicContact CE1-CG 4.32Å; F271-L275 HydrophobicContact CZ-CD1 4.01Å; F271-L275 HydrophobicContact CZ-CG 4.44Å; F271-L275 PolarHBondContact O-N 3.02Å; F271-L275 VanDerWaalsContact O-N 3.13Å
272P91.3Very high88.4Confident70 Ų7083.6 Ų83.646%0.45545%0.452SS..Hα-helixtrans-63.2-35.4174.1-22.835.2000113.2M268 L275 L276M268-P272 WeakPolarHBondContact O-CD 3.23Å; M268-P272 VanDerWaalsContact O-CG 3.26Å; M268-P272 WeakPolarHBondContact O-CG 3.48Å; P272-L275 PolarHBondContact O-N 3.35Å; P272-L276 PolarHBondContact O-N 3.44Å
273N92.4Very high88.5Confident14 Ų1484.3 Ų84.38%0.07545%0.446CS..Hα-helixtrans-66.3-39.8178.2-166.545.2000111.8A249 N253 V269 L270 F271 L276 Q277A249-N273 WeakPolarHBondContact CB-OD1 3.27Å; A249-N273 PolarHBondContact O-ND2 2.92Å; N253-N273 VanDerWaalsContact CG-ND2 3.34Å; N253-N273 PolarHBondContact OD1-ND2 2.93Å; V269-N273 WeakPolarHBondContact O-CB 3.31Å; V269-N273 PolarHBondContact O-N 3.34Å; L270-N273 PolarHBondContact O-N 2.91Å; F271-N273 VanDerWaalsContact C-N 3.31Å; F271-N273 PolarHBondContact O-N 2.91Å; N273-L276 PolarHBondContact O-N 3.3Å; N273-Q277 WeakPolarHBondContact O-CG 3.44Å; N273-Q277 PolarHBondContact O-N 3.23Å
274L91.9Very high88.4Confident95 Ų9578.8 Ų78.850%0.49742%0.423SS..Hα-helixtrans-62.2-44.7173.7-178.865.1000111.4L270 F271 L276 Q277 C278L270-L274 WeakPolarHBondContact O-CB 3.39Å; L270-L274 PolarHBondContact O-N 3.43Å; F271-L274 PolarHBondContact O-N 2.96Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3.38Å; L274-Q277 PolarHBondContact O-N 2.74Å; L274-C278 PolarHBondContact O-N 3.15Å; L274-C278 PolarHBondContact O-SG 2.88Å
275L92.2Very high88.2Confident91 Ų9178.7 Ų78.748%0.47642%0.423SS..Hα-helixtrans-59.9-43.1175.7-70176.8000111.7F271 P272 C278 V279F271-L275 HydrophobicContact CD1-CD1 4.08Å; F271-L275 HydrophobicContact CE1-CD1 3.56Å; F271-L275 HydrophobicContact CE1-CG 4.32Å; F271-L275 HydrophobicContact CZ-CD1 4.01Å; F271-L275 HydrophobicContact CZ-CG 4.44Å; F271-L275 PolarHBondContact O-N 3.02Å; F271-L275 VanDerWaalsContact O-N 3.13Å; P272-L275 PolarHBondContact O-N 3.35Å; L275-C278 PolarHBondContact O-N 2.99Å; L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 3.4Å
276L90.2Very high88.1Confident92 Ų9282 Ų8248%0.48243%0.433SS..Hα-helixtrans-61.3-44.1175.6-179.962.9000111.7P272 N273 L274 C278 V279 L280P272-L276 PolarHBondContact O-N 3.44Å; N273-L276 PolarHBondContact O-N 3.3Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3.38Å; L276-C278 PolarHBondContact O-N 3.47Å; L276-V279 PolarHBondContact O-N 3.21Å; L276-L280 HydrophobicContact CD1-CD1 4.39Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.11Å; L276-L280 WeakPolarHBondContact O-CB 3.43Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.13Å
277Q91.4Very high87.7Confident50 Ų5084.8 Ų84.823%0.23445%0.447CS..Hα-helixtrans-62.2-40.3175.9-74.1175.7-20.400112.1A249 N253 N273 L274 L280 T281A249-Q277 HydrophobicContact CB-CG 3.9Å; N253-Q277 PolarHBondContact ND2-NE2 3.34Å; N253-Q277 VanDerWaalsContact ND2-NE2 3.17Å; N273-Q277 WeakPolarHBondContact O-CG 3.44Å; N273-Q277 PolarHBondContact O-N 3.23Å; L274-Q277 PolarHBondContact O-N 2.74Å; Q277-L280 PolarHBondContact O-N 3.47Å; Q277-T281 VanDerWaalsContact O-CB 3.32Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 PolarHBondContact O-N 2.94Å; Q277-T281 PolarHBondContact O-OG1 3.34Å
278C91.4Very high87.1Confident73 Ų7382.2 Ų82.249%0.49343%0.433SS..Hα-helixtrans-62-44174.7-69.70000111.9L274 L275 L276 T281 A282L274-C278 PolarHBondContact O-N 3.15Å; L274-C278 PolarHBondContact O-SG 2.88Å; L275-C278 PolarHBondContact O-N 2.99Å; L276-C278 PolarHBondContact O-N 3.47Å; C278-T281 PolarHBondContact O-N 3.41Å; C278-A282 WeakPolarHBondContact O-CB 3.31Å; C278-A282 PolarHBondContact O-N 3.13Å
279V90.8Very high86.3Confident100 Ų10077.6 Ų77.661%0.60641%0.413SS*.Hα-helixtrans-64.9-45.3177.8173.30000111.3L275 L276 T281 A282 Y283L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 3.4Å; L276-V279 PolarHBondContact O-N 3.21Å; V279-T281 VanDerWaalsContact C-N 3.35Å; V279-T281 PolarHBondContact O-N 3.38Å; V279-A282 PolarHBondContact O-N 3.13Å; V279-Y283 PolarHBondContact O-N 3.34Å
280L87.4Confident85.2Confident50 Ų5081.4 Ų81.426%0.26243%0.43SS..Hα-helixtrans-61.1-43.9176.6-72.9171.1000111.5P245 L276 Q277 Y283 L284P245-L280 HydrophobicContact CB-CD1 4.15Å; L276-L280 HydrophobicContact CD1-CD1 4.39Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.11Å; L276-L280 WeakPolarHBondContact O-CB 3.43Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.13Å; Q277-L280 PolarHBondContact O-N 3.47Å; L280-Y283 WeakPolarHBondContact O-CB 3.47Å; L280-Y283 PolarHBondContact O-N 2.89Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3Å
281T87.2Confident83.6Confident74 Ų7480.2 Ų80.245%0.45443%0.427SS..Hα-helixtrans-64.7-42.7178.1-54.90000111.3Q277 C278 V279 Y283 L284 L285Q277-T281 VanDerWaalsContact O-CB 3.32Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 PolarHBondContact O-N 2.94Å; Q277-T281 PolarHBondContact O-OG1 3.34Å; C278-T281 PolarHBondContact O-N 3.41Å; V279-T281 VanDerWaalsContact C-N 3.35Å; V279-T281 PolarHBondContact O-N 3.38Å; T281-Y283 VanDerWaalsContact C-N 3.29Å; T281-Y283 PolarHBondContact O-N 3.18Å; T281-L284 PolarHBondContact O-N 3.03Å; T281-L285 HydrophobicContact CG2-CD1 3.98Å; T281-L285 HydrophobicContact CG2-CG 4.33Å; T281-L285 WeakPolarHBondContact O-CB 3.31Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.4Å; T281-L285 PolarHBondContact O-N 3.5Å
282A87.9Confident81.9Confident61 Ų6176.2 Ų76.250%0.50441%0.414SS..Hα-helixtrans-61.9-38.3176.100000112C278 V279 K286C278-A282 WeakPolarHBondContact O-CB 3.31Å; C278-A282 PolarHBondContact O-N 3.13Å; V279-A282 PolarHBondContact O-N 3.13Å; A282-K286 PolarHBondContact O-N 2.92Å
283Y86.2Confident80.1Confident142 Ų14276.1 Ų76.156%0.55742%0.419SS*.Hα-helixtrans-65.3-45.6174.3-175.5-99.3000111.6V279 L280 T281 L285 K286 D287V279-Y283 PolarHBondContact O-N 3.34Å; L280-Y283 WeakPolarHBondContact O-CB 3.47Å; L280-Y283 PolarHBondContact O-N 2.89Å; T281-Y283 VanDerWaalsContact C-N 3.29Å; T281-Y283 PolarHBondContact O-N 3.18Å; Y283-L285 PolarHBondContact O-N 3.07Å; Y283-K286 WeakPolarHBondContact O-CB 3.45Å; Y283-K286 PolarHBondContact O-N 3.3Å; Y283-D287 VanDerWaalsContact CE1-OD2 3.27Å; Y283-D287 WeakPolarHBondContact CE1-OD2 3.45Å; Y283-D287 PolarHBondContact O-N 3.5Å; Y283-D287 PolarHBondContact OH-OD2 3.46Å
284L83Confident78.5Confident42 Ų4280.8 Ų80.822%0.2244%0.441CS..Hα-helixtrans-62.3-43.4177-69.3170.9000112.8V242 L280 T281 K286 D287 M288V242-L284 HydrophobicContact CB-CD2 4.14Å; V242-L284 HydrophobicContact CG1-CD1 3.79Å; V242-L284 HydrophobicContact CG1-CD2 3.49Å; V242-L284 VanDerWaalsContact CG1-CD2 3.49Å; V242-L284 HydrophobicContact CG1-CG 4.26Å; V242-L284 HydrophobicContact CG2-CD2 3.55Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3Å; T281-L284 PolarHBondContact O-N 3.03Å; L284-K286 PolarHBondContact O-N 3.38Å; L284-D287 PolarHBondContact O-N 2.95Å; L284-M288 HydrophobicContact CB-CE 4.4Å; L284-M288 WeakPolarHBondContact O-CB 3.44Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.22Å; L284-M288 PolarHBondContact O-N 3.32Å
285L81.5Confident76.9Confident116 Ų11678.9 Ų78.961%0.60744%0.439SS*.Hα-helixtrans-62.5-26.5177.9-73.7169000112.4T281 Y283 M288T281-L285 HydrophobicContact CG2-CD1 3.98Å; T281-L285 HydrophobicContact CG2-CG 4.33Å; T281-L285 WeakPolarHBondContact O-CB 3.31Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.4Å; T281-L285 PolarHBondContact O-N 3.5Å; Y283-L285 PolarHBondContact O-N 3.07Å; L285-M288 HydrophobicContact CD2-CE 3.67Å; L285-M288 HydrophobicContact CG-CE 4.21Å
286K81.1Confident75.4Confident175 Ų17575 Ų7576%0.76142%0.419SS*.Hα-helixtrans-76.7-36.3176.3-171.7179.9177.6-177.20112.7A282 Y283 L284A282-K286 PolarHBondContact O-N 2.92Å; Y283-K286 WeakPolarHBondContact O-CB 3.45Å; Y283-K286 PolarHBondContact O-N 3.3Å; L284-K286 PolarHBondContact O-N 3.38Å
287D77.3Confident74.2Confident81 Ų8178.4 Ų78.443%0.43343%0.425SS..Hα-helixtrans-91.3-19.7-175.5-74.1-3.9000113Y283 L284Y283-D287 VanDerWaalsContact CE1-OD2 3.27Å; Y283-D287 WeakPolarHBondContact CE1-OD2 3.45Å; Y283-D287 PolarHBondContact O-N 3.5Å; Y283-D287 PolarHBondContact OH-OD2 3.46Å; L284-D287 PolarHBondContact O-N 2.95Å
288M74.2Confident72.8Confident32 Ų3277.8 Ų77.816%0.15842%0.424CS..SBendtrans-67.4135.3178.4-80.5-171.3-66.100111.4Y140 L284 L285 I290 P296 I298Y140-M288 HydrophobicContact CE1-CG 4.19Å; L284-M288 HydrophobicContact CB-CE 4.4Å; L284-M288 WeakPolarHBondContact O-CB 3.44Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.22Å; L284-M288 PolarHBondContact O-N 3.32Å; L285-M288 HydrophobicContact CD2-CE 3.67Å; L285-M288 HydrophobicContact CG-CE 4.21Å; M288-I290 PolarHBondContact O-N 3.44Å; M288-P296 HydrophobicContact SD-CB 4.42Å; M288-P296 HydrophobicContact SD-CG 4.27Å; M288-I298 HydrophobicContact SD-CG2 3.73Å
289P68.5Low71.3Confident33 Ų3377.2 Ų77.221%0.21442%0.42CS..  trans-62.3138.3170.828.3-34.1000108.9A137 Y140 A291A137-P289 HydrophobicContact CB-CB 4.31Å; A137-P289 HydrophobicContact CB-CG 3.48Å; A137-P289 VanDerWaalsContact CB-CG 3.48Å; Y140-P289 HydrophobicContact CD2-CG 4.08Å; P289-A291 VanDerWaalsContact C-N 3.33Å; P289-A291 PolarHBondContact O-N 3.06Å
290I63.6Low70Confident133 Ų13379.4 Ų79.468%0.68242%0.422SS*.  trans-7096.1174.8-49.3173.9000106.8I50 M288I50-I290 HydrophobicContact CD1-CB 3.7Å; I50-I290 HydrophobicContact CD1-CG2 3.27Å; M288-I290 PolarHBondContact O-N 3.44Å
291A56.8Low68.6Low26 Ų2689 Ų8922%0.21546%0.456CS..  trans-80.2133.7178.400000109.6A137 P289 E294 P296A137-A291 HydrophobicContact CB-CB 3.99Å; P289-A291 VanDerWaalsContact C-N 3.33Å; P289-A291 PolarHBondContact O-N 3.06Å; A291-E294 WeakPolarHBondContact CB-O 3.25Å; A291-P296 HydrophobicContact CB-CG 4.41Å
292T53.2Low67.7Low50 Ų5089.8 Ų89.831%0.30746%0.456SS..SBendtrans-98-25-172.948.30000114.5T48 I50T48-T292 VanDerWaalsContact O-CB 3.23Å; T48-T292 WeakPolarHBondContact O-CB 3.47Å; T48-T292 WeakPolarHBondContact O-CG2 3.42Å; I50-T292 HydrophobicContact CB-CG2 3.39Å; I50-T292 HydrophobicContact CD1-CG2 3.47Å; I50-T292 VanDerWaalsContact CD1-CG2 3.47Å; I50-T292 HydrophobicContact CG1-CG2 3.31Å
293A53.5Low66.6Low69 Ų6991.3 Ų91.357%0.5745%0.454SS*.SBendtrans-87.9-51.1-179.200000111.3
294E59.5Low65.5Low111 Ų11188.5 Ų88.552%0.51945%0.448SS..SBendtrans-146.9144.4-179.9-68.9-167.5166.500110.8A291A291-E294 WeakPolarHBondContact CB-O 3.25Å
295A58.2Low64.5Low56 Ų5691.2 Ų91.246%0.46346%0.462SS..  trans-58.5133.9169.400000109.4R297 S299A295-R297 PolarHBondContact O-N 3.05Å; A295-S299 WeakPolarHBondContact CB-OG 3.45Å
296P59.9Low63.4Low10 Ų1089.7 Ų89.77%0.06545%0.453CS..  trans-47140.5178.1-32.438000112.4M288 A291 I298 S299M288-P296 HydrophobicContact SD-CB 4.42Å; M288-P296 HydrophobicContact SD-CG 4.27Å; A291-P296 HydrophobicContact CB-CG 4.41Å; P296-I298 HydrophobicContact CB-CG2 3.83Å; P296-I298 PolarHBondContact O-N 3.47Å; P296-S299 WeakPolarHBondContact O-CB 3.23Å; P296-S299 PolarHBondContact O-N 3.49Å; P296-S299 PolarHBondContact O-OG 3.1Å
297R65.3Low62.2Low162 Ų16284 Ų8461%0.61143%0.432SS*.G310 helixtrans-52.3-31.8178.9-77.1178.2178.7-166.21113.4S138 A295 S299 K300 Y301S138-R297 WeakPolarHBondContact O-CG 3.43Å; S138-R297 PolarHBondContact O-N 3.35Å; A295-R297 PolarHBondContact O-N 3.05Å; R297-S299 PolarHBondContact O-N 2.92Å; R297-K300 WeakPolarHBondContact O-CB 3.26Å; R297-K300 PolarHBondContact O-N 3.11Å; R297-K300 VanDerWaalsContact O-N 3.11Å; R297-Y301 VanDerWaalsContact O-CD2 3.22Å; R297-Y301 WeakPolarHBondContact O-CD2 3.1Å
298I62.4Low61.2Low38 Ų3884.2 Ų84.220%0.19543%0.432CS..G310 helixtrans-59.8-32.2176.3-165.295.7000112.8Y140 F238 M288 P296 K300 Y301Y140-I298 HydrophobicContact CD1-CG2 3.99Å; F238-I298 HydrophobicContact CE1-CD1 3.45Å; F238-I298 VanDerWaalsContact CE1-CD1 3.45Å; F238-I298 HydrophobicContact CE1-CG1 4.4Å; F238-I298 HydrophobicContact CZ-CD1 3.48Å; F238-I298 VanDerWaalsContact CZ-CD1 3.48Å; F238-I298 HydrophobicContact CZ-CG1 3.95Å; M288-I298 HydrophobicContact SD-CG2 3.73Å; P296-I298 HydrophobicContact CB-CG2 3.83Å; P296-I298 PolarHBondContact O-N 3.47Å; I298-K300 PolarHBondContact O-N 3.23Å; I298-Y301 PolarHBondContact O-N 3.09Å
299S60.2Low60.2Low61 Ų6188.2 Ų88.243%0.42745%0.453SS..G310 helixtrans-73.1-8.8179.477.50000113A295 P296 R297A295-S299 WeakPolarHBondContact CB-OG 3.45Å; P296-S299 WeakPolarHBondContact O-CB 3.23Å; P296-S299 PolarHBondContact O-N 3.49Å; P296-S299 PolarHBondContact O-OG 3.1Å; R297-S299 PolarHBondContact O-N 2.92Å
300K63.8Low59.5Low145 Ų14592.8 Ų92.863%0.6347%0.473SS*.G310 helixtrans-88.6-8175.6-59.8-177.7-179.8175.70112.4R297 I298R297-K300 WeakPolarHBondContact O-CB 3.26Å; R297-K300 PolarHBondContact O-N 3.11Å; R297-K300 VanDerWaalsContact O-N 3.11Å; I298-K300 PolarHBondContact O-N 3.23Å
301Y57.4Low59.1Low253 Ų25389.2 Ų89.299%0.99245%0.454SS*.  trans-113.80180-63.9-77.4000111.1R297 I298R297-Y301 VanDerWaalsContact O-CD2 3.22Å; R297-Y301 WeakPolarHBondContact O-CD2 3.1Å; I298-Y301 PolarHBondContact O-N 3.09Å

Retrieved 301 of 301 residues in 1466.8 ms (Link to these results)