A0A096MQN9_PAPAN Loading...

Neurexophilin and PC-esterase domain family member 3

AlphaFold DB (A0A2K6AC86), UniProt , Accession A0A096MQN9, Species PAPAN (Papio anubis, Olive baboon), Gene NXPE3, Length 559 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
1M52.6Low63Low211 Ų211148.3 Ų148.3100%1.03968%0.68SS**  0-16.70-93.6169.663.100115.1
2W49.7Very low64.3Low234 Ų234141.7 Ų141.789%0.88666%0.663SS**Hα-helixtrans-85.9-26.1-174.5-117.827.3000116
3T54.6Low65.5Low109 Ų109137 Ų13767%0.66965%0.654SS**Hα-helixtrans-73-27.6-179.337.50000113.8K7T3-K7 PolarHBondContact O-N 3.41Å
4N55.5Low66.7Low118 Ų118134.9 Ų134.963%0.63165%0.647SS**Hα-helixtrans-77.1-29.4176.8-77.5-13000112.9L8N4-L8 WeakPolarHBondContact O-CB 3.23Å; N4-L8 PolarHBondContact O-N 2.73Å
5F57Low67.6Low139 Ų139131.7 Ų131.761%0.6163%0.634SS**Hα-helixtrans-70.2-35.5176.9-110.8-86.6000112.5L8 R9F5-L8 PolarHBondContact O-N 3.15Å; F5-R9 PolarHBondContact O-N 2.88Å
6F63.8Low68.5Low156 Ų156126.9 Ų126.968%0.68462%0.623SS**Hα-helixtrans-70-40.5177.6-152.9-92.3000111.7R9 L10F6-R9 PolarHBondContact O-N 2.97Å; F6-L10 WeakPolarHBondContact O-CB 3.47Å; F6-L10 PolarHBondContact O-N 3.46Å
7K65.8Low69.5Low151 Ų151124.8 Ų124.866%0.65762%0.619SS**Hα-helixtrans-63.3-40.2173.5-72.8-176177-176.30112.1T3 L10 F11T3-K7 PolarHBondContact O-N 3.41Å; K7-L10 PolarHBondContact O-N 2.99Å; K7-F11 VanDerWaalsContact O-CB 3.31Å; K7-F11 WeakPolarHBondContact O-CB 3.46Å; K7-F11 PolarHBondContact O-N 3.07Å
8L71.2Confident70.3Confident99 Ų99124.2 Ų124.252%0.51862%0.618SS.*Hα-helixtrans-66.9-42.3177.3-170.966.8000111.9N4 F5 F11 C12N4-L8 WeakPolarHBondContact O-CB 3.23Å; N4-L8 PolarHBondContact O-N 2.73Å; F5-L8 PolarHBondContact O-N 3.15Å; L8-F11 PolarHBondContact O-N 3.34Å; L8-C12 WeakPolarHBondContact O-CB 3.41Å; L8-C12 PolarHBondContact O-N 3.45Å; L8-C12 PolarHBondContact O-SG 2.92Å
9R71.9Confident70.8Confident187 Ų187124.7 Ų124.771%0.70662%0.62SS**Hα-helixtrans-62.7-43.2173.9-88.1-169.4176.5-167.20.1112.3F5 F6 F11 C12 C13F5-R9 PolarHBondContact O-N 2.88Å; F6-R9 PolarHBondContact O-N 2.97Å; R9-F11 VanDerWaalsContact C-N 3.31Å; R9-F11 PolarHBondContact O-N 3.35Å; R9-C12 PolarHBondContact O-N 2.91Å; R9-C13 WeakPolarHBondContact O-CB 3.37Å; R9-C13 PolarHBondContact O-N 3.46Å; R9-C13 PolarHBondContact O-SG 2.85Å; R9-C13 VanDerWaalsContact O-SG 3.36Å
10L74.2Confident71.5Confident104 Ų104122.9 Ų122.955%0.54562%0.616SS.*Hα-helixtrans-63.5-40.1177.8-160.977.5000111.2F6 K7 C13 L14F6-L10 WeakPolarHBondContact O-CB 3.47Å; F6-L10 PolarHBondContact O-N 3.46Å; K7-L10 PolarHBondContact O-N 2.99Å; L10-C13 PolarHBondContact O-N 3.24Å; L10-L14 HydrophobicContact CG-CD1 4.5Å; L10-L14 WeakPolarHBondContact O-CB 3.43Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.31Å
11F77.1Confident72Confident123 Ų123120.5 Ų120.554%0.53961%0.608SS.*Hα-helixtrans-65.5-43.3175.6-174.2-104.1000112.5K7 L8 R9 L14 L15K7-F11 VanDerWaalsContact O-CB 3.31Å; K7-F11 WeakPolarHBondContact O-CB 3.46Å; K7-F11 PolarHBondContact O-N 3.07Å; L8-F11 PolarHBondContact O-N 3.34Å; R9-F11 VanDerWaalsContact C-N 3.31Å; R9-F11 PolarHBondContact O-N 3.35Å; F11-L14 PolarHBondContact O-N 2.9Å; F11-L15 HydrophobicContact CD1-CD1 3.72Å; F11-L15 HydrophobicContact CE1-CD1 3.3Å; F11-L15 HydrophobicContact CE1-CG 4.41Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 PolarHBondContact O-N 3.37Å
12C78.1Confident73.4Confident69 Ų69113.6 Ų113.647%0.46658%0.577SS.*Hα-helixtrans-65.2-38.6174.7-690000112.5L8 R9 L15 A16L8-C12 WeakPolarHBondContact O-CB 3.41Å; L8-C12 PolarHBondContact O-N 3.45Å; L8-C12 PolarHBondContact O-SG 2.92Å; R9-C12 PolarHBondContact O-N 2.91Å; C12-L15 PolarHBondContact O-N 3.16Å; C12-A16 WeakPolarHBondContact O-CB 3.49Å; C12-A16 PolarHBondContact O-N 3.24Å
13C79.9Confident74.7Confident81 Ų81107.9 Ų107.955%0.54756%0.563SS.*Hα-helixtrans-65.2-41.7174.4-74.30000111.7R9 L10 A16 V17R9-C13 WeakPolarHBondContact O-CB 3.37Å; R9-C13 PolarHBondContact O-N 3.46Å; R9-C13 PolarHBondContact O-SG 2.85Å; R9-C13 VanDerWaalsContact O-SG 3.36Å; L10-C13 PolarHBondContact O-N 3.24Å; C13-A16 PolarHBondContact O-N 3.17Å; C13-V17 VanDerWaalsContact O-CG2 3.32Å; C13-V17 WeakPolarHBondContact O-CG2 3.48Å; C13-V17 PolarHBondContact O-N 2.95Å
14L81.9Confident75.8Confident107 Ų107106.6 Ų106.656%0.5656%0.555SS**Hα-helixtrans-62-43.6174.9-84.3159.6000111.7L10 F11 V17 L18L10-L14 HydrophobicContact CG-CD1 4.5Å; L10-L14 WeakPolarHBondContact O-CB 3.43Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 3.31Å; F11-L14 PolarHBondContact O-N 2.9Å; L14-V17 PolarHBondContact O-N 2.94Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 PolarHBondContact O-N 3.01Å
15L81.1Confident76.7Confident87 Ų87104.9 Ų104.946%0.45555%0.545SS..Hα-helixtrans-62.2-42174.3-89.4159.8000112.5F11 C12 L18 M19F11-L15 HydrophobicContact CD1-CD1 3.72Å; F11-L15 HydrophobicContact CE1-CD1 3.3Å; F11-L15 HydrophobicContact CE1-CG 4.41Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 PolarHBondContact O-N 3.37Å; C12-L15 PolarHBondContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.29Å; L15-M19 WeakPolarHBondContact O-CB 3.49Å; L15-M19 VanDerWaalsContact O-CG 3.27Å; L15-M19 WeakPolarHBondContact O-CG 3.19Å; L15-M19 PolarHBondContact O-N 2.93Å
16A81.4Confident77.1Confident56 Ų56102.2 Ų102.246%0.46354%0.537SS..Hα-helixtrans-64.1-42.5177.400000111.8C12 C13 L18 M19 V20C12-A16 WeakPolarHBondContact O-CB 3.49Å; C12-A16 PolarHBondContact O-N 3.24Å; C13-A16 PolarHBondContact O-N 3.17Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-M19 PolarHBondContact O-N 3.32Å; A16-V20 WeakPolarHBondContact O-CG2 3.38Å; A16-V20 PolarHBondContact O-N 3.42Å
17V85.6Confident77.4Confident91 Ų9198.3 Ų98.355%0.55253%0.526SS*.Hα-helixtrans-63.7-41.9174.7172.80000110.7C13 L14 M19 V20 V21C13-V17 VanDerWaalsContact O-CG2 3.32Å; C13-V17 WeakPolarHBondContact O-CG2 3.48Å; C13-V17 PolarHBondContact O-N 2.95Å; L14-V17 PolarHBondContact O-N 2.94Å; V17-M19 VanDerWaalsContact C-N 3.34Å; V17-M19 PolarHBondContact O-N 3.45Å; V17-V20 PolarHBondContact O-N 3.18Å; V17-V21 HydrophobicContact CG1-CG2 4.38Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 2.94Å
18L85.1Confident77.1Confident114 Ų11494.5 Ų94.560%0.59752%0.516SS*.Hα-helixtrans-64.2-39.8178.2-140128.6000111.6L14 L15 A16 V21 V22L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 PolarHBondContact O-N 3.01Å; L15-L18 PolarHBondContact O-N 3.29Å; A16-L18 VanDerWaalsContact C-N 3.35Å; L18-V21 PolarHBondContact O-N 3.44Å; L18-V22 HydrophobicContact CD2-CG2 4.48Å; L18-V22 WeakPolarHBondContact O-CB 3.33Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.47Å; L18-V22 PolarHBondContact O-N 3.16Å
19M79.3Confident76.2Confident134 Ų13494.9 Ų94.966%0.6652%0.515SS*.Hα-helixtrans-64.6-40174.4-72.8-66.1-70.200112.3L15 A16 V17 V22 L23L15-M19 WeakPolarHBondContact O-CB 3.49Å; L15-M19 VanDerWaalsContact O-CG 3.27Å; L15-M19 WeakPolarHBondContact O-CG 3.19Å; L15-M19 PolarHBondContact O-N 2.93Å; A16-M19 PolarHBondContact O-N 3.32Å; V17-M19 VanDerWaalsContact C-N 3.34Å; V17-M19 PolarHBondContact O-N 3.45Å; M19-V22 PolarHBondContact O-N 3.31Å; M19-L23 VanDerWaalsContact O-CB 3.31Å; M19-L23 WeakPolarHBondContact O-CB 3.33Å; M19-L23 PolarHBondContact O-N 3.19Å
20V83.8Confident75Confident88 Ų8890.2 Ų90.253%0.53351%0.507SS..Hα-helixtrans-67-41.1175.4172.70000110.9A16 V17 L23 V24A16-V20 WeakPolarHBondContact O-CG2 3.38Å; A16-V20 PolarHBondContact O-N 3.42Å; V17-V20 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.34Å; V20-V24 HydrophobicContact CG1-CG2 4.38Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.43Å; V20-V24 PolarHBondContact O-N 3.48Å
21V83.6Confident73.6Confident73 Ų7391.1 Ų91.144%0.44251%0.508SS..Hα-helixtrans-64.3-43.4176.11710000111V17 L18 L23 V24 I25V17-V21 HydrophobicContact CG1-CG2 4.38Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 2.94Å; L18-V21 PolarHBondContact O-N 3.44Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 2.96Å; V21-V24 PolarHBondContact O-N 3.41Å; V21-I25 HydrophobicContact CG1-CD1 3.67Å; V21-I25 HydrophobicContact CG1-CG1 4.37Å; V21-I25 WeakPolarHBondContact O-CB 3.41Å; V21-I25 WeakPolarHBondContact O-CG1 3.48Å; V21-I25 PolarHBondContact O-N 3.27Å
22V81.6Confident71.8Confident66 Ų6692.2 Ų92.240%0.451%0.51SS..Hα-helixtrans-64-38.5174.6170.70000111.3L18 M19 I25 N26L18-V22 HydrophobicContact CD2-CG2 4.48Å; L18-V22 WeakPolarHBondContact O-CB 3.33Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.47Å; L18-V22 PolarHBondContact O-N 3.16Å; M19-V22 PolarHBondContact O-N 3.31Å; V22-I25 PolarHBondContact O-N 2.89Å; V22-N26 VanDerWaalsContact O-CB 3.3Å; V22-N26 WeakPolarHBondContact O-CB 2.99Å; V22-N26 PolarHBondContact O-N 3Å
23L77.4Confident69.9Low114 Ų11493.6 Ų93.660%0.59751%0.512SS*.Hα-helixtrans-64.8-44.3175.4-164.885.5000111.3M19 V20 V21 N26 V27M19-L23 VanDerWaalsContact O-CB 3.31Å; M19-L23 WeakPolarHBondContact O-CB 3.33Å; M19-L23 PolarHBondContact O-N 3.19Å; V20-L23 PolarHBondContact O-N 3.34Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 2.96Å; L23-N26 PolarHBondContact O-N 3.5Å; L23-V27 WeakPolarHBondContact O-CB 3.31Å; L23-V27 VanDerWaalsContact O-CG2 3.22Å; L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3.34Å
24V77.4Confident67.9Low82 Ų8294.7 Ų94.750%0.49751%0.512SS..Hα-helixtrans-65.3-42177171.90000110.7V20 V21 V27 T28V20-V24 HydrophobicContact CG1-CG2 4.38Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.43Å; V20-V24 PolarHBondContact O-N 3.48Å; V21-V24 PolarHBondContact O-N 3.41Å; V24-V27 PolarHBondContact O-N 3.47Å; V24-T28 HydrophobicContact CG1-CG2 4.38Å; V24-T28 WeakPolarHBondContact O-CB 3.49Å; V24-T28 WeakPolarHBondContact O-CG2 3.45Å; V24-T28 PolarHBondContact O-N 2.89Å; V24-T28 PolarHBondContact O-OG1 3.36Å
25I73.9Confident65.7Low82 Ų8297.2 Ų97.242%0.42152%0.521SS..Hα-helixtrans-65.2-39.4175.8-68.2167.3000111.2V21 V22 T28 Q29V21-I25 HydrophobicContact CG1-CD1 3.67Å; V21-I25 HydrophobicContact CG1-CG1 4.37Å; V21-I25 WeakPolarHBondContact O-CB 3.41Å; V21-I25 WeakPolarHBondContact O-CG1 3.48Å; V21-I25 PolarHBondContact O-N 3.27Å; V22-I25 PolarHBondContact O-N 2.89Å; I25-T28 WeakPolarHBondContact CA-OG1 3.47Å; I25-T28 PolarHBondContact O-OG1 3.11Å; I25-T28 VanDerWaalsContact O-OG1 3.11Å; I25-Q29 VanDerWaalsContact O-CB 3.25Å; I25-Q29 WeakPolarHBondContact O-CB 3.22Å; I25-Q29 WeakPolarHBondContact O-CG 3.45Å; I25-Q29 PolarHBondContact O-N 2.91Å
26N65.9Low63.4Low83 Ų8398.7 Ų98.744%0.44453%0.526SS..Hα-helixtrans-69.2-38.8175.3-84.5-21000111.8V22 L23 Q29 V30V22-N26 VanDerWaalsContact O-CB 3.3Å; V22-N26 WeakPolarHBondContact O-CB 2.99Å; V22-N26 PolarHBondContact O-N 3Å; L23-N26 PolarHBondContact O-N 3.5Å; N26-Q29 PolarHBondContact O-N 2.87Å; N26-V30 WeakPolarHBondContact O-CB 3.45Å; N26-V30 WeakPolarHBondContact O-CG2 3.42Å; N26-V30 PolarHBondContact O-N 3.35Å
27V68.7Low60.9Low74 Ų74100.5 Ų100.545%0.44853%0.531SS..Hα-helixtrans-67.6-41.7176169.90000110.5L23 V24 V30 E31L23-V27 WeakPolarHBondContact O-CB 3.31Å; L23-V27 VanDerWaalsContact O-CG2 3.22Å; L23-V27 WeakPolarHBondContact O-CG2 3.43Å; L23-V27 PolarHBondContact O-N 3.34Å; V24-V27 PolarHBondContact O-N 3.47Å; V27-V30 PolarHBondContact O-N 3.08Å; V27-E31 WeakPolarHBondContact O-CB 3.04Å; V27-E31 PolarHBondContact O-N 2.03Å
28T59.4Low58.3Low71 Ų71101.9 Ų101.944%0.43654%0.539SS..Hα-helixtrans-71.2-31.1175.157.40000112.3V24 I25 Y32V24-T28 HydrophobicContact CG1-CG2 4.38Å; V24-T28 WeakPolarHBondContact O-CB 3.49Å; V24-T28 WeakPolarHBondContact O-CG2 3.45Å; V24-T28 PolarHBondContact O-N 2.89Å; V24-T28 PolarHBondContact O-OG1 3.36Å; I25-T28 WeakPolarHBondContact CA-OG1 3.47Å; I25-T28 PolarHBondContact O-OG1 3.11Å; I25-T28 VanDerWaalsContact O-OG1 3.11Å; T28-Y32 WeakPolarHBondContact O-CB 2.97Å; T28-Y32 PolarHBondContact O-N 2.82Å
29Q52Low55.7Low107 Ų107100.6 Ų100.650%0.554%0.54SS..Hα-helixtrans-69.3-35.7169.4-85.4-171.5-28.100112.2I25 N26 Y32 L33I25-Q29 VanDerWaalsContact O-CB 3.25Å; I25-Q29 WeakPolarHBondContact O-CB 3.22Å; I25-Q29 WeakPolarHBondContact O-CG 3.45Å; I25-Q29 PolarHBondContact O-N 2.91Å; N26-Q29 PolarHBondContact O-N 2.87Å; Q29-Y32 PolarHBondContact O-N 3.22Å; Q29-L33 WeakPolarHBondContact O-CB 3.42Å; Q29-L33 WeakPolarHBondContact O-CD1 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.48Å; Q29-L33 PolarHBondContact O-N 3.09Å
30V47.7Very low53.2Low89 Ų8997.8 Ų97.854%0.53954%0.538SS..Hα-helixtrans-71-40.1174.2169.60000110.6N26 V27 L33 D34N26-V30 WeakPolarHBondContact O-CB 3.45Å; N26-V30 WeakPolarHBondContact O-CG2 3.42Å; N26-V30 PolarHBondContact O-N 3.35Å; V27-V30 PolarHBondContact O-N 3.08Å; V30-L33 CarbonylContact O-C 3.47Å; V30-L33 PolarHBondContact O-N 2.88Å; V30-D34 WeakPolarHBondContact O-CB 3.37Å; V30-D34 PolarHBondContact O-N 2.97Å
31E45.8Very low50.4Low122 Ų12299.2 Ų99.257%0.5755%0.547SS*.Hα-helixtrans-66.9-36.1171.9-78.4-177.7158.300112V27 D34 H35V27-E31 WeakPolarHBondContact O-CB 3.04Å; V27-E31 PolarHBondContact O-N 2.03Å; E31-D34 PolarHBondContact O-N 3Å; E31-H35 WeakPolarHBondContact O-CB 3.26Å; E31-H35 PolarHBondContact O-N 3.33Å
32Y37.9Very low47.8Very low146 Ų146105.5 Ų105.557%0.57357%0.569SS**Hα-helixtrans-69.8-38.7173.8-171-96.2000111.5T28 Q29 H35 E36T28-Y32 WeakPolarHBondContact O-CB 2.97Å; T28-Y32 PolarHBondContact O-N 2.82Å; Q29-Y32 PolarHBondContact O-N 3.22Å; Y32-H35 PolarHBondContact O-N 2.88Å; Y32-E36 HydrophobicContact CD1-CG 4.44Å; Y32-E36 HydrophobicContact CE1-CG 4.09Å; Y32-E36 PolarHBondContact O-N 2.96Å
33L38.5Very low45.1Very low99 Ų99109.7 Ų109.752%0.51859%0.587SS.*Hα-helixtrans-69.7-34.8172.9-77.6164000111.9Q29 V30 T37Q29-L33 WeakPolarHBondContact O-CB 3.42Å; Q29-L33 WeakPolarHBondContact O-CD1 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.48Å; Q29-L33 PolarHBondContact O-N 3.09Å; V30-L33 CarbonylContact O-C 3.47Å; V30-L33 PolarHBondContact O-N 2.88Å; L33-T37 VanDerWaalsContact O-CB 3.24Å; L33-T37 WeakPolarHBondContact O-CB 3.39Å; L33-T37 VanDerWaalsContact O-CG2 3.28Å; L33-T37 WeakPolarHBondContact O-CG2 3.34Å; L33-T37 PolarHBondContact O-N 3.01Å; L33-T37 PolarHBondContact O-OG1 3.47Å
34D37.4Very low42.8Very low104 Ų104109.4 Ų109.456%0.55659%0.586SS**Hα-helixtrans-67-38.4170.2-114.4-2.5000110.7V30 E31 T37 V38V30-D34 WeakPolarHBondContact O-CB 3.37Å; V30-D34 PolarHBondContact O-N 2.97Å; E31-D34 PolarHBondContact O-N 3Å; D34-T37 WeakPolarHBondContact CA-OG1 3.45Å; D34-V38 WeakPolarHBondContact O-CB 3.45Å; D34-V38 WeakPolarHBondContact O-CG2 3.38Å; D34-V38 PolarHBondContact O-N 2.84Å; D34-V38 VanDerWaalsContact O-N 3.1Å
35H37.1Very low40.7Very low159 Ų159111.5 Ų111.574%0.73661%0.605SS**Hα-helixtrans-70.5-32.6176-117-64.1000113.3E31 Y32E31-H35 WeakPolarHBondContact O-CB 3.26Å; E31-H35 PolarHBondContact O-N 3.33Å; Y32-H35 PolarHBondContact O-N 2.88Å
36E32.3Very low38.9Very low119 Ų119111.2 Ų111.256%0.55661%0.61SS**Hα-helixtrans-83-29.5173.9-76.4-151.9147.700113.1Y32 S39Y32-E36 HydrophobicContact CD1-CG 4.44Å; Y32-E36 HydrophobicContact CE1-CG 4.09Å; Y32-E36 PolarHBondContact O-N 2.96Å; E36-S39 PolarHBondContact O-N 3.49Å
37T29.3Very low37.2Very low93 Ų93110.5 Ų110.557%0.57162%0.623SS**Hα-helixtrans-82.2-13.117751.80000113.9L33 D34 S39L33-T37 VanDerWaalsContact O-CB 3.24Å; L33-T37 WeakPolarHBondContact O-CB 3.39Å; L33-T37 VanDerWaalsContact O-CG2 3.28Å; L33-T37 WeakPolarHBondContact O-CG2 3.34Å; L33-T37 PolarHBondContact O-N 3.01Å; L33-T37 PolarHBondContact O-OG1 3.47Å; D34-T37 WeakPolarHBondContact CA-OG1 3.45Å; T37-S39 PolarHBondContact O-N 2.78Å
38V30.6Very low35.1Very low121 Ų121114.6 Ų114.673%0.73364%0.637SS**THydrogen-bonded Turntrans-77.5-9166.1172.50000112.3D34 A40D34-V38 WeakPolarHBondContact O-CB 3.45Å; D34-V38 WeakPolarHBondContact O-CG2 3.38Å; D34-V38 PolarHBondContact O-N 2.84Å; D34-V38 VanDerWaalsContact O-N 3.1Å; V38-A40 VanDerWaalsContact C-N 3.28Å; V38-A40 PolarHBondContact O-N 3.43Å
39S30.3Very low33.5Very low86 Ų86121.4 Ų121.460%0.60166%0.661SS**  trans-9156.3166.2-120.50000111.5E36 T37 T41E36-S39 PolarHBondContact O-N 3.49Å; T37-S39 PolarHBondContact O-N 2.78Å; S39-T41 PolarHBondContact O-N 3.02Å
40A26.1Very low32.1Very low75 Ų75123.1 Ų123.162%0.6267%0.672SS**  trans-67.189.5166.200000109.2V38 F42V38-A40 VanDerWaalsContact C-N 3.28Å; V38-A40 PolarHBondContact O-N 3.43Å; A40-F42 PolarHBondContact O-N 2.95Å
41T26.3Very low31Very low119 Ų119124.2 Ų124.273%0.7368%0.683SS**  trans-63.9116.9172.229.30000109.3S39 I43S39-T41 PolarHBondContact O-N 3.02Å; T41-I43 PolarHBondContact O-N 3.42Å
42F28.3Very low30.1Very low205 Ų205122.6 Ų122.690%0.89969%0.685SS**  trans-77.2115.9171.5-79.5-88.8000109.4A40A40-F42 PolarHBondContact O-N 2.95Å
43I25.8Very low29.5Very low153 Ų153124.1 Ų124.179%0.78570%0.698SS**  trans-87.4117168.1-62.6173.8000107.5T41T41-I43 PolarHBondContact O-N 3.42Å
44D27.9Very low29.1Very low108 Ų108125.1 Ų125.158%0.57871%0.708SS**  trans-74.3147.6163.1178.832000109.9S46 G47D44-S46 PolarHBondContact O-N 3.35Å; D44-S46 PolarHBondContact OD2-OG 3.43Å; D44-G47 PolarHBondContact O-N 2.94Å
45S33.8Very low28.7Very low126 Ų126126 Ų12688%0.88172%0.717SS**THydrogen-bonded Turntrans-60.115.1-179.153.80000116.4
46S34.9Very low28.3Very low76 Ų76121.8 Ų121.853%0.53172%0.716SS.*THydrogen-bonded Turntrans-126.5-2.9-178.463.20000114.8D44 Q48D44-S46 PolarHBondContact O-N 3.35Å; D44-S46 PolarHBondContact OD2-OG 3.43Å; S46-Q48 PolarHBondContact O-N 3.39Å
47G31.4Very low28.5Very low69 Ų69121.5 Ų121.571%0.71172%0.717SS**  trans60.620.6167.800000116.2D44D44-G47 PolarHBondContact O-N 2.94Å
48Q24.3Very low28.8Very low159 Ų159122.4 Ų122.474%0.74373%0.727SS**  trans-120119.5177-116175.4-7.100111.2S46 I50S46-Q48 PolarHBondContact O-N 3.39Å; Q48-I50 PolarHBondContact O-N 2.94Å
49F25.1Very low29.8Very low214 Ų214121.1 Ų121.194%0.93971%0.709SS**  trans-67109.8170.3-76.9-91.3000109.5
50I23.2Very low30.7Very low144 Ų144124.3 Ų124.374%0.73872%0.719SS**  trans-111.4101.2163.9-61172.2000107Q48 S52Q48-I50 PolarHBondContact O-N 2.94Å; I50-S52 VanDerWaalsContact C-N 3.33Å; I50-S52 PolarHBondContact O-N 2.92Å
51S24.6Very low32.2Very low112 Ų112123.1 Ų123.178%0.78371%0.705SS**  trans-64.498.4160.4178.70000106.9Q53S51-Q53 PolarHBondContact O-N 3.3Å
52S27.4Very low34.1Very low87 Ų87119.2 Ų119.261%0.60868%0.678SS**  trans-69.5103.3167.659.40000106.8I50 V54I50-S52 VanDerWaalsContact C-N 3.33Å; I50-S52 PolarHBondContact O-N 2.92Å; S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 3.3Å
53Q24.4Very low35.7Very low179 Ų179112.6 Ų112.684%0.83666%0.656SS**  trans-55.6100.8156.9-80.4-175.4-26.300106.7S51 T55S51-Q53 PolarHBondContact O-N 3.3Å; Q53-T55 VanDerWaalsContact C-N 3.32Å; Q53-T55 PolarHBondContact O-N 2.89Å
54V31.3Very low36.9Very low120 Ų120106.7 Ų106.773%0.72763%0.633SS**  trans-67.297.4171.7177.90000105.7S52 G56S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 3.3Å; V54-G56 PolarHBondContact O-N 3.43Å
55T27.9Very low38.3Very low123 Ų123102.9 Ų102.976%0.75561%0.611SS**  trans-63.6103.7161.9380000106.4Q53 I57Q53-T55 VanDerWaalsContact C-N 3.32Å; Q53-T55 PolarHBondContact O-N 2.89Å; T55-I57 PolarHBondContact O-N 3Å
56G29.1Very low38.9Very low69 Ų69102.9 Ų102.971%0.71160%0.601SS**  trans-57.9104.7179.300000110V54 S58V54-G56 PolarHBondContact O-N 3.43Å; G56-S58 PolarHBondContact O-N 3.37Å; G56-S58 VanDerWaalsContact O-N 3.08Å
57I36Very low39.7Very low114 Ų114107.3 Ų107.359%0.58561%0.613SS**  trans-69.4106.3166-61.6174.2000105.3T55 R59T55-I57 PolarHBondContact O-N 3Å; I57-R59 HydrophobicContact CG2-CG 4.26Å; I57-R59 PolarHBondContact O-N 3.07Å
58S35.7Very low41.2Very low111 Ų111105.5 Ų105.578%0.77659%0.586SS**  trans-62.486.3172.6176.30000109.2G56G56-S58 PolarHBondContact O-N 3.37Å; G56-S58 VanDerWaalsContact O-N 3.08Å
59R52Low43.5Very low95 Ų95105.7 Ų105.736%0.35859%0.591SS.*PPolyproline II helixtrans-77.3126.7167.8-74.7-177.2168.2169.7-2.3107.9I57 P61 E202I57-R59 HydrophobicContact CG2-CG 4.26Å; I57-R59 PolarHBondContact O-N 3.07Å; R59-P61 VanDerWaalsContact O-CD 3.22Å; R59-P61 WeakPolarHBondContact O-CD 3.47Å; R59-E202 IonicContact CZ-OE1 3.65Å; R59-E202 IonicContact NE-OE1 3.62Å; R59-E202 IonicContact NH2-OE1 3.06Å; R59-E202 PolarHBondContact NH2-OE1 3.47Å
60N49.6Very low46.3Very low152 Ų15296.5 Ų96.581%0.81355%0.551SS**PPolyproline II helixtrans-63.5116.8169.7-78.4-20000107.9Y62N60-Y62 PolarHBondContact O-N 3.47Å
61P57.6Low49.4Very low50 Ų5092.2 Ų92.233%0.32553%0.534SS..PPolyproline II helixtrans-67.1134.5-177.512.8-12.3000109.8R59 C63 D66R59-P61 VanDerWaalsContact O-CD 3.22Å; R59-P61 WeakPolarHBondContact O-CD 3.47Å; P61-C63 PolarHBondContact O-N 3.37Å; P61-D66 WeakPolarHBondContact CG-OD1 3.22Å; P61-D66 WeakPolarHBondContact CG-OD2 3.44Å
62Y65.1Low52.6Low38 Ų3891.5 Ų91.515%0.14953%0.529CS..THydrogen-bonded Turntrans-65.4105.8179.3178.3-114.9000110N60 Y65 P205 V227 C228 F451 P452 V455N60-Y62 PolarHBondContact O-N 3.47Å; Y62-Y65 WeakPolarHBondContact O-CD2 3.46Å; Y62-P205 HydrophobicContact CD2-CB 4.47Å; Y62-P205 HydrophobicContact CD2-CG 3.51Å; Y62-P205 HydrophobicContact CE1-CG 4.35Å; Y62-P205 HydrophobicContact CE2-CB 4.1Å; Y62-P205 HydrophobicContact CE2-CG 3.1Å; Y62-P205 HydrophobicContact CG-CG 4.29Å; Y62-V227 HydrophobicContact CE1-CB 4.34Å; Y62-V227 HydrophobicContact CE1-CG1 4.23Å; Y62-C228 HydrophobicContact CE1-CB 3.79Å; Y62-C228 HydrophobicContact CE2-CB 4.19Å; Y62-F451 HydrophobicContact CE1-CD1 4.42Å; Y62-P452 HydrophobicContact CD1-CG 4.24Å; Y62-P452 HydrophobicContact CG-CG 3.96Å; Y62-V455 HydrophobicContact CD1-CG2 4.23Å
63C61.9Low55.6Low65 Ų6594.7 Ų94.744%0.43953%0.534SS..THydrogen-bonded Turntrans60.664.1169.2-600000116P61 Y65 C228P61-C63 PolarHBondContact O-N 3.37Å; C63-Y65 PolarHBondContact O-N 2.96Å; C63-C228 HydrophobicContact CB-CB 3.2Å; C63-C228 WeakPolarHBondContact CB-SG 3.38Å; C63-C228 WeakPolarHBondContact SG-CB 3.24Å; C63-C228 CovalentContact SG-SG 1.95Å; C63-C228 PolarHBondContact SG-SG 2.82Å
64G52.5Low58.9Low30 Ų3087.1 Ų87.131%0.30950%0.499SS..SBendtrans64.726.7170.900000112.9D66 Q67G64-D66 PolarHBondContact O-N 3.17Å; G64-D66 VanDerWaalsContact O-N 3.08Å; G64-Q67 WeakPolarHBondContact O-CA 3.42Å; G64-Q67 VanDerWaalsContact O-CB 3.31Å; G64-Q67 WeakPolarHBondContact O-CB 3.49Å; G64-Q67 PolarHBondContact O-N 2.99Å
65Y56Low61.7Low27 Ų2788.1 Ų88.111%0.10649%0.49CS..G310 helixtrans-53.8-19.8162.7-103.3-107.6000111.6Y62 C63 Q67 Q68 E454 V455 R458Y62-Y65 WeakPolarHBondContact O-CD2 3.46Å; C63-Y65 PolarHBondContact O-N 2.96Å; Y65-Q67 PolarHBondContact O-N 2.71Å; Y65-Q68 VanDerWaalsContact CE1-OE1 3.26Å; Y65-Q68 WeakPolarHBondContact O-CB 3.49Å; Y65-Q68 PolarHBondContact O-N 2.86Å; Y65-E454 HydrophobicContact CD1-CB 3.99Å; Y65-E454 HydrophobicContact CE1-CB 3.85Å; Y65-V455 HydrophobicContact CE2-CG2 4.1Å; Y65-V455 VanDerWaalsContact OH-CA 3.28Å; Y65-V455 WeakPolarHBondContact OH-CA 3.3Å; Y65-R458 HydrophobicContact CE1-CB 4.34Å; Y65-R458 WeakPolarHBondContact OH-CD 3.28Å
66D47.7Very low64.8Low126 Ų12688.2 Ų88.267%0.67448%0.483SS*.G310 helixtrans-52.5-32.4164-56.1-46.7000114.5P61 G64 Q68P61-D66 WeakPolarHBondContact CG-OD1 3.22Å; P61-D66 WeakPolarHBondContact CG-OD2 3.44Å; G64-D66 PolarHBondContact O-N 3.17Å; G64-D66 VanDerWaalsContact O-N 3.08Å; D66-Q68 VanDerWaalsContact C-N 3.34Å
67Q50.5Low67.9Low169 Ų16987.2 Ų87.279%0.7946%0.46SS*.G310 helixtrans-86.4-7.9180-58.5-175.1-13.200112.2G64 Y65 I69G64-Q67 WeakPolarHBondContact O-CA 3.42Å; G64-Q67 VanDerWaalsContact O-CB 3.31Å; G64-Q67 WeakPolarHBondContact O-CB 3.49Å; G64-Q67 PolarHBondContact O-N 2.99Å; Y65-Q67 PolarHBondContact O-N 2.71Å; Q67-I69 PolarHBondContact O-N 2.7Å; Q67-I69 VanDerWaalsContact O-N 3.11Å
68Q64.2Low70.6Confident31 Ų3182.7 Ų82.715%0.14544%0.436CS..SBendtrans-72106.1166.7-172.9173.4-4.900108Y65 D66 L70Y65-Q68 VanDerWaalsContact CE1-OE1 3.26Å; Y65-Q68 WeakPolarHBondContact O-CB 3.49Å; Y65-Q68 PolarHBondContact O-N 2.86Å; D66-Q68 VanDerWaalsContact C-N 3.34Å; Q68-L70 VanDerWaalsContact C-N 3.26Å; Q68-L70 HydrophobicContact CG-CD2 3.74Å; Q68-L70 HydrophobicContact CG-CG 4.12Å; Q68-L70 VanDerWaalsContact NE2-CD2 3.33Å; Q68-L70 PolarHBondContact O-N 3.03Å
69I70.8Confident73.3Confident164 Ų16481.8 Ų81.884%0.84142%0.423SS*.  trans-72.588.5173.6-54.5176.6000107.6Q67Q67-I69 PolarHBondContact O-N 2.7Å; Q67-I69 VanDerWaalsContact O-N 3.11Å
70L84.4Confident75.3Confident21 Ų2180.5 Ų80.511%0.1143%0.428CS..  trans-77.6134.3167.5-62.8-177.9000109Q68 E74 R75 R461Q68-L70 VanDerWaalsContact C-N 3.26Å; Q68-L70 HydrophobicContact CG-CD2 3.74Å; Q68-L70 HydrophobicContact CG-CG 4.12Å; Q68-L70 VanDerWaalsContact NE2-CD2 3.33Å; Q68-L70 PolarHBondContact O-N 3.03Å; L70-E74 HydrophobicContact CB-CB 4.08Å; L70-E74 HydrophobicContact CD2-CB 4.08Å; L70-R75 HydrophobicContact CB-CB 4.44Å; L70-R461 VanDerWaalsContact CD2-NH1 3.34Å
71S89.2Confident77.3Confident53 Ų5373.6 Ų73.637%0.37139%0.391SS..  trans-60.6158.7162.662.60000110.5Q73 E74 R75S71-Q73 PolarHBondContact O-N 2.86Å; S71-E74 WeakPolarHBondContact CB-OE2 3.35Å; S71-E74 PolarHBondContact N-OE2 3.26Å; S71-E74 PolarHBondContact O-N 2.9Å; S71-E74 VanDerWaalsContact O-N 3.08Å; S71-E74 VanDerWaalsContact OG-CG 3.26Å; S71-E74 WeakPolarHBondContact OG-CG 3.32Å; S71-E74 PolarHBondContact OG-N 3.41Å; S71-E74 PolarHBondContact OG-OE2 3.03Å; S71-R75 PolarHBondContact O-N 3.17Å
72S90.8Very high78.9Confident97 Ų9772.6 Ų72.668%0.67838%0.383SS*.Hα-helixtrans-55.7-37.2177.8-54.10000112.2R75 M76S72-R75 PolarHBondContact O-N 2.9Å; S72-M76 WeakPolarHBondContact O-CG 3.27Å; S72-M76 PolarHBondContact O-N 2.91Å
73Q91.6Very high80.1Confident154 Ų15473.9 Ų73.972%0.7240%0.401SS*.Hα-helixtrans-66.5-43.8176.9-171.4179.19.700112.3S71 R75 M76 E77S71-Q73 PolarHBondContact O-N 2.86Å; Q73-R75 VanDerWaalsContact C-N 3.3Å; Q73-R75 PolarHBondContact O-N 3.49Å; Q73-M76 PolarHBondContact O-N 3.34Å; Q73-E77 WeakPolarHBondContact O-CB 3.38Å; Q73-E77 PolarHBondContact O-N 3.48Å
74E92.4Very high81.2Confident20 Ų2072.5 Ų72.59%0.09339%0.394CS..Hα-helixtrans-64.7-36.5177.5-72.7167.6119.700112.3L70 S71 E77 E78 R461 R465L70-E74 HydrophobicContact CB-CB 4.08Å; L70-E74 HydrophobicContact CD2-CB 4.08Å; S71-E74 WeakPolarHBondContact CB-OE2 3.35Å; S71-E74 PolarHBondContact N-OE2 3.26Å; S71-E74 PolarHBondContact O-N 2.9Å; S71-E74 VanDerWaalsContact O-N 3.08Å; S71-E74 VanDerWaalsContact OG-CG 3.26Å; S71-E74 WeakPolarHBondContact OG-CG 3.32Å; S71-E74 PolarHBondContact OG-N 3.41Å; S71-E74 PolarHBondContact OG-OE2 3.03Å; E74-E77 PolarHBondContact O-N 3.43Å; E74-E78 WeakPolarHBondContact O-CB 3.44Å; E74-E78 PolarHBondContact O-N 2.87Å; E74-R461 PolarHBondContact O-NH2 3.38Å; E74-R461 VanDerWaalsContact O-NH2 3.14Å; E74-R461 VanDerWaalsContact OE1-CD 3.3Å; E74-R461 WeakPolarHBondContact OE1-CD 2.8Å; E74-R465 IonicContact OE1-CZ 3.24Å; E74-R465 IonicContact OE1-NH1 2.73Å; E74-R465 PolarHBondContact OE1-NH1 2.79Å; E74-R465 IonicContact OE1-NH2 2.86Å; E74-R465 PolarHBondContact OE1-NH2 3.08Å; E74-R465 IonicContact OE2-NH2 3.81Å
75R91.6Very high82.7Confident142 Ų14272 Ų7254%0.53639%0.385SS..Hα-helixtrans-66.5-48.1176.2-170.2176.7-63.4-165.7-2.1111.3L70 S71 S72 Q73 E77 E78 D79L70-R75 HydrophobicContact CB-CB 4.44Å; S71-R75 PolarHBondContact O-N 3.17Å; S72-R75 PolarHBondContact O-N 2.9Å; Q73-R75 VanDerWaalsContact C-N 3.3Å; Q73-R75 PolarHBondContact O-N 3.49Å; R75-E77 VanDerWaalsContact C-N 3.28Å; R75-E77 PolarHBondContact O-N 2.8Å; R75-E78 WeakPolarHBondContact O-CB 3.08Å; R75-E78 PolarHBondContact O-N 2.86Å; R75-E78 VanDerWaalsContact O-N 3.13Å; R75-D79 VanDerWaalsContact O-CG 3.3Å; R75-D79 PolarHBondContact O-N 2.59Å
76M92.6Very high83.3Confident125 Ų12575.7 Ų75.762%0.61640%0.403SS*.Hα-helixtrans-59.5-39.1175.5-72.1-174.1-64.200112.4S72 Q73 S80S72-M76 WeakPolarHBondContact O-CG 3.27Å; S72-M76 PolarHBondContact O-N 2.91Å; Q73-M76 PolarHBondContact O-N 3.34Å; M76-S80 VanDerWaalsContact O-CB 3.23Å; M76-S80 WeakPolarHBondContact O-CB 3.49Å; M76-S80 PolarHBondContact O-N 3.23Å
77E93.8Very high83.9Confident47 Ų4773 Ų7322%0.2238%0.383CS..Hα-helixtrans-63.5-45.8174174.1178-105.700111.8Q73 E74 R75 S80 L81 R461 R464Q73-E77 WeakPolarHBondContact O-CB 3.38Å; Q73-E77 PolarHBondContact O-N 3.48Å; E74-E77 PolarHBondContact O-N 3.43Å; R75-E77 VanDerWaalsContact C-N 3.28Å; R75-E77 PolarHBondContact O-N 2.8Å; E77-S80 PolarHBondContact O-N 2.79Å; E77-L81 HydrophobicContact CG-CD1 3.89Å; E77-L81 HydrophobicContact CG-CG 4.38Å; E77-L81 WeakPolarHBondContact O-CB 3.4Å; E77-L81 WeakPolarHBondContact O-CG 3.31Å; E77-L81 PolarHBondContact O-N 2.79Å; E77-R461 IonicContact OE2-NE 3.79Å; E77-R464 IonicContact OE1-CZ 2.72Å; E77-R464 IonicContact OE1-NH1 2.59Å; E77-R464 PolarHBondContact OE1-NH1 2.99Å; E77-R464 IonicContact OE1-NH2 3.55Å; E77-R464 PolarHBondContact OE1-NH2 2.91Å; E77-R464 IonicContact OE2-CZ 3.81Å; E77-R464 IonicContact OE2-NH1 3.39Å; E77-R464 IonicContact OE2-NH2 3.74Å; E77-R464 PolarHBondContact OE2-NH2 2.8Å
78E93.6Very high84Confident20 Ų2070.9 Ų70.99%0.09337%0.373CS..Hα-helixtrans-59.5-49.7177.2-165.3155.9112.300111.6E74 R75 S80 L81 L82 I457 R461E74-E78 WeakPolarHBondContact O-CB 3.44Å; E74-E78 PolarHBondContact O-N 2.87Å; R75-E78 WeakPolarHBondContact O-CB 3.08Å; R75-E78 PolarHBondContact O-N 2.86Å; R75-E78 VanDerWaalsContact O-N 3.13Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 2.77Å; E78-L81 WeakPolarHBondContact O-CB 3.38Å; E78-L81 PolarHBondContact O-N 2.84Å; E78-L81 VanDerWaalsContact O-N 3.14Å; E78-L82 HydrophobicContact CG-CD1 4.22Å; E78-L82 WeakPolarHBondContact O-CG 3.49Å; E78-L82 PolarHBondContact O-N 2.86Å; E78-I457 HydrophobicContact CG-CD1 4.02Å; E78-I457 HydrophobicContact CG-CG2 4.14Å; E78-R461 IonicContact OE2-CZ 3.23Å; E78-R461 IonicContact OE2-NH1 3.61Å; E78-R461 PolarHBondContact OE2-NH1 3.14Å; E78-R461 IonicContact OE2-NH2 2.7Å; E78-R461 PolarHBondContact OE2-NH2 2.88Å
79D91.8Very high83.6Confident92 Ų9270.9 Ų70.949%0.49238%0.375SS..Hα-helixtrans-59.8-42178-67.3-25.8000111R75 L82 A83R75-D79 VanDerWaalsContact O-CG 3.3Å; R75-D79 PolarHBondContact O-N 2.59Å; D79-L82 PolarHBondContact O-N 3.42Å; D79-A83 WeakPolarHBondContact O-CB 3.38Å; D79-A83 PolarHBondContact O-N 3.21Å
80S93Very high82.8Confident67 Ų6764.1 Ų64.147%0.46934%0.342SS..Hα-helixtrans-64-40.9175.6-179.70000112.6M76 E77 E78 A84M76-S80 VanDerWaalsContact O-CB 3.23Å; M76-S80 WeakPolarHBondContact O-CB 3.49Å; M76-S80 PolarHBondContact O-N 3.23Å; E77-S80 PolarHBondContact O-N 2.79Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 2.77Å; S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 2.82Å
81L93.2Very high81.6Confident8 Ų870.7 Ų70.74%0.04238%0.377CS..Hα-helixtrans-66.7-38.3176-72168.8000112.1E77 E78 A84 I457 I508 R511 M512E77-L81 HydrophobicContact CG-CD1 3.89Å; E77-L81 HydrophobicContact CG-CG 4.38Å; E77-L81 WeakPolarHBondContact O-CB 3.4Å; E77-L81 WeakPolarHBondContact O-CG 3.31Å; E77-L81 PolarHBondContact O-N 2.79Å; E78-L81 WeakPolarHBondContact O-CB 3.38Å; E78-L81 PolarHBondContact O-N 2.84Å; E78-L81 VanDerWaalsContact O-N 3.14Å; L81-A84 VanDerWaalsContact O-CB 3.28Å; L81-A84 WeakPolarHBondContact O-CB 3.28Å; L81-I457 HydrophobicContact CB-CD1 4.06Å; L81-I457 HydrophobicContact CD1-CD1 4.35Å; L81-I457 HydrophobicContact CD1-CG1 4.22Å; L81-I457 HydrophobicContact CD1-CG2 4.02Å; L81-I508 HydrophobicContact CD1-CG2 4.41Å; L81-I508 HydrophobicContact CD2-CG2 4.49Å; L81-R511 HydrophobicContact CD2-CB 3.38Å; L81-R511 HydrophobicContact CD2-CG 4.26Å; L81-M512 HydrophobicContact CD1-CE 3.57Å
82L91.4Very high80.3Confident29 Ų2971.2 Ų71.215%0.15238%0.378CS..Hα-helixtrans-73.1-41.3176.7-67.1174.6000111.3E78 D79 A84 L85 H86 L453 E454 I457E78-L82 HydrophobicContact CG-CD1 4.22Å; E78-L82 WeakPolarHBondContact O-CG 3.49Å; E78-L82 PolarHBondContact O-N 2.86Å; D79-L82 PolarHBondContact O-N 3.42Å; L82-A84 VanDerWaalsContact C-N 3.27Å; L82-A84 PolarHBondContact O-N 3.41Å; L82-L85 PolarHBondContact O-N 3.16Å; L82-H86 PolarHBondContact O-N 3.02Å; L82-H86 VanDerWaalsContact O-N 3.1Å; L82-L453 HydrophobicContact CD2-CB 3.79Å; L82-L453 HydrophobicContact CD2-CD1 3.91Å; L82-E454 HydrophobicContact CD1-CG 4.49Å; L82-I457 HydrophobicContact CD2-CD1 3.9Å; L82-I457 HydrophobicContact CG-CD1 4.06Å
83A88.3Confident79.3Confident64 Ų6470.2 Ų70.253%0.52938%0.375SS..Hα-helixtrans-61-36.3175.500000112D79 L85 H86D79-A83 WeakPolarHBondContact O-CB 3.38Å; D79-A83 PolarHBondContact O-N 3.21Å; A83-L85 PolarHBondContact O-N 3.04Å; A83-H86 WeakPolarHBondContact O-CB 3.47Å; A83-H86 PolarHBondContact O-N 3.19Å; A83-H86 VanDerWaalsContact O-N 3.13Å
84A85.7Confident78.8Confident36 Ų3669.3 Ų69.330%0.29838%0.383SS..THydrogen-bonded Turntrans-55.5-32.7173.100000114.8S80 L81 L82S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 2.82Å; L81-A84 VanDerWaalsContact O-CB 3.28Å; L81-A84 WeakPolarHBondContact O-CB 3.28Å; L82-A84 VanDerWaalsContact C-N 3.27Å; L82-A84 PolarHBondContact O-N 3.41Å
85L84.9Confident78.5Confident21 Ų2169.8 Ų69.811%0.1139%0.387CS..THydrogen-bonded Turntrans-97.9-7.8-176.3-70.8179.8000112.5L82 A83 R87 L453 Q504 T507 I508L82-L85 PolarHBondContact O-N 3.16Å; A83-L85 PolarHBondContact O-N 3.04Å; L85-R87 PolarHBondContact O-N 2.89Å; L85-L453 HydrophobicContact CD1-CD1 3.55Å; L85-Q504 HydrophobicContact CD1-CB 3.87Å; L85-Q504 HydrophobicContact CD1-CG 4.24Å; L85-Q504 HydrophobicContact CD2-CB 4.15Å; L85-Q504 HydrophobicContact CD2-CG 4.07Å; L85-T507 HydrophobicContact CD2-CG2 3.7Å; L85-T507 HydrophobicContact CG-CG2 4.45Å; L85-I508 HydrophobicContact CD1-CD1 3.58Å; L85-I508 HydrophobicContact CD1-CG1 3.66Å
86H68.3Low78.5Confident103 Ų10366.7 Ų66.748%0.47739%0.386SS..  trans-6970.5173.5-151.397.5000109.2L82 A83 Q88L82-H86 PolarHBondContact O-N 3.02Å; L82-H86 VanDerWaalsContact O-N 3.1Å; A83-H86 WeakPolarHBondContact O-CB 3.47Å; A83-H86 PolarHBondContact O-N 3.19Å; A83-H86 VanDerWaalsContact O-N 3.13Å; H86-Q88 PolarHBondContact O-N 2.92Å
87R60.6Low78.6Confident71 Ų7163.1 Ų63.127%0.26837%0.367SS..  trans-59.4132.8151.9-60.3-168-161.41643.5104.6L85 V89 Y143L85-R87 PolarHBondContact O-N 2.89Å; R87-V89 PolarHBondContact O-N 2.69Å; R87-Y143 VanDerWaalsContact NH1-CD2 3.33Å
88Q51.8Low78.7Confident124 Ų12464.3 Ų64.358%0.57938%0.377SS*.  trans-60.588.3171.2-68.3178-5.300106.9H86 P90H86-Q88 PolarHBondContact O-N 2.92Å; Q88-P90 WeakPolarHBondContact O-CD 3.37Å; Q88-P90 VanDerWaalsContact O-N 3.08Å
89V55.5Low78.8Confident30 Ų3068.5 Ų68.518%0.18240%0.395CS..  trans-65.8111.6166.6-173.10000102.4R87 D91 R195R87-V89 PolarHBondContact O-N 2.69Å; V89-D91 PolarHBondContact O-N 3.14Å; V89-D91 VanDerWaalsContact O-N 3.13Å; V89-R195 HydrophobicContact CG1-CB 4.44Å; V89-R195 VanDerWaalsContact CG1-NE 3.27Å; V89-R195 PolarHBondContact O-NH2 3.35Å
90P53.9Low79Confident23 Ų2364.1 Ų64.115%0.14937%0.371CS..  trans-57.1126.3-167-24.132.9000108.6Q88 V92 Y139 G140 R195Q88-P90 WeakPolarHBondContact O-CD 3.37Å; Q88-P90 VanDerWaalsContact O-N 3.08Å; P90-V92 HydrophobicContact CB-CB 4.32Å; P90-V92 HydrophobicContact CB-CG2 3.41Å; P90-V92 VanDerWaalsContact CB-CG2 3.41Å; P90-V92 PolarHBondContact O-N 3.31Å; P90-Y139 HydrophobicContact CB-CD2 4.14Å; P90-Y139 HydrophobicContact CB-CG 4.36Å; P90-Y139 HydrophobicContact CG-CD2 3.76Å; P90-Y139 HydrophobicContact CG-CG 4.29Å; P90-G140 VanDerWaalsContact CG-O 3.26Å; P90-G140 WeakPolarHBondContact CG-O 3.38Å; P90-R195 VanDerWaalsContact C-NH2 3.28Å; P90-R195 PolarHBondContact O-NH2 3.12Å
91D60.2Low79.1Confident159 Ų15961 Ų6185%0.8535%0.349SS*.  trans-72.662.7174-163.223.2000109.3V89V89-D91 PolarHBondContact O-N 3.14Å; V89-D91 VanDerWaalsContact O-N 3.13Å
92V60.8Low79.4Confident64 Ų6460.9 Ų60.939%0.38835%0.349SS..  trans-102.9130.5-176.9-178.50000106.3P90 V95 Y139P90-V92 HydrophobicContact CB-CB 4.32Å; P90-V92 HydrophobicContact CB-CG2 3.41Å; P90-V92 VanDerWaalsContact CB-CG2 3.41Å; P90-V92 PolarHBondContact O-N 3.31Å; V92-V95 HydrophobicContact CB-CG2 4.36Å; V92-V95 HydrophobicContact CG1-CG2 3.5Å; V92-Y139 HydrophobicContact CG2-CD1 4.35Å; V92-Y139 HydrophobicContact CG2-CG 4.32Å
93A70.4Confident79.7Confident75 Ų7559.6 Ų59.662%0.6234%0.342SS*.  trans-48.8154.717300000111V95A93-V95 VanDerWaalsContact O-CG2 3.29Å; A93-V95 WeakPolarHBondContact O-CG2 3.43Å; A93-V95 PolarHBondContact O-N 2.82Å
94P80.1Confident80.1Confident135 Ų13560.7 Ų60.788%0.87735%0.346SS*.  trans-44.9111.3-176.6-30.335.3000112.7
95V86.4Confident80.6Confident31 Ų3160.1 Ų60.119%0.18834%0.34CS..  trans-88.2124.8-177-179.10000108.5V92 A93 K99 E192 F280V92-V95 HydrophobicContact CB-CG2 4.36Å; V92-V95 HydrophobicContact CG1-CG2 3.5Å; A93-V95 VanDerWaalsContact O-CG2 3.29Å; A93-V95 WeakPolarHBondContact O-CG2 3.43Å; A93-V95 PolarHBondContact O-N 2.82Å; V95-K99 HydrophobicContact CG1-CB 3.61Å; V95-E192 HydrophobicContact CB-CG 3.76Å; V95-E192 HydrophobicContact CG1-CG 4.07Å; V95-E192 HydrophobicContact CG2-CG 4.36Å; V95-F280 WeakPolarHBondContact O-CZ 3.34Å
96P92.6Very high81.3Confident77 Ų7759.2 Ų59.250%0.534%0.335SS..  trans-61.6149174.2-22.633.1000112V98 K99 S100P96-V98 PolarHBondContact O-N 2.91Å; P96-V98 VanDerWaalsContact O-N 3.1Å; P96-K99 WeakPolarHBondContact O-CA 3.41Å; P96-K99 PolarHBondContact O-N 3.37Å; P96-S100 PolarHBondContact O-N 3.24Å
97F94.9Very high82.7Confident50 Ų5058 Ų5822%0.21933%0.327CS..G310 helixtrans-47.3-43.9178.7171.1-110.9000114.1K99 S100 F132 A279 F280 V285 N286F97-K99 PolarHBondContact O-N 2.88Å; F97-K99 VanDerWaalsContact O-N 3.07Å; F97-S100 WeakPolarHBondContact O-CB 3.27Å; F97-S100 PolarHBondContact O-N 3.48Å; F97-S100 PolarHBondContact O-OG 2.87Å; F97-F132 HydrophobicContact CD2-CE2 4.29Å; F97-F132 HydrophobicContact CE1-CD2 4.45Å; F97-F132 HydrophobicContact CE1-CE2 4.38Å; F97-F132 HydrophobicContact CE1-CZ 4.45Å; F97-F132 HydrophobicContact CE2-CD2 4.16Å; F97-F132 AromaticContact CE2-CE2 3.48Å; F97-F132 HydrophobicContact CE2-CE2 3.48Å; F97-F132 VanDerWaalsContact CE2-CE2 3.48Å; F97-F132 AromaticContact CE2-CZ 3.75Å; F97-F132 HydrophobicContact CE2-CZ 3.75Å; F97-F132 HydrophobicContact CZ-CD1 4.39Å; F97-F132 HydrophobicContact CZ-CD2 4.04Å; F97-F132 AromaticContact CZ-CE1 3.92Å; F97-F132 HydrophobicContact CZ-CE1 3.92Å; F97-F132 AromaticContact CZ-CE2 3.55Å; F97-F132 HydrophobicContact CZ-CE2 3.55Å; F97-F132 HydrophobicContact CZ-CG 4.45Å; F97-F132 AromaticContact CZ-CZ 3.48Å; F97-F132 HydrophobicContact CZ-CZ 3.48Å; F97-F132 VanDerWaalsContact CZ-CZ 3.48Å; F97-F132 WeakPolarHBondContact O-CD2 3.46Å; F97-A279 HydrophobicContact CB-CB 3.82Å; F97-A279 HydrophobicContact CD1-CB 4.22Å; F97-A279 HydrophobicContact CD2-CB 3.78Å; F97-A279 WeakPolarHBondContact CD2-O 3.49Å; F97-A279 HydrophobicContact CE2-CB 4.46Å; F97-A279 WeakPolarHBondContact CE2-O 2.98Å; F97-A279 HydrophobicContact CG-CB 3.64Å; F97-F280 HydrophobicContact CB-CE1 4.23Å; F97-F280 HydrophobicContact CD2-CD1 4.09Å; F97-F280 HydrophobicContact CD2-CE1 4.25Å; F97-V285 HydrophobicContact CZ-CG1 4.3Å; F97-N286 WeakPolarHBondContact CE2-ND2 3.03Å
98V96Very high84.5Confident71 Ų7154.8 Ų54.843%0.4332%0.315SS..G310 helixtrans-63-18.6-178.6-174.80000113P96 F132 Q133P96-V98 PolarHBondContact O-N 2.91Å; P96-V98 VanDerWaalsContact O-N 3.1Å; V98-F132 HydrophobicContact CG1-CB 4.42Å; V98-F132 WeakPolarHBondContact O-CB 3Å; V98-F132 PolarHBondContact O-N 3.44Å; V98-Q133 HydrophobicContact CG1-CG 3.57Å
99K94.7Very high86.7Confident109 Ų10951.6 Ų51.647%0.47430%0.304SS..G310 helixtrans-102.52.7175.6-65.7-174.4180178.30113.4V95 P96 F97 D131V95-K99 HydrophobicContact CG1-CB 3.61Å; P96-K99 WeakPolarHBondContact O-CA 3.41Å; P96-K99 PolarHBondContact O-N 3.37Å; F97-K99 PolarHBondContact O-N 2.88Å; F97-K99 VanDerWaalsContact O-N 3.07Å; K99-D131 WeakPolarHBondContact O-CB 3.42Å
100S95.3Very high88.7Confident0 Ų050.4 Ų50.40%030%0.296CS..SBendtrans-83.8165.6174.270.80000111.9P96 F97 D102 D131 F132 E192P96-S100 PolarHBondContact O-N 3.24Å; F97-S100 WeakPolarHBondContact O-CB 3.27Å; F97-S100 PolarHBondContact O-N 3.48Å; F97-S100 PolarHBondContact O-OG 2.87Å; S100-D102 PolarHBondContact O-N 2.89Å; S100-D131 WeakPolarHBondContact O-CA 3.28Å; S100-D131 WeakPolarHBondContact O-CB 3.36Å; S100-F132 WeakPolarHBondContact O-CD2 3.36Å; S100-F132 PolarHBondContact O-N 3.15Å; S100-E192 WeakPolarHBondContact CB-OE2 3.44Å
101T96.8Very high90.7Very high0 Ų052.1 Ų52.10%030%0.304CS..EExtended strand (participates in β ladder)trans-59.5122-175.9-510000112.2V129 K137 D142 L187T101-V129 HydrophobicContact CG2-CB 3.87Å; T101-V129 HydrophobicContact CG2-CG1 4.12Å; T101-K137 WeakPolarHBondContact OG1-CD 3.42Å; T101-K137 PolarHBondContact OG1-NZ 3.46Å; T101-D142 WeakPolarHBondContact CB-OD1 3.37Å; T101-D142 VanDerWaalsContact OG1-CG 3.27Å; T101-D142 PolarHBondContact OG1-OD1 3.46Å; T101-D142 PolarHBondContact OG1-OD2 3.15Å; T101-L187 HydrophobicContact CG2-CD1 4.15Å; T101-L187 HydrophobicContact CG2-CD2 3.83Å
102D97.9Very high92.1Very high7 Ų750.6 Ų50.64%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-100.8110.3172.3176.611.5000109.7S100 S104 S105 S106 Q130 F132S100-D102 PolarHBondContact O-N 2.89Å; D102-S104 VanDerWaalsContact CG-OG 3.22Å; D102-S104 PolarHBondContact O-N 2.84Å; D102-S104 WeakPolarHBondContact OD1-CB 3.3Å; D102-S104 PolarHBondContact OD1-N 3.49Å; D102-S104 PolarHBondContact OD1-OG 3.4Å; D102-S104 PolarHBondContact OD2-OG 3.12Å; D102-S105 PolarHBondContact O-N 2.82Å; D102-S105 WeakPolarHBondContact OD2-CB 3.22Å; D102-S105 PolarHBondContact OD2-N 3.06Å; D102-S105 PolarHBondContact OD2-OG 2.63Å; D102-S106 VanDerWaalsContact O-CB 3.3Å; D102-S106 WeakPolarHBondContact O-CB 3.35Å; D102-S106 PolarHBondContact O-N 2.68Å; D102-S106 PolarHBondContact O-OG 2.99Å; D102-Q130 PolarHBondContact N-O 3.27Å; D102-F132 HydrophobicContact CB-CB 4.34Å; D102-F132 HydrophobicContact CB-CD1 3.77Å; D102-F132 HydrophobicContact CB-CD2 3.83Å; D102-F132 HydrophobicContact CB-CE1 3.91Å; D102-F132 HydrophobicContact CB-CE2 3.95Å; D102-F132 HydrophobicContact CB-CG 3.72Å; D102-F132 HydrophobicContact CB-CZ 3.98Å
103P97.6Very high93.1Very high2 Ų249.5 Ų49.51%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-65-24.8178.626.8-32.6000112.9L187 V285 M289 I291P103-L187 HydrophobicContact CB-CB 4.06Å; P103-L187 HydrophobicContact CB-CD2 3.91Å; P103-L187 HydrophobicContact CG-CD2 3.96Å; P103-V285 WeakPolarHBondContact CD-O 3.47Å; P103-V285 WeakPolarHBondContact CG-O 3.01Å; P103-M289 HydrophobicContact CB-CB 3.8Å; P103-M289 HydrophobicContact CG-CB 3.51Å; P103-M289 HydrophobicContact CG-CG 4.08Å; P103-I291 HydrophobicContact CB-CG1 4.27Å
104S97.2Very high93.6Very high87 Ų8750.7 Ų50.761%0.60830%0.301SS*.EExtended strand (participates in β ladder)trans-77.7-31.7-178.174.80000113.3D102D102-S104 VanDerWaalsContact CG-OG 3.22Å; D102-S104 PolarHBondContact O-N 2.84Å; D102-S104 WeakPolarHBondContact OD1-CB 3.3Å; D102-S104 PolarHBondContact OD1-N 3.49Å; D102-S104 PolarHBondContact OD1-OG 3.4Å; D102-S104 PolarHBondContact OD2-OG 3.12Å
105S97.2Very high93.7Very high23 Ų2346.4 Ų46.416%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-88.3-21.3173.3-60.10000112.8D102 Q130D102-S105 PolarHBondContact O-N 2.82Å; D102-S105 WeakPolarHBondContact OD2-CB 3.22Å; D102-S105 PolarHBondContact OD2-N 3.06Å; D102-S105 PolarHBondContact OD2-OG 2.63Å; S105-Q130 PolarHBondContact O-OE1 2.91Å; S105-Q130 VanDerWaalsContact O-OE1 3.09Å
106S98.4Very high94Very high2 Ų251.9 Ų51.91%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-72.5156.1174.3-59.90000111.8D102 V129 Q130D102-S106 VanDerWaalsContact O-CB 3.3Å; D102-S106 WeakPolarHBondContact O-CB 3.35Å; D102-S106 PolarHBondContact O-N 2.68Å; D102-S106 PolarHBondContact O-OG 2.99Å; S106-V129 WeakPolarHBondContact OG-CA 3.16Å; S106-Q130 PolarHBondContact OG-N 3.42Å
107Y98.6Very high94Very high77 Ų7749.4 Ų49.430%0.30228%0.28SS..EExtended strand (participates in β ladder)trans-149164.6177.562.4-90.7000113V109 H128 N292Y107-V109 HydrophobicContact CD2-CG2 4.05Å; Y107-V109 HydrophobicContact CE2-CG2 4.04Å; Y107-H128 HydrophobicContact CE1-CB 4.35Å; Y107-H128 AromaticContact CE1-ND1 3.79Å; Y107-H128 HydrophobicContact CE2-CB 4.11Å; Y107-H128 AromaticContact CZ-ND1 3.47Å; Y107-H128 PolarHBondContact N-O 3.27Å; Y107-H128 VanDerWaalsContact N-O 3.09Å; Y107-H128 PolarHBondContact O-N 2.8Å; Y107-H128 PolarHBondContact OH-ND1 2.95Å; Y107-N292 CarbonylContact C-O 3.58Å; Y107-N292 WeakPolarHBondContact CA-O 3.43Å; Y107-N292 WeakPolarHBondContact CB-O 3.4Å
108F98.7Very high93.9Very high4 Ų450.9 Ų50.92%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-123.9155169.475.2-95.3000112.9I110 V125 L126 V127 V183 I185 I291 N292 S293 S294 D297F108-I110 HydrophobicContact CD2-CG1 4.36Å; F108-I110 HydrophobicContact CE2-CD1 4.46Å; F108-I110 HydrophobicContact CE2-CG1 4.05Å; F108-V125 HydrophobicContact CB-CG1 3.98Å; F108-V125 HydrophobicContact CD2-CG1 3.49Å; F108-V125 VanDerWaalsContact CD2-CG1 3.49Å; F108-V125 HydrophobicContact CE2-CG1 4.33Å; F108-V125 HydrophobicContact CG-CG1 4.07Å; F108-L126 CarbonylContact C-O 3.53Å; F108-L126 WeakPolarHBondContact CA-O 3.39Å; F108-L126 WeakPolarHBondContact CB-O 3.46Å; F108-V127 HydrophobicContact CB-CB 4.45Å; F108-V127 HydrophobicContact CB-CG1 4.45Å; F108-V127 HydrophobicContact CB-CG2 4.08Å; F108-V183 HydrophobicContact CD2-CG1 4.36Å; F108-V183 HydrophobicContact CE2-CB 4.02Å; F108-V183 HydrophobicContact CE2-CG1 3.76Å; F108-V183 HydrophobicContact CZ-CB 4.23Å; F108-V183 HydrophobicContact CZ-CG1 4.01Å; F108-I185 HydrophobicContact CB-CD1 3.75Å; F108-I185 HydrophobicContact CD1-CB 4.28Å; F108-I185 HydrophobicContact CD1-CD1 3.99Å; F108-I185 HydrophobicContact CD1-CG1 4.19Å; F108-I185 HydrophobicContact CD2-CD1 4.2Å; F108-I185 HydrophobicContact CE1-CG1 4.47Å; F108-I185 HydrophobicContact CG-CD1 3.72Å; F108-I185 HydrophobicContact CG-CG1 4.39Å; F108-I291 HydrophobicContact CD1-CG2 4.37Å; F108-I291 WeakPolarHBondContact CD1-O 3.19Å; F108-I291 VanDerWaalsContact CE1-O 3.23Å; F108-I291 WeakPolarHBondContact CE1-O 3.5Å; F108-N292 WeakPolarHBondContact CD1-O 3.39Å; F108-N292 PolarHBondContact N-O 3Å; F108-S293 WeakPolarHBondContact O-CA 3.17Å; F108-S294 PolarHBondContact O-N 2.92Å; F108-D297 HydrophobicContact CZ-CB 4.13Å
109V98.2Very high93.7Very high58 Ų5849.2 Ų49.235%0.35228%0.277SS..EExtended strand (participates in β ladder)trans-129.3128176.8-179.80000108.8Y107 V125 L126Y107-V109 HydrophobicContact CD2-CG2 4.05Å; Y107-V109 HydrophobicContact CE2-CG2 4.04Å; V109-V125 WeakPolarHBondContact O-CA 3.49Å; V109-V125 WeakPolarHBondContact O-CG1 3.42Å; V109-L126 PolarHBondContact N-O 3.14Å; V109-L126 PolarHBondContact O-N 3.47Å
110I97.8Very high93.5Very high5 Ų546.3 Ų46.33%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-79.6123171.7-57.3-178.9000108.5F108 L123 V125 V183 P296 V299F108-I110 HydrophobicContact CD2-CG1 4.36Å; F108-I110 HydrophobicContact CE2-CD1 4.46Å; F108-I110 HydrophobicContact CE2-CG1 4.05Å; I110-L123 HydrophobicContact CG2-CD1 3.63Å; I110-L123 HydrophobicContact CG2-CD2 4.25Å; I110-L123 HydrophobicContact CG2-CG 4.21Å; I110-V125 HydrophobicContact CG1-CG2 4.18Å; I110-V183 HydrophobicContact CD1-CB 4.13Å; I110-V183 HydrophobicContact CD1-CG2 3.63Å; I110-V183 HydrophobicContact CG1-CG2 4.19Å; I110-P296 VanDerWaalsContact CD1-O 3.3Å; I110-P296 WeakPolarHBondContact CD1-O 3.27Å; I110-V299 HydrophobicContact CD1-CG1 4.31Å; I110-V299 HydrophobicContact CG2-CG1 3.76Å
111L94.6Very high93.3Very high59 Ų5948.1 Ų48.131%0.30929%0.291SS..THydrogen-bonded Turntrans-73.2135.4177.3-55.2-174.1000109.6S113 E124 L126L111-S113 VanDerWaalsContact C-N 3.31Å; L111-S113 PolarHBondContact O-N 3Å; L111-E124 HydrophobicContact CB-CB 4.32Å; L111-E124 HydrophobicContact CD1-CB 3.87Å; L111-E124 HydrophobicContact CG-CB 4.31Å; L111-E124 PolarHBondContact N-O 3.19Å; L111-L126 HydrophobicContact CD2-CB 4.37Å
112N89.5Confident93.1Very high127 Ų12753 Ų5368%0.67931%0.314SS*.THydrogen-bonded Turntrans5737.6-178-55.7-39.6000114.3A114 A115 F117N112-A114 PolarHBondContact O-N 2.67Å; N112-A114 VanDerWaalsContact O-N 3.12Å; N112-A115 HydrophobicContact CB-CB 4.38Å; N112-A115 WeakPolarHBondContact O-CB 3.19Å; N112-A115 PolarHBondContact O-N 3.26Å; N112-F117 HydrophobicContact CB-CZ 4.25Å; N112-F117 WeakPolarHBondContact O-CE2 3.47Å
113S82.9Confident93Very high40 Ų4052.7 Ų52.728%0.2831%0.312SS..THydrogen-bonded Turntrans-59.8-23.2-176.359.60000115.4L111 A115L111-S113 VanDerWaalsContact C-N 3.31Å; L111-S113 PolarHBondContact O-N 3Å; S113-A115 VanDerWaalsContact C-N 3.31Å
114A79.6Confident93Very high101 Ų10155.4 Ų55.484%0.83533%0.325SS*.THydrogen-bonded Turntrans-78.4-12.4175.800000113.8N112N112-A114 PolarHBondContact O-N 2.67Å; N112-A114 VanDerWaalsContact O-N 3.12Å
115A83.7Confident93Very high45 Ų4551.3 Ų51.337%0.37230%0.296SS..SBendtrans-80151.6-179.700000112N112 S113 F117N112-A115 HydrophobicContact CB-CB 4.38Å; N112-A115 WeakPolarHBondContact O-CB 3.19Å; N112-A115 PolarHBondContact O-N 3.26Å; S113-A115 VanDerWaalsContact C-N 3.31Å; A115-F117 HydrophobicContact CB-CE2 4.23Å; A115-F117 HydrophobicContact CB-CZ 4.48Å; A115-F117 WeakPolarHBondContact O-CD2 3.39Å; A115-F117 WeakPolarHBondContact O-CE2 3.31Å
116F91.1Very high93.1Very high146 Ų14652.9 Ų52.964%0.6430%0.302SS*.EExtended strand (participates in β ladder)trans-84.6126.5164.4-65-83.3000109T300 I302F116-T300 HydrophobicContact CD1-CG2 3.7Å; F116-T300 HydrophobicContact CE1-CG2 3.86Å; F116-I302 HydrophobicContact CB-CG2 4.4Å; F116-I302 HydrophobicContact CD1-CG2 4.18Å
117F93.1Very high93.1Very high24 Ų2452.8 Ų52.811%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-98.8146.7178.6-67.4-96.4000110.4N112 A115 L123 L175 V299 T300 V301 I302N112-F117 HydrophobicContact CB-CZ 4.25Å; N112-F117 WeakPolarHBondContact O-CE2 3.47Å; A115-F117 HydrophobicContact CB-CE2 4.23Å; A115-F117 HydrophobicContact CB-CZ 4.48Å; A115-F117 WeakPolarHBondContact O-CD2 3.39Å; A115-F117 WeakPolarHBondContact O-CE2 3.31Å; F117-L123 HydrophobicContact CD1-CD1 4.39Å; F117-L123 HydrophobicContact CE1-CD1 3.75Å; F117-L123 HydrophobicContact CE2-CD1 3.94Å; F117-L123 HydrophobicContact CZ-CD1 3.49Å; F117-L123 VanDerWaalsContact CZ-CD1 3.49Å; F117-L175 HydrophobicContact CB-CD1 3.31Å; F117-L175 HydrophobicContact CD1-CD1 3.86Å; F117-L175 HydrophobicContact CD2-CD1 4.49Å; F117-L175 HydrophobicContact CG-CD1 3.64Å; F117-V299 HydrophobicContact CD2-CB 3.92Å; F117-V299 HydrophobicContact CD2-CG1 4.2Å; F117-V299 HydrophobicContact CD2-CG2 4.24Å; F117-V299 HydrophobicContact CE2-CB 4.04Å; F117-V299 HydrophobicContact CE2-CG1 3.79Å; F117-T300 PolarHBondContact N-O 3.08Å; F117-V301 CarbonylContact O-C 3.57Å; F117-V301 WeakPolarHBondContact O-CA 3.4Å; F117-I302 WeakPolarHBondContact O-CG1 3.47Å; F117-I302 PolarHBondContact O-N 3.5Å
118Q92.5Very high93.1Very high81 Ų8150 Ų5038%0.37929%0.291SS..EExtended strand (participates in β ladder)trans-90.4150.8171.3-65.2-176.5-1.300110.8G120 S121 I302Q118-G120 PolarHBondContact O-N 3.32Å; Q118-S121 PolarHBondContact N-OG 2.78Å; Q118-S121 WeakPolarHBondContact O-CB 3.27Å; Q118-S121 PolarHBondContact O-N 3.09Å; Q118-S121 PolarHBondContact O-OG 2.83Å; Q118-I302 HydrophobicContact CG-CD1 4.12Å; Q118-I302 HydrophobicContact CG-CG1 3.97Å
119V92.8Very high93Very high36 Ų3649.9 Ų49.922%0.21829%0.291CS..THydrogen-bonded Turntrans-55131.1168.4177.50000109.9P178 V301 I302V119-P178 HydrophobicContact CG2-CB 4.2Å; V119-V301 HydrophobicContact CG2-CG1 3.76Å; V119-I302 PolarHBondContact N-O 2.83Å; V119-I302 VanDerWaalsContact N-O 3.14Å
120G89.4Confident93Very high48 Ų4848.5 Ų48.550%0.49528%0.28SS..THydrogen-bonded Turntrans96.2-13.6-173.300000114.1Q118 L175Q118-G120 PolarHBondContact O-N 3.32Å; G120-L175 PolarHBondContact N-O 3.37Å
121S91.3Very high93Very high38 Ų3848.9 Ų48.927%0.26628%0.282SS..PPolyproline II helixtrans-68.1151.6176.5-51.50000111.3Q118 L175Q118-S121 PolarHBondContact N-OG 2.78Å; Q118-S121 WeakPolarHBondContact O-CB 3.27Å; Q118-S121 PolarHBondContact O-N 3.09Å; Q118-S121 PolarHBondContact O-OG 2.83Å; S121-L175 PolarHBondContact O-N 3.27Å
122Q92.9Very high93.1Very high103 Ų10348.7 Ų48.748%0.48128%0.279SS..EExtended strand (participates in β ladder)trans-88.5129.5170.4-167.7173.964.800109.9F172 F173Q122-F172 HydrophobicContact CG-CB 4.43Å; Q122-F172 HydrophobicContact CG-CD1 4.24Å; Q122-F173 CarbonylContact C-O 3.39Å; Q122-F173 VanDerWaalsContact CA-O 3.29Å; Q122-F173 WeakPolarHBondContact CA-O 3.31Å
123L95.7Very high93.5Very high1 Ų146.8 Ų46.81%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-100133170.8-177.970.1000109.1I110 F117 V125 F173 L175 V183 V299I110-L123 HydrophobicContact CG2-CD1 3.63Å; I110-L123 HydrophobicContact CG2-CD2 4.25Å; I110-L123 HydrophobicContact CG2-CG 4.21Å; F117-L123 HydrophobicContact CD1-CD1 4.39Å; F117-L123 HydrophobicContact CE1-CD1 3.75Å; F117-L123 HydrophobicContact CE2-CD1 3.94Å; F117-L123 HydrophobicContact CZ-CD1 3.49Å; F117-L123 VanDerWaalsContact CZ-CD1 3.49Å; L123-V125 HydrophobicContact CD2-CG2 4.33Å; L123-V125 HydrophobicContact CG-CG2 4.34Å; L123-F173 HydrophobicContact CB-CB 4.25Å; L123-F173 HydrophobicContact CD2-CD2 4.43Å; L123-F173 PolarHBondContact N-O 2.79Å; L123-F173 PolarHBondContact O-N 3.34Å; L123-L175 HydrophobicContact CB-CD1 4.19Å; L123-L175 HydrophobicContact CB-CD2 4.17Å; L123-L175 HydrophobicContact CB-CG 4.12Å; L123-L175 HydrophobicContact CD2-CD2 4.3Å; L123-V183 HydrophobicContact CD2-CG2 3.87Å; L123-V299 HydrophobicContact CD1-CG1 4.01Å; L123-V299 HydrophobicContact CD1-CG2 4.47Å; L123-V299 HydrophobicContact CD2-CG1 4.41Å; L123-V299 HydrophobicContact CD2-CG2 4.08Å
124E97.3Very high94.2Very high59 Ų5954 Ų5428%0.27629%0.287SS..EExtended strand (participates in β ladder)trans-109.6134.4177.2-57.7-170153.100110.6L111 K170 F172L111-E124 HydrophobicContact CB-CB 4.32Å; L111-E124 HydrophobicContact CD1-CB 3.87Å; L111-E124 HydrophobicContact CG-CB 4.31Å; L111-E124 PolarHBondContact N-O 3.19Å; E124-K170 WeakPolarHBondContact OE1-CE 3.29Å; E124-K170 IonicContact OE1-NZ 3.7Å; E124-K170 PolarHBondContact OE1-NZ 3.17Å; E124-K170 WeakPolarHBondContact OE2-CE 3.46Å; E124-K170 IonicContact OE2-NZ 3.78Å; E124-K170 PolarHBondContact OE2-NZ 2.81Å; E124-F172 HydrophobicContact CG-CD1 4.11Å; E124-F172 HydrophobicContact CG-CE1 4.16Å
125V98.4Very high95Very high0 Ų054.6 Ų54.60%027%0.271CS..EExtended strand (participates in β ladder)trans-129.7128.1178.8-175.70000108.8F108 V109 I110 L123 K170 V171 F173 V183 I185F108-V125 HydrophobicContact CB-CG1 3.98Å; F108-V125 HydrophobicContact CD2-CG1 3.49Å; F108-V125 VanDerWaalsContact CD2-CG1 3.49Å; F108-V125 HydrophobicContact CE2-CG1 4.33Å; F108-V125 HydrophobicContact CG-CG1 4.07Å; V109-V125 WeakPolarHBondContact O-CA 3.49Å; V109-V125 WeakPolarHBondContact O-CG1 3.42Å; I110-V125 HydrophobicContact CG1-CG2 4.18Å; L123-V125 HydrophobicContact CD2-CG2 4.33Å; L123-V125 HydrophobicContact CG-CG2 4.34Å; V125-K170 CarbonylContact O-C 3.53Å; V125-K170 WeakPolarHBondContact O-CA 3.4Å; V125-V171 HydrophobicContact CB-CB 4.27Å; V125-V171 PolarHBondContact N-O 3.35Å; V125-V171 PolarHBondContact O-N 3.47Å; V125-F173 HydrophobicContact CG2-CD2 4.07Å; V125-F173 HydrophobicContact CG2-CE2 3.89Å; V125-V183 HydrophobicContact CG1-CG1 4.46Å; V125-V183 HydrophobicContact CG2-CG1 4.24Å; V125-V183 HydrophobicContact CG2-CG2 4.23Å; V125-I185 HydrophobicContact CG1-CD1 3.8Å
126L98.4Very high95.6Very high57 Ų5755.8 Ų55.830%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-97.1127.7175.4-173.368.1000109.1F108 V109 L111 F168F108-L126 CarbonylContact C-O 3.53Å; F108-L126 WeakPolarHBondContact CA-O 3.39Å; F108-L126 WeakPolarHBondContact CB-O 3.46Å; V109-L126 PolarHBondContact N-O 3.14Å; V109-L126 PolarHBondContact O-N 3.47Å; L111-L126 HydrophobicContact CD2-CB 4.37Å; L126-F168 HydrophobicContact CD1-CB 4.42Å; L126-F168 HydrophobicContact CD1-CD1 4.09Å; L126-F168 HydrophobicContact CD2-CD1 4.2Å; L126-F168 HydrophobicContact CD2-CE1 4.43Å; L126-F168 HydrophobicContact CG-CD1 4.21Å
127V98.7Very high95.8Very high0 Ų049.3 Ų49.30%025%0.247CC..EExtended strand (participates in β ladder)trans-109130.4174.2-167.40000108.1F108 V129 L144 F168 Y169 V171 I185 I291F108-V127 HydrophobicContact CB-CB 4.45Å; F108-V127 HydrophobicContact CB-CG1 4.45Å; F108-V127 HydrophobicContact CB-CG2 4.08Å; V127-V129 HydrophobicContact CG1-CG1 4.3Å; V127-L144 HydrophobicContact CG1-CD1 4.28Å; V127-F168 WeakPolarHBondContact O-CA 3.19Å; V127-Y169 PolarHBondContact N-O 3.4Å; V127-Y169 PolarHBondContact O-N 3.01Å; V127-V171 HydrophobicContact CG2-CG2 3.92Å; V127-I185 HydrophobicContact CG2-CD1 3.42Å; V127-I185 VanDerWaalsContact CG2-CD1 3.42Å; V127-I185 HydrophobicContact CG2-CG2 4.24Å; V127-I291 HydrophobicContact CG1-CD1 3.97Å; V127-I291 HydrophobicContact CG1-CG2 4.33Å
128H98.2Very high95.8Very high19 Ų1957 Ų579%0.08828%0.28CS..EExtended strand (participates in β ladder)trans-115.8116.3174.8-177.4-169.6000108.2Y107 P136 F168Y107-H128 HydrophobicContact CE1-CB 4.35Å; Y107-H128 AromaticContact CE1-ND1 3.79Å; Y107-H128 HydrophobicContact CE2-CB 4.11Å; Y107-H128 AromaticContact CZ-ND1 3.47Å; Y107-H128 PolarHBondContact N-O 3.27Å; Y107-H128 VanDerWaalsContact N-O 3.09Å; Y107-H128 PolarHBondContact O-N 2.8Å; Y107-H128 PolarHBondContact OH-ND1 2.95Å; H128-P136 WeakPolarHBondContact NE2-CB 3.43Å; H128-F168 HydrophobicContact CB-CD1 4.21Å; H128-F168 HydrophobicContact CB-CE1 3.97Å; H128-F168 AromaticContact CD2-CE1 3.88Å; H128-F168 AromaticContact CD2-CZ 3.87Å; H128-F168 AromaticContact CG-CE1 3.74Å; H128-F168 AromaticContact NE2-CZ 3.92Å
129V97.9Very high95.7Very high0 Ų055 Ų550%027%0.27CS..EExtended strand (participates in β ladder)trans-95.8137.5-179.8-61.50000111.7T101 S106 V127 K137 G167 Y169T101-V129 HydrophobicContact CG2-CB 3.87Å; T101-V129 HydrophobicContact CG2-CG1 4.12Å; S106-V129 WeakPolarHBondContact OG-CA 3.16Å; V127-V129 HydrophobicContact CG1-CG1 4.3Å; V129-K137 HydrophobicContact CG2-CB 4.14Å; V129-K137 HydrophobicContact CG2-CD 4.14Å; V129-K137 HydrophobicContact CG2-CG 4.44Å; V129-K137 PolarHBondContact O-N 3.37Å; V129-G167 VanDerWaalsContact CG2-O 3.27Å; V129-G167 WeakPolarHBondContact CG2-O 3.48Å; V129-G167 PolarHBondContact N-O 2.91Å; V129-Y169 HydrophobicContact CB-CE2 4.41Å; V129-Y169 HydrophobicContact CG1-CD2 4Å; V129-Y169 HydrophobicContact CG1-CE2 3.75Å; V129-Y169 HydrophobicContact CG2-CD2 4.42Å; V129-Y169 HydrophobicContact CG2-CE2 3.72Å
130Q98.1Very high95.7Very high29 Ų2953.3 Ų53.314%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-123.6158.4179.7-60.6-171.3-9.900110.3D102 S105 S106 K135D102-Q130 PolarHBondContact N-O 3.27Å; S105-Q130 PolarHBondContact O-OE1 2.91Å; S105-Q130 VanDerWaalsContact O-OE1 3.09Å; S106-Q130 PolarHBondContact OG-N 3.42Å; Q130-K135 CarbonylContact C-O 3.54Å; Q130-K135 VanDerWaalsContact CA-O 3.31Å; Q130-K135 WeakPolarHBondContact CA-O 3.4Å
131D97.2Very high95.9Very high13 Ų1351.3 Ų51.37%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-84.4175.7171.770.912.3000113K99 S100 Q133 R134 K135K99-D131 WeakPolarHBondContact O-CB 3.42Å; S100-D131 WeakPolarHBondContact O-CA 3.28Å; S100-D131 WeakPolarHBondContact O-CB 3.36Å; D131-Q133 PolarHBondContact O-N 2.87Å; D131-Q133 VanDerWaalsContact O-N 3.11Å; D131-Q133 VanDerWaalsContact OD1-C 3.25Å; D131-Q133 VanDerWaalsContact OD1-CA 3.23Å; D131-Q133 WeakPolarHBondContact OD1-CA 3.37Å; D131-Q133 VanDerWaalsContact OD1-CB 3.31Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.21Å; D131-Q133 PolarHBondContact OD1-N 2.89Å; D131-R134 WeakPolarHBondContact O-CA 3.45Å; D131-R134 PolarHBondContact O-N 2.8Å; D131-R134 PolarHBondContact OD1-N 3.28Å; D131-R134 VanDerWaalsContact OD1-N 3.11Å; D131-K135 PolarHBondContact N-O 3.26Å; D131-K135 WeakPolarHBondContact OD1-CB 3.39Å; D131-K135 PolarHBondContact OD1-N 3.18Å
132F97.3Very high96.1Very high55 Ų5549.7 Ų49.724%0.24123%0.227CC..THydrogen-bonded Turntrans-66.1-7.1176-72.6-88.7000113.7F97 V98 S100 D102 V285F97-F132 HydrophobicContact CD2-CE2 4.29Å; F97-F132 HydrophobicContact CE1-CD2 4.45Å; F97-F132 HydrophobicContact CE1-CE2 4.38Å; F97-F132 HydrophobicContact CE1-CZ 4.45Å; F97-F132 HydrophobicContact CE2-CD2 4.16Å; F97-F132 AromaticContact CE2-CE2 3.48Å; F97-F132 HydrophobicContact CE2-CE2 3.48Å; F97-F132 VanDerWaalsContact CE2-CE2 3.48Å; F97-F132 AromaticContact CE2-CZ 3.75Å; F97-F132 HydrophobicContact CE2-CZ 3.75Å; F97-F132 HydrophobicContact CZ-CD1 4.39Å; F97-F132 HydrophobicContact CZ-CD2 4.04Å; F97-F132 AromaticContact CZ-CE1 3.92Å; F97-F132 HydrophobicContact CZ-CE1 3.92Å; F97-F132 AromaticContact CZ-CE2 3.55Å; F97-F132 HydrophobicContact CZ-CE2 3.55Å; F97-F132 HydrophobicContact CZ-CG 4.45Å; F97-F132 AromaticContact CZ-CZ 3.48Å; F97-F132 HydrophobicContact CZ-CZ 3.48Å; F97-F132 VanDerWaalsContact CZ-CZ 3.48Å; F97-F132 WeakPolarHBondContact O-CD2 3.46Å; V98-F132 HydrophobicContact CG1-CB 4.42Å; V98-F132 WeakPolarHBondContact O-CB 3Å; V98-F132 PolarHBondContact O-N 3.44Å; S100-F132 WeakPolarHBondContact O-CD2 3.36Å; S100-F132 PolarHBondContact O-N 3.15Å; D102-F132 HydrophobicContact CB-CB 4.34Å; D102-F132 HydrophobicContact CB-CD1 3.77Å; D102-F132 HydrophobicContact CB-CD2 3.83Å; D102-F132 HydrophobicContact CB-CE1 3.91Å; D102-F132 HydrophobicContact CB-CE2 3.95Å; D102-F132 HydrophobicContact CB-CG 3.72Å; D102-F132 HydrophobicContact CB-CZ 3.98Å; F132-V285 HydrophobicContact CE1-CG1 4Å; F132-V285 HydrophobicContact CZ-CG1 3.91Å
133Q97.2Very high96.2Very high88 Ų8845.2 Ų45.241%0.41121%0.205SC..THydrogen-bonded Turntrans-94.97.5169.5-51.7-167.9-30.900112.5V98 D131 K135V98-Q133 HydrophobicContact CG1-CG 3.57Å; D131-Q133 PolarHBondContact O-N 2.87Å; D131-Q133 VanDerWaalsContact O-N 3.11Å; D131-Q133 VanDerWaalsContact OD1-C 3.25Å; D131-Q133 VanDerWaalsContact OD1-CA 3.23Å; D131-Q133 WeakPolarHBondContact OD1-CA 3.37Å; D131-Q133 VanDerWaalsContact OD1-CB 3.31Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.21Å; D131-Q133 PolarHBondContact OD1-N 2.89Å; Q133-K135 HydrophobicContact CB-CD 4.32Å; Q133-K135 HydrophobicContact CB-CG 4.26Å; Q133-K135 PolarHBondContact O-N 3.19Å
134R96.8Very high96.3Very high190 Ų19045.6 Ų45.672%0.71721%0.207SC*.SBendtrans6125.2-174.6-53.6-177.9177.6172.10.4113.6D131D131-R134 WeakPolarHBondContact O-CA 3.45Å; D131-R134 PolarHBondContact O-N 2.8Å; D131-R134 PolarHBondContact OD1-N 3.28Å; D131-R134 VanDerWaalsContact OD1-N 3.11Å
135K97.4Very high96.4Very high114 Ų11443.3 Ų43.350%0.49620%0.197SC..PPolyproline II helixtrans-93.1136174.7-64.6177.3-177.4163.40109.2Q130 D131 Q133 K137Q130-K135 CarbonylContact C-O 3.54Å; Q130-K135 VanDerWaalsContact CA-O 3.31Å; Q130-K135 WeakPolarHBondContact CA-O 3.4Å; D131-K135 PolarHBondContact N-O 3.26Å; D131-K135 WeakPolarHBondContact OD1-CB 3.39Å; D131-K135 PolarHBondContact OD1-N 3.18Å; Q133-K135 HydrophobicContact CB-CD 4.32Å; Q133-K135 HydrophobicContact CB-CG 4.26Å; Q133-K135 PolarHBondContact O-N 3.19Å; K135-K137 PolarHBondContact O-N 3.48Å
136P97Very high96.3Very high70 Ų7043.8 Ų43.846%0.45520%0.201SC..BIsolated β-bridgetrans-52.4130.2169.2-30.138.2000111.4H128H128-P136 WeakPolarHBondContact NE2-CB 3.43Å
137K94.6Very high96.3Very high10 Ų1042.9 Ų42.94%0.04319%0.193CC..PPolyproline II helixtrans-68.9152.2169.6-72-17260-178.80110T101 V129 K135 Y139 D142 N166 G167 S191 E192T101-K137 WeakPolarHBondContact OG1-CD 3.42Å; T101-K137 PolarHBondContact OG1-NZ 3.46Å; V129-K137 HydrophobicContact CG2-CB 4.14Å; V129-K137 HydrophobicContact CG2-CD 4.14Å; V129-K137 HydrophobicContact CG2-CG 4.44Å; V129-K137 PolarHBondContact O-N 3.37Å; K135-K137 PolarHBondContact O-N 3.48Å; K137-Y139 VanDerWaalsContact CE-CZ 3.41Å; K137-Y139 VanDerWaalsContact NZ-CE2 3.29Å; K137-D142 IonicContact NZ-OD1 2.85Å; K137-D142 PolarHBondContact NZ-OD1 2.82Å; K137-D142 IonicContact NZ-OD2 2.68Å; K137-D142 PolarHBondContact NZ-OD2 2.93Å; K137-N166 VanDerWaalsContact O-O 3.09Å; K137-G167 WeakPolarHBondContact O-CA 3.33Å; K137-S191 PolarHBondContact NZ-OG 3.17Å; K137-E192 IonicContact NZ-OE1 3.6Å; K137-E192 PolarHBondContact NZ-OE1 2.93Å; K137-E192 IonicContact NZ-OE2 3.53Å
138K92.3Very high96.3Very high186 Ų18642.9 Ų42.981%0.80919%0.193SC*.SBendtrans-109.68.4-179.5-61.6-173.6178.3-175.40113.4
139Y92.1Very high96.3Very high40 Ų4042.8 Ų42.816%0.15719%0.193CC..  trans-148.3160.3-177.556-92000109.7P90 V92 K137 Q165 G167 S191 E192P90-Y139 HydrophobicContact CB-CD2 4.14Å; P90-Y139 HydrophobicContact CB-CG 4.36Å; P90-Y139 HydrophobicContact CG-CD2 3.76Å; P90-Y139 HydrophobicContact CG-CG 4.29Å; V92-Y139 HydrophobicContact CG2-CD1 4.35Å; V92-Y139 HydrophobicContact CG2-CG 4.32Å; K137-Y139 VanDerWaalsContact CE-CZ 3.41Å; K137-Y139 VanDerWaalsContact NZ-CE2 3.29Å; Y139-Q165 WeakPolarHBondContact CA-O 3.22Å; Y139-G167 PolarHBondContact O-N 3.18Å; Y139-S191 WeakPolarHBondContact CE2-OG 3.33Å; Y139-E192 WeakPolarHBondContact CE2-OE1 3.41Å; Y139-E192 VanDerWaalsContact CZ-OE1 3.25Å; Y139-E192 PolarHBondContact OH-OE1 3.08Å
140G92.1Very high96.3Very high0 Ų043.1 Ų43.10%020%0.195CC..  trans-100.1-144.7179.200000113.3P90 D163 Y169 S191P90-G140 VanDerWaalsContact CG-O 3.26Å; P90-G140 WeakPolarHBondContact CG-O 3.38Å; G140-D163 WeakPolarHBondContact CA-OD1 3.39Å; G140-Y169 WeakPolarHBondContact CA-OH 3.46Å; G140-S191 VanDerWaalsContact O-CB 3.29Å; G140-S191 WeakPolarHBondContact O-CB 3.36Å
141G92.4Very high96.2Very high5 Ų545.8 Ų45.85%0.05222%0.215CC..  trans92.5-2.7176.200000114.4D163 Y169 I194G141-D163 PolarHBondContact N-OD2 3.01Å; G141-Y169 PolarHBondContact N-OH 2.85Å; G141-I194 WeakPolarHBondContact O-CD1 3.33Å
142D95.6Very high96.2Very high5 Ų555.1 Ų55.13%0.02726%0.255CS..  trans-65.9144.6174.2-55.1-72.8000109.9T101 K137 L144 Y169 L187 P190 S191T101-D142 WeakPolarHBondContact CB-OD1 3.37Å; T101-D142 VanDerWaalsContact OG1-CG 3.27Å; T101-D142 PolarHBondContact OG1-OD1 3.46Å; T101-D142 PolarHBondContact OG1-OD2 3.15Å; K137-D142 IonicContact NZ-OD1 2.85Å; K137-D142 PolarHBondContact NZ-OD1 2.82Å; K137-D142 IonicContact NZ-OD2 2.68Å; K137-D142 PolarHBondContact NZ-OD2 2.93Å; D142-L144 HydrophobicContact CB-CD2 4.23Å; D142-Y169 HydrophobicContact CB-CE1 4.47Å; D142-Y169 HydrophobicContact CB-CE2 4.44Å; D142-Y169 WeakPolarHBondContact CB-OH 3.32Å; D142-Y169 VanDerWaalsContact CG-OH 3.23Å; D142-Y169 PolarHBondContact N-OH 3.33Å; D142-Y169 PolarHBondContact OD2-OH 3.48Å; D142-L187 HydrophobicContact CB-CD1 3.86Å; D142-P190 WeakPolarHBondContact OD1-CA 3.31Å; D142-S191 PolarHBondContact OD1-N 3.13Å
143Y96.4Very high96.2Very high9 Ų954.9 Ų54.94%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-96.6105174.1-177.9-136.2000109.9R87 Q145 V188 H189 D499 W500 F503 W524R87-Y143 VanDerWaalsContact NH1-CD2 3.33Å; Y143-Q145 PolarHBondContact OH-NE2 3.39Å; Y143-V188 HydrophobicContact CD1-CB 3.52Å; Y143-V188 HydrophobicContact CD1-CG1 3.67Å; Y143-V188 HydrophobicContact CD1-CG2 3.91Å; Y143-V188 HydrophobicContact CE1-CB 4.02Å; Y143-V188 HydrophobicContact CE1-CG1 3.91Å; Y143-V188 HydrophobicContact CE1-CG2 4Å; Y143-V188 HydrophobicContact CG-CB 4.24Å; Y143-V188 WeakPolarHBondContact O-CA 3.34Å; Y143-V188 VanDerWaalsContact O-CB 3.27Å; Y143-V188 WeakPolarHBondContact O-CB 3.27Å; Y143-V188 PolarHBondContact O-N 3.2Å; Y143-H189 PolarHBondContact N-O 3.44Å; Y143-H189 PolarHBondContact O-N 2.93Å; Y143-D499 VanDerWaalsContact CE1-C 3.48Å; Y143-D499 HydrophobicContact CE1-CB 3.91Å; Y143-D499 WeakPolarHBondContact CE1-O 3.5Å; Y143-D499 PolarHBondContact OH-O 2.76Å; Y143-W500 HydrophobicContact CD1-CB 3.71Å; Y143-W500 HydrophobicContact CD1-CG 4.33Å; Y143-W500 HydrophobicContact CE1-CB 4.1Å; Y143-W500 HydrophobicContact CG-CB 4.38Å; Y143-W500 AromaticContact CG-CD1 3.87Å; Y143-F503 HydrophobicContact CE2-CB 4.36Å; Y143-F503 HydrophobicContact CE2-CD2 4.36Å; Y143-F503 HydrophobicContact CE2-CG 4.21Å; Y143-F503 WeakPolarHBondContact OH-CB 3.31Å; Y143-W524 VanDerWaalsContact OH-CZ2 3.26Å; Y143-W524 WeakPolarHBondContact OH-CZ2 3.1Å
144L97.7Very high96.2Very high9 Ų954 Ų545%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-101.7142.5177-49.8-177000110.9V127 D142 V161 Y169 F186 L187 I291V127-L144 HydrophobicContact CG1-CD1 4.28Å; D142-L144 HydrophobicContact CB-CD2 4.23Å; L144-V161 HydrophobicContact CB-CG1 4.17Å; L144-V161 HydrophobicContact CB-CG2 4.35Å; L144-V161 HydrophobicContact CD1-CG1 4.39Å; L144-Y169 HydrophobicContact CD1-CD1 3.84Å; L144-Y169 HydrophobicContact CD1-CD2 3.75Å; L144-Y169 HydrophobicContact CD1-CE1 4.29Å; L144-Y169 HydrophobicContact CD1-CE2 4.22Å; L144-Y169 HydrophobicContact CD1-CG 3.57Å; L144-Y169 HydrophobicContact CG-CD1 4.45Å; L144-F186 VanDerWaalsContact CA-O 3.28Å; L144-F186 WeakPolarHBondContact CA-O 3.15Å; L144-L187 HydrophobicContact CD2-CB 4.17Å; L144-L187 HydrophobicContact CD2-CD1 3.58Å; L144-I291 HydrophobicContact CD2-CD1 4.1Å
145Q97.7Very high96.3Very high11 Ų1145.2 Ų45.25%0.05122%0.22CC..EExtended strand (participates in β ladder)trans-114.8140.6165.5-77.5172.34.500108.7Y143 F186 V188 D499 L528Y143-Q145 PolarHBondContact OH-NE2 3.39Å; Q145-F186 PolarHBondContact N-O 3.43Å; Q145-F186 PolarHBondContact O-N 3.27Å; Q145-V188 HydrophobicContact CB-CG2 3.96Å; Q145-V188 VanDerWaalsContact CD-CG2 3.47Å; Q145-V188 HydrophobicContact CG-CG2 3.55Å; Q145-D499 PolarHBondContact NE2-OD2 2.74Å; Q145-L528 HydrophobicContact CG-CD2 4.19Å
146A98Very high96.3Very high10 Ų1039.9 Ų39.98%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-139.1141.9-176.500000111.1G159 V161 V171 F173 S184 I185A146-G159 PolarHBondContact O-N 3.2Å; A146-V161 HydrophobicContact CB-CG2 4.12Å; A146-V171 HydrophobicContact CB-CG1 3.56Å; A146-V171 HydrophobicContact CB-CG2 4.26Å; A146-F173 HydrophobicContact CB-CE1 4.26Å; A146-F173 HydrophobicContact CB-CZ 3.81Å; A146-S184 WeakPolarHBondContact CA-O 3.46Å; A146-I185 HydrophobicContact CB-CG1 4.21Å
147R97.9Very high96.4Very high37 Ų3736.6 Ų36.614%0.1418%0.176CC..EExtended strand (participates in β ladder)trans-145152.6177.969.9179.5-167.1156.3-9.2112A157 S184 H530R147-A157 CarbonylContact C-O 3.6Å; R147-A157 VanDerWaalsContact CA-O 3.26Å; R147-A157 WeakPolarHBondContact CA-O 3.45Å; R147-A157 WeakPolarHBondContact CB-O 3.47Å; R147-S184 PolarHBondContact N-O 3.14Å; R147-S184 PolarHBondContact O-N 3.09Å; R147-H530 VanDerWaalsContact NH1-C 3.3Å; R147-H530 PolarHBondContact NH1-O 3.01Å
148I98.5Very high96.5Very high1 Ų136.4 Ų36.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-106145.5161.649.1164.6000109.6G156 A157 F173 T174 L175 W177 V181 K182 V183I148-G156 CarbonylContact O-C 3.56Å; I148-G156 VanDerWaalsContact O-CA 3.25Å; I148-G156 WeakPolarHBondContact O-CA 3.49Å; I148-A157 HydrophobicContact CD1-CB 4.21Å; I148-A157 HydrophobicContact CG1-CB 3.94Å; I148-A157 PolarHBondContact N-O 3.03Å; I148-A157 PolarHBondContact O-N 2.94Å; I148-F173 HydrophobicContact CB-CD1 4.17Å; I148-F173 HydrophobicContact CB-CE1 4.42Å; I148-F173 HydrophobicContact CD1-CB 4.16Å; I148-F173 HydrophobicContact CD1-CD1 4.45Å; I148-F173 HydrophobicContact CG1-CB 4.42Å; I148-F173 HydrophobicContact CG1-CD1 3.82Å; I148-F173 HydrophobicContact CG1-CE1 4.39Å; I148-F173 HydrophobicContact CG1-CG 4.33Å; I148-F173 HydrophobicContact CG2-CB 4.1Å; I148-F173 HydrophobicContact CG2-CD1 3.61Å; I148-F173 HydrophobicContact CG2-CD2 3.87Å; I148-F173 HydrophobicContact CG2-CE1 3.86Å; I148-F173 HydrophobicContact CG2-CE2 4.1Å; I148-F173 HydrophobicContact CG2-CG 3.59Å; I148-F173 HydrophobicContact CG2-CZ 4.07Å; I148-T174 WeakPolarHBondContact CD1-O 3.44Å; I148-L175 HydrophobicContact CD1-CD2 4.17Å; I148-W177 HydrophobicContact CB-CH2 4.49Å; I148-W177 HydrophobicContact CD1-CH2 3.84Å; I148-W177 HydrophobicContact CD1-CZ2 4.46Å; I148-W177 HydrophobicContact CD1-CZ3 4.24Å; I148-W177 HydrophobicContact CG1-CH2 3.91Å; I148-V181 HydrophobicContact CB-CG1 3.65Å; I148-V181 HydrophobicContact CD1-CG1 4.1Å; I148-V181 HydrophobicContact CG1-CG1 4.42Å; I148-V181 HydrophobicContact CG2-CG1 3.97Å; I148-K182 CarbonylContact C-O 3.17Å; I148-K182 VanDerWaalsContact CA-O 3.23Å; I148-K182 WeakPolarHBondContact CA-O 3.46Å; I148-V183 HydrophobicContact CG2-CG2 3.88Å
149H98.5Very high96.7Very high17 Ų1728.1 Ų28.18%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-157.5158-178.365.2-59.7000113A155 K182 S184H149-A155 CarbonylContact C-O 3.59Å; H149-A155 WeakPolarHBondContact CA-O 3.39Å; H149-A155 WeakPolarHBondContact CB-O 3.45Å; H149-K182 PolarHBondContact N-O 2.93Å; H149-K182 PolarHBondContact ND1-O 3.37Å; H149-K182 WeakPolarHBondContact O-CB 3.35Å; H149-K182 PolarHBondContact O-N 3.4Å; H149-S184 PolarHBondContact CE1-OG 3.08Å
150S98.4Very high96.9Very high7 Ų731.6 Ų31.65%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-133.796.5172.1-63.40000108.2K152 L153 Q154 A155 W177 K180S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 3.45Å; S150-L153 CarbonylContact O-C 3.52Å; S150-L153 PolarHBondContact O-N 3.34Å; S150-Q154 PolarHBondContact O-N 2.85Å; S150-Q154 VanDerWaalsContact O-N 3.11Å; S150-A155 PolarHBondContact N-O 2.76Å; S150-A155 PolarHBondContact O-N 3.09Å; S150-W177 PolarHBondContact OG-NE1 3.42Å; S150-K180 PolarHBondContact OG-O 3.38Å
151P95.6Very high97.1Very high84 Ų8433.8 Ų33.855%0.54517%0.169SC..G310 helixtrans-53.3-43.1-172.6-29.334.2000114.1L153 Q154P151-L153 PolarHBondContact O-N 3.02Å; P151-Q154 PolarHBondContact O-N 3.28Å
152K96.3Very high97.2Very high210 Ų21035.5 Ų35.591%0.91318%0.178SC*.G310 helixtrans-63.2-25.3178.8-65.2-171.6178.5-1740114S150S150-K152 VanDerWaalsContact C-N 3.3Å; S150-K152 PolarHBondContact O-N 3.45Å
153L97.2Very high97.2Very high49 Ų4937 Ų3726%0.25719%0.186SC..G310 helixtrans-97.3-2.7177.6-64177.1000112S150 P151 A155 Y327 K328S150-L153 CarbonylContact O-C 3.52Å; S150-L153 PolarHBondContact O-N 3.34Å; P151-L153 PolarHBondContact O-N 3.02Å; L153-A155 HydrophobicContact CB-CB 3.92Å; L153-A155 PolarHBondContact O-N 3.32Å; L153-A155 VanDerWaalsContact O-N 3.13Å; L153-Y327 HydrophobicContact CB-CE2 4.47Å; L153-Y327 HydrophobicContact CD1-CE2 4.18Å; L153-K328 WeakPolarHBondContact O-CA 3.36Å; L153-K328 PolarHBondContact O-N 3.21Å
154Q97.8Very high97.1Very high70 Ų7041.7 Ų41.733%0.32720%0.204SC..THydrogen-bonded Turntrans4644-170.5-60.6170.7-5800110.9S150 P151 K328 D329 Y531S150-Q154 PolarHBondContact O-N 2.85Å; S150-Q154 VanDerWaalsContact O-N 3.11Å; P151-Q154 PolarHBondContact O-N 3.28Å; Q154-K328 PolarHBondContact O-N 3.35Å; Q154-D329 WeakPolarHBondContact CB-OD1 3.27Å; Q154-D329 VanDerWaalsContact CD-OD2 3.29Å; Q154-D329 PolarHBondContact NE2-OD2 2.72Å; Q154-D329 PolarHBondContact O-N 2.7Å; Q154-Y531 HydrophobicContact CB-CE1 3.97Å; Q154-Y531 HydrophobicContact CG-CE1 3.9Å; Q154-Y531 PolarHBondContact NE2-OH 3.24Å
155A98.3Very high96.8Very high6 Ų643.8 Ų43.85%0.0521%0.214CC..EExtended strand (participates in β ladder)trans-111.5142.6-175.700000110H149 S150 L153 W177 Y326 Y327H149-A155 CarbonylContact C-O 3.59Å; H149-A155 WeakPolarHBondContact CA-O 3.39Å; H149-A155 WeakPolarHBondContact CB-O 3.45Å; S150-A155 PolarHBondContact N-O 2.76Å; S150-A155 PolarHBondContact O-N 3.09Å; L153-A155 HydrophobicContact CB-CB 3.92Å; L153-A155 PolarHBondContact O-N 3.32Å; L153-A155 VanDerWaalsContact O-N 3.13Å; A155-W177 HydrophobicContact CB-CD2 3.82Å; A155-W177 HydrophobicContact CB-CE3 4.27Å; A155-W177 HydrophobicContact CB-CG 4.22Å; A155-W177 HydrophobicContact CB-CH2 4.4Å; A155-W177 HydrophobicContact CB-CZ2 3.93Å; A155-Y326 WeakPolarHBondContact CA-O 3.34Å; A155-Y326 WeakPolarHBondContact CB-O 3.49Å; A155-Y327 HydrophobicContact CB-CD2 4.01Å
156G98.4Very high96.6Very high1 Ų146.8 Ų46.81%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-164.6143.4-175.100000113.2I148 Y325 Y326 A529I148-G156 CarbonylContact O-C 3.56Å; I148-G156 VanDerWaalsContact O-CA 3.25Å; I148-G156 WeakPolarHBondContact O-CA 3.49Å; G156-Y325 CarbonylContact O-C 3.52Å; G156-Y325 WeakPolarHBondContact O-CA 3.33Å; G156-Y325 WeakPolarHBondContact O-CB 3.41Å; G156-Y326 PolarHBondContact N-O 3.4Å; G156-Y326 VanDerWaalsContact N-O 3.12Å; G156-Y326 PolarHBondContact O-N 3.15Å; G156-A529 WeakPolarHBondContact CA-O 3.38Å
157A98.2Very high96.4Very high1 Ų146.3 Ų46.31%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-148.7150.517500000110.9R147 I148 L176 W177 P322R147-A157 CarbonylContact C-O 3.6Å; R147-A157 VanDerWaalsContact CA-O 3.26Å; R147-A157 WeakPolarHBondContact CA-O 3.45Å; R147-A157 WeakPolarHBondContact CB-O 3.47Å; I148-A157 HydrophobicContact CD1-CB 4.21Å; I148-A157 HydrophobicContact CG1-CB 3.94Å; I148-A157 PolarHBondContact N-O 3.03Å; I148-A157 PolarHBondContact O-N 2.94Å; A157-L176 HydrophobicContact CB-CD1 3.98Å; A157-W177 HydrophobicContact CB-CH2 4.14Å; A157-W177 HydrophobicContact CB-CZ3 3.9Å; A157-P322 HydrophobicContact CB-CG 4.34Å
158V97.8Very high96.4Very high7 Ų747.7 Ų47.74%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-82.2152.5179.5-60.30000112.3F321 P322 E525 L528 A529V158-F321 HydrophobicContact CB-CZ 4.37Å; V158-F321 HydrophobicContact CG2-CE1 4.21Å; V158-F321 HydrophobicContact CG2-CE2 4.09Å; V158-F321 HydrophobicContact CG2-CZ 3.56Å; V158-F321 WeakPolarHBondContact O-CE1 3.43Å; V158-P322 HydrophobicContact CG2-CB 3.6Å; V158-E525 HydrophobicContact CG1-CB 4.31Å; V158-E525 HydrophobicContact CG1-CG 4.49Å; V158-E525 HydrophobicContact CG2-CB 4.17Å; V158-E525 HydrophobicContact CG2-CG 3.75Å; V158-L528 HydrophobicContact CG1-CB 3.39Å; V158-L528 HydrophobicContact CG1-CD1 4.22Å; V158-L528 HydrophobicContact CG1-CG 4.46Å; V158-A529 HydrophobicContact CG1-CB 4.21Å
159G96.4Very high96.3Very high11 Ų1147.7 Ų47.711%0.11323%0.234CC..  trans-105.2149174.500000112.4A146 F172 F321A146-G159 PolarHBondContact O-N 3.2Å; G159-F172 WeakPolarHBondContact CA-O 3.4Å; G159-F321 VanDerWaalsContact C-CE1 3.46Å
160R95.9Very high96.3Very high114 Ų11448.5 Ų48.543%0.4324%0.237SC..EExtended strand (participates in β ladder)trans-90.3116.3174.6-176.3173.966107.41108.9V171 F172 F321R160-V171 WeakPolarHBondContact O-CA 3.42Å; R160-F172 PolarHBondContact N-O 2.82Å; R160-F172 PolarHBondContact O-N 3.01Å; R160-F321 HydrophobicContact CB-CD1 3.8Å; R160-F321 HydrophobicContact CB-CE1 3.57Å; R160-F321 HydrophobicContact CB-CG 4.42Å; R160-F321 HydrophobicContact CB-CZ 3.95Å
161V95.9Very high96.3Very high46 Ų4648.2 Ų48.228%0.27924%0.235SC..EExtended strand (participates in β ladder)trans-90130.5177.7-175.40000109.6L144 A146 Y169 V171L144-V161 HydrophobicContact CB-CG1 4.17Å; L144-V161 HydrophobicContact CB-CG2 4.35Å; L144-V161 HydrophobicContact CD1-CG1 4.39Å; A146-V161 HydrophobicContact CB-CG2 4.12Å; V161-Y169 HydrophobicContact CG1-CD1 4.04Å; V161-V171 HydrophobicContact CG2-CG1 4.48Å; V161-V171 HydrophobicContact CG2-CG2 4.15Å
162V95.3Very high96.4Very high41 Ų4145.4 Ų45.425%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-119.5126.2172179.90000108.1Y164 Y169 K170 F172V162-Y164 HydrophobicContact CG1-CD1 4.2Å; V162-Y164 HydrophobicContact CG1-CE1 3.96Å; V162-Y169 CarbonylContact O-C 3.54Å; V162-Y169 VanDerWaalsContact O-CA 3.24Å; V162-Y169 WeakPolarHBondContact O-CA 3.14Å; V162-K170 PolarHBondContact N-O 2.84Å; V162-K170 PolarHBondContact O-N 3.35Å; V162-F172 HydrophobicContact CB-CE2 4.32Å; V162-F172 HydrophobicContact CG2-CD2 4.07Å; V162-F172 HydrophobicContact CG2-CE2 3.73Å
163D94.6Very high96.4Very high37 Ų3735.4 Ų35.420%0.19817%0.17CC..EExtended strand (participates in β ladder)trans-96.6123.4179.5-179.1-1.1000109.8G140 G141 Q165 Y169G140-D163 WeakPolarHBondContact CA-OD1 3.39Å; G141-D163 PolarHBondContact N-OD2 3.01Å; D163-Q165 VanDerWaalsContact C-N 3.3Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.42Å; D163-Q165 PolarHBondContact OD1-N 2.87Å; D163-Q165 PolarHBondContact OD2-NE2 3.34Å; D163-Y169 HydrophobicContact CB-CD1 3.62Å; D163-Y169 HydrophobicContact CB-CE1 3.51Å; D163-Y169 WeakPolarHBondContact OD1-CE1 3.36Å
164Y94.4Very high96.3Very high106 Ų10634 Ų3442%0.41616%0.164SC..  trans-88.56.3178-64.3-31.4000113.9V162 N166 F168 K170V162-Y164 HydrophobicContact CG1-CD1 4.2Å; V162-Y164 HydrophobicContact CG1-CE1 3.96Å; Y164-N166 WeakPolarHBondContact CB-OD1 3.45Å; Y164-N166 PolarHBondContact O-N 3.27Å; Y164-N166 VanDerWaalsContact O-N 3.13Å; Y164-F168 WeakPolarHBondContact CB-O 3.22Å; Y164-F168 HydrophobicContact CD2-CB 4.02Å; Y164-F168 PolarHBondContact N-O 2.99Å; Y164-K170 HydrophobicContact CE1-CB 4.43Å; Y164-K170 HydrophobicContact CE2-CB 3.92Å; Y164-K170 WeakPolarHBondContact OH-CB 3.42Å; Y164-K170 WeakPolarHBondContact OH-CD 3.3Å
165Q92Very high96.2Very high54 Ų5430.7 Ų30.725%0.25215%0.149SC..SBendtrans58.825.2175.9-58.3-59.3-24.500114.2Y139 D163Y139-Q165 WeakPolarHBondContact CA-O 3.22Å; D163-Q165 VanDerWaalsContact C-N 3.3Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.42Å; D163-Q165 PolarHBondContact OD1-N 2.87Å; D163-Q165 PolarHBondContact OD2-NE2 3.34Å
166N92.9Very high96Very high73 Ų7331.5 Ų31.539%0.3915%0.152SC..SBendtrans-141.819-174.466.9-0.1000113.2K137 Y164 F168K137-N166 VanDerWaalsContact O-O 3.09Å; Y164-N166 WeakPolarHBondContact CB-OD1 3.45Å; Y164-N166 PolarHBondContact O-N 3.27Å; Y164-N166 VanDerWaalsContact O-N 3.13Å; N166-F168 VanDerWaalsContact C-N 3.34Å; N166-F168 WeakPolarHBondContact OD1-CB 3.4Å; N166-F168 PolarHBondContact OD1-N 2.59Å; N166-F168 VanDerWaalsContact OD1-N 3.08Å
167G93.9Very high95.9Very high0 Ų031.6 Ų31.60%015%0.152CC..SBendtrans85.12.4-174.600000114.7V129 K137 Y139V129-G167 VanDerWaalsContact CG2-O 3.27Å; V129-G167 WeakPolarHBondContact CG2-O 3.48Å; V129-G167 PolarHBondContact N-O 2.91Å; K137-G167 WeakPolarHBondContact O-CA 3.33Å; Y139-G167 PolarHBondContact O-N 3.18Å
168F97.1Very high95.8Very high67 Ų6733.9 Ų33.929%0.29417%0.167SC..EExtended strand (participates in β ladder)trans-112141.9171-66.9-91.4000111.6L126 V127 H128 Y164 N166L126-F168 HydrophobicContact CD1-CB 4.42Å; L126-F168 HydrophobicContact CD1-CD1 4.09Å; L126-F168 HydrophobicContact CD2-CD1 4.2Å; L126-F168 HydrophobicContact CD2-CE1 4.43Å; L126-F168 HydrophobicContact CG-CD1 4.21Å; V127-F168 WeakPolarHBondContact O-CA 3.19Å; H128-F168 HydrophobicContact CB-CD1 4.21Å; H128-F168 HydrophobicContact CB-CE1 3.97Å; H128-F168 AromaticContact CD2-CE1 3.88Å; H128-F168 AromaticContact CD2-CZ 3.87Å; H128-F168 AromaticContact CG-CE1 3.74Å; H128-F168 AromaticContact NE2-CZ 3.92Å; Y164-F168 WeakPolarHBondContact CB-O 3.22Å; Y164-F168 HydrophobicContact CD2-CB 4.02Å; Y164-F168 PolarHBondContact N-O 2.99Å; N166-F168 VanDerWaalsContact C-N 3.34Å; N166-F168 WeakPolarHBondContact OD1-CB 3.4Å; N166-F168 PolarHBondContact OD1-N 2.59Å; N166-F168 VanDerWaalsContact OD1-N 3.08Å
169Y98.1Very high95.7Very high1 Ų135 Ų350%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-126.6143.1170.8-55.6-104.4000109.4V127 V129 G140 G141 D142 L144 V161 V162 D163V127-Y169 PolarHBondContact N-O 3.4Å; V127-Y169 PolarHBondContact O-N 3.01Å; V129-Y169 HydrophobicContact CB-CE2 4.41Å; V129-Y169 HydrophobicContact CG1-CD2 4Å; V129-Y169 HydrophobicContact CG1-CE2 3.75Å; V129-Y169 HydrophobicContact CG2-CD2 4.42Å; V129-Y169 HydrophobicContact CG2-CE2 3.72Å; G140-Y169 WeakPolarHBondContact CA-OH 3.46Å; G141-Y169 PolarHBondContact N-OH 2.85Å; D142-Y169 HydrophobicContact CB-CE1 4.47Å; D142-Y169 HydrophobicContact CB-CE2 4.44Å; D142-Y169 WeakPolarHBondContact CB-OH 3.32Å; D142-Y169 VanDerWaalsContact CG-OH 3.23Å; D142-Y169 PolarHBondContact N-OH 3.33Å; D142-Y169 PolarHBondContact OD2-OH 3.48Å; L144-Y169 HydrophobicContact CD1-CD1 3.84Å; L144-Y169 HydrophobicContact CD1-CD2 3.75Å; L144-Y169 HydrophobicContact CD1-CE1 4.29Å; L144-Y169 HydrophobicContact CD1-CE2 4.22Å; L144-Y169 HydrophobicContact CD1-CG 3.57Å; L144-Y169 HydrophobicContact CG-CD1 4.45Å; V161-Y169 HydrophobicContact CG1-CD1 4.04Å; V162-Y169 CarbonylContact O-C 3.54Å; V162-Y169 VanDerWaalsContact O-CA 3.24Å; V162-Y169 WeakPolarHBondContact O-CA 3.14Å; D163-Y169 HydrophobicContact CB-CD1 3.62Å; D163-Y169 HydrophobicContact CB-CE1 3.51Å; D163-Y169 WeakPolarHBondContact OD1-CE1 3.36Å
170K98Very high95.7Very high34 Ų3440.3 Ų40.315%0.14820%0.199CC..EExtended strand (participates in β ladder)trans-110.3129.7170.8-168168.1-180-177.10109.5E124 V125 V162 Y164 F172E124-K170 WeakPolarHBondContact OE1-CE 3.29Å; E124-K170 IonicContact OE1-NZ 3.7Å; E124-K170 PolarHBondContact OE1-NZ 3.17Å; E124-K170 WeakPolarHBondContact OE2-CE 3.46Å; E124-K170 IonicContact OE2-NZ 3.78Å; E124-K170 PolarHBondContact OE2-NZ 2.81Å; V125-K170 CarbonylContact O-C 3.53Å; V125-K170 WeakPolarHBondContact O-CA 3.4Å; V162-K170 PolarHBondContact N-O 2.84Å; V162-K170 PolarHBondContact O-N 3.35Å; Y164-K170 HydrophobicContact CE1-CB 4.43Å; Y164-K170 HydrophobicContact CE2-CB 3.92Å; Y164-K170 WeakPolarHBondContact OH-CB 3.42Å; Y164-K170 WeakPolarHBondContact OH-CD 3.3Å; K170-F172 HydrophobicContact CB-CE2 4.25Å; K170-F172 HydrophobicContact CD-CE1 3.99Å; K170-F172 HydrophobicContact CD-CE2 4.06Å; K170-F172 HydrophobicContact CD-CZ 3.49Å; K170-F172 VanDerWaalsContact CD-CZ 3.49Å; K170-F172 HydrophobicContact CG-CE1 4.32Å; K170-F172 HydrophobicContact CG-CE2 3.9Å; K170-F172 HydrophobicContact CG-CZ 3.81Å
171V98.3Very high95.8Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-110.6129.6176-171.10000109.3V125 V127 A146 R160 V161 F173 I185V125-V171 HydrophobicContact CB-CB 4.27Å; V125-V171 PolarHBondContact N-O 3.35Å; V125-V171 PolarHBondContact O-N 3.47Å; V127-V171 HydrophobicContact CG2-CG2 3.92Å; A146-V171 HydrophobicContact CB-CG1 3.56Å; A146-V171 HydrophobicContact CB-CG2 4.26Å; R160-V171 WeakPolarHBondContact O-CA 3.42Å; V161-V171 HydrophobicContact CG2-CG1 4.48Å; V161-V171 HydrophobicContact CG2-CG2 4.15Å; V171-F173 HydrophobicContact CB-CE2 4.21Å; V171-F173 HydrophobicContact CG1-CD2 4.13Å; V171-F173 HydrophobicContact CG1-CE1 4.18Å; V171-F173 HydrophobicContact CG1-CE2 3.51Å; V171-F173 HydrophobicContact CG1-CZ 3.57Å; V171-I185 HydrophobicContact CG2-CD1 4.11Å
172F97.4Very high95.9Very high25 Ų2536.5 Ų36.511%0.1118%0.182CC..EExtended strand (participates in β ladder)trans-108.5128.4176.2-59.3-89.3000110.2Q122 E124 G159 R160 V162 K170Q122-F172 HydrophobicContact CG-CB 4.43Å; Q122-F172 HydrophobicContact CG-CD1 4.24Å; E124-F172 HydrophobicContact CG-CD1 4.11Å; E124-F172 HydrophobicContact CG-CE1 4.16Å; G159-F172 WeakPolarHBondContact CA-O 3.4Å; R160-F172 PolarHBondContact N-O 2.82Å; R160-F172 PolarHBondContact O-N 3.01Å; V162-F172 HydrophobicContact CB-CE2 4.32Å; V162-F172 HydrophobicContact CG2-CD2 4.07Å; V162-F172 HydrophobicContact CG2-CE2 3.73Å; K170-F172 HydrophobicContact CB-CE2 4.25Å; K170-F172 HydrophobicContact CD-CE1 3.99Å; K170-F172 HydrophobicContact CD-CE2 4.06Å; K170-F172 HydrophobicContact CD-CZ 3.49Å; K170-F172 VanDerWaalsContact CD-CZ 3.49Å; K170-F172 HydrophobicContact CG-CE1 4.32Å; K170-F172 HydrophobicContact CG-CE2 3.9Å; K170-F172 HydrophobicContact CG-CZ 3.81Å
173F96.9Very high96Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-119142.3171.5-61.1-80.3000110.8Q122 L123 V125 A146 I148 V171 V183Q122-F173 CarbonylContact C-O 3.39Å; Q122-F173 VanDerWaalsContact CA-O 3.29Å; Q122-F173 WeakPolarHBondContact CA-O 3.31Å; L123-F173 HydrophobicContact CB-CB 4.25Å; L123-F173 HydrophobicContact CD2-CD2 4.43Å; L123-F173 PolarHBondContact N-O 2.79Å; L123-F173 PolarHBondContact O-N 3.34Å; V125-F173 HydrophobicContact CG2-CD2 4.07Å; V125-F173 HydrophobicContact CG2-CE2 3.89Å; A146-F173 HydrophobicContact CB-CE1 4.26Å; A146-F173 HydrophobicContact CB-CZ 3.81Å; I148-F173 HydrophobicContact CB-CD1 4.17Å; I148-F173 HydrophobicContact CB-CE1 4.42Å; I148-F173 HydrophobicContact CD1-CB 4.16Å; I148-F173 HydrophobicContact CD1-CD1 4.45Å; I148-F173 HydrophobicContact CG1-CB 4.42Å; I148-F173 HydrophobicContact CG1-CD1 3.82Å; I148-F173 HydrophobicContact CG1-CE1 4.39Å; I148-F173 HydrophobicContact CG1-CG 4.33Å; I148-F173 HydrophobicContact CG2-CB 4.1Å; I148-F173 HydrophobicContact CG2-CD1 3.61Å; I148-F173 HydrophobicContact CG2-CD2 3.87Å; I148-F173 HydrophobicContact CG2-CE1 3.86Å; I148-F173 HydrophobicContact CG2-CE2 4.1Å; I148-F173 HydrophobicContact CG2-CG 3.59Å; I148-F173 HydrophobicContact CG2-CZ 4.07Å; V171-F173 HydrophobicContact CB-CE2 4.21Å; V171-F173 HydrophobicContact CG1-CD2 4.13Å; V171-F173 HydrophobicContact CG1-CE1 4.18Å; V171-F173 HydrophobicContact CG1-CE2 3.51Å; V171-F173 HydrophobicContact CG1-CZ 3.57Å; F173-V183 HydrophobicContact CE2-CG1 3.88Å; F173-V183 HydrophobicContact CE2-CG2 4.34Å; F173-V183 HydrophobicContact CZ-CG1 4.15Å
174T95.5Very high96.2Very high21 Ų2133.7 Ų33.713%0.12917%0.168CC..EExtended strand (participates in β ladder)trans-92.7124.1164.5-56.60000107.8I148 L176 F321I148-T174 WeakPolarHBondContact CD1-O 3.44Å; T174-L176 HydrophobicContact CG2-CD2 3.88Å; T174-L176 HydrophobicContact CG2-CG 4.11Å; T174-L176 WeakPolarHBondContact O-CG 3.5Å; T174-L176 PolarHBondContact O-N 2.81Å; T174-F321 PolarHBondContact OG1-O 3.2Å; T174-F321 VanDerWaalsContact OG1-O 3.08Å
175L95.4Very high96.4Very high0 Ų028.8 Ų28.80%015%0.148CC..  trans-81.6109.6-179.2-64.9170.6000110.5F117 G120 S121 L123 I148 V181 V299 V301F117-L175 HydrophobicContact CB-CD1 3.31Å; F117-L175 HydrophobicContact CD1-CD1 3.86Å; F117-L175 HydrophobicContact CD2-CD1 4.49Å; F117-L175 HydrophobicContact CG-CD1 3.64Å; G120-L175 PolarHBondContact N-O 3.37Å; S121-L175 PolarHBondContact O-N 3.27Å; L123-L175 HydrophobicContact CB-CD1 4.19Å; L123-L175 HydrophobicContact CB-CD2 4.17Å; L123-L175 HydrophobicContact CB-CG 4.12Å; L123-L175 HydrophobicContact CD2-CD2 4.3Å; I148-L175 HydrophobicContact CD1-CD2 4.17Å; L175-V181 HydrophobicContact CD2-CG1 4.19Å; L175-V299 HydrophobicContact CD2-CG2 4.33Å; L175-V301 HydrophobicContact CB-CG1 4.25Å; L175-V301 HydrophobicContact CB-CG2 4.29Å; L175-V301 HydrophobicContact CD1-CG2 3.91Å; L175-V301 HydrophobicContact CD2-CG2 3.95Å; L175-V301 HydrophobicContact CG-CG2 4.28Å
176L94.6Very high96.7Very high23 Ų2328.8 Ų28.812%0.1215%0.148CC..  trans-106.8-4.2-164.5-68.2159.1000114.6A157 T174 P322 Y325A157-L176 HydrophobicContact CB-CD1 3.98Å; T174-L176 HydrophobicContact CG2-CD2 3.88Å; T174-L176 HydrophobicContact CG2-CG 4.11Å; T174-L176 WeakPolarHBondContact O-CG 3.5Å; T174-L176 PolarHBondContact O-N 2.81Å; L176-P322 HydrophobicContact CD1-CG 3.87Å; L176-Y325 HydrophobicContact CB-CD1 3.86Å; L176-Y325 HydrophobicContact CB-CD2 3.84Å; L176-Y325 HydrophobicContact CB-CE1 4.07Å; L176-Y325 HydrophobicContact CB-CE2 4.05Å; L176-Y325 HydrophobicContact CB-CG 3.75Å; L176-Y325 HydrophobicContact CD1-CD1 3.66Å; L176-Y325 HydrophobicContact CD1-CG 3.74Å; L176-Y325 HydrophobicContact CD2-CD1 4.11Å; L176-Y325 HydrophobicContact CD2-CE1 4.19Å; L176-Y325 HydrophobicContact CG-CD1 4.07Å; L176-Y325 HydrophobicContact CG-CE1 4.47Å; L176-Y325 HydrophobicContact CG-CG 4.26Å
177W95.8Very high97Very high3 Ų325.3 Ų25.31%0.01113%0.129CC..SBendtrans-149.4154.5176.961.292.3000111.5I148 S150 A155 A157 V181 V301 Y325 Y327I148-W177 HydrophobicContact CB-CH2 4.49Å; I148-W177 HydrophobicContact CD1-CH2 3.84Å; I148-W177 HydrophobicContact CD1-CZ2 4.46Å; I148-W177 HydrophobicContact CD1-CZ3 4.24Å; I148-W177 HydrophobicContact CG1-CH2 3.91Å; S150-W177 PolarHBondContact OG-NE1 3.42Å; A155-W177 HydrophobicContact CB-CD2 3.82Å; A155-W177 HydrophobicContact CB-CE3 4.27Å; A155-W177 HydrophobicContact CB-CG 4.22Å; A155-W177 HydrophobicContact CB-CH2 4.4Å; A155-W177 HydrophobicContact CB-CZ2 3.93Å; A157-W177 HydrophobicContact CB-CH2 4.14Å; A157-W177 HydrophobicContact CB-CZ3 3.9Å; W177-V181 HydrophobicContact CZ2-CG1 4.07Å; W177-V181 HydrophobicContact CZ2-CG2 4.38Å; W177-V301 WeakPolarHBondContact O-CB 3.34Å; W177-V301 WeakPolarHBondContact O-CG1 3.18Å; W177-Y325 AromaticContact CE3-CD2 3.77Å; W177-Y325 HydrophobicContact CE3-CD2 3.77Å; W177-Y325 HydrophobicContact CE3-CE2 4.34Å; W177-Y325 HydrophobicContact CZ3-CD2 4.11Å; W177-Y327 HydrophobicContact CB-CD2 3.84Å; W177-Y327 HydrophobicContact CB-CE2 3.91Å; W177-Y327 HydrophobicContact CG-CD2 4.2Å; W177-Y327 HydrophobicContact CG-CE2 4.39Å
178P95.8Very high97.2Very high49 Ų4925.3 Ų25.332%0.31813%0.129SC..SBendtrans-79.4162.1176.733.8-35.7000112.2V119 V301 P303V119-P178 HydrophobicContact CG2-CB 4.2Å; P178-V301 CarbonylContact C-O 3.57Å; P178-V301 WeakPolarHBondContact CA-O 3.33Å; P178-P303 HydrophobicContact CB-CG 3.82Å; P178-P303 HydrophobicContact CG-CG 4.28Å
179G95.4Very high97.2Very high30 Ų3022.1 Ų22.131%0.30912%0.115SC..EExtended strand (participates in β ladder)trans109.5-162.6177.900000113.1V181 V301G179-V181 PolarHBondContact O-N 3.34Å; G179-V301 PolarHBondContact N-O 3.23Å; G179-V301 PolarHBondContact O-N 2.99Å
180K96.4Very high97.1Very high122 Ų12222 Ų2253%0.5312%0.115SC..EExtended strand (participates in β ladder)trans-80.1114.2177.3177.8164.8175.2157.50110.1S150 W298S150-K180 PolarHBondContact OG-O 3.38Å; K180-W298 HydrophobicContact CB-CE3 4.49Å; K180-W298 HydrophobicContact CD-CD2 3.87Å; K180-W298 HydrophobicContact CD-CE3 3.77Å; K180-W298 HydrophobicContact CD-CG 4.26Å; K180-W298 HydrophobicContact CD-CZ3 4.14Å; K180-W298 HydrophobicContact CG-CB 4.22Å; K180-W298 HydrophobicContact CG-CD2 3.98Å; K180-W298 HydrophobicContact CG-CE3 3.62Å; K180-W298 HydrophobicContact CG-CG 4.24Å; K180-W298 HydrophobicContact CG-CZ3 4.25Å
181V97.9Very high96.9Very high1 Ų120.7 Ų20.71%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-110.1120.4-178-1800000109.5I148 L175 W177 G179 W298 V299 V301I148-V181 HydrophobicContact CB-CG1 3.65Å; I148-V181 HydrophobicContact CD1-CG1 4.1Å; I148-V181 HydrophobicContact CG1-CG1 4.42Å; I148-V181 HydrophobicContact CG2-CG1 3.97Å; L175-V181 HydrophobicContact CD2-CG1 4.19Å; W177-V181 HydrophobicContact CZ2-CG1 4.07Å; W177-V181 HydrophobicContact CZ2-CG2 4.38Å; G179-V181 PolarHBondContact O-N 3.34Å; V181-W298 CarbonylContact O-C 3.51Å; V181-W298 WeakPolarHBondContact O-CA 3.27Å; V181-W298 WeakPolarHBondContact O-CB 3.5Å; V181-V299 HydrophobicContact CB-CG2 4.33Å; V181-V299 PolarHBondContact N-O 3.32Å; V181-V299 PolarHBondContact O-N 3.36Å; V181-V301 HydrophobicContact CB-CG2 4.15Å; V181-V301 HydrophobicContact CG2-CB 4.34Å; V181-V301 HydrophobicContact CG2-CG2 3.54Å
182K98.1Very high96.7Very high79 Ų7921.3 Ų21.334%0.34311%0.113SC..EExtended strand (participates in β ladder)trans-96.5136.2-179.4-178.3173.7173.5141.60111I148 H149 D297I148-K182 CarbonylContact C-O 3.17Å; I148-K182 VanDerWaalsContact CA-O 3.23Å; I148-K182 WeakPolarHBondContact CA-O 3.46Å; H149-K182 PolarHBondContact N-O 2.93Å; H149-K182 PolarHBondContact ND1-O 3.37Å; H149-K182 WeakPolarHBondContact O-CB 3.35Å; H149-K182 PolarHBondContact O-N 3.4Å; K182-D297 CarbonylContact C-O 3.07Å; K182-D297 WeakPolarHBondContact CA-O 3.42Å; K182-D297 WeakPolarHBondContact CE-OD2 3.47Å; K182-D297 IonicContact NZ-OD2 3.12Å; K182-D297 PolarHBondContact NZ-OD2 2.98Å
183V98.5Very high96.6Very high2 Ų220.1 Ų20.11%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-90.4142.1173.1176.70000109.7F108 I110 L123 V125 I148 F173 I185 D297F108-V183 HydrophobicContact CD2-CG1 4.36Å; F108-V183 HydrophobicContact CE2-CB 4.02Å; F108-V183 HydrophobicContact CE2-CG1 3.76Å; F108-V183 HydrophobicContact CZ-CB 4.23Å; F108-V183 HydrophobicContact CZ-CG1 4.01Å; I110-V183 HydrophobicContact CD1-CB 4.13Å; I110-V183 HydrophobicContact CD1-CG2 3.63Å; I110-V183 HydrophobicContact CG1-CG2 4.19Å; L123-V183 HydrophobicContact CD2-CG2 3.87Å; V125-V183 HydrophobicContact CG1-CG1 4.46Å; V125-V183 HydrophobicContact CG2-CG1 4.24Å; V125-V183 HydrophobicContact CG2-CG2 4.23Å; I148-V183 HydrophobicContact CG2-CG2 3.88Å; F173-V183 HydrophobicContact CE2-CG1 3.88Å; F173-V183 HydrophobicContact CE2-CG2 4.34Å; F173-V183 HydrophobicContact CZ-CG1 4.15Å; V183-I185 HydrophobicContact CG1-CD1 4.3Å; V183-I185 HydrophobicContact CG1-CG1 4.05Å; V183-D297 PolarHBondContact N-O 3.23Å
184S98.4Very high96.5Very high18 Ų1820.2 Ų20.213%0.12611%0.108CC..EExtended strand (participates in β ladder)trans-140.1135.2168.5-64.30000110.5A146 R147 H149A146-S184 WeakPolarHBondContact CA-O 3.46Å; R147-S184 PolarHBondContact N-O 3.14Å; R147-S184 PolarHBondContact O-N 3.09Å; H149-S184 PolarHBondContact CE1-OG 3.08Å
185I98.6Very high96.4Very high2 Ų223.6 Ų23.61%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-129.3134.8-177.8-56.7-174.3000107.5F108 V125 V127 A146 V171 V183 P290 I291F108-I185 HydrophobicContact CB-CD1 3.75Å; F108-I185 HydrophobicContact CD1-CB 4.28Å; F108-I185 HydrophobicContact CD1-CD1 3.99Å; F108-I185 HydrophobicContact CD1-CG1 4.19Å; F108-I185 HydrophobicContact CD2-CD1 4.2Å; F108-I185 HydrophobicContact CE1-CG1 4.47Å; F108-I185 HydrophobicContact CG-CD1 3.72Å; F108-I185 HydrophobicContact CG-CG1 4.39Å; V125-I185 HydrophobicContact CG1-CD1 3.8Å; V127-I185 HydrophobicContact CG2-CD1 3.42Å; V127-I185 VanDerWaalsContact CG2-CD1 3.42Å; V127-I185 HydrophobicContact CG2-CG2 4.24Å; A146-I185 HydrophobicContact CB-CG1 4.21Å; V171-I185 HydrophobicContact CG2-CD1 4.11Å; V183-I185 HydrophobicContact CG1-CD1 4.3Å; V183-I185 HydrophobicContact CG1-CG1 4.05Å; I185-P290 WeakPolarHBondContact O-CA 3.46Å; I185-I291 HydrophobicContact CG2-CB 4.44Å; I185-I291 HydrophobicContact CG2-CD1 4.2Å; I185-I291 PolarHBondContact O-N 3.29Å
186F98.2Very high96.3Very high54 Ų5424 Ų2424%0.23712%0.121CC..EExtended strand (participates in β ladder)trans-126.8130.9-177.9-61.1-93.5000109.6L144 Q145 V188 M289 P290L144-F186 VanDerWaalsContact CA-O 3.28Å; L144-F186 WeakPolarHBondContact CA-O 3.15Å; Q145-F186 PolarHBondContact N-O 3.43Å; Q145-F186 PolarHBondContact O-N 3.27Å; F186-V188 PolarHBondContact O-N 2.8Å; F186-M289 CarbonylContact C-O 3.59Å; F186-M289 VanDerWaalsContact CA-O 3.29Å; F186-M289 WeakPolarHBondContact CA-O 3.28Å; F186-P290 HydrophobicContact CD1-CB 4.13Å; F186-P290 HydrophobicContact CE1-CB 4.04Å
187L98.4Very high96.4Very high0 Ų023 Ų230%012%0.115CC..EExtended strand (participates in β ladder)trans-76.9109.4161.6178.968.4000108T101 P103 D142 L144 K288 M289 I291T101-L187 HydrophobicContact CG2-CD1 4.15Å; T101-L187 HydrophobicContact CG2-CD2 3.83Å; P103-L187 HydrophobicContact CB-CB 4.06Å; P103-L187 HydrophobicContact CB-CD2 3.91Å; P103-L187 HydrophobicContact CG-CD2 3.96Å; D142-L187 HydrophobicContact CB-CD1 3.86Å; L144-L187 HydrophobicContact CD2-CB 4.17Å; L144-L187 HydrophobicContact CD2-CD1 3.58Å; L187-K288 CarbonylContact O-C 3.58Å; L187-K288 WeakPolarHBondContact O-CA 3.21Å; L187-K288 PolarHBondContact O-N 2.94Å; L187-M289 PolarHBondContact N-O 3.36Å; L187-M289 PolarHBondContact O-N 2.93Å; L187-I291 HydrophobicContact CB-CD1 4.3Å; L187-I291 HydrophobicContact CB-CG1 4.39Å
188V97.7Very high96.2Very high0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-76.9-54175.9-175.10000109.7Y143 Q145 F186 K288 L489 D499Y143-V188 HydrophobicContact CD1-CB 3.52Å; Y143-V188 HydrophobicContact CD1-CG1 3.67Å; Y143-V188 HydrophobicContact CD1-CG2 3.91Å; Y143-V188 HydrophobicContact CE1-CB 4.02Å; Y143-V188 HydrophobicContact CE1-CG1 3.91Å; Y143-V188 HydrophobicContact CE1-CG2 4Å; Y143-V188 HydrophobicContact CG-CB 4.24Å; Y143-V188 WeakPolarHBondContact O-CA 3.34Å; Y143-V188 VanDerWaalsContact O-CB 3.27Å; Y143-V188 WeakPolarHBondContact O-CB 3.27Å; Y143-V188 PolarHBondContact O-N 3.2Å; Q145-V188 HydrophobicContact CB-CG2 3.96Å; Q145-V188 VanDerWaalsContact CD-CG2 3.47Å; Q145-V188 HydrophobicContact CG-CG2 3.55Å; F186-V188 PolarHBondContact O-N 2.8Å; V188-K288 PolarHBondContact O-N 2.85Å; V188-K288 VanDerWaalsContact O-N 3.08Å; V188-L489 HydrophobicContact CG1-CD1 3.51Å; V188-D499 HydrophobicContact CG1-CB 4.15Å
189H97.1Very high96.1Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-143.2139.7173.9-67.3-54.4000110.7Y143 I194 S494 S498Y143-H189 PolarHBondContact N-O 3.44Å; Y143-H189 PolarHBondContact O-N 2.93Å; H189-I194 HydrophobicContact CB-CD1 4.14Å; H189-I194 HydrophobicContact CB-CG1 3.79Å; H189-S494 PolarHBondContact CE1-OG 3.2Å; H189-S498 PolarHBondContact CD2-OG 2.89Å; H189-S498 PolarHBondContact NE2-OG 2.69Å
190P96.1Very high96Very high0 Ų024 Ų240%011%0.105CC..  trans-67.6153.4169.232-36.2000110.5D142 E192 G193 I194D142-P190 WeakPolarHBondContact OD1-CA 3.31Å; P190-E192 WeakPolarHBondContact CB-OE2 3.49Å; P190-E192 PolarHBondContact O-N 3.04Å; P190-E192 VanDerWaalsContact O-N 3.12Å; P190-G193 PolarHBondContact O-N 2.87Å; P190-I194 PolarHBondContact O-N 2.74Å
191S94.8Very high95.7Very high5 Ų518.8 Ų18.84%0.0358%0.082CC..Hα-helixtrans-53.3-3317952.80000113.6K137 Y139 G140 D142 I194 R195K137-S191 PolarHBondContact NZ-OG 3.17Å; Y139-S191 WeakPolarHBondContact CE2-OG 3.33Å; G140-S191 VanDerWaalsContact O-CB 3.29Å; G140-S191 WeakPolarHBondContact O-CB 3.36Å; D142-S191 PolarHBondContact OD1-N 3.13Å; S191-I194 PolarHBondContact O-N 2.86Å; S191-R195 PolarHBondContact O-N 3.31Å
192E94.1Very high95.2Very high14 Ų1422.8 Ų22.87%0.06510%0.101CC..Hα-helixtrans-69.7-42.6178.5-6173.5-166.300111V95 S100 K137 Y139 P190 I194 R195 V196 F280V95-E192 HydrophobicContact CB-CG 3.76Å; V95-E192 HydrophobicContact CG1-CG 4.07Å; V95-E192 HydrophobicContact CG2-CG 4.36Å; S100-E192 WeakPolarHBondContact CB-OE2 3.44Å; K137-E192 IonicContact NZ-OE1 3.6Å; K137-E192 PolarHBondContact NZ-OE1 2.93Å; K137-E192 IonicContact NZ-OE2 3.53Å; Y139-E192 WeakPolarHBondContact CE2-OE1 3.41Å; Y139-E192 VanDerWaalsContact CZ-OE1 3.25Å; Y139-E192 PolarHBondContact OH-OE1 3.08Å; P190-E192 WeakPolarHBondContact CB-OE2 3.49Å; P190-E192 PolarHBondContact O-N 3.04Å; P190-E192 VanDerWaalsContact O-N 3.12Å; E192-I194 VanDerWaalsContact C-N 3.32Å; E192-R195 WeakPolarHBondContact O-CB 3.39Å; E192-R195 PolarHBondContact O-N 2.89Å; E192-V196 PolarHBondContact O-N 2.99Å; E192-F280 HydrophobicContact CB-CD1 3.85Å; E192-F280 HydrophobicContact CB-CE1 3.52Å; E192-F280 HydrophobicContact CB-CE2 4.27Å; E192-F280 HydrophobicContact CB-CG 4.36Å; E192-F280 HydrophobicContact CB-CZ 3.77Å; E192-F280 HydrophobicContact CG-CE1 4.13Å; E192-F280 HydrophobicContact CG-CZ 4.42Å
193G95.3Very high94.8Very high0 Ų023.8 Ų23.80%011%0.11CC..Hα-helixtrans-64.8-38172.600000111.6P190 R195 V196 L197 F281P190-G193 PolarHBondContact O-N 2.87Å; G193-R195 VanDerWaalsContact C-N 3.32Å; G193-R195 PolarHBondContact O-N 2.87Å; G193-V196 WeakPolarHBondContact O-CB 3.46Å; G193-V196 PolarHBondContact O-N 2.78Å; G193-V196 VanDerWaalsContact O-N 3.11Å; G193-L197 WeakPolarHBondContact O-CG 3.21Å; G193-L197 PolarHBondContact O-N 3.13Å; G193-F281 WeakPolarHBondContact O-CZ 3.35Å
194I95Very high94.6Very high2 Ų228.5 Ų28.51%0.0113%0.13CC..Hα-helixtrans-62.3-39175.4-71.7162.9000111.5G141 H189 P190 S191 E192 V196 L197 Q198 W500G141-I194 WeakPolarHBondContact O-CD1 3.33Å; H189-I194 HydrophobicContact CB-CD1 4.14Å; H189-I194 HydrophobicContact CB-CG1 3.79Å; P190-I194 PolarHBondContact O-N 2.74Å; S191-I194 PolarHBondContact O-N 2.86Å; E192-I194 VanDerWaalsContact C-N 3.32Å; I194-V196 VanDerWaalsContact C-N 3.27Å; I194-V196 PolarHBondContact O-N 2.75Å; I194-L197 WeakPolarHBondContact O-CB 3.5Å; I194-L197 PolarHBondContact O-N 2.95Å; I194-L197 VanDerWaalsContact O-N 3.15Å; I194-Q198 WeakPolarHBondContact O-CB 3.38Å; I194-Q198 PolarHBondContact O-N 3.15Å; I194-W500 HydrophobicContact CG1-CD2 4.39Å; I194-W500 HydrophobicContact CG1-CG 4.25Å; I194-W500 HydrophobicContact CG2-CD2 4.06Å; I194-W500 VanDerWaalsContact CG2-CE2 3.46Å; I194-W500 HydrophobicContact CG2-CH2 4.06Å; I194-W500 HydrophobicContact CG2-CZ2 3.48Å; I194-W500 VanDerWaalsContact CG2-CZ2 3.48Å
195R92.4Very high94.2Very high91 Ų9127.9 Ų27.934%0.34313%0.126SC..Hα-helixtrans-59-40.5173.4-177.862.266.9149.40.9111.8V89 P90 S191 E192 G193 Q198 R199V89-R195 HydrophobicContact CG1-CB 4.44Å; V89-R195 VanDerWaalsContact CG1-NE 3.27Å; V89-R195 PolarHBondContact O-NH2 3.35Å; P90-R195 VanDerWaalsContact C-NH2 3.28Å; P90-R195 PolarHBondContact O-NH2 3.12Å; S191-R195 PolarHBondContact O-N 3.31Å; E192-R195 WeakPolarHBondContact O-CB 3.39Å; E192-R195 PolarHBondContact O-N 2.89Å; G193-R195 VanDerWaalsContact C-N 3.32Å; G193-R195 PolarHBondContact O-N 2.87Å; R195-Q198 PolarHBondContact O-N 3.34Å; R195-R199 PolarHBondContact O-N 2.9Å
196V94.7Very high93.8Very high10 Ų1030.6 Ų30.66%0.06114%0.14CC..Hα-helixtrans-64.8-44.5174.7-178.40000111.1E192 G193 I194 Q198 R199 L200 L273 E277 F280 F281E192-V196 PolarHBondContact O-N 2.99Å; G193-V196 WeakPolarHBondContact O-CB 3.46Å; G193-V196 PolarHBondContact O-N 2.78Å; G193-V196 VanDerWaalsContact O-N 3.11Å; I194-V196 VanDerWaalsContact C-N 3.27Å; I194-V196 PolarHBondContact O-N 2.75Å; V196-Q198 PolarHBondContact O-N 3.14Å; V196-R199 PolarHBondContact O-N 3.29Å; V196-L200 HydrophobicContact CG1-CD1 4.28Å; V196-L200 HydrophobicContact CG1-CG 4.49Å; V196-L200 VanDerWaalsContact O-CG 3.31Å; V196-L200 WeakPolarHBondContact O-CG 3.42Å; V196-L200 PolarHBondContact O-N 3Å; V196-L273 HydrophobicContact CG1-CD2 3.6Å; V196-E277 HydrophobicContact CG1-CB 4.23Å; V196-E277 HydrophobicContact CG1-CG 4.24Å; V196-E277 HydrophobicContact CG2-CB 4.17Å; V196-E277 HydrophobicContact CG2-CG 3.78Å; V196-F280 HydrophobicContact CG2-CD2 4.15Å; V196-F281 HydrophobicContact CB-CE2 4Å; V196-F281 HydrophobicContact CB-CZ 4.19Å; V196-F281 HydrophobicContact CG1-CE2 3.92Å; V196-F281 HydrophobicContact CG1-CZ 4.35Å
197L95.3Very high93.6Very high0 Ų028 Ų280%013%0.129CC..Hα-helixtrans-59.4-45.8176.1-67.6-176.5000111.6G193 I194 L200 Q201 F281 S494 L495 W500 Y501G193-L197 WeakPolarHBondContact O-CG 3.21Å; G193-L197 PolarHBondContact O-N 3.13Å; I194-L197 WeakPolarHBondContact O-CB 3.5Å; I194-L197 PolarHBondContact O-N 2.95Å; I194-L197 VanDerWaalsContact O-N 3.15Å; L197-L200 PolarHBondContact O-N 2.86Å; L197-Q201 PolarHBondContact O-N 3.27Å; L197-F281 HydrophobicContact CD1-CE1 4.25Å; L197-F281 HydrophobicContact CD2-CE1 3.67Å; L197-F281 HydrophobicContact CD2-CZ 3.67Å; L197-F281 HydrophobicContact CG-CE1 3.9Å; L197-F281 HydrophobicContact CG-CZ 3.81Å; L197-S494 WeakPolarHBondContact CD2-O 3.13Å; L197-L495 HydrophobicContact CD2-CD2 4.03Å; L197-W500 HydrophobicContact CB-CE3 3.94Å; L197-W500 HydrophobicContact CB-CZ3 3.94Å; L197-W500 HydrophobicContact CD1-CB 4.46Å; L197-W500 HydrophobicContact CD1-CE3 4.09Å; L197-Y501 VanDerWaalsContact C-OH 3.31Å; L197-Y501 VanDerWaalsContact CA-OH 3.23Å; L197-Y501 WeakPolarHBondContact CA-OH 3.41Å; L197-Y501 HydrophobicContact CB-CE1 4.05Å; L197-Y501 HydrophobicContact CB-CE2 4.46Å; L197-Y501 VanDerWaalsContact CB-OH 3.28Å; L197-Y501 WeakPolarHBondContact CB-OH 3.39Å; L197-Y501 HydrophobicContact CD1-CE2 4.5Å; L197-Y501 HydrophobicContact CD2-CE2 4.02Å; L197-Y501 WeakPolarHBondContact CD2-OH 3.46Å; L197-Y501 PolarHBondContact O-OH 2.82Å
198Q92.7Very high93.4Very high27 Ų2728 Ų2813%0.12613%0.129CC..Hα-helixtrans-59.6-50.5177-173.7-177.9-7.800111.4I194 R195 V196 L200 Q201 E202 W500I194-Q198 WeakPolarHBondContact O-CB 3.38Å; I194-Q198 PolarHBondContact O-N 3.15Å; R195-Q198 PolarHBondContact O-N 3.34Å; V196-Q198 PolarHBondContact O-N 3.14Å; Q198-L200 VanDerWaalsContact C-N 3.27Å; Q198-L200 PolarHBondContact O-N 2.79Å; Q198-Q201 WeakPolarHBondContact O-CB 3.48Å; Q198-Q201 PolarHBondContact O-N 3.13Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.47Å; Q198-E202 PolarHBondContact NE2-OE1 3.19Å; Q198-E202 WeakPolarHBondContact O-CG 3.36Å; Q198-E202 PolarHBondContact O-N 2.79Å; Q198-W500 HydrophobicContact CB-CH2 4.01Å
199R92.4Very high93.2Very high77 Ų7730.5 Ų30.529%0.29114%0.139SC..Hα-helixtrans-54.9-44.8175.3-176.3-158.266.2179-8111.2R195 V196 Q201 E202 D203 L272 E277R195-R199 PolarHBondContact O-N 2.9Å; V196-R199 PolarHBondContact O-N 3.29Å; R199-Q201 VanDerWaalsContact C-N 3.31Å; R199-Q201 PolarHBondContact O-N 2.82Å; R199-E202 PolarHBondContact O-N 2.96Å; R199-D203 HydrophobicContact CG-CB 4.48Å; R199-D203 WeakPolarHBondContact CG-OD2 3.39Å; R199-D203 WeakPolarHBondContact O-CB 3.44Å; R199-D203 PolarHBondContact O-N 2.71Å; R199-L272 PolarHBondContact NH2-O 3.01Å; R199-E277 IonicContact CZ-OE1 2.92Å; R199-E277 IonicContact CZ-OE2 2.76Å; R199-E277 IonicContact NH1-OE1 3.99Å; R199-E277 PolarHBondContact NH1-OE1 2.98Å; R199-E277 IonicContact NH1-OE2 2.65Å; R199-E277 IonicContact NH2-OE1 3.21Å; R199-E277 PolarHBondContact NH2-OE1 2.89Å; R199-E277 IonicContact NH2-OE2 3.03Å; R199-E277 PolarHBondContact NH2-OE2 3.12Å
200L94.4Very high93.2Very high1 Ų130.5 Ų30.51%0.00514%0.139CC..Hα-helixtrans-61.7-40.2178.6-71.7174.7000111.8V196 L197 Q198 E202 K204 R207 L272 L273 L495V196-L200 HydrophobicContact CG1-CD1 4.28Å; V196-L200 HydrophobicContact CG1-CG 4.49Å; V196-L200 VanDerWaalsContact O-CG 3.31Å; V196-L200 WeakPolarHBondContact O-CG 3.42Å; V196-L200 PolarHBondContact O-N 3Å; L197-L200 PolarHBondContact O-N 2.86Å; Q198-L200 VanDerWaalsContact C-N 3.27Å; Q198-L200 PolarHBondContact O-N 2.79Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-K204 HydrophobicContact CD2-CB 4.27Å; L200-K204 HydrophobicContact CD2-CG 4.22Å; L200-K204 CarbonylContact O-C 3.38Å; L200-K204 VanDerWaalsContact O-CA 3.23Å; L200-K204 WeakPolarHBondContact O-CA 3.29Å; L200-K204 WeakPolarHBondContact O-CB 3.41Å; L200-K204 PolarHBondContact O-N 3.3Å; L200-R207 PolarHBondContact O-NH1 2.85Å; L200-L272 HydrophobicContact CD2-CB 4.1Å; L200-L272 HydrophobicContact CD2-CD2 4.48Å; L200-L273 HydrophobicContact CD1-CD2 4.02Å; L200-L495 HydrophobicContact CD1-CD2 3.93Å
201Q90.8Very high93.3Very high11 Ų1133.7 Ų33.75%0.05115%0.153CC..Hα-helixtrans-63.9-36.4176.8-166.2175.217.400112.6L197 Q198 R199 F451 Y501L197-Q201 PolarHBondContact O-N 3.27Å; Q198-Q201 WeakPolarHBondContact O-CB 3.48Å; Q198-Q201 PolarHBondContact O-N 3.13Å; R199-Q201 VanDerWaalsContact C-N 3.31Å; R199-Q201 PolarHBondContact O-N 2.82Å; Q201-F451 VanDerWaalsContact CG-O 3.29Å; Q201-F451 WeakPolarHBondContact CG-O 3.32Å; Q201-F451 PolarHBondContact NE2-O 2.53Å; Q201-Y501 HydrophobicContact CB-CE1 4.09Å; Q201-Y501 HydrophobicContact CG-CE1 4.46Å
202E87.1Confident93.5Very high85 Ų8533.5 Ų33.540%0.39715%0.151SC..Hα-helixtrans-79.3-49.5179.5-67.3170.2179.200111.8R59 Q198 R199 L200R59-E202 IonicContact CZ-OE1 3.65Å; R59-E202 IonicContact NE-OE1 3.62Å; R59-E202 IonicContact NH2-OE1 3.06Å; R59-E202 PolarHBondContact NH2-OE1 3.47Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.47Å; Q198-E202 PolarHBondContact NE2-OE1 3.19Å; Q198-E202 WeakPolarHBondContact O-CG 3.36Å; Q198-E202 PolarHBondContact O-N 2.79Å; R199-E202 PolarHBondContact O-N 2.96Å; L200-E202 VanDerWaalsContact C-N 3.32Å
203D89.9Confident93.7Very high101 Ų10134.2 Ų34.254%0.5416%0.155SC..Hα-helixtrans-93.2-25.7-170.2-64.8-14000114.3R199R199-D203 HydrophobicContact CG-CB 4.48Å; R199-D203 WeakPolarHBondContact CG-OD2 3.39Å; R199-D203 WeakPolarHBondContact O-CB 3.44Å; R199-D203 PolarHBondContact O-N 2.71Å
204K92.8Very high93.8Very high100 Ų10034.2 Ų34.244%0.43516%0.155SC..  trans-131.452.8-174.6-58.9-65.4176.5-168.60112.3L200 D206 R207L200-K204 HydrophobicContact CD2-CB 4.27Å; L200-K204 HydrophobicContact CD2-CG 4.22Å; L200-K204 CarbonylContact O-C 3.38Å; L200-K204 VanDerWaalsContact O-CA 3.23Å; L200-K204 WeakPolarHBondContact O-CA 3.29Å; L200-K204 WeakPolarHBondContact O-CB 3.41Å; L200-K204 PolarHBondContact O-N 3.3Å; K204-D206 VanDerWaalsContact C-N 3.29Å; K204-D206 PolarHBondContact O-N 2.93Å; K204-R207 HydrophobicContact CB-CB 4.31Å; K204-R207 VanDerWaalsContact O-CB 3.26Å; K204-R207 WeakPolarHBondContact O-CB 3.34Å; K204-R207 WeakPolarHBondContact O-CD 3.48Å; K204-R207 WeakPolarHBondContact O-CG 3.44Å; K204-R207 PolarHBondContact O-N 3.02Å; K204-R207 PolarHBondContact O-NH1 2.91Å
205P90.9Very high94Very high5 Ų540.4 Ų40.43%0.03218%0.178CC..G310 helixtrans-70.2-26.3179.229.5-36.8000113.7Y62 R207 T450 F451 P452Y62-P205 HydrophobicContact CD2-CB 4.47Å; Y62-P205 HydrophobicContact CD2-CG 3.51Å; Y62-P205 HydrophobicContact CE1-CG 4.35Å; Y62-P205 HydrophobicContact CE2-CB 4.1Å; Y62-P205 HydrophobicContact CE2-CG 3.1Å; Y62-P205 HydrophobicContact CG-CG 4.29Å; P205-R207 PolarHBondContact O-N 3.07Å; P205-T450 VanDerWaalsContact CA-O 3.3Å; P205-T450 WeakPolarHBondContact CA-O 3.32Å; P205-F451 HydrophobicContact CB-CD1 4.42Å; P205-P452 HydrophobicContact CB-CG 4.2Å
206D89.1Confident94.1Very high59 Ų5939.5 Ų39.532%0.31619%0.186SC..G310 helixtrans-79.96.8174.366.2-22.7000113.6K204 V208 Y209 N226K204-D206 VanDerWaalsContact C-N 3.29Å; K204-D206 PolarHBondContact O-N 2.93Å; D206-V208 CarbonylContact O-C 3.49Å; D206-V208 PolarHBondContact O-N 3.26Å; D206-Y209 PolarHBondContact O-N 2.71Å; D206-N226 WeakPolarHBondContact CB-ND2 3.28Å
207R94.4Very high94.1Very high0 Ų042.4 Ų42.40%022%0.218CC..G310 helixtrans-59-16.7175.970.5-179.7177.5-89.69.4114.2L200 K204 P205 Y268 L269 L272 T450 L495 F496 Y501L200-R207 PolarHBondContact O-NH1 2.85Å; K204-R207 HydrophobicContact CB-CB 4.31Å; K204-R207 VanDerWaalsContact O-CB 3.26Å; K204-R207 WeakPolarHBondContact O-CB 3.34Å; K204-R207 WeakPolarHBondContact O-CD 3.48Å; K204-R207 WeakPolarHBondContact O-CG 3.44Å; K204-R207 PolarHBondContact O-N 3.02Å; K204-R207 PolarHBondContact O-NH1 2.91Å; P205-R207 PolarHBondContact O-N 3.07Å; R207-Y268 WeakPolarHBondContact O-CA 3.14Å; R207-L269 HydrophobicContact CB-CB 4.35Å; R207-L269 HydrophobicContact CB-CD1 4.36Å; R207-L269 HydrophobicContact CB-CG 4.49Å; R207-L269 PolarHBondContact O-N 2.81Å; R207-L272 HydrophobicContact CB-CD1 4.12Å; R207-L272 HydrophobicContact CB-CD2 4.02Å; R207-L272 HydrophobicContact CG-CD1 4.47Å; R207-T450 HydrophobicContact CG-CG2 3.96Å; R207-T450 PolarHBondContact NH1-O 3.41Å; R207-L495 PolarHBondContact NE-O 2.83Å; R207-L495 PolarHBondContact NH2-O 2.67Å; R207-F496 HydrophobicContact CB-CE1 4.19Å; R207-F496 HydrophobicContact CG-CD1 4.1Å; R207-F496 HydrophobicContact CG-CE1 3.79Å; R207-Y501 VanDerWaalsContact NH2-CZ 3.34Å; R207-Y501 PolarHBondContact NH2-OH 3.47Å
208V94.8Very high94.1Very high0 Ų054.6 Ų54.60%026%0.264CS..EExtended strand (participates in β ladder)trans-105.8113.4157.1-170.70000106.9D206 F210 K265 Y268 R413 T450 F496D206-V208 CarbonylContact O-C 3.49Å; D206-V208 PolarHBondContact O-N 3.26Å; V208-F210 HydrophobicContact CB-CE2 4.48Å; V208-F210 HydrophobicContact CB-CZ 4.42Å; V208-F210 HydrophobicContact CG1-CE1 4.3Å; V208-F210 HydrophobicContact CG1-CE2 4.19Å; V208-F210 HydrophobicContact CG1-CZ 3.8Å; V208-F210 WeakPolarHBondContact O-CE2 3.44Å; V208-K265 HydrophobicContact CG1-CD 4.27Å; V208-K265 HydrophobicContact CG1-CG 4.09Å; V208-Y268 HydrophobicContact CG1-CD1 4.46Å; V208-Y268 HydrophobicContact CG1-CE1 4.22Å; V208-Y268 HydrophobicContact CG2-CD1 3.75Å; V208-Y268 HydrophobicContact CG2-CE1 3.74Å; V208-R413 HydrophobicContact CG1-CG 4.23Å; V208-T450 HydrophobicContact CG2-CG2 3.69Å; V208-F496 HydrophobicContact CG2-CD1 3.88Å; V208-F496 HydrophobicContact CG2-CE1 4.41Å
209Y93.6Very high94.3Very high52 Ų5257.3 Ų57.320%0.20428%0.279CS..EExtended strand (participates in β ladder)trans-105.7152.7178.866.8-86.8000110.4D206 K211 E224 G266 G267 L269D206-Y209 PolarHBondContact O-N 2.71Å; Y209-K211 HydrophobicContact CE2-CD 4.45Å; Y209-E224 HydrophobicContact CD2-CG 4.45Å; Y209-G266 VanDerWaalsContact CZ-C 3.47Å; Y209-G266 WeakPolarHBondContact O-CA 2.91Å; Y209-G266 PolarHBondContact O-N 3.39Å; Y209-G266 PolarHBondContact OH-O 3.13Å; Y209-G267 PolarHBondContact N-O 3.36Å; Y209-G267 PolarHBondContact O-N 2.95Å; Y209-L269 HydrophobicContact CD1-CD2 3.85Å; Y209-L269 HydrophobicContact CD1-CG 4.39Å; Y209-L269 HydrophobicContact CE1-CD2 3.98Å
210F97.5Very high94.5Very high0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-120.8161-176.5-52.9-95.4000109.8V208 E224 C225 W247 H263 F264 K265 P411 I412 R413 F451V208-F210 HydrophobicContact CB-CE2 4.48Å; V208-F210 HydrophobicContact CB-CZ 4.42Å; V208-F210 HydrophobicContact CG1-CE1 4.3Å; V208-F210 HydrophobicContact CG1-CE2 4.19Å; V208-F210 HydrophobicContact CG1-CZ 3.8Å; V208-F210 WeakPolarHBondContact O-CE2 3.44Å; F210-E224 CarbonylContact O-C 3.53Å; F210-E224 WeakPolarHBondContact O-CA 3.17Å; F210-E224 VanDerWaalsContact O-CG 3.29Å; F210-E224 WeakPolarHBondContact O-CG 3.4Å; F210-C225 CarbonylContact C-O 3.54Å; F210-C225 WeakPolarHBondContact CA-O 3.4Å; F210-C225 HydrophobicContact CB-CB 4.45Å; F210-C225 VanDerWaalsContact CB-O 3.31Å; F210-C225 WeakPolarHBondContact CB-O 3.37Å; F210-C225 PolarHBondContact N-O 3.15Å; F210-C225 PolarHBondContact O-N 3.12Å; F210-W247 HydrophobicContact CB-CH2 4.08Å; F210-W247 HydrophobicContact CB-CZ2 4Å; F210-W247 HydrophobicContact CD1-CH2 4.44Å; F210-W247 AromaticContact CD2-CH2 3.76Å; F210-W247 HydrophobicContact CD2-CH2 3.76Å; F210-W247 HydrophobicContact CE2-CH2 4.35Å; F210-W247 AromaticContact CG-CH2 3.83Å; F210-W247 HydrophobicContact CG-CH2 3.83Å; F210-W247 HydrophobicContact CG-CZ2 4.23Å; F210-H263 AromaticContact CD1-CE1 3.46Å; F210-H263 VanDerWaalsContact CD1-CE1 3.46Å; F210-H263 WeakPolarHBondContact CD1-CE1 3.22Å; F210-H263 AromaticContact CD1-NE2 3.67Å; F210-H263 AromaticContact CG-CE1 3.8Å; F210-F264 CarbonylContact C-O 3.51Å; F210-F264 WeakPolarHBondContact CA-O 3.32Å; F210-K265 HydrophobicContact CD1-CB 4.49Å; F210-P411 HydrophobicContact CE1-CB 4.44Å; F210-P411 HydrophobicContact CE2-CB 4.05Å; F210-P411 HydrophobicContact CZ-CB 3.79Å; F210-I412 VanDerWaalsContact CE1-O 3.28Å; F210-I412 WeakPolarHBondContact CE1-O 3.41Å; F210-R413 HydrophobicContact CE1-CB 4.49Å; F210-R413 HydrophobicContact CE1-CG 3.88Å; F210-R413 HydrophobicContact CZ-CG 3.95Å; F210-F451 HydrophobicContact CE2-CE2 4.49Å; F210-F451 AromaticContact CE2-CZ 3.98Å; F210-F451 HydrophobicContact CE2-CZ 3.98Å
211K97.9Very high94.7Very high68 Ų6858.3 Ų58.330%0.29629%0.294SS..EExtended strand (participates in β ladder)trans-136.3153.8178.6-75178.3172.3172.40109.9Y209 T222 T223 H263 F264Y209-K211 HydrophobicContact CE2-CD 4.45Å; K211-T222 HydrophobicContact CB-CG2 3.83Å; K211-T222 HydrophobicContact CD-CG2 3.93Å; K211-T222 HydrophobicContact CG-CG2 4.2Å; K211-T223 CarbonylContact C-O 3.38Å; K211-T223 VanDerWaalsContact CA-O 3.25Å; K211-T223 WeakPolarHBondContact CA-O 3.16Å; K211-H263 CarbonylContact O-C 3.52Å; K211-H263 WeakPolarHBondContact O-CA 3.33Å; K211-F264 HydrophobicContact CB-CD1 4.39Å; K211-F264 HydrophobicContact CB-CD2 4.11Å; K211-F264 HydrophobicContact CB-CE1 3.92Å; K211-F264 HydrophobicContact CB-CE2 3.61Å; K211-F264 HydrophobicContact CB-CG 4.47Å; K211-F264 HydrophobicContact CB-CZ 3.51Å; K211-F264 HydrophobicContact CD-CE2 4.14Å; K211-F264 HydrophobicContact CD-CZ 4.35Å; K211-F264 HydrophobicContact CG-CE2 4.44Å; K211-F264 PolarHBondContact N-O 3.26Å; K211-F264 WeakPolarHBondContact O-CD1 3.42Å; K211-F264 PolarHBondContact O-N 2.77Å
212S98.1Very high95Very high0 Ų061.2 Ų61.20%031%0.312CS..EExtended strand (participates in β ladder)trans-127140.2169.7-69.60000110.1T222 T223 C225 R260 T262S212-T222 WeakPolarHBondContact O-CA 3.25Å; S212-T223 PolarHBondContact N-O 3.36Å; S212-T223 PolarHBondContact O-N 3.29Å; S212-T223 VanDerWaalsContact O-N 3.1Å; S212-C225 WeakPolarHBondContact CB-SG 3.46Å; S212-C225 PolarHBondContact OG-SG 3.18Å; S212-R260 PolarHBondContact OG-NE 3.39Å; S212-R260 VanDerWaalsContact OG-NE 3.15Å; S212-T262 VanDerWaalsContact CA-O 3.28Å; S212-T262 WeakPolarHBondContact CA-O 3.28Å; S212-T262 WeakPolarHBondContact CB-O 3.38Å; S212-T262 PolarHBondContact OG-O 2.7Å
213L98.1Very high95.5Very high30 Ų3058.1 Ų58.116%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-85.6129.9168.8-179.466.6000109.4I261 T262L213-I261 PolarHBondContact O-N 3.39Å; L213-T262 VanDerWaalsContact CB-OG1 3.27Å; L213-T262 WeakPolarHBondContact CB-OG1 3.21Å; L213-T262 PolarHBondContact N-OG1 3Å; L213-T262 PolarHBondContact O-N 3.22Å
214F98.5Very high95.9Very high0 Ų056.2 Ų56.20%029%0.287CS..EExtended strand (participates in β ladder)trans-109.1135.6170-65.9-100.6000108.5S220 E221 T223 F238 C249 P252 L255 S259 R260F214-S220 CarbonylContact O-C 3.59Å; F214-S220 WeakPolarHBondContact O-CA 3.47Å; F214-S220 WeakPolarHBondContact O-CB 3.27Å; F214-E221 PolarHBondContact N-O 2.93Å; F214-E221 PolarHBondContact O-N 3.41Å; F214-T223 WeakPolarHBondContact CE2-OG1 3.18Å; F214-F238 HydrophobicContact CE1-CE2 4.47Å; F214-F238 HydrophobicContact CE1-CZ 4.02Å; F214-F238 HydrophobicContact CZ-CE2 4.14Å; F214-F238 HydrophobicContact CZ-CZ 4.16Å; F214-C249 HydrophobicContact CE2-CB 4.39Å; F214-C249 HydrophobicContact CZ-CB 4.08Å; F214-P252 HydrophobicContact CB-CB 4.39Å; F214-P252 HydrophobicContact CB-CG 3.96Å; F214-P252 HydrophobicContact CD1-CG 3.78Å; F214-P252 HydrophobicContact CD2-CG 4.13Å; F214-P252 HydrophobicContact CE1-CG 4.3Å; F214-P252 HydrophobicContact CG-CB 4.39Å; F214-P252 HydrophobicContact CG-CG 3.69Å; F214-L255 HydrophobicContact CB-CB 4.42Å; F214-L255 HydrophobicContact CB-CD1 3.79Å; F214-L255 WeakPolarHBondContact O-CD1 3.49Å; F214-S259 CarbonylContact C-O 3.58Å; F214-S259 VanDerWaalsContact CA-O 3.27Å; F214-S259 WeakPolarHBondContact CA-O 3.33Å; F214-R260 HydrophobicContact CD1-CB 3.9Å; F214-R260 HydrophobicContact CE1-CB 3.59Å; F214-R260 HydrophobicContact CE1-CG 4.06Å; F214-R260 HydrophobicContact CZ-CB 4.12Å; F214-R260 HydrophobicContact CZ-CG 4.06Å
215R97.6Very high96Very high131 Ų13151.4 Ų51.449%0.49427%0.266SS..EExtended strand (participates in β ladder)trans-147.4133.5-178.4-173.5175.4-71.7175.4-3.8112.3I219 S259 I261R215-I219 WeakPolarHBondContact CA-O 3.36Å; R215-S259 PolarHBondContact N-O 3.32Å; R215-S259 WeakPolarHBondContact O-CB 3.41Å; R215-I261 HydrophobicContact CB-CD1 4.5Å; R215-I261 HydrophobicContact CB-CG1 3.83Å
216S96.4Very high96.2Very high72 Ų7251.2 Ų51.250%0.50326%0.264SS..EExtended strand (participates in β ladder)trans-138.2116.7166-1750000109.2R218 I219S216-R218 PolarHBondContact O-N 3.2Å; S216-I219 PolarHBondContact N-O 3.42Å; S216-I219 PolarHBondContact O-N 3.02Å
217G94Very high96.3Very high71 Ų7148.8 Ų48.873%0.73225%0.252SS*.THydrogen-bonded Turntrans54.9-120.9-172.600000112.1
218R94.4Very high96Very high257 Ų25749.9 Ų49.997%0.9726%0.259SS*.THydrogen-bonded Turntrans-87.2-10.2-179.9-62.7-176.3-177.6174.31114.2S216S216-R218 PolarHBondContact O-N 3.2Å
219I96.9Very high95.6Very high83 Ų8350.5 Ų50.543%0.42626%0.262SS..EExtended strand (participates in β ladder)trans-90127.7-178.9-58.2172.1000108.1R215 S216 K254 L255R215-I219 WeakPolarHBondContact CA-O 3.36Å; S216-I219 PolarHBondContact N-O 3.42Å; S216-I219 PolarHBondContact O-N 3.02Å; I219-K254 HydrophobicContact CG2-CB 4.39Å; I219-L255 HydrophobicContact CB-CD2 4.17Å; I219-L255 HydrophobicContact CG2-CD1 4.14Å; I219-L255 HydrophobicContact CG2-CD2 3.94Å; I219-L255 HydrophobicContact CG2-CG 3.97Å
220S97.6Very high95Very high62 Ų6251.7 Ų51.743%0.43428%0.276SS..EExtended strand (participates in β ladder)trans-136.6138170.963.30000111.9F214F214-S220 CarbonylContact O-C 3.59Å; F214-S220 WeakPolarHBondContact O-CA 3.47Å; F214-S220 WeakPolarHBondContact O-CB 3.27Å
221E98.2Very high93.8Very high38 Ų3855.2 Ų55.218%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-131141.5176.6-68.9179.884.600108.8F214 P252 K253 K254 L255F214-E221 PolarHBondContact N-O 2.93Å; F214-E221 PolarHBondContact O-N 3.41Å; E221-P252 HydrophobicContact CB-CB 3.74Å; E221-P252 HydrophobicContact CG-CB 4.34Å; E221-K253 WeakPolarHBondContact OE1-CB 3.38Å; E221-K253 PolarHBondContact OE1-N 2.73Å; E221-K253 PolarHBondContact OE2-N 3.4Å; E221-K254 WeakPolarHBondContact OE2-CA 3.25Å; E221-K254 VanDerWaalsContact OE2-CB 3.28Å; E221-K254 WeakPolarHBondContact OE2-CB 3.4Å; E221-K254 PolarHBondContact OE2-N 3.45Å; E221-L255 HydrophobicContact CB-CD1 4.3Å; E221-L255 HydrophobicContact CG-CD1 4.39Å; E221-L255 PolarHBondContact OE2-N 3.31Å
222T98.3Very high93.1Very high72 Ų7258.2 Ų58.244%0.44233%0.333SS..EExtended strand (participates in β ladder)trans-111.5126172.9-630000108.3K211 S212 F264K211-T222 HydrophobicContact CB-CG2 3.83Å; K211-T222 HydrophobicContact CD-CG2 3.93Å; K211-T222 HydrophobicContact CG-CG2 4.2Å; S212-T222 WeakPolarHBondContact O-CA 3.25Å; T222-F264 HydrophobicContact CG2-CE1 4.22Å; T222-F264 HydrophobicContact CG2-CZ 3.7Å
223T97.4Very high92.5Very high19 Ų1962.5 Ų62.512%0.11736%0.355CS..EExtended strand (participates in β ladder)trans-123.7156.2177.663.60000111K211 S212 F214 F250 P252K211-T223 CarbonylContact C-O 3.38Å; K211-T223 VanDerWaalsContact CA-O 3.25Å; K211-T223 WeakPolarHBondContact CA-O 3.16Å; S212-T223 PolarHBondContact N-O 3.36Å; S212-T223 PolarHBondContact O-N 3.29Å; S212-T223 VanDerWaalsContact O-N 3.1Å; F214-T223 WeakPolarHBondContact CE2-OG1 3.18Å; T223-F250 WeakPolarHBondContact CB-O 3.33Å; T223-F250 WeakPolarHBondContact CG2-O 3.17Å; T223-F250 PolarHBondContact OG1-O 2.87Å; T223-P252 HydrophobicContact CG2-CB 4.03Å
224E97Very high92.3Very high61 Ų6165.4 Ų65.429%0.28538%0.375SS..EExtended strand (participates in β ladder)trans-71.9146177.3-164.8175116.700111Y209 F210 L229 C249 F250Y209-E224 HydrophobicContact CD2-CG 4.45Å; F210-E224 CarbonylContact O-C 3.53Å; F210-E224 WeakPolarHBondContact O-CA 3.17Å; F210-E224 VanDerWaalsContact O-CG 3.29Å; F210-E224 WeakPolarHBondContact O-CG 3.4Å; E224-L229 HydrophobicContact CG-CD2 4.46Å; E224-C249 CarbonylContact O-C 3.5Å; E224-C249 WeakPolarHBondContact O-CA 3.17Å; E224-F250 HydrophobicContact CB-CD2 3.81Å; E224-F250 HydrophobicContact CB-CE2 4.04Å; E224-F250 PolarHBondContact O-N 3.24Å
225C95.8Very high92.1Very high0 Ų068.1 Ų68.10%039%0.39CS..EExtended strand (participates in β ladder)trans-134.5148.8177.5-52.60000110.4F210 S212 W247 F248 C249F210-C225 CarbonylContact C-O 3.54Å; F210-C225 WeakPolarHBondContact CA-O 3.4Å; F210-C225 HydrophobicContact CB-CB 4.45Å; F210-C225 VanDerWaalsContact CB-O 3.31Å; F210-C225 WeakPolarHBondContact CB-O 3.37Å; F210-C225 PolarHBondContact N-O 3.15Å; F210-C225 PolarHBondContact O-N 3.12Å; S212-C225 WeakPolarHBondContact CB-SG 3.46Å; S212-C225 PolarHBondContact OG-SG 3.18Å; C225-W247 HydrophobicContact CB-CZ2 3.9Å; C225-F248 CarbonylContact C-O 3.58Å; C225-F248 WeakPolarHBondContact CA-O 3.47Å; C225-F248 VanDerWaalsContact CB-O 3.27Å; C225-F248 WeakPolarHBondContact CB-O 3.47Å; C225-C249 HydrophobicContact CB-CB 4.01Å; C225-C249 WeakPolarHBondContact CB-SG 3.37Å; C225-C249 WeakPolarHBondContact SG-CB 3.1Å; C225-C249 CovalentContact SG-SG 2.03Å; C225-C249 PolarHBondContact SG-SG 2.79Å
226N94.4Very high92Very high0 Ų062 Ų620%037%0.367CS..EExtended strand (participates in β ladder)trans-162.5175.2171.1-142.1-32.5000111.3D206 C228 L229 F248 F451D206-N226 WeakPolarHBondContact CB-ND2 3.28Å; N226-C228 WeakPolarHBondContact CB-O 3.46Å; N226-C228 PolarHBondContact O-N 2.79Å; N226-L229 HydrophobicContact CB-CD2 3.86Å; N226-L229 HydrophobicContact CB-CG 4.29Å; N226-F248 PolarHBondContact N-O 2.59Å; N226-F248 PolarHBondContact O-N 2.8Å; N226-F451 WeakPolarHBondContact OD1-CE1 3.48Å
227V91.3Very high91.9Very high8 Ų863.5 Ų63.55%0.04837%0.369CS..SBendtrans-57.4-33.7168.4178.70000110.3Y62 P246 W247 F248 P411 F451 V455Y62-V227 HydrophobicContact CE1-CB 4.34Å; Y62-V227 HydrophobicContact CE1-CG1 4.23Å; V227-P246 HydrophobicContact CG1-CG 4.04Å; V227-W247 HydrophobicContact CG2-CE3 4.23Å; V227-W247 HydrophobicContact CG2-CZ3 3.9Å; V227-F248 VanDerWaalsContact O-CD2 3.29Å; V227-F248 WeakPolarHBondContact O-CD2 3.24Å; V227-F248 WeakPolarHBondContact O-CE2 3.03Å; V227-P411 HydrophobicContact CG2-CB 4.45Å; V227-P411 HydrophobicContact CG2-CG 4.18Å; V227-F451 HydrophobicContact CB-CE1 4.03Å; V227-F451 HydrophobicContact CG2-CD1 4.18Å; V227-F451 HydrophobicContact CG2-CE1 3.61Å; V227-F451 HydrophobicContact CG2-CZ 3.94Å; V227-V455 HydrophobicContact CG1-CG1 4.37Å; V227-V455 HydrophobicContact CG1-CG2 4.39Å; V227-V455 HydrophobicContact CG2-CG1 4.48Å
228C87.4Confident92Very high24 Ų2462.6 Ų62.616%0.16235%0.346CS..  trans-144.7138.9173.5171.20000112.3Y62 C63 N226Y62-C228 HydrophobicContact CE1-CB 3.79Å; Y62-C228 HydrophobicContact CE2-CB 4.19Å; C63-C228 HydrophobicContact CB-CB 3.2Å; C63-C228 WeakPolarHBondContact CB-SG 3.38Å; C63-C228 WeakPolarHBondContact SG-CB 3.24Å; C63-C228 CovalentContact SG-SG 1.95Å; C63-C228 PolarHBondContact SG-SG 2.82Å; N226-C228 WeakPolarHBondContact CB-O 3.46Å; N226-C228 PolarHBondContact O-N 2.79Å
229L87.7Confident91.9Very high12 Ų1252.3 Ų52.36%0.06331%0.311CS..  trans-127.2152.1172.4-65.4174.2000110.1E224 N226 G231 L235 F248 F250E224-L229 HydrophobicContact CG-CD2 4.46Å; N226-L229 HydrophobicContact CB-CD2 3.86Å; N226-L229 HydrophobicContact CB-CG 4.29Å; L229-G231 PolarHBondContact O-N 3.25Å; L229-L235 HydrophobicContact CB-CD1 4.39Å; L229-L235 HydrophobicContact CB-CD2 4.03Å; L229-L235 HydrophobicContact CD1-CD2 4Å; L229-F248 HydrophobicContact CD1-CB 4.24Å; L229-F250 HydrophobicContact CB-CE1 4.12Å; L229-F250 HydrophobicContact CB-CZ 4.11Å; L229-F250 HydrophobicContact CD1-CD1 4.35Å; L229-F250 HydrophobicContact CD1-CD2 4.26Å; L229-F250 HydrophobicContact CD1-CE1 4.36Å; L229-F250 HydrophobicContact CD1-CE2 4.3Å; L229-F250 HydrophobicContact CD1-CG 4.27Å; L229-F250 HydrophobicContact CD1-CZ 4.35Å; L229-F250 HydrophobicContact CD2-CE2 4.05Å; L229-F250 HydrophobicContact CD2-CZ 4.13Å; L229-F250 HydrophobicContact CG-CZ 4.44Å
230P80.9Confident91.7Very high77 Ų7749.7 Ų49.750%0.530%0.298SS..  trans-51.7130.4171.9-27.334.8000112.5N232P230-N232 VanDerWaalsContact CB-OD1 3.28Å; P230-N232 WeakPolarHBondContact CB-OD1 3.37Å; P230-N232 PolarHBondContact O-N 3.2Å
231G72.1Confident91.5Very high75 Ų7554.7 Ų54.777%0.77332%0.319SS*.THydrogen-bonded Turntrans-78.23.6-175.800000115.6L229 L233L229-G231 PolarHBondContact O-N 3.25Å; G231-L233 VanDerWaalsContact C-N 3.29Å; G231-L233 PolarHBondContact O-N 3.43Å
232N82.1Confident91.1Very high131 Ų13162.2 Ų62.270%0.70135%0.347SS*.THydrogen-bonded Turntrans-78.8-10.7-179.761.9-21.7000113.6P230P230-N232 VanDerWaalsContact CB-OD1 3.28Å; P230-N232 WeakPolarHBondContact CB-OD1 3.37Å; P230-N232 PolarHBondContact O-N 3.2Å
233L87.3Confident90.7Very high89 Ų8959.5 Ų59.547%0.46633%0.331SS..SBendtrans-117.9150.9-180-65.1176.2000110.9G231 L235 F250G231-L233 VanDerWaalsContact C-N 3.29Å; G231-L233 PolarHBondContact O-N 3.43Å; L233-L235 WeakPolarHBondContact O-CG 3.11Å; L233-L235 PolarHBondContact O-N 2.81Å; L233-F250 HydrophobicContact CB-CD1 3.74Å; L233-F250 HydrophobicContact CB-CE1 3.78Å; L233-F250 HydrophobicContact CD1-CD1 3.94Å; L233-F250 HydrophobicContact CD1-CE1 3.67Å; L233-F250 HydrophobicContact CD1-CZ 4.11Å; L233-F250 HydrophobicContact CG-CD1 4.49Å; L233-F250 HydrophobicContact CG-CE1 4.26Å
234P93.2Very high90.4Very high91 Ų9159.8 Ų59.859%0.59134%0.337SS*.  trans-58.7130.2174.6-23.633.9000111.8K251P234-K251 HydrophobicContact CB-CB 4.04Å; P234-K251 HydrophobicContact CB-CD 4.28Å; P234-K251 WeakPolarHBondContact O-CB 3.21Å; P234-K251 PolarHBondContact O-N 2.86Å
235L94.8Very high90.2Very high57 Ų5757 Ų5730%0.29832%0.324SS..EExtended strand (participates in β ladder)trans-114.9148.3-177.7-59-179000112.1L229 L233 C249 F250L229-L235 HydrophobicContact CB-CD1 4.39Å; L229-L235 HydrophobicContact CB-CD2 4.03Å; L229-L235 HydrophobicContact CD1-CD2 4Å; L233-L235 WeakPolarHBondContact O-CG 3.11Å; L233-L235 PolarHBondContact O-N 2.81Å; L235-C249 CarbonylContact C-O 3.46Å; L235-C249 WeakPolarHBondContact CA-O 2.97Å; L235-F250 HydrophobicContact CD2-CD1 3.38Å; L235-F250 HydrophobicContact CD2-CE1 3.74Å; L235-F250 HydrophobicContact CD2-CG 4.29Å
236C95.8Very high90Very high2 Ų258 Ų581%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-90.7123.1159.1-63.30000108.9F238 F248 C249 C257C236-F238 HydrophobicContact CB-CD2 4.2Å; C236-F238 HydrophobicContact CB-CE1 4.49Å; C236-F238 HydrophobicContact CB-CE2 3.39Å; C236-F238 HydrophobicContact CB-CZ 3.57Å; C236-F248 WeakPolarHBondContact O-CA 3.38Å; C236-C249 HydrophobicContact CB-CB 4.48Å; C236-C249 PolarHBondContact N-O 3.5Å; C236-C249 PolarHBondContact O-N 3.48Å; C236-C249 VanDerWaalsContact O-N 3.07Å; C236-C257 WeakPolarHBondContact CA-SG 2.98Å; C236-C257 HydrophobicContact CB-CB 3.62Å; C236-C257 WeakPolarHBondContact CB-SG 3.31Å; C236-C257 WeakPolarHBondContact SG-CA 3.36Å; C236-C257 WeakPolarHBondContact SG-CB 3.4Å; C236-C257 CovalentContact SG-SG 2.02Å; C236-C257 PolarHBondContact SG-SG 3.28Å
237N93.9Very high90Very high105 Ų10558 Ų5856%0.56133%0.33SS*.EExtended strand (participates in β ladder)trans-94.5115176.6-173.4-5.9000110T239 F248N237-T239 WeakPolarHBondContact OD1-CB 3.45Å; N237-T239 PolarHBondContact OD1-N 3.4Å; N237-T239 PolarHBondContact OD1-OG1 2.81Å; N237-F248 HydrophobicContact CB-CD1 4.13Å; N237-F248 HydrophobicContact CB-CE1 4.08Å; N237-F248 VanDerWaalsContact CG-CE1 3.48Å; N237-F248 WeakPolarHBondContact OD1-CE1 3.42Å
238F94.9Very high90.1Very high52 Ų5259.8 Ų59.823%0.22834%0.338CS..  trans-115.428.4175.7-57-68.7000111.4F214 C236 D240 W247 C249 C257 R260F214-F238 HydrophobicContact CE1-CE2 4.47Å; F214-F238 HydrophobicContact CE1-CZ 4.02Å; F214-F238 HydrophobicContact CZ-CE2 4.14Å; F214-F238 HydrophobicContact CZ-CZ 4.16Å; C236-F238 HydrophobicContact CB-CD2 4.2Å; C236-F238 HydrophobicContact CB-CE1 4.49Å; C236-F238 HydrophobicContact CB-CE2 3.39Å; C236-F238 HydrophobicContact CB-CZ 3.57Å; F238-D240 PolarHBondContact O-N 2.88Å; F238-W247 CarbonylContact C-O 3.55Å; F238-W247 WeakPolarHBondContact CA-O 3.44Å; F238-W247 HydrophobicContact CB-CB 4.38Å; F238-W247 WeakPolarHBondContact CB-O 3.43Å; F238-W247 PolarHBondContact N-O 3.49Å; F238-C249 HydrophobicContact CD2-CB 4.49Å; F238-C249 HydrophobicContact CE2-CB 4Å; F238-C257 HydrophobicContact CE1-CB 4.48Å; F238-C257 HydrophobicContact CZ-CB 4.19Å; F238-C257 WeakPolarHBondContact CZ-O 3.23Å; F238-R260 HydrophobicContact CE1-CB 4.4Å; F238-R260 VanDerWaalsContact CG-NH1 3.34Å; F238-R260 HydrophobicContact CZ-CB 4.03Å; F238-R260 HydrophobicContact CZ-CG 4.29Å
239T92.9Very high90.6Very high41 Ų4158.7 Ų58.725%0.25233%0.33SS..  trans-55.7131.4173.8-61.60000109.5N237 L241 G244 E245N237-T239 WeakPolarHBondContact OD1-CB 3.45Å; N237-T239 PolarHBondContact OD1-N 3.4Å; N237-T239 PolarHBondContact OD1-OG1 2.81Å; T239-L241 PolarHBondContact O-N 3.32Å; T239-G244 WeakPolarHBondContact CG2-O 3.43Å; T239-E245 CarbonylContact C-O 3.58Å; T239-E245 VanDerWaalsContact CA-O 3.26Å; T239-E245 WeakPolarHBondContact CA-O 3.36Å
240D93.9Very high91Very high28 Ų2860 Ų6015%0.1534%0.335CS..  trans-63.3129.8178.6-169.675.6000111.2F238 Y242 T243 G244 E245 Y424 N427F238-D240 PolarHBondContact O-N 2.88Å; D240-Y242 VanDerWaalsContact C-N 3.3Å; D240-Y242 PolarHBondContact O-N 3.01Å; D240-Y242 WeakPolarHBondContact OD2-CA 3.35Å; D240-Y242 WeakPolarHBondContact OD2-CB 3.26Å; D240-Y242 PolarHBondContact OD2-N 3.07Å; D240-T243 WeakPolarHBondContact CB-OG1 3.34Å; D240-T243 PolarHBondContact OD2-N 3.2Å; D240-T243 PolarHBondContact OD2-OG1 2.78Å; D240-G244 WeakPolarHBondContact O-CA 3.13Å; D240-G244 PolarHBondContact O-N 3.38Å; D240-E245 HydrophobicContact CB-CB 4Å; D240-E245 PolarHBondContact N-O 3.05Å; D240-Y424 HydrophobicContact CB-CD2 3.69Å; D240-Y424 HydrophobicContact CB-CE2 3.58Å; D240-Y424 WeakPolarHBondContact OD1-CD2 3.42Å; D240-N427 VanDerWaalsContact CG-ND2 3.26Å; D240-N427 PolarHBondContact OD1-ND2 2.95Å; D240-N427 PolarHBondContact OD2-ND2 2.86Å; D240-N427 VanDerWaalsContact OD2-ND2 3.14Å
241L91.9Very high91.8Very high167 Ų16761.6 Ų61.687%0.87433%0.334SS*.THydrogen-bonded Turntrans-72.8-22-176.2-61.5178.3000113.3T239T239-L241 PolarHBondContact O-N 3.32Å
242Y89.6Confident93Very high196 Ų19658.2 Ų58.277%0.76930%0.299SS*.THydrogen-bonded Turntrans-95.2-42.3-176.4-62.9-77.6000112.4D240D240-Y242 VanDerWaalsContact C-N 3.3Å; D240-Y242 PolarHBondContact O-N 3.01Å; D240-Y242 WeakPolarHBondContact OD2-CA 3.35Å; D240-Y242 WeakPolarHBondContact OD2-CB 3.26Å; D240-Y242 PolarHBondContact OD2-N 3.07Å
243T90.6Very high93.7Very high15 Ų1561.5 Ų61.59%0.09231%0.307CS..THydrogen-bonded Turntrans-102.4-8.5-176.458.70000112.7D240 E245 A426 N427 N462D240-T243 WeakPolarHBondContact CB-OG1 3.34Å; D240-T243 PolarHBondContact OD2-N 3.2Å; D240-T243 PolarHBondContact OD2-OG1 2.78Å; T243-E245 PolarHBondContact O-N 2.81Å; T243-E245 WeakPolarHBondContact OG1-CG 3.43Å; T243-A426 HydrophobicContact CG2-CB 3.69Å; T243-N427 VanDerWaalsContact CG2-OD1 3.26Å; T243-N427 WeakPolarHBondContact CG2-OD1 3.36Å; T243-N462 HydrophobicContact CG2-CB 4.41Å; T243-N462 PolarHBondContact O-ND2 3.11Å
244G91.3Very high94.1Very high24 Ų2465.1 Ų65.125%0.24732%0.319CS..  trans65.417.8-173.500000112.9T239 D240 P246 R458T239-G244 WeakPolarHBondContact CG2-O 3.43Å; D240-G244 WeakPolarHBondContact O-CA 3.13Å; D240-G244 PolarHBondContact O-N 3.38Å; G244-P246 WeakPolarHBondContact O-CD 3.24Å; G244-R458 PolarHBondContact O-NH2 2.78Å
245E92Very high94.4Very high4 Ų461.3 Ų61.32%0.01929%0.293CS..  trans-69.3117-171.8-73.1-79.6178.700110.2T239 D240 T243 Y424 R459 N462T239-E245 CarbonylContact C-O 3.58Å; T239-E245 VanDerWaalsContact CA-O 3.26Å; T239-E245 WeakPolarHBondContact CA-O 3.36Å; D240-E245 HydrophobicContact CB-CB 4Å; D240-E245 PolarHBondContact N-O 3.05Å; T243-E245 PolarHBondContact O-N 2.81Å; T243-E245 WeakPolarHBondContact OG1-CG 3.43Å; E245-Y424 HydrophobicContact CB-CD1 4.35Å; E245-Y424 HydrophobicContact CB-CD2 4.3Å; E245-Y424 HydrophobicContact CB-CE1 3.9Å; E245-Y424 HydrophobicContact CB-CE2 3.89Å; E245-Y424 HydrophobicContact CB-CG 4.49Å; E245-Y424 HydrophobicContact CG-CD1 4.4Å; E245-Y424 HydrophobicContact CG-CE1 4.36Å; E245-R459 VanDerWaalsContact CD-NH2 3.28Å; E245-R459 WeakPolarHBondContact OE1-CA 3.44Å; E245-R459 IonicContact OE1-CZ 2.74Å; E245-R459 IonicContact OE1-NH1 3.49Å; E245-R459 PolarHBondContact OE1-NH1 3.36Å; E245-R459 IonicContact OE1-NH2 3.06Å; E245-R459 IonicContact OE2-CZ 3.7Å; E245-R459 IonicContact OE2-NE 3.27Å; E245-R459 IonicContact OE2-NH1 3.14Å; E245-R459 PolarHBondContact OE2-NH1 2.89Å; E245-R459 IonicContact OE2-NH2 3.33Å; E245-R459 PolarHBondContact OE2-NH2 2.86Å; E245-N462 PolarHBondContact OE1-ND2 3.37Å
246P92.1Very high94.5Very high19 Ų1961.8 Ų61.812%0.12330%0.3CS..  trans-72.8133.8-171.326.6-32.3000111.4V227 G244 F248V227-P246 HydrophobicContact CG1-CG 4.04Å; G244-P246 WeakPolarHBondContact O-CD 3.24Å; P246-F248 HydrophobicContact CB-CE2 3.69Å; P246-F248 HydrophobicContact CB-CZ 4.25Å
247W94.3Very high94.5Very high1 Ų163.3 Ų63.30%0.00431%0.31CS..  trans-152123.7170-164.8-104.4000110.4F210 C225 V227 F238 R260 H263 P410 P411F210-W247 HydrophobicContact CB-CH2 4.08Å; F210-W247 HydrophobicContact CB-CZ2 4Å; F210-W247 HydrophobicContact CD1-CH2 4.44Å; F210-W247 AromaticContact CD2-CH2 3.76Å; F210-W247 HydrophobicContact CD2-CH2 3.76Å; F210-W247 HydrophobicContact CE2-CH2 4.35Å; F210-W247 AromaticContact CG-CH2 3.83Å; F210-W247 HydrophobicContact CG-CH2 3.83Å; F210-W247 HydrophobicContact CG-CZ2 4.23Å; C225-W247 HydrophobicContact CB-CZ2 3.9Å; V227-W247 HydrophobicContact CG2-CE3 4.23Å; V227-W247 HydrophobicContact CG2-CZ3 3.9Å; F238-W247 CarbonylContact C-O 3.55Å; F238-W247 WeakPolarHBondContact CA-O 3.44Å; F238-W247 HydrophobicContact CB-CB 4.38Å; F238-W247 WeakPolarHBondContact CB-O 3.43Å; F238-W247 PolarHBondContact N-O 3.49Å; W247-R260 VanDerWaalsContact NE1-NH2 3.17Å; W247-H263 AromaticContact CE2-ND1 3.94Å; W247-H263 AromaticContact CH2-CE1 3.74Å; W247-H263 AromaticContact CZ2-CE1 3.3Å; W247-H263 WeakPolarHBondContact CZ2-CE1 3.39Å; W247-H263 AromaticContact CZ2-ND1 3.35Å; W247-H263 VanDerWaalsContact CZ2-ND1 3.35Å; W247-H263 WeakPolarHBondContact CZ2-ND1 3.49Å; W247-P410 HydrophobicContact CD2-CB 3.3Å; W247-P410 HydrophobicContact CD2-CG 3.94Å; W247-P410 HydrophobicContact CE3-CB 3.27Å; W247-P410 HydrophobicContact CE3-CG 4.37Å; W247-P410 HydrophobicContact CG-CB 4.03Å; W247-P410 HydrophobicContact CG-CG 4.25Å; W247-P410 HydrophobicContact CH2-CB 3.65Å; W247-P410 HydrophobicContact CZ2-CB 3.7Å; W247-P410 HydrophobicContact CZ2-CG 4.34Å; W247-P410 HydrophobicContact CZ3-CB 3.44Å; W247-P410 VanDerWaalsContact CZ3-CB 3.44Å; W247-P411 HydrophobicContact CH2-CB 4.23Å; W247-P411 HydrophobicContact CZ3-CB 3.9Å
248F94.6Very high94.7Very high46 Ų4663.5 Ų63.520%0.20232%0.32CS..EExtended strand (participates in β ladder)trans-128150.6-175.5-54.2-84000110.7C225 N226 V227 L229 C236 N237 P246C225-F248 CarbonylContact C-O 3.58Å; C225-F248 WeakPolarHBondContact CA-O 3.47Å; C225-F248 VanDerWaalsContact CB-O 3.27Å; C225-F248 WeakPolarHBondContact CB-O 3.47Å; N226-F248 PolarHBondContact N-O 2.59Å; N226-F248 PolarHBondContact O-N 2.8Å; V227-F248 VanDerWaalsContact O-CD2 3.29Å; V227-F248 WeakPolarHBondContact O-CD2 3.24Å; V227-F248 WeakPolarHBondContact O-CE2 3.03Å; L229-F248 HydrophobicContact CD1-CB 4.24Å; C236-F248 WeakPolarHBondContact O-CA 3.38Å; N237-F248 HydrophobicContact CB-CD1 4.13Å; N237-F248 HydrophobicContact CB-CE1 4.08Å; N237-F248 VanDerWaalsContact CG-CE1 3.48Å; N237-F248 WeakPolarHBondContact OD1-CE1 3.42Å; P246-F248 HydrophobicContact CB-CE2 3.69Å; P246-F248 HydrophobicContact CB-CZ 4.25Å
249C96.6Very high94.8Very high0 Ų061.6 Ų61.60%031%0.313CS..EExtended strand (participates in β ladder)trans-131.9150168.3-58.60000109.8F214 E224 C225 L235 C236 F238 K251F214-C249 HydrophobicContact CE2-CB 4.39Å; F214-C249 HydrophobicContact CZ-CB 4.08Å; E224-C249 CarbonylContact O-C 3.5Å; E224-C249 WeakPolarHBondContact O-CA 3.17Å; C225-C249 HydrophobicContact CB-CB 4.01Å; C225-C249 WeakPolarHBondContact CB-SG 3.37Å; C225-C249 WeakPolarHBondContact SG-CB 3.1Å; C225-C249 CovalentContact SG-SG 2.03Å; C225-C249 PolarHBondContact SG-SG 2.79Å; L235-C249 CarbonylContact C-O 3.46Å; L235-C249 WeakPolarHBondContact CA-O 2.97Å; C236-C249 HydrophobicContact CB-CB 4.48Å; C236-C249 PolarHBondContact N-O 3.5Å; C236-C249 PolarHBondContact O-N 3.48Å; C236-C249 VanDerWaalsContact O-N 3.07Å; F238-C249 HydrophobicContact CD2-CB 4.49Å; F238-C249 HydrophobicContact CE2-CB 4Å; C249-K251 PolarHBondContact O-N 2.77Å
250F97.1Very high95Very high39 Ų3961.3 Ų61.317%0.17131%0.307CS..EExtended strand (participates in β ladder)trans-61138.4166.1-66.7-60000109.9T223 E224 L229 L233 L235T223-F250 WeakPolarHBondContact CB-O 3.33Å; T223-F250 WeakPolarHBondContact CG2-O 3.17Å; T223-F250 PolarHBondContact OG1-O 2.87Å; E224-F250 HydrophobicContact CB-CD2 3.81Å; E224-F250 HydrophobicContact CB-CE2 4.04Å; E224-F250 PolarHBondContact O-N 3.24Å; L229-F250 HydrophobicContact CB-CE1 4.12Å; L229-F250 HydrophobicContact CB-CZ 4.11Å; L229-F250 HydrophobicContact CD1-CD1 4.35Å; L229-F250 HydrophobicContact CD1-CD2 4.26Å; L229-F250 HydrophobicContact CD1-CE1 4.36Å; L229-F250 HydrophobicContact CD1-CE2 4.3Å; L229-F250 HydrophobicContact CD1-CG 4.27Å; L229-F250 HydrophobicContact CD1-CZ 4.35Å; L229-F250 HydrophobicContact CD2-CE2 4.05Å; L229-F250 HydrophobicContact CD2-CZ 4.13Å; L229-F250 HydrophobicContact CG-CZ 4.44Å; L233-F250 HydrophobicContact CB-CD1 3.74Å; L233-F250 HydrophobicContact CB-CE1 3.78Å; L233-F250 HydrophobicContact CD1-CD1 3.94Å; L233-F250 HydrophobicContact CD1-CE1 3.67Å; L233-F250 HydrophobicContact CD1-CZ 4.11Å; L233-F250 HydrophobicContact CG-CD1 4.49Å; L233-F250 HydrophobicContact CG-CE1 4.26Å; L235-F250 HydrophobicContact CD2-CD1 3.38Å; L235-F250 HydrophobicContact CD2-CE1 3.74Å; L235-F250 HydrophobicContact CD2-CG 4.29Å
251K96.9Very high95.2Very high111 Ų11163.1 Ų63.148%0.48332%0.316SS..PPolyproline II helixtrans-68.4126.7178.3-174.6177.3176.5176.70109.6P234 C249P234-K251 HydrophobicContact CB-CB 4.04Å; P234-K251 HydrophobicContact CB-CD 4.28Å; P234-K251 WeakPolarHBondContact O-CB 3.21Å; P234-K251 PolarHBondContact O-N 2.86Å; C249-K251 PolarHBondContact O-N 2.77Å
252P97.4Very high95.4Very high4 Ų455.7 Ų55.73%0.02628%0.277CS..PPolyproline II helixtrans-62.6151.3173.525.5-32.5000110.8F214 E221 T223 L255F214-P252 HydrophobicContact CB-CB 4.39Å; F214-P252 HydrophobicContact CB-CG 3.96Å; F214-P252 HydrophobicContact CD1-CG 3.78Å; F214-P252 HydrophobicContact CD2-CG 4.13Å; F214-P252 HydrophobicContact CE1-CG 4.3Å; F214-P252 HydrophobicContact CG-CB 4.39Å; F214-P252 HydrophobicContact CG-CG 3.69Å; E221-P252 HydrophobicContact CB-CB 3.74Å; E221-P252 HydrophobicContact CG-CB 4.34Å; T223-P252 HydrophobicContact CG2-CB 4.03Å; P252-L255 HydrophobicContact CB-CB 4.05Å; P252-L255 HydrophobicContact CG-CB 3.73Å; P252-L255 WeakPolarHBondContact CG-O 3.47Å
253K96.4Very high95.7Very high200 Ų20046.3 Ų46.387%0.8724%0.241SC*.SBendtrans-71.4-35.8-170.4-66.2-177178.6-178.60112.3E221E221-K253 WeakPolarHBondContact OE1-CB 3.38Å; E221-K253 PolarHBondContact OE1-N 2.73Å; E221-K253 PolarHBondContact OE2-N 3.4Å
254K96.7Very high96Very high166 Ų16647.9 Ų47.972%0.72225%0.246SC*.SBendtrans-112.1-9-172.7-54.9-178.8180-179.20113.3I219 E221I219-K254 HydrophobicContact CG2-CB 4.39Å; E221-K254 WeakPolarHBondContact OE2-CA 3.25Å; E221-K254 VanDerWaalsContact OE2-CB 3.28Å; E221-K254 WeakPolarHBondContact OE2-CB 3.4Å; E221-K254 PolarHBondContact OE2-N 3.45Å
255L98Very high96.2Very high10 Ų1049.9 Ų49.95%0.05225%0.248CC..SBendtrans-117.2150.2-172.4-67.6176.6000112.4F214 I219 E221 P252 S259F214-L255 HydrophobicContact CB-CB 4.42Å; F214-L255 HydrophobicContact CB-CD1 3.79Å; F214-L255 WeakPolarHBondContact O-CD1 3.49Å; I219-L255 HydrophobicContact CB-CD2 4.17Å; I219-L255 HydrophobicContact CG2-CD1 4.14Å; I219-L255 HydrophobicContact CG2-CD2 3.94Å; I219-L255 HydrophobicContact CG2-CG 3.97Å; E221-L255 HydrophobicContact CB-CD1 4.3Å; E221-L255 HydrophobicContact CG-CD1 4.39Å; E221-L255 PolarHBondContact OE2-N 3.31Å; P252-L255 HydrophobicContact CB-CB 4.05Å; P252-L255 HydrophobicContact CG-CB 3.73Å; P252-L255 WeakPolarHBondContact CG-O 3.47Å; L255-S259 WeakPolarHBondContact CB-OG 3.33Å
256P97.4Very high96.3Very high67 Ų6750.8 Ų50.844%0.43526%0.258SS..  trans-78157.8171.332.8-34.7000111.1S258 S259P256-S258 PolarHBondContact O-N 3.06Å; P256-S259 WeakPolarHBondContact O-CB 3.43Å; P256-S259 PolarHBondContact O-N 3.13Å; P256-S259 PolarHBondContact O-OG 2.97Å
257C97.3Very high96.5Very high34 Ų3450.5 Ų50.523%0.2326%0.259CS..G310 helixtrans-60.1-28.5177.6-62.60000113.6C236 F238 S259 R260C236-C257 WeakPolarHBondContact CA-SG 2.98Å; C236-C257 HydrophobicContact CB-CB 3.62Å; C236-C257 WeakPolarHBondContact CB-SG 3.31Å; C236-C257 WeakPolarHBondContact SG-CA 3.36Å; C236-C257 WeakPolarHBondContact SG-CB 3.4Å; C236-C257 CovalentContact SG-SG 2.02Å; C236-C257 PolarHBondContact SG-SG 3.28Å; F238-C257 HydrophobicContact CE1-CB 4.48Å; F238-C257 HydrophobicContact CZ-CB 4.19Å; F238-C257 WeakPolarHBondContact CZ-O 3.23Å; C257-S259 PolarHBondContact O-N 3.34Å; C257-R260 PolarHBondContact O-N 3.4Å
258S96.6Very high96.5Very high109 Ų10953.5 Ų53.576%0.76227%0.271SS*.G310 helixtrans-65.3-15.9176.753.40000113.7P256 R260P256-S258 PolarHBondContact O-N 3.06Å; S258-R260 PolarHBondContact O-N 3.36Å
259S97.6Very high96.6Very high12 Ų1254.4 Ų54.48%0.08428%0.277CS..G310 helixtrans-82.99.9178.9700000113.9F214 R215 L255 P256 C257 I261F214-S259 CarbonylContact C-O 3.58Å; F214-S259 VanDerWaalsContact CA-O 3.27Å; F214-S259 WeakPolarHBondContact CA-O 3.33Å; R215-S259 PolarHBondContact N-O 3.32Å; R215-S259 WeakPolarHBondContact O-CB 3.41Å; L255-S259 WeakPolarHBondContact CB-OG 3.33Å; P256-S259 WeakPolarHBondContact O-CB 3.43Å; P256-S259 PolarHBondContact O-N 3.13Å; P256-S259 PolarHBondContact O-OG 2.97Å; C257-S259 PolarHBondContact O-N 3.34Å; S259-I261 WeakPolarHBondContact O-CG1 3.46Å; S259-I261 PolarHBondContact O-N 2.59Å
260R97.7Very high96.4Very high35 Ų3561.4 Ų61.413%0.13231%0.308CS..BIsolated β-bridgetrans-64.6125.4177.8-170.4-171.9172.7-167.9-4.7110.4S212 F214 F238 W247 C257 S258 S419S212-R260 PolarHBondContact OG-NE 3.39Å; S212-R260 VanDerWaalsContact OG-NE 3.15Å; F214-R260 HydrophobicContact CD1-CB 3.9Å; F214-R260 HydrophobicContact CE1-CB 3.59Å; F214-R260 HydrophobicContact CE1-CG 4.06Å; F214-R260 HydrophobicContact CZ-CB 4.12Å; F214-R260 HydrophobicContact CZ-CG 4.06Å; F238-R260 HydrophobicContact CE1-CB 4.4Å; F238-R260 VanDerWaalsContact CG-NH1 3.34Å; F238-R260 HydrophobicContact CZ-CB 4.03Å; F238-R260 HydrophobicContact CZ-CG 4.29Å; W247-R260 VanDerWaalsContact NE1-NH2 3.17Å; C257-R260 PolarHBondContact O-N 3.4Å; S258-R260 PolarHBondContact O-N 3.36Å; R260-S419 WeakPolarHBondContact CG-OG 3.39Å; R260-S419 PolarHBondContact NE-OG 3.44Å
261I96.4Very high96.2Very high67 Ų6763.4 Ų63.434%0.34434%0.339SS..  trans-108.1-43-177.9-53.9-57.1000111.6L213 R215 S259 F418 S419L213-I261 PolarHBondContact O-N 3.39Å; R215-I261 HydrophobicContact CB-CD1 4.5Å; R215-I261 HydrophobicContact CB-CG1 3.83Å; S259-I261 WeakPolarHBondContact O-CG1 3.46Å; S259-I261 PolarHBondContact O-N 2.59Å; I261-F418 HydrophobicContact CG2-CD1 4.32Å; I261-F418 HydrophobicContact CG2-CE1 4.48Å; I261-S419 PolarHBondContact O-N 3.13Å; I261-S419 PolarHBondContact O-OG 2.94Å
262T96.3Very high96.2Very high10 Ų1059.2 Ų59.26%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-135.5171.3-170.568.90000113S212 L213 T416 V417 F418 S419S212-T262 VanDerWaalsContact CA-O 3.28Å; S212-T262 WeakPolarHBondContact CA-O 3.28Å; S212-T262 WeakPolarHBondContact CB-O 3.38Å; S212-T262 PolarHBondContact OG-O 2.7Å; L213-T262 VanDerWaalsContact CB-OG1 3.27Å; L213-T262 WeakPolarHBondContact CB-OG1 3.21Å; L213-T262 PolarHBondContact N-OG1 3Å; L213-T262 PolarHBondContact O-N 3.22Å; T262-T416 HydrophobicContact CG2-CG2 3.74Å; T262-V417 CarbonylContact C-O 3.54Å; T262-V417 VanDerWaalsContact CA-O 3.25Å; T262-V417 WeakPolarHBondContact CA-O 3.41Å; T262-V417 WeakPolarHBondContact CB-O 3.23Å; T262-F418 HydrophobicContact CG2-CD1 4.16Å; T262-F418 HydrophobicContact CG2-CE1 4.39Å; T262-S419 PolarHBondContact N-OG 2.89Å; T262-S419 PolarHBondContact O-OG 3.34Å
263H96.6Very high96.1Very high0 Ų060.8 Ų60.80%033%0.33CS..EExtended strand (participates in β ladder)trans-132.9141.8165.116591.5000108.7F210 K211 W247 I412 V417 L422F210-H263 AromaticContact CD1-CE1 3.46Å; F210-H263 VanDerWaalsContact CD1-CE1 3.46Å; F210-H263 WeakPolarHBondContact CD1-CE1 3.22Å; F210-H263 AromaticContact CD1-NE2 3.67Å; F210-H263 AromaticContact CG-CE1 3.8Å; K211-H263 CarbonylContact O-C 3.52Å; K211-H263 WeakPolarHBondContact O-CA 3.33Å; W247-H263 AromaticContact CE2-ND1 3.94Å; W247-H263 AromaticContact CH2-CE1 3.74Å; W247-H263 AromaticContact CZ2-CE1 3.3Å; W247-H263 WeakPolarHBondContact CZ2-CE1 3.39Å; W247-H263 AromaticContact CZ2-ND1 3.35Å; W247-H263 VanDerWaalsContact CZ2-ND1 3.35Å; W247-H263 WeakPolarHBondContact CZ2-ND1 3.49Å; H263-I412 WeakPolarHBondContact CD2-CG2 3.45Å; H263-I412 VanDerWaalsContact NE2-CG2 3.28Å; H263-I412 WeakPolarHBondContact NE2-CG2 3.47Å; H263-I412 PolarHBondContact NE2-O 3.32Å; H263-V417 PolarHBondContact N-O 3.03Å; H263-V417 PolarHBondContact O-N 3.19Å; H263-L422 HydrophobicContact CB-CD1 3.37Å; H263-L422 HydrophobicContact CB-CD2 4.03Å; H263-L422 HydrophobicContact CB-CG 4.22Å
264F96.8Very high96Very high47 Ų4754.8 Ų54.821%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-153.6155.3172.556.5-83.5000113F210 K211 T222 G266 T415F210-F264 CarbonylContact C-O 3.51Å; F210-F264 WeakPolarHBondContact CA-O 3.32Å; K211-F264 HydrophobicContact CB-CD1 4.39Å; K211-F264 HydrophobicContact CB-CD2 4.11Å; K211-F264 HydrophobicContact CB-CE1 3.92Å; K211-F264 HydrophobicContact CB-CE2 3.61Å; K211-F264 HydrophobicContact CB-CG 4.47Å; K211-F264 HydrophobicContact CB-CZ 3.51Å; K211-F264 HydrophobicContact CD-CE2 4.14Å; K211-F264 HydrophobicContact CD-CZ 4.35Å; K211-F264 HydrophobicContact CG-CE2 4.44Å; K211-F264 PolarHBondContact N-O 3.26Å; K211-F264 WeakPolarHBondContact O-CD1 3.42Å; K211-F264 PolarHBondContact O-N 2.77Å; T222-F264 HydrophobicContact CG2-CE1 4.22Å; T222-F264 HydrophobicContact CG2-CZ 3.7Å; F264-G266 PolarHBondContact O-N 3.45Å; F264-T415 WeakPolarHBondContact CA-O 3.46Å; F264-T415 WeakPolarHBondContact CB-O 3.14Å
265K96.4Very high95.8Very high67 Ų6751.5 Ų51.529%0.29131%0.314SS..EExtended strand (participates in β ladder)trans-64.2118.3168.1-176.4-175.171.9-167.50109.3V208 F210 Y268 R413 F414V208-K265 HydrophobicContact CG1-CD 4.27Å; V208-K265 HydrophobicContact CG1-CG 4.09Å; F210-K265 HydrophobicContact CD1-CB 4.49Å; K265-Y268 HydrophobicContact CD-CE1 4.45Å; K265-Y268 HydrophobicContact CD-CE2 3.97Å; K265-Y268 PolarHBondContact NZ-OH 3.45Å; K265-R413 HydrophobicContact CD-CB 4.15Å; K265-F414 WeakPolarHBondContact CB-O 3.28Å; K265-F414 PolarHBondContact N-O 3.42Å; K265-F414 VanDerWaalsContact N-O 3.1Å
266G94.3Very high95.6Very high22 Ų2254.3 Ų54.323%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-75.6-34.7178.600000112.5Y209 F264Y209-G266 VanDerWaalsContact CZ-C 3.47Å; Y209-G266 WeakPolarHBondContact O-CA 2.91Å; Y209-G266 PolarHBondContact O-N 3.39Å; Y209-G266 PolarHBondContact OH-O 3.13Å; F264-G266 PolarHBondContact O-N 3.45Å
267G94.9Very high95.5Very high14 Ų1452.5 Ų52.514%0.14433%0.325CS..EExtended strand (participates in β ladder)trans156.9-166.7174.600000113.5Y209Y209-G267 PolarHBondContact N-O 3.36Å; Y209-G267 PolarHBondContact O-N 2.95Å
268Y95.3Very high95.5Very high64 Ų6453.4 Ų53.425%0.25133%0.331SS..EExtended strand (participates in β ladder)trans-116.7130.1175.2-61.7-78.7000108.7R207 V208 K265 F496R207-Y268 WeakPolarHBondContact O-CA 3.14Å; V208-Y268 HydrophobicContact CG1-CD1 4.46Å; V208-Y268 HydrophobicContact CG1-CE1 4.22Å; V208-Y268 HydrophobicContact CG2-CD1 3.75Å; V208-Y268 HydrophobicContact CG2-CE1 3.74Å; K265-Y268 HydrophobicContact CD-CE1 4.45Å; K265-Y268 HydrophobicContact CD-CE2 3.97Å; K265-Y268 PolarHBondContact NZ-OH 3.45Å; Y268-F496 HydrophobicContact CD1-CB 4.31Å; Y268-F496 AromaticContact CD1-CD1 3.46Å; Y268-F496 HydrophobicContact CD1-CD1 3.46Å; Y268-F496 VanDerWaalsContact CD1-CD1 3.46Å; Y268-F496 AromaticContact CD1-CD2 3.88Å; Y268-F496 HydrophobicContact CD1-CD2 3.88Å; Y268-F496 AromaticContact CD1-CE1 3.62Å; Y268-F496 HydrophobicContact CD1-CE1 3.62Å; Y268-F496 HydrophobicContact CD1-CE2 4.05Å; Y268-F496 AromaticContact CD1-CG 3.61Å; Y268-F496 HydrophobicContact CD1-CG 3.61Å; Y268-F496 AromaticContact CD1-CZ 3.94Å; Y268-F496 HydrophobicContact CD1-CZ 3.94Å; Y268-F496 HydrophobicContact CE1-CB 4.12Å; Y268-F496 HydrophobicContact CE1-CD1 4.04Å; Y268-F496 HydrophobicContact CE1-CD2 4.4Å; Y268-F496 AromaticContact CE1-CG 3.93Å; Y268-F496 HydrophobicContact CE1-CG 3.93Å; Y268-F496 HydrophobicContact CG-CD1 4.44Å; Y268-F496 HydrophobicContact CG-CD2 4.38Å; Y268-F496 HydrophobicContact CG-CE1 4.26Å; Y268-F496 HydrophobicContact CG-CE2 4.21Å; Y268-F496 HydrophobicContact CG-CZ 4.16Å
269L95.1Very high95.4Very high64 Ų6449.1 Ų49.134%0.33530%0.302SS..  trans-63.7143.5173.5-64.5-172.5000110.3R207 Y209 L272R207-L269 HydrophobicContact CB-CB 4.35Å; R207-L269 HydrophobicContact CB-CD1 4.36Å; R207-L269 HydrophobicContact CB-CG 4.49Å; R207-L269 PolarHBondContact O-N 2.81Å; Y209-L269 HydrophobicContact CD1-CD2 3.85Å; Y209-L269 HydrophobicContact CD1-CG 4.39Å; Y209-L269 HydrophobicContact CE1-CD2 3.98Å; L269-L272 HydrophobicContact CB-CD2 4.04Å
270K93.8Very high95.4Very high148 Ų14849.3 Ų49.364%0.64330%0.302SS*.SBendtrans-106.2165.5177.4-57.9-61.3-175.6173.60109.8L272 E492K270-L272 VanDerWaalsContact C-N 3.32Å; K270-L272 PolarHBondContact O-N 3.07Å; K270-E492 IonicContact NZ-OE1 3.38Å; K270-E492 PolarHBondContact NZ-OE1 2.63Å; K270-E492 IonicContact NZ-OE2 3.47Å
271G93.2Very high95.4Very high80 Ų8047.9 Ų47.983%0.82530%0.297SS*.  trans66.531.6178.300000113.9L273G271-L273 VanDerWaalsContact C-N 3.25Å; G271-L273 PolarHBondContact O-N 3.27Å
272L95.8Very high95.4Very high24 Ų2448.1 Ų48.113%0.12630%0.296CS..  trans-73.6-17.7-179.2-67.2172.8000113.8R199 L200 R207 L269 K270 L495 F496R199-L272 PolarHBondContact NH2-O 3.01Å; L200-L272 HydrophobicContact CD2-CB 4.1Å; L200-L272 HydrophobicContact CD2-CD2 4.48Å; R207-L272 HydrophobicContact CB-CD1 4.12Å; R207-L272 HydrophobicContact CB-CD2 4.02Å; R207-L272 HydrophobicContact CG-CD1 4.47Å; L269-L272 HydrophobicContact CB-CD2 4.04Å; K270-L272 VanDerWaalsContact C-N 3.32Å; K270-L272 PolarHBondContact O-N 3.07Å; L272-L495 HydrophobicContact CB-CD1 4.44Å; L272-L495 HydrophobicContact CD1-CD1 4.32Å; L272-F496 HydrophobicContact CD1-CE1 3.86Å; L272-F496 HydrophobicContact CD1-CZ 3.61Å
273L96Very high95.4Very high36 Ų3651.1 Ų51.119%0.18832%0.318CS..SBendtrans-115.1142.8-174.4-57.2-174.1000110.2V196 L200 G271 E277 S278 F281 L495V196-L273 HydrophobicContact CG1-CD2 3.6Å; L200-L273 HydrophobicContact CD1-CD2 4.02Å; G271-L273 VanDerWaalsContact C-N 3.25Å; G271-L273 PolarHBondContact O-N 3.27Å; L273-E277 WeakPolarHBondContact CA-OE2 3.36Å; L273-E277 HydrophobicContact CB-CB 4.09Å; L273-E277 HydrophobicContact CD2-CB 4.23Å; L273-S278 WeakPolarHBondContact CB-OG 3.32Å; L273-F281 HydrophobicContact CD1-CD2 3.72Å; L273-F281 HydrophobicContact CD1-CE2 4.27Å; L273-F281 HydrophobicContact CD1-CG 4.46Å; L273-F281 HydrophobicContact CD2-CE2 4.36Å; L273-L495 HydrophobicContact CD1-CD1 3.97Å; L273-L495 HydrophobicContact CD1-CD2 4.07Å; L273-L495 HydrophobicContact CD2-CD1 4.29Å; L273-L495 HydrophobicContact CD2-CD2 3.98Å; L273-L495 HydrophobicContact CG-CD1 3.93Å; L273-L495 HydrophobicContact CG-CD2 4.33Å
274T94.7Very high95.4Very high75 Ų7554 Ų5446%0.4635%0.347SS..  trans-70.3167.316169.10000110.7A276 E277 S278T274-A276 VanDerWaalsContact C-N 3.25Å; T274-A276 PolarHBondContact O-N 2.9Å; T274-E277 PolarHBondContact N-OE2 2.79Å; T274-E277 PolarHBondContact O-N 2.9Å; T274-E277 VanDerWaalsContact OG1-CG 3.25Å; T274-E277 WeakPolarHBondContact OG1-CG 3.28Å; T274-E277 PolarHBondContact OG1-N 3.39Å; T274-E277 PolarHBondContact OG1-OE2 3.43Å; T274-S278 PolarHBondContact O-N 3.17Å; T274-S278 PolarHBondContact O-OG 2.99Å
275A91.7Very high95.4Very high96 Ų9654 Ų5479%0.79335%0.351SS*.Hα-helixtrans-58.1-39.2174.400000112.1
276A93.8Very high95.3Very high70 Ų7050.8 Ų50.858%0.57934%0.337SS*.Hα-helixtrans-67.9-41.7177.300000112.2T274 S278 A279T274-A276 VanDerWaalsContact C-N 3.25Å; T274-A276 PolarHBondContact O-N 2.9Å; A276-S278 VanDerWaalsContact C-N 3.34Å; A276-S278 PolarHBondContact O-N 2.95Å; A276-A279 WeakPolarHBondContact O-CB 3.47Å; A276-A279 PolarHBondContact O-N 2.82Å
277E95.6Very high95.5Very high29 Ų2950.1 Ų50.114%0.13633%0.328CS..Hα-helixtrans-67.8-35.7179.4-71168.3167.300112.4V196 R199 L273 T274 A279 F280 F281V196-E277 HydrophobicContact CG1-CB 4.23Å; V196-E277 HydrophobicContact CG1-CG 4.24Å; V196-E277 HydrophobicContact CG2-CB 4.17Å; V196-E277 HydrophobicContact CG2-CG 3.78Å; R199-E277 IonicContact CZ-OE1 2.92Å; R199-E277 IonicContact CZ-OE2 2.76Å; R199-E277 IonicContact NH1-OE1 3.99Å; R199-E277 PolarHBondContact NH1-OE1 2.98Å; R199-E277 IonicContact NH1-OE2 2.65Å; R199-E277 IonicContact NH2-OE1 3.21Å; R199-E277 PolarHBondContact NH2-OE1 2.89Å; R199-E277 IonicContact NH2-OE2 3.03Å; R199-E277 PolarHBondContact NH2-OE2 3.12Å; L273-E277 WeakPolarHBondContact CA-OE2 3.36Å; L273-E277 HydrophobicContact CB-CB 4.09Å; L273-E277 HydrophobicContact CD2-CB 4.23Å; T274-E277 PolarHBondContact N-OE2 2.79Å; T274-E277 PolarHBondContact O-N 2.9Å; T274-E277 VanDerWaalsContact OG1-CG 3.25Å; T274-E277 WeakPolarHBondContact OG1-CG 3.28Å; T274-E277 PolarHBondContact OG1-N 3.39Å; T274-E277 PolarHBondContact OG1-OE2 3.43Å; E277-A279 PolarHBondContact O-N 2.77Å; E277-A279 VanDerWaalsContact O-N 3.16Å; E277-F280 WeakPolarHBondContact O-CD2 3.47Å; E277-F280 PolarHBondContact O-N 2.81Å; E277-F281 WeakPolarHBondContact O-CD2 3.33Å
278S96.1Very high95.6Very high52 Ų5251.4 Ų51.436%0.36433%0.329SS..Hα-helixtrans-58.8-27.7177.4-59.50000112.2L273 T274 A276 F280 F281L273-S278 WeakPolarHBondContact CB-OG 3.32Å; T274-S278 PolarHBondContact O-N 3.17Å; T274-S278 PolarHBondContact O-OG 2.99Å; A276-S278 VanDerWaalsContact C-N 3.34Å; A276-S278 PolarHBondContact O-N 2.95Å; S278-F280 PolarHBondContact O-N 2.92Å; S278-F281 PolarHBondContact O-N 2.74Å; S278-F281 VanDerWaalsContact O-N 3.1Å
279A96.3Very high95.7Very high19 Ų1950.5 Ų50.516%0.15733%0.328CS..THydrogen-bonded Turntrans-64.3-23.6177.100000113.2F97 A276 E277 F281 Q282 N286F97-A279 HydrophobicContact CB-CB 3.82Å; F97-A279 HydrophobicContact CD1-CB 4.22Å; F97-A279 HydrophobicContact CD2-CB 3.78Å; F97-A279 WeakPolarHBondContact CD2-O 3.49Å; F97-A279 HydrophobicContact CE2-CB 4.46Å; F97-A279 WeakPolarHBondContact CE2-O 2.98Å; F97-A279 HydrophobicContact CG-CB 3.64Å; A276-A279 WeakPolarHBondContact O-CB 3.47Å; A276-A279 PolarHBondContact O-N 2.82Å; E277-A279 PolarHBondContact O-N 2.77Å; E277-A279 VanDerWaalsContact O-N 3.16Å; A279-F281 VanDerWaalsContact C-N 3.25Å; A279-F281 PolarHBondContact O-N 3.41Å; A279-Q282 PolarHBondContact O-NE2 2.93Å; A279-N286 PolarHBondContact O-ND2 2.9Å
280F96.8Very high95.8Very high16 Ų1650.4 Ų50.47%0.0733%0.331CS..THydrogen-bonded Turntrans-79.8-4176-55.8-59.4000114.1V95 F97 E192 V196 E277 S278 N286V95-F280 WeakPolarHBondContact O-CZ 3.34Å; F97-F280 HydrophobicContact CB-CE1 4.23Å; F97-F280 HydrophobicContact CD2-CD1 4.09Å; F97-F280 HydrophobicContact CD2-CE1 4.25Å; E192-F280 HydrophobicContact CB-CD1 3.85Å; E192-F280 HydrophobicContact CB-CE1 3.52Å; E192-F280 HydrophobicContact CB-CE2 4.27Å; E192-F280 HydrophobicContact CB-CG 4.36Å; E192-F280 HydrophobicContact CB-CZ 3.77Å; E192-F280 HydrophobicContact CG-CE1 4.13Å; E192-F280 HydrophobicContact CG-CZ 4.42Å; V196-F280 HydrophobicContact CG2-CD2 4.15Å; E277-F280 WeakPolarHBondContact O-CD2 3.47Å; E277-F280 PolarHBondContact O-N 2.81Å; S278-F280 PolarHBondContact O-N 2.92Å; F280-N286 PolarHBondContact O-OD1 3.33Å
281F97.1Very high96.1Very high6 Ų643.5 Ų43.53%0.02630%0.301CS..SBendtrans-127.658.3-175.4-60.5-78.7000111.2G193 V196 L197 L273 E277 S278 A279 I287 P491 L495G193-F281 WeakPolarHBondContact O-CZ 3.35Å; V196-F281 HydrophobicContact CB-CE2 4Å; V196-F281 HydrophobicContact CB-CZ 4.19Å; V196-F281 HydrophobicContact CG1-CE2 3.92Å; V196-F281 HydrophobicContact CG1-CZ 4.35Å; L197-F281 HydrophobicContact CD1-CE1 4.25Å; L197-F281 HydrophobicContact CD2-CE1 3.67Å; L197-F281 HydrophobicContact CD2-CZ 3.67Å; L197-F281 HydrophobicContact CG-CE1 3.9Å; L197-F281 HydrophobicContact CG-CZ 3.81Å; L273-F281 HydrophobicContact CD1-CD2 3.72Å; L273-F281 HydrophobicContact CD1-CE2 4.27Å; L273-F281 HydrophobicContact CD1-CG 4.46Å; L273-F281 HydrophobicContact CD2-CE2 4.36Å; E277-F281 WeakPolarHBondContact O-CD2 3.33Å; S278-F281 PolarHBondContact O-N 2.74Å; S278-F281 VanDerWaalsContact O-N 3.1Å; A279-F281 VanDerWaalsContact C-N 3.25Å; A279-F281 PolarHBondContact O-N 3.41Å; F281-I287 HydrophobicContact CB-CD1 3.99Å; F281-P491 WeakPolarHBondContact O-CB 3.45Å; F281-P491 WeakPolarHBondContact O-CG 3.36Å; F281-L495 HydrophobicContact CD1-CD2 4.37Å; F281-L495 HydrophobicContact CD2-CD2 4.34Å; F281-L495 HydrophobicContact CE1-CD2 4.23Å; F281-L495 HydrophobicContact CE2-CD2 4.2Å; F281-L495 HydrophobicContact CG-CD2 4.41Å; F281-L495 HydrophobicContact CZ-CD2 4.13Å
282Q97Very high96.3Very high71 Ų7144.7 Ų44.733%0.33229%0.289SS..  trans-107.1121-178.8-69.3-178.465.500111.5A279 V285 N286 I287A279-Q282 PolarHBondContact O-NE2 2.93Å; Q282-V285 HydrophobicContact CB-CB 3.74Å; Q282-V285 HydrophobicContact CB-CG1 4.4Å; Q282-V285 HydrophobicContact CB-CG2 4.03Å; Q282-V285 PolarHBondContact O-N 2.99Å; Q282-N286 PolarHBondContact N-OD1 3.06Å; Q282-N286 PolarHBondContact O-N 3.19Å; Q282-N286 VanDerWaalsContact O-N 3.1Å; Q282-N286 PolarHBondContact O-OD1 3Å; Q282-I287 PolarHBondContact O-N 3.37Å
283S96.4Very high96.4Very high74 Ų7445.5 Ų45.552%0.51730%0.296SS..BIsolated β-bridgetrans-60.9137.1171.8-66.90000111V285 P491S283-V285 PolarHBondContact O-N 3.25Å; S283-P491 WeakPolarHBondContact OG-CD 3.28Å
284G95.7Very high96.4Very high59 Ų5947.9 Ų47.961%0.60832%0.316SS*.THydrogen-bonded Turntrans73.23.2179.700000114.4M289G284-M289 WeakPolarHBondContact CA-SD 3.48Å; G284-M289 VanDerWaalsContact O-CE 3.26Å; G284-M289 WeakPolarHBondContact O-CE 3.41Å
285V97.1Very high96.4Very high48 Ų4846 Ų4629%0.29131%0.311SS..THydrogen-bonded Turntrans-124.1-55.4-178.4-1790000111.5F97 P103 F132 Q282 S283 M289F97-V285 HydrophobicContact CZ-CG1 4.3Å; P103-V285 WeakPolarHBondContact CD-O 3.47Å; P103-V285 WeakPolarHBondContact CG-O 3.01Å; F132-V285 HydrophobicContact CE1-CG1 4Å; F132-V285 HydrophobicContact CZ-CG1 3.91Å; Q282-V285 HydrophobicContact CB-CB 3.74Å; Q282-V285 HydrophobicContact CB-CG1 4.4Å; Q282-V285 HydrophobicContact CB-CG2 4.03Å; Q282-V285 PolarHBondContact O-N 2.99Å; S283-V285 PolarHBondContact O-N 3.25Å; V285-M289 WeakPolarHBondContact O-CG 3.43Å
286N95.6Very high96.6Very high0 Ų044.5 Ų44.50%029%0.294CS..THydrogen-bonded Turntrans-142.1-8-175.25822.4000115.3F97 A279 F280 Q282F97-N286 WeakPolarHBondContact CE2-ND2 3.03Å; A279-N286 PolarHBondContact O-ND2 2.9Å; F280-N286 PolarHBondContact O-OD1 3.33Å; Q282-N286 PolarHBondContact N-OD1 3.06Å; Q282-N286 PolarHBondContact O-N 3.19Å; Q282-N286 VanDerWaalsContact O-N 3.1Å; Q282-N286 PolarHBondContact O-OD1 3Å
287I97.4Very high96.7Very high7 Ų743 Ų434%0.03628%0.276CS..BIsolated β-bridgetrans-85.5117.7169.8-63.6176.2000108.8F281 Q282 M289 L489 P491F281-I287 HydrophobicContact CB-CD1 3.99Å; Q282-I287 PolarHBondContact O-N 3.37Å; I287-M289 VanDerWaalsContact C-N 3.28Å; I287-M289 PolarHBondContact O-N 2.93Å; I287-L489 HydrophobicContact CG2-CB 3.49Å; I287-L489 VanDerWaalsContact CG2-CB 3.49Å; I287-P491 HydrophobicContact CD1-CG 4.3Å
288K96.6Very high96.8Very high41 Ų4145.9 Ų45.918%0.17829%0.286CS..SBendtrans52.744.4169-158.4161.5-176.3156.40113.6L187 V188 Q487 L489 D499 H534L187-K288 CarbonylContact O-C 3.58Å; L187-K288 WeakPolarHBondContact O-CA 3.21Å; L187-K288 PolarHBondContact O-N 2.94Å; V188-K288 PolarHBondContact O-N 2.85Å; V188-K288 VanDerWaalsContact O-N 3.08Å; K288-Q487 PolarHBondContact NZ-O 3.42Å; K288-L489 HydrophobicContact CD-CB 4.36Å; K288-L489 HydrophobicContact CD-CD1 4.29Å; K288-L489 HydrophobicContact CD-CG 4.22Å; K288-D499 IonicContact NZ-OD2 3.47Å; K288-D499 PolarHBondContact NZ-OD2 2.94Å; K288-H534 WeakPolarHBondContact CE-ND1 3.38Å; K288-H534 PolarHBondContact NZ-ND1 2.88Å
289M98Very high96.8Very high46 Ų4643.5 Ų43.523%0.22727%0.269CS..EExtended strand (participates in β ladder)trans-95.3141.4-176-68-55-68.800111.9P103 F186 L187 G284 V285 I287P103-M289 HydrophobicContact CB-CB 3.8Å; P103-M289 HydrophobicContact CG-CB 3.51Å; P103-M289 HydrophobicContact CG-CG 4.08Å; F186-M289 CarbonylContact C-O 3.59Å; F186-M289 VanDerWaalsContact CA-O 3.29Å; F186-M289 WeakPolarHBondContact CA-O 3.28Å; L187-M289 PolarHBondContact N-O 3.36Å; L187-M289 PolarHBondContact O-N 2.93Å; G284-M289 WeakPolarHBondContact CA-SD 3.48Å; G284-M289 VanDerWaalsContact O-CE 3.26Å; G284-M289 WeakPolarHBondContact O-CE 3.41Å; V285-M289 WeakPolarHBondContact O-CG 3.43Å; I287-M289 VanDerWaalsContact C-N 3.28Å; I287-M289 PolarHBondContact O-N 2.93Å
290P98Very high96.8Very high61 Ų6144.7 Ų44.740%0.39627%0.274SS..EExtended strand (participates in β ladder)trans-66.8145.117529.5-35.1000111.2I185 F186I185-P290 WeakPolarHBondContact O-CA 3.46Å; F186-P290 HydrophobicContact CD1-CB 4.13Å; F186-P290 HydrophobicContact CE1-CB 4.04Å
291I98.6Very high96.8Very high4 Ų444.1 Ų44.12%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-100.5127.4166.2-63.3177.4000107.1P103 F108 V127 L144 I185 L187P103-I291 HydrophobicContact CB-CG1 4.27Å; F108-I291 HydrophobicContact CD1-CG2 4.37Å; F108-I291 WeakPolarHBondContact CD1-O 3.19Å; F108-I291 VanDerWaalsContact CE1-O 3.23Å; F108-I291 WeakPolarHBondContact CE1-O 3.5Å; V127-I291 HydrophobicContact CG1-CD1 3.97Å; V127-I291 HydrophobicContact CG1-CG2 4.33Å; L144-I291 HydrophobicContact CD2-CD1 4.1Å; I185-I291 HydrophobicContact CG2-CB 4.44Å; I185-I291 HydrophobicContact CG2-CD1 4.2Å; I185-I291 PolarHBondContact O-N 3.29Å; L187-I291 HydrophobicContact CB-CD1 4.3Å; L187-I291 HydrophobicContact CB-CG1 4.39Å
292N97.9Very high96.7Very high104 Ų10447 Ų4756%0.55629%0.287SS*.EExtended strand (participates in β ladder)trans-80.2155.1-175.2-70.1-32.1000112.3Y107 F108Y107-N292 CarbonylContact C-O 3.58Å; Y107-N292 WeakPolarHBondContact CA-O 3.43Å; Y107-N292 WeakPolarHBondContact CB-O 3.4Å; F108-N292 WeakPolarHBondContact CD1-O 3.39Å; F108-N292 PolarHBondContact N-O 3Å
293S97.6Very high96.4Very high41 Ų4147.9 Ų47.929%0.28730%0.299SS..EExtended strand (participates in β ladder)trans-78.6141.7172.365.40000110.5F108 G295F108-S293 WeakPolarHBondContact O-CA 3.17Å; S293-G295 VanDerWaalsContact C-N 3.32Å; S293-G295 VanDerWaalsContact CB-O 3.25Å; S293-G295 WeakPolarHBondContact CB-O 2.75Å; S293-G295 PolarHBondContact OG-O 3.33Å
294S96.7Very high95.7Very high86 Ų8649.1 Ų49.160%0.60129%0.292SS*.SBendtrans-83.4-11.6168.2-177.60000112.7F108F108-S294 PolarHBondContact O-N 2.92Å
295G94.2Very high94.6Very high35 Ų3555.9 Ų55.936%0.36130%0.3SS..SBendtrans-140.5-151177.300000110.9S293 D297S293-G295 VanDerWaalsContact C-N 3.32Å; S293-G295 VanDerWaalsContact CB-O 3.25Å; S293-G295 WeakPolarHBondContact CB-O 2.75Å; S293-G295 PolarHBondContact OG-O 3.33Å; G295-D297 PolarHBondContact O-N 3.5Å
296P95.3Very high92.7Very high66 Ų6660.8 Ų60.843%0.42932%0.322SS..  trans-54.6131173.4-23.733.4000111.5I110 W298I110-P296 VanDerWaalsContact CD1-O 3.3Å; I110-P296 WeakPolarHBondContact CD1-O 3.27Å; P296-W298 VanDerWaalsContact C-N 3.28Å
297D96.6Very high90.6Very high39 Ų3970.5 Ų70.521%0.20937%0.365CS..SBendtrans-91.510.7174.166.7-9.8000112.4F108 K182 V183 G295F108-D297 HydrophobicContact CZ-CB 4.13Å; K182-D297 CarbonylContact C-O 3.07Å; K182-D297 WeakPolarHBondContact CA-O 3.42Å; K182-D297 WeakPolarHBondContact CE-OD2 3.47Å; K182-D297 IonicContact NZ-OD2 3.12Å; K182-D297 PolarHBondContact NZ-OD2 2.98Å; V183-D297 PolarHBondContact N-O 3.23Å; G295-D297 PolarHBondContact O-N 3.5Å
298W96.9Very high88.4Confident89 Ų8973.8 Ų73.834%0.33738%0.38SS..EExtended strand (participates in β ladder)trans-145.3159.5-175.365.8-88.1000112.3K180 V181 P296 T300K180-W298 HydrophobicContact CB-CE3 4.49Å; K180-W298 HydrophobicContact CD-CD2 3.87Å; K180-W298 HydrophobicContact CD-CE3 3.77Å; K180-W298 HydrophobicContact CD-CG 4.26Å; K180-W298 HydrophobicContact CD-CZ3 4.14Å; K180-W298 HydrophobicContact CG-CB 4.22Å; K180-W298 HydrophobicContact CG-CD2 3.98Å; K180-W298 HydrophobicContact CG-CE3 3.62Å; K180-W298 HydrophobicContact CG-CG 4.24Å; K180-W298 HydrophobicContact CG-CZ3 4.25Å; V181-W298 CarbonylContact O-C 3.51Å; V181-W298 WeakPolarHBondContact O-CA 3.27Å; V181-W298 WeakPolarHBondContact O-CB 3.5Å; P296-W298 VanDerWaalsContact C-N 3.28Å; W298-T300 WeakPolarHBondContact CZ3-OG1 3.17Å
299V97.1Very high86Confident1 Ų175.3 Ų75.31%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-130.8158.8173.1-640000111.1I110 F117 L123 L175 V181 V301I110-V299 HydrophobicContact CD1-CG1 4.31Å; I110-V299 HydrophobicContact CG2-CG1 3.76Å; F117-V299 HydrophobicContact CD2-CB 3.92Å; F117-V299 HydrophobicContact CD2-CG1 4.2Å; F117-V299 HydrophobicContact CD2-CG2 4.24Å; F117-V299 HydrophobicContact CE2-CB 4.04Å; F117-V299 HydrophobicContact CE2-CG1 3.79Å; L123-V299 HydrophobicContact CD1-CG1 4.01Å; L123-V299 HydrophobicContact CD1-CG2 4.47Å; L123-V299 HydrophobicContact CD2-CG1 4.41Å; L123-V299 HydrophobicContact CD2-CG2 4.08Å; L175-V299 HydrophobicContact CD2-CG2 4.33Å; V181-V299 HydrophobicContact CB-CG2 4.33Å; V181-V299 PolarHBondContact N-O 3.32Å; V181-V299 PolarHBondContact O-N 3.36Å; V299-V301 HydrophobicContact CG2-CG2 4.21Å
300T96.7Very high83.3Confident45 Ų4580 Ų8028%0.27642%0.419SS..EExtended strand (participates in β ladder)trans-94.5124.1170.8-53.50000109.9F116 F117 W298F116-T300 HydrophobicContact CD1-CG2 3.7Å; F116-T300 HydrophobicContact CE1-CG2 3.86Å; F117-T300 PolarHBondContact N-O 3.08Å; W298-T300 WeakPolarHBondContact CZ3-OG1 3.17Å
301V96.4Very high80.5Confident3 Ų383.1 Ų83.12%0.01843%0.432CS..EExtended strand (participates in β ladder)trans-107.4124175.4-169.70000109.6F117 V119 L175 W177 P178 G179 V181 V299F117-V301 CarbonylContact O-C 3.57Å; F117-V301 WeakPolarHBondContact O-CA 3.4Å; V119-V301 HydrophobicContact CG2-CG1 3.76Å; L175-V301 HydrophobicContact CB-CG1 4.25Å; L175-V301 HydrophobicContact CB-CG2 4.29Å; L175-V301 HydrophobicContact CD1-CG2 3.91Å; L175-V301 HydrophobicContact CD2-CG2 3.95Å; L175-V301 HydrophobicContact CG-CG2 4.28Å; W177-V301 WeakPolarHBondContact O-CB 3.34Å; W177-V301 WeakPolarHBondContact O-CG1 3.18Å; P178-V301 CarbonylContact C-O 3.57Å; P178-V301 WeakPolarHBondContact CA-O 3.33Å; G179-V301 PolarHBondContact N-O 3.23Å; G179-V301 PolarHBondContact O-N 2.99Å; V181-V301 HydrophobicContact CB-CG2 4.15Å; V181-V301 HydrophobicContact CG2-CB 4.34Å; V181-V301 HydrophobicContact CG2-CG2 3.54Å; V299-V301 HydrophobicContact CG2-CG2 4.21Å
302I94.8Very high77.9Confident66 Ų6686.2 Ų86.234%0.33845%0.448SS..EExtended strand (participates in β ladder)trans-96.4146.9176.961.1172.5000110.8F116 F117 Q118 V119F116-I302 HydrophobicContact CB-CG2 4.4Å; F116-I302 HydrophobicContact CD1-CG2 4.18Å; F117-I302 WeakPolarHBondContact O-CG1 3.47Å; F117-I302 PolarHBondContact O-N 3.5Å; Q118-I302 HydrophobicContact CG-CD1 4.12Å; Q118-I302 HydrophobicContact CG-CG1 3.97Å; V119-I302 PolarHBondContact N-O 2.83Å; V119-I302 VanDerWaalsContact N-O 3.14Å
303P91.5Very high75.3Confident90 Ų9089.9 Ų89.958%0.58446%0.462SS*.PPolyproline II helixtrans-57.4147173.7-21.331.8000111.9P178P178-P303 HydrophobicContact CB-CG 3.82Å; P178-P303 HydrophobicContact CG-CG 4.28Å
304R80.8Confident72.5Confident101 Ų10195.9 Ų95.938%0.38149%0.49SS..PPolyproline II helixtrans-76.3144.5170.8-161.8170.8-179.3173.5-0.2109.8E308 L312R304-E308 HydrophobicContact CG-CB 4.48Å; R304-E308 IonicContact CZ-OE2 3.45Å; R304-E308 VanDerWaalsContact CZ-OE2 3.24Å; R304-E308 IonicContact NE-OE2 3.04Å; R304-E308 PolarHBondContact NE-OE2 2.96Å; R304-E308 IonicContact NH2-OE2 2.86Å; R304-E308 PolarHBondContact NH2-OE2 2.85Å; R304-L312 VanDerWaalsContact NH1-CD1 3.34Å
305R72.1Confident69.7Low201 Ų20195.7 Ų95.776%0.75849%0.489SS*.PPolyproline II helixtrans-69.7138.9-179.6-62.3-174.9-169.8-174.84.4110.6K307 E308R305-K307 PolarHBondContact O-N 2.54Å; R305-K307 VanDerWaalsContact O-N 3.08Å; R305-E308 PolarHBondContact O-N 3.04Å; R305-E308 VanDerWaalsContact O-N 3.09Å
306I57.9Low67.2Low150 Ų15097.5 Ų97.577%0.76949%0.488SS*.G310 helixtrans-56.6-27.4-172.7-62.3168.2000113.7E308 T309I306-E308 PolarHBondContact O-N 3.29Å; I306-T309 WeakPolarHBondContact CA-OG1 3.36Å; I306-T309 WeakPolarHBondContact O-CB 3.26Å; I306-T309 PolarHBondContact O-N 3.44Å; I306-T309 PolarHBondContact O-OG1 3.4Å
307K51.5Low64.3Low204 Ų20496.8 Ų96.889%0.88749%0.492SS*.G310 helixtrans-69.5-12.5178.9-75.1-173.6175.2-176.10114.6R305R305-K307 PolarHBondContact O-N 2.54Å; R305-K307 VanDerWaalsContact O-N 3.08Å
308E51.6Low61.4Low77 Ų77103.7 Ų103.736%0.3653%0.528SS..G310 helixtrans-101.6-1.6178.1-65.9177.3-159.400113.1R304 R305 I306R304-E308 HydrophobicContact CG-CB 4.48Å; R304-E308 IonicContact CZ-OE2 3.45Å; R304-E308 VanDerWaalsContact CZ-OE2 3.24Å; R304-E308 IonicContact NE-OE2 3.04Å; R304-E308 PolarHBondContact NE-OE2 2.96Å; R304-E308 IonicContact NH2-OE2 2.86Å; R304-E308 PolarHBondContact NH2-OE2 2.85Å; R305-E308 PolarHBondContact O-N 3.04Å; R305-E308 VanDerWaalsContact O-N 3.09Å; I306-E308 PolarHBondContact O-N 3.29Å
309T46.8Very low59.3Low73 Ų73102.7 Ų102.745%0.44855%0.546SS..G310 helixtrans-74.4-29.2-173-41.80000112.6I306 N311 L312I306-T309 WeakPolarHBondContact CA-OG1 3.36Å; I306-T309 WeakPolarHBondContact O-CB 3.26Å; I306-T309 PolarHBondContact O-N 3.44Å; I306-T309 PolarHBondContact O-OG1 3.4Å; T309-N311 PolarHBondContact O-N 2.94Å; T309-L312 PolarHBondContact O-N 3.32Å
310N39.9Very low58.1Low145 Ų145104.2 Ų104.278%0.77556%0.555SS**G310 helixtrans-68.7-15.6-179.9-67.8-1.9000114.1
311N39.3Very low57.4Low125 Ų125105.2 Ų105.267%0.66856%0.556SS**G310 helixtrans-91.7-5.5179.1-72.7-12000113.3T309 S315T309-N311 PolarHBondContact O-N 2.94Å; N311-S315 VanDerWaalsContact O-CB 3.32Å; N311-S315 WeakPolarHBondContact O-CB 3.16Å; N311-S315 PolarHBondContact O-N 3.22Å; N311-S315 PolarHBondContact O-OG 3.2Å
312L44.5Very low57.3Low69 Ų69105.1 Ų105.136%0.36156%0.555SS.*SBendtrans-97.2-15.8-170.8-122.1150.9000114R304 T309 L314R304-L312 VanDerWaalsContact NH1-CD1 3.34Å; T309-L312 PolarHBondContact O-N 3.32Å; L312-L314 PolarHBondContact O-N 3.11Å
313E42.7Very low57.2Low181 Ų181103.7 Ų103.785%0.84655%0.551SS**SBendtrans-69.3-15.6169.9-70.5-171.4159.400111.9
314L39.4Very low57.4Low168 Ų16899.4 Ų99.488%0.8852%0.523SS*.SBendtrans-133.35.9-175-146.874.9000115.9L312L312-L314 PolarHBondContact O-N 3.11Å
315S37.7Very low58.1Low82 Ų8296.5 Ų96.557%0.57351%0.513SS*.  trans-102.334.2175.582.40000113N311 G317N311-S315 VanDerWaalsContact O-CB 3.32Å; N311-S315 WeakPolarHBondContact O-CB 3.16Å; N311-S315 PolarHBondContact O-N 3.22Å; N311-S315 PolarHBondContact O-OG 3.2Å; S315-G317 PolarHBondContact O-N 3.01Å
316Q42Very low59.4Low72 Ų7287 Ų8734%0.33648%0.477SS..  trans-9583.9177.2-61.2-162.811.500109.9R334Q316-R334 VanDerWaalsContact CD-O 3.29Å; Q316-R334 PolarHBondContact NE2-O 2.79Å; Q316-R334 PolarHBondContact OE1-O 2.95Å
317G34.9Very low61.3Low51 Ų5182 Ų8253%0.52645%0.449SS..  trans-55.1149.2170.800000111.9S315 G319S315-G317 PolarHBondContact O-N 3.01Å; G317-G319 PolarHBondContact O-N 3.23Å
318L34Very low63.4Low184 Ų18478.2 Ų78.296%0.96343%0.432SS*.THydrogen-bonded Turntrans-56.2103.1169.3-157.879.5000108.7
319G53.5Low65.5Low69 Ų6976 Ų7671%0.71142%0.423SS*.THydrogen-bonded Turntrans137.111.5-179.900000117.8G317 F321G317-G319 PolarHBondContact O-N 3.23Å; G319-F321 PolarHBondContact O-N 3.44Å; G319-F321 VanDerWaalsContact O-N 3.09Å
320T71.4Confident67.9Low32 Ų3276 Ų7620%0.19642%0.418CS..  trans-73.398.9-178.238.30000114P322 R334T320-P322 VanDerWaalsContact O-O 3.09Å; T320-R334 VanDerWaalsContact CB-CZ 3.45Å
321F83.4Confident70.6Confident67 Ų6769.2 Ų69.229%0.29438%0.381SS..SBendtrans-88.1144.4164.9178.5-84.2000111.1V158 G159 R160 T174 G319 R334 E525V158-F321 HydrophobicContact CB-CZ 4.37Å; V158-F321 HydrophobicContact CG2-CE1 4.21Å; V158-F321 HydrophobicContact CG2-CE2 4.09Å; V158-F321 HydrophobicContact CG2-CZ 3.56Å; V158-F321 WeakPolarHBondContact O-CE1 3.43Å; G159-F321 VanDerWaalsContact C-CE1 3.46Å; R160-F321 HydrophobicContact CB-CD1 3.8Å; R160-F321 HydrophobicContact CB-CE1 3.57Å; R160-F321 HydrophobicContact CB-CG 4.42Å; R160-F321 HydrophobicContact CB-CZ 3.95Å; T174-F321 PolarHBondContact OG1-O 3.2Å; T174-F321 VanDerWaalsContact OG1-O 3.08Å; G319-F321 PolarHBondContact O-N 3.44Å; G319-F321 VanDerWaalsContact O-N 3.09Å; F321-R334 PolarHBondContact O-NH1 3.26Å; F321-R334 VanDerWaalsContact O-NH1 3.08Å; F321-E525 VanDerWaalsContact CE2-OE1 3.24Å; F321-E525 WeakPolarHBondContact CE2-OE1 3.45Å
322P92.8Very high73.3Confident0 Ų067.6 Ų67.60%037%0.366CS..SBendcis-71.9172.2-8.533.2-38.1000112.3A157 V158 L176 T320 G324 R334 E525A157-P322 HydrophobicContact CB-CG 4.34Å; V158-P322 HydrophobicContact CG2-CB 3.6Å; L176-P322 HydrophobicContact CD1-CG 3.87Å; T320-P322 VanDerWaalsContact O-O 3.09Å; P322-G324 WeakPolarHBondContact CG-O 3.3Å; P322-G324 PolarHBondContact O-N 3.44Å; P322-R334 WeakPolarHBondContact O-CD 3.48Å; P322-E525 WeakPolarHBondContact CB-OE2 3.3Å
323S93Very high75.7Confident37 Ų3765.1 Ų65.126%0.25935%0.354SS..SBendtrans-63.7-29174.971.20000113.1W331 R334 D522 E525S323-W331 WeakPolarHBondContact OG-CZ2 3.37Å; S323-R334 PolarHBondContact O-N 3.34Å; S323-D522 PolarHBondContact OG-OD2 2.88Å; S323-E525 WeakPolarHBondContact CA-OE2 3.4Å; S323-E525 VanDerWaalsContact CB-OE2 3.23Å; S323-E525 WeakPolarHBondContact CB-OE2 3.21Å; S323-E525 PolarHBondContact N-OE2 3.12Å; S323-E525 PolarHBondContact OG-OE2 2.83Å
324G95.3Very high77.9Confident0 Ų059 Ų590%032%0.323CS..EExtended strand (participates in β ladder)trans-171.6-170.4178.700000112.8P322 W331 R332P322-G324 WeakPolarHBondContact CG-O 3.3Å; P322-G324 PolarHBondContact O-N 3.44Å; G324-W331 WeakPolarHBondContact O-CH2 3.5Å; G324-R332 CarbonylContact C-O 3.57Å; G324-R332 WeakPolarHBondContact CA-O 3.18Å
325Y97.4Very high80.1Confident39 Ų3957.9 Ų57.915%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-153.9155.4177.864.2-74.1000111.3G156 L176 W177 W331 R332G156-Y325 CarbonylContact O-C 3.52Å; G156-Y325 WeakPolarHBondContact O-CA 3.33Å; G156-Y325 WeakPolarHBondContact O-CB 3.41Å; L176-Y325 HydrophobicContact CB-CD1 3.86Å; L176-Y325 HydrophobicContact CB-CD2 3.84Å; L176-Y325 HydrophobicContact CB-CE1 4.07Å; L176-Y325 HydrophobicContact CB-CE2 4.05Å; L176-Y325 HydrophobicContact CB-CG 3.75Å; L176-Y325 HydrophobicContact CD1-CD1 3.66Å; L176-Y325 HydrophobicContact CD1-CG 3.74Å; L176-Y325 HydrophobicContact CD2-CD1 4.11Å; L176-Y325 HydrophobicContact CD2-CE1 4.19Å; L176-Y325 HydrophobicContact CG-CD1 4.07Å; L176-Y325 HydrophobicContact CG-CE1 4.47Å; L176-Y325 HydrophobicContact CG-CG 4.26Å; W177-Y325 AromaticContact CE3-CD2 3.77Å; W177-Y325 HydrophobicContact CE3-CD2 3.77Å; W177-Y325 HydrophobicContact CE3-CE2 4.34Å; W177-Y325 HydrophobicContact CZ3-CD2 4.11Å; Y325-W331 CarbonylContact O-C 3.49Å; Y325-R332 HydrophobicContact CD1-CB 4.04Å; Y325-R332 WeakPolarHBondContact CD1-O 3.07Å; Y325-R332 HydrophobicContact CE1-CB 3.67Å; Y325-R332 HydrophobicContact CE2-CB 4.28Å; Y325-R332 HydrophobicContact CG-CB 4.49Å; Y325-R332 PolarHBondContact N-O 2.63Å; Y325-R332 VanDerWaalsContact N-O 3.08Å; Y325-R332 PolarHBondContact O-N 3.06Å; Y325-R332 WeakPolarHBondContact OH-CD 3.24Å
326Y98.3Very high82.2Confident2 Ų257.5 Ų57.51%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-82.5144.5167.7-78.5-82.7000111.6A155 G156 Q330 W331 M526 A529 H530 N545A155-Y326 WeakPolarHBondContact CA-O 3.34Å; A155-Y326 WeakPolarHBondContact CB-O 3.49Å; G156-Y326 PolarHBondContact N-O 3.4Å; G156-Y326 VanDerWaalsContact N-O 3.12Å; G156-Y326 PolarHBondContact O-N 3.15Å; Y326-Q330 WeakPolarHBondContact CA-O 3.26Å; Y326-W331 HydrophobicContact CD1-CB 4.48Å; Y326-W331 AromaticContact CD2-CE3 3.63Å; Y326-W331 HydrophobicContact CD2-CE3 3.63Å; Y326-W331 AromaticContact CD2-CZ3 3.98Å; Y326-W331 HydrophobicContact CD2-CZ3 3.98Å; Y326-W331 HydrophobicContact CE1-CB 4.07Å; Y326-W331 AromaticContact CE2-CE3 3.49Å; Y326-W331 HydrophobicContact CE2-CE3 3.49Å; Y326-W331 VanDerWaalsContact CE2-CE3 3.49Å; Y326-W331 AromaticContact CE2-CZ3 3.93Å; Y326-W331 HydrophobicContact CE2-CZ3 3.93Å; Y326-W331 HydrophobicContact CG-CE3 4.23Å; Y326-M526 HydrophobicContact CE2-CB 4.4Å; Y326-M526 WeakPolarHBondContact CE2-O 3.48Å; Y326-A529 HydrophobicContact CD2-CB 3.9Å; Y326-A529 HydrophobicContact CE2-CB 4.3Å; Y326-H530 AromaticContact CD1-CD2 3.91Å; Y326-H530 HydrophobicContact CD2-CB 4.45Å; Y326-H530 AromaticContact CE1-CD2 3.64Å; Y326-H530 HydrophobicContact CE2-CB 4.11Å; Y326-H530 AromaticContact CE2-CD2 3.81Å; Y326-H530 AromaticContact CZ-CD2 3.58Å; Y326-N545 HydrophobicContact CE1-CB 4.27Å
327Y96.8Very high84.3Confident46 Ų4662.1 Ų62.118%0.1832%0.318CS..EExtended strand (participates in β ladder)trans-149.5120.8162.8-174-91.3000108.8L153 A155 W177 Q330L153-Y327 HydrophobicContact CB-CE2 4.47Å; L153-Y327 HydrophobicContact CD1-CE2 4.18Å; A155-Y327 HydrophobicContact CB-CD2 4.01Å; W177-Y327 HydrophobicContact CB-CD2 3.84Å; W177-Y327 HydrophobicContact CB-CE2 3.91Å; W177-Y327 HydrophobicContact CG-CD2 4.2Å; W177-Y327 HydrophobicContact CG-CE2 4.39Å; Y327-Q330 PolarHBondContact N-O 2.87Å; Y327-Q330 PolarHBondContact O-N 3.19Å
328K96.6Very high87Confident123 Ų12360.7 Ų60.754%0.53530%0.298SS..THydrogen-bonded Turntrans5648.2-172.1-59.1179.1175.6-174.10112.5L153 Q154 Q330L153-K328 WeakPolarHBondContact O-CA 3.36Å; L153-K328 PolarHBondContact O-N 3.21Å; Q154-K328 PolarHBondContact O-N 3.35Å; K328-Q330 PolarHBondContact O-N 3.23Å
329D96.8Very high89.8Confident31 Ų3154.7 Ų54.717%0.16626%0.263CS..THydrogen-bonded Turntrans59.310.1-176.9-75.8-15.9000115.8Q154 H530 Y531 V541 N545Q154-D329 WeakPolarHBondContact CB-OD1 3.27Å; Q154-D329 VanDerWaalsContact CD-OD2 3.29Å; Q154-D329 PolarHBondContact NE2-OD2 2.72Å; Q154-D329 PolarHBondContact O-N 2.7Å; D329-H530 IonicContact OD1-CE1 3.9Å; D329-H530 IonicContact OD1-NE2 2.75Å; D329-H530 PolarHBondContact OD1-NE2 3.34Å; D329-Y531 WeakPolarHBondContact OD1-CE1 3.25Å; D329-Y531 PolarHBondContact OD2-OH 2.83Å; D329-V541 HydrophobicContact CB-CG2 3.95Å; D329-N545 PolarHBondContact O-ND2 3.1Å
330Q96.6Very high91.7Very high73 Ų7353.8 Ų53.834%0.34124%0.24SC..EExtended strand (participates in β ladder)trans-106.9125.2176.2-65.81759.500110.1Y326 Y327 K328 N545Y326-Q330 WeakPolarHBondContact CA-O 3.26Å; Y327-Q330 PolarHBondContact N-O 2.87Å; Y327-Q330 PolarHBondContact O-N 3.19Å; K328-Q330 PolarHBondContact O-N 3.23Å; Q330-N545 WeakPolarHBondContact CA-OD1 3.42Å
331W97.2Very high92.9Very high3 Ų352.4 Ų52.41%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-69.3132.2171.8-177.7-105.3000110.1S323 G324 Y325 Y326 M338 E525 M526 A529 N545S323-W331 WeakPolarHBondContact OG-CZ2 3.37Å; G324-W331 WeakPolarHBondContact O-CH2 3.5Å; Y325-W331 CarbonylContact O-C 3.49Å; Y326-W331 HydrophobicContact CD1-CB 4.48Å; Y326-W331 AromaticContact CD2-CE3 3.63Å; Y326-W331 HydrophobicContact CD2-CE3 3.63Å; Y326-W331 AromaticContact CD2-CZ3 3.98Å; Y326-W331 HydrophobicContact CD2-CZ3 3.98Å; Y326-W331 HydrophobicContact CE1-CB 4.07Å; Y326-W331 AromaticContact CE2-CE3 3.49Å; Y326-W331 HydrophobicContact CE2-CE3 3.49Å; Y326-W331 VanDerWaalsContact CE2-CE3 3.49Å; Y326-W331 AromaticContact CE2-CZ3 3.93Å; Y326-W331 HydrophobicContact CE2-CZ3 3.93Å; Y326-W331 HydrophobicContact CG-CE3 4.23Å; W331-M338 HydrophobicContact CB-CE 4.14Å; W331-M338 WeakPolarHBondContact O-CE 3.26Å; W331-E525 HydrophobicContact CH2-CB 3.94Å; W331-M526 HydrophobicContact CB-CE 3.77Å; W331-M526 HydrophobicContact CD2-CE 3.92Å; W331-M526 HydrophobicContact CD2-CG 3.69Å; W331-M526 HydrophobicContact CE3-CG 3.85Å; W331-M526 HydrophobicContact CG-CE 3.36Å; W331-M526 HydrophobicContact CG-CG 4.14Å; W331-M526 HydrophobicContact CH2-CG 4.23Å; W331-M526 HydrophobicContact CZ2-CG 4.08Å; W331-M526 HydrophobicContact CZ3-CG 4.13Å; W331-A529 HydrophobicContact CZ3-CB 4.04Å; W331-N545 HydrophobicContact CB-CB 4.04Å; W331-N545 WeakPolarHBondContact CB-OD1 3.39Å; W331-N545 PolarHBondContact N-OD1 2.89Å
332R95.7Very high93.5Very high91 Ų9154 Ų5434%0.34324%0.242SC..EExtended strand (participates in β ladder)trans-121.497.4179.6-65-177.5177.5-161.8-3.8107.8G324 Y325G324-R332 CarbonylContact C-O 3.57Å; G324-R332 WeakPolarHBondContact CA-O 3.18Å; Y325-R332 HydrophobicContact CD1-CB 4.04Å; Y325-R332 WeakPolarHBondContact CD1-O 3.07Å; Y325-R332 HydrophobicContact CE1-CB 3.67Å; Y325-R332 HydrophobicContact CE2-CB 4.28Å; Y325-R332 HydrophobicContact CG-CB 4.49Å; Y325-R332 PolarHBondContact N-O 2.63Å; Y325-R332 VanDerWaalsContact N-O 3.08Å; Y325-R332 PolarHBondContact O-N 3.06Å; Y325-R332 WeakPolarHBondContact OH-CD 3.24Å
333P93.6Very high93.7Very high17 Ų1757.4 Ų57.411%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-64.4148.117422.6-24.9000109.6F336 M338P333-F336 HydrophobicContact CB-CD1 4.23Å; P333-F336 HydrophobicContact CB-CE1 3.92Å; P333-F336 HydrophobicContact CB-CZ 4.33Å; P333-F336 HydrophobicContact CG-CD1 4.34Å; P333-F336 HydrophobicContact CG-CE1 4Å; P333-F336 HydrophobicContact CG-CE2 4.25Å; P333-F336 HydrophobicContact CG-CZ 3.95Å; P333-F336 WeakPolarHBondContact CG-O 3.46Å; P333-M338 HydrophobicContact CG-CB 3.73Å; P333-M338 HydrophobicContact CG-CG 4.47Å; P333-M338 HydrophobicContact CG-SD 4.41Å
334R89.6Confident93.9Very high52 Ų5257.2 Ų57.220%0.19626%0.259CS..SBendtrans-78.2-35.7-178.3-72.2-16761.2-171.5-6113.3Q316 T320 F321 P322 S323Q316-R334 VanDerWaalsContact CD-O 3.29Å; Q316-R334 PolarHBondContact NE2-O 2.79Å; Q316-R334 PolarHBondContact OE1-O 2.95Å; T320-R334 VanDerWaalsContact CB-CZ 3.45Å; F321-R334 PolarHBondContact O-NH1 3.26Å; F321-R334 VanDerWaalsContact O-NH1 3.08Å; P322-R334 WeakPolarHBondContact O-CD 3.48Å; S323-R334 PolarHBondContact O-N 3.34Å
335K84.4Confident94Very high145 Ų14562.4 Ų62.463%0.6329%0.286SS*.SBendtrans-86.2-18.1-168-65.5-172.5178.1-176.30115.1
336F83.1Confident94Very high73 Ų7363.2 Ų63.232%0.3229%0.293SS..SBendtrans-155.8167.7-17971.4-82.4000110.9P333 M549 F553P333-F336 HydrophobicContact CB-CD1 4.23Å; P333-F336 HydrophobicContact CB-CE1 3.92Å; P333-F336 HydrophobicContact CB-CZ 4.33Å; P333-F336 HydrophobicContact CG-CD1 4.34Å; P333-F336 HydrophobicContact CG-CE1 4Å; P333-F336 HydrophobicContact CG-CE2 4.25Å; P333-F336 HydrophobicContact CG-CZ 3.95Å; P333-F336 WeakPolarHBondContact CG-O 3.46Å; F336-M549 HydrophobicContact CE1-CE 4.09Å; F336-M549 HydrophobicContact CZ-CE 4.19Å; F336-M549 HydrophobicContact CZ-CG 4.18Å; F336-F553 HydrophobicContact CD1-CE1 4.32Å; F336-F553 AromaticContact CE1-CE1 3.47Å; F336-F553 HydrophobicContact CE1-CE1 3.47Å; F336-F553 VanDerWaalsContact CE1-CE1 3.47Å; F336-F553 AromaticContact CE1-CZ 3.62Å; F336-F553 HydrophobicContact CE1-CZ 3.62Å; F336-F553 HydrophobicContact CE2-CD1 4.44Å; F336-F553 AromaticContact CE2-CE1 3.95Å; F336-F553 HydrophobicContact CE2-CE1 3.95Å; F336-F553 HydrophobicContact CE2-CZ 4.49Å; F336-F553 HydrophobicContact CZ-CD1 4.11Å; F336-F553 AromaticContact CZ-CE1 3.25Å; F336-F553 HydrophobicContact CZ-CE1 3.25Å; F336-F553 HydrophobicContact CZ-CE2 4.41Å; F336-F553 AromaticContact CZ-CZ 3.45Å; F336-F553 HydrophobicContact CZ-CZ 3.45Å; F336-F553 VanDerWaalsContact CZ-CZ 3.45Å
337K86.7Confident94Very high170 Ų17063.2 Ų63.274%0.73929%0.294SS*.PPolyproline II helixtrans-87.1117.2177.8-171.8175.7179.7-1790110.3L557K337-L557 HydrophobicContact CD-CD1 4.22Å
338M91.2Very high94.1Very high20 Ų2061.4 Ų61.410%0.09929%0.287CS..PPolyproline II helixtrans-83135.4175.9-163176.381.400110.8W331 P333 D548 M549 S552W331-M338 HydrophobicContact CB-CE 4.14Å; W331-M338 WeakPolarHBondContact O-CE 3.26Å; P333-M338 HydrophobicContact CG-CB 3.73Å; P333-M338 HydrophobicContact CG-CG 4.47Å; P333-M338 HydrophobicContact CG-SD 4.41Å; M338-D548 HydrophobicContact CE-CB 3.71Å; M338-D548 HydrophobicContact CG-CB 4.34Å; M338-D548 HydrophobicContact SD-CB 4.07Å; M338-M549 HydrophobicContact SD-CB 3.75Å; M338-M549 HydrophobicContact SD-CG 4.29Å; M338-S552 WeakPolarHBondContact CG-OG 3.48Å
339R92.6Very high94.1Very high59 Ų5961.7 Ų61.722%0.22329%0.29CS..PPolyproline II helixtrans-77.3157169.2-6817563.7-1781.5109.9F341 S552 C555 L557R339-F341 HydrophobicContact CB-CD2 4.32Å; R339-F341 HydrophobicContact CB-CE2 3.59Å; R339-F341 HydrophobicContact CB-CZ 3.97Å; R339-S552 PolarHBondContact N-OG 2.87Å; R339-C555 PolarHBondContact NH1-O 3.33Å; R339-C555 PolarHBondContact NH1-SG 3.49Å; R339-L557 HydrophobicContact CG-CD1 4.36Å; R339-L557 HydrophobicContact CG-CD2 3.96Å; R339-L557 HydrophobicContact CG-CG 3.94Å
340Q93.4Very high94.1Very high50 Ų5060.6 Ų60.623%0.23429%0.285CS..  trans-112.6120.8174.7-65.9-67.1-53.500108.4N342 D548Q340-N342 PolarHBondContact O-N 3.25Å; Q340-D548 PolarHBondContact OE1-OD2 3.1Å
341F96.3Very high94.2Very high2 Ų257.2 Ų57.21%0.00927%0.269CS..  trans-101.567.5-179.8-64.9-95.3000109.7R339 D343 N346 I347 C350 D548 L551 C555R339-F341 HydrophobicContact CB-CD2 4.32Å; R339-F341 HydrophobicContact CB-CE2 3.59Å; R339-F341 HydrophobicContact CB-CZ 3.97Å; F341-D343 VanDerWaalsContact C-N 3.33Å; F341-N346 HydrophobicContact CD1-CB 3.96Å; F341-I347 HydrophobicContact CB-CD1 4.08Å; F341-I347 HydrophobicContact CB-CG1 3.71Å; F341-I347 HydrophobicContact CD1-CG1 3.93Å; F341-I347 HydrophobicContact CG-CG1 4.17Å; F341-C350 HydrophobicContact CE1-CB 3.94Å; F341-D548 HydrophobicContact CD2-CB 4.43Å; F341-D548 PolarHBondContact N-OD1 3.21Å; F341-L551 HydrophobicContact CB-CD1 4.1Å; F341-L551 HydrophobicContact CD1-CB 4.34Å; F341-L551 HydrophobicContact CD1-CD1 3.9Å; F341-L551 HydrophobicContact CD2-CB 3.78Å; F341-L551 HydrophobicContact CD2-CD1 3.94Å; F341-L551 HydrophobicContact CE1-CB 3.99Å; F341-L551 HydrophobicContact CE1-CD1 4.32Å; F341-L551 HydrophobicContact CE2-CB 3.35Å; F341-L551 HydrophobicContact CE2-CD1 4.34Å; F341-L551 HydrophobicContact CE2-CG 4.5Å; F341-L551 HydrophobicContact CG-CB 4.25Å; F341-L551 HydrophobicContact CG-CD1 3.7Å; F341-L551 HydrophobicContact CZ-CB 3.48Å; F341-L551 VanDerWaalsContact CZ-CB 3.48Å; F341-C555 VanDerWaalsContact CZ-SG 3.56Å
342N95.8Very high94.3Very high100 Ų10061 Ų6154%0.53529%0.288SS..  trans-83.4-12.9-178.4-61.2-25.1000113.3Q340 K544Q340-N342 PolarHBondContact O-N 3.25Å; N342-K544 VanDerWaalsContact OD1-CE 3.3Å; N342-K544 WeakPolarHBondContact OD1-CE 3.3Å; N342-K544 PolarHBondContact OD1-NZ 2.97Å
343D97Very high94.4Very high73 Ų7364.5 Ų64.539%0.3930%0.301SS..SBendtrans-116.4128.2179.1-171.3-32.2000107.9F341 D345 N346F341-D343 VanDerWaalsContact C-N 3.33Å; D343-D345 PolarHBondContact O-N 2.7Å; D343-D345 WeakPolarHBondContact OD1-CB 3.34Å; D343-D345 PolarHBondContact OD1-N 2.82Å; D343-N346 WeakPolarHBondContact O-CB 3.26Å; D343-N346 PolarHBondContact O-N 3.32Å; D343-N346 VanDerWaalsContact O-N 3.16Å
344P97.5Very high94.6Very high32 Ų3265.3 Ų65.321%0.20830%0.302CS..Hα-helixtrans-54.6-32.5176.222.3-34.5000113.6N346 I347 T348 F374 V375P344-N346 VanDerWaalsContact C-N 3.25Å; P344-N346 PolarHBondContact O-N 2.77Å; P344-I347 WeakPolarHBondContact O-CB 3.41Å; P344-I347 PolarHBondContact O-N 2.71Å; P344-T348 PolarHBondContact O-N 3.08Å; P344-T348 PolarHBondContact O-OG1 3.38Å; P344-F374 HydrophobicContact CB-CD1 4.29Å; P344-F374 HydrophobicContact CB-CE1 4.21Å; P344-F374 WeakPolarHBondContact CB-O 3.2Å; P344-V375 HydrophobicContact CB-CG2 4.47Å
345D97.8Very high95.1Very high109 Ų10964.9 Ų64.958%0.58331%0.305SS*.Hα-helixtrans-62.6-34-179.6-73.8-16.7000111.9D343 I347 T348 E349D343-D345 PolarHBondContact O-N 2.7Å; D343-D345 WeakPolarHBondContact OD1-CB 3.34Å; D343-D345 PolarHBondContact OD1-N 2.82Å; D345-I347 VanDerWaalsContact C-N 3.3Å; D345-I347 PolarHBondContact O-N 3.25Å; D345-T348 WeakPolarHBondContact O-CB 3.26Å; D345-T348 PolarHBondContact O-N 2.97Å; D345-E349 WeakPolarHBondContact O-CB 3.17Å; D345-E349 PolarHBondContact O-N 2.84Å
346N97.1Very high95.7Very high56 Ų5658 Ų5830%0.29928%0.275SS..Hα-helixtrans-66.5-32.2175-71-44.5000112.4F341 D343 P344 C350F341-N346 HydrophobicContact CD1-CB 3.96Å; D343-N346 WeakPolarHBondContact O-CB 3.26Å; D343-N346 PolarHBondContact O-N 3.32Å; D343-N346 VanDerWaalsContact O-N 3.16Å; P344-N346 VanDerWaalsContact C-N 3.25Å; P344-N346 PolarHBondContact O-N 2.77Å; N346-C350 VanDerWaalsContact O-CB 3.26Å; N346-C350 WeakPolarHBondContact O-CB 3.25Å; N346-C350 PolarHBondContact O-N 2.76Å; N346-C350 VanDerWaalsContact O-N 3.09Å
347I98.1Very high96.5Very high3 Ų355.6 Ų55.62%0.01527%0.265CS..Hα-helixtrans-73.6-44.4175.5-56.9-171.9000109.5F341 P344 D345 E349 C350 L351 L371 F374 V375 L551F341-I347 HydrophobicContact CB-CD1 4.08Å; F341-I347 HydrophobicContact CB-CG1 3.71Å; F341-I347 HydrophobicContact CD1-CG1 3.93Å; F341-I347 HydrophobicContact CG-CG1 4.17Å; P344-I347 WeakPolarHBondContact O-CB 3.41Å; P344-I347 PolarHBondContact O-N 2.71Å; D345-I347 VanDerWaalsContact C-N 3.3Å; D345-I347 PolarHBondContact O-N 3.25Å; I347-E349 VanDerWaalsContact C-N 3.34Å; I347-E349 PolarHBondContact O-N 3.17Å; I347-C350 WeakPolarHBondContact O-CB 3.46Å; I347-C350 PolarHBondContact O-N 2.92Å; I347-L351 HydrophobicContact CG2-CD1 3.76Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 WeakPolarHBondContact O-CB 3.48Å; I347-L351 WeakPolarHBondContact O-CG 3.33Å; I347-L351 PolarHBondContact O-N 3.08Å; I347-L371 HydrophobicContact CD1-CD2 4.31Å; I347-L371 HydrophobicContact CG2-CD2 3.93Å; I347-F374 HydrophobicContact CD1-CD1 3.6Å; I347-F374 HydrophobicContact CD1-CE1 3.75Å; I347-V375 HydrophobicContact CB-CG2 3.88Å; I347-V375 HydrophobicContact CD1-CG2 4.18Å; I347-V375 HydrophobicContact CG2-CG2 3.77Å; I347-L551 HydrophobicContact CB-CD1 4.38Å; I347-L551 HydrophobicContact CD1-CD1 3.92Å; I347-L551 HydrophobicContact CG1-CD1 3.79Å; I347-L551 HydrophobicContact CG2-CD1 3.99Å; I347-L551 HydrophobicContact CG2-CD2 4.37Å
348T98.2Very high97.1Very high8 Ų847.6 Ų47.65%0.04923%0.23CC..Hα-helixtrans-56.7-47.6175.7-59.20000111.3P344 D345 L351 Q352 V375 H399 I401P344-T348 PolarHBondContact O-N 3.08Å; P344-T348 PolarHBondContact O-OG1 3.38Å; D345-T348 WeakPolarHBondContact O-CB 3.26Å; D345-T348 PolarHBondContact O-N 2.97Å; T348-L351 PolarHBondContact O-N 3.09Å; T348-Q352 WeakPolarHBondContact O-CA 3.05Å; T348-Q352 WeakPolarHBondContact O-CB 3.46Å; T348-Q352 PolarHBondContact O-N 2.65Å; T348-V375 WeakPolarHBondContact OG1-CG1 3.45Å; T348-H399 HydrophobicContact CG2-CB 3.94Å; T348-H399 WeakPolarHBondContact CG2-ND1 3.46Å; T348-I401 HydrophobicContact CG2-CD1 4.13Å
349E97.4Very high97.4Very high128 Ų12847.1 Ų47.160%0.59823%0.228SC*.Hα-helixtrans-60.5-47.6175.4-173.4-172.8-176.600111.4D345 I347 L351 Q352D345-E349 WeakPolarHBondContact O-CB 3.17Å; D345-E349 PolarHBondContact O-N 2.84Å; I347-E349 VanDerWaalsContact C-N 3.34Å; I347-E349 PolarHBondContact O-N 3.17Å; E349-L351 VanDerWaalsContact C-N 3.3Å; E349-L351 PolarHBondContact O-N 3.46Å; E349-Q352 WeakPolarHBondContact O-CB 3.49Å; E349-Q352 PolarHBondContact O-N 3.28Å
350C97.8Very high97.6Very high8 Ų844.3 Ų44.35%0.05422%0.217CC..Hα-helixtrans-58.7-40.5178.7-179.70000113F341 N346 I347 K354 C555F341-C350 HydrophobicContact CE1-CB 3.94Å; N346-C350 VanDerWaalsContact O-CB 3.26Å; N346-C350 WeakPolarHBondContact O-CB 3.25Å; N346-C350 PolarHBondContact O-N 2.76Å; N346-C350 VanDerWaalsContact O-N 3.09Å; I347-C350 WeakPolarHBondContact O-CB 3.46Å; I347-C350 PolarHBondContact O-N 2.92Å; C350-K354 WeakPolarHBondContact O-CE 3.48Å; C350-C555 HydrophobicContact CB-CB 3.91Å; C350-C555 WeakPolarHBondContact CB-SG 3.31Å; C350-C555 WeakPolarHBondContact SG-CB 3.47Å; C350-C555 CovalentContact SG-SG 2.03Å; C350-C555 PolarHBondContact SG-SG 3.11Å
351L98.4Very high97.8Very high2 Ų241.9 Ų41.91%0.0121%0.206CC..Hα-helixtrans-94.6-2.7-174.6-64.1-175.3000113.5I347 T348 E349 R353 K354 V356 I401 L551 V554I347-L351 HydrophobicContact CG2-CD1 3.76Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 WeakPolarHBondContact O-CB 3.48Å; I347-L351 WeakPolarHBondContact O-CG 3.33Å; I347-L351 PolarHBondContact O-N 3.08Å; T348-L351 PolarHBondContact O-N 3.09Å; E349-L351 VanDerWaalsContact C-N 3.3Å; E349-L351 PolarHBondContact O-N 3.46Å; L351-R353 PolarHBondContact O-N 2.82Å; L351-K354 WeakPolarHBondContact O-CB 3.13Å; L351-K354 WeakPolarHBondContact O-CG 3.3Å; L351-K354 PolarHBondContact O-N 3.14Å; L351-V356 HydrophobicContact CD2-CG2 3.9Å; L351-I401 HydrophobicContact CB-CD1 3.96Å; L351-I401 HydrophobicContact CB-CG1 4.38Å; L351-I401 HydrophobicContact CB-CG2 3.86Å; L351-I401 HydrophobicContact CD1-CG2 4.49Å; L351-I401 WeakPolarHBondContact O-CG1 3.37Å; L351-L551 HydrophobicContact CD1-CD2 4.21Å; L351-L551 HydrophobicContact CD2-CD2 3.77Å; L351-L551 HydrophobicContact CG-CD2 4Å; L351-V554 HydrophobicContact CD2-CG1 4.06Å
352Q98.1Very high97.8Very high84 Ų8442.2 Ų42.239%0.39321%0.208SC..THydrogen-bonded Turntrans-51.4130.2-177.6-169.3-179.92600111.5T348 E349 K354 H399T348-Q352 WeakPolarHBondContact O-CA 3.05Å; T348-Q352 WeakPolarHBondContact O-CB 3.46Å; T348-Q352 PolarHBondContact O-N 2.65Å; E349-Q352 WeakPolarHBondContact O-CB 3.49Å; E349-Q352 PolarHBondContact O-N 3.28Å; Q352-K354 PolarHBondContact O-N 2.64Å; Q352-H399 HydrophobicContact CG-CB 4.23Å; Q352-H399 WeakPolarHBondContact CG-O 3.44Å
353R98.2Very high97.9Very high164 Ų16437.4 Ų37.462%0.61918%0.183SC*.THydrogen-bonded Turntrans60.817.6-177.1-60.6164.2-176.8168.21.4115L351 H399 N400 N437L351-R353 PolarHBondContact O-N 2.82Å; R353-H399 PolarHBondContact N-O 2.8Å; R353-N400 CarbonylContact C-O 3.47Å; R353-N400 WeakPolarHBondContact CA-O 3.4Å; R353-N400 HydrophobicContact CG-CB 4.23Å; R353-N400 PolarHBondContact N-O 2.7Å; R353-N437 WeakPolarHBondContact O-CB 3.32Å
354K98.6Very high97.9Very high33 Ų3334 Ų3414%0.14316%0.164CC..  trans-102.2149.6179.5-56.1-171.5-171.7-66.30112.9C350 L351 Q352 L402 K436 N437 V439 V554C350-K354 WeakPolarHBondContact O-CE 3.48Å; L351-K354 WeakPolarHBondContact O-CB 3.13Å; L351-K354 WeakPolarHBondContact O-CG 3.3Å; L351-K354 PolarHBondContact O-N 3.14Å; Q352-K354 PolarHBondContact O-N 2.64Å; K354-L402 PolarHBondContact O-N 2.75Å; K354-K436 PolarHBondContact NZ-O 3.38Å; K354-N437 CarbonylContact C-O 3.58Å; K354-N437 WeakPolarHBondContact CA-O 3.47Å; K354-V439 HydrophobicContact CD-CG2 3.93Å; K354-V554 HydrophobicContact CD-CG1 3.73Å
355V98.8Very high97.9Very high43 Ų4333.3 Ų33.326%0.26116%0.158SC..EExtended strand (participates in β ladder)trans-106.8117.3165.6-173.70000108.2H357 L402 N437 V439V355-H357 WeakPolarHBondContact CG1-NE2 3.14Å; V355-L402 CarbonylContact C-O 3.37Å; V355-L402 WeakPolarHBondContact CA-O 3.47Å; V355-L402 HydrophobicContact CB-CB 4.43Å; V355-L402 HydrophobicContact CG1-CB 4.13Å; V355-L402 HydrophobicContact CG1-CD2 4.03Å; V355-L402 HydrophobicContact CG1-CG 4.25Å; V355-L402 HydrophobicContact CG2-CB 4.14Å; V355-L402 HydrophobicContact CG2-CD2 4.35Å; V355-N437 PolarHBondContact N-O 3.32Å; V355-V439 PolarHBondContact O-N 3.5Å
356V98.9Very high97.9Very high0 Ų029.4 Ų29.40%014%0.136CC..EExtended strand (participates in β ladder)trans-104.7120.3-179.9-175.10000109.3L351 L358 L402 L403 K404 V439 F550L351-V356 HydrophobicContact CD2-CG2 3.9Å; V356-L358 HydrophobicContact CG1-CD2 3.93Å; V356-L358 HydrophobicContact CG1-CG 4.38Å; V356-L402 PolarHBondContact N-O 2.94Å; V356-L403 HydrophobicContact CB-CD1 3.67Å; V356-L403 HydrophobicContact CG1-CD1 3.65Å; V356-K404 PolarHBondContact O-N 2.77Å; V356-V439 CarbonylContact C-O 3.52Å; V356-V439 WeakPolarHBondContact CA-O 3.49Å; V356-V439 HydrophobicContact CG1-CB 4.39Å; V356-V439 HydrophobicContact CG1-CG1 4.39Å; V356-V439 HydrophobicContact CG2-CB 4.19Å; V356-F550 HydrophobicContact CG1-CZ 3.94Å
357H98.9Very high98Very high24 Ų2426.7 Ų26.711%0.11112%0.122CC..EExtended strand (participates in β ladder)trans-106.7113.3177.2-62.4-100.1000110.4V355 F359 I432 V439 V440 A441V355-H357 WeakPolarHBondContact CG1-NE2 3.14Å; H357-F359 HydrophobicContact CB-CD2 4.18Å; H357-F359 HydrophobicContact CB-CE2 3.53Å; H357-F359 HydrophobicContact CB-CZ 3.9Å; H357-F359 AromaticContact ND1-CZ 3.95Å; H357-I432 HydrophobicContact CB-CD1 4.4Å; H357-V439 PolarHBondContact N-O 3.04Å; H357-V440 HydrophobicContact CB-CG2 4.38Å; H357-V440 CarbonylContact O-C 3.58Å; H357-V440 WeakPolarHBondContact O-CA 3.4Å; H357-A441 PolarHBondContact O-N 2.96Å
358L98.9Very high98Very high1 Ų126.7 Ų26.71%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-100.9110.7173.8-53.6-178.8000109.1V356 I364 W367 F368 L403 K404 Y405 R406 A441V356-L358 HydrophobicContact CG1-CD2 3.93Å; V356-L358 HydrophobicContact CG1-CG 4.38Å; L358-I364 HydrophobicContact CB-CG1 4.07Å; L358-I364 HydrophobicContact CD2-CG1 4.3Å; L358-W367 HydrophobicContact CD1-CB 4.11Å; L358-W367 HydrophobicContact CD2-CE3 4.28Å; L358-F368 HydrophobicContact CD1-CB 3.87Å; L358-L403 HydrophobicContact CD1-CD1 3.86Å; L358-L403 HydrophobicContact CG-CD1 4.02Å; L358-K404 WeakPolarHBondContact CB-O 3.35Å; L358-K404 PolarHBondContact N-O 3.42Å; L358-Y405 HydrophobicContact CB-CD2 4.27Å; L358-Y405 CarbonylContact O-C 3.3Å; L358-Y405 WeakPolarHBondContact O-CA 3.3Å; L358-R406 PolarHBondContact O-N 3.39Å; L358-A441 HydrophobicContact CD2-CB 3.6Å
359F98.6Very high98Very high10 Ų1029 Ų294%0.04413%0.132CC..EExtended strand (participates in β ladder)trans-112.9129.7178.5-64-65.7000110.9H357 R406 V425 E428 L429 I432 V440 A441 I442 A443H357-F359 HydrophobicContact CB-CD2 4.18Å; H357-F359 HydrophobicContact CB-CE2 3.53Å; H357-F359 HydrophobicContact CB-CZ 3.9Å; H357-F359 AromaticContact ND1-CZ 3.95Å; F359-R406 WeakPolarHBondContact CA-O 3.29Å; F359-R406 HydrophobicContact CD1-CB 4.07Å; F359-R406 HydrophobicContact CE1-CB 4.24Å; F359-V425 HydrophobicContact CB-CG1 3.85Å; F359-V425 HydrophobicContact CB-CG2 4.02Å; F359-V425 HydrophobicContact CD2-CG1 4.4Å; F359-V425 HydrophobicContact CG-CG1 4.21Å; F359-E428 HydrophobicContact CD1-CB 4.31Å; F359-E428 HydrophobicContact CD1-CG 4.46Å; F359-E428 HydrophobicContact CE1-CB 3.57Å; F359-E428 HydrophobicContact CE1-CG 3.87Å; F359-E428 HydrophobicContact CE2-CB 4.43Å; F359-E428 HydrophobicContact CZ-CB 3.64Å; F359-E428 HydrophobicContact CZ-CG 4.42Å; F359-L429 HydrophobicContact CD2-CD2 4.4Å; F359-L429 HydrophobicContact CE2-CD2 4.21Å; F359-I432 HydrophobicContact CE2-CD1 3.78Å; F359-I432 HydrophobicContact CZ-CD1 4Å; F359-V440 HydrophobicContact CD2-CG1 4.02Å; F359-V440 HydrophobicContact CE2-CG1 4.24Å; F359-A441 PolarHBondContact N-O 2.96Å; F359-I442 VanDerWaalsContact O-CA 3.29Å; F359-I442 WeakPolarHBondContact O-CA 3.44Å; F359-A443 PolarHBondContact O-N 3.32Å
360G97Very high98.1Very high0 Ų024 Ų240%011%0.107CC..EExtended strand (participates in β ladder)trans158.9-148.2176.100000117.7R406 C407 H408 A443G360-R406 PolarHBondContact N-O 3.34Å; G360-C407 CarbonylContact O-C 3.57Å; G360-C407 WeakPolarHBondContact O-CA 3.35Å; G360-H408 PolarHBondContact O-N 2.71Å; G360-A443 CarbonylContact C-O 3.54Å; G360-A443 WeakPolarHBondContact CA-O 3.46Å
361D96.4Very high98.1Very high0 Ų023.6 Ų23.60%011%0.105CC..SBendtrans-96.4-173.3176.456.346.3000111.8T363 I364 R365 A443 W445 S446 H447D361-T363 PolarHBondContact O-N 3.3Å; D361-T363 WeakPolarHBondContact OD1-CB 3.05Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.27Å; D361-T363 PolarHBondContact OD1-N 2.84Å; D361-T363 PolarHBondContact OD1-OG1 2.93Å; D361-I364 WeakPolarHBondContact O-CG2 3.06Å; D361-I364 PolarHBondContact O-N 3.44Å; D361-R365 PolarHBondContact O-N 2.63Å; D361-A443 PolarHBondContact N-O 2.75Å; D361-W445 PolarHBondContact OD2-N 3.48Å; D361-S446 WeakPolarHBondContact CB-OG 3.38Å; D361-S446 PolarHBondContact OD2-N 2.98Å; D361-S446 PolarHBondContact OD2-OG 3.27Å; D361-H447 WeakPolarHBondContact CB-CE1 3.28Å
362S96.8Very high98.1Very high8 Ų824.9 Ų24.96%0.05611%0.113CC..Hα-helixtrans-59.7-16.9-179.8610000113.8R365 H537S362-R365 WeakPolarHBondContact O-CB 3.4Å; S362-H537 VanDerWaalsContact CB-NE2 3.33Å; S362-H537 WeakPolarHBondContact CB-NE2 3.49Å; S362-H537 PolarHBondContact OG-CE1 3.42Å; S362-H537 PolarHBondContact OG-NE2 2.91Å
363T97.4Very high98.1Very high0 Ų026.5 Ų26.50%013%0.128CC..Hα-helixtrans-71.6-46.9178.872.50000109.4D361 R365 Q366 W445 R482 L536D361-T363 PolarHBondContact O-N 3.3Å; D361-T363 WeakPolarHBondContact OD1-CB 3.05Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.27Å; D361-T363 PolarHBondContact OD1-N 2.84Å; D361-T363 PolarHBondContact OD1-OG1 2.93Å; T363-R365 PolarHBondContact O-N 3.41Å; T363-Q366 WeakPolarHBondContact O-CB 2.99Å; T363-Q366 PolarHBondContact O-N 3.3Å; T363-W445 HydrophobicContact CG2-CZ2 3.74Å; T363-W445 PolarHBondContact OG1-NE1 2.87Å; T363-R482 PolarHBondContact O-NH1 3.23Å; T363-R482 PolarHBondContact OG1-NH1 2.66Å; T363-L536 HydrophobicContact CG2-CD1 3.99Å; T363-L536 HydrophobicContact CG2-CG 4.31Å
364I98.3Very high98.1Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-71.9-22.9-180-16172.2000111.5L358 D361 Q366 W367 Y405 A441 A443 R482L358-I364 HydrophobicContact CB-CG1 4.07Å; L358-I364 HydrophobicContact CD2-CG1 4.3Å; D361-I364 WeakPolarHBondContact O-CG2 3.06Å; D361-I364 PolarHBondContact O-N 3.44Å; I364-Q366 PolarHBondContact O-N 2.78Å; I364-W367 HydrophobicContact CD1-CD2 3.53Å; I364-W367 HydrophobicContact CD1-CE3 3.4Å; I364-W367 VanDerWaalsContact CD1-CE3 3.4Å; I364-W367 HydrophobicContact CD1-CG 4.07Å; I364-W367 HydrophobicContact CD1-CH2 4.11Å; I364-W367 HydrophobicContact CD1-CZ2 4.24Å; I364-W367 HydrophobicContact CD1-CZ3 3.7Å; I364-W367 HydrophobicContact CG1-CE3 4.45Å; I364-W367 WeakPolarHBondContact O-CB 3.43Å; I364-W367 PolarHBondContact O-N 2.85Å; I364-Y405 HydrophobicContact CG2-CD2 4.05Å; I364-Y405 HydrophobicContact CG2-CE2 3.77Å; I364-A441 HydrophobicContact CD1-CB 4.17Å; I364-A443 HydrophobicContact CB-CB 3.77Å; I364-A443 HydrophobicContact CD1-CB 4.26Å; I364-A443 HydrophobicContact CG1-CB 4.41Å; I364-A443 HydrophobicContact CG2-CB 4.41Å; I364-R482 HydrophobicContact CD1-CB 4.45Å; I364-R482 VanDerWaalsContact N-NH1 3.15Å
365R97.7Very high98Very high18 Ų1819.8 Ų19.87%0.06810%0.104CC..Hα-helixtrans-55.1-35.4168.8-174.7170.644.580.4-5.1112.3D361 S362 T363 W367 F368 E369 F392 Y405D361-R365 PolarHBondContact O-N 2.63Å; S362-R365 WeakPolarHBondContact O-CB 3.4Å; T363-R365 PolarHBondContact O-N 3.41Å; R365-W367 PolarHBondContact O-N 3.46Å; R365-F368 WeakPolarHBondContact O-CA 3.3Å; R365-F368 VanDerWaalsContact O-CB 3.27Å; R365-F368 WeakPolarHBondContact O-CB 3.48Å; R365-F368 PolarHBondContact O-N 2.87Å; R365-E369 HydrophobicContact CG-CG 4.34Å; R365-E369 IonicContact CZ-OE1 2.97Å; R365-E369 IonicContact NH1-OE1 3.76Å; R365-E369 PolarHBondContact NH1-OE1 3.46Å; R365-E369 IonicContact NH1-OE2 3.53Å; R365-E369 WeakPolarHBondContact O-CG 3.21Å; R365-E369 PolarHBondContact O-N 3.47Å; R365-F392 HydrophobicContact CG-CD2 4.45Å; R365-F392 HydrophobicContact CG-CE2 4.12Å; R365-Y405 HydrophobicContact CB-CD1 4.48Å; R365-Y405 HydrophobicContact CB-CD2 4.11Å; R365-Y405 HydrophobicContact CB-CE1 4.05Å; R365-Y405 HydrophobicContact CB-CE2 3.63Å; R365-Y405 HydrophobicContact CG-CD1 4.2Å; R365-Y405 HydrophobicContact CG-CE1 3.93Å; R365-Y405 HydrophobicContact CG-CE2 4.36Å
366Q97.7Very high98Very high27 Ų2722.6 Ų22.613%0.12612%0.123CC..Hα-helixtrans-60.2-28.4176.3-71.3-173.9-69.400113T363 I364 Y370 P538 V543T363-Q366 WeakPolarHBondContact O-CB 2.99Å; T363-Q366 PolarHBondContact O-N 3.3Å; I364-Q366 PolarHBondContact O-N 2.78Å; Q366-Y370 WeakPolarHBondContact O-CB 3.4Å; Q366-Y370 PolarHBondContact O-N 2.84Å; Q366-P538 PolarHBondContact NE2-O 3.02Å; Q366-P538 VanDerWaalsContact NE2-O 3.15Å; Q366-V543 HydrophobicContact CB-CG1 4.34Å; Q366-V543 HydrophobicContact CB-CG2 4.45Å
367W98.5Very high97.9Very high0 Ų025.9 Ų25.90%014%0.141CC..Hα-helixtrans-69.3-39.1174.3-70.912.3000111.1L358 I364 R365 L371 A441 R482 V521 Q546 L547 F550L358-W367 HydrophobicContact CD1-CB 4.11Å; L358-W367 HydrophobicContact CD2-CE3 4.28Å; I364-W367 HydrophobicContact CD1-CD2 3.53Å; I364-W367 HydrophobicContact CD1-CE3 3.4Å; I364-W367 VanDerWaalsContact CD1-CE3 3.4Å; I364-W367 HydrophobicContact CD1-CG 4.07Å; I364-W367 HydrophobicContact CD1-CH2 4.11Å; I364-W367 HydrophobicContact CD1-CZ2 4.24Å; I364-W367 HydrophobicContact CD1-CZ3 3.7Å; I364-W367 HydrophobicContact CG1-CE3 4.45Å; I364-W367 WeakPolarHBondContact O-CB 3.43Å; I364-W367 PolarHBondContact O-N 2.85Å; R365-W367 PolarHBondContact O-N 3.46Å; W367-L371 WeakPolarHBondContact O-CB 3.49Å; W367-L371 WeakPolarHBondContact O-CG 3.03Å; W367-L371 PolarHBondContact O-N 3.19Å; W367-A441 HydrophobicContact CE3-CB 4.26Å; W367-A441 HydrophobicContact CZ3-CB 3.79Å; W367-R482 HydrophobicContact CH2-CB 4.28Å; W367-R482 HydrophobicContact CH2-CG 4.45Å; W367-R482 HydrophobicContact CZ2-CB 4.31Å; W367-R482 HydrophobicContact CZ2-CG 3.99Å; W367-V521 HydrophobicContact CH2-CB 4.13Å; W367-V521 HydrophobicContact CH2-CG1 4.34Å; W367-V521 HydrophobicContact CH2-CG2 3.92Å; W367-V521 HydrophobicContact CZ2-CB 4.25Å; W367-V521 HydrophobicContact CZ2-CG1 3.99Å; W367-V521 HydrophobicContact CZ2-CG2 4.38Å; W367-Q546 HydrophobicContact CZ2-CB 3.96Å; W367-L547 HydrophobicContact CB-CD2 3.93Å; W367-L547 HydrophobicContact CB-CG 4.41Å; W367-L547 HydrophobicContact CD2-CD2 3.88Å; W367-L547 HydrophobicContact CD2-CG 4.33Å; W367-L547 HydrophobicContact CE3-CD2 4.07Å; W367-L547 HydrophobicContact CG-CD2 3.83Å; W367-L547 HydrophobicContact CG-CG 4.07Å; W367-F550 HydrophobicContact CE3-CB 4.4Å; W367-F550 HydrophobicContact CE3-CD1 4.3Å; W367-F550 HydrophobicContact CE3-CD2 4.31Å; W367-F550 HydrophobicContact CE3-CG 4.08Å; W367-F550 HydrophobicContact CH2-CB 3.8Å; W367-F550 HydrophobicContact CH2-CD2 4.2Å; W367-F550 HydrophobicContact CH2-CG 4.13Å; W367-F550 HydrophobicContact CZ3-CB 3.71Å; W367-F550 HydrophobicContact CZ3-CD1 4.19Å; W367-F550 AromaticContact CZ3-CD2 3.5Å; W367-F550 HydrophobicContact CZ3-CD2 3.5Å; W367-F550 VanDerWaalsContact CZ3-CD2 3.5Å; W367-F550 HydrophobicContact CZ3-CE2 4.15Å; W367-F550 AromaticContact CZ3-CG 3.52Å; W367-F550 HydrophobicContact CZ3-CG 3.52Å
368F98.5Very high97.8Very high2 Ų224.9 Ų24.91%0.00914%0.136CC..Hα-helixtrans-58.4-53.2172.6-175-84.2000110.4L358 R365 Y370 L371 T372 E380 F392 A394 L403L358-F368 HydrophobicContact CD1-CB 3.87Å; R365-F368 WeakPolarHBondContact O-CA 3.3Å; R365-F368 VanDerWaalsContact O-CB 3.27Å; R365-F368 WeakPolarHBondContact O-CB 3.48Å; R365-F368 PolarHBondContact O-N 2.87Å; F368-Y370 PolarHBondContact O-N 2.91Å; F368-L371 PolarHBondContact O-N 2.75Å; F368-T372 HydrophobicContact CD1-CG2 4.1Å; F368-T372 HydrophobicContact CE1-CG2 3.69Å; F368-T372 HydrophobicContact CE2-CG2 4.42Å; F368-T372 HydrophobicContact CZ-CG2 3.85Å; F368-T372 WeakPolarHBondContact O-CG2 3.36Å; F368-T372 PolarHBondContact O-N 2.7Å; F368-T372 PolarHBondContact O-OG1 2.97Å; F368-E380 HydrophobicContact CE1-CG 4.42Å; F368-E380 HydrophobicContact CZ-CG 4.37Å; F368-F392 HydrophobicContact CD1-CB 4.1Å; F368-F392 HydrophobicContact CD1-CD2 4.08Å; F368-F392 HydrophobicContact CD1-CG 4.47Å; F368-F392 HydrophobicContact CD2-CB 4.24Å; F368-F392 HydrophobicContact CE1-CB 3.56Å; F368-F392 HydrophobicContact CE1-CD2 4.18Å; F368-F392 HydrophobicContact CE1-CG 4.14Å; F368-F392 HydrophobicContact CE2-CB 3.72Å; F368-F392 HydrophobicContact CG-CB 4.43Å; F368-F392 HydrophobicContact CZ-CB 3.37Å; F368-F392 HydrophobicContact CZ-CG 4.39Å; F368-A394 HydrophobicContact CE2-CB 4.12Å; F368-A394 HydrophobicContact CZ-CB 3.8Å; F368-L403 HydrophobicContact CD2-CD1 4.49Å; F368-L403 HydrophobicContact CD2-CD2 3.69Å; F368-L403 HydrophobicContact CD2-CG 3.64Å; F368-L403 HydrophobicContact CE2-CB 4.44Å; F368-L403 HydrophobicContact CE2-CD2 3.99Å; F368-L403 HydrophobicContact CE2-CG 3.82Å; F368-L403 HydrophobicContact CG-CD2 4.28Å
369E97.7Very high97.8Very high57 Ų5729.3 Ų29.327%0.26616%0.163SC..Hα-helixtrans-61.5-41.1-176.8-67173.2163.500112.7R365 T372 T373R365-E369 HydrophobicContact CG-CG 4.34Å; R365-E369 IonicContact CZ-OE1 2.97Å; R365-E369 IonicContact NH1-OE1 3.76Å; R365-E369 PolarHBondContact NH1-OE1 3.46Å; R365-E369 IonicContact NH1-OE2 3.53Å; R365-E369 WeakPolarHBondContact O-CG 3.21Å; R365-E369 PolarHBondContact O-N 3.47Å; E369-T372 PolarHBondContact O-OG1 2.85Å; E369-T373 VanDerWaalsContact O-CB 3.27Å; E369-T373 WeakPolarHBondContact O-CB 3.25Å; E369-T373 PolarHBondContact O-N 2.87Å; E369-T373 VanDerWaalsContact O-N 3.14Å; E369-T373 PolarHBondContact O-OG1 3.48Å
370Y98.4Very high97.7Very high22 Ų2233.1 Ų33.19%0.08618%0.181CC..Hα-helixtrans-63.5-50.4175-177.9-77.2000110.7Q366 F368 T372 T373 F374 E540 V543 K544 L547Q366-Y370 WeakPolarHBondContact O-CB 3.4Å; Q366-Y370 PolarHBondContact O-N 2.84Å; F368-Y370 PolarHBondContact O-N 2.91Å; Y370-T372 PolarHBondContact O-N 2.89Å; Y370-T373 PolarHBondContact O-N 3.47Å; Y370-F374 HydrophobicContact CD1-CB 4.04Å; Y370-F374 HydrophobicContact CE1-CB 3.7Å; Y370-F374 HydrophobicContact CE1-CD1 4.11Å; Y370-F374 HydrophobicContact CE1-CD2 4.22Å; Y370-F374 AromaticContact CE1-CG 3.75Å; Y370-F374 HydrophobicContact CE1-CG 3.75Å; Y370-F374 WeakPolarHBondContact O-CB 3.47Å; Y370-F374 PolarHBondContact O-N 3.23Å; Y370-E540 HydrophobicContact CD2-CG 3.88Å; Y370-E540 HydrophobicContact CE2-CG 3.71Å; Y370-V543 HydrophobicContact CD2-CG1 4.32Å; Y370-V543 HydrophobicContact CG-CG1 4.4Å; Y370-K544 HydrophobicContact CE2-CB 3.82Å; Y370-K544 HydrophobicContact CE2-CG 4.17Å; Y370-K544 WeakPolarHBondContact OH-CG 3.31Å; Y370-L547 HydrophobicContact CD1-CD1 3.12Å; Y370-L547 HydrophobicContact CD2-CD1 4.44Å; Y370-L547 HydrophobicContact CE1-CD1 3.87Å; Y370-L547 HydrophobicContact CG-CD1 3.48Å; Y370-L547 VanDerWaalsContact CG-CD1 3.48Å
371L98.6Very high97.6Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-62.1-42.8-175.5-72.8170.2000112.2I347 W367 F368 T373 F374 V375 L378 L403 L547I347-L371 HydrophobicContact CD1-CD2 4.31Å; I347-L371 HydrophobicContact CG2-CD2 3.93Å; W367-L371 WeakPolarHBondContact O-CB 3.49Å; W367-L371 WeakPolarHBondContact O-CG 3.03Å; W367-L371 PolarHBondContact O-N 3.19Å; F368-L371 PolarHBondContact O-N 2.75Å; L371-T373 VanDerWaalsContact C-N 3.31Å; L371-T373 PolarHBondContact O-N 3.06Å; L371-F374 PolarHBondContact O-N 2.65Å; L371-V375 WeakPolarHBondContact O-CB 3.13Å; L371-V375 PolarHBondContact O-N 3.38Å; L371-L378 HydrophobicContact CB-CD2 4.19Å; L371-L403 HydrophobicContact CB-CD2 3.86Å; L371-L403 HydrophobicContact CD1-CD1 4.23Å; L371-L403 HydrophobicContact CD1-CD2 3.94Å; L371-L547 HydrophobicContact CD1-CD2 4.05Å; L371-L547 HydrophobicContact CD2-CD1 4.28Å; L371-L547 HydrophobicContact CD2-CD2 4.21Å; L371-L547 HydrophobicContact CG-CD1 4.13Å; L371-L547 HydrophobicContact CG-CD2 4.07Å
372T97.9Very high97.4Very high29 Ų2945 Ų4518%0.17824%0.239CC..Hα-helixtrans-73.6-22.5178.757.90000113.3F368 E369 Y370 L378 A394 L403F368-T372 HydrophobicContact CD1-CG2 4.1Å; F368-T372 HydrophobicContact CE1-CG2 3.69Å; F368-T372 HydrophobicContact CE2-CG2 4.42Å; F368-T372 HydrophobicContact CZ-CG2 3.85Å; F368-T372 WeakPolarHBondContact O-CG2 3.36Å; F368-T372 PolarHBondContact O-N 2.7Å; F368-T372 PolarHBondContact O-OG1 2.97Å; E369-T372 PolarHBondContact O-OG1 2.85Å; Y370-T372 PolarHBondContact O-N 2.89Å; T372-L378 HydrophobicContact CG2-CG 4.46Å; T372-A394 HydrophobicContact CG2-CB 3.47Å; T372-A394 VanDerWaalsContact CG2-CB 3.47Å; T372-L403 HydrophobicContact CG2-CD2 4.18Å
373T97.9Very high97.1Very high118 Ų11848.5 Ų48.572%0.72426%0.256SS*.Hα-helixtrans-81.4-39.7173.4-57.70000111.2E369 Y370 L371E369-T373 VanDerWaalsContact O-CB 3.27Å; E369-T373 WeakPolarHBondContact O-CB 3.25Å; E369-T373 PolarHBondContact O-N 2.87Å; E369-T373 VanDerWaalsContact O-N 3.14Å; E369-T373 PolarHBondContact O-OG1 3.48Å; Y370-T373 PolarHBondContact O-N 3.47Å; L371-T373 VanDerWaalsContact C-N 3.31Å; L371-T373 PolarHBondContact O-N 3.06Å
374F98.3Very high96.7Very high55 Ų5551.6 Ų51.624%0.24129%0.288CS..Hα-helixtrans-84.7-34.1-171.5-170.9-99.6000113.2P344 I347 Y370 L371 P376P344-F374 HydrophobicContact CB-CD1 4.29Å; P344-F374 HydrophobicContact CB-CE1 4.21Å; P344-F374 WeakPolarHBondContact CB-O 3.2Å; I347-F374 HydrophobicContact CD1-CD1 3.6Å; I347-F374 HydrophobicContact CD1-CE1 3.75Å; Y370-F374 HydrophobicContact CD1-CB 4.04Å; Y370-F374 HydrophobicContact CE1-CB 3.7Å; Y370-F374 HydrophobicContact CE1-CD1 4.11Å; Y370-F374 HydrophobicContact CE1-CD2 4.22Å; Y370-F374 AromaticContact CE1-CG 3.75Å; Y370-F374 HydrophobicContact CE1-CG 3.75Å; Y370-F374 WeakPolarHBondContact O-CB 3.47Å; Y370-F374 PolarHBondContact O-N 3.23Å; L371-F374 PolarHBondContact O-N 2.65Å; F374-P376 WeakPolarHBondContact O-CD 3.43Å
375V98.2Very high96.2Very high2 Ų253.1 Ų53.11%0.01230%0.299CS..  trans-99.7107.3-179-177.10000110P344 I347 T348 L371 D377 L378P344-V375 HydrophobicContact CB-CG2 4.47Å; I347-V375 HydrophobicContact CB-CG2 3.88Å; I347-V375 HydrophobicContact CD1-CG2 4.18Å; I347-V375 HydrophobicContact CG2-CG2 3.77Å; T348-V375 WeakPolarHBondContact OG1-CG1 3.45Å; L371-V375 WeakPolarHBondContact O-CB 3.13Å; L371-V375 PolarHBondContact O-N 3.38Å; V375-D377 PolarHBondContact O-N 3.08Å; V375-L378 HydrophobicContact CB-CB 3.99Å; V375-L378 HydrophobicContact CG1-CB 3.91Å; V375-L378 PolarHBondContact O-N 2.98Å; V375-L378 VanDerWaalsContact O-N 3.16Å
376P97.1Very high95.8Very high101 Ų10154.9 Ų54.966%0.65631%0.313SS*.THydrogen-bonded Turntrans-62.1-37.3-170.2-25.935.7000115.2F374 L378F374-P376 WeakPolarHBondContact O-CD 3.43Å; P376-L378 VanDerWaalsContact C-N 3.28Å; P376-L378 PolarHBondContact O-N 3.02Å
377D97.3Very high95.3Very high70 Ų7061.4 Ų61.437%0.37434%0.341SS..THydrogen-bonded Turntrans-78.6-10.4-178.1-74-19.5000112.7V375 V379 D396 K398 H399V375-D377 PolarHBondContact O-N 3.08Å; D377-V379 PolarHBondContact O-N 3.06Å; D377-D396 VanDerWaalsContact CB-OD2 3.31Å; D377-D396 WeakPolarHBondContact CB-OD2 3.44Å; D377-D396 WeakPolarHBondContact O-CA 3.48Å; D377-D396 WeakPolarHBondContact O-CB 3.41Å; D377-K398 IonicContact OD2-NZ 3.87Å; D377-H399 IonicContact OD2-CE1 3.41Å; D377-H399 PolarHBondContact OD2-CE1 3.23Å; D377-H399 IonicContact OD2-ND1 3.95Å
378L98Very high94.8Very high2 Ų265.7 Ų65.71%0.0136%0.364CS..  trans-89.177.6178.9-172.262.6000110.9L371 T372 V375 P376 A394 D396 I401 L403L371-L378 HydrophobicContact CB-CD2 4.19Å; T372-L378 HydrophobicContact CG2-CG 4.46Å; V375-L378 HydrophobicContact CB-CB 3.99Å; V375-L378 HydrophobicContact CG1-CB 3.91Å; V375-L378 PolarHBondContact O-N 2.98Å; V375-L378 VanDerWaalsContact O-N 3.16Å; P376-L378 VanDerWaalsContact C-N 3.28Å; P376-L378 PolarHBondContact O-N 3.02Å; L378-A394 HydrophobicContact CD1-CB 4.09Å; L378-A394 HydrophobicContact CG-CB 4Å; L378-D396 HydrophobicContact CD1-CB 4.18Å; L378-I401 HydrophobicContact CD1-CB 4.36Å; L378-I401 HydrophobicContact CD1-CG2 4.2Å; L378-L403 HydrophobicContact CD1-CB 4.26Å; L378-L403 HydrophobicContact CD2-CB 4.26Å; L378-L403 HydrophobicContact CD2-CD2 3.77Å
379V97.7Very high94.4Very high94 Ų9465.7 Ų65.757%0.5736%0.364SS*.EExtended strand (participates in β ladder)trans-86.7134.5-171-1770000111.8D377 F381 A394 V395D377-V379 PolarHBondContact O-N 3.06Å; V379-F381 PolarHBondContact O-N 2.88Å; V379-A394 CarbonylContact O-C 3.57Å; V379-A394 VanDerWaalsContact O-CA 3.22Å; V379-A394 WeakPolarHBondContact O-CA 3.44Å; V379-V395 PolarHBondContact N-O 2.77Å; V379-V395 PolarHBondContact O-N 3.07Å
380E96.4Very high94Very high90 Ų9063.1 Ų63.142%0.42135%0.353SS..EExtended strand (participates in β ladder)trans-66.5127.8175.5-168178.6161.200111.6F368 L393F368-E380 HydrophobicContact CE1-CG 4.42Å; F368-E380 HydrophobicContact CZ-CG 4.37Å; E380-L393 CarbonylContact C-O 3.51Å; E380-L393 WeakPolarHBondContact CA-O 3.44Å; E380-L393 WeakPolarHBondContact CG-O 3.2Å
381F95.2Very high93.9Very high124 Ų12463.2 Ų63.254%0.54436%0.356SS..  trans-90.2108.8168.1-175.2-89.5000108.9V379 L383 L393V379-F381 PolarHBondContact O-N 2.88Å; F381-L383 HydrophobicContact CD1-CD2 3.7Å; F381-L383 HydrophobicContact CD1-CG 4.36Å; F381-L383 HydrophobicContact CE1-CD2 3.9Å; F381-L383 PolarHBondContact O-N 2.83Å; F381-L393 HydrophobicContact CB-CB 4.38Å; F381-L393 HydrophobicContact CB-CD2 4.13Å; F381-L393 HydrophobicContact CB-CG 4.34Å; F381-L393 HydrophobicContact CD1-CD2 4.11Å; F381-L393 HydrophobicContact CG-CD2 4.33Å; F381-L393 PolarHBondContact N-O 2.99Å
382N91.8Very high93.8Very high125 Ų12563.9 Ų63.967%0.66836%0.359SS*.  trans-67.1104.8-174.6-174.2-3.7000111.8G384N382-G384 PolarHBondContact O-N 2.91Å; N382-G384 WeakPolarHBondContact OD1-CA 3.35Å; N382-G384 PolarHBondContact OD1-N 3.48Å
383L91.4Very high93.8Very high82 Ų8264.2 Ų64.243%0.42936%0.359SS..  trans-81.63.8175.6-64.4177.3000113.6F381 S385 P391 L393F381-L383 HydrophobicContact CD1-CD2 3.7Å; F381-L383 HydrophobicContact CD1-CG 4.36Å; F381-L383 HydrophobicContact CE1-CD2 3.9Å; F381-L383 PolarHBondContact O-N 2.83Å; L383-S385 PolarHBondContact O-N 2.71Å; L383-P391 HydrophobicContact CD1-CB 4.34Å; L383-P391 HydrophobicContact CD1-CG 4.13Å; L383-L393 HydrophobicContact CD1-CB 3.93Å; L383-L393 HydrophobicContact CG-CB 4.26Å
384G88.6Confident93.8Very high65 Ų6558.6 Ų58.667%0.6733%0.325SS*.SBendtrans69.314.5-17200000113.7N382N382-G384 PolarHBondContact O-N 2.91Å; N382-G384 WeakPolarHBondContact OD1-CA 3.35Å; N382-G384 PolarHBondContact OD1-N 3.48Å
385S88.4Confident93.8Very high32 Ų3258 Ų5822%0.22433%0.326CS..  trans-80.1145.7-175.7-70.40000112.1L383 K387 P391L383-S385 PolarHBondContact O-N 2.71Å; S385-K387 PolarHBondContact O-N 3.14Å; S385-P391 WeakPolarHBondContact CB-O 3.36Å; S385-P391 WeakPolarHBondContact OG-CD 3.35Å; S385-P391 PolarHBondContact OG-O 2.03Å; S385-P391 VanDerWaalsContact OG-O 3.12Å
386P89Confident93.8Very high56 Ų5658 Ų5836%0.36433%0.326SS..  trans-61.9133.4176.5-2031.1000112N388 V389 G390 F392P386-N388 PolarHBondContact O-N 2.83Å; P386-V389 HydrophobicContact CB-CB 4.08Å; P386-V389 HydrophobicContact CB-CG2 4Å; P386-V389 HydrophobicContact CG-CB 4.4Å; P386-V389 HydrophobicContact CG-CG2 4.47Å; P386-V389 PolarHBondContact O-N 3.29Å; P386-G390 PolarHBondContact O-N 3.15Å; P386-F392 WeakPolarHBondContact O-CZ 3.34Å
387K86.4Confident93.9Very high164 Ų16461.1 Ų61.171%0.71333%0.331SS*.THydrogen-bonded Turntrans-51.1-30.7-174.5-174.3175.7-179.7177.30115.8S385 F392S385-K387 PolarHBondContact O-N 3.14Å; K387-F392 WeakPolarHBondContact O-CE2 3.43Å; K387-F392 WeakPolarHBondContact O-CZ 3.29Å
388N87.9Confident93.9Very high90 Ų9065.1 Ų65.148%0.48135%0.345SS..THydrogen-bonded Turntrans-99.13.2-178.7-67.9-31.1000114P386 F414P386-N388 PolarHBondContact O-N 2.83Å; N388-F414 WeakPolarHBondContact O-CE2 3.36Å
389V89.9Confident93.9Very high2 Ų266.5 Ų66.51%0.01235%0.352CS..THydrogen-bonded Turntrans-118.5-52.5-170.5178.60000111.9P386 Y405 F414 V417P386-V389 HydrophobicContact CB-CB 4.08Å; P386-V389 HydrophobicContact CB-CG2 4Å; P386-V389 HydrophobicContact CG-CB 4.4Å; P386-V389 HydrophobicContact CG-CG2 4.47Å; P386-V389 PolarHBondContact O-N 3.29Å; V389-Y405 WeakPolarHBondContact O-CE1 3.37Å; V389-F414 HydrophobicContact CB-CD2 4.19Å; V389-F414 HydrophobicContact CG1-CD2 4.12Å; V389-F414 HydrophobicContact CG2-CB 4.28Å; V389-F414 HydrophobicContact CG2-CD2 4.11Å; V389-V417 HydrophobicContact CG1-CB 4.21Å; V389-V417 HydrophobicContact CG1-CG1 4.01Å; V389-V417 HydrophobicContact CG1-CG2 3.73Å
390G89.8Confident93.9Very high3 Ų367.1 Ų67.13%0.03135%0.352CS..  trans85.6-170.5-166.400000112.8P386P386-G390 PolarHBondContact O-N 3.15Å
391P95.5Very high94Very high23 Ų2363 Ų6315%0.14933%0.333CS..  cis-64.7155.2-1.429.6-37.4000113L383 S385 Y405 R406 E421L383-P391 HydrophobicContact CD1-CB 4.34Å; L383-P391 HydrophobicContact CD1-CG 4.13Å; S385-P391 WeakPolarHBondContact CB-O 3.36Å; S385-P391 WeakPolarHBondContact OG-CD 3.35Å; S385-P391 PolarHBondContact OG-O 2.03Å; S385-P391 VanDerWaalsContact OG-O 3.12Å; P391-Y405 CarbonylContact C-O 3.43Å; P391-Y405 VanDerWaalsContact CA-O 3.27Å; P391-Y405 WeakPolarHBondContact CA-O 3.33Å; P391-R406 HydrophobicContact CB-CG 4.33Å; P391-E421 WeakPolarHBondContact CD-OE2 3.45Å; P391-E421 WeakPolarHBondContact CG-OE2 3.28Å
392F97.3Very high94.2Very high14 Ų1459.1 Ų59.16%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-122151.9171.1-56.1-43.5000111.7R365 F368 P386 K387 K404 Y405R365-F392 HydrophobicContact CG-CD2 4.45Å; R365-F392 HydrophobicContact CG-CE2 4.12Å; F368-F392 HydrophobicContact CD1-CB 4.1Å; F368-F392 HydrophobicContact CD1-CD2 4.08Å; F368-F392 HydrophobicContact CD1-CG 4.47Å; F368-F392 HydrophobicContact CD2-CB 4.24Å; F368-F392 HydrophobicContact CE1-CB 3.56Å; F368-F392 HydrophobicContact CE1-CD2 4.18Å; F368-F392 HydrophobicContact CE1-CG 4.14Å; F368-F392 HydrophobicContact CE2-CB 3.72Å; F368-F392 HydrophobicContact CG-CB 4.43Å; F368-F392 HydrophobicContact CZ-CB 3.37Å; F368-F392 HydrophobicContact CZ-CG 4.39Å; P386-F392 WeakPolarHBondContact O-CZ 3.34Å; K387-F392 WeakPolarHBondContact O-CE2 3.43Å; K387-F392 WeakPolarHBondContact O-CZ 3.29Å; F392-K404 WeakPolarHBondContact O-CA 3.47Å; F392-Y405 HydrophobicContact CB-CD1 4.47Å; F392-Y405 AromaticContact CD2-CD1 3.55Å; F392-Y405 HydrophobicContact CD2-CD1 3.55Å; F392-Y405 HydrophobicContact CD2-CE1 4.22Å; F392-Y405 HydrophobicContact CD2-CG 4.39Å; F392-Y405 HydrophobicContact CE2-CD1 4.05Å; F392-Y405 HydrophobicContact CE2-CE1 4.26Å; F392-Y405 HydrophobicContact CG-CD1 4.22Å; F392-Y405 PolarHBondContact N-O 2.92Å; F392-Y405 PolarHBondContact O-N 2.83Å
393L98Very high94.5Very high36 Ų3653.2 Ų53.219%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-138.3130.7-179.3-173.168.7000108.2E380 F381 L383 V395 L402 L403 K404E380-L393 CarbonylContact C-O 3.51Å; E380-L393 WeakPolarHBondContact CA-O 3.44Å; E380-L393 WeakPolarHBondContact CG-O 3.2Å; F381-L393 HydrophobicContact CB-CB 4.38Å; F381-L393 HydrophobicContact CB-CD2 4.13Å; F381-L393 HydrophobicContact CB-CG 4.34Å; F381-L393 HydrophobicContact CD1-CD2 4.11Å; F381-L393 HydrophobicContact CG-CD2 4.33Å; F381-L393 PolarHBondContact N-O 2.99Å; L383-L393 HydrophobicContact CD1-CB 3.93Å; L383-L393 HydrophobicContact CG-CB 4.26Å; L393-V395 HydrophobicContact CG-CG2 4.32Å; L393-L402 HydrophobicContact CD1-CD1 3.5Å; L393-L402 HydrophobicContact CD1-CG 4.17Å; L393-L402 HydrophobicContact CG-CD1 4.2Å; L393-L403 CarbonylContact C-O 3.53Å; L393-L403 WeakPolarHBondContact CA-O 3.43Å; L393-K404 HydrophobicContact CD1-CD 4.33Å; L393-K404 HydrophobicContact CD1-CG 3.66Å
394A98.3Very high94.9Very high0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-130.5144.9168.400000110.2F368 T372 L378 V379 L403F368-A394 HydrophobicContact CE2-CB 4.12Å; F368-A394 HydrophobicContact CZ-CB 3.8Å; T372-A394 HydrophobicContact CG2-CB 3.47Å; T372-A394 VanDerWaalsContact CG2-CB 3.47Å; L378-A394 HydrophobicContact CD1-CB 4.09Å; L378-A394 HydrophobicContact CG-CB 4Å; V379-A394 CarbonylContact O-C 3.57Å; V379-A394 VanDerWaalsContact O-CA 3.22Å; V379-A394 WeakPolarHBondContact O-CA 3.44Å; A394-L403 HydrophobicContact CB-CB 4.33Å; A394-L403 PolarHBondContact N-O 2.85Å; A394-L403 PolarHBondContact O-N 3.39Å
395V98.4Very high95.3Very high43 Ų4350 Ų5026%0.26125%0.25SC..EExtended strand (participates in β ladder)trans-133.8126.3-171.1-1700000109.5V379 L393 Q397 I401 L402V379-V395 PolarHBondContact N-O 2.77Å; V379-V395 PolarHBondContact O-N 3.07Å; L393-V395 HydrophobicContact CG-CG2 4.32Å; V395-Q397 HydrophobicContact CG1-CG 3.87Å; V395-I401 WeakPolarHBondContact CA-O 3.49Å; V395-L402 HydrophobicContact CG2-CD1 3.74Å
396D98.4Very high95.7Very high2 Ų250.5 Ų50.51%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-103.9104.3159.8-178.7-28.4000107.6D377 L378 K398 H399 N400 I401D377-D396 VanDerWaalsContact CB-OD2 3.31Å; D377-D396 WeakPolarHBondContact CB-OD2 3.44Å; D377-D396 WeakPolarHBondContact O-CA 3.48Å; D377-D396 WeakPolarHBondContact O-CB 3.41Å; L378-D396 HydrophobicContact CD1-CB 4.18Å; D396-K398 WeakPolarHBondContact OD1-CB 3.48Å; D396-K398 PolarHBondContact OD1-N 2.02Å; D396-H399 VanDerWaalsContact CG-ND1 3.3Å; D396-H399 IonicContact OD1-CG 3.74Å; D396-H399 PolarHBondContact OD1-N 3.46Å; D396-H399 IonicContact OD1-ND1 3.15Å; D396-H399 PolarHBondContact OD1-ND1 3.07Å; D396-H399 VanDerWaalsContact OD1-ND1 3.15Å; D396-H399 IonicContact OD2-CE1 3.79Å; D396-H399 IonicContact OD2-CG 3.54Å; D396-H399 IonicContact OD2-ND1 2.73Å; D396-H399 PolarHBondContact OD2-ND1 2.86Å; D396-N400 CarbonylContact O-C 3.57Å; D396-N400 WeakPolarHBondContact O-CA 3.39Å; D396-N400 PolarHBondContact O-N 2.94Å; D396-I401 HydrophobicContact CB-CB 3.85Å; D396-I401 HydrophobicContact CB-CD1 4.13Å; D396-I401 HydrophobicContact CB-CG1 4.07Å; D396-I401 PolarHBondContact N-O 3.34Å; D396-I401 PolarHBondContact O-N 3.1Å
397Q97.4Very high96Very high166 Ų16648 Ų4878%0.77623%0.231SC*.THydrogen-bonded Turntrans-71.4-32.8-178-66.8-175.2-9.900112.3V395V395-Q397 HydrophobicContact CG1-CG 3.87Å
398K97.6Very high96.5Very high154 Ų15440.3 Ų40.367%0.6720%0.197SC*.THydrogen-bonded Turntrans-68.7-41-176.1178.7180164.2-162.30110.9D377 D396D377-K398 IonicContact OD2-NZ 3.87Å; D396-K398 WeakPolarHBondContact OD1-CB 3.48Å; D396-K398 PolarHBondContact OD1-N 2.02Å
399H98.2Very high96.8Very high32 Ų3236 Ų3615%0.14818%0.175CC..THydrogen-bonded Turntrans-103.22-177-51.6104.1000113.3T348 Q352 R353 D377 D396 I401T348-H399 HydrophobicContact CG2-CB 3.94Å; T348-H399 WeakPolarHBondContact CG2-ND1 3.46Å; Q352-H399 HydrophobicContact CG-CB 4.23Å; Q352-H399 WeakPolarHBondContact CG-O 3.44Å; R353-H399 PolarHBondContact N-O 2.8Å; D377-H399 IonicContact OD2-CE1 3.41Å; D377-H399 PolarHBondContact OD2-CE1 3.23Å; D377-H399 IonicContact OD2-ND1 3.95Å; D396-H399 VanDerWaalsContact CG-ND1 3.3Å; D396-H399 IonicContact OD1-CG 3.74Å; D396-H399 PolarHBondContact OD1-N 3.46Å; D396-H399 IonicContact OD1-ND1 3.15Å; D396-H399 PolarHBondContact OD1-ND1 3.07Å; D396-H399 VanDerWaalsContact OD1-ND1 3.15Å; D396-H399 IonicContact OD2-CE1 3.79Å; D396-H399 IonicContact OD2-CG 3.54Å; D396-H399 IonicContact OD2-ND1 2.73Å; D396-H399 PolarHBondContact OD2-ND1 2.86Å; H399-I401 HydrophobicContact CB-CD1 3.91Å; H399-I401 HydrophobicContact CB-CG1 3.93Å
400N98.2Very high97.1Very high106 Ų10636.1 Ų36.157%0.56718%0.175SC*.THydrogen-bonded Turntrans57.546.9-178.3-60.7-74.1000113R353 D396R353-N400 CarbonylContact C-O 3.47Å; R353-N400 WeakPolarHBondContact CA-O 3.4Å; R353-N400 HydrophobicContact CG-CB 4.23Å; R353-N400 PolarHBondContact N-O 2.7Å; D396-N400 CarbonylContact O-C 3.57Å; D396-N400 WeakPolarHBondContact O-CA 3.39Å; D396-N400 PolarHBondContact O-N 2.94Å
401I98.8Very high97.3Very high4 Ų436 Ų362%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-101.7132.3178.7-45.7174000108.7T348 L351 L378 V395 D396 H399T348-I401 HydrophobicContact CG2-CD1 4.13Å; L351-I401 HydrophobicContact CB-CD1 3.96Å; L351-I401 HydrophobicContact CB-CG1 4.38Å; L351-I401 HydrophobicContact CB-CG2 3.86Å; L351-I401 HydrophobicContact CD1-CG2 4.49Å; L351-I401 WeakPolarHBondContact O-CG1 3.37Å; L378-I401 HydrophobicContact CD1-CB 4.36Å; L378-I401 HydrophobicContact CD1-CG2 4.2Å; V395-I401 WeakPolarHBondContact CA-O 3.49Å; D396-I401 HydrophobicContact CB-CB 3.85Å; D396-I401 HydrophobicContact CB-CD1 4.13Å; D396-I401 HydrophobicContact CB-CG1 4.07Å; D396-I401 PolarHBondContact N-O 3.34Å; D396-I401 PolarHBondContact O-N 3.1Å; H399-I401 HydrophobicContact CB-CD1 3.91Å; H399-I401 HydrophobicContact CB-CG1 3.93Å
402L98.7Very high97.3Very high43 Ų4334.9 Ų34.923%0.22517%0.167CC..EExtended strand (participates in β ladder)trans-125.3114.3175.4-171.261.1000109.8K354 V355 V356 L393 V395 K404K354-L402 PolarHBondContact O-N 2.75Å; V355-L402 CarbonylContact C-O 3.37Å; V355-L402 WeakPolarHBondContact CA-O 3.47Å; V355-L402 HydrophobicContact CB-CB 4.43Å; V355-L402 HydrophobicContact CG1-CB 4.13Å; V355-L402 HydrophobicContact CG1-CD2 4.03Å; V355-L402 HydrophobicContact CG1-CG 4.25Å; V355-L402 HydrophobicContact CG2-CB 4.14Å; V355-L402 HydrophobicContact CG2-CD2 4.35Å; V356-L402 PolarHBondContact N-O 2.94Å; L393-L402 HydrophobicContact CD1-CD1 3.5Å; L393-L402 HydrophobicContact CD1-CG 4.17Å; L393-L402 HydrophobicContact CG-CD1 4.2Å; V395-L402 HydrophobicContact CG2-CD1 3.74Å; L402-K404 HydrophobicContact CG-CG 4.37Å
403L98.8Very high97.2Very high1 Ų134.9 Ų34.91%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-107.9127.6177.7179.364000109.6V356 L358 F368 L371 T372 L378 L393 A394V356-L403 HydrophobicContact CB-CD1 3.67Å; V356-L403 HydrophobicContact CG1-CD1 3.65Å; L358-L403 HydrophobicContact CD1-CD1 3.86Å; L358-L403 HydrophobicContact CG-CD1 4.02Å; F368-L403 HydrophobicContact CD2-CD1 4.49Å; F368-L403 HydrophobicContact CD2-CD2 3.69Å; F368-L403 HydrophobicContact CD2-CG 3.64Å; F368-L403 HydrophobicContact CE2-CB 4.44Å; F368-L403 HydrophobicContact CE2-CD2 3.99Å; F368-L403 HydrophobicContact CE2-CG 3.82Å; F368-L403 HydrophobicContact CG-CD2 4.28Å; L371-L403 HydrophobicContact CB-CD2 3.86Å; L371-L403 HydrophobicContact CD1-CD1 4.23Å; L371-L403 HydrophobicContact CD1-CD2 3.94Å; T372-L403 HydrophobicContact CG2-CD2 4.18Å; L378-L403 HydrophobicContact CD1-CB 4.26Å; L378-L403 HydrophobicContact CD2-CB 4.26Å; L378-L403 HydrophobicContact CD2-CD2 3.77Å; L393-L403 CarbonylContact C-O 3.53Å; L393-L403 WeakPolarHBondContact CA-O 3.43Å; A394-L403 HydrophobicContact CB-CB 4.33Å; A394-L403 PolarHBondContact N-O 2.85Å; A394-L403 PolarHBondContact O-N 3.39Å
404K98.5Very high97Very high77 Ų7734 Ų3434%0.33516%0.161SC..EExtended strand (participates in β ladder)trans-124.5136.1-178.8-59.4-176.2-179.2-178.90110V356 L358 F392 L393 L402V356-K404 PolarHBondContact O-N 2.77Å; L358-K404 WeakPolarHBondContact CB-O 3.35Å; L358-K404 PolarHBondContact N-O 3.42Å; F392-K404 WeakPolarHBondContact O-CA 3.47Å; L393-K404 HydrophobicContact CD1-CD 4.33Å; L393-K404 HydrophobicContact CD1-CG 3.66Å; L402-K404 HydrophobicContact CG-CG 4.37Å
405Y98.1Very high96.6Very high2 Ų238.5 Ų38.51%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-121.3135.6165.9163.8-98.1000110.5L358 I364 R365 V389 P391 F392L358-Y405 HydrophobicContact CB-CD2 4.27Å; L358-Y405 CarbonylContact O-C 3.3Å; L358-Y405 WeakPolarHBondContact O-CA 3.3Å; I364-Y405 HydrophobicContact CG2-CD2 4.05Å; I364-Y405 HydrophobicContact CG2-CE2 3.77Å; R365-Y405 HydrophobicContact CB-CD1 4.48Å; R365-Y405 HydrophobicContact CB-CD2 4.11Å; R365-Y405 HydrophobicContact CB-CE1 4.05Å; R365-Y405 HydrophobicContact CB-CE2 3.63Å; R365-Y405 HydrophobicContact CG-CD1 4.2Å; R365-Y405 HydrophobicContact CG-CE1 3.93Å; R365-Y405 HydrophobicContact CG-CE2 4.36Å; V389-Y405 WeakPolarHBondContact O-CE1 3.37Å; P391-Y405 CarbonylContact C-O 3.43Å; P391-Y405 VanDerWaalsContact CA-O 3.27Å; P391-Y405 WeakPolarHBondContact CA-O 3.33Å; F392-Y405 HydrophobicContact CB-CD1 4.47Å; F392-Y405 AromaticContact CD2-CD1 3.55Å; F392-Y405 HydrophobicContact CD2-CD1 3.55Å; F392-Y405 HydrophobicContact CD2-CE1 4.22Å; F392-Y405 HydrophobicContact CD2-CG 4.39Å; F392-Y405 HydrophobicContact CE2-CD1 4.05Å; F392-Y405 HydrophobicContact CE2-CE1 4.26Å; F392-Y405 HydrophobicContact CG-CD1 4.22Å; F392-Y405 PolarHBondContact N-O 2.92Å; F392-Y405 PolarHBondContact O-N 2.83Å
406R96.1Very high96.3Very high42 Ų4239.7 Ų39.716%0.15820%0.196CC..EExtended strand (participates in β ladder)trans-140.3136.8172.7-156.6168.9-151.2-165.7-1.8110.9L358 F359 G360 P391 E421 H423 E428L358-R406 PolarHBondContact O-N 3.39Å; F359-R406 WeakPolarHBondContact CA-O 3.29Å; F359-R406 HydrophobicContact CD1-CB 4.07Å; F359-R406 HydrophobicContact CE1-CB 4.24Å; G360-R406 PolarHBondContact N-O 3.34Å; P391-R406 HydrophobicContact CB-CG 4.33Å; R406-E421 IonicContact CZ-OE2 3.83Å; R406-E421 IonicContact NE-OE2 2.59Å; R406-E421 PolarHBondContact NE-OE2 3.5Å; R406-E421 IonicContact NH2-OE1 3.39Å; R406-E421 IonicContact NH2-OE2 2.76Å; R406-E421 PolarHBondContact NH2-OE2 2.96Å; R406-H423 PolarHBondContact NH1-CD2 2.9Å; R406-H423 VanDerWaalsContact NH1-CD2 3.32Å; R406-H423 PolarHBondContact NH1-CE1 3.37Å; R406-H423 VanDerWaalsContact NH1-CG 3.27Å; R406-H423 PolarHBondContact NH1-ND1 3.06Å; R406-H423 PolarHBondContact NH1-NE2 2.82Å; R406-H423 PolarHBondContact NH2-CD2 2.9Å; R406-H423 PolarHBondContact NH2-NE2 3.4Å; R406-E428 IonicContact CZ-OE2 2.64Å; R406-E428 IonicContact NH1-OE1 2.75Å; R406-E428 PolarHBondContact NH1-OE1 3.47Å; R406-E428 VanDerWaalsContact NH1-OE1 3.14Å; R406-E428 IonicContact NH1-OE2 2.82Å; R406-E428 PolarHBondContact NH1-OE2 3.01Å
407C95.8Very high96.2Very high5 Ų539.7 Ų39.73%0.03420%0.196CC..EExtended strand (participates in β ladder)trans-70.6150.6176.267.20000111.4G360 I412 F414G360-C407 CarbonylContact O-C 3.57Å; G360-C407 WeakPolarHBondContact O-CA 3.35Å; C407-I412 HydrophobicContact CB-CD1 4.02Å; C407-F414 HydrophobicContact CB-CD2 4.22Å; C407-F414 HydrophobicContact CB-CE2 3.65Å; C407-F414 HydrophobicContact CB-CZ 4.47Å
408H96.2Very high96Very high1 Ų137 Ų371%0.00518%0.182CC..PPolyproline II helixtrans-72.2153.2173.572.275.9000111.8G360 P411 I412 V425 V444 H447 F448G360-H408 PolarHBondContact O-N 2.71Å; H408-P411 PolarHBondContact CE1-O 3.45Å; H408-I412 WeakPolarHBondContact O-CD1 3.42Å; H408-V425 HydrophobicContact CB-CG2 3.72Å; H408-V444 HydrophobicContact CB-CG2 4.12Å; H408-H447 AromaticContact CD2-ND1 3.93Å; H408-H447 AromaticContact CE1-ND1 3.4Å; H408-H447 PolarHBondContact CE1-ND1 3.46Å; H408-H447 AromaticContact NE2-CE1 3.81Å; H408-H447 AromaticContact NE2-CG 3.75Å; H408-H447 AromaticContact NE2-ND1 2.85Å; H408-H447 PolarHBondContact NE2-ND1 3.01Å; H408-F448 AromaticContact CE1-CE2 3.58Å; H408-F448 AromaticContact NE2-CE2 3.96Å
409G95.4Very high95.8Very high1 Ų131.2 Ų31.21%0.0116%0.161CC..SBendtrans-63.4172.2175.800000114H423G409-H423 WeakPolarHBondContact CA-O 3.26Å; G409-H423 PolarHBondContact N-O 2.8Å
410P95.2Very high95.4Very high3 Ų333.5 Ų33.52%0.01918%0.181CC..SBendtrans-55.6147.8-174.1-26.235.2000114.7W247 L422 Y424 R459W247-P410 HydrophobicContact CD2-CB 3.3Å; W247-P410 HydrophobicContact CD2-CG 3.94Å; W247-P410 HydrophobicContact CE3-CB 3.27Å; W247-P410 HydrophobicContact CE3-CG 4.37Å; W247-P410 HydrophobicContact CG-CB 4.03Å; W247-P410 HydrophobicContact CG-CG 4.25Å; W247-P410 HydrophobicContact CH2-CB 3.65Å; W247-P410 HydrophobicContact CZ2-CB 3.7Å; W247-P410 HydrophobicContact CZ2-CG 4.34Å; W247-P410 HydrophobicContact CZ3-CB 3.44Å; W247-P410 VanDerWaalsContact CZ3-CB 3.44Å; P410-L422 HydrophobicContact CG-CB 4.41Å; P410-L422 HydrophobicContact CG-CD1 4.07Å; P410-L422 HydrophobicContact CG-CD2 3.99Å; P410-L422 HydrophobicContact CG-CG 4.39Å; P410-Y424 WeakPolarHBondContact O-CE1 3.46Å; P410-R459 PolarHBondContact O-NH2 3.28Å
411P94.4Very high95.1Very high1 Ų130.6 Ų30.61%0.00616%0.164CC..SBendcis-78.8113.22.129.9-33.1000112.3F210 V227 W247 H408 H447 F448 F451F210-P411 HydrophobicContact CE1-CB 4.44Å; F210-P411 HydrophobicContact CE2-CB 4.05Å; F210-P411 HydrophobicContact CZ-CB 3.79Å; V227-P411 HydrophobicContact CG2-CB 4.45Å; V227-P411 HydrophobicContact CG2-CG 4.18Å; W247-P411 HydrophobicContact CH2-CB 4.23Å; W247-P411 HydrophobicContact CZ3-CB 3.9Å; H408-P411 PolarHBondContact CE1-O 3.45Å; P411-H447 WeakPolarHBondContact O-CB 3.23Å; P411-F448 HydrophobicContact CG-CD1 4.33Å; P411-F448 HydrophobicContact CG-CE1 3.98Å; P411-F448 HydrophobicContact CG-CZ 4.24Å; P411-F451 HydrophobicContact CB-CE2 3.6Å; P411-F451 HydrophobicContact CB-CZ 3.75Å; P411-F451 HydrophobicContact CG-CD2 4.03Å; P411-F451 HydrophobicContact CG-CE2 3.45Å; P411-F451 VanDerWaalsContact CG-CE2 3.45Å; P411-F451 HydrophobicContact CG-CZ 3.88Å
412I95.1Very high94.7Very high0 Ų031.3 Ų31.30%017%0.168CC..  trans-108.8126.3174-172.389.6000108.4F210 H263 C407 H408 F414 V417 L422 H447F210-I412 VanDerWaalsContact CE1-O 3.28Å; F210-I412 WeakPolarHBondContact CE1-O 3.41Å; H263-I412 WeakPolarHBondContact CD2-CG2 3.45Å; H263-I412 VanDerWaalsContact NE2-CG2 3.28Å; H263-I412 WeakPolarHBondContact NE2-CG2 3.47Å; H263-I412 PolarHBondContact NE2-O 3.32Å; C407-I412 HydrophobicContact CB-CD1 4.02Å; H408-I412 WeakPolarHBondContact O-CD1 3.42Å; I412-F414 VanDerWaalsContact C-N 3.27Å; I412-F414 HydrophobicContact CD1-CD1 4.31Å; I412-F414 HydrophobicContact CD1-CD2 4.18Å; I412-F414 HydrophobicContact CD1-CE1 4.2Å; I412-F414 HydrophobicContact CD1-CE2 4.1Å; I412-F414 HydrophobicContact CD1-CG 4.31Å; I412-F414 HydrophobicContact CD1-CZ 4.11Å; I412-F414 HydrophobicContact CG1-CB 4.14Å; I412-F414 HydrophobicContact CG1-CD1 4.01Å; I412-F414 HydrophobicContact CG1-CD2 3.82Å; I412-F414 HydrophobicContact CG1-CE1 4.41Å; I412-F414 HydrophobicContact CG1-CE2 4.25Å; I412-F414 HydrophobicContact CG1-CG 3.71Å; I412-F414 PolarHBondContact O-N 3.08Å; I412-V417 HydrophobicContact CG2-CG2 4.14Å; I412-L422 HydrophobicContact CG2-CD2 3.95Å; I412-H447 WeakPolarHBondContact CD1-CE1 3.2Å; I412-H447 VanDerWaalsContact CD1-ND1 3.32Å; I412-H447 WeakPolarHBondContact CD1-ND1 3.45Å
413R94.9Very high94.5Very high14 Ų1432.1 Ų32.15%0.05317%0.17CC..  trans-91.923.9-173.6-59.9-179.2-172.8171.2-0114V208 F210 K265 H447 S449 T450 F496 N497V208-R413 HydrophobicContact CG1-CG 4.23Å; F210-R413 HydrophobicContact CE1-CB 4.49Å; F210-R413 HydrophobicContact CE1-CG 3.88Å; F210-R413 HydrophobicContact CZ-CG 3.95Å; K265-R413 HydrophobicContact CD-CB 4.15Å; R413-H447 VanDerWaalsContact CB-CD2 3.47Å; R413-H447 WeakPolarHBondContact CB-CD2 3.38Å; R413-H447 HydrophobicContact CG-CB 3.94Å; R413-H447 PolarHBondContact NE-O 2.85Å; R413-H447 VanDerWaalsContact NE-O 3.14Å; R413-H447 PolarHBondContact NH2-O 2.65Å; R413-H447 VanDerWaalsContact NH2-O 3.15Å; R413-S449 PolarHBondContact NH1-OG 3.13Å; R413-S449 VanDerWaalsContact NH1-OG 3.07Å; R413-S449 PolarHBondContact NH2-OG 3.43Å; R413-T450 PolarHBondContact NH2-OG1 2.82Å; R413-F496 PolarHBondContact NH1-O 2.69Å; R413-N497 PolarHBondContact NH1-OD1 2.9Å
414F93.4Very high94.4Very high18 Ų1832.5 Ų32.58%0.07917%0.171CC..SBendtrans-72.4175.2178.2-72.41.9000111.8K265 N388 V389 C407 I412 V417 H447K265-F414 WeakPolarHBondContact CB-O 3.28Å; K265-F414 PolarHBondContact N-O 3.42Å; K265-F414 VanDerWaalsContact N-O 3.1Å; N388-F414 WeakPolarHBondContact O-CE2 3.36Å; V389-F414 HydrophobicContact CB-CD2 4.19Å; V389-F414 HydrophobicContact CG1-CD2 4.12Å; V389-F414 HydrophobicContact CG2-CB 4.28Å; V389-F414 HydrophobicContact CG2-CD2 4.11Å; C407-F414 HydrophobicContact CB-CD2 4.22Å; C407-F414 HydrophobicContact CB-CE2 3.65Å; C407-F414 HydrophobicContact CB-CZ 4.47Å; I412-F414 VanDerWaalsContact C-N 3.27Å; I412-F414 HydrophobicContact CD1-CD1 4.31Å; I412-F414 HydrophobicContact CD1-CD2 4.18Å; I412-F414 HydrophobicContact CD1-CE1 4.2Å; I412-F414 HydrophobicContact CD1-CE2 4.1Å; I412-F414 HydrophobicContact CD1-CG 4.31Å; I412-F414 HydrophobicContact CD1-CZ 4.11Å; I412-F414 HydrophobicContact CG1-CB 4.14Å; I412-F414 HydrophobicContact CG1-CD1 4.01Å; I412-F414 HydrophobicContact CG1-CD2 3.82Å; I412-F414 HydrophobicContact CG1-CE1 4.41Å; I412-F414 HydrophobicContact CG1-CE2 4.25Å; I412-F414 HydrophobicContact CG1-CG 3.71Å; I412-F414 PolarHBondContact O-N 3.08Å; F414-V417 HydrophobicContact CB-CG2 4.05Å; F414-H447 AromaticContact CD1-CE1 3.89Å; F414-H447 AromaticContact CD1-NE2 3.88Å; F414-H447 AromaticContact CE1-CE1 3.46Å; F414-H447 VanDerWaalsContact CE1-CE1 3.46Å; F414-H447 WeakPolarHBondContact CE1-CE1 3.33Å; F414-H447 AromaticContact CE1-NE2 3.63Å
415T89.9Confident94.4Very high94 Ų9429 Ų2958%0.57716%0.156SC*.SBendtrans-66.6-105.9170.552.30000108.8F264F264-T415 WeakPolarHBondContact CA-O 3.46Å; F264-T415 WeakPolarHBondContact CB-O 3.14Å
416T94.1Very high94.4Very high68 Ų6828.9 Ų28.942%0.41716%0.156SC..EExtended strand (participates in β ladder)trans-109.3124.2-177.8-560000111T262T262-T416 HydrophobicContact CG2-CG2 3.74Å
417V94.8Very high94.5Very high1 Ų128.3 Ų28.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-115.3132.9172.3-165.20000108.3T262 H263 V389 I412 F414 E421 L422T262-V417 CarbonylContact C-O 3.54Å; T262-V417 VanDerWaalsContact CA-O 3.25Å; T262-V417 WeakPolarHBondContact CA-O 3.41Å; T262-V417 WeakPolarHBondContact CB-O 3.23Å; H263-V417 PolarHBondContact N-O 3.03Å; H263-V417 PolarHBondContact O-N 3.19Å; V389-V417 HydrophobicContact CG1-CB 4.21Å; V389-V417 HydrophobicContact CG1-CG1 4.01Å; V389-V417 HydrophobicContact CG1-CG2 3.73Å; I412-V417 HydrophobicContact CG2-CG2 4.14Å; F414-V417 HydrophobicContact CB-CG2 4.05Å; V417-E421 HydrophobicContact CG1-CB 4.08Å; V417-L422 HydrophobicContact CB-CD2 3.9Å; V417-L422 HydrophobicContact CG1-CD2 3.69Å; V417-L422 HydrophobicContact CG1-CG 4.24Å
418F93.7Very high94.6Very high111 Ų11130.1 Ų30.149%0.48716%0.164SC..EExtended strand (participates in β ladder)trans-66.6142.6171.9-71.5-70.5000110I261 T262 S420 E421 L422I261-F418 HydrophobicContact CG2-CD1 4.32Å; I261-F418 HydrophobicContact CG2-CE1 4.48Å; T262-F418 HydrophobicContact CG2-CD1 4.16Å; T262-F418 HydrophobicContact CG2-CE1 4.39Å; F418-S420 PolarHBondContact O-N 3.14Å; F418-E421 HydrophobicContact CB-CG 4.23Å; F418-E421 WeakPolarHBondContact O-CA 3.47Å; F418-E421 PolarHBondContact O-N 2.86Å; F418-L422 PolarHBondContact O-N 2.84Å
419S93.1Very high94.7Very high31 Ų3130.1 Ų30.122%0.21716%0.164CC..G310 helixtrans-63.8-28.1-178.7-620000112.1R260 I261 T262 E421 L422R260-S419 WeakPolarHBondContact CG-OG 3.39Å; R260-S419 PolarHBondContact NE-OG 3.44Å; I261-S419 PolarHBondContact O-N 3.13Å; I261-S419 PolarHBondContact O-OG 2.94Å; T262-S419 PolarHBondContact N-OG 2.89Å; T262-S419 PolarHBondContact O-OG 3.34Å; S419-E421 PolarHBondContact O-N 3.04Å; S419-L422 PolarHBondContact O-N 3.11Å
420S90.8Very high94.7Very high81 Ų8132.7 Ų32.757%0.56618%0.178SC*.G310 helixtrans-67.5-15.217159.30000113.8F418 H423F418-S420 PolarHBondContact O-N 3.14Å; S420-H423 PolarHBondContact O-CD2 2.81Å; S420-H423 VanDerWaalsContact O-CD2 3.28Å; S420-H423 PolarHBondContact O-NE2 2.92Å
421E91.4Very high94.8Very high44 Ų4435.8 Ų35.821%0.20621%0.21CC..G310 helixtrans-103.7-0178.6-62.4-53.5133.800112.9P391 R406 V417 F418 S419 H423P391-E421 WeakPolarHBondContact CD-OE2 3.45Å; P391-E421 WeakPolarHBondContact CG-OE2 3.28Å; R406-E421 IonicContact CZ-OE2 3.83Å; R406-E421 IonicContact NE-OE2 2.59Å; R406-E421 PolarHBondContact NE-OE2 3.5Å; R406-E421 IonicContact NH2-OE1 3.39Å; R406-E421 IonicContact NH2-OE2 2.76Å; R406-E421 PolarHBondContact NH2-OE2 2.96Å; V417-E421 HydrophobicContact CG1-CB 4.08Å; F418-E421 HydrophobicContact CB-CG 4.23Å; F418-E421 WeakPolarHBondContact O-CA 3.47Å; F418-E421 PolarHBondContact O-N 2.86Å; S419-E421 PolarHBondContact O-N 3.04Å; E421-H423 PolarHBondContact O-N 3Å
422L91.2Very high94.9Very high20 Ų2036.4 Ų36.411%0.10521%0.213CC..  trans-80.960.1179.6-68.7174.6000112.4H263 P410 I412 V417 F418 S419H263-L422 HydrophobicContact CB-CD1 3.37Å; H263-L422 HydrophobicContact CB-CD2 4.03Å; H263-L422 HydrophobicContact CB-CG 4.22Å; P410-L422 HydrophobicContact CG-CB 4.41Å; P410-L422 HydrophobicContact CG-CD1 4.07Å; P410-L422 HydrophobicContact CG-CD2 3.99Å; P410-L422 HydrophobicContact CG-CG 4.39Å; I412-L422 HydrophobicContact CG2-CD2 3.95Å; V417-L422 HydrophobicContact CB-CD2 3.9Å; V417-L422 HydrophobicContact CG1-CD2 3.69Å; V417-L422 HydrophobicContact CG1-CG 4.24Å; F418-L422 PolarHBondContact O-N 2.84Å; S419-L422 PolarHBondContact O-N 3.11Å
423H93.1Very high95Very high59 Ų5942.3 Ų42.327%0.27325%0.248SC..  trans-85.8134.9-179.2-70.6-109000112.1R406 G409 S420 E421 E428R406-H423 PolarHBondContact NH1-CD2 2.9Å; R406-H423 VanDerWaalsContact NH1-CD2 3.32Å; R406-H423 PolarHBondContact NH1-CE1 3.37Å; R406-H423 VanDerWaalsContact NH1-CG 3.27Å; R406-H423 PolarHBondContact NH1-ND1 3.06Å; R406-H423 PolarHBondContact NH1-NE2 2.82Å; R406-H423 PolarHBondContact NH2-CD2 2.9Å; R406-H423 PolarHBondContact NH2-NE2 3.4Å; G409-H423 WeakPolarHBondContact CA-O 3.26Å; G409-H423 PolarHBondContact N-O 2.8Å; S420-H423 PolarHBondContact O-CD2 2.81Å; S420-H423 VanDerWaalsContact O-CD2 3.28Å; S420-H423 PolarHBondContact O-NE2 2.92Å; E421-H423 PolarHBondContact O-N 3Å; H423-E428 HydrophobicContact CB-CG 3.86Å; H423-E428 WeakPolarHBondContact CB-OE1 3.45Å; H423-E428 IonicContact CE1-OE1 3.72Å; H423-E428 IonicContact CG-OE1 3.87Å; H423-E428 VanDerWaalsContact CG-OE1 3.27Å; H423-E428 IonicContact ND1-OE1 3.33Å; H423-E428 PolarHBondContact ND1-OE1 3.41Å
424Y97.4Very high95.1Very high9 Ų942.3 Ų42.34%0.03525%0.253CS..  trans-76.9135.9170.4-67.7-65.2000110.9D240 E245 P410 A426 N427 E428 R459D240-Y424 HydrophobicContact CB-CD2 3.69Å; D240-Y424 HydrophobicContact CB-CE2 3.58Å; D240-Y424 WeakPolarHBondContact OD1-CD2 3.42Å; E245-Y424 HydrophobicContact CB-CD1 4.35Å; E245-Y424 HydrophobicContact CB-CD2 4.3Å; E245-Y424 HydrophobicContact CB-CE1 3.9Å; E245-Y424 HydrophobicContact CB-CE2 3.89Å; E245-Y424 HydrophobicContact CB-CG 4.49Å; E245-Y424 HydrophobicContact CG-CD1 4.4Å; E245-Y424 HydrophobicContact CG-CE1 4.36Å; P410-Y424 WeakPolarHBondContact O-CE1 3.46Å; Y424-A426 PolarHBondContact O-N 3.02Å; Y424-A426 VanDerWaalsContact O-N 3.15Å; Y424-N427 WeakPolarHBondContact O-CB 3.45Å; Y424-N427 PolarHBondContact O-N 2.96Å; Y424-E428 PolarHBondContact O-N 2.97Å; Y424-E428 VanDerWaalsContact O-N 3.15Å; Y424-R459 VanDerWaalsContact CD1-CZ 3.43Å
425V98.4Very high95.3Very high3 Ų342.2 Ų42.22%0.01826%0.257CS..Hα-helixtrans-51.5-42.5-179.8179.20000111.3F359 H408 N427 E428 L429 I442 V444 I463F359-V425 HydrophobicContact CB-CG1 3.85Å; F359-V425 HydrophobicContact CB-CG2 4.02Å; F359-V425 HydrophobicContact CD2-CG1 4.4Å; F359-V425 HydrophobicContact CG-CG1 4.21Å; H408-V425 HydrophobicContact CB-CG2 3.72Å; V425-N427 VanDerWaalsContact C-N 3.3Å; V425-N427 PolarHBondContact O-N 3.47Å; V425-E428 PolarHBondContact O-N 3.31Å; V425-L429 HydrophobicContact CG1-CD1 3.96Å; V425-L429 HydrophobicContact CG1-CG 4.18Å; V425-L429 WeakPolarHBondContact O-CB 3.29Å; V425-L429 WeakPolarHBondContact O-CG 2.95Å; V425-L429 PolarHBondContact O-N 3.36Å; V425-I442 HydrophobicContact CG1-CD1 4.16Å; V425-I442 HydrophobicContact CG1-CG1 4.42Å; V425-I442 HydrophobicContact CG1-CG2 4.18Å; V425-V444 HydrophobicContact CG2-CG2 4.03Å; V425-I463 HydrophobicContact CB-CD1 4.02Å; V425-I463 HydrophobicContact CB-CG1 4.05Å; V425-I463 HydrophobicContact CG1-CD1 4.29Å; V425-I463 HydrophobicContact CG1-CG1 4.25Å; V425-I463 HydrophobicContact CG1-CG2 4.24Å; V425-I463 HydrophobicContact CG2-CD1 4.4Å
426A98.3Very high95.6Very high0 Ų044.7 Ų44.70%026%0.26CS..Hα-helixtrans-61-35.117800000113.5T243 Y424 N430 N462 A466T243-A426 HydrophobicContact CG2-CB 3.69Å; Y424-A426 PolarHBondContact O-N 3.02Å; Y424-A426 VanDerWaalsContact O-N 3.15Å; A426-N430 VanDerWaalsContact O-CG 3.24Å; A426-N430 PolarHBondContact O-N 3.3Å; A426-N430 PolarHBondContact O-ND2 3.19Å; A426-N430 VanDerWaalsContact O-ND2 3.13Å; A426-N462 HydrophobicContact CB-CB 4.37Å; A426-N462 WeakPolarHBondContact CB-O 3.46Å; A426-A466 HydrophobicContact CB-CB 3.92Å; A426-A466 WeakPolarHBondContact O-CB 3.11Å
427N97.4Very high95.8Very high31 Ų3144.7 Ų44.717%0.16626%0.257CS..Hα-helixtrans-71-44.5177.1-66.9-5.6000110.8D240 T243 Y424 V425 L429 N430 G431D240-N427 VanDerWaalsContact CG-ND2 3.26Å; D240-N427 PolarHBondContact OD1-ND2 2.95Å; D240-N427 PolarHBondContact OD2-ND2 2.86Å; D240-N427 VanDerWaalsContact OD2-ND2 3.14Å; T243-N427 VanDerWaalsContact CG2-OD1 3.26Å; T243-N427 WeakPolarHBondContact CG2-OD1 3.36Å; Y424-N427 WeakPolarHBondContact O-CB 3.45Å; Y424-N427 PolarHBondContact O-N 2.96Å; V425-N427 VanDerWaalsContact C-N 3.3Å; V425-N427 PolarHBondContact O-N 3.47Å; N427-L429 VanDerWaalsContact C-N 3.32Å; N427-L429 PolarHBondContact O-N 3.05Å; N427-N430 PolarHBondContact O-N 3.41Å; N427-G431 PolarHBondContact O-N 2.84Å
428E97.8Very high96Very high43 Ų4345.4 Ų45.420%0.20126%0.262CS..Hα-helixtrans-60.3-44176-62.2-62.4110.800111.3F359 R406 H423 Y424 V425 N430 G431 I432F359-E428 HydrophobicContact CD1-CB 4.31Å; F359-E428 HydrophobicContact CD1-CG 4.46Å; F359-E428 HydrophobicContact CE1-CB 3.57Å; F359-E428 HydrophobicContact CE1-CG 3.87Å; F359-E428 HydrophobicContact CE2-CB 4.43Å; F359-E428 HydrophobicContact CZ-CB 3.64Å; F359-E428 HydrophobicContact CZ-CG 4.42Å; R406-E428 IonicContact CZ-OE2 2.64Å; R406-E428 IonicContact NH1-OE1 2.75Å; R406-E428 PolarHBondContact NH1-OE1 3.47Å; R406-E428 VanDerWaalsContact NH1-OE1 3.14Å; R406-E428 IonicContact NH1-OE2 2.82Å; R406-E428 PolarHBondContact NH1-OE2 3.01Å; H423-E428 HydrophobicContact CB-CG 3.86Å; H423-E428 WeakPolarHBondContact CB-OE1 3.45Å; H423-E428 IonicContact CE1-OE1 3.72Å; H423-E428 IonicContact CG-OE1 3.87Å; H423-E428 VanDerWaalsContact CG-OE1 3.27Å; H423-E428 IonicContact ND1-OE1 3.33Å; H423-E428 PolarHBondContact ND1-OE1 3.41Å; Y424-E428 PolarHBondContact O-N 2.97Å; Y424-E428 VanDerWaalsContact O-N 3.15Å; V425-E428 PolarHBondContact O-N 3.31Å; E428-N430 VanDerWaalsContact C-N 3.29Å; E428-N430 PolarHBondContact O-N 3.09Å; E428-G431 PolarHBondContact O-N 2.78Å; E428-G431 VanDerWaalsContact O-N 3.09Å; E428-I432 PolarHBondContact O-N 3.21Å
429L98.5Very high96.3Very high0 Ų040.2 Ų40.20%024%0.239CC..Hα-helixtrans-58.7-39.7176.4-71.9173.5000111.7F359 V425 N427 G431 I432 V440 I442 I463 A466 V467 L470 R473F359-L429 HydrophobicContact CD2-CD2 4.4Å; F359-L429 HydrophobicContact CE2-CD2 4.21Å; V425-L429 HydrophobicContact CG1-CD1 3.96Å; V425-L429 HydrophobicContact CG1-CG 4.18Å; V425-L429 WeakPolarHBondContact O-CB 3.29Å; V425-L429 WeakPolarHBondContact O-CG 2.95Å; V425-L429 PolarHBondContact O-N 3.36Å; N427-L429 VanDerWaalsContact C-N 3.32Å; N427-L429 PolarHBondContact O-N 3.05Å; L429-G431 PolarHBondContact O-N 2.99Å; L429-I432 HydrophobicContact CD2-CD1 4.35Å; L429-I432 PolarHBondContact O-N 2.9Å; L429-V440 HydrophobicContact CD2-CG1 3.66Å; L429-V440 HydrophobicContact CD2-CG2 4.45Å; L429-I442 HydrophobicContact CD1-CD1 3.97Å; L429-I442 HydrophobicContact CD2-CD1 4.36Å; L429-I463 HydrophobicContact CD1-CG2 4.08Å; L429-A466 HydrophobicContact CB-CB 3.78Å; L429-A466 HydrophobicContact CD1-CB 3.88Å; L429-V467 HydrophobicContact CD1-CG2 3.73Å; L429-L470 HydrophobicContact CD2-CD2 4.09Å; L429-R473 PolarHBondContact O-NH2 3.37Å
430N96.6Very high96.5Very high56 Ų5638.7 Ų38.730%0.29923%0.229SC..Hα-helixtrans-66.1-25.6178.6-67.5-30.1000113.1A426 N427 E428A426-N430 VanDerWaalsContact O-CG 3.24Å; A426-N430 PolarHBondContact O-N 3.3Å; A426-N430 PolarHBondContact O-ND2 3.19Å; A426-N430 VanDerWaalsContact O-ND2 3.13Å; N427-N430 PolarHBondContact O-N 3.41Å; E428-N430 VanDerWaalsContact C-N 3.29Å; E428-N430 PolarHBondContact O-N 3.09Å
431G96Very high96.9Very high67 Ų6734.9 Ų34.969%0.69120%0.202SC*.THydrogen-bonded Turntrans-82-8.2176.700000114.8N427 E428 L429N427-G431 PolarHBondContact O-N 2.84Å; E428-G431 PolarHBondContact O-N 2.78Å; E428-G431 VanDerWaalsContact O-N 3.09Å; L429-G431 PolarHBondContact O-N 2.99Å
432I97.8Very high97.3Very high15 Ų1533 Ų338%0.07719%0.194CC..  trans-84.6124.4-178.4-68.9173.3000110.3H357 F359 E428 L429 G434 T438 V440 L470 R473H357-I432 HydrophobicContact CB-CD1 4.4Å; F359-I432 HydrophobicContact CE2-CD1 3.78Å; F359-I432 HydrophobicContact CZ-CD1 4Å; E428-I432 PolarHBondContact O-N 3.21Å; L429-I432 HydrophobicContact CD2-CD1 4.35Å; L429-I432 PolarHBondContact O-N 2.9Å; I432-G434 PolarHBondContact O-N 3.4Å; I432-T438 HydrophobicContact CG2-CG2 3.7Å; I432-V440 HydrophobicContact CD1-CG2 4.14Å; I432-L470 HydrophobicContact CB-CD1 4.45Å; I432-L470 HydrophobicContact CG2-CD1 3.99Å; I432-R473 VanDerWaalsContact O-CZ 3.27Å; I432-R473 PolarHBondContact O-NE 2.77Å; I432-R473 PolarHBondContact O-NH2 2.83Å
433V96.2Very high97.6Very high123 Ų12332.1 Ų32.175%0.74519%0.189SC*.  trans-60.9-46.3173.9178.30000111S474V433-S474 WeakPolarHBondContact O-CB 3.37Å; V433-S474 PolarHBondContact O-OG 2.95Å
434G97.4Very high97.8Very high14 Ų1429.4 Ų29.414%0.14418%0.176CC..  trans87.7-171.8-178.200000113.3I432 T438 T477I432-G434 PolarHBondContact O-N 3.4Å; G434-T438 PolarHBondContact O-OG1 3.2Å; G434-T477 WeakPolarHBondContact CA-OG1 3.22Å
435G97.8Very high97.7Very high17 Ų1729.1 Ų29.118%0.17518%0.175CC..SBendtrans118.4-173.8174.600000113N437 T438 K476 T477G435-N437 PolarHBondContact O-N 3.29Å; G435-T438 PolarHBondContact O-N 2.96Å; G435-K476 CarbonylContact C-O 3.32Å; G435-T477 PolarHBondContact N-OG1 2.99Å; G435-T477 WeakPolarHBondContact O-CA 3.45Å
436K97.1Very high97.6Very high146 Ų14629.2 Ų29.264%0.63518%0.176SC*.THydrogen-bonded Turntrans-58.2-20.5-173.165.6173.5-174179.10115.5K354 K476K354-K436 PolarHBondContact NZ-O 3.38Å; K436-K476 WeakPolarHBondContact CA-O 3.41Å; K436-K476 HydrophobicContact CB-CB 4.08Å; K436-K476 HydrophobicContact CB-CD 4.31Å
437N98Very high97.5Very high67 Ų6729.7 Ų29.736%0.35818%0.178SC..THydrogen-bonded Turntrans-103.85-179-69.2-9.6000112.1R353 K354 V355 G435R353-N437 WeakPolarHBondContact O-CB 3.32Å; K354-N437 CarbonylContact C-O 3.58Å; K354-N437 WeakPolarHBondContact CA-O 3.47Å; V355-N437 PolarHBondContact N-O 3.32Å; G435-N437 PolarHBondContact O-N 3.29Å
438T98.7Very high97.4Very high17 Ų1728.2 Ų28.210%0.10417%0.17CC..EExtended strand (participates in β ladder)trans-109.8127.7-179.9-56.90000109.9I432 G434 G435 V440 T477 V478I432-T438 HydrophobicContact CG2-CG2 3.7Å; G434-T438 PolarHBondContact O-OG1 3.2Å; G435-T438 PolarHBondContact O-N 2.96Å; T438-V440 HydrophobicContact CG2-CG2 4.3Å; T438-T477 HydrophobicContact CG2-CG2 4.02Å; T438-V478 PolarHBondContact O-N 3.35Å
439V98.9Very high97.2Very high1 Ų126.2 Ų26.21%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-122135.3175-176.10000108.3K354 V355 V356 H357 V478 F550 V554K354-V439 HydrophobicContact CD-CG2 3.93Å; V355-V439 PolarHBondContact O-N 3.5Å; V356-V439 CarbonylContact C-O 3.52Å; V356-V439 WeakPolarHBondContact CA-O 3.49Å; V356-V439 HydrophobicContact CG1-CB 4.39Å; V356-V439 HydrophobicContact CG1-CG1 4.39Å; V356-V439 HydrophobicContact CG2-CB 4.19Å; H357-V439 PolarHBondContact N-O 3.04Å; V439-V478 CarbonylContact C-O 3.52Å; V439-V478 WeakPolarHBondContact CA-O 3.32Å; V439-V478 HydrophobicContact CG1-CB 4.39Å; V439-V478 HydrophobicContact CG1-CG1 4.41Å; V439-V478 HydrophobicContact CG2-CB 4.43Å; V439-F550 HydrophobicContact CG1-CE2 3.62Å; V439-F550 HydrophobicContact CG1-CZ 3.56Å; V439-V554 HydrophobicContact CB-CG2 4.49Å; V439-V554 HydrophobicContact CG1-CG2 3.57Å; V439-V554 HydrophobicContact CG2-CG1 3.74Å; V439-V554 HydrophobicContact CG2-CG2 4.08Å
440V98.9Very high97Very high0 Ų026.2 Ų26.20%016%0.161CC..EExtended strand (participates in β ladder)trans-126.1127.3177.81790000108.5H357 F359 L429 I432 T438 I442 L470 T477 V478 V479 V480H357-V440 HydrophobicContact CB-CG2 4.38Å; H357-V440 CarbonylContact O-C 3.58Å; H357-V440 WeakPolarHBondContact O-CA 3.4Å; F359-V440 HydrophobicContact CD2-CG1 4.02Å; F359-V440 HydrophobicContact CE2-CG1 4.24Å; L429-V440 HydrophobicContact CD2-CG1 3.66Å; L429-V440 HydrophobicContact CD2-CG2 4.45Å; I432-V440 HydrophobicContact CD1-CG2 4.14Å; T438-V440 HydrophobicContact CG2-CG2 4.3Å; V440-I442 HydrophobicContact CG1-CD1 4.13Å; V440-I442 HydrophobicContact CG1-CG1 3.89Å; V440-L470 HydrophobicContact CG2-CD2 4.09Å; V440-T477 HydrophobicContact CG2-CG2 4.35Å; V440-V478 PolarHBondContact N-O 3.26Å; V440-V479 HydrophobicContact CB-CG2 4.32Å; V440-V479 CarbonylContact O-C 3.55Å; V440-V479 WeakPolarHBondContact O-CA 2.85Å; V440-V480 PolarHBondContact O-N 3.37Å
441A98.9Very high96.8Very high0 Ų023.6 Ų23.60%015%0.147CC..EExtended strand (participates in β ladder)trans-119.5135.5168.900000110.8H357 L358 F359 I364 W367 V480 F550H357-A441 PolarHBondContact O-N 2.96Å; L358-A441 HydrophobicContact CD2-CB 3.6Å; F359-A441 PolarHBondContact N-O 2.96Å; I364-A441 HydrophobicContact CD1-CB 4.17Å; W367-A441 HydrophobicContact CE3-CB 4.26Å; W367-A441 HydrophobicContact CZ3-CB 3.79Å; A441-V480 CarbonylContact C-O 3.53Å; A441-V480 WeakPolarHBondContact CA-O 3.41Å; A441-V480 HydrophobicContact CB-CB 4.44Å; A441-F550 HydrophobicContact CB-CD2 4.46Å; A441-F550 HydrophobicContact CB-CE2 3.98Å
442I98.9Very high96.6Very high6 Ų621.1 Ų21.13%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-126.9126.7-174.6-52.3175.4000110.1F359 V425 L429 V440 V444 I463 V467 V480 I481 R482F359-I442 VanDerWaalsContact O-CA 3.29Å; F359-I442 WeakPolarHBondContact O-CA 3.44Å; V425-I442 HydrophobicContact CG1-CD1 4.16Å; V425-I442 HydrophobicContact CG1-CG1 4.42Å; V425-I442 HydrophobicContact CG1-CG2 4.18Å; L429-I442 HydrophobicContact CD1-CD1 3.97Å; L429-I442 HydrophobicContact CD2-CD1 4.36Å; V440-I442 HydrophobicContact CG1-CD1 4.13Å; V440-I442 HydrophobicContact CG1-CG1 3.89Å; I442-V444 HydrophobicContact CG2-CG2 3.9Å; I442-I463 HydrophobicContact CD1-CG2 3.87Å; I442-I463 HydrophobicContact CG2-CG2 4.46Å; I442-V467 HydrophobicContact CD1-CG2 3.96Å; I442-V480 PolarHBondContact N-O 3.25Å; I442-I481 HydrophobicContact CB-CD1 3.93Å; I442-I481 HydrophobicContact CD1-CD1 4.05Å; I442-I481 HydrophobicContact CG1-CD1 4.32Å; I442-R482 PolarHBondContact O-N 3.49Å
443A98.2Very high96.4Very high0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-135.5107.7167.500000110.7F359 G360 D361 I364 R482F359-A443 PolarHBondContact O-N 3.32Å; G360-A443 CarbonylContact C-O 3.54Å; G360-A443 WeakPolarHBondContact CA-O 3.46Å; D361-A443 PolarHBondContact N-O 2.75Å; I364-A443 HydrophobicContact CB-CB 3.77Å; I364-A443 HydrophobicContact CD1-CB 4.26Å; I364-A443 HydrophobicContact CG1-CB 4.41Å; I364-A443 HydrophobicContact CG2-CB 4.41Å; A443-R482 HydrophobicContact CB-CB 3.98Å; A443-R482 HydrophobicContact CB-CG 4.5Å
444V97.1Very high96.1Very high2 Ų216.8 Ų16.81%0.0129%0.09CC..  trans-13299.9-177178.60000107.5H408 V425 I442 F448 Y456 R459 I463H408-V444 HydrophobicContact CB-CG2 4.12Å; V425-V444 HydrophobicContact CG2-CG2 4.03Å; I442-V444 HydrophobicContact CG2-CG2 3.9Å; V444-F448 HydrophobicContact CG1-CD2 4.16Å; V444-F448 HydrophobicContact CG1-CE2 3.44Å; V444-F448 VanDerWaalsContact CG1-CE2 3.44Å; V444-F448 HydrophobicContact CG1-CZ 4.1Å; V444-Y456 WeakPolarHBondContact O-CE2 3.29Å; V444-Y456 PolarHBondContact O-OH 2.69Å; V444-R459 HydrophobicContact CG1-CG 4.07Å; V444-I463 HydrophobicContact CB-CD1 4.49Å; V444-I463 HydrophobicContact CG2-CD1 4.12Å
445W95.6Very high95.9Very high4 Ų416.3 Ų16.32%0.0158%0.084CC..  trans-158.3-36.7177.565.4-83.9000113.9D361 T363 H447 F448 A484 N485 N502 L505 L536D361-W445 PolarHBondContact OD2-N 3.48Å; T363-W445 HydrophobicContact CG2-CZ2 3.74Å; T363-W445 PolarHBondContact OG1-NE1 2.87Å; W445-H447 PolarHBondContact O-N 3.1Å; W445-F448 PolarHBondContact O-N 3.5Å; W445-A484 HydrophobicContact CD2-CB 3.54Å; W445-A484 VanDerWaalsContact CE2-CA 3.47Å; W445-A484 HydrophobicContact CE3-CB 3.7Å; W445-A484 HydrophobicContact CG-CB 3.98Å; W445-A484 HydrophobicContact CH2-CB 4.22Å; W445-A484 HydrophobicContact CZ2-CB 4.09Å; W445-A484 HydrophobicContact CZ3-CB 4.06Å; W445-N485 HydrophobicContact CH2-CB 4.26Å; W445-N485 WeakPolarHBondContact CH2-O 3.43Å; W445-N485 HydrophobicContact CZ2-CB 3.98Å; W445-N502 HydrophobicContact CE3-CB 4.34Å; W445-N502 HydrophobicContact CZ3-CB 4.06Å; W445-N502 VanDerWaalsContact CZ3-CG 3.45Å; W445-L505 HydrophobicContact CB-CD1 4.45Å; W445-L505 WeakPolarHBondContact O-CD1 3.33Å; W445-L536 HydrophobicContact CH2-CD1 3.46Å; W445-L536 VanDerWaalsContact CH2-CD1 3.46Å; W445-L536 HydrophobicContact CZ2-CD1 3.85Å; W445-L536 HydrophobicContact CZ3-CD1 4.26Å
446S95.3Very high95.8Very high4 Ų415.6 Ų15.63%0.0288%0.076CC..THydrogen-bonded Turntrans-66.5-8.4-164.871.80000115D361D361-S446 WeakPolarHBondContact CB-OG 3.38Å; D361-S446 PolarHBondContact OD2-N 2.98Å; D361-S446 PolarHBondContact OD2-OG 3.27Å
447H95.8Very high95.8Very high10 Ų108.6 Ų8.65%0.0465%0.046CC..THydrogen-bonded Turntrans-111.5-1.4-177.1-54.8137.3000114D361 H408 P411 I412 R413 F414 W445D361-H447 WeakPolarHBondContact CB-CE1 3.28Å; H408-H447 AromaticContact CD2-ND1 3.93Å; H408-H447 AromaticContact CE1-ND1 3.4Å; H408-H447 PolarHBondContact CE1-ND1 3.46Å; H408-H447 AromaticContact NE2-CE1 3.81Å; H408-H447 AromaticContact NE2-CG 3.75Å; H408-H447 AromaticContact NE2-ND1 2.85Å; H408-H447 PolarHBondContact NE2-ND1 3.01Å; P411-H447 WeakPolarHBondContact O-CB 3.23Å; I412-H447 WeakPolarHBondContact CD1-CE1 3.2Å; I412-H447 VanDerWaalsContact CD1-ND1 3.32Å; I412-H447 WeakPolarHBondContact CD1-ND1 3.45Å; R413-H447 VanDerWaalsContact CB-CD2 3.47Å; R413-H447 WeakPolarHBondContact CB-CD2 3.38Å; R413-H447 HydrophobicContact CG-CB 3.94Å; R413-H447 PolarHBondContact NE-O 2.85Å; R413-H447 VanDerWaalsContact NE-O 3.14Å; R413-H447 PolarHBondContact NH2-O 2.65Å; R413-H447 VanDerWaalsContact NH2-O 3.15Å; F414-H447 AromaticContact CD1-CE1 3.89Å; F414-H447 AromaticContact CD1-NE2 3.88Å; F414-H447 AromaticContact CE1-CE1 3.46Å; F414-H447 VanDerWaalsContact CE1-CE1 3.46Å; F414-H447 WeakPolarHBondContact CE1-CE1 3.33Å; F414-H447 AromaticContact CE1-NE2 3.63Å; W445-H447 PolarHBondContact O-N 3.1Å
448F96.4Very high95.6Very high1 Ų17.1 Ų7.10%0.0044%0.035CC..THydrogen-bonded Turntrans-102.8-12.5-173.8-70.8-91.9000114H408 P411 V444 W445 T450 F451 V455 Y456 R459 L505H408-F448 AromaticContact CE1-CE2 3.58Å; H408-F448 AromaticContact NE2-CE2 3.96Å; P411-F448 HydrophobicContact CG-CD1 4.33Å; P411-F448 HydrophobicContact CG-CE1 3.98Å; P411-F448 HydrophobicContact CG-CZ 4.24Å; V444-F448 HydrophobicContact CG1-CD2 4.16Å; V444-F448 HydrophobicContact CG1-CE2 3.44Å; V444-F448 VanDerWaalsContact CG1-CE2 3.44Å; V444-F448 HydrophobicContact CG1-CZ 4.1Å; W445-F448 PolarHBondContact O-N 3.5Å; F448-T450 PolarHBondContact O-N 3.3Å; F448-F451 PolarHBondContact O-N 2.78Å; F448-V455 HydrophobicContact CD1-CG1 4.33Å; F448-V455 HydrophobicContact CE1-CG1 4.37Å; F448-Y456 HydrophobicContact CB-CD2 3.76Å; F448-Y456 HydrophobicContact CB-CE2 4.4Å; F448-Y456 HydrophobicContact CB-CG 4.33Å; F448-Y456 AromaticContact CD1-CD2 3.82Å; F448-Y456 HydrophobicContact CD1-CD2 3.82Å; F448-Y456 HydrophobicContact CD2-CD2 4.01Å; F448-Y456 HydrophobicContact CD2-CE2 4.23Å; F448-Y456 HydrophobicContact CE1-CD2 4.46Å; F448-Y456 AromaticContact CG-CD2 3.57Å; F448-Y456 HydrophobicContact CG-CD2 3.57Å; F448-Y456 HydrophobicContact CG-CE2 4.21Å; F448-Y456 HydrophobicContact CG-CG 4.47Å; F448-R459 HydrophobicContact CE1-CB 4.08Å; F448-R459 HydrophobicContact CE1-CG 4.09Å; F448-R459 HydrophobicContact CE2-CG 4.49Å; F448-R459 HydrophobicContact CZ-CB 4.31Å; F448-R459 HydrophobicContact CZ-CG 3.8Å; F448-L505 HydrophobicContact CB-CD1 4.1Å; F448-L505 HydrophobicContact CB-CD2 4.32Å
449S93.4Very high95.5Very high0 Ų06.6 Ų6.60%03%0.031CC..THydrogen-bonded Turntrans-55.8-19.8-173.654.50000116.7R413 F496 N497R413-S449 PolarHBondContact NH1-OG 3.13Å; R413-S449 VanDerWaalsContact NH1-OG 3.07Å; R413-S449 PolarHBondContact NH2-OG 3.43Å; S449-F496 WeakPolarHBondContact CB-O 3.48Å; S449-F496 PolarHBondContact OG-O 3.46Å; S449-N497 PolarHBondContact OG-OD1 2.79Å
450T94.1Very high95.5Very high0 Ų06.6 Ų6.60%03%0.031CC..THydrogen-bonded Turntrans-95.6-16.9177.957.10000113.6P205 R207 V208 R413 F448 F496P205-T450 VanDerWaalsContact CA-O 3.3Å; P205-T450 WeakPolarHBondContact CA-O 3.32Å; R207-T450 HydrophobicContact CG-CG2 3.96Å; R207-T450 PolarHBondContact NH1-O 3.41Å; V208-T450 HydrophobicContact CG2-CG2 3.69Å; R413-T450 PolarHBondContact NH2-OG1 2.82Å; F448-T450 PolarHBondContact O-N 3.3Å; T450-F496 HydrophobicContact CG2-CD1 4.07Å
451F93.4Very high95.4Very high2 Ų26.7 Ų6.71%0.0093%0.032CC..SBendtrans-86.2157-176.5-66.8-81.9000111Y62 Q201 P205 F210 N226 V227 P411 F448 V455Y62-F451 HydrophobicContact CE1-CD1 4.42Å; Q201-F451 VanDerWaalsContact CG-O 3.29Å; Q201-F451 WeakPolarHBondContact CG-O 3.32Å; Q201-F451 PolarHBondContact NE2-O 2.53Å; P205-F451 HydrophobicContact CB-CD1 4.42Å; F210-F451 HydrophobicContact CE2-CE2 4.49Å; F210-F451 AromaticContact CE2-CZ 3.98Å; F210-F451 HydrophobicContact CE2-CZ 3.98Å; N226-F451 WeakPolarHBondContact OD1-CE1 3.48Å; V227-F451 HydrophobicContact CB-CE1 4.03Å; V227-F451 HydrophobicContact CG2-CD1 4.18Å; V227-F451 HydrophobicContact CG2-CE1 3.61Å; V227-F451 HydrophobicContact CG2-CZ 3.94Å; P411-F451 HydrophobicContact CB-CE2 3.6Å; P411-F451 HydrophobicContact CB-CZ 3.75Å; P411-F451 HydrophobicContact CG-CD2 4.03Å; P411-F451 HydrophobicContact CG-CE2 3.45Å; P411-F451 VanDerWaalsContact CG-CE2 3.45Å; P411-F451 HydrophobicContact CG-CZ 3.88Å; F448-F451 PolarHBondContact O-N 2.78Å; F451-V455 HydrophobicContact CB-CB 4.02Å; F451-V455 HydrophobicContact CB-CG1 4.23Å; F451-V455 HydrophobicContact CB-CG2 4.19Å; F451-V455 HydrophobicContact CG-CG1 4.4Å
452P91.4Very high95.3Very high14 Ų147.6 Ų7.69%0.0914%0.036CC..  trans-57.6149.9169-21.336.9000110.1Y62 P205 E454 V455Y62-P452 HydrophobicContact CD1-CG 4.24Å; Y62-P452 HydrophobicContact CG-CG 3.96Å; P205-P452 HydrophobicContact CB-CG 4.2Å; P452-E454 WeakPolarHBondContact CB-OE2 3.31Å; P452-E454 PolarHBondContact O-N 3.24Å; P452-V455 WeakPolarHBondContact O-CB 3.47Å; P452-V455 PolarHBondContact O-N 3.07Å; P452-V455 VanDerWaalsContact O-N 3.09Å
453L92.4Very high95.3Very high12 Ų127.3 Ų7.36%0.0634%0.035CC..Hα-helixtrans-63.5-27.8-171.7-64.7174.3000112.2L82 L85 V455 Y456 I457 Q504 L505 I508L82-L453 HydrophobicContact CD2-CB 3.79Å; L82-L453 HydrophobicContact CD2-CD1 3.91Å; L85-L453 HydrophobicContact CD1-CD1 3.55Å; L453-V455 PolarHBondContact O-N 2.91Å; L453-Y456 CarbonylContact O-C 3.5Å; L453-Y456 WeakPolarHBondContact O-CA 3.47Å; L453-Y456 WeakPolarHBondContact O-CB 3.38Å; L453-Y456 PolarHBondContact O-N 3.06Å; L453-I457 WeakPolarHBondContact O-CG1 3.15Å; L453-I457 PolarHBondContact O-N 3.18Å; L453-Q504 HydrophobicContact CD2-CB 4.02Å; L453-L505 HydrophobicContact CD2-CD2 4.21Å; L453-I508 HydrophobicContact CB-CD1 4.03Å; L453-I508 HydrophobicContact CD1-CD1 4.34Å; L453-I508 HydrophobicContact CD2-CD1 3.9Å; L453-I508 HydrophobicContact CG-CD1 4.31Å
454E91.6Very high95.3Very high35 Ų359.9 Ų9.916%0.1645%0.045CC..Hα-helixtrans-56.8-37.5176.3-59.579.7-176.900111.3Y65 L82 P452 Y456 I457 R458Y65-E454 HydrophobicContact CD1-CB 3.99Å; Y65-E454 HydrophobicContact CE1-CB 3.85Å; L82-E454 HydrophobicContact CD1-CG 4.49Å; P452-E454 WeakPolarHBondContact CB-OE2 3.31Å; P452-E454 PolarHBondContact O-N 3.24Å; E454-Y456 VanDerWaalsContact C-N 3.3Å; E454-Y456 PolarHBondContact O-N 3.44Å; E454-I457 PolarHBondContact O-N 3.29Å; E454-R458 WeakPolarHBondContact O-CB 3.23Å; E454-R458 PolarHBondContact O-N 3.36Å
455V92.6Very high95.4Very high4 Ų414.9 Ų14.92%0.0246%0.063CC..Hα-helixtrans-61.9-40.9174.7-179.90000111.5Y62 Y65 V227 F448 F451 P452 L453 R459Y62-V455 HydrophobicContact CD1-CG2 4.23Å; Y65-V455 HydrophobicContact CE2-CG2 4.1Å; Y65-V455 VanDerWaalsContact OH-CA 3.28Å; Y65-V455 WeakPolarHBondContact OH-CA 3.3Å; V227-V455 HydrophobicContact CG1-CG1 4.37Å; V227-V455 HydrophobicContact CG1-CG2 4.39Å; V227-V455 HydrophobicContact CG2-CG1 4.48Å; F448-V455 HydrophobicContact CD1-CG1 4.33Å; F448-V455 HydrophobicContact CE1-CG1 4.37Å; F451-V455 HydrophobicContact CB-CB 4.02Å; F451-V455 HydrophobicContact CB-CG1 4.23Å; F451-V455 HydrophobicContact CB-CG2 4.19Å; F451-V455 HydrophobicContact CG-CG1 4.4Å; P452-V455 WeakPolarHBondContact O-CB 3.47Å; P452-V455 PolarHBondContact O-N 3.07Å; P452-V455 VanDerWaalsContact O-N 3.09Å; L453-V455 PolarHBondContact O-N 2.91Å; V455-R459 PolarHBondContact O-N 2.8Å
456Y95.8Very high95.5Very high2 Ų214.7 Ų14.71%0.0086%0.063CC..Hα-helixtrans-76.8-39.1179.1-173.2-117.5000112.5V444 F448 L453 E454 R458 R459 L460 L505 I508V444-Y456 WeakPolarHBondContact O-CE2 3.29Å; V444-Y456 PolarHBondContact O-OH 2.69Å; F448-Y456 HydrophobicContact CB-CD2 3.76Å; F448-Y456 HydrophobicContact CB-CE2 4.4Å; F448-Y456 HydrophobicContact CB-CG 4.33Å; F448-Y456 AromaticContact CD1-CD2 3.82Å; F448-Y456 HydrophobicContact CD1-CD2 3.82Å; F448-Y456 HydrophobicContact CD2-CD2 4.01Å; F448-Y456 HydrophobicContact CD2-CE2 4.23Å; F448-Y456 HydrophobicContact CE1-CD2 4.46Å; F448-Y456 AromaticContact CG-CD2 3.57Å; F448-Y456 HydrophobicContact CG-CD2 3.57Å; F448-Y456 HydrophobicContact CG-CE2 4.21Å; F448-Y456 HydrophobicContact CG-CG 4.47Å; L453-Y456 CarbonylContact O-C 3.5Å; L453-Y456 WeakPolarHBondContact O-CA 3.47Å; L453-Y456 WeakPolarHBondContact O-CB 3.38Å; L453-Y456 PolarHBondContact O-N 3.06Å; E454-Y456 VanDerWaalsContact C-N 3.3Å; E454-Y456 PolarHBondContact O-N 3.44Å; Y456-R458 VanDerWaalsContact C-N 3.35Å; Y456-R458 PolarHBondContact O-N 3.24Å; Y456-R459 WeakPolarHBondContact O-CB 3.04Å; Y456-R459 PolarHBondContact O-N 3.34Å; Y456-L460 HydrophobicContact CD1-CD1 3.86Å; Y456-L460 HydrophobicContact CD1-CG 4.31Å; Y456-L460 HydrophobicContact CD2-CG 4.33Å; Y456-L460 HydrophobicContact CE1-CD1 3.26Å; Y456-L460 HydrophobicContact CE1-CG 3.94Å; Y456-L460 HydrophobicContact CE2-CD1 4.15Å; Y456-L460 HydrophobicContact CE2-CD2 3.95Å; Y456-L460 HydrophobicContact CE2-CG 3.95Å; Y456-L460 VanDerWaalsContact CZ-CD1 3.45Å; Y456-L460 WeakPolarHBondContact O-CG 3.41Å; Y456-L460 PolarHBondContact O-N 3.28Å; Y456-L505 HydrophobicContact CD1-CB 4.17Å; Y456-L505 HydrophobicContact CD1-CD2 3.4Å; Y456-L505 HydrophobicContact CD1-CG 4.35Å; Y456-L505 HydrophobicContact CD2-CD2 4.2Å; Y456-L505 HydrophobicContact CE1-CB 3.73Å; Y456-L505 HydrophobicContact CE1-CD2 3.87Å; Y456-L505 HydrophobicContact CE1-CG 4.36Å; Y456-L505 VanDerWaalsContact CE1-O 3.26Å; Y456-L505 WeakPolarHBondContact CE1-O 3.26Å; Y456-L505 HydrophobicContact CG-CD2 3.56Å; Y456-I508 HydrophobicContact CD1-CB 4.27Å; Y456-I508 HydrophobicContact CD1-CD1 4.35Å; Y456-I508 HydrophobicContact CD1-CG2 4.09Å; Y456-I508 HydrophobicContact CE1-CB 4.28Å; Y456-I508 HydrophobicContact CE1-CG2 4.28Å
457I96.1Very high95.7Very high0 Ų014.5 Ų14.50%06%0.061CC..Hα-helixtrans-58.4-48174.4-69.1169.5000110E78 L81 L82 L453 E454 R459 L460 R461 I508 M512E78-I457 HydrophobicContact CG-CD1 4.02Å; E78-I457 HydrophobicContact CG-CG2 4.14Å; L81-I457 HydrophobicContact CB-CD1 4.06Å; L81-I457 HydrophobicContact CD1-CD1 4.35Å; L81-I457 HydrophobicContact CD1-CG1 4.22Å; L81-I457 HydrophobicContact CD1-CG2 4.02Å; L82-I457 HydrophobicContact CD2-CD1 3.9Å; L82-I457 HydrophobicContact CG-CD1 4.06Å; L453-I457 WeakPolarHBondContact O-CG1 3.15Å; L453-I457 PolarHBondContact O-N 3.18Å; E454-I457 PolarHBondContact O-N 3.29Å; I457-R459 PolarHBondContact O-N 3.47Å; I457-L460 PolarHBondContact O-N 2.78Å; I457-R461 VanDerWaalsContact CG2-NH2 3.33Å; I457-R461 VanDerWaalsContact O-CB 3.26Å; I457-R461 WeakPolarHBondContact O-CB 2.82Å; I457-R461 PolarHBondContact O-N 2.81Å; I457-I508 HydrophobicContact CD1-CD1 4.28Å; I457-I508 HydrophobicContact CG1-CD1 4.02Å; I457-I508 HydrophobicContact CG1-CG1 4.49Å; I457-I508 HydrophobicContact CG1-CG2 3.76Å; I457-M512 HydrophobicContact CG2-CE 3.96Å
458R94.6Very high95.8Very high36 Ų3616.6 Ų16.614%0.1368%0.075CC..Hα-helixtrans-56.2-49.4174.7-179.6-179.2-171.3135-1.3111.8Y65 G244 E454 Y456 L460 R461 N462Y65-R458 HydrophobicContact CE1-CB 4.34Å; Y65-R458 WeakPolarHBondContact OH-CD 3.28Å; G244-R458 PolarHBondContact O-NH2 2.78Å; E454-R458 WeakPolarHBondContact O-CB 3.23Å; E454-R458 PolarHBondContact O-N 3.36Å; Y456-R458 VanDerWaalsContact C-N 3.35Å; Y456-R458 PolarHBondContact O-N 3.24Å; R458-L460 VanDerWaalsContact C-N 3.35Å; R458-L460 PolarHBondContact O-N 2.96Å; R458-R461 PolarHBondContact O-N 3.37Å; R458-N462 PolarHBondContact O-N 2.98Å
459R96.6Very high95.9Very high5 Ų522 Ų222%0.01910%0.095CC..Hα-helixtrans-53.8-52177.9172.161.761.5-147.2-6.6111.1E245 P410 Y424 V444 F448 V455 Y456 I457 N462 I463E245-R459 VanDerWaalsContact CD-NH2 3.28Å; E245-R459 WeakPolarHBondContact OE1-CA 3.44Å; E245-R459 IonicContact OE1-CZ 2.74Å; E245-R459 IonicContact OE1-NH1 3.49Å; E245-R459 PolarHBondContact OE1-NH1 3.36Å; E245-R459 IonicContact OE1-NH2 3.06Å; E245-R459 IonicContact OE2-CZ 3.7Å; E245-R459 IonicContact OE2-NE 3.27Å; E245-R459 IonicContact OE2-NH1 3.14Å; E245-R459 PolarHBondContact OE2-NH1 2.89Å; E245-R459 IonicContact OE2-NH2 3.33Å; E245-R459 PolarHBondContact OE2-NH2 2.86Å; P410-R459 PolarHBondContact O-NH2 3.28Å; Y424-R459 VanDerWaalsContact CD1-CZ 3.43Å; V444-R459 HydrophobicContact CG1-CG 4.07Å; F448-R459 HydrophobicContact CE1-CB 4.08Å; F448-R459 HydrophobicContact CE1-CG 4.09Å; F448-R459 HydrophobicContact CE2-CG 4.49Å; F448-R459 HydrophobicContact CZ-CB 4.31Å; F448-R459 HydrophobicContact CZ-CG 3.8Å; V455-R459 PolarHBondContact O-N 2.8Å; Y456-R459 WeakPolarHBondContact O-CB 3.04Å; Y456-R459 PolarHBondContact O-N 3.34Å; I457-R459 PolarHBondContact O-N 3.47Å; R459-N462 PolarHBondContact O-N 3.12Å; R459-I463 HydrophobicContact CG-CD1 4.09Å; R459-I463 WeakPolarHBondContact O-CG1 3.29Å; R459-I463 PolarHBondContact O-N 2.9Å; R459-I463 VanDerWaalsContact O-N 3.13Å
460L98.2Very high96.1Very high2 Ų222 Ų221%0.0110%0.095CC..Hα-helixtrans-71-34.6-176.8-63.9-176.3000112.5Y456 I457 R458 N462 I463 R464 I508 L509 M512 F513Y456-L460 HydrophobicContact CD1-CD1 3.86Å; Y456-L460 HydrophobicContact CD1-CG 4.31Å; Y456-L460 HydrophobicContact CD2-CG 4.33Å; Y456-L460 HydrophobicContact CE1-CD1 3.26Å; Y456-L460 HydrophobicContact CE1-CG 3.94Å; Y456-L460 HydrophobicContact CE2-CD1 4.15Å; Y456-L460 HydrophobicContact CE2-CD2 3.95Å; Y456-L460 HydrophobicContact CE2-CG 3.95Å; Y456-L460 VanDerWaalsContact CZ-CD1 3.45Å; Y456-L460 WeakPolarHBondContact O-CG 3.41Å; Y456-L460 PolarHBondContact O-N 3.28Å; I457-L460 PolarHBondContact O-N 2.78Å; R458-L460 VanDerWaalsContact C-N 3.35Å; R458-L460 PolarHBondContact O-N 2.96Å; L460-N462 VanDerWaalsContact C-N 3.32Å; L460-N462 PolarHBondContact O-N 2.88Å; L460-I463 HydrophobicContact CD2-CD1 4.47Å; L460-I463 PolarHBondContact O-N 3.01Å; L460-R464 VanDerWaalsContact O-CB 3.31Å; L460-R464 WeakPolarHBondContact O-CB 3.46Å; L460-R464 PolarHBondContact O-N 3.36Å; L460-I508 HydrophobicContact CD1-CG2 3.93Å; L460-L509 HydrophobicContact CD1-CB 4.07Å; L460-L509 HydrophobicContact CD1-CD1 3.78Å; L460-L509 HydrophobicContact CD2-CD1 3.63Å; L460-L509 HydrophobicContact CG-CD1 4.35Å; L460-M512 HydrophobicContact CB-CB 4.44Å; L460-M512 HydrophobicContact CB-CE 4.4Å; L460-M512 HydrophobicContact CB-CG 3.82Å; L460-M512 HydrophobicContact CD1-CB 4.41Å; L460-F513 HydrophobicContact CD2-CE2 4.29Å
461R97.1Very high96.4Very high1 Ų123.2 Ų23.20%0.00410%0.102CC..Hα-helixtrans-59.2-44.5174.8-173.4-177.5-69.1132.1-0.5111.3L70 E74 E77 E78 I457 R458 R464 R465 M512L70-R461 VanDerWaalsContact CD2-NH1 3.34Å; E74-R461 PolarHBondContact O-NH2 3.38Å; E74-R461 VanDerWaalsContact O-NH2 3.14Å; E74-R461 VanDerWaalsContact OE1-CD 3.3Å; E74-R461 WeakPolarHBondContact OE1-CD 2.8Å; E77-R461 IonicContact OE2-NE 3.79Å; E78-R461 IonicContact OE2-CZ 3.23Å; E78-R461 IonicContact OE2-NH1 3.61Å; E78-R461 PolarHBondContact OE2-NH1 3.14Å; E78-R461 IonicContact OE2-NH2 2.7Å; E78-R461 PolarHBondContact OE2-NH2 2.88Å; I457-R461 VanDerWaalsContact CG2-NH2 3.33Å; I457-R461 VanDerWaalsContact O-CB 3.26Å; I457-R461 WeakPolarHBondContact O-CB 2.82Å; I457-R461 PolarHBondContact O-N 2.81Å; R458-R461 PolarHBondContact O-N 3.37Å; R461-R464 PolarHBondContact O-N 2.88Å; R461-R465 WeakPolarHBondContact O-CG 3.29Å; R461-R465 PolarHBondContact O-N 3.06Å; R461-M512 HydrophobicContact CB-CE 4.21Å; R461-M512 HydrophobicContact CB-SD 4.45Å
462N97.4Very high96.6Very high19 Ų1928.9 Ų28.910%0.10213%0.132CC..Hα-helixtrans-65-42.6176-78.3-26.7000112.5T243 E245 A426 R458 R459 L460 A466T243-N462 HydrophobicContact CG2-CB 4.41Å; T243-N462 PolarHBondContact O-ND2 3.11Å; E245-N462 PolarHBondContact OE1-ND2 3.37Å; A426-N462 HydrophobicContact CB-CB 4.37Å; A426-N462 WeakPolarHBondContact CB-O 3.46Å; R458-N462 PolarHBondContact O-N 2.98Å; R459-N462 PolarHBondContact O-N 3.12Å; L460-N462 VanDerWaalsContact C-N 3.32Å; L460-N462 PolarHBondContact O-N 2.88Å; N462-A466 PolarHBondContact O-N 2.95Å
463I98.7Very high96.9Very high1 Ų132.8 Ų32.81%0.00515%0.145CC..Hα-helixtrans-63-47.9175-65.6171.7000110.4V425 L429 I442 V444 R459 L460 R465 A466 V467 F513V425-I463 HydrophobicContact CB-CD1 4.02Å; V425-I463 HydrophobicContact CB-CG1 4.05Å; V425-I463 HydrophobicContact CG1-CD1 4.29Å; V425-I463 HydrophobicContact CG1-CG1 4.25Å; V425-I463 HydrophobicContact CG1-CG2 4.24Å; V425-I463 HydrophobicContact CG2-CD1 4.4Å; L429-I463 HydrophobicContact CD1-CG2 4.08Å; I442-I463 HydrophobicContact CD1-CG2 3.87Å; I442-I463 HydrophobicContact CG2-CG2 4.46Å; V444-I463 HydrophobicContact CB-CD1 4.49Å; V444-I463 HydrophobicContact CG2-CD1 4.12Å; R459-I463 HydrophobicContact CG-CD1 4.09Å; R459-I463 WeakPolarHBondContact O-CG1 3.29Å; R459-I463 PolarHBondContact O-N 2.9Å; R459-I463 VanDerWaalsContact O-N 3.13Å; L460-I463 HydrophobicContact CD2-CD1 4.47Å; L460-I463 PolarHBondContact O-N 3.01Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 3.1Å; I463-A466 WeakPolarHBondContact O-CB 3.42Å; I463-A466 PolarHBondContact O-N 3.41Å; I463-V467 HydrophobicContact CG2-CG2 4.26Å; I463-V467 WeakPolarHBondContact O-CG2 3.23Å; I463-V467 PolarHBondContact O-N 3.32Å; I463-F513 HydrophobicContact CB-CZ 4.4Å; I463-F513 HydrophobicContact CG2-CZ 3.85Å
464R98.4Very high97.1Very high53 Ų5333.2 Ų33.220%0.215%0.149CC..Hα-helixtrans-56.6-47.2178.6-177.2-177.674.5177.5-6.3111.6E77 L460 R461 A466 V467 V468 M512 F513 V516E77-R464 IonicContact OE1-CZ 2.72Å; E77-R464 IonicContact OE1-NH1 2.59Å; E77-R464 PolarHBondContact OE1-NH1 2.99Å; E77-R464 IonicContact OE1-NH2 3.55Å; E77-R464 PolarHBondContact OE1-NH2 2.91Å; E77-R464 IonicContact OE2-CZ 3.81Å; E77-R464 IonicContact OE2-NH1 3.39Å; E77-R464 IonicContact OE2-NH2 3.74Å; E77-R464 PolarHBondContact OE2-NH2 2.8Å; L460-R464 VanDerWaalsContact O-CB 3.31Å; L460-R464 WeakPolarHBondContact O-CB 3.46Å; L460-R464 PolarHBondContact O-N 3.36Å; R461-R464 PolarHBondContact O-N 2.88Å; R464-A466 VanDerWaalsContact C-N 3.26Å; R464-A466 PolarHBondContact O-N 3.22Å; R464-V467 WeakPolarHBondContact O-CB 3.28Å; R464-V467 PolarHBondContact O-N 2.83Å; R464-V467 VanDerWaalsContact O-N 3.13Å; R464-V468 HydrophobicContact CG-CG2 4.37Å; R464-V468 WeakPolarHBondContact O-CG2 3.36Å; R464-V468 PolarHBondContact O-N 3.42Å; R464-M512 HydrophobicContact CB-CG 4.32Å; R464-M512 WeakPolarHBondContact CD-O 3.46Å; R464-M512 VanDerWaalsContact CZ-SD 3.52Å; R464-M512 PolarHBondContact NH1-O 2.95Å; R464-F513 HydrophobicContact CB-CE1 4.13Å; R464-F513 HydrophobicContact CB-CZ 4.24Å; R464-F513 HydrophobicContact CG-CE1 4.44Å; R464-V516 HydrophobicContact CG-CG1 4.38Å; R464-V516 HydrophobicContact CG-CG2 3.95Å
465R97.7Very high97.4Very high107 Ų10736.3 Ų36.340%0.40417%0.172SC..Hα-helixtrans-57.2-38.9175.4-80177.9163.5155.1-0.7112.7E74 R461 I463 R469E74-R465 IonicContact OE1-CZ 3.24Å; E74-R465 IonicContact OE1-NH1 2.73Å; E74-R465 PolarHBondContact OE1-NH1 2.79Å; E74-R465 IonicContact OE1-NH2 2.86Å; E74-R465 PolarHBondContact OE1-NH2 3.08Å; E74-R465 IonicContact OE2-NH2 3.81Å; R461-R465 WeakPolarHBondContact O-CG 3.29Å; R461-R465 PolarHBondContact O-N 3.06Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 3.1Å; R465-R469 WeakPolarHBondContact O-CG 3.3Å; R465-R469 PolarHBondContact O-N 3.08Å; R465-R469 PolarHBondContact O-NE 3.25Å
466A98.6Very high97.6Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-73.1-35.7177.300000112.2A426 L429 N462 I463 R464 L470A426-A466 HydrophobicContact CB-CB 3.92Å; A426-A466 WeakPolarHBondContact O-CB 3.11Å; L429-A466 HydrophobicContact CB-CB 3.78Å; L429-A466 HydrophobicContact CD1-CB 3.88Å; N462-A466 PolarHBondContact O-N 2.95Å; I463-A466 WeakPolarHBondContact O-CB 3.42Å; I463-A466 PolarHBondContact O-N 3.41Å; R464-A466 VanDerWaalsContact C-N 3.26Å; R464-A466 PolarHBondContact O-N 3.22Å; A466-L470 WeakPolarHBondContact O-CB 3.44Å; A466-L470 PolarHBondContact O-N 3.01Å
467V98.8Very high97.8Very high0 Ų043.8 Ų43.80%021%0.205CC..Hα-helixtrans-63.5-49.1173.1168.70000111.2L429 I442 I463 R464 R469 L470 L471 V479 F513 V516 V518L429-V467 HydrophobicContact CD1-CG2 3.73Å; I442-V467 HydrophobicContact CD1-CG2 3.96Å; I463-V467 HydrophobicContact CG2-CG2 4.26Å; I463-V467 WeakPolarHBondContact O-CG2 3.23Å; I463-V467 PolarHBondContact O-N 3.32Å; R464-V467 WeakPolarHBondContact O-CB 3.28Å; R464-V467 PolarHBondContact O-N 2.83Å; R464-V467 VanDerWaalsContact O-N 3.13Å; V467-R469 PolarHBondContact O-N 2.95Å; V467-L470 WeakPolarHBondContact O-CA 3.26Å; V467-L470 WeakPolarHBondContact O-CB 3.11Å; V467-L470 PolarHBondContact O-N 2.8Å; V467-L471 HydrophobicContact CG1-CD1 3.94Å; V467-L471 HydrophobicContact CG1-CG 4.4Å; V467-L471 WeakPolarHBondContact O-CG 3.28Å; V467-L471 PolarHBondContact O-N 1.95Å; V467-V479 HydrophobicContact CG1-CG1 4.04Å; V467-V479 HydrophobicContact CG1-CG2 4.48Å; V467-V479 HydrophobicContact CG2-CG1 4.23Å; V467-F513 HydrophobicContact CB-CE1 4.46Å; V467-F513 HydrophobicContact CG2-CE1 4.18Å; V467-V516 HydrophobicContact CG1-CG1 3.99Å; V467-V518 HydrophobicContact CG1-CG1 3.66Å
468V98.5Very high97.9Very high55 Ų5545 Ų4533%0.33321%0.213SC..Hα-helixtrans-55.5-51.9176.6170.40000110R464 L470 L471 D472 V516R464-V468 HydrophobicContact CG-CG2 4.37Å; R464-V468 WeakPolarHBondContact O-CG2 3.36Å; R464-V468 PolarHBondContact O-N 3.42Å; V468-L470 PolarHBondContact O-N 3.16Å; V468-L470 VanDerWaalsContact O-N 3.12Å; V468-L471 PolarHBondContact O-N 2.98Å; V468-D472 WeakPolarHBondContact CG1-OD2 3.32Å; V468-D472 PolarHBondContact O-N 2.81Å; V468-V516 HydrophobicContact CG2-CG1 3.81Å
469R98.4Very high98.1Very high115 Ų11543.4 Ų43.443%0.43421%0.207SC..Hα-helixtrans-58.7-28.3175.9-74.1179.4-74.8169.2-6114.1R465 V467 R473R465-R469 WeakPolarHBondContact O-CG 3.3Å; R465-R469 PolarHBondContact O-N 3.08Å; R465-R469 PolarHBondContact O-NE 3.25Å; V467-R469 PolarHBondContact O-N 2.95Å; R469-R473 VanDerWaalsContact O-CG 3.28Å; R469-R473 WeakPolarHBondContact O-CG 3.15Å; R469-R473 PolarHBondContact O-N 3.08Å; R469-R473 PolarHBondContact O-NH1 3.13Å
470L98.7Very high98.2Very high0 Ų043.2 Ų43.20%021%0.206CC..Hα-helixtrans-75.2-42.1175.6170.460.9000111.6L429 I432 V440 A466 V467 V468 R473 S474 T477 V479L429-L470 HydrophobicContact CD2-CD2 4.09Å; I432-L470 HydrophobicContact CB-CD1 4.45Å; I432-L470 HydrophobicContact CG2-CD1 3.99Å; V440-L470 HydrophobicContact CG2-CD2 4.09Å; A466-L470 WeakPolarHBondContact O-CB 3.44Å; A466-L470 PolarHBondContact O-N 3.01Å; V467-L470 WeakPolarHBondContact O-CA 3.26Å; V467-L470 WeakPolarHBondContact O-CB 3.11Å; V467-L470 PolarHBondContact O-N 2.8Å; V468-L470 PolarHBondContact O-N 3.16Å; V468-L470 VanDerWaalsContact O-N 3.12Å; L470-R473 VanDerWaalsContact CA-CZ 3.4Å; L470-R473 WeakPolarHBondContact O-CG 3.49Å; L470-S474 WeakPolarHBondContact O-CA 3.5Å; L470-S474 WeakPolarHBondContact O-CB 3.01Å; L470-S474 PolarHBondContact O-N 2.96Å; L470-T477 HydrophobicContact CD1-CG2 4.31Å; L470-T477 HydrophobicContact CD2-CG2 4.07Å; L470-T477 HydrophobicContact CG-CG2 4.22Å; L470-V479 HydrophobicContact CD2-CG2 4.27Å
471L98.5Very high98.2Very high25 Ų2543.1 Ų43.113%0.13121%0.205CC..Hα-helixtrans-71-37.3177.3-65.6175.5000111.4V467 V468 R473 S474 P475 T477 V479 V516 V518V467-L471 HydrophobicContact CG1-CD1 3.94Å; V467-L471 HydrophobicContact CG1-CG 4.4Å; V467-L471 WeakPolarHBondContact O-CG 3.28Å; V467-L471 PolarHBondContact O-N 1.95Å; V468-L471 PolarHBondContact O-N 2.98Å; L471-R473 PolarHBondContact O-N 2.86Å; L471-S474 CarbonylContact O-C 3.55Å; L471-S474 VanDerWaalsContact O-C 3.3Å; L471-S474 PolarHBondContact O-N 2.97Å; L471-P475 WeakPolarHBondContact O-CA 3.06Å; L471-P475 WeakPolarHBondContact O-CB 3.49Å; L471-P475 WeakPolarHBondContact O-CD 3.35Å; L471-T477 WeakPolarHBondContact CD2-O 3.24Å; L471-V479 HydrophobicContact CD2-CG2 3.93Å; L471-V479 HydrophobicContact CG-CG2 4.4Å; L471-V516 WeakPolarHBondContact CD1-O 3.43Å; L471-V518 HydrophobicContact CD1-CG1 4.39Å
472D97.8Very high98.3Very high121 Ų12143.1 Ų43.165%0.64721%0.205SC*.Hα-helixtrans-61.1-46.7176-66-19.7000111.6V468V468-D472 WeakPolarHBondContact CG1-OD2 3.32Å; V468-D472 PolarHBondContact O-N 2.81Å
473R97.4Very high98.3Very high96 Ų9642.2 Ų42.236%0.36220%0.201SC..Hα-helixtrans-75.6-29.1179.673.5-176174.5-103.44.9113.4L429 I432 R469 L470 L471L429-R473 PolarHBondContact O-NH2 3.37Å; I432-R473 VanDerWaalsContact O-CZ 3.27Å; I432-R473 PolarHBondContact O-NE 2.77Å; I432-R473 PolarHBondContact O-NH2 2.83Å; R469-R473 VanDerWaalsContact O-CG 3.28Å; R469-R473 WeakPolarHBondContact O-CG 3.15Å; R469-R473 PolarHBondContact O-N 3.08Å; R469-R473 PolarHBondContact O-NH1 3.13Å; L470-R473 VanDerWaalsContact CA-CZ 3.4Å; L470-R473 WeakPolarHBondContact O-CG 3.49Å; L471-R473 PolarHBondContact O-N 2.86Å
474S98.1Very high98.2Very high20 Ų2042.2 Ų42.214%0.1420%0.201CC..  trans-145.873.7-171.3-78.30000111.1V433 L470 L471 K476 T477V433-S474 WeakPolarHBondContact O-CB 3.37Å; V433-S474 PolarHBondContact O-OG 2.95Å; L470-S474 WeakPolarHBondContact O-CA 3.5Å; L470-S474 WeakPolarHBondContact O-CB 3.01Å; L470-S474 PolarHBondContact O-N 2.96Å; L471-S474 CarbonylContact O-C 3.55Å; L471-S474 VanDerWaalsContact O-C 3.3Å; L471-S474 PolarHBondContact O-N 2.97Å; S474-K476 PolarHBondContact O-N 3.37Å; S474-K476 VanDerWaalsContact O-N 3.07Å; S474-T477 WeakPolarHBondContact CB-OG1 3.38Å; S474-T477 VanDerWaalsContact O-CB 3.31Å; S474-T477 WeakPolarHBondContact O-CB 3.46Å; S474-T477 PolarHBondContact O-N 2.76Å; S474-T477 PolarHBondContact O-OG1 3.46Å
475P97.3Very high98.1Very high101 Ų10139.7 Ų39.766%0.65619%0.191SC*.THydrogen-bonded Turntrans-67.9-15.5-169.624.3-35.2000114.3L471 T477L471-P475 WeakPolarHBondContact O-CA 3.06Å; L471-P475 WeakPolarHBondContact O-CB 3.49Å; L471-P475 WeakPolarHBondContact O-CD 3.35Å; P475-T477 VanDerWaalsContact C-N 3.26Å; P475-T477 PolarHBondContact O-N 3.49Å
476K97.5Very high97.9Very high155 Ų15534.6 Ų34.667%0.67417%0.172SC*.THydrogen-bonded Turntrans-83.12.3174.8-62.2-173.5179.9-178.30113.5G435 K436 S474G435-K476 CarbonylContact C-O 3.32Å; K436-K476 WeakPolarHBondContact CA-O 3.41Å; K436-K476 HydrophobicContact CB-CB 4.08Å; K436-K476 HydrophobicContact CB-CD 4.31Å; S474-K476 PolarHBondContact O-N 3.37Å; S474-K476 VanDerWaalsContact O-N 3.07Å
477T98.6Very high97.7Very high8 Ų836.1 Ų36.15%0.04918%0.179CC..  trans-72.3131.9175.1-50.70000109.7G434 G435 T438 V440 L470 L471 S474 P475 V479G434-T477 WeakPolarHBondContact CA-OG1 3.22Å; G435-T477 PolarHBondContact N-OG1 2.99Å; G435-T477 WeakPolarHBondContact O-CA 3.45Å; T438-T477 HydrophobicContact CG2-CG2 4.02Å; V440-T477 HydrophobicContact CG2-CG2 4.35Å; L470-T477 HydrophobicContact CD1-CG2 4.31Å; L470-T477 HydrophobicContact CD2-CG2 4.07Å; L470-T477 HydrophobicContact CG-CG2 4.22Å; L471-T477 WeakPolarHBondContact CD2-O 3.24Å; S474-T477 WeakPolarHBondContact CB-OG1 3.38Å; S474-T477 VanDerWaalsContact O-CB 3.31Å; S474-T477 WeakPolarHBondContact O-CB 3.46Å; S474-T477 PolarHBondContact O-N 2.76Å; S474-T477 PolarHBondContact O-OG1 3.46Å; P475-T477 VanDerWaalsContact C-N 3.26Å; P475-T477 PolarHBondContact O-N 3.49Å; T477-V479 HydrophobicContact CG2-CG2 4.17Å
478V98.6Very high97.5Very high26 Ų2642.4 Ų42.416%0.15821%0.208CC..EExtended strand (participates in β ladder)trans-88.3120.2173178.10000108.8T438 V439 V440 V480 Y519 V554T438-V478 PolarHBondContact O-N 3.35Å; V439-V478 CarbonylContact C-O 3.52Å; V439-V478 WeakPolarHBondContact CA-O 3.32Å; V439-V478 HydrophobicContact CG1-CB 4.39Å; V439-V478 HydrophobicContact CG1-CG1 4.41Å; V439-V478 HydrophobicContact CG2-CB 4.43Å; V440-V478 PolarHBondContact N-O 3.26Å; V478-V480 HydrophobicContact CG1-CG2 3.96Å; V478-Y519 HydrophobicContact CG1-CD2 3.99Å; V478-Y519 HydrophobicContact CG1-CE2 4.09Å; V478-V554 HydrophobicContact CG1-CG2 4.14Å
479V98.8Very high97.4Very high2 Ų240.6 Ų40.61%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-116.4124.6175.4-176.90000109.5V440 V467 L470 L471 T477 I481 V518 Y519V440-V479 HydrophobicContact CB-CG2 4.32Å; V440-V479 CarbonylContact O-C 3.55Å; V440-V479 WeakPolarHBondContact O-CA 2.85Å; V467-V479 HydrophobicContact CG1-CG1 4.04Å; V467-V479 HydrophobicContact CG1-CG2 4.48Å; V467-V479 HydrophobicContact CG2-CG1 4.23Å; L470-V479 HydrophobicContact CD2-CG2 4.27Å; L471-V479 HydrophobicContact CD2-CG2 3.93Å; L471-V479 HydrophobicContact CG-CG2 4.4Å; T477-V479 HydrophobicContact CG2-CG2 4.17Å; V479-I481 HydrophobicContact CG1-CD1 4.41Å; V479-V518 HydrophobicContact CB-CG1 4.01Å; V479-V518 HydrophobicContact CG1-CB 4.44Å; V479-V518 HydrophobicContact CG1-CG1 3.82Å; V479-Y519 PolarHBondContact O-N 2.8Å
480V98.8Very high97.3Very high0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-120.4124.8-178.5-172.40000109.8V440 A441 I442 V478 Y519 V521 F550 F553V440-V480 PolarHBondContact O-N 3.37Å; A441-V480 CarbonylContact C-O 3.53Å; A441-V480 WeakPolarHBondContact CA-O 3.41Å; A441-V480 HydrophobicContact CB-CB 4.44Å; I442-V480 PolarHBondContact N-O 3.25Å; V478-V480 HydrophobicContact CG1-CG2 3.96Å; V480-Y519 CarbonylContact C-O 3.56Å; V480-Y519 WeakPolarHBondContact CA-O 3.34Å; V480-V521 HydrophobicContact CG1-CG2 3.72Å; V480-F550 HydrophobicContact CB-CD2 3.98Å; V480-F550 HydrophobicContact CB-CE2 4.27Å; V480-F550 HydrophobicContact CG1-CD2 4.09Å; V480-F550 HydrophobicContact CG2-CD2 3.72Å; V480-F550 HydrophobicContact CG2-CE2 3.9Å; V480-F553 HydrophobicContact CG1-CD2 4.4Å
481I98.7Very high97.1Very high1 Ų138.9 Ų38.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-97.6134.2172.3-54.5-55.9000108.1I442 V479 L509 F513 V518 Y519 L520 V521I442-I481 HydrophobicContact CB-CD1 3.93Å; I442-I481 HydrophobicContact CD1-CD1 4.05Å; I442-I481 HydrophobicContact CG1-CD1 4.32Å; V479-I481 HydrophobicContact CG1-CD1 4.41Å; I481-L509 HydrophobicContact CG2-CD1 3.87Å; I481-L509 HydrophobicContact CG2-CD2 3.83Å; I481-L509 HydrophobicContact CG2-CG 3.91Å; I481-F513 HydrophobicContact CD1-CD1 4.02Å; I481-F513 HydrophobicContact CD1-CE1 3.81Å; I481-F513 HydrophobicContact CD1-CE2 4.36Å; I481-F513 HydrophobicContact CD1-CG 4.38Å; I481-F513 HydrophobicContact CD1-CZ 4Å; I481-F513 HydrophobicContact CG1-CB 4.42Å; I481-F513 HydrophobicContact CG1-CD1 3.89Å; I481-F513 HydrophobicContact CG1-CD2 4.3Å; I481-F513 HydrophobicContact CG1-CE1 4.21Å; I481-F513 HydrophobicContact CG1-CG 3.94Å; I481-F513 HydrophobicContact CG2-CD2 4.38Å; I481-V518 HydrophobicContact CG1-CB 4.15Å; I481-V518 HydrophobicContact CG1-CG2 3.77Å; I481-Y519 PolarHBondContact N-O 2.92Å; I481-L520 HydrophobicContact CB-CD1 3.93Å; I481-L520 HydrophobicContact CG2-CD1 3.95Å; I481-L520 CarbonylContact O-C 3.55Å; I481-L520 WeakPolarHBondContact O-CA 3.14Å; I481-V521 PolarHBondContact O-N 3.02Å
482R98.2Very high96.9Very high1 Ų142 Ų420%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-109.9132.1173.7-176.4-166.8169.8-161.110.5110T363 I364 W367 I442 A443 N485 A523 Q546T363-R482 PolarHBondContact O-NH1 3.23Å; T363-R482 PolarHBondContact OG1-NH1 2.66Å; I364-R482 HydrophobicContact CD1-CB 4.45Å; I364-R482 VanDerWaalsContact N-NH1 3.15Å; W367-R482 HydrophobicContact CH2-CB 4.28Å; W367-R482 HydrophobicContact CH2-CG 4.45Å; W367-R482 HydrophobicContact CZ2-CB 4.31Å; W367-R482 HydrophobicContact CZ2-CG 3.99Å; I442-R482 PolarHBondContact O-N 3.49Å; A443-R482 HydrophobicContact CB-CB 3.98Å; A443-R482 HydrophobicContact CB-CG 4.5Å; R482-N485 PolarHBondContact NH2-ND2 2.94Å; R482-N485 VanDerWaalsContact NH2-ND2 3.19Å; R482-A523 HydrophobicContact CG-CB 3.9Å; R482-Q546 VanDerWaalsContact NE-OE1 3.12Å
483T97.6Very high96.8Very high0 Ų038.8 Ų38.80%020%0.202CC..  trans-76.3174.9178.7610000113.1D506 L520 V521 D522 A523 W524T483-D506 WeakPolarHBondContact CB-OD1 3.48Å; T483-D506 VanDerWaalsContact CG2-OD1 3.24Å; T483-D506 WeakPolarHBondContact CG2-OD1 3.21Å; T483-L520 HydrophobicContact CG2-CD1 3.7Å; T483-L520 HydrophobicContact CG2-CD2 3.98Å; T483-L520 HydrophobicContact CG2-CG 3.93Å; T483-V521 PolarHBondContact N-O 2.88Å; T483-V521 PolarHBondContact OG1-O 3.3Å; T483-D522 WeakPolarHBondContact OG1-CA 3.29Å; T483-A523 WeakPolarHBondContact OG1-CA 3.48Å; T483-A523 PolarHBondContact OG1-N 2.79Å; T483-W524 PolarHBondContact OG1-N 3.47Å
484A96.3Very high96.8Very high1 Ų134.2 Ų34.21%0.00819%0.185CC..  trans-65.4164.2174.900000113W445 N502 D506 A523 W524W445-A484 HydrophobicContact CD2-CB 3.54Å; W445-A484 VanDerWaalsContact CE2-CA 3.47Å; W445-A484 HydrophobicContact CE3-CB 3.7Å; W445-A484 HydrophobicContact CG-CB 3.98Å; W445-A484 HydrophobicContact CH2-CB 4.22Å; W445-A484 HydrophobicContact CZ2-CB 4.09Å; W445-A484 HydrophobicContact CZ3-CB 4.06Å; A484-N502 HydrophobicContact CB-CB 4.36Å; A484-D506 HydrophobicContact CB-CB 4.35Å; A484-A523 CarbonylContact O-C 3.54Å; A484-W524 HydrophobicContact CB-CE3 3.84Å; A484-W524 HydrophobicContact CB-CZ3 4.26Å; A484-W524 WeakPolarHBondContact O-CA 3.39Å; A484-W524 VanDerWaalsContact O-CB 3.3Å; A484-W524 WeakPolarHBondContact O-CB 3.21Å; A484-W524 PolarHBondContact O-N 2.58Å
485N96.3Very high96.7Very high0 Ų034 Ų340%018%0.181CC..  trans-105.8150.1168.8-66.9-38.6000109.7W445 R482 A523 T527 L536 P538W445-N485 HydrophobicContact CH2-CB 4.26Å; W445-N485 WeakPolarHBondContact CH2-O 3.43Å; W445-N485 HydrophobicContact CZ2-CB 3.98Å; R482-N485 PolarHBondContact NH2-ND2 2.94Å; R482-N485 VanDerWaalsContact NH2-ND2 3.19Å; N485-A523 WeakPolarHBondContact OD1-CB 3.45Å; N485-T527 HydrophobicContact CB-CG2 4.06Å; N485-L536 PolarHBondContact ND2-O 2.84Å; N485-P538 WeakPolarHBondContact ND2-CD 3.31Å
486A95.3Very high96.6Very high0 Ų029.4 Ų29.40%015%0.152CC..  trans-74.4149163.800000111D499 W524 T527 L528 H534 K535A486-D499 WeakPolarHBondContact CA-OD1 3.44Å; A486-W524 HydrophobicContact CB-CZ3 4.48Å; A486-T527 PolarHBondContact N-OG1 2.64Å; A486-L528 HydrophobicContact CB-CD2 3.54Å; A486-L528 HydrophobicContact CB-CG 4.13Å; A486-H534 HydrophobicContact CB-CB 4.21Å; A486-H534 VanDerWaalsContact CB-ND1 3.3Å; A486-H534 WeakPolarHBondContact CB-ND1 3.25Å; A486-K535 CarbonylContact O-C 3.56Å; A486-K535 PolarHBondContact O-N 3.22Å
487Q94.6Very high96.4Very high31 Ų3123.4 Ų23.415%0.14513%0.127CC..  trans-129.6148-172.5-179.29848.900112.5K288 L489 V493 D499 L536K288-Q487 PolarHBondContact NZ-O 3.42Å; Q487-L489 PolarHBondContact O-N 3.02Å; Q487-V493 HydrophobicContact CG-CG1 4.33Å; Q487-D499 PolarHBondContact N-OD1 3.38Å; Q487-L536 VanDerWaalsContact CD-CA 3.46Å; Q487-L536 VanDerWaalsContact CD-CB 3.46Å; Q487-L536 VanDerWaalsContact OE1-CD1 3.27Å; Q487-L536 VanDerWaalsContact OE1-N 3.15Å
488E94.4Very high96.3Very high132 Ų13223 Ų2362%0.61712%0.124SC*.  trans-51.7133.7159-175.5172.8-163.400112.3H534E488-H534 WeakPolarHBondContact CA-O 3.39Å; E488-H534 VanDerWaalsContact CB-O 3.3Å; E488-H534 WeakPolarHBondContact CB-O 3.42Å; E488-H534 PolarHBondContact N-O 2.68Å
489L95.8Very high96.1Very high18 Ų1821.8 Ų21.89%0.09412%0.117CC..  trans-119.2134.9-178.5-60.7-178.7000110.5V188 I287 K288 Q487 V493 D499V188-L489 HydrophobicContact CG1-CD1 3.51Å; I287-L489 HydrophobicContact CG2-CB 3.49Å; I287-L489 VanDerWaalsContact CG2-CB 3.49Å; K288-L489 HydrophobicContact CD-CB 4.36Å; K288-L489 HydrophobicContact CD-CD1 4.29Å; K288-L489 HydrophobicContact CD-CG 4.22Å; Q487-L489 PolarHBondContact O-N 3.02Å; L489-V493 HydrophobicContact CD2-CG1 4.12Å; L489-D499 HydrophobicContact CD1-CB 4.25Å
490G95.5Very high96Very high15 Ų1522.4 Ų22.416%0.15512%0.119CC..  trans-132.9-174.616400000109.6E492 V493 S494G490-E492 PolarHBondContact O-N 2.99Å; G490-V493 PolarHBondContact O-N 2.88Å; G490-S494 VanDerWaalsContact O-CB 3.32Å; G490-S494 WeakPolarHBondContact O-CB 3.47Å; G490-S494 PolarHBondContact O-N 3.22Å; G490-S494 PolarHBondContact O-OG 3.21Å
491P95.6Very high95.8Very high63 Ų6322.4 Ų22.441%0.40912%0.119SC..Hα-helixtrans-58-50.5-172.6-25.134.9000111.9F281 S283 I287 L495F281-P491 WeakPolarHBondContact O-CB 3.45Å; F281-P491 WeakPolarHBondContact O-CG 3.36Å; S283-P491 WeakPolarHBondContact OG-CD 3.28Å; I287-P491 HydrophobicContact CD1-CG 4.3Å; P491-L495 WeakPolarHBondContact O-CG 3.35Å
492E94.8Very high95.7Very high91 Ų9122.4 Ų22.443%0.42512%0.119SC..Hα-helixtrans-69.4-48.1-179.4-169.2172.3-172.400112.2K270 G490 S494 L495 F496K270-E492 IonicContact NZ-OE1 3.38Å; K270-E492 PolarHBondContact NZ-OE1 2.63Å; K270-E492 IonicContact NZ-OE2 3.47Å; G490-E492 PolarHBondContact O-N 2.99Å; E492-S494 PolarHBondContact O-N 2.7Å; E492-L495 PolarHBondContact O-N 2.79Å; E492-F496 HydrophobicContact CG-CD2 3.91Å; E492-F496 HydrophobicContact CG-CE2 3.66Å; E492-F496 WeakPolarHBondContact O-CD2 3.27Å
493V95.4Very high95.5Very high54 Ų5425.1 Ų25.133%0.32713%0.131SC..Hα-helixtrans-59.7-34.9-178.5-1790000111.4Q487 L489 G490 L495 F496 N497 S498Q487-V493 HydrophobicContact CG-CG1 4.33Å; L489-V493 HydrophobicContact CD2-CG1 4.12Å; G490-V493 PolarHBondContact O-N 2.88Å; V493-L495 PolarHBondContact O-N 3.05Å; V493-F496 PolarHBondContact O-N 2.92Å; V493-N497 HydrophobicContact CG1-CB 4.22Å; V493-N497 CarbonylContact O-C 3.6Å; V493-N497 PolarHBondContact O-N 2.82Å; V493-S498 PolarHBondContact O-N 3.47Å
494S96.6Very high95.4Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-59.7-34176.7-59.70000112.6H189 L197 G490 E492 F496 S498H189-S494 PolarHBondContact CE1-OG 3.2Å; L197-S494 WeakPolarHBondContact CD2-O 3.13Å; G490-S494 VanDerWaalsContact O-CB 3.32Å; G490-S494 WeakPolarHBondContact O-CB 3.47Å; G490-S494 PolarHBondContact O-N 3.22Å; G490-S494 PolarHBondContact O-OG 3.21Å; E492-S494 PolarHBondContact O-N 2.7Å; S494-F496 VanDerWaalsContact C-N 3.34Å; S494-F496 PolarHBondContact O-N 3.13Å; S494-S498 WeakPolarHBondContact O-CB 3.48Å
495L96.8Very high95.4Very high14 Ų1425.8 Ų25.87%0.07313%0.134CC..Hα-helixtrans-75.6-25.5-179.1-53-175.8000113L197 L200 R207 L272 L273 F281 P491 E492 V493L197-L495 HydrophobicContact CD2-CD2 4.03Å; L200-L495 HydrophobicContact CD1-CD2 3.93Å; R207-L495 PolarHBondContact NE-O 2.83Å; R207-L495 PolarHBondContact NH2-O 2.67Å; L272-L495 HydrophobicContact CB-CD1 4.44Å; L272-L495 HydrophobicContact CD1-CD1 4.32Å; L273-L495 HydrophobicContact CD1-CD1 3.97Å; L273-L495 HydrophobicContact CD1-CD2 4.07Å; L273-L495 HydrophobicContact CD2-CD1 4.29Å; L273-L495 HydrophobicContact CD2-CD2 3.98Å; L273-L495 HydrophobicContact CG-CD1 3.93Å; L273-L495 HydrophobicContact CG-CD2 4.33Å; F281-L495 HydrophobicContact CD1-CD2 4.37Å; F281-L495 HydrophobicContact CD2-CD2 4.34Å; F281-L495 HydrophobicContact CE1-CD2 4.23Å; F281-L495 HydrophobicContact CE2-CD2 4.2Å; F281-L495 HydrophobicContact CG-CD2 4.41Å; F281-L495 HydrophobicContact CZ-CD2 4.13Å; P491-L495 WeakPolarHBondContact O-CG 3.35Å; E492-L495 PolarHBondContact O-N 2.79Å; V493-L495 PolarHBondContact O-N 3.05Å
496F95.4Very high95.4Very high6 Ų626 Ų263%0.02614%0.135CC..Hα-helixtrans-113-30.4-171.3-59.3-68.3000114.6R207 V208 Y268 L272 R413 S449 T450 E492 V493 S494R207-F496 HydrophobicContact CB-CE1 4.19Å; R207-F496 HydrophobicContact CG-CD1 4.1Å; R207-F496 HydrophobicContact CG-CE1 3.79Å; V208-F496 HydrophobicContact CG2-CD1 3.88Å; V208-F496 HydrophobicContact CG2-CE1 4.41Å; Y268-F496 HydrophobicContact CD1-CB 4.31Å; Y268-F496 AromaticContact CD1-CD1 3.46Å; Y268-F496 HydrophobicContact CD1-CD1 3.46Å; Y268-F496 VanDerWaalsContact CD1-CD1 3.46Å; Y268-F496 AromaticContact CD1-CD2 3.88Å; Y268-F496 HydrophobicContact CD1-CD2 3.88Å; Y268-F496 AromaticContact CD1-CE1 3.62Å; Y268-F496 HydrophobicContact CD1-CE1 3.62Å; Y268-F496 HydrophobicContact CD1-CE2 4.05Å; Y268-F496 AromaticContact CD1-CG 3.61Å; Y268-F496 HydrophobicContact CD1-CG 3.61Å; Y268-F496 AromaticContact CD1-CZ 3.94Å; Y268-F496 HydrophobicContact CD1-CZ 3.94Å; Y268-F496 HydrophobicContact CE1-CB 4.12Å; Y268-F496 HydrophobicContact CE1-CD1 4.04Å; Y268-F496 HydrophobicContact CE1-CD2 4.4Å; Y268-F496 AromaticContact CE1-CG 3.93Å; Y268-F496 HydrophobicContact CE1-CG 3.93Å; Y268-F496 HydrophobicContact CG-CD1 4.44Å; Y268-F496 HydrophobicContact CG-CD2 4.38Å; Y268-F496 HydrophobicContact CG-CE1 4.26Å; Y268-F496 HydrophobicContact CG-CE2 4.21Å; Y268-F496 HydrophobicContact CG-CZ 4.16Å; L272-F496 HydrophobicContact CD1-CE1 3.86Å; L272-F496 HydrophobicContact CD1-CZ 3.61Å; R413-F496 PolarHBondContact NH1-O 2.69Å; S449-F496 WeakPolarHBondContact CB-O 3.48Å; S449-F496 PolarHBondContact OG-O 3.46Å; T450-F496 HydrophobicContact CG2-CD1 4.07Å; E492-F496 HydrophobicContact CG-CD2 3.91Å; E492-F496 HydrophobicContact CG-CE2 3.66Å; E492-F496 WeakPolarHBondContact O-CD2 3.27Å; V493-F496 PolarHBondContact O-N 2.92Å; S494-F496 VanDerWaalsContact C-N 3.34Å; S494-F496 PolarHBondContact O-N 3.13Å
497N93.4Very high95.4Very high29 Ų2927.1 Ų27.116%0.15514%0.142CC..Hα-helixtrans-144.730.2-173.2-58.2-52.4000112.5R413 S449 V493 N502R413-N497 PolarHBondContact NH1-OD1 2.9Å; S449-N497 PolarHBondContact OG-OD1 2.79Å; V493-N497 HydrophobicContact CG1-CB 4.22Å; V493-N497 CarbonylContact O-C 3.6Å; V493-N497 PolarHBondContact O-N 2.82Å; N497-N502 PolarHBondContact O-ND2 3.15Å; N497-N502 VanDerWaalsContact O-ND2 3.13Å
498S94.8Very high95.5Very high0 Ų025.7 Ų25.70%014%0.135CC..  trans-53.2141.8178.6168.50000112.9H189 V493 S494 W500 Y501 N502H189-S498 PolarHBondContact CD2-OG 2.89Å; H189-S498 PolarHBondContact NE2-OG 2.69Å; V493-S498 PolarHBondContact O-N 3.47Å; S494-S498 WeakPolarHBondContact O-CB 3.48Å; S498-W500 PolarHBondContact O-N 2.98Å; S498-W500 VanDerWaalsContact O-N 3.08Å; S498-W500 WeakPolarHBondContact OG-CB 3.06Å; S498-W500 PolarHBondContact OG-N 2.95Å; S498-Y501 PolarHBondContact O-N 2.83Å; S498-N502 VanDerWaalsContact O-CG 3.25Å; S498-N502 PolarHBondContact O-N 3.49Å; S498-N502 PolarHBondContact O-ND2 3.02Å; S498-N502 PolarHBondContact O-OD1 3.24Å
499D95.8Very high95.7Very high0 Ų019.7 Ų19.70%011%0.108CC..Hα-helixtrans-56.3-22170.4-76.7-11.8000112.4Y143 Q145 V188 K288 A486 Q487 L489 F503 W524Y143-D499 VanDerWaalsContact CE1-C 3.48Å; Y143-D499 HydrophobicContact CE1-CB 3.91Å; Y143-D499 WeakPolarHBondContact CE1-O 3.5Å; Y143-D499 PolarHBondContact OH-O 2.76Å; Q145-D499 PolarHBondContact NE2-OD2 2.74Å; V188-D499 HydrophobicContact CG1-CB 4.15Å; K288-D499 IonicContact NZ-OD2 3.47Å; K288-D499 PolarHBondContact NZ-OD2 2.94Å; A486-D499 WeakPolarHBondContact CA-OD1 3.44Å; Q487-D499 PolarHBondContact N-OD1 3.38Å; L489-D499 HydrophobicContact CD1-CB 4.25Å; D499-F503 VanDerWaalsContact O-CB 3.29Å; D499-F503 WeakPolarHBondContact O-CB 3.46Å; D499-F503 PolarHBondContact O-N 3.05Å; D499-W524 HydrophobicContact CB-CH2 4.12Å; D499-W524 WeakPolarHBondContact O-CH2 3.42Å
500W95.7Very high95.7Very high14 Ų1422.2 Ų22.25%0.05312%0.116CC..Hα-helixtrans-71.6-40.9174.1-179.376.5000112.3Y143 I194 L197 Q198 S498 Q504Y143-W500 HydrophobicContact CD1-CB 3.71Å; Y143-W500 HydrophobicContact CD1-CG 4.33Å; Y143-W500 HydrophobicContact CE1-CB 4.1Å; Y143-W500 HydrophobicContact CG-CB 4.38Å; Y143-W500 AromaticContact CG-CD1 3.87Å; I194-W500 HydrophobicContact CG1-CD2 4.39Å; I194-W500 HydrophobicContact CG1-CG 4.25Å; I194-W500 HydrophobicContact CG2-CD2 4.06Å; I194-W500 VanDerWaalsContact CG2-CE2 3.46Å; I194-W500 HydrophobicContact CG2-CH2 4.06Å; I194-W500 HydrophobicContact CG2-CZ2 3.48Å; I194-W500 VanDerWaalsContact CG2-CZ2 3.48Å; L197-W500 HydrophobicContact CB-CE3 3.94Å; L197-W500 HydrophobicContact CB-CZ3 3.94Å; L197-W500 HydrophobicContact CD1-CB 4.46Å; L197-W500 HydrophobicContact CD1-CE3 4.09Å; Q198-W500 HydrophobicContact CB-CH2 4.01Å; S498-W500 PolarHBondContact O-N 2.98Å; S498-W500 VanDerWaalsContact O-N 3.08Å; S498-W500 WeakPolarHBondContact OG-CB 3.06Å; S498-W500 PolarHBondContact OG-N 2.95Å; W500-Q504 VanDerWaalsContact CD2-NE2 3.34Å; W500-Q504 VanDerWaalsContact CZ2-NE2 3.35Å; W500-Q504 WeakPolarHBondContact O-CG 3.32Å; W500-Q504 PolarHBondContact O-N 2.97Å; W500-Q504 PolarHBondContact O-NE2 3.45Å; W500-Q504 VanDerWaalsContact O-NE2 3.16Å
501Y95.5Very high95.7Very high1 Ų127.3 Ų27.30%0.00413%0.13CC..Hα-helixtrans-65.4-46171-61.2-56.5000110.3L197 Q201 R207 S498 F503 Q504 L505L197-Y501 VanDerWaalsContact C-OH 3.31Å; L197-Y501 VanDerWaalsContact CA-OH 3.23Å; L197-Y501 WeakPolarHBondContact CA-OH 3.41Å; L197-Y501 HydrophobicContact CB-CE1 4.05Å; L197-Y501 HydrophobicContact CB-CE2 4.46Å; L197-Y501 VanDerWaalsContact CB-OH 3.28Å; L197-Y501 WeakPolarHBondContact CB-OH 3.39Å; L197-Y501 HydrophobicContact CD1-CE2 4.5Å; L197-Y501 HydrophobicContact CD2-CE2 4.02Å; L197-Y501 WeakPolarHBondContact CD2-OH 3.46Å; L197-Y501 PolarHBondContact O-OH 2.82Å; Q201-Y501 HydrophobicContact CB-CE1 4.09Å; Q201-Y501 HydrophobicContact CG-CE1 4.46Å; R207-Y501 VanDerWaalsContact NH2-CZ 3.34Å; R207-Y501 PolarHBondContact NH2-OH 3.47Å; S498-Y501 PolarHBondContact O-N 2.83Å; Y501-F503 VanDerWaalsContact C-N 3.28Å; Y501-F503 PolarHBondContact O-N 3.41Å; Y501-Q504 WeakPolarHBondContact O-CB 3.23Å; Y501-Q504 PolarHBondContact O-N 2.99Å; Y501-L505 WeakPolarHBondContact O-CG 3.48Å; Y501-L505 PolarHBondContact O-N 3.3Å
502N95.4Very high95.7Very high0 Ų024.3 Ų24.30%011%0.111CC..Hα-helixtrans-63.1-36.4-176.3-56.4-24.1000111.7W445 A484 N497 S498 Q504 L505 D506 W524W445-N502 HydrophobicContact CE3-CB 4.34Å; W445-N502 HydrophobicContact CZ3-CB 4.06Å; W445-N502 VanDerWaalsContact CZ3-CG 3.45Å; A484-N502 HydrophobicContact CB-CB 4.36Å; N497-N502 PolarHBondContact O-ND2 3.15Å; N497-N502 VanDerWaalsContact O-ND2 3.13Å; S498-N502 VanDerWaalsContact O-CG 3.25Å; S498-N502 PolarHBondContact O-N 3.49Å; S498-N502 PolarHBondContact O-ND2 3.02Å; S498-N502 PolarHBondContact O-OD1 3.24Å; N502-Q504 VanDerWaalsContact C-N 3.34Å; N502-Q504 PolarHBondContact O-N 3.39Å; N502-L505 PolarHBondContact O-N 3.37Å; N502-D506 WeakPolarHBondContact O-CB 3.47Å; N502-D506 PolarHBondContact O-N 2.9Å; N502-W524 HydrophobicContact CB-CH2 4.19Å; N502-W524 HydrophobicContact CB-CZ3 3.74Å
503F95.1Very high95.9Very high58 Ų5820.5 Ų20.525%0.2549%0.093SC..Hα-helixtrans-60.3-40.6172172.3-89.6000112.9Y143 D499 Y501 D506 T507 W524Y143-F503 HydrophobicContact CE2-CB 4.36Å; Y143-F503 HydrophobicContact CE2-CD2 4.36Å; Y143-F503 HydrophobicContact CE2-CG 4.21Å; Y143-F503 WeakPolarHBondContact OH-CB 3.31Å; D499-F503 VanDerWaalsContact O-CB 3.29Å; D499-F503 WeakPolarHBondContact O-CB 3.46Å; D499-F503 PolarHBondContact O-N 3.05Å; Y501-F503 VanDerWaalsContact C-N 3.28Å; Y501-F503 PolarHBondContact O-N 3.41Å; F503-D506 PolarHBondContact O-N 3.05Å; F503-T507 WeakPolarHBondContact O-CB 3.48Å; F503-T507 PolarHBondContact O-N 2.9Å; F503-T507 PolarHBondContact O-OG1 3.23Å; F503-W524 HydrophobicContact CB-CH2 4.28Å; F503-W524 HydrophobicContact CB-CZ2 4.08Å; F503-W524 HydrophobicContact CD2-CZ2 4.4Å
504Q95.3Very high95.8Very high14 Ų1422.3 Ų22.37%0.06511%0.108CC..Hα-helixtrans-64.9-46.8177.2-68.6171.483.900110.8L85 L453 W500 Y501 N502 D506 T507 I508L85-Q504 HydrophobicContact CD1-CB 3.87Å; L85-Q504 HydrophobicContact CD1-CG 4.24Å; L85-Q504 HydrophobicContact CD2-CB 4.15Å; L85-Q504 HydrophobicContact CD2-CG 4.07Å; L453-Q504 HydrophobicContact CD2-CB 4.02Å; W500-Q504 VanDerWaalsContact CD2-NE2 3.34Å; W500-Q504 VanDerWaalsContact CZ2-NE2 3.35Å; W500-Q504 WeakPolarHBondContact O-CG 3.32Å; W500-Q504 PolarHBondContact O-N 2.97Å; W500-Q504 PolarHBondContact O-NE2 3.45Å; W500-Q504 VanDerWaalsContact O-NE2 3.16Å; Y501-Q504 WeakPolarHBondContact O-CB 3.23Å; Y501-Q504 PolarHBondContact O-N 2.99Å; N502-Q504 VanDerWaalsContact C-N 3.34Å; N502-Q504 PolarHBondContact O-N 3.39Å; Q504-D506 VanDerWaalsContact C-N 3.35Å; Q504-D506 PolarHBondContact O-N 2.96Å; Q504-T507 PolarHBondContact O-N 3.21Å; Q504-I508 WeakPolarHBondContact O-CG1 3.36Å; Q504-I508 PolarHBondContact O-N 3.2Å
505L96.7Very high95.7Very high1 Ų126.3 Ų26.31%0.00515%0.149CC..Hα-helixtrans-60.7-43.4176.1-58179.6000111.4W445 F448 L453 Y456 Y501 N502 T507 I508 L509W445-L505 HydrophobicContact CB-CD1 4.45Å; W445-L505 WeakPolarHBondContact O-CD1 3.33Å; F448-L505 HydrophobicContact CB-CD1 4.1Å; F448-L505 HydrophobicContact CB-CD2 4.32Å; L453-L505 HydrophobicContact CD2-CD2 4.21Å; Y456-L505 HydrophobicContact CD1-CB 4.17Å; Y456-L505 HydrophobicContact CD1-CD2 3.4Å; Y456-L505 HydrophobicContact CD1-CG 4.35Å; Y456-L505 HydrophobicContact CD2-CD2 4.2Å; Y456-L505 HydrophobicContact CE1-CB 3.73Å; Y456-L505 HydrophobicContact CE1-CD2 3.87Å; Y456-L505 HydrophobicContact CE1-CG 4.36Å; Y456-L505 VanDerWaalsContact CE1-O 3.26Å; Y456-L505 WeakPolarHBondContact CE1-O 3.26Å; Y456-L505 HydrophobicContact CG-CD2 3.56Å; Y501-L505 WeakPolarHBondContact O-CG 3.48Å; Y501-L505 PolarHBondContact O-N 3.3Å; N502-L505 PolarHBondContact O-N 3.37Å; L505-T507 PolarHBondContact O-N 2.78Å; L505-I508 PolarHBondContact O-N 2.83Å; L505-L509 WeakPolarHBondContact O-CB 3.37Å; L505-L509 PolarHBondContact O-N 3.15Å
506D96Very high95.6Very high5 Ų526.9 Ų26.93%0.02715%0.153CC..Hα-helixtrans-61.9-42.9177.6-173.152.8000112.2T483 A484 N502 F503 Q504 I508 L509 R510T483-D506 WeakPolarHBondContact CB-OD1 3.48Å; T483-D506 VanDerWaalsContact CG2-OD1 3.24Å; T483-D506 WeakPolarHBondContact CG2-OD1 3.21Å; A484-D506 HydrophobicContact CB-CB 4.35Å; N502-D506 WeakPolarHBondContact O-CB 3.47Å; N502-D506 PolarHBondContact O-N 2.9Å; F503-D506 PolarHBondContact O-N 3.05Å; Q504-D506 VanDerWaalsContact C-N 3.35Å; Q504-D506 PolarHBondContact O-N 2.96Å; D506-I508 PolarHBondContact O-N 3.11Å; D506-L509 WeakPolarHBondContact O-CB 3.12Å; D506-L509 PolarHBondContact O-N 2.94Å; D506-R510 WeakPolarHBondContact O-CG 3.37Å; D506-R510 PolarHBondContact O-N 2.94Å; D506-R510 IonicContact OD1-NE 3.12Å; D506-R510 IonicContact OD1-NH2 3.91Å; D506-R510 IonicContact OD2-CZ 2.7Å; D506-R510 IonicContact OD2-NE 2.74Å; D506-R510 PolarHBondContact OD2-NE 3.1Å; D506-R510 IonicContact OD2-NH2 3.46Å; D506-R510 PolarHBondContact OD2-NH2 3.42Å
507T95.1Very high95.6Very high24 Ų2429.5 Ų29.515%0.14718%0.182CC..Hα-helixtrans-62-44.7177.6-590000111.6L85 F503 Q504 L505 R511L85-T507 HydrophobicContact CD2-CG2 3.7Å; L85-T507 HydrophobicContact CG-CG2 4.45Å; F503-T507 WeakPolarHBondContact O-CB 3.48Å; F503-T507 PolarHBondContact O-N 2.9Å; F503-T507 PolarHBondContact O-OG1 3.23Å; Q504-T507 PolarHBondContact O-N 3.21Å; L505-T507 PolarHBondContact O-N 2.78Å; T507-R511 WeakPolarHBondContact O-CG 3.42Å; T507-R511 PolarHBondContact O-N 3.24Å
508I97Very high95.8Very high1 Ų129.5 Ų29.51%0.00518%0.183CC..Hα-helixtrans-63.1-45.5176-68.1164.7000110.2L81 L85 L453 Y456 I457 L460 Q504 L505 D506 R510 R511 M512L81-I508 HydrophobicContact CD1-CG2 4.41Å; L81-I508 HydrophobicContact CD2-CG2 4.49Å; L85-I508 HydrophobicContact CD1-CD1 3.58Å; L85-I508 HydrophobicContact CD1-CG1 3.66Å; L453-I508 HydrophobicContact CB-CD1 4.03Å; L453-I508 HydrophobicContact CD1-CD1 4.34Å; L453-I508 HydrophobicContact CD2-CD1 3.9Å; L453-I508 HydrophobicContact CG-CD1 4.31Å; Y456-I508 HydrophobicContact CD1-CB 4.27Å; Y456-I508 HydrophobicContact CD1-CD1 4.35Å; Y456-I508 HydrophobicContact CD1-CG2 4.09Å; Y456-I508 HydrophobicContact CE1-CB 4.28Å; Y456-I508 HydrophobicContact CE1-CG2 4.28Å; I457-I508 HydrophobicContact CD1-CD1 4.28Å; I457-I508 HydrophobicContact CG1-CD1 4.02Å; I457-I508 HydrophobicContact CG1-CG1 4.49Å; I457-I508 HydrophobicContact CG1-CG2 3.76Å; L460-I508 HydrophobicContact CD1-CG2 3.93Å; Q504-I508 WeakPolarHBondContact O-CG1 3.36Å; Q504-I508 PolarHBondContact O-N 3.2Å; L505-I508 PolarHBondContact O-N 2.83Å; D506-I508 PolarHBondContact O-N 3.11Å; I508-R510 PolarHBondContact O-N 3.1Å; I508-R511 PolarHBondContact O-N 3.28Å; I508-M512 VanDerWaalsContact O-CB 3.25Å; I508-M512 WeakPolarHBondContact O-CB 3.38Å; I508-M512 PolarHBondContact O-N 3.02Å
509L97.8Very high95.9Very high6 Ų634.5 Ų34.53%0.03120%0.203CC..Hα-helixtrans-56-49.9179.9-177.273.6000111.5L460 I481 L505 D506 R511 M512 F513L460-L509 HydrophobicContact CD1-CB 4.07Å; L460-L509 HydrophobicContact CD1-CD1 3.78Å; L460-L509 HydrophobicContact CD2-CD1 3.63Å; L460-L509 HydrophobicContact CG-CD1 4.35Å; I481-L509 HydrophobicContact CG2-CD1 3.87Å; I481-L509 HydrophobicContact CG2-CD2 3.83Å; I481-L509 HydrophobicContact CG2-CG 3.91Å; L505-L509 WeakPolarHBondContact O-CB 3.37Å; L505-L509 PolarHBondContact O-N 3.15Å; D506-L509 WeakPolarHBondContact O-CB 3.12Å; D506-L509 PolarHBondContact O-N 2.94Å; L509-R511 PolarHBondContact O-N 3.43Å; L509-M512 PolarHBondContact O-N 3.06Å; L509-F513 HydrophobicContact CD1-CD2 3.84Å; L509-F513 HydrophobicContact CD1-CE2 3.79Å; L509-F513 HydrophobicContact CG-CD2 4.45Å; L509-F513 WeakPolarHBondContact O-CD2 3.39Å; L509-F513 PolarHBondContact O-N 2.85Å; L509-F513 VanDerWaalsContact O-N 3.13Å
510R95.7Very high95.9Very high70 Ų7037 Ų3726%0.26422%0.216SC..Hα-helixtrans-60.3-45.6179.2-70172.4-170.4-93.52.1112.3D506 I508 S514 L520 D522D506-R510 WeakPolarHBondContact O-CG 3.37Å; D506-R510 PolarHBondContact O-N 2.94Å; D506-R510 IonicContact OD1-NE 3.12Å; D506-R510 IonicContact OD1-NH2 3.91Å; D506-R510 IonicContact OD2-CZ 2.7Å; D506-R510 IonicContact OD2-NE 2.74Å; D506-R510 PolarHBondContact OD2-NE 3.1Å; D506-R510 IonicContact OD2-NH2 3.46Å; D506-R510 PolarHBondContact OD2-NH2 3.42Å; I508-R510 PolarHBondContact O-N 3.1Å; R510-S514 PolarHBondContact O-N 2.93Å; R510-L520 HydrophobicContact CG-CD2 4.2Å; R510-D522 IonicContact CZ-OD1 3.26Å; R510-D522 IonicContact CZ-OD2 2.69Å; R510-D522 VanDerWaalsContact CZ-OD2 3.26Å; R510-D522 IonicContact NH1-OD1 3Å; R510-D522 IonicContact NH1-OD2 2.85Å; R510-D522 PolarHBondContact NH1-OD2 3.13Å; R510-D522 IonicContact NH2-OD1 3.57Å; R510-D522 PolarHBondContact NH2-OD1 2.72Å; R510-D522 IonicContact NH2-OD2 2.88Å; R510-D522 PolarHBondContact NH2-OD2 3.09Å
511R95.7Very high96Very high123 Ų12336.3 Ų36.346%0.46421%0.213SC..Hα-helixtrans-66.6-42.9179.7-72.8-177.4177.6-1322.3111.6L81 T507 I508 L509 F513 S514L81-R511 HydrophobicContact CD2-CB 3.38Å; L81-R511 HydrophobicContact CD2-CG 4.26Å; T507-R511 WeakPolarHBondContact O-CG 3.42Å; T507-R511 PolarHBondContact O-N 3.24Å; I508-R511 PolarHBondContact O-N 3.28Å; L509-R511 PolarHBondContact O-N 3.43Å; R511-F513 VanDerWaalsContact C-N 3.3Å; R511-F513 PolarHBondContact O-N 3.01Å; R511-S514 WeakPolarHBondContact O-CB 3.27Å; R511-S514 PolarHBondContact O-N 3.08Å
512M96.5Very high96.1Very high0 Ų036.5 Ų36.50%021%0.214CC..Hα-helixtrans-60.1-40.2180-17363.471.400112L81 I457 L460 R461 R464 I508 L509L81-M512 HydrophobicContact CD1-CE 3.57Å; I457-M512 HydrophobicContact CG2-CE 3.96Å; L460-M512 HydrophobicContact CB-CB 4.44Å; L460-M512 HydrophobicContact CB-CE 4.4Å; L460-M512 HydrophobicContact CB-CG 3.82Å; L460-M512 HydrophobicContact CD1-CB 4.41Å; R461-M512 HydrophobicContact CB-CE 4.21Å; R461-M512 HydrophobicContact CB-SD 4.45Å; R464-M512 HydrophobicContact CB-CG 4.32Å; R464-M512 WeakPolarHBondContact CD-O 3.46Å; R464-M512 VanDerWaalsContact CZ-SD 3.52Å; R464-M512 PolarHBondContact NH1-O 2.95Å; I508-M512 VanDerWaalsContact O-CB 3.25Å; I508-M512 WeakPolarHBondContact O-CB 3.38Å; I508-M512 PolarHBondContact O-N 3.02Å; L509-M512 PolarHBondContact O-N 3.06Å
513F97.2Very high96.2Very high10 Ų1036.5 Ų36.54%0.04421%0.214CC..Hα-helixtrans-951.6-178.2-75.9-81000114.8L460 I463 R464 V467 I481 L509 R511 G515 V516 V518L460-F513 HydrophobicContact CD2-CE2 4.29Å; I463-F513 HydrophobicContact CB-CZ 4.4Å; I463-F513 HydrophobicContact CG2-CZ 3.85Å; R464-F513 HydrophobicContact CB-CE1 4.13Å; R464-F513 HydrophobicContact CB-CZ 4.24Å; R464-F513 HydrophobicContact CG-CE1 4.44Å; V467-F513 HydrophobicContact CB-CE1 4.46Å; V467-F513 HydrophobicContact CG2-CE1 4.18Å; I481-F513 HydrophobicContact CD1-CD1 4.02Å; I481-F513 HydrophobicContact CD1-CE1 3.81Å; I481-F513 HydrophobicContact CD1-CE2 4.36Å; I481-F513 HydrophobicContact CD1-CG 4.38Å; I481-F513 HydrophobicContact CD1-CZ 4Å; I481-F513 HydrophobicContact CG1-CB 4.42Å; I481-F513 HydrophobicContact CG1-CD1 3.89Å; I481-F513 HydrophobicContact CG1-CD2 4.3Å; I481-F513 HydrophobicContact CG1-CE1 4.21Å; I481-F513 HydrophobicContact CG1-CG 3.94Å; I481-F513 HydrophobicContact CG2-CD2 4.38Å; L509-F513 HydrophobicContact CD1-CD2 3.84Å; L509-F513 HydrophobicContact CD1-CE2 3.79Å; L509-F513 HydrophobicContact CG-CD2 4.45Å; L509-F513 WeakPolarHBondContact O-CD2 3.39Å; L509-F513 PolarHBondContact O-N 2.85Å; L509-F513 VanDerWaalsContact O-N 3.13Å; R511-F513 VanDerWaalsContact C-N 3.3Å; R511-F513 PolarHBondContact O-N 3.01Å; F513-G515 PolarHBondContact O-N 2.79Å; F513-V516 HydrophobicContact CD1-CG1 4.5Å; F513-V516 PolarHBondContact O-N 3.13Å; F513-V518 HydrophobicContact CB-CG2 3.91Å; F513-V518 HydrophobicContact CD1-CG1 4.34Å; F513-V518 HydrophobicContact CD1-CG2 4.07Å; F513-V518 HydrophobicContact CG-CG2 4.37Å
514S94.4Very high96.3Very high93 Ų9334.4 Ų34.465%0.6520%0.204SC*.THydrogen-bonded Turntrans-62.3131.5174.8-173.70000110.4R510 R511 V516R510-S514 PolarHBondContact O-N 2.93Å; R511-S514 WeakPolarHBondContact O-CB 3.27Å; R511-S514 PolarHBondContact O-N 3.08Å; S514-V516 VanDerWaalsContact C-N 3.26Å; S514-V516 PolarHBondContact O-N 3.04Å
515G93.7Very high96.4Very high83 Ų8334.4 Ų34.486%0.85620%0.204SC*.THydrogen-bonded Turntrans75.22.1178.500000115.9F513 G517F513-G515 PolarHBondContact O-N 2.79Å; G515-G517 VanDerWaalsContact C-N 3.31Å; G515-G517 PolarHBondContact O-N 2.85Å
516V95.4Very high96.5Very high26 Ų2634.3 Ų34.316%0.15820%0.204CC..SBendtrans-80.7-8.8-176.5-1790000113.3R464 V467 V468 L471 F513 S514 V518R464-V516 HydrophobicContact CG-CG1 4.38Å; R464-V516 HydrophobicContact CG-CG2 3.95Å; V467-V516 HydrophobicContact CG1-CG1 3.99Å; V468-V516 HydrophobicContact CG2-CG1 3.81Å; L471-V516 WeakPolarHBondContact CD1-O 3.43Å; F513-V516 HydrophobicContact CD1-CG1 4.5Å; F513-V516 PolarHBondContact O-N 3.13Å; S514-V516 VanDerWaalsContact C-N 3.26Å; S514-V516 PolarHBondContact O-N 3.04Å; V516-V518 HydrophobicContact CB-CG1 4.39Å; V516-V518 HydrophobicContact CG1-CG1 4.06Å
517G94.8Very high96.6Very high62 Ų6234.2 Ų34.264%0.63920%0.204SC*.SBendtrans79.326.2-174.900000113.8G515G515-G517 VanDerWaalsContact C-N 3.31Å; G515-G517 PolarHBondContact O-N 2.85Å
518V97.8Very high96.7Very high29 Ų2934.1 Ų34.118%0.17620%0.202CC..  trans-101.4157.4173.9-56.80000111.5V467 L471 V479 I481 F513 V516V467-V518 HydrophobicContact CG1-CG1 3.66Å; L471-V518 HydrophobicContact CD1-CG1 4.39Å; V479-V518 HydrophobicContact CB-CG1 4.01Å; V479-V518 HydrophobicContact CG1-CB 4.44Å; V479-V518 HydrophobicContact CG1-CG1 3.82Å; I481-V518 HydrophobicContact CG1-CB 4.15Å; I481-V518 HydrophobicContact CG1-CG2 3.77Å; F513-V518 HydrophobicContact CB-CG2 3.91Å; F513-V518 HydrophobicContact CD1-CG1 4.34Å; F513-V518 HydrophobicContact CD1-CG2 4.07Å; F513-V518 HydrophobicContact CG-CG2 4.37Å; V516-V518 HydrophobicContact CB-CG1 4.39Å; V516-V518 HydrophobicContact CG1-CG1 4.06Å
519Y97.1Very high96.8Very high105 Ų10534.1 Ų34.141%0.41220%0.202SC..EExtended strand (participates in β ladder)trans-90.7153.2169-59.1-74.9000111.2V478 V479 V480 I481 F553V478-Y519 HydrophobicContact CG1-CD2 3.99Å; V478-Y519 HydrophobicContact CG1-CE2 4.09Å; V479-Y519 PolarHBondContact O-N 2.8Å; V480-Y519 CarbonylContact C-O 3.56Å; V480-Y519 WeakPolarHBondContact CA-O 3.34Å; I481-Y519 PolarHBondContact N-O 2.92Å; Y519-F553 HydrophobicContact CD1-CB 4.23Å; Y519-F553 AromaticContact CD1-CD1 3.32Å; Y519-F553 HydrophobicContact CD1-CD1 3.32Å; Y519-F553 HydrophobicContact CD1-CD2 4.45Å; Y519-F553 AromaticContact CD1-CE1 3.63Å; Y519-F553 HydrophobicContact CD1-CE1 3.63Å; Y519-F553 AromaticContact CD1-CG 3.78Å; Y519-F553 HydrophobicContact CD1-CG 3.78Å; Y519-F553 HydrophobicContact CD1-CZ 4.3Å; Y519-F553 HydrophobicContact CD2-CB 3.86Å; Y519-F553 HydrophobicContact CD2-CD1 4.47Å; Y519-F553 HydrophobicContact CD2-CG 4.19Å; Y519-F553 AromaticContact CE1-CD1 3.85Å; Y519-F553 HydrophobicContact CE1-CD1 3.85Å; Y519-F553 HydrophobicContact CE1-CE1 4.35Å; Y519-F553 HydrophobicContact CE1-CG 4.48Å; Y519-F553 HydrophobicContact CE2-CB 4.3Å; Y519-F553 HydrophobicContact CG-CB 3.81Å; Y519-F553 AromaticContact CG-CD1 3.68Å; Y519-F553 HydrophobicContact CG-CD1 3.68Å; Y519-F553 HydrophobicContact CG-CD2 4.06Å; Y519-F553 HydrophobicContact CG-CE1 4.19Å; Y519-F553 AromaticContact CG-CG 3.6Å; Y519-F553 HydrophobicContact CG-CG 3.6Å
520L96.2Very high96.8Very high52 Ų5234 Ų3427%0.27220%0.201SC..EExtended strand (participates in β ladder)trans-121.8125.3179-168.976.1000110.2I481 T483 R510 M549I481-L520 HydrophobicContact CB-CD1 3.93Å; I481-L520 HydrophobicContact CG2-CD1 3.95Å; I481-L520 CarbonylContact O-C 3.55Å; I481-L520 WeakPolarHBondContact O-CA 3.14Å; T483-L520 HydrophobicContact CG2-CD1 3.7Å; T483-L520 HydrophobicContact CG2-CD2 3.98Å; T483-L520 HydrophobicContact CG2-CG 3.93Å; R510-L520 HydrophobicContact CG-CD2 4.2Å; L520-M549 WeakPolarHBondContact O-CE 3.36Å
521V97.9Very high96.8Very high0 Ų035.2 Ų35.20%021%0.207CC..EExtended strand (participates in β ladder)trans-95.8111164.51750000108.3W367 V480 I481 T483 A523 M526 Q546 M549 F550 F553W367-V521 HydrophobicContact CH2-CB 4.13Å; W367-V521 HydrophobicContact CH2-CG1 4.34Å; W367-V521 HydrophobicContact CH2-CG2 3.92Å; W367-V521 HydrophobicContact CZ2-CB 4.25Å; W367-V521 HydrophobicContact CZ2-CG1 3.99Å; W367-V521 HydrophobicContact CZ2-CG2 4.38Å; V480-V521 HydrophobicContact CG1-CG2 3.72Å; I481-V521 PolarHBondContact O-N 3.02Å; T483-V521 PolarHBondContact N-O 2.88Å; T483-V521 PolarHBondContact OG1-O 3.3Å; V521-A523 PolarHBondContact O-N 2.84Å; V521-M526 HydrophobicContact CG1-SD 4.29Å; V521-Q546 HydrophobicContact CG1-CB 3.95Å; V521-Q546 HydrophobicContact CG1-CG 4.07Å; V521-M549 HydrophobicContact CB-SD 4.45Å; V521-M549 HydrophobicContact CG1-SD 4.24Å; V521-M549 HydrophobicContact CG2-CB 4.23Å; V521-M549 HydrophobicContact CG2-CG 4.12Å; V521-M549 HydrophobicContact CG2-SD 4.35Å; V521-F550 HydrophobicContact CG2-CB 4.25Å; V521-F553 HydrophobicContact CG2-CD2 4.37Å; V521-F553 HydrophobicContact CG2-CE2 4.04Å
522D96.8Very high96.9Very high4 Ų431.3 Ų31.32%0.02120%0.195CC..  trans-80.865.9-176.8-159-27.6000111.9S323 T483 R510 W524 E525 M526S323-D522 PolarHBondContact OG-OD2 2.88Å; T483-D522 WeakPolarHBondContact OG1-CA 3.29Å; R510-D522 IonicContact CZ-OD1 3.26Å; R510-D522 IonicContact CZ-OD2 2.69Å; R510-D522 VanDerWaalsContact CZ-OD2 3.26Å; R510-D522 IonicContact NH1-OD1 3Å; R510-D522 IonicContact NH1-OD2 2.85Å; R510-D522 PolarHBondContact NH1-OD2 3.13Å; R510-D522 IonicContact NH2-OD1 3.57Å; R510-D522 PolarHBondContact NH2-OD1 2.72Å; R510-D522 IonicContact NH2-OD2 2.88Å; R510-D522 PolarHBondContact NH2-OD2 3.09Å; D522-W524 PolarHBondContact O-N 3.38Å; D522-W524 VanDerWaalsContact O-N 3.17Å; D522-W524 PolarHBondContact OD1-N 2.79Å; D522-E525 PolarHBondContact O-N 2.64Å; D522-E525 WeakPolarHBondContact OD1-CG 3.14Å; D522-E525 PolarHBondContact OD1-N 2.92Å; D522-M526 WeakPolarHBondContact O-CB 3.26Å; D522-M526 VanDerWaalsContact O-CG 3.24Å; D522-M526 WeakPolarHBondContact O-CG 3.44Å; D522-M526 PolarHBondContact O-N 2.92Å
523A97.9Very high96.9Very high0 Ų035.3 Ų35.30%022%0.221CC..Hα-helixtrans-56.7-24.6173.800000113R482 T483 A484 N485 V521 T527 Q546R482-A523 HydrophobicContact CG-CB 3.9Å; T483-A523 WeakPolarHBondContact OG1-CA 3.48Å; T483-A523 PolarHBondContact OG1-N 2.79Å; A484-A523 CarbonylContact O-C 3.54Å; N485-A523 WeakPolarHBondContact OD1-CB 3.45Å; V521-A523 PolarHBondContact O-N 2.84Å; A523-T527 WeakPolarHBondContact O-CB 3.16Å; A523-T527 WeakPolarHBondContact O-CG2 3.35Å; A523-T527 PolarHBondContact O-N 3.02Å; A523-T527 PolarHBondContact O-OG1 3.33Å; A523-Q546 HydrophobicContact CB-CG 4.35Å
524W97.6Very high96.9Very high14 Ų1436.4 Ų36.45%0.05323%0.226CC..Hα-helixtrans-70.2-54.3-179.5-179.9-99.3000110.3Y143 T483 A484 A486 D499 N502 F503 D522 M526 T527 L528Y143-W524 VanDerWaalsContact OH-CZ2 3.26Å; Y143-W524 WeakPolarHBondContact OH-CZ2 3.1Å; T483-W524 PolarHBondContact OG1-N 3.47Å; A484-W524 HydrophobicContact CB-CE3 3.84Å; A484-W524 HydrophobicContact CB-CZ3 4.26Å; A484-W524 WeakPolarHBondContact O-CA 3.39Å; A484-W524 VanDerWaalsContact O-CB 3.3Å; A484-W524 WeakPolarHBondContact O-CB 3.21Å; A484-W524 PolarHBondContact O-N 2.58Å; A486-W524 HydrophobicContact CB-CZ3 4.48Å; D499-W524 HydrophobicContact CB-CH2 4.12Å; D499-W524 WeakPolarHBondContact O-CH2 3.42Å; N502-W524 HydrophobicContact CB-CH2 4.19Å; N502-W524 HydrophobicContact CB-CZ3 3.74Å; F503-W524 HydrophobicContact CB-CH2 4.28Å; F503-W524 HydrophobicContact CB-CZ2 4.08Å; F503-W524 HydrophobicContact CD2-CZ2 4.4Å; D522-W524 PolarHBondContact O-N 3.38Å; D522-W524 VanDerWaalsContact O-N 3.17Å; D522-W524 PolarHBondContact OD1-N 2.79Å; W524-M526 VanDerWaalsContact C-N 3.35Å; W524-M526 PolarHBondContact O-N 3.36Å; W524-T527 PolarHBondContact O-N 3.3Å; W524-T527 PolarHBondContact O-OG1 3.02Å; W524-L528 HydrophobicContact CD2-CD1 4.47Å; W524-L528 HydrophobicContact CG-CD1 4.49Å; W524-L528 HydrophobicContact CZ2-CD1 4.18Å; W524-L528 VanDerWaalsContact NE1-CD1 3.3Å; W524-L528 WeakPolarHBondContact O-CG 3.37Å; W524-L528 PolarHBondContact O-N 3.09Å; W524-L528 VanDerWaalsContact O-N 3.08Å
525E97.3Very high97Very high14 Ų1435.4 Ų35.47%0.06521%0.21CC..Hα-helixtrans-68.6-35175.9-66.5-166171.300112.3V158 F321 P322 S323 W331 D522 T527 L528 A529V158-E525 HydrophobicContact CG1-CB 4.31Å; V158-E525 HydrophobicContact CG1-CG 4.49Å; V158-E525 HydrophobicContact CG2-CB 4.17Å; V158-E525 HydrophobicContact CG2-CG 3.75Å; F321-E525 VanDerWaalsContact CE2-OE1 3.24Å; F321-E525 WeakPolarHBondContact CE2-OE1 3.45Å; P322-E525 WeakPolarHBondContact CB-OE2 3.3Å; S323-E525 WeakPolarHBondContact CA-OE2 3.4Å; S323-E525 VanDerWaalsContact CB-OE2 3.23Å; S323-E525 WeakPolarHBondContact CB-OE2 3.21Å; S323-E525 PolarHBondContact N-OE2 3.12Å; S323-E525 PolarHBondContact OG-OE2 2.83Å; W331-E525 HydrophobicContact CH2-CB 3.94Å; D522-E525 PolarHBondContact O-N 2.64Å; D522-E525 WeakPolarHBondContact OD1-CG 3.14Å; D522-E525 PolarHBondContact OD1-N 2.92Å; E525-T527 VanDerWaalsContact C-N 3.28Å; E525-T527 PolarHBondContact O-N 3.43Å; E525-L528 PolarHBondContact O-N 3.44Å; E525-A529 WeakPolarHBondContact O-CB 3.21Å; E525-A529 PolarHBondContact O-N 3.28Å
526M98.4Very high97.1Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-59.7-37.2174.4-77175.6154.400112.4Y326 W331 V521 D522 W524 I542 N545 Q546 M549Y326-M526 HydrophobicContact CE2-CB 4.4Å; Y326-M526 WeakPolarHBondContact CE2-O 3.48Å; W331-M526 HydrophobicContact CB-CE 3.77Å; W331-M526 HydrophobicContact CD2-CE 3.92Å; W331-M526 HydrophobicContact CD2-CG 3.69Å; W331-M526 HydrophobicContact CE3-CG 3.85Å; W331-M526 HydrophobicContact CG-CE 3.36Å; W331-M526 HydrophobicContact CG-CG 4.14Å; W331-M526 HydrophobicContact CH2-CG 4.23Å; W331-M526 HydrophobicContact CZ2-CG 4.08Å; W331-M526 HydrophobicContact CZ3-CG 4.13Å; V521-M526 HydrophobicContact CG1-SD 4.29Å; D522-M526 WeakPolarHBondContact O-CB 3.26Å; D522-M526 VanDerWaalsContact O-CG 3.24Å; D522-M526 WeakPolarHBondContact O-CG 3.44Å; D522-M526 PolarHBondContact O-N 2.92Å; W524-M526 VanDerWaalsContact C-N 3.35Å; W524-M526 PolarHBondContact O-N 3.36Å; M526-I542 HydrophobicContact CB-CG2 4.41Å; M526-N545 HydrophobicContact CE-CB 4.2Å; M526-N545 WeakPolarHBondContact CE-O 3.47Å; M526-Q546 HydrophobicContact SD-CB 4.25Å; M526-Q546 HydrophobicContact SD-CG 3.39Å; M526-Q546 WeakPolarHBondContact SD-CG 3.07Å; M526-M549 HydrophobicContact CE-CB 4.15Å; M526-M549 HydrophobicContact CE-SD 3.88Å
527T98Very high97.1Very high3 Ų335 Ų352%0.01819%0.185CC..Hα-helixtrans-77.6-41.3177.547.40000112.1N485 A486 A523 W524 E525 A529 H530 P538 I542N485-T527 HydrophobicContact CB-CG2 4.06Å; A486-T527 PolarHBondContact N-OG1 2.64Å; A523-T527 WeakPolarHBondContact O-CB 3.16Å; A523-T527 WeakPolarHBondContact O-CG2 3.35Å; A523-T527 PolarHBondContact O-N 3.02Å; A523-T527 PolarHBondContact O-OG1 3.33Å; W524-T527 PolarHBondContact O-N 3.3Å; W524-T527 PolarHBondContact O-OG1 3.02Å; E525-T527 VanDerWaalsContact C-N 3.28Å; E525-T527 PolarHBondContact O-N 3.43Å; T527-A529 PolarHBondContact O-N 2.8Å; T527-H530 PolarHBondContact O-N 3.25Å; T527-P538 HydrophobicContact CG2-CB 3.97Å; T527-P538 HydrophobicContact CG2-CG 4.09Å; T527-I542 HydrophobicContact CG2-CG2 4Å
528L97.8Very high97.3Very high21 Ų2132.3 Ų32.311%0.1116%0.156CC..Hα-helixtrans-67.4-32.9178.4-70.3-178.4000113.9Q145 V158 A486 W524 E525 H534Q145-L528 HydrophobicContact CG-CD2 4.19Å; V158-L528 HydrophobicContact CG1-CB 3.39Å; V158-L528 HydrophobicContact CG1-CD1 4.22Å; V158-L528 HydrophobicContact CG1-CG 4.46Å; A486-L528 HydrophobicContact CB-CD2 3.54Å; A486-L528 HydrophobicContact CB-CG 4.13Å; W524-L528 HydrophobicContact CD2-CD1 4.47Å; W524-L528 HydrophobicContact CG-CD1 4.49Å; W524-L528 HydrophobicContact CZ2-CD1 4.18Å; W524-L528 VanDerWaalsContact NE1-CD1 3.3Å; W524-L528 WeakPolarHBondContact O-CG 3.37Å; W524-L528 PolarHBondContact O-N 3.09Å; W524-L528 VanDerWaalsContact O-N 3.08Å; E525-L528 PolarHBondContact O-N 3.44Å; L528-H534 VanDerWaalsContact CD2-CE1 3.47Å; L528-H534 WeakPolarHBondContact CD2-CE1 3.41Å
529A98.1Very high97.3Very high2 Ų233.3 Ų33.32%0.01716%0.16CC..Hα-helixtrans-76.9-28.4-179.200000112.7G156 V158 Y326 W331 E525 T527G156-A529 WeakPolarHBondContact CA-O 3.38Å; V158-A529 HydrophobicContact CG1-CB 4.21Å; Y326-A529 HydrophobicContact CD2-CB 3.9Å; Y326-A529 HydrophobicContact CE2-CB 4.3Å; W331-A529 HydrophobicContact CZ3-CB 4.04Å; E525-A529 WeakPolarHBondContact O-CB 3.21Å; E525-A529 PolarHBondContact O-N 3.28Å; T527-A529 PolarHBondContact O-N 2.8Å
530H98.1Very high97.3Very high2 Ų234.5 Ų34.51%0.00917%0.17CC..SBendtrans-74.7151.2-173.9-153.3-83.9000112.4R147 Y326 D329 T527 L532 I542R147-H530 VanDerWaalsContact NH1-C 3.3Å; R147-H530 PolarHBondContact NH1-O 3.01Å; Y326-H530 AromaticContact CD1-CD2 3.91Å; Y326-H530 HydrophobicContact CD2-CB 4.45Å; Y326-H530 AromaticContact CE1-CD2 3.64Å; Y326-H530 HydrophobicContact CE2-CB 4.11Å; Y326-H530 AromaticContact CE2-CD2 3.81Å; Y326-H530 AromaticContact CZ-CD2 3.58Å; D329-H530 IonicContact OD1-CE1 3.9Å; D329-H530 IonicContact OD1-NE2 2.75Å; D329-H530 PolarHBondContact OD1-NE2 3.34Å; T527-H530 PolarHBondContact O-N 3.25Å; H530-L532 VanDerWaalsContact C-N 3.28Å; H530-L532 VanDerWaalsContact CE1-CD1 3.46Å; H530-L532 WeakPolarHBondContact CE1-CD1 3.25Å; H530-L532 VanDerWaalsContact ND1-CG 3.33Å; H530-L532 WeakPolarHBondContact ND1-CG 3.44Å; H530-L532 PolarHBondContact ND1-N 2.68Å; H530-L532 PolarHBondContact O-N 3.3Å; H530-I542 HydrophobicContact CB-CD1 3.69Å; H530-I542 HydrophobicContact CB-CG1 4.08Å
531Y96.8Very high97.4Very high97 Ų9734 Ų3438%0.3817%0.169SC..SBendtrans-78.8-9.2178.563.9-99000114.6Q154 D329Q154-Y531 HydrophobicContact CB-CE1 3.97Å; Q154-Y531 HydrophobicContact CG-CE1 3.9Å; Q154-Y531 PolarHBondContact NE2-OH 3.24Å; D329-Y531 WeakPolarHBondContact OD1-CE1 3.25Å; D329-Y531 PolarHBondContact OD2-OH 2.83Å
532L97.6Very high97.4Very high41 Ų4134.2 Ų34.222%0.21517%0.17CC..SBendtrans-76.5154.8-178-71.7172.9000110.1H530 H534 D539 V541H530-L532 VanDerWaalsContact C-N 3.28Å; H530-L532 VanDerWaalsContact CE1-CD1 3.46Å; H530-L532 WeakPolarHBondContact CE1-CD1 3.25Å; H530-L532 VanDerWaalsContact ND1-CG 3.33Å; H530-L532 WeakPolarHBondContact ND1-CG 3.44Å; H530-L532 PolarHBondContact ND1-N 2.68Å; H530-L532 PolarHBondContact O-N 3.3Å; L532-H534 PolarHBondContact O-N 3.31Å; L532-D539 HydrophobicContact CD1-CB 3.81Å; L532-V541 HydrophobicContact CD1-CG1 3.47Å; L532-V541 VanDerWaalsContact CD1-CG1 3.47Å
533P96.2Very high97.5Very high84 Ų8434.2 Ų34.255%0.54517%0.17SC..PPolyproline II helixtrans-55.2140176.5-24.534.6000111.7K535P533-K535 PolarHBondContact O-N 3Å
534H96.9Very high97.5Very high32 Ų3235.6 Ų35.615%0.14818%0.176CC..PPolyproline II helixtrans-67.3132.8176-65-170.9000109.1K288 A486 E488 L528 L532K288-H534 WeakPolarHBondContact CE-ND1 3.38Å; K288-H534 PolarHBondContact NZ-ND1 2.88Å; A486-H534 HydrophobicContact CB-CB 4.21Å; A486-H534 VanDerWaalsContact CB-ND1 3.3Å; A486-H534 WeakPolarHBondContact CB-ND1 3.25Å; E488-H534 WeakPolarHBondContact CA-O 3.39Å; E488-H534 VanDerWaalsContact CB-O 3.3Å; E488-H534 WeakPolarHBondContact CB-O 3.42Å; E488-H534 PolarHBondContact N-O 2.68Å; L528-H534 VanDerWaalsContact CD2-CE1 3.47Å; L528-H534 WeakPolarHBondContact CD2-CE1 3.41Å; L532-H534 PolarHBondContact O-N 3.31Å
535K96.4Very high97.6Very high72 Ų7235 Ų3531%0.31317%0.174SC..  trans-146.3148.3-179.7-64.4175.7-172.7167.80109.4A486 P533 H537 D539A486-K535 CarbonylContact O-C 3.56Å; A486-K535 PolarHBondContact O-N 3.22Å; P533-K535 PolarHBondContact O-N 3Å; K535-H537 WeakPolarHBondContact CB-O 3.42Å; K535-H537 PolarHBondContact O-N 2.86Å; K535-D539 IonicContact NZ-OD1 2.7Å; K535-D539 PolarHBondContact NZ-OD1 3.26Å; K535-D539 IonicContact NZ-OD2 2.63Å; K535-D539 PolarHBondContact NZ-OD2 3.16Å
536L95.4Very high97.6Very high32 Ų3234.4 Ų34.417%0.16817%0.171CC..SBendtrans-49.5-47.2174.2-166.942.5000110.3T363 W445 N485 Q487 P538T363-L536 HydrophobicContact CG2-CD1 3.99Å; T363-L536 HydrophobicContact CG2-CG 4.31Å; W445-L536 HydrophobicContact CH2-CD1 3.46Å; W445-L536 VanDerWaalsContact CH2-CD1 3.46Å; W445-L536 HydrophobicContact CZ2-CD1 3.85Å; W445-L536 HydrophobicContact CZ3-CD1 4.26Å; N485-L536 PolarHBondContact ND2-O 2.84Å; Q487-L536 VanDerWaalsContact CD-CA 3.46Å; Q487-L536 VanDerWaalsContact CD-CB 3.46Å; Q487-L536 VanDerWaalsContact OE1-CD1 3.27Å; Q487-L536 VanDerWaalsContact OE1-N 3.15Å; L536-P538 VanDerWaalsContact O-CD 3.28Å; L536-P538 WeakPolarHBondContact O-CD 3.39Å
537H97.2Very high97.6Very high70 Ų7034.5 Ų34.532%0.32417%0.172SC..SBendtrans-108.187.6179.2-59.5114.9000105.7S362 K535S362-H537 VanDerWaalsContact CB-NE2 3.33Å; S362-H537 WeakPolarHBondContact CB-NE2 3.49Å; S362-H537 PolarHBondContact OG-CE1 3.42Å; S362-H537 PolarHBondContact OG-NE2 2.91Å; K535-H537 WeakPolarHBondContact CB-O 3.42Å; K535-H537 PolarHBondContact O-N 2.86Å
538P97.9Very high97.6Very high4 Ų434.4 Ų34.43%0.02617%0.171CC..  trans-62159.9-179.626.5-36.1000111.1Q366 N485 T527 L536 I542 V543Q366-P538 PolarHBondContact NE2-O 3.02Å; Q366-P538 VanDerWaalsContact NE2-O 3.15Å; N485-P538 WeakPolarHBondContact ND2-CD 3.31Å; T527-P538 HydrophobicContact CG2-CB 3.97Å; T527-P538 HydrophobicContact CG2-CG 4.09Å; L536-P538 VanDerWaalsContact O-CD 3.28Å; L536-P538 WeakPolarHBondContact O-CD 3.39Å; P538-I542 HydrophobicContact CB-CB 4.03Å; P538-I542 HydrophobicContact CB-CD1 4.01Å; P538-I542 HydrophobicContact CB-CG2 4Å; P538-I542 HydrophobicContact CG-CG2 4.17Å; P538-V543 HydrophobicContact CG-CG2 4.21Å
539D97.9Very high97.6Very high50 Ų5034 Ų3427%0.26717%0.169SC..  trans-65.3157.8179.9-65.3-38.3000111.8L532 K535 V541 I542 V543L532-D539 HydrophobicContact CD1-CB 3.81Å; K535-D539 IonicContact NZ-OD1 2.7Å; K535-D539 PolarHBondContact NZ-OD1 3.26Å; K535-D539 IonicContact NZ-OD2 2.63Å; K535-D539 PolarHBondContact NZ-OD2 3.16Å; D539-V541 VanDerWaalsContact C-N 3.28Å; D539-V541 PolarHBondContact O-N 2.85Å; D539-V541 VanDerWaalsContact O-N 3.12Å; D539-I542 PolarHBondContact O-N 3.47Å; D539-V543 PolarHBondContact O-N 3.45Å
540E97.8Very high97.6Very high130 Ų13033.9 Ų33.961%0.60717%0.168SC*.Hα-helixtrans-52.5-39.9-168.2-171.4178.5168.500113.9Y370 I542 V543 K544Y370-E540 HydrophobicContact CD2-CG 3.88Å; Y370-E540 HydrophobicContact CE2-CG 3.71Å; E540-I542 VanDerWaalsContact C-N 3.26Å; E540-I542 PolarHBondContact O-N 2.98Å; E540-V543 CarbonylContact O-C 3.57Å; E540-V543 PolarHBondContact O-N 3.49Å; E540-V543 VanDerWaalsContact O-N 3.09Å; E540-K544 VanDerWaalsContact O-CB 3.31Å; E540-K544 WeakPolarHBondContact O-CB 3.21Å; E540-K544 PolarHBondContact O-N 2.89Å
541V97.9Very high97.6Very high42 Ų4233.8 Ų33.826%0.25517%0.168SC..Hα-helixtrans-58.5-36.3178.666.90000112.8D329 L532 D539 N545D329-V541 HydrophobicContact CB-CG2 3.95Å; L532-V541 HydrophobicContact CD1-CG1 3.47Å; L532-V541 VanDerWaalsContact CD1-CG1 3.47Å; D539-V541 VanDerWaalsContact C-N 3.28Å; D539-V541 PolarHBondContact O-N 2.85Å; D539-V541 VanDerWaalsContact O-N 3.12Å; V541-N545 PolarHBondContact O-N 2.74Å; V541-N545 PolarHBondContact O-ND2 2.96Å
542I98.6Very high97.7Very high4 Ų429.5 Ų29.52%0.02115%0.152CC..Hα-helixtrans-75-41.6177.1-60.8173.7000109.6M526 T527 H530 P538 D539 E540 K544 N545 Q546M526-I542 HydrophobicContact CB-CG2 4.41Å; T527-I542 HydrophobicContact CG2-CG2 4Å; H530-I542 HydrophobicContact CB-CD1 3.69Å; H530-I542 HydrophobicContact CB-CG1 4.08Å; P538-I542 HydrophobicContact CB-CB 4.03Å; P538-I542 HydrophobicContact CB-CD1 4.01Å; P538-I542 HydrophobicContact CB-CG2 4Å; P538-I542 HydrophobicContact CG-CG2 4.17Å; D539-I542 PolarHBondContact O-N 3.47Å; E540-I542 VanDerWaalsContact C-N 3.26Å; E540-I542 PolarHBondContact O-N 2.98Å; I542-K544 VanDerWaalsContact C-N 3.33Å; I542-K544 PolarHBondContact O-N 3.03Å; I542-N545 PolarHBondContact O-N 2.69Å; I542-Q546 WeakPolarHBondContact O-CG 3.49Å; I542-Q546 PolarHBondContact O-N 3.18Å
543V98.6Very high97.6Very high5 Ų528.6 Ų28.63%0.0315%0.146CC..Hα-helixtrans-61.2-42.7176.6178.60000111Q366 Y370 P538 D539 E540 N545 Q546 L547Q366-V543 HydrophobicContact CB-CG1 4.34Å; Q366-V543 HydrophobicContact CB-CG2 4.45Å; Y370-V543 HydrophobicContact CD2-CG1 4.32Å; Y370-V543 HydrophobicContact CG-CG1 4.4Å; P538-V543 HydrophobicContact CG-CG2 4.21Å; D539-V543 PolarHBondContact O-N 3.45Å; E540-V543 CarbonylContact O-C 3.57Å; E540-V543 PolarHBondContact O-N 3.49Å; E540-V543 VanDerWaalsContact O-N 3.09Å; V543-N545 PolarHBondContact O-N 3.01Å; V543-Q546 WeakPolarHBondContact O-CB 3.21Å; V543-Q546 PolarHBondContact O-N 3.47Å; V543-L547 HydrophobicContact CG1-CD1 4.39Å; V543-L547 PolarHBondContact O-N 2.5Å
544K98.2Very high97.6Very high28 Ų2825 Ų2512%0.12212%0.123CC..Hα-helixtrans-57.4-47.6174.4-173.8-81.3-169.6-148.80111.3N342 Y370 E540 I542 Q546 L547 D548N342-K544 VanDerWaalsContact OD1-CE 3.3Å; N342-K544 WeakPolarHBondContact OD1-CE 3.3Å; N342-K544 PolarHBondContact OD1-NZ 2.97Å; Y370-K544 HydrophobicContact CE2-CB 3.82Å; Y370-K544 HydrophobicContact CE2-CG 4.17Å; Y370-K544 WeakPolarHBondContact OH-CG 3.31Å; E540-K544 VanDerWaalsContact O-CB 3.31Å; E540-K544 WeakPolarHBondContact O-CB 3.21Å; E540-K544 PolarHBondContact O-N 2.89Å; I542-K544 VanDerWaalsContact C-N 3.33Å; I542-K544 PolarHBondContact O-N 3.03Å; K544-Q546 VanDerWaalsContact C-N 3.35Å; K544-Q546 PolarHBondContact O-N 2.85Å; K544-L547 CarbonylContact O-C 3.58Å; K544-L547 PolarHBondContact O-N 3.35Å; K544-L547 VanDerWaalsContact O-N 3.15Å; K544-D548 WeakPolarHBondContact CD-OD2 3.2Å; K544-D548 IonicContact NZ-OD1 3.05Å; K544-D548 PolarHBondContact NZ-OD1 3.45Å; K544-D548 IonicContact NZ-OD2 2.87Å; K544-D548 PolarHBondContact NZ-OD2 3.3Å; K544-D548 PolarHBondContact O-N 3.08Å
545N98.4Very high97.5Very high3 Ų324.4 Ų24.42%0.01612%0.121CC..Hα-helixtrans-65.1-36177-83.6-82.7000112.9Y326 D329 Q330 W331 M526 V541 I542 V543 L547 D548 M549Y326-N545 HydrophobicContact CE1-CB 4.27Å; D329-N545 PolarHBondContact O-ND2 3.1Å; Q330-N545 WeakPolarHBondContact CA-OD1 3.42Å; W331-N545 HydrophobicContact CB-CB 4.04Å; W331-N545 WeakPolarHBondContact CB-OD1 3.39Å; W331-N545 PolarHBondContact N-OD1 2.89Å; M526-N545 HydrophobicContact CE-CB 4.2Å; M526-N545 WeakPolarHBondContact CE-O 3.47Å; V541-N545 PolarHBondContact O-N 2.74Å; V541-N545 PolarHBondContact O-ND2 2.96Å; I542-N545 PolarHBondContact O-N 2.69Å; V543-N545 PolarHBondContact O-N 3.01Å; N545-L547 VanDerWaalsContact C-N 3.31Å; N545-D548 PolarHBondContact O-N 2.91Å; N545-M549 PolarHBondContact O-N 3.34Å; N545-M549 VanDerWaalsContact O-N 3.14Å
546Q98.4Very high97.1Very high0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-61.2-42.1171.5-69.917216.500111.2W367 R482 V521 A523 M526 I542 V543 K544 M549 F550W367-Q546 HydrophobicContact CZ2-CB 3.96Å; R482-Q546 VanDerWaalsContact NE-OE1 3.12Å; V521-Q546 HydrophobicContact CG1-CB 3.95Å; V521-Q546 HydrophobicContact CG1-CG 4.07Å; A523-Q546 HydrophobicContact CB-CG 4.35Å; M526-Q546 HydrophobicContact SD-CB 4.25Å; M526-Q546 HydrophobicContact SD-CG 3.39Å; M526-Q546 WeakPolarHBondContact SD-CG 3.07Å; I542-Q546 WeakPolarHBondContact O-CG 3.49Å; I542-Q546 PolarHBondContact O-N 3.18Å; V543-Q546 WeakPolarHBondContact O-CB 3.21Å; V543-Q546 PolarHBondContact O-N 3.47Å; K544-Q546 VanDerWaalsContact C-N 3.35Å; K544-Q546 PolarHBondContact O-N 2.85Å; Q546-M549 PolarHBondContact O-N 3.33Å; Q546-F550 WeakPolarHBondContact O-CB 3.46Å; Q546-F550 PolarHBondContact O-N 2.89Å
547L98.5Very high96.3Very high2 Ų227.8 Ų27.81%0.0115%0.148CC..Hα-helixtrans-70.4-38.4177.3-83171.1000113.3W367 Y370 L371 V543 K544 N545 M549 F550 L551W367-L547 HydrophobicContact CB-CD2 3.93Å; W367-L547 HydrophobicContact CB-CG 4.41Å; W367-L547 HydrophobicContact CD2-CD2 3.88Å; W367-L547 HydrophobicContact CD2-CG 4.33Å; W367-L547 HydrophobicContact CE3-CD2 4.07Å; W367-L547 HydrophobicContact CG-CD2 3.83Å; W367-L547 HydrophobicContact CG-CG 4.07Å; Y370-L547 HydrophobicContact CD1-CD1 3.12Å; Y370-L547 HydrophobicContact CD2-CD1 4.44Å; Y370-L547 HydrophobicContact CE1-CD1 3.87Å; Y370-L547 HydrophobicContact CG-CD1 3.48Å; Y370-L547 VanDerWaalsContact CG-CD1 3.48Å; L371-L547 HydrophobicContact CD1-CD2 4.05Å; L371-L547 HydrophobicContact CD2-CD1 4.28Å; L371-L547 HydrophobicContact CD2-CD2 4.21Å; L371-L547 HydrophobicContact CG-CD1 4.13Å; L371-L547 HydrophobicContact CG-CD2 4.07Å; V543-L547 HydrophobicContact CG1-CD1 4.39Å; V543-L547 PolarHBondContact O-N 2.5Å; K544-L547 CarbonylContact O-C 3.58Å; K544-L547 PolarHBondContact O-N 3.35Å; K544-L547 VanDerWaalsContact O-N 3.15Å; N545-L547 VanDerWaalsContact C-N 3.31Å; L547-M549 VanDerWaalsContact C-N 3.25Å; L547-M549 PolarHBondContact O-N 3.11Å; L547-F550 HydrophobicContact CD2-CD1 3.88Å; L547-F550 PolarHBondContact O-N 2.64Å; L547-L551 WeakPolarHBondContact O-CB 3.35Å; L547-L551 VanDerWaalsContact O-CG 3.27Å; L547-L551 WeakPolarHBondContact O-CG 3.49Å; L547-L551 PolarHBondContact O-N 3.42Å
548D98.1Very high94.7Very high2 Ų234.2 Ų34.21%0.01118%0.178CC..Hα-helixtrans-56.9-43.6172-76.6-27.2000111.2M338 Q340 F341 K544 N545 S552M338-D548 HydrophobicContact CE-CB 3.71Å; M338-D548 HydrophobicContact CG-CB 4.34Å; M338-D548 HydrophobicContact SD-CB 4.07Å; Q340-D548 PolarHBondContact OE1-OD2 3.1Å; F341-D548 HydrophobicContact CD2-CB 4.43Å; F341-D548 PolarHBondContact N-OD1 3.21Å; K544-D548 WeakPolarHBondContact CD-OD2 3.2Å; K544-D548 IonicContact NZ-OD1 3.05Å; K544-D548 PolarHBondContact NZ-OD1 3.45Å; K544-D548 IonicContact NZ-OD2 2.87Å; K544-D548 PolarHBondContact NZ-OD2 3.3Å; K544-D548 PolarHBondContact O-N 3.08Å; N545-D548 PolarHBondContact O-N 2.91Å; D548-S552 VanDerWaalsContact O-CB 3.28Å; D548-S552 WeakPolarHBondContact O-CB 3.41Å; D548-S552 PolarHBondContact O-N 3.1Å; D548-S552 PolarHBondContact O-OG 3.18Å
549M97.3Very high92.3Very high12 Ų1243.9 Ų43.96%0.05924%0.237CC..Hα-helixtrans-66.4-46.2178-167.6174.4179.500111.1F336 M338 L520 V521 M526 N545 Q546 L547 S552 F553F336-M549 HydrophobicContact CE1-CE 4.09Å; F336-M549 HydrophobicContact CZ-CE 4.19Å; F336-M549 HydrophobicContact CZ-CG 4.18Å; M338-M549 HydrophobicContact SD-CB 3.75Å; M338-M549 HydrophobicContact SD-CG 4.29Å; L520-M549 WeakPolarHBondContact O-CE 3.36Å; V521-M549 HydrophobicContact CB-SD 4.45Å; V521-M549 HydrophobicContact CG1-SD 4.24Å; V521-M549 HydrophobicContact CG2-CB 4.23Å; V521-M549 HydrophobicContact CG2-CG 4.12Å; V521-M549 HydrophobicContact CG2-SD 4.35Å; M526-M549 HydrophobicContact CE-CB 4.15Å; M526-M549 HydrophobicContact CE-SD 3.88Å; N545-M549 PolarHBondContact O-N 3.34Å; N545-M549 VanDerWaalsContact O-N 3.14Å; Q546-M549 PolarHBondContact O-N 3.33Å; L547-M549 VanDerWaalsContact C-N 3.25Å; L547-M549 PolarHBondContact O-N 3.11Å; M549-S552 PolarHBondContact O-N 2.59Å; M549-F553 HydrophobicContact CE-CE2 3.98Å; M549-F553 HydrophobicContact CE-CZ 3.69Å; M549-F553 HydrophobicContact CG-CE2 3.77Å; M549-F553 HydrophobicContact CG-CZ 4.09Å; M549-F553 WeakPolarHBondContact O-CD2 3.34Å; M549-F553 PolarHBondContact O-N 3.25Å
550F98.4Very high92Very high0 Ų043.6 Ų43.60%024%0.236CC..Hα-helixtrans-56-52.7174.4165.5-109.3000112.1V356 W367 V439 A441 V480 V521 Q546 L547 S552 F553 V554V356-F550 HydrophobicContact CG1-CZ 3.94Å; W367-F550 HydrophobicContact CE3-CB 4.4Å; W367-F550 HydrophobicContact CE3-CD1 4.3Å; W367-F550 HydrophobicContact CE3-CD2 4.31Å; W367-F550 HydrophobicContact CE3-CG 4.08Å; W367-F550 HydrophobicContact CH2-CB 3.8Å; W367-F550 HydrophobicContact CH2-CD2 4.2Å; W367-F550 HydrophobicContact CH2-CG 4.13Å; W367-F550 HydrophobicContact CZ3-CB 3.71Å; W367-F550 HydrophobicContact CZ3-CD1 4.19Å; W367-F550 AromaticContact CZ3-CD2 3.5Å; W367-F550 HydrophobicContact CZ3-CD2 3.5Å; W367-F550 VanDerWaalsContact CZ3-CD2 3.5Å; W367-F550 HydrophobicContact CZ3-CE2 4.15Å; W367-F550 AromaticContact CZ3-CG 3.52Å; W367-F550 HydrophobicContact CZ3-CG 3.52Å; V439-F550 HydrophobicContact CG1-CE2 3.62Å; V439-F550 HydrophobicContact CG1-CZ 3.56Å; A441-F550 HydrophobicContact CB-CD2 4.46Å; A441-F550 HydrophobicContact CB-CE2 3.98Å; V480-F550 HydrophobicContact CB-CD2 3.98Å; V480-F550 HydrophobicContact CB-CE2 4.27Å; V480-F550 HydrophobicContact CG1-CD2 4.09Å; V480-F550 HydrophobicContact CG2-CD2 3.72Å; V480-F550 HydrophobicContact CG2-CE2 3.9Å; V521-F550 HydrophobicContact CG2-CB 4.25Å; Q546-F550 WeakPolarHBondContact O-CB 3.46Å; Q546-F550 PolarHBondContact O-N 2.89Å; L547-F550 HydrophobicContact CD2-CD1 3.88Å; L547-F550 PolarHBondContact O-N 2.64Å; F550-S552 VanDerWaalsContact C-N 3.31Å; F550-S552 PolarHBondContact O-N 3.29Å; F550-F553 WeakPolarHBondContact O-CB 3.42Å; F550-F553 PolarHBondContact O-N 2.92Å; F550-F553 VanDerWaalsContact O-N 3.08Å; F550-V554 HydrophobicContact CD2-CG2 4.3Å; F550-V554 HydrophobicContact CE1-CG2 4.27Å; F550-V554 HydrophobicContact CE2-CG2 3.87Å; F550-V554 HydrophobicContact CZ-CG2 3.86Å; F550-V554 WeakPolarHBondContact O-CG2 3.29Å; F550-V554 PolarHBondContact O-N 3.33Å
551L98.3Very high91.7Very high0 Ų039.1 Ų39.10%022%0.216CC..Hα-helixtrans-66-34.1-179-67.4171.2000111.5F341 I347 L351 L547 F553 V554 C555F341-L551 HydrophobicContact CB-CD1 4.1Å; F341-L551 HydrophobicContact CD1-CB 4.34Å; F341-L551 HydrophobicContact CD1-CD1 3.9Å; F341-L551 HydrophobicContact CD2-CB 3.78Å; F341-L551 HydrophobicContact CD2-CD1 3.94Å; F341-L551 HydrophobicContact CE1-CB 3.99Å; F341-L551 HydrophobicContact CE1-CD1 4.32Å; F341-L551 HydrophobicContact CE2-CB 3.35Å; F341-L551 HydrophobicContact CE2-CD1 4.34Å; F341-L551 HydrophobicContact CE2-CG 4.5Å; F341-L551 HydrophobicContact CG-CB 4.25Å; F341-L551 HydrophobicContact CG-CD1 3.7Å; F341-L551 HydrophobicContact CZ-CB 3.48Å; F341-L551 VanDerWaalsContact CZ-CB 3.48Å; I347-L551 HydrophobicContact CB-CD1 4.38Å; I347-L551 HydrophobicContact CD1-CD1 3.92Å; I347-L551 HydrophobicContact CG1-CD1 3.79Å; I347-L551 HydrophobicContact CG2-CD1 3.99Å; I347-L551 HydrophobicContact CG2-CD2 4.37Å; L351-L551 HydrophobicContact CD1-CD2 4.21Å; L351-L551 HydrophobicContact CD2-CD2 3.77Å; L351-L551 HydrophobicContact CG-CD2 4Å; L547-L551 WeakPolarHBondContact O-CB 3.35Å; L547-L551 VanDerWaalsContact O-CG 3.27Å; L547-L551 WeakPolarHBondContact O-CG 3.49Å; L547-L551 PolarHBondContact O-N 3.42Å; L551-F553 PolarHBondContact O-N 2.91Å; L551-V554 PolarHBondContact O-N 2.86Å; L551-C555 PolarHBondContact O-N 2.83Å; L551-C555 PolarHBondContact O-SG 2.86Å
552S96.8Very high91.3Very high7 Ų738.9 Ų38.95%0.04921%0.214CC..Hα-helixtrans-60.4-29.7172.8-61.70000113.1M338 R339 D548 M549 F550 P556M338-S552 WeakPolarHBondContact CG-OG 3.48Å; R339-S552 PolarHBondContact N-OG 2.87Å; D548-S552 VanDerWaalsContact O-CB 3.28Å; D548-S552 WeakPolarHBondContact O-CB 3.41Å; D548-S552 PolarHBondContact O-N 3.1Å; D548-S552 PolarHBondContact O-OG 3.18Å; M549-S552 PolarHBondContact O-N 2.59Å; F550-S552 VanDerWaalsContact C-N 3.31Å; F550-S552 PolarHBondContact O-N 3.29Å; S552-P556 WeakPolarHBondContact O-CA 3.23Å
553F96.4Very high90.9Very high22 Ų2240.9 Ų40.910%0.09623%0.225CC..Hα-helixtrans-78.6-31.4172.2-61.8-49.1000113.1F336 V480 Y519 V521 M549 F550 L551F336-F553 HydrophobicContact CD1-CE1 4.32Å; F336-F553 AromaticContact CE1-CE1 3.47Å; F336-F553 HydrophobicContact CE1-CE1 3.47Å; F336-F553 VanDerWaalsContact CE1-CE1 3.47Å; F336-F553 AromaticContact CE1-CZ 3.62Å; F336-F553 HydrophobicContact CE1-CZ 3.62Å; F336-F553 HydrophobicContact CE2-CD1 4.44Å; F336-F553 AromaticContact CE2-CE1 3.95Å; F336-F553 HydrophobicContact CE2-CE1 3.95Å; F336-F553 HydrophobicContact CE2-CZ 4.49Å; F336-F553 HydrophobicContact CZ-CD1 4.11Å; F336-F553 AromaticContact CZ-CE1 3.25Å; F336-F553 HydrophobicContact CZ-CE1 3.25Å; F336-F553 HydrophobicContact CZ-CE2 4.41Å; F336-F553 AromaticContact CZ-CZ 3.45Å; F336-F553 HydrophobicContact CZ-CZ 3.45Å; F336-F553 VanDerWaalsContact CZ-CZ 3.45Å; V480-F553 HydrophobicContact CG1-CD2 4.4Å; Y519-F553 HydrophobicContact CD1-CB 4.23Å; Y519-F553 AromaticContact CD1-CD1 3.32Å; Y519-F553 HydrophobicContact CD1-CD1 3.32Å; Y519-F553 HydrophobicContact CD1-CD2 4.45Å; Y519-F553 AromaticContact CD1-CE1 3.63Å; Y519-F553 HydrophobicContact CD1-CE1 3.63Å; Y519-F553 AromaticContact CD1-CG 3.78Å; Y519-F553 HydrophobicContact CD1-CG 3.78Å; Y519-F553 HydrophobicContact CD1-CZ 4.3Å; Y519-F553 HydrophobicContact CD2-CB 3.86Å; Y519-F553 HydrophobicContact CD2-CD1 4.47Å; Y519-F553 HydrophobicContact CD2-CG 4.19Å; Y519-F553 AromaticContact CE1-CD1 3.85Å; Y519-F553 HydrophobicContact CE1-CD1 3.85Å; Y519-F553 HydrophobicContact CE1-CE1 4.35Å; Y519-F553 HydrophobicContact CE1-CG 4.48Å; Y519-F553 HydrophobicContact CE2-CB 4.3Å; Y519-F553 HydrophobicContact CG-CB 3.81Å; Y519-F553 AromaticContact CG-CD1 3.68Å; Y519-F553 HydrophobicContact CG-CD1 3.68Å; Y519-F553 HydrophobicContact CG-CD2 4.06Å; Y519-F553 HydrophobicContact CG-CE1 4.19Å; Y519-F553 AromaticContact CG-CG 3.6Å; Y519-F553 HydrophobicContact CG-CG 3.6Å; V521-F553 HydrophobicContact CG2-CD2 4.37Å; V521-F553 HydrophobicContact CG2-CE2 4.04Å; M549-F553 HydrophobicContact CE-CE2 3.98Å; M549-F553 HydrophobicContact CE-CZ 3.69Å; M549-F553 HydrophobicContact CG-CE2 3.77Å; M549-F553 HydrophobicContact CG-CZ 4.09Å; M549-F553 WeakPolarHBondContact O-CD2 3.34Å; M549-F553 PolarHBondContact O-N 3.25Å; F550-F553 WeakPolarHBondContact O-CB 3.42Å; F550-F553 PolarHBondContact O-N 2.92Å; F550-F553 VanDerWaalsContact O-N 3.08Å; L551-F553 PolarHBondContact O-N 2.91Å
554V97.1Very high90.4Very high9 Ų943.2 Ų43.26%0.05524%0.238CC..Hα-helixtrans-75.4-37.8-179.7174.20000112.1L351 K354 V439 V478 F550 L551L351-V554 HydrophobicContact CD2-CG1 4.06Å; K354-V554 HydrophobicContact CD-CG1 3.73Å; V439-V554 HydrophobicContact CB-CG2 4.49Å; V439-V554 HydrophobicContact CG1-CG2 3.57Å; V439-V554 HydrophobicContact CG2-CG1 3.74Å; V439-V554 HydrophobicContact CG2-CG2 4.08Å; V478-V554 HydrophobicContact CG1-CG2 4.14Å; F550-V554 HydrophobicContact CD2-CG2 4.3Å; F550-V554 HydrophobicContact CE1-CG2 4.27Å; F550-V554 HydrophobicContact CE2-CG2 3.87Å; F550-V554 HydrophobicContact CZ-CG2 3.86Å; F550-V554 WeakPolarHBondContact O-CG2 3.29Å; F550-V554 PolarHBondContact O-N 3.33Å; L551-V554 PolarHBondContact O-N 2.86Å
555C94.3Very high89.9Confident18 Ų1844.2 Ų44.212%0.12225%0.245CC..SBendtrans-134.175.5-179.955.10000109.9R339 F341 C350 L551R339-C555 PolarHBondContact NH1-O 3.33Å; R339-C555 PolarHBondContact NH1-SG 3.49Å; F341-C555 VanDerWaalsContact CZ-SG 3.56Å; C350-C555 HydrophobicContact CB-CB 3.91Å; C350-C555 WeakPolarHBondContact CB-SG 3.31Å; C350-C555 WeakPolarHBondContact SG-CB 3.47Å; C350-C555 CovalentContact SG-SG 2.03Å; C350-C555 PolarHBondContact SG-SG 3.11Å; L551-C555 PolarHBondContact O-N 2.83Å; L551-C555 PolarHBondContact O-SG 2.86Å
556P87.2Confident89.3Confident89 Ų8947.1 Ų47.158%0.57826%0.262SS*.PPolyproline II helixtrans-61.8157.2178.527.7-34.8000111.1S552S552-P556 WeakPolarHBondContact O-CA 3.23Å
557L79.4Confident88.6Confident86 Ų8650.8 Ų50.845%0.4528%0.282SS..PPolyproline II helixtrans-63.4137.6168.9-67.3169.1000108.7K337 R339 T559K337-L557 HydrophobicContact CD-CD1 4.22Å; R339-L557 HydrophobicContact CG-CD1 4.36Å; R339-L557 HydrophobicContact CG-CD2 3.96Å; R339-L557 HydrophobicContact CG-CG 3.94Å; L557-T559 PolarHBondContact O-N 3.07Å; L557-T559 VanDerWaalsContact O-N 3.11Å
558E64Low87.8Confident206 Ų20654.8 Ų54.896%0.96330%0.304SS*.PPolyproline II helixtrans-58.8117.3166.9-66-175.916900107.7
559T46Very low86.8Confident207 Ų20759.6 Ų59.6100%1.2733%0.331SS*.  trans-86.70178.3490000111.4L557L557-T559 PolarHBondContact O-N 3.07Å; L557-T559 VanDerWaalsContact O-N 3.11Å

Retrieved 559 of 559 residues in 186.6 ms (Link to these results)

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