A0A077Z6R3_TRITR Loading...

UDP glucuronic acid decarboxylase 1

AlphaFold DB , UniProt , Accession A0A077Z6R3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 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
1M50Low70.1Confident234 Ų234119.1 Ų119.1100%1.15360%0.603SS**  0-8.70-112.3178.9-103.400114.1
2N73.4Confident70.9Confident116 Ų116121.8 Ų121.862%0.6261%0.608SS**  trans-88.1-34.9-172-153.80.4000114.6L4 E5 V6N2-L4 PolarHBondContact O-N 3.12Å; N2-E5 PolarHBondContact O-N 3.05Å; N2-V6 PolarHBondContact O-N 3.41Å
3D63.8Low71.6Confident127 Ų127117.2 Ų117.268%0.67959%0.594SS**Hα-helixtrans-68.4-35.3-172.9-56.5-40.1000113.8E5 V6 I7D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 2.96Å; D3-V6 PolarHBondContact O-N 3.09Å; D3-I7 WeakPolarHBondContact O-CG1 3.43Å; D3-I7 PolarHBondContact O-N 3.24Å
4L67.9Low71.9Confident114 Ų114116.9 Ų116.960%0.59759%0.59SS**Hα-helixtrans-69.4-27.7-178.3-151.9124.8000112.1N2 K8N2-L4 PolarHBondContact O-N 3.12Å; L4-K8 HydrophobicContact CD2-CD 4.31Å; L4-K8 WeakPolarHBondContact O-CG 3.46Å; L4-K8 PolarHBondContact O-N 3.25Å
5E73.4Confident72.4Confident102 Ų102115.7 Ų115.748%0.47759%0.586SS.*Hα-helixtrans-76.1-38176-143.3-158.5137.300111.5N2 D3 K8 K9N2-E5 PolarHBondContact O-N 3.05Å; D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 2.96Å; E5-K8 PolarHBondContact O-N 2.94Å; E5-K9 PolarHBondContact O-N 3.03Å; E5-K9 WeakPolarHBondContact OE1-CE 3.11Å; E5-K9 IonicContact OE1-NZ 3.3Å; E5-K9 PolarHBondContact OE1-NZ 3.09Å
6V72.3Confident72.8Confident79 Ų79113.4 Ų113.448%0.47958%0.576SS.*Hα-helixtrans-63-46.8174.3176.60000110.7N2 D3 K8 K9 T10N2-V6 PolarHBondContact O-N 3.41Å; D3-V6 PolarHBondContact O-N 3.09Å; V6-K8 VanDerWaalsContact C-N 3.34Å; V6-K8 PolarHBondContact O-N 3.5Å; V6-K9 PolarHBondContact O-N 3.33Å; V6-T10 PolarHBondContact O-N 3.26Å; V6-T10 PolarHBondContact O-OG1 3.4Å; V6-T10 VanDerWaalsContact O-OG1 3.12Å
7I68.1Low72.8Confident100 Ų100114.5 Ų114.551%0.51358%0.578SS.*Hα-helixtrans-59.1-44.8177.5-67.6167.6000111D3 K9 T10 L11D3-I7 WeakPolarHBondContact O-CG1 3.43Å; D3-I7 PolarHBondContact O-N 3.24Å; I7-K9 PolarHBondContact O-N 3.46Å; I7-T10 PolarHBondContact O-N 2.92Å; I7-L11 HydrophobicContact CG2-CD1 3.88Å; I7-L11 HydrophobicContact CG2-CG 4.4Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 2.93Å
8K76Confident72.7Confident135 Ų135112.8 Ų112.859%0.58757%0.57SS**Hα-helixtrans-61.4-40.3177.1-77.3175.6177.4178.10112.5L4 E5 V6 K12L4-K8 HydrophobicContact CD2-CD 4.31Å; L4-K8 WeakPolarHBondContact O-CG 3.46Å; L4-K8 PolarHBondContact O-N 3.25Å; E5-K8 PolarHBondContact O-N 2.94Å; V6-K8 VanDerWaalsContact C-N 3.34Å; V6-K8 PolarHBondContact O-N 3.5Å; K8-K12 WeakPolarHBondContact O-CB 3.34Å; K8-K12 PolarHBondContact O-N 3.46Å; K8-K12 VanDerWaalsContact O-N 3.09Å
9K77.3Confident73Confident134 Ų134114.3 Ų114.358%0.58357%0.573SS**Hα-helixtrans-65.3-42176.2-76.7174.7-175.2158.10111.7E5 V6 I7 K12 S13E5-K9 PolarHBondContact O-N 3.03Å; E5-K9 WeakPolarHBondContact OE1-CE 3.11Å; E5-K9 IonicContact OE1-NZ 3.3Å; E5-K9 PolarHBondContact OE1-NZ 3.09Å; V6-K9 PolarHBondContact O-N 3.33Å; I7-K9 PolarHBondContact O-N 3.46Å; K9-K12 PolarHBondContact O-N 3.48Å; K9-S13 PolarHBondContact O-N 2.91Å
10T73.5Confident73Confident72 Ų72118 Ų11844%0.44258%0.579SS.*Hα-helixtrans-64.6-47177.8-56.80000112.1V6 I7 K12 S13 Q14V6-T10 PolarHBondContact O-N 3.26Å; V6-T10 PolarHBondContact O-OG1 3.4Å; V6-T10 VanDerWaalsContact O-OG1 3.12Å; I7-T10 PolarHBondContact O-N 2.92Å; T10-K12 VanDerWaalsContact C-N 3.34Å; T10-K12 PolarHBondContact O-N 2.94Å; T10-S13 WeakPolarHBondContact O-CB 3.43Å; T10-S13 PolarHBondContact O-N 2.97Å; T10-Q14 PolarHBondContact O-N 3.02Å
11L75.1Confident72.8Confident97 Ų97118.2 Ų118.251%0.50858%0.578SS.*Hα-helixtrans-61-42.7177.4-71.4170.7000111.7I7 S13 Q14 D15I7-L11 HydrophobicContact CG2-CD1 3.88Å; I7-L11 HydrophobicContact CG2-CG 4.4Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 2.93Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 3.22Å; L11-Q14 PolarHBondContact O-N 2.85Å; L11-D15 PolarHBondContact O-N 3.23Å
12K80.1Confident73.8Confident151 Ų151115 Ų11566%0.65755%0.552SS**Hα-helixtrans-64.5-33.4176.9-164.9174.8-175.4178.70112.8K8 K9 T10 N16K8-K12 WeakPolarHBondContact O-CB 3.34Å; K8-K12 PolarHBondContact O-N 3.46Å; K8-K12 VanDerWaalsContact O-N 3.09Å; K9-K12 PolarHBondContact O-N 3.48Å; T10-K12 VanDerWaalsContact C-N 3.34Å; T10-K12 PolarHBondContact O-N 2.94Å; K12-N16 PolarHBondContact O-N 2.81Å; K12-N16 PolarHBondContact O-ND2 3.36Å
13S79.3Confident73.8Confident62 Ų62112.4 Ų112.443%0.43455%0.548SS..Hα-helixtrans-66.2-45.6173.81800000111.8K9 T10 L11 N16 Q17K9-S13 PolarHBondContact O-N 2.91Å; T10-S13 WeakPolarHBondContact O-CB 3.43Å; T10-S13 PolarHBondContact O-N 2.97Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 3.22Å; S13-N16 PolarHBondContact O-N 3.43Å; S13-Q17 PolarHBondContact O-N 3.22Å
14Q76.5Confident74.1Confident113 Ų113110.2 Ų110.253%0.52854%0.535SS..Hα-helixtrans-63.1-43.4178-71.5-179.6-17.500112T10 L11 N16 Q17 L18T10-Q14 PolarHBondContact O-N 3.02Å; L11-Q14 PolarHBondContact O-N 2.85Å; Q14-N16 VanDerWaalsContact C-N 3.3Å; Q14-N16 PolarHBondContact O-N 2.79Å; Q14-Q17 PolarHBondContact O-N 3.05Å; Q14-L18 PolarHBondContact O-N 2.99Å
15D79.1Confident73.9Confident99 Ų99109 Ų10953%0.52953%0.529SS..Hα-helixtrans-59.9-39.5174.6-89.2-11.4000112.5L11 L18 K19L11-D15 PolarHBondContact O-N 3.23Å; D15-L18 PolarHBondContact O-N 3.46Å; D15-K19 WeakPolarHBondContact O-CG 3.38Å; D15-K19 PolarHBondContact O-N 3.34Å
16N79.6Confident73.9Confident80 Ų80107.8 Ų107.843%0.42854%0.536SS..Hα-helixtrans-67.9-38.1176.4-80.1-22.1000112.3K12 S13 Q14 K19 R20K12-N16 PolarHBondContact O-N 2.81Å; K12-N16 PolarHBondContact O-ND2 3.36Å; S13-N16 PolarHBondContact O-N 3.43Å; Q14-N16 VanDerWaalsContact C-N 3.3Å; Q14-N16 PolarHBondContact O-N 2.79Å; N16-K19 PolarHBondContact O-N 3.5Å; N16-R20 WeakPolarHBondContact O-CG 3.36Å; N16-R20 PolarHBondContact O-N 3.41Å
17Q72.5Confident74.1Confident131 Ų131107.4 Ų107.461%0.61253%0.531SS*.Hα-helixtrans-64.1-43.6173.3-73.4-169.2-17.400111.4S13 Q14 K19 R20 F21S13-Q17 PolarHBondContact O-N 3.22Å; Q14-Q17 PolarHBondContact O-N 3.05Å; Q17-K19 VanDerWaalsContact C-N 3.35Å; Q17-K19 PolarHBondContact O-N 3.28Å; Q17-R20 PolarHBondContact O-N 2.91Å; Q17-F21 PolarHBondContact O-N 3.01Å
18L71.5Confident73.9Confident84 Ų84111.5 Ų111.544%0.4455%0.545SS..Hα-helixtrans-64.2-39.4178.2-164.769.8000111.8Q14 D15 F21 R22Q14-L18 PolarHBondContact O-N 2.99Å; D15-L18 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 3.25Å; L18-R22 WeakPolarHBondContact O-CG 3.24Å; L18-R22 PolarHBondContact O-N 3.19Å
19K77.4Confident73.5Confident142 Ų142114.8 Ų114.862%0.61755%0.554SS**Hα-helixtrans-62.2-43.4172.7-77.8177.6-178.1176.40112.3D15 N16 Q17 F21 R22 A23D15-K19 WeakPolarHBondContact O-CG 3.38Å; D15-K19 PolarHBondContact O-N 3.34Å; N16-K19 PolarHBondContact O-N 3.5Å; Q17-K19 VanDerWaalsContact C-N 3.35Å; Q17-K19 PolarHBondContact O-N 3.28Å; K19-F21 VanDerWaalsContact C-N 3.35Å; K19-R22 PolarHBondContact O-N 2.9Å; K19-A23 WeakPolarHBondContact O-CB 3.48Å; K19-A23 PolarHBondContact O-N 2.98Å
20R74Confident72.4Confident187 Ų187111.9 Ų111.971%0.70655%0.545SS*.Hα-helixtrans-62.1-43.1175.3-75.1178.2179.1-170.90.1111.4N16 Q17 A23 I24N16-R20 WeakPolarHBondContact O-CG 3.36Å; N16-R20 PolarHBondContact O-N 3.41Å; Q17-R20 PolarHBondContact O-N 2.91Å; R20-A23 PolarHBondContact O-N 3.23Å; R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.31Å; R20-I24 PolarHBondContact O-N 3.25Å
21F67.6Low71.6Confident124 Ų124111.2 Ų111.254%0.54454%0.54SS..Hα-helixtrans-63.9-43.4178-162.7-101.4000111.9Q17 L18 K19 A23 I24 L25Q17-F21 PolarHBondContact O-N 3.01Å; L18-F21 PolarHBondContact O-N 3.25Å; K19-F21 VanDerWaalsContact C-N 3.35Å; F21-A23 VanDerWaalsContact C-N 3.34Å; F21-A23 PolarHBondContact O-N 3.19Å; F21-I24 PolarHBondContact O-N 3.37Å; F21-L25 HydrophobicContact CD1-CD1 3.79Å; F21-L25 HydrophobicContact CD1-CG 4.39Å; F21-L25 HydrophobicContact CE1-CD1 3.62Å; F21-L25 HydrophobicContact CE1-CG 4.25Å; F21-L25 WeakPolarHBondContact O-CG 3.46Å; F21-L25 PolarHBondContact O-N 3.05Å
22R71.6Confident70.7Confident165 Ų165112 Ų11262%0.62355%0.545SS*.Hα-helixtrans-62.6-38.2173.4-73.7178.8179.6169.51.4112.6L18 K19 L25 A26L18-R22 WeakPolarHBondContact O-CG 3.24Å; L18-R22 PolarHBondContact O-N 3.19Å; K19-R22 PolarHBondContact O-N 2.9Å; R22-L25 PolarHBondContact O-N 3.4Å; R22-A26 WeakPolarHBondContact O-CB 3.42Å; R22-A26 PolarHBondContact O-N 3.18Å
23A73.4Confident69.5Low63 Ų63110.3 Ų110.352%0.52154%0.542SS..Hα-helixtrans-65.1-40.1175.700000112K19 R20 F21 L25 A26 D27K19-A23 WeakPolarHBondContact O-CB 3.48Å; K19-A23 PolarHBondContact O-N 2.98Å; R20-A23 PolarHBondContact O-N 3.23Å; F21-A23 VanDerWaalsContact C-N 3.34Å; F21-A23 PolarHBondContact O-N 3.19Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.38Å; A23-A26 PolarHBondContact O-N 3.03Å; A23-D27 PolarHBondContact O-N 3.46Å
24I69Low68.4Low81 Ų81111.9 Ų111.942%0.41555%0.545SS..Hα-helixtrans-62.3-41.8174.5-69.9165000111.1R20 F21 A26 D27 L30R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.31Å; R20-I24 PolarHBondContact O-N 3.25Å; F21-I24 PolarHBondContact O-N 3.37Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-D27 PolarHBondContact O-N 3.09Å; I24-L30 HydrophobicContact CG2-CD2 3.5Å
25L65Low67.3Low88 Ų88109.5 Ų109.546%0.46154%0.538SS..Hα-helixtrans-71.9-24.8177-69.6174.5000113.5F21 R22 A23 D27 V31F21-L25 HydrophobicContact CD1-CD1 3.79Å; F21-L25 HydrophobicContact CD1-CG 4.39Å; F21-L25 HydrophobicContact CE1-CD1 3.62Å; F21-L25 HydrophobicContact CE1-CG 4.25Å; F21-L25 WeakPolarHBondContact O-CG 3.46Å; F21-L25 PolarHBondContact O-N 3.05Å; R22-L25 PolarHBondContact O-N 3.4Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.38Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-V31 WeakPolarHBondContact O-CG2 3.39Å
26A72.1Confident66Low76 Ų76108.5 Ų108.563%0.62854%0.536SS*.Hα-helixtrans-78.6-19.417600000112.8R22 A23 I24 K28R22-A26 WeakPolarHBondContact O-CB 3.42Å; R22-A26 PolarHBondContact O-N 3.18Å; A23-A26 PolarHBondContact O-N 3.03Å; I24-A26 VanDerWaalsContact C-N 3.34Å; A26-K28 PolarHBondContact O-N 3.43Å; A26-K28 VanDerWaalsContact O-N 3.09Å
27D76.6Confident64.6Low72 Ų72113.5 Ų113.539%0.38555%0.548SS..  trans-73.4101.5174.8-170.3-18.8000110.4A23 I24 L25 R29 L30 V31A23-D27 PolarHBondContact O-N 3.46Å; I24-D27 PolarHBondContact O-N 3.09Å; L25-D27 VanDerWaalsContact C-N 3.34Å; D27-R29 PolarHBondContact O-N 2.97Å; D27-R29 VanDerWaalsContact O-N 3.09Å; D27-R29 WeakPolarHBondContact OD1-CB 3.31Å; D27-R29 PolarHBondContact OD1-N 3.19Å; D27-L30 HydrophobicContact CB-CB 4.2Å; D27-L30 PolarHBondContact O-N 2.99Å; D27-V31 PolarHBondContact O-N 3.28Å
28K64.8Low63.2Low185 Ų185112.3 Ų112.380%0.80455%0.546SS*.Hα-helixtrans-53.5-28.7178.1-69.7-175.2177.8-178.80113.1A26 L32A26-K28 PolarHBondContact O-N 3.43Å; A26-K28 VanDerWaalsContact O-N 3.09Å; K28-L32 WeakPolarHBondContact O-CB 3.37Å; K28-L32 PolarHBondContact O-N 3.43Å; K28-L32 VanDerWaalsContact O-N 3.12Å
29R67Low62Low204 Ų204111.9 Ų111.977%0.7755%0.546SS*.Hα-helixtrans-70.9-36.6177.5-60.2-178.1-173.9-1772.8111.4D27 L33D27-R29 PolarHBondContact O-N 2.97Å; D27-R29 VanDerWaalsContact O-N 3.09Å; D27-R29 WeakPolarHBondContact OD1-CB 3.31Å; D27-R29 PolarHBondContact OD1-N 3.19Å; R29-L33 PolarHBondContact O-N 3.4Å
30L54.8Low60.4Low74 Ų74108.6 Ų108.639%0.38754%0.541SS..Hα-helixtrans-79.8-35.6-178.7-134.1119.6000112I24 D27 L32 L33 L34I24-L30 HydrophobicContact CG2-CD2 3.5Å; D27-L30 HydrophobicContact CB-CB 4.2Å; D27-L30 PolarHBondContact O-N 2.99Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.05Å; L30-L33 PolarHBondContact O-N 3.42Å; L30-L34 HydrophobicContact CD2-CD1 4.43Å; L30-L34 PolarHBondContact O-N 3.38Å
31V56.7Low59.2Low57 Ų57105.1 Ų105.135%0.34554%0.535SS..Hα-helixtrans-60.5-42.1169.4177.10000110.5L25 D27 L33 L34 T35L25-V31 WeakPolarHBondContact O-CG2 3.39Å; D27-V31 PolarHBondContact O-N 3.28Å; V31-L33 PolarHBondContact O-N 3.25Å; V31-L34 PolarHBondContact O-N 3.33Å; V31-T35 HydrophobicContact CG1-CG2 4.32Å; V31-T35 WeakPolarHBondContact O-CG2 3.32Å; V31-T35 PolarHBondContact O-N 3.31Å; V31-T35 PolarHBondContact O-OG1 3Å; V31-T35 VanDerWaalsContact O-OG1 3.05Å
32L56.9Low58Low115 Ų115103.5 Ų103.560%0.60253%0.531SS*.Hα-helixtrans-60.7-45.4177-166.571.6000111.7K28 L30 L34 T35 V36K28-L32 WeakPolarHBondContact O-CB 3.37Å; K28-L32 PolarHBondContact O-N 3.43Å; K28-L32 VanDerWaalsContact O-N 3.12Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.82Å; L32-T35 VanDerWaalsContact CA-OG1 3.24Å; L32-T35 WeakPolarHBondContact CA-OG1 3.37Å; L32-T35 PolarHBondContact O-N 2.96Å; L32-T35 PolarHBondContact O-OG1 2.94Å; L32-V36 VanDerWaalsContact O-CG2 3.31Å; L32-V36 WeakPolarHBondContact O-CG2 3.34Å; L32-V36 PolarHBondContact O-N 3.46Å
33L55Low56.6Low114 Ų11499.4 Ų99.460%0.59753%0.528SS*.Hα-helixtrans-59.9-39.9175-96.6148.6000113R29 L30 V31 R37R29-L33 PolarHBondContact O-N 3.4Å; L30-L33 PolarHBondContact O-N 3.42Å; V31-L33 PolarHBondContact O-N 3.25Å; L33-R37 PolarHBondContact O-N 2.79Å
34L54.5Low55Low95 Ų95105.3 Ų105.350%0.49754%0.542SS..Hα-helixtrans-69.3-41175-77.7161.9000111.7L30 V31 L32 R37 L38L30-L34 HydrophobicContact CD2-CD1 4.43Å; L30-L34 PolarHBondContact O-N 3.38Å; V31-L34 PolarHBondContact O-N 3.33Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.82Å; L34-R37 PolarHBondContact O-N 3Å; L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 PolarHBondContact O-N 3.18Å
35T53.5Low53.5Low64 Ų64106.1 Ų106.139%0.39356%0.555SS.*Hα-helixtrans-67-39.1176.748.90000112.3V31 L32 R37 L38 T39V31-T35 HydrophobicContact CG1-CG2 4.32Å; V31-T35 WeakPolarHBondContact O-CG2 3.32Å; V31-T35 PolarHBondContact O-N 3.31Å; V31-T35 PolarHBondContact O-OG1 3Å; V31-T35 VanDerWaalsContact O-OG1 3.05Å; L32-T35 VanDerWaalsContact CA-OG1 3.24Å; L32-T35 WeakPolarHBondContact CA-OG1 3.37Å; L32-T35 PolarHBondContact O-N 2.96Å; L32-T35 PolarHBondContact O-OG1 2.94Å; T35-R37 VanDerWaalsContact C-N 3.31Å; T35-R37 PolarHBondContact O-N 3.4Å; T35-L38 CarbonylContact O-C 3.55Å; T35-L38 PolarHBondContact O-N 3.13Å; T35-L38 VanDerWaalsContact O-N 3.13Å; T35-T39 PolarHBondContact O-N 3.44Å; T35-T39 PolarHBondContact O-OG1 3.19Å
36V52.4Low51.8Low78 Ų78109.9 Ų109.947%0.47357%0.568SS.*Hα-helixtrans-62.6-40.8175171.80000110.5L32 T39 C40L32-V36 VanDerWaalsContact O-CG2 3.31Å; L32-V36 WeakPolarHBondContact O-CG2 3.34Å; L32-V36 PolarHBondContact O-N 3.46Å; V36-T39 WeakPolarHBondContact CA-OG1 3.48Å; V36-T39 PolarHBondContact O-OG1 3.12Å; V36-C40 WeakPolarHBondContact O-CB 3.25Å; V36-C40 PolarHBondContact O-N 3.04Å; V36-C40 PolarHBondContact O-SG 3.31Å
37R49.6Very low49.9Very low185 Ų185113.5 Ų113.570%0.69857%0.574SS**Hα-helixtrans-64.5-39.9172.8-77.7-172.7174.8-167.1-0.3112.3L33 L34 T35 C40 I41L33-R37 PolarHBondContact O-N 2.79Å; L34-R37 PolarHBondContact O-N 3Å; T35-R37 VanDerWaalsContact C-N 3.31Å; T35-R37 PolarHBondContact O-N 3.4Å; R37-C40 PolarHBondContact O-N 3.38Å; R37-I41 WeakPolarHBondContact O-CD1 3.47Å; R37-I41 VanDerWaalsContact O-CG1 3.27Å; R37-I41 WeakPolarHBondContact O-CG1 3.33Å; R37-I41 PolarHBondContact O-N 3.39Å
38L44.7Very low47.6Very low106 Ų106119.7 Ų119.756%0.55560%0.597SS**Hα-helixtrans-69.7-40.1179-149.376.2000111.9L34 T35 I41 I42L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 PolarHBondContact O-N 3.18Å; T35-L38 CarbonylContact O-C 3.55Å; T35-L38 PolarHBondContact O-N 3.13Å; T35-L38 VanDerWaalsContact O-N 3.13Å; L38-I41 PolarHBondContact O-N 2.9Å; L38-I42 HydrophobicContact CG-CD1 4.31Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.47Å; L38-I42 PolarHBondContact O-N 3.3Å
39T45.6Very low46.1Very low74 Ų74119 Ų11945%0.45460%0.597SS.*Hα-helixtrans-66.9-34.8173.244.90000111.9T35 V36 I41 I42 S43T35-T39 PolarHBondContact O-N 3.44Å; T35-T39 PolarHBondContact O-OG1 3.19Å; V36-T39 WeakPolarHBondContact CA-OG1 3.48Å; V36-T39 PolarHBondContact O-OG1 3.12Å; T39-I41 VanDerWaalsContact C-N 3.31Å; T39-I41 PolarHBondContact O-N 3.33Å; T39-I42 PolarHBondContact O-N 3.3Å; T39-S43 VanDerWaalsContact O-CB 3.25Å; T39-S43 WeakPolarHBondContact O-CB 3.27Å; T39-S43 PolarHBondContact O-N 3.45Å; T39-S43 PolarHBondContact O-OG 2.78Å
40C42.6Very low44.3Very low73 Ų73119 Ų11949%0.49360%0.602SS.*Hα-helixtrans-64.2-37.1171.6-74.50000111.8V36 R37 F44V36-C40 WeakPolarHBondContact O-CB 3.25Å; V36-C40 PolarHBondContact O-N 3.04Å; V36-C40 PolarHBondContact O-SG 3.31Å; R37-C40 PolarHBondContact O-N 3.38Å; C40-F44 WeakPolarHBondContact O-CB 3.37Å; C40-F44 WeakPolarHBondContact O-CD2 3.25Å; C40-F44 PolarHBondContact O-N 3Å; C40-F44 VanDerWaalsContact O-N 3.14Å
41I50Low43.3Very low115 Ų115122.3 Ų122.359%0.5962%0.62SS**Hα-helixtrans-68.1-40.1175.1-66.8163.1000111R37 L38 T39 S45R37-I41 WeakPolarHBondContact O-CD1 3.47Å; R37-I41 VanDerWaalsContact O-CG1 3.27Å; R37-I41 WeakPolarHBondContact O-CG1 3.33Å; R37-I41 PolarHBondContact O-N 3.39Å; L38-I41 PolarHBondContact O-N 2.9Å; T39-I41 VanDerWaalsContact C-N 3.31Å; T39-I41 PolarHBondContact O-N 3.33Å; I41-S45 PolarHBondContact O-N 2.83Å
42I42.6Very low42.1Very low89 Ų89128 Ų12846%0.45665%0.649SS.*Hα-helixtrans-73.5-41.2-179.8-64.6163.5000111.4L38 T39 F44 S45 F46L38-I42 HydrophobicContact CG-CD1 4.31Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.47Å; L38-I42 PolarHBondContact O-N 3.3Å; T39-I42 PolarHBondContact O-N 3.3Å; I42-F44 VanDerWaalsContact C-N 3.32Å; I42-F44 PolarHBondContact O-N 3.31Å; I42-S45 WeakPolarHBondContact O-CA 3.41Å; I42-S45 WeakPolarHBondContact O-CB 3.46Å; I42-S45 PolarHBondContact O-N 3.39Å; I42-F46 HydrophobicContact CG2-CD2 4.45Å; I42-F46 PolarHBondContact O-N 2.88Å
43S41.4Very low41Very low80 Ų80130.1 Ų130.156%0.55966%0.656SS**Hα-helixtrans-66.1-33.4177.1-64.30000112.3T39 S45 F46T39-S43 VanDerWaalsContact O-CB 3.25Å; T39-S43 WeakPolarHBondContact O-CB 3.27Å; T39-S43 PolarHBondContact O-N 3.45Å; T39-S43 PolarHBondContact O-OG 2.78Å; S43-S45 PolarHBondContact O-N 3.14Å; S43-F46 PolarHBondContact O-N 3.39Å
44F39.8Very low39.9Very low186 Ų186130.8 Ų130.882%0.81667%0.665SS**Hα-helixtrans-66-26170.4-102.5-90.9000112.9C40 I42C40-F44 WeakPolarHBondContact O-CB 3.37Å; C40-F44 WeakPolarHBondContact O-CD2 3.25Å; C40-F44 PolarHBondContact O-N 3Å; C40-F44 VanDerWaalsContact O-N 3.14Å; I42-F44 VanDerWaalsContact C-N 3.32Å; I42-F44 PolarHBondContact O-N 3.31Å
45S37.8Very low38.7Very low99 Ų99136 Ų13669%0.69268%0.684SS**Hα-helixtrans-79.7-18.8177.1-1290000113.5I41 I42 S43I41-S45 PolarHBondContact O-N 2.83Å; I42-S45 WeakPolarHBondContact O-CA 3.41Å; I42-S45 WeakPolarHBondContact O-CB 3.46Å; I42-S45 PolarHBondContact O-N 3.39Å; S43-S45 PolarHBondContact O-N 3.14Å
46F29.8Very low38Very low166 Ų166141 Ų14173%0.72870%0.703SS**Hα-helixtrans-103.40.5-174.5-97.2-86.1000115.8I42 S43 K48I42-F46 HydrophobicContact CG2-CD2 4.45Å; I42-F46 PolarHBondContact O-N 2.88Å; S43-F46 PolarHBondContact O-N 3.39Å; F46-K48 PolarHBondContact O-N 3.06Å
47M31.6Very low37.1Very low152 Ų152144.6 Ų144.675%0.74973%0.725SS**  trans-74.669.8164.6-82.3-17765.500110.8Q49M47-Q49 VanDerWaalsContact C-N 3.33Å; M47-Q49 PolarHBondContact O-N 3.05Å
48K29.6Very low37.4Very low202 Ų202138 Ų13888%0.87871%0.714SS**  trans-64.892.8157.3-96.1-178.8169176.40108F46F46-K48 PolarHBondContact O-N 3.06Å
49Q33.1Very low39.1Very low172 Ų172142.2 Ų142.280%0.80472%0.722SS**  trans-105124.5155.7-100.8-174.7-22.800109.3M47 N51M47-Q49 VanDerWaalsContact C-N 3.33Å; M47-Q49 PolarHBondContact O-N 3.05Å; Q49-N51 PolarHBondContact O-N 3.27Å
50K29.3Very low41.2Very low203 Ų203141.5 Ų141.588%0.88371%0.712SS**  trans-46.4118.3172.4-70.1170.4171176.90109.8
51N33.1Very low43.6Very low143 Ų143140.2 Ų140.277%0.76570%0.703SS**  trans-156.7138.8145.6-89.9-23.6000107.7Q49 E53Q49-N51 PolarHBondContact O-N 3.27Å; N51-E53 PolarHBondContact O-N 3.49Å
52N31.3Very low45.5Very low178 Ų178142.9 Ų142.995%0.95271%0.712SS**  trans-67.665.7-178.2-80-22.4000111.5
53E35Very low47.9Very low159 Ų159141.2 Ų141.274%0.74370%0.703SS**  trans-94.3118.9170.6-69.5-172.4-18000109.3N51 F55N51-E53 PolarHBondContact O-N 3.49Å; E53-F55 PolarHBondContact O-N 2.88Å
54T30.8Very low50.4Low128 Ų128143 Ų14379%0.78570%0.701SS**  trans-50.7122.3170.9410000109.8Q56T54-Q56 PolarHBondContact O-N 2.94Å
55F30.2Very low52.9Low203 Ų203142.9 Ų142.989%0.8970%0.696SS**  trans-64.1100.6173.8-81.1-97.7000109E53 V57E53-F55 PolarHBondContact O-N 2.88Å; F55-V57 PolarHBondContact O-N 3.04Å; F55-V57 VanDerWaalsContact O-N 3.13Å
56Q38Very low55.6Low171 Ų171140.5 Ų140.580%0.79967%0.672SS**  trans-63.1109.9167.4-79-104.1-36.300108.6T54 G58T54-Q56 PolarHBondContact O-N 2.94Å; Q56-G58 PolarHBondContact O-N 2.76Å
57V33.3Very low58.6Low153 Ų153134.7 Ų134.793%0.92765%0.651SS**SBendtrans-71.498172.9-177.50000107.8F55F55-V57 PolarHBondContact O-N 3.04Å; F55-V57 VanDerWaalsContact O-N 3.13Å
58G55.9Low61.5Low46 Ų46131.9 Ų131.947%0.47464%0.644SS.*  trans117.4107.6177.600000112.4Q56 Y60Q56-G58 PolarHBondContact O-N 2.76Å; G58-Y60 PolarHBondContact O-N 3.5Å; G58-Y60 VanDerWaalsContact O-N 3.16Å
59R80.8Confident64.6Low194 Ų194127.7 Ų127.773%0.73263%0.631SS**SBendtrans-63.7-17178.1-178.8173.5171.3174-1.3113.6L116R59-L116 PolarHBondContact NH2-O 3.49Å
60Y90.1Very high67.5Low59 Ų59125.3 Ų125.323%0.23162%0.618CS.*SBendtrans-128.8151.7-170.5-50.9-67.9000110.7G58 Q114 G117 H118G58-Y60 PolarHBondContact O-N 3.5Å; G58-Y60 VanDerWaalsContact O-N 3.16Å; Y60-Q114 WeakPolarHBondContact CD1-O 3.48Å; Y60-G117 WeakPolarHBondContact OH-CA 3.45Å; Y60-G117 PolarHBondContact OH-O 3.34Å; Y60-H118 HydrophobicContact CD1-CB 3.91Å; Y60-H118 HydrophobicContact CD2-CB 4.41Å; Y60-H118 AromaticContact CD2-CD2 3.52Å; Y60-H118 HydrophobicContact CE1-CB 3.83Å; Y60-H118 HydrophobicContact CE2-CB 4.3Å; Y60-H118 HydrophobicContact CG-CB 4.22Å; Y60-H118 AromaticContact CG-CD2 3.62Å; Y60-H118 PolarHBondContact OH-N 2.84Å
61P91.7Very high70.7Confident47 Ų47118 Ų11831%0.30559%0.585SS.*  trans-55.9152.9172.6-22.231.7000112.7M63 Q114 W115P61-M63 PolarHBondContact O-N 2.78Å; P61-Q114 HydrophobicContact CG-CB 4.33Å; P61-Q114 HydrophobicContact CG-CG 4.32Å; P61-W115 HydrophobicContact CB-CH2 3.72Å; P61-W115 HydrophobicContact CB-CZ2 4.31Å; P61-W115 HydrophobicContact CB-CZ3 4.21Å; P61-W115 HydrophobicContact CG-CH2 3.78Å; P61-W115 HydrophobicContact CG-CZ2 4.07Å; P61-W115 HydrophobicContact CG-CZ3 4.07Å
62H91.4Very high73.8Confident171 Ų171114.6 Ų114.679%0.79256%0.563SS**  trans-61.1135.6177.4-177.3-80.9000111.6
63M91.8Very high77Confident53 Ų53109.3 Ų109.326%0.26153%0.53SS..  trans-125.2150.6177.7-55.9163.3-73.200110.3P61 M92 W115 H118P61-M63 PolarHBondContact O-N 2.78Å; M63-M92 WeakPolarHBondContact CG-O 3.43Å; M63-M92 HydrophobicContact SD-CE 4.29Å; M63-W115 HydrophobicContact CG-CH2 4.17Å; M63-W115 HydrophobicContact CG-CZ3 4.02Å; M63-W115 HydrophobicContact SD-CZ3 3.97Å; M63-H118 WeakPolarHBondContact CE-NE2 3.39Å; M63-H118 PolarHBondContact SD-NE2 2.91Å; M63-H118 VanDerWaalsContact SD-NE2 3.43Å
64K93.5Very high80.1Confident117 Ų117102 Ų10251%0.50950%0.496SS..  trans-66.6133.1167.3-178.7180171-171.80109.7R66 K93 D94 G95K64-R66 PolarHBondContact O-N 3.28Å; K64-K93 WeakPolarHBondContact CB-O 3.22Å; K64-K93 PolarHBondContact N-O 3.28Å; K64-D94 IonicContact NZ-OD1 3.43Å; K64-D94 PolarHBondContact NZ-OD1 3.11Å; K64-G95 WeakPolarHBondContact O-CA 3.47Å
65Y92.4Very high83.3Confident184 Ų18495.9 Ų95.972%0.72246%0.458SS*.  trans-66.6128169.4177.5-102000109.9P67Y65-P67 HydrophobicContact CE1-CB 4.27Å
66R94.3Very high86.6Confident50 Ų5086.2 Ų86.219%0.18942%0.416CS..  trans-129.1121.2174.7-175.4174.5-83.3-92.57.2108.3K64 K70 R71 D94 H96K64-R66 PolarHBondContact O-N 3.28Å; R66-K70 WeakPolarHBondContact CD-O 3.3Å; R66-K70 HydrophobicContact CG-CB 4.01Å; R66-K70 PolarHBondContact NH1-O 3.05Å; R66-R71 HydrophobicContact CG-CB 4.47Å; R66-R71 PolarHBondContact O-NH2 2.85Å; R66-D94 IonicContact CZ-OD2 3.97Å; R66-D94 PolarHBondContact NE-O 3.26Å; R66-D94 IonicContact NE-OD2 3.35Å; R66-D94 IonicContact NH2-OD1 2.97Å; R66-D94 PolarHBondContact NH2-OD1 3.13Å; R66-D94 IonicContact NH2-OD2 3.32Å; R66-D94 PolarHBondContact NH2-OD2 2.91Å; R66-H96 VanDerWaalsContact CZ-NE2 3.33Å; R66-H96 PolarHBondContact NE-NE2 3.01Å
67P93.5Very high89.5Confident44 Ų4478 Ų7829%0.28638%0.378SS..  trans-65.9153.9-178.429.8-36000110.4Y65 D69 K70 R71Y65-P67 HydrophobicContact CE1-CB 4.27Å; P67-D69 VanDerWaalsContact C-N 3.27Å; P67-D69 WeakPolarHBondContact CB-OD1 3.44Å; P67-D69 PolarHBondContact O-N 3.43Å; P67-K70 HydrophobicContact CG-CB 4.03Å; P67-K70 HydrophobicContact CG-CG 3.87Å; P67-K70 PolarHBondContact O-N 3.24Å; P67-R71 PolarHBondContact O-N 3.2Å; P67-R71 VanDerWaalsContact O-N 3.11Å
68P92Very high92.6Very high92 Ų9271.3 Ų71.360%0.59734%0.34SS*.G310 helixtrans-53.7-37.6-173.2-29.136.1000114.8K70 R71P68-K70 VanDerWaalsContact C-N 3.31Å; P68-K70 PolarHBondContact O-N 2.89Å; P68-R71 WeakPolarHBondContact O-CB 3.36Å; P68-R71 PolarHBondContact O-N 3.08Å
69D94.2Very high94.6Very high114 Ų11469.1 Ų69.161%0.6132%0.317SS*.G310 helixtrans-69.7-24.7-179.968.3-63000113.8P67P67-D69 VanDerWaalsContact C-N 3.27Å; P67-D69 WeakPolarHBondContact CB-OD1 3.44Å; P67-D69 PolarHBondContact O-N 3.43Å
70K95.4Very high95.5Very high122 Ų12259.9 Ų59.953%0.5328%0.282SS..G310 helixtrans-97.3-6.2176.1-59.5-54.5-178.9-170.80112.9R66 P67 P68R66-K70 WeakPolarHBondContact CD-O 3.3Å; R66-K70 HydrophobicContact CG-CB 4.01Å; R66-K70 PolarHBondContact NH1-O 3.05Å; P67-K70 HydrophobicContact CG-CB 4.03Å; P67-K70 HydrophobicContact CG-CG 3.87Å; P67-K70 PolarHBondContact O-N 3.24Å; P68-K70 VanDerWaalsContact C-N 3.31Å; P68-K70 PolarHBondContact O-N 2.89Å
71R96.2Very high95.8Very high51 Ų5157.8 Ų57.819%0.19228%0.278CS..  trans-78.3135.3176.6-159.8179.5-61149.42.1109.5R66 P67 P68 G95 E97 N120R66-R71 HydrophobicContact CG-CB 4.47Å; R66-R71 PolarHBondContact O-NH2 2.85Å; P67-R71 PolarHBondContact O-N 3.2Å; P67-R71 VanDerWaalsContact O-N 3.11Å; P68-R71 WeakPolarHBondContact O-CB 3.36Å; P68-R71 PolarHBondContact O-N 3.08Å; R71-G95 WeakPolarHBondContact CG-O 3.23Å; R71-G95 PolarHBondContact NE-O 3.08Å; R71-E97 VanDerWaalsContact CD-OE1 3.24Å; R71-E97 WeakPolarHBondContact CD-OE1 3.2Å; R71-E97 HydrophobicContact CG-CB 4.44Å; R71-E97 HydrophobicContact CG-CG 4.47Å; R71-E97 IonicContact CZ-OE1 2.82Å; R71-E97 IonicContact NE-OE1 2.76Å; R71-E97 IonicContact NH1-OE1 2.94Å; R71-E97 PolarHBondContact NH1-OE1 2.93Å; R71-N120 PolarHBondContact NH1-OD1 3.4Å
72K98.4Very high96.1Very high70 Ų7056.9 Ų56.930%0.30427%0.27SS..  trans-106.9143.1171.2-59.9-55.5-167.71790109.1I74 H96 E97 D137K72-I74 HydrophobicContact CB-CD1 4.19Å; K72-I74 HydrophobicContact CB-CG1 3.87Å; K72-H96 WeakPolarHBondContact CB-ND1 3.39Å; K72-H96 PolarHBondContact N-ND1 2.78Å; K72-H96 PolarHBondContact O-ND1 3.44Å; K72-E97 PolarHBondContact O-N 3.23Å; K72-E97 VanDerWaalsContact O-O 3.12Å; K72-D137 WeakPolarHBondContact CA-OD2 3.43Å; K72-D137 HydrophobicContact CB-CB 4.06Å; K72-D137 HydrophobicContact CD-CB 3.85Å; K72-D137 HydrophobicContact CG-CB 4.41Å
73R98.6Very high96.4Very high68 Ų6850 Ų5026%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-90.5109.4167.6-171.9161.7-176.8-144.75.7109E97 I99 E122 E135 D137 R138R73-E97 CarbonylContact C-O 3.34Å; R73-E97 WeakPolarHBondContact CA-O 3.47Å; R73-E97 HydrophobicContact CB-CB 4.37Å; R73-E97 HydrophobicContact CG-CB 4.44Å; R73-I99 HydrophobicContact CG-CD1 4.02Å; R73-I99 HydrophobicContact CG-CG1 4.27Å; R73-E122 IonicContact NH2-OE2 3.14Å; R73-E122 PolarHBondContact NH2-OE2 3.18Å; R73-E135 WeakPolarHBondContact CD-O 3.39Å; R73-E135 PolarHBondContact NE-O 2.81Å; R73-E135 PolarHBondContact NH1-O 2.7Å; R73-D137 PolarHBondContact N-OD2 2.83Å; R73-D137 PolarHBondContact O-N 3.15Å; R73-R138 PolarHBondContact O-N 3.17Å
74I98.9Very high96.8Very high4 Ų447.6 Ų47.62%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-114121-167.2-51.6-176.5000109.6K72 V76 L91 H96 E97 V98 I99 R138 Y140K72-I74 HydrophobicContact CB-CD1 4.19Å; K72-I74 HydrophobicContact CB-CG1 3.87Å; I74-V76 HydrophobicContact CG2-CG2 4.42Å; I74-L91 HydrophobicContact CB-CD1 4.42Å; I74-L91 HydrophobicContact CD1-CD1 4.3Å; I74-L91 HydrophobicContact CD1-CD2 3.76Å; I74-L91 HydrophobicContact CD1-CG 4.46Å; I74-L91 HydrophobicContact CG2-CD1 3.78Å; I74-H96 HydrophobicContact CD1-CB 3.81Å; I74-H96 HydrophobicContact CG1-CB 4.37Å; I74-E97 PolarHBondContact N-O 3.13Å; I74-V98 CarbonylContact O-C 3.41Å; I74-V98 WeakPolarHBondContact O-CA 3.33Å; I74-I99 PolarHBondContact O-N 2.78Å; I74-R138 WeakPolarHBondContact CA-O 3.14Å; I74-R138 HydrophobicContact CB-CB 4.32Å; I74-R138 HydrophobicContact CG1-CB 4.01Å; I74-R138 HydrophobicContact CG1-CG 4.37Å; I74-R138 HydrophobicContact CG2-CB 3.94Å; I74-Y140 HydrophobicContact CG2-CD2 3.57Å; I74-Y140 HydrophobicContact CG2-CE2 3.77Å
75L98.9Very high97Very high0 Ų042 Ų420%020%0.204CC..EExtended strand (participates in β ladder)trans-89129.8172.2173.565.6000110.5T77 I99 L101 L134 V136 R138 I139 Y140 L172L75-T77 HydrophobicContact CD1-CG2 4.48Å; L75-T77 HydrophobicContact CD2-CG2 4.09Å; L75-T77 HydrophobicContact CG-CG2 4.08Å; L75-I99 WeakPolarHBondContact CA-O 3.45Å; L75-I99 HydrophobicContact CD1-CB 4.07Å; L75-I99 HydrophobicContact CD1-CG2 4Å; L75-L101 HydrophobicContact CD1-CB 3.75Å; L75-L101 HydrophobicContact CD1-CD1 4.31Å; L75-L134 HydrophobicContact CD1-CD1 4.13Å; L75-L134 HydrophobicContact CD2-CD1 4.39Å; L75-V136 HydrophobicContact CB-CG1 3.87Å; L75-R138 PolarHBondContact N-O 3.3Å; L75-I139 HydrophobicContact CB-CG1 4.31Å; L75-I139 HydrophobicContact CB-CG2 4.33Å; L75-I139 HydrophobicContact CD2-CG1 4.4Å; L75-I139 HydrophobicContact CD2-CG2 4.01Å; L75-I139 HydrophobicContact CG-CG2 4.24Å; L75-I139 CarbonylContact O-C 3.59Å; L75-I139 WeakPolarHBondContact O-CA 3.27Å; L75-Y140 PolarHBondContact O-N 3.45Å; L75-L172 HydrophobicContact CD2-CD2 3.69Å
76V98.9Very high97.3Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-118.7102.2170.7-171.80000108.6I74 G79 L87 I88 L91 V98 I99 L101 Y140 L142I74-V76 HydrophobicContact CG2-CG2 4.42Å; V76-G79 PolarHBondContact O-N 3.36Å; V76-L87 HydrophobicContact CG1-CD2 4.22Å; V76-L87 HydrophobicContact CG2-CD2 4.44Å; V76-I88 HydrophobicContact CB-CD1 4.29Å; V76-I88 HydrophobicContact CB-CG1 4.11Å; V76-I88 HydrophobicContact CG1-CG1 4.3Å; V76-I88 HydrophobicContact CG2-CG1 3.99Å; V76-L91 HydrophobicContact CG2-CD1 3.88Å; V76-V98 HydrophobicContact CG2-CG1 4.23Å; V76-I99 PolarHBondContact N-O 2.99Å; V76-L101 PolarHBondContact O-N 3.09Å; V76-Y140 WeakPolarHBondContact CA-O 3.32Å; V76-L142 HydrophobicContact CG1-CD2 4.48Å
77T98.9Very high97.5Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-79.5138.117474.10000109.4L75 L101 I128 Y140 H141 L142 A143 V169L75-T77 HydrophobicContact CD1-CG2 4.48Å; L75-T77 HydrophobicContact CD2-CG2 4.09Å; L75-T77 HydrophobicContact CG-CG2 4.08Å; T77-L101 CarbonylContact C-O 3.58Å; T77-L101 WeakPolarHBondContact CA-O 3.5Å; T77-L101 HydrophobicContact CG2-CD2 4.37Å; T77-I128 HydrophobicContact CG2-CD1 3.78Å; T77-I128 HydrophobicContact CG2-CG1 4.35Å; T77-Y140 PolarHBondContact N-O 3.08Å; T77-H141 VanDerWaalsContact OG1-CA 3.29Å; T77-H141 WeakPolarHBondContact OG1-CA 3.39Å; T77-H141 PolarHBondContact OG1-ND1 3.33Å; T77-L142 CarbonylContact O-C 3.55Å; T77-L142 VanDerWaalsContact O-C 3.27Å; T77-L142 VanDerWaalsContact O-CA 3.27Å; T77-L142 WeakPolarHBondContact O-CA 3.31Å; T77-L142 VanDerWaalsContact O-CB 3.22Å; T77-L142 WeakPolarHBondContact O-CB 3.29Å; T77-L142 PolarHBondContact O-N 3.34Å; T77-L142 PolarHBondContact OG1-N 2.91Å; T77-L142 VanDerWaalsContact OG1-N 3.13Å; T77-A143 PolarHBondContact O-N 3.38Å; T77-A143 VanDerWaalsContact O-N 3.09Å; T77-A143 WeakPolarHBondContact OG1-CB 3.46Å; T77-A143 PolarHBondContact OG1-N 2.69Å; T77-A143 VanDerWaalsContact OG1-N 3.15Å; T77-V169 HydrophobicContact CG2-CG2 4.2Å
78G98.6Very high97.8Very high12 Ų1230.5 Ų30.512%0.12416%0.155CC..THydrogen-bonded Turntrans71.123.1-167.500000112.1S80 G81 L101 D102G78-S80 PolarHBondContact O-N 3.22Å; G78-G81 PolarHBondContact O-N 3.4Å; G78-L101 PolarHBondContact N-O 3.15Å; G78-D102 WeakPolarHBondContact CA-OD2 3.4Å
79G98.6Very high98.1Very high0 Ų026.9 Ų26.90%013%0.131CC..THydrogen-bonded Turntrans-64.8-22.8-17200000114.3V76 G81 G84 S85 I88 C100 L101V76-G79 PolarHBondContact O-N 3.36Å; G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G84 CarbonylContact O-C 3.6Å; G79-S85 VanDerWaalsContact O-CA 3.3Å; G79-S85 WeakPolarHBondContact O-CA 3.48Å; G79-S85 PolarHBondContact O-N 2.62Å; G79-I88 WeakPolarHBondContact O-CD1 3.27Å; G79-C100 VanDerWaalsContact C-SG 3.59Å; G79-L101 PolarHBondContact N-O 3.1Å
80S98.3Very high98.3Very high0 Ų025.7 Ų25.70%012%0.118CC..THydrogen-bonded Turntrans-88.60.7175.7-58.90000113G78 C100 D102 Y104 G107 K108 N111 I112G78-S80 PolarHBondContact O-N 3.22Å; S80-C100 PolarHBondContact OG-SG 3.49Å; S80-C100 VanDerWaalsContact OG-SG 3.41Å; S80-D102 WeakPolarHBondContact CA-OD2 3.42Å; S80-D102 WeakPolarHBondContact CB-OD2 3.29Å; S80-D102 PolarHBondContact N-OD2 3.15Å; S80-Y104 WeakPolarHBondContact OG-CE1 3.45Å; S80-G107 WeakPolarHBondContact O-CA 3.39Å; S80-K108 PolarHBondContact O-N 2.82Å; S80-N111 PolarHBondContact O-ND2 2.72Å; S80-I112 WeakPolarHBondContact OG-CG1 3.4Å
81G97.8Very high98.5Very high14 Ų1420.1 Ų20.114%0.1449%0.094CC..SBendtrans-74179.4172.500000113.2G78 G79 S85G78-G81 PolarHBondContact O-N 3.4Å; G79-G81 VanDerWaalsContact C-N 3.31Å; G81-S85 WeakPolarHBondContact O-CB 3.44Å; G81-S85 PolarHBondContact O-N 3.34Å; G81-S85 PolarHBondContact O-OG 2.87Å
82F97.6Very high98.6Very high28 Ų2817.8 Ų17.812%0.1239%0.086CC..Hα-helixtrans-55.7-66.8178.6168.4-138.1000111.4G84 S85 H86 T244 F245 P247 R248 M249 I285F82-G84 PolarHBondContact O-N 3Å; F82-S85 PolarHBondContact O-N 2.81Å; F82-S85 PolarHBondContact O-OG 2.87Å; F82-H86 AromaticContact CD2-CD2 3.93Å; F82-H86 AromaticContact CE2-CD2 3.91Å; F82-H86 AromaticContact CE2-NE2 3.89Å; F82-H86 PolarHBondContact O-CD2 3.02Å; F82-H86 VanDerWaalsContact O-CD2 3.3Å; F82-T244 HydrophobicContact CE1-CG2 4.23Å; F82-T244 HydrophobicContact CZ-CG2 4.37Å; F82-F245 VanDerWaalsContact CZ-C 3.48Å; F82-P247 VanDerWaalsContact CD2-O 3.27Å; F82-P247 WeakPolarHBondContact CD2-O 3.19Å; F82-P247 WeakPolarHBondContact CE2-O 3.45Å; F82-R248 HydrophobicContact CD2-CB 4.35Å; F82-M249 HydrophobicContact CD1-CB 4.04Å; F82-M249 HydrophobicContact CD2-CB 4.05Å; F82-M249 HydrophobicContact CE1-CB 4.16Å; F82-M249 HydrophobicContact CE2-CB 4.19Å; F82-M249 HydrophobicContact CG-CB 3.98Å; F82-M249 HydrophobicContact CZ-CB 4.24Å; F82-I285 HydrophobicContact CE1-CD1 4.24Å; F82-I285 HydrophobicContact CE2-CB 3.92Å; F82-I285 HydrophobicContact CE2-CD1 3.98Å; F82-I285 HydrophobicContact CE2-CG1 3.68Å; F82-I285 HydrophobicContact CE2-CG2 4.37Å; F82-I285 HydrophobicContact CZ-CB 3.74Å; F82-I285 HydrophobicContact CZ-CD1 3.79Å; F82-I285 HydrophobicContact CZ-CG1 3.8Å
83V98.6Very high98.6Very high28 Ų2819.4 Ų19.417%0.179%0.093CC..Hα-helixtrans-63.8-44.1-178.8-177.40000111.9S85 H86 L87 L142 I285 L288 L292V83-S85 VanDerWaalsContact C-N 3.3Å; V83-S85 PolarHBondContact O-N 3.09Å; V83-H86 PolarHBondContact O-N 3.26Å; V83-L87 PolarHBondContact O-N 3.16Å; V83-L142 HydrophobicContact CB-CD2 4.12Å; V83-L142 HydrophobicContact CG1-CD2 3.76Å; V83-I285 HydrophobicContact CB-CD1 4.32Å; V83-I285 HydrophobicContact CG1-CD1 4.32Å; V83-I285 HydrophobicContact CG2-CD1 4.01Å; V83-L288 HydrophobicContact CB-CD2 4.35Å; V83-L288 HydrophobicContact CG1-CD2 3.62Å; V83-L288 HydrophobicContact CG1-CG 4.35Å; V83-L288 HydrophobicContact CG2-CD2 3.71Å; V83-L292 HydrophobicContact CG1-CD1 3.83Å
84G98.6Very high98.5Very high2 Ų217.9 Ų17.92%0.0219%0.089CC..Hα-helixtrans-57.3-40.9-178.200000113.1G79 F82 L87 I88G79-G84 CarbonylContact O-C 3.6Å; F82-G84 PolarHBondContact O-N 3Å; G84-L87 PolarHBondContact O-N 3.49Å; G84-I88 VanDerWaalsContact O-CG1 3.29Å; G84-I88 WeakPolarHBondContact O-CG1 3.49Å; G84-I88 PolarHBondContact O-N 3.08Å
85S98.6Very high98.4Very high0 Ų017.9 Ų17.90%09%0.09CC..Hα-helixtrans-71.4-36.6-177.465.20000113.6G79 G81 F82 V83 I88 D89 R248G79-S85 VanDerWaalsContact O-CA 3.3Å; G79-S85 WeakPolarHBondContact O-CA 3.48Å; G79-S85 PolarHBondContact O-N 2.62Å; G81-S85 WeakPolarHBondContact O-CB 3.44Å; G81-S85 PolarHBondContact O-N 3.34Å; G81-S85 PolarHBondContact O-OG 2.87Å; F82-S85 PolarHBondContact O-N 2.81Å; F82-S85 PolarHBondContact O-OG 2.87Å; V83-S85 VanDerWaalsContact C-N 3.3Å; V83-S85 PolarHBondContact O-N 3.09Å; S85-I88 PolarHBondContact O-N 3.32Å; S85-D89 PolarHBondContact O-N 3.3Å; S85-R248 PolarHBondContact O-NH1 3.5Å; S85-R248 VanDerWaalsContact OG-CD 3.25Å; S85-R248 WeakPolarHBondContact OG-CD 3.43Å; S85-R248 PolarHBondContact OG-NH1 3.41Å
86H98.8Very high98.4Very high35 Ų3518.6 Ų18.616%0.1629%0.094CC..Hα-helixtrans-68.4-39173.3-76.5-82.5000111.6F82 V83 D89 Y90 P247 I285 V289F82-H86 AromaticContact CD2-CD2 3.93Å; F82-H86 AromaticContact CE2-CD2 3.91Å; F82-H86 AromaticContact CE2-NE2 3.89Å; F82-H86 PolarHBondContact O-CD2 3.02Å; F82-H86 VanDerWaalsContact O-CD2 3.3Å; V83-H86 PolarHBondContact O-N 3.26Å; H86-D89 WeakPolarHBondContact O-CB 3.48Å; H86-D89 PolarHBondContact O-N 3.06Å; H86-Y90 PolarHBondContact O-N 2.99Å; H86-Y90 VanDerWaalsContact O-N 3.07Å; H86-P247 PolarHBondContact NE2-O 3.27Å; H86-I285 HydrophobicContact CB-CD1 4.41Å; H86-I285 HydrophobicContact CB-CG1 3.86Å; H86-I285 VanDerWaalsContact CD2-CG1 3.45Å; H86-I285 WeakPolarHBondContact CD2-CG1 3.44Å; H86-V289 HydrophobicContact CB-CG2 3.84Å
87L98.9Very high98.4Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-62.6-43.4173178.863.1000111.3V76 V83 G84 D89 Y90 L91 Y140 L142 V289 V293V76-L87 HydrophobicContact CG1-CD2 4.22Å; V76-L87 HydrophobicContact CG2-CD2 4.44Å; V83-L87 PolarHBondContact O-N 3.16Å; G84-L87 PolarHBondContact O-N 3.49Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-D89 PolarHBondContact O-N 3.31Å; L87-Y90 WeakPolarHBondContact O-CB 3.43Å; L87-Y90 PolarHBondContact O-N 2.67Å; L87-L91 HydrophobicContact CD1-CD1 4.17Å; L87-L91 HydrophobicContact CD1-CG 4.14Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.32Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.38Å; L87-L91 PolarHBondContact O-N 3.21Å; L87-Y140 HydrophobicContact CD1-CE1 4.25Å; L87-Y140 HydrophobicContact CD2-CD1 3.57Å; L87-Y140 HydrophobicContact CD2-CD2 4.05Å; L87-Y140 HydrophobicContact CD2-CE1 4.06Å; L87-Y140 HydrophobicContact CD2-CG 3.55Å; L87-L142 HydrophobicContact CD2-CD1 4.39Å; L87-L142 HydrophobicContact CD2-CD2 4.15Å; L87-V289 HydrophobicContact CD1-CG1 4.18Å; L87-V293 HydrophobicContact CD1-CG2 3.93Å
88I98.9Very high98.3Very high0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-59.6-45175-74.3175.1000110.9V76 G79 G84 S85 Y90 L91 M92 V98 C100 I112 F121V76-I88 HydrophobicContact CB-CD1 4.29Å; V76-I88 HydrophobicContact CB-CG1 4.11Å; V76-I88 HydrophobicContact CG1-CG1 4.3Å; V76-I88 HydrophobicContact CG2-CG1 3.99Å; G79-I88 WeakPolarHBondContact O-CD1 3.27Å; G84-I88 VanDerWaalsContact O-CG1 3.29Å; G84-I88 WeakPolarHBondContact O-CG1 3.49Å; G84-I88 PolarHBondContact O-N 3.08Å; S85-I88 PolarHBondContact O-N 3.32Å; I88-Y90 VanDerWaalsContact C-N 3.27Å; I88-Y90 PolarHBondContact O-N 2.96Å; I88-L91 PolarHBondContact O-N 3.13Å; I88-M92 HydrophobicContact CG2-CG 3.97Å; I88-M92 VanDerWaalsContact O-CB 3.29Å; I88-M92 WeakPolarHBondContact O-CB 2.94Å; I88-M92 VanDerWaalsContact O-CG 3.23Å; I88-M92 WeakPolarHBondContact O-CG 3.39Å; I88-M92 PolarHBondContact O-N 2.92Å; I88-V98 HydrophobicContact CB-CG1 4.49Å; I88-V98 HydrophobicContact CD1-CG1 4.46Å; I88-V98 HydrophobicContact CG1-CG1 3.87Å; I88-V98 HydrophobicContact CG2-CG1 4.26Å; I88-C100 HydrophobicContact CD1-CB 3.67Å; I88-I112 HydrophobicContact CD1-CG2 4.01Å; I88-I112 HydrophobicContact CG2-CG2 4.44Å; I88-F121 HydrophobicContact CD1-CE2 4.26Å; I88-F121 HydrophobicContact CG2-CD2 4.29Å; I88-F121 HydrophobicContact CG2-CE2 3.63Å; I88-F121 HydrophobicContact CG2-CZ 4.49Å
89D98.6Very high98.4Very high17 Ų1721.3 Ų21.39%0.09110%0.104CC..Hα-helixtrans-56.2-44.7176.3-76-12.7000111.7S85 H86 L87 K93 Q114 W115 R248S85-D89 PolarHBondContact O-N 3.3Å; H86-D89 WeakPolarHBondContact O-CB 3.48Å; H86-D89 PolarHBondContact O-N 3.06Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-D89 PolarHBondContact O-N 3.31Å; D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.42Å; D89-K93 WeakPolarHBondContact O-CD 3.5Å; D89-K93 WeakPolarHBondContact O-CG 3.24Å; D89-K93 PolarHBondContact O-N 3.16Å; D89-Q114 PolarHBondContact OD1-NE2 3.13Å; D89-W115 PolarHBondContact OD1-NE1 3.26Å; D89-R248 IonicContact OD1-NH1 3.54Å; D89-R248 IonicContact OD1-NH2 3.14Å; D89-R248 IonicContact OD2-CZ 2.69Å; D89-R248 IonicContact OD2-NH1 3.47Å; D89-R248 PolarHBondContact OD2-NH1 3.22Å; D89-R248 IonicContact OD2-NH2 3.59Å; D89-R248 PolarHBondContact OD2-NH2 2.71Å
90Y98.6Very high98.4Very high89 Ų8921.3 Ų21.335%0.34910%0.104SC..Hα-helixtrans-60.3-52.4176.7-177.8-77000111.3H86 L87 I88 M92 K93 D94 V289 V293H86-Y90 PolarHBondContact O-N 2.99Å; H86-Y90 VanDerWaalsContact O-N 3.07Å; L87-Y90 WeakPolarHBondContact O-CB 3.43Å; L87-Y90 PolarHBondContact O-N 2.67Å; I88-Y90 VanDerWaalsContact C-N 3.27Å; I88-Y90 PolarHBondContact O-N 2.96Å; Y90-M92 PolarHBondContact O-N 3.02Å; Y90-K93 PolarHBondContact O-N 3.37Å; Y90-D94 PolarHBondContact O-N 3.43Å; Y90-V289 HydrophobicContact CD2-CG1 3.92Å; Y90-V289 HydrophobicContact CG-CG1 3.88Å; Y90-V293 HydrophobicContact CD1-CG2 3.72Å; Y90-V293 HydrophobicContact CE1-CB 4.21Å; Y90-V293 HydrophobicContact CE1-CG1 3.75Å; Y90-V293 HydrophobicContact CE1-CG2 3.62Å; Y90-V293 HydrophobicContact CG-CG2 4.34Å
91L98.7Very high98.4Very high5 Ų521.4 Ų21.43%0.02610%0.104CC..Hα-helixtrans-64.8-40.3-175.6-65172.9000112.2I74 V76 L87 I88 D94 G95 H96 V98 Y140I74-L91 HydrophobicContact CB-CD1 4.42Å; I74-L91 HydrophobicContact CD1-CD1 4.3Å; I74-L91 HydrophobicContact CD1-CD2 3.76Å; I74-L91 HydrophobicContact CD1-CG 4.46Å; I74-L91 HydrophobicContact CG2-CD1 3.78Å; V76-L91 HydrophobicContact CG2-CD1 3.88Å; L87-L91 HydrophobicContact CD1-CD1 4.17Å; L87-L91 HydrophobicContact CD1-CG 4.14Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.32Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.38Å; L87-L91 PolarHBondContact O-N 3.21Å; I88-L91 PolarHBondContact O-N 3.13Å; L91-D94 PolarHBondContact O-N 3.14Å; L91-G95 PolarHBondContact O-N 3.02Å; L91-H96 WeakPolarHBondContact O-CB 3.43Å; L91-H96 PolarHBondContact O-N 3.44Å; L91-H96 VanDerWaalsContact O-N 3.14Å; L91-V98 HydrophobicContact CB-CG2 3.7Å; L91-Y140 HydrophobicContact CD1-CD2 4.22Å; L91-Y140 HydrophobicContact CD1-CE2 4.03Å; L91-Y140 HydrophobicContact CD2-CE2 4.23Å
92M98.3Very high98.4Very high1 Ų121.1 Ų21.11%0.00510%0.099CC..Hα-helixtrans-63.8-46.9174.9-72.7-61.5-63.100111M63 I88 Y90 D94 G95 V98 W115 H118 N120 F121M63-M92 WeakPolarHBondContact CG-O 3.43Å; M63-M92 HydrophobicContact SD-CE 4.29Å; I88-M92 HydrophobicContact CG2-CG 3.97Å; I88-M92 VanDerWaalsContact O-CB 3.29Å; I88-M92 WeakPolarHBondContact O-CB 2.94Å; I88-M92 VanDerWaalsContact O-CG 3.23Å; I88-M92 WeakPolarHBondContact O-CG 3.39Å; I88-M92 PolarHBondContact O-N 2.92Å; Y90-M92 PolarHBondContact O-N 3.02Å; M92-D94 VanDerWaalsContact C-N 3.26Å; M92-D94 PolarHBondContact O-N 3.37Å; M92-G95 WeakPolarHBondContact O-CA 3.38Å; M92-G95 PolarHBondContact O-N 3.17Å; M92-V98 HydrophobicContact CG-CB 4.32Å; M92-V98 HydrophobicContact CG-CG2 4.02Å; M92-V98 HydrophobicContact SD-CB 3.69Å; M92-V98 HydrophobicContact SD-CG2 3.6Å; M92-V98 VanDerWaalsContact SD-CG2 3.6Å; M92-W115 HydrophobicContact CB-CD2 3.89Å; M92-W115 HydrophobicContact CB-CE3 4Å; M92-W115 HydrophobicContact CB-CH2 3.62Å; M92-W115 HydrophobicContact CB-CZ2 3.51Å; M92-W115 HydrophobicContact CB-CZ3 3.87Å; M92-W115 HydrophobicContact CE-CD2 4.01Å; M92-W115 HydrophobicContact CE-CE3 3.57Å; M92-W115 HydrophobicContact CE-CG 4.46Å; M92-W115 HydrophobicContact CE-CZ3 4.06Å; M92-W115 HydrophobicContact CG-CD2 3.79Å; M92-W115 HydrophobicContact CG-CE3 4.16Å; M92-W115 HydrophobicContact CG-CG 4.09Å; M92-W115 HydrophobicContact CG-CZ2 4.25Å; M92-H118 HydrophobicContact CE-CB 4.25Å; M92-H118 WeakPolarHBondContact CE-ND1 3.37Å; M92-N120 HydrophobicContact CE-CB 4.48Å; M92-F121 HydrophobicContact CE-CB 3.8Å; M92-F121 HydrophobicContact CE-CD2 4.49Å; M92-F121 HydrophobicContact CG-CD2 4.36Å; M92-F121 HydrophobicContact SD-CB 4.08Å; M92-F121 HydrophobicContact SD-CD2 3.89Å; M92-F121 HydrophobicContact SD-CG 4.46Å
93K98Very high98.4Very high105 Ų10522.4 Ų22.446%0.45711%0.107SC..Hα-helixtrans-64.2-29.2177.2-73.5172-178.8175.70112.9K64 D89 Y90 G95 W115K64-K93 WeakPolarHBondContact CB-O 3.22Å; K64-K93 PolarHBondContact N-O 3.28Å; D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.42Å; D89-K93 WeakPolarHBondContact O-CD 3.5Å; D89-K93 WeakPolarHBondContact O-CG 3.24Å; D89-K93 PolarHBondContact O-N 3.16Å; Y90-K93 PolarHBondContact O-N 3.37Å; K93-G95 PolarHBondContact O-N 3.28Å; K93-W115 HydrophobicContact CG-CH2 4.14Å; K93-W115 HydrophobicContact CG-CZ2 4.3Å
94D97.5Very high98.4Very high35 Ų3523.6 Ų23.619%0.18711%0.109CC..THydrogen-bonded Turntrans-824.9173-165.647.5000113.5K64 R66 Y90 L91 M92 H96K64-D94 IonicContact NZ-OD1 3.43Å; K64-D94 PolarHBondContact NZ-OD1 3.11Å; R66-D94 IonicContact CZ-OD2 3.97Å; R66-D94 PolarHBondContact NE-O 3.26Å; R66-D94 IonicContact NE-OD2 3.35Å; R66-D94 IonicContact NH2-OD1 2.97Å; R66-D94 PolarHBondContact NH2-OD1 3.13Å; R66-D94 IonicContact NH2-OD2 3.32Å; R66-D94 PolarHBondContact NH2-OD2 2.91Å; Y90-D94 PolarHBondContact O-N 3.43Å; L91-D94 PolarHBondContact O-N 3.14Å; M92-D94 VanDerWaalsContact C-N 3.26Å; M92-D94 PolarHBondContact O-N 3.37Å; D94-H96 IonicContact OD2-CD2 3.58Å; D94-H96 IonicContact OD2-NE2 2.93Å; D94-H96 PolarHBondContact OD2-NE2 3.4Å
95G97.1Very high98.3Very high4 Ų428.1 Ų28.14%0.04113%0.128CC..THydrogen-bonded Turntrans84.917.3168.100000115.1K64 R71 L91 M92 K93K64-G95 WeakPolarHBondContact O-CA 3.47Å; R71-G95 WeakPolarHBondContact CG-O 3.23Å; R71-G95 PolarHBondContact NE-O 3.08Å; L91-G95 PolarHBondContact O-N 3.02Å; M92-G95 WeakPolarHBondContact O-CA 3.38Å; M92-G95 PolarHBondContact O-N 3.17Å; K93-G95 PolarHBondContact O-N 3.28Å
96H98.3Very high98.1Very high16 Ų1630.7 Ų30.77%0.07414%0.144CC..  trans-78.3165.3177.6-73.8-79.9000113.4R66 K72 I74 L91 D94 V98R66-H96 VanDerWaalsContact CZ-NE2 3.33Å; R66-H96 PolarHBondContact NE-NE2 3.01Å; K72-H96 WeakPolarHBondContact CB-ND1 3.39Å; K72-H96 PolarHBondContact N-ND1 2.78Å; K72-H96 PolarHBondContact O-ND1 3.44Å; I74-H96 HydrophobicContact CD1-CB 3.81Å; I74-H96 HydrophobicContact CG1-CB 4.37Å; L91-H96 WeakPolarHBondContact O-CB 3.43Å; L91-H96 PolarHBondContact O-N 3.44Å; L91-H96 VanDerWaalsContact O-N 3.14Å; D94-H96 IonicContact OD2-CD2 3.58Å; D94-H96 IonicContact OD2-NE2 2.93Å; D94-H96 PolarHBondContact OD2-NE2 3.4Å; H96-V98 HydrophobicContact CB-CG2 4.37Å
97E98.3Very high97.9Very high65 Ų6529.1 Ų29.130%0.30414%0.137SC..EExtended strand (participates in β ladder)trans-89.6127.1163.6-94.1161.6-135.500108.4R71 K72 R73 I74 N120R71-E97 VanDerWaalsContact CD-OE1 3.24Å; R71-E97 WeakPolarHBondContact CD-OE1 3.2Å; R71-E97 HydrophobicContact CG-CB 4.44Å; R71-E97 HydrophobicContact CG-CG 4.47Å; R71-E97 IonicContact CZ-OE1 2.82Å; R71-E97 IonicContact NE-OE1 2.76Å; R71-E97 IonicContact NH1-OE1 2.94Å; R71-E97 PolarHBondContact NH1-OE1 2.93Å; K72-E97 PolarHBondContact O-N 3.23Å; K72-E97 VanDerWaalsContact O-O 3.12Å; R73-E97 CarbonylContact C-O 3.34Å; R73-E97 WeakPolarHBondContact CA-O 3.47Å; R73-E97 HydrophobicContact CB-CB 4.37Å; R73-E97 HydrophobicContact CG-CB 4.44Å; I74-E97 PolarHBondContact N-O 3.13Å; E97-N120 CarbonylContact C-O 3.6Å; E97-N120 WeakPolarHBondContact CA-O 3.4Å; E97-N120 HydrophobicContact CG-CB 3.86Å
98V98.8Very high97.7Very high2 Ų235.1 Ų35.11%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-126.1124.9-171.6-176.70000110.3I74 V76 I88 L91 M92 H96 N120 F121 E122I74-V98 CarbonylContact O-C 3.41Å; I74-V98 WeakPolarHBondContact O-CA 3.33Å; V76-V98 HydrophobicContact CG2-CG1 4.23Å; I88-V98 HydrophobicContact CB-CG1 4.49Å; I88-V98 HydrophobicContact CD1-CG1 4.46Å; I88-V98 HydrophobicContact CG1-CG1 3.87Å; I88-V98 HydrophobicContact CG2-CG1 4.26Å; L91-V98 HydrophobicContact CB-CG2 3.7Å; M92-V98 HydrophobicContact CG-CB 4.32Å; M92-V98 HydrophobicContact CG-CG2 4.02Å; M92-V98 HydrophobicContact SD-CB 3.69Å; M92-V98 HydrophobicContact SD-CG2 3.6Å; M92-V98 VanDerWaalsContact SD-CG2 3.6Å; H96-V98 HydrophobicContact CB-CG2 4.37Å; V98-N120 PolarHBondContact N-O 3.41Å; V98-F121 HydrophobicContact CB-CD2 4.23Å; V98-F121 HydrophobicContact CG1-CD2 4.42Å; V98-F121 HydrophobicContact CG1-CE2 4.38Å; V98-F121 WeakPolarHBondContact O-CA 3.23Å; V98-E122 PolarHBondContact O-N 2.94Å
99I98.8Very high97.6Very high2 Ų240.4 Ų40.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-102.5111.5171.3-47.1175.4000107.8R73 I74 L75 V76 E122 L124 L134 V136R73-I99 HydrophobicContact CG-CD1 4.02Å; R73-I99 HydrophobicContact CG-CG1 4.27Å; I74-I99 PolarHBondContact O-N 2.78Å; L75-I99 WeakPolarHBondContact CA-O 3.45Å; L75-I99 HydrophobicContact CD1-CB 4.07Å; L75-I99 HydrophobicContact CD1-CG2 4Å; V76-I99 PolarHBondContact N-O 2.99Å; I99-E122 CarbonylContact C-O 3.57Å; I99-E122 WeakPolarHBondContact CA-O 3.21Å; I99-E122 HydrophobicContact CG1-CB 4.43Å; I99-E122 HydrophobicContact CG2-CB 4.35Å; I99-E122 HydrophobicContact CG2-CG 4.49Å; I99-L124 HydrophobicContact CG2-CD1 3.53Å; I99-L124 HydrophobicContact CG2-CG 3.91Å; I99-L134 HydrophobicContact CD1-CD1 4.15Å; I99-L134 HydrophobicContact CG2-CD1 4.3Å; I99-V136 HydrophobicContact CD1-CG1 3.86Å
100C98.8Very high97.4Very high0 Ų044.3 Ų44.30%020%0.202CC..EExtended strand (participates in β ladder)trans-85.6119170.7177.60000109.5G79 S80 I88 F121 E122 L123 L124G79-C100 VanDerWaalsContact C-SG 3.59Å; S80-C100 PolarHBondContact OG-SG 3.49Å; S80-C100 VanDerWaalsContact OG-SG 3.41Å; I88-C100 HydrophobicContact CD1-CB 3.67Å; C100-F121 HydrophobicContact CB-CE2 3.83Å; C100-F121 HydrophobicContact CB-CZ 3.55Å; C100-E122 PolarHBondContact N-O 2.87Å; C100-L123 HydrophobicContact CB-CD1 4.06Å; C100-L124 PolarHBondContact O-N 3.49Å
101L98.8Very high97.3Very high2 Ų240.7 Ų40.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-112.2124.1172.7-177.5155.9000110.2L75 V76 T77 G78 G79 L124 H126 I128 I132L75-L101 HydrophobicContact CD1-CB 3.75Å; L75-L101 HydrophobicContact CD1-CD1 4.31Å; V76-L101 PolarHBondContact O-N 3.09Å; T77-L101 CarbonylContact C-O 3.58Å; T77-L101 WeakPolarHBondContact CA-O 3.5Å; T77-L101 HydrophobicContact CG2-CD2 4.37Å; G78-L101 PolarHBondContact N-O 3.15Å; G79-L101 PolarHBondContact N-O 3.1Å; L101-L124 WeakPolarHBondContact CA-O 3.39Å; L101-H126 HydrophobicContact CD1-CB 4.05Å; L101-H126 HydrophobicContact CD2-CB 4.37Å; L101-H126 WeakPolarHBondContact CD2-O 3.25Å; L101-H126 HydrophobicContact CG-CB 3.98Å; L101-I128 HydrophobicContact CD1-CD1 4.35Å; L101-I128 HydrophobicContact CD2-CB 4.44Å; L101-I128 HydrophobicContact CD2-CD1 4.14Å; L101-I132 HydrophobicContact CD1-CD1 3.2Å
102D98.7Very high97.2Very high8 Ų840.5 Ų40.54%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-155.9148.7178.1-150.5-56.4000111.2G78 S80 Y104 L124 R125 H126G78-D102 WeakPolarHBondContact CA-OD2 3.4Å; S80-D102 WeakPolarHBondContact CA-OD2 3.42Å; S80-D102 WeakPolarHBondContact CB-OD2 3.29Å; S80-D102 PolarHBondContact N-OD2 3.15Å; D102-Y104 HydrophobicContact CB-CD1 4.48Å; D102-Y104 HydrophobicContact CB-CE1 4.47Å; D102-Y104 WeakPolarHBondContact OD1-CA 3.35Å; D102-Y104 PolarHBondContact OD1-N 3.41Å; D102-L124 PolarHBondContact N-O 2.9Å; D102-L124 VanDerWaalsContact N-O 3.15Å; D102-R125 VanDerWaalsContact O-CA 3.27Å; D102-R125 WeakPolarHBondContact O-CA 3.37Å; D102-H126 CarbonylContact C-O 3.54Å; D102-H126 PolarHBondContact O-N 3.32Å; D102-H126 VanDerWaalsContact O-N 3.08Å
103N97.7Very high97.1Very high55 Ų5545.5 Ų45.529%0.29421%0.212SC..  trans-97.8-3.3172.370.7-1.7000112.9F105 H126 D127N103-F105 VanDerWaalsContact C-N 3.29Å; N103-F105 PolarHBondContact O-N 2.97Å; N103-F105 VanDerWaalsContact OD1-CB 3.28Å; N103-F105 WeakPolarHBondContact OD1-CB 3.35Å; N103-F105 PolarHBondContact OD1-N 2.86Å; N103-H126 PolarHBondContact N-O 2.71Å; N103-D127 HydrophobicContact CB-CB 4.28Å; N103-D127 PolarHBondContact ND2-OD2 3.24Å
104Y96.9Very high97Very high53 Ų5342.8 Ų42.821%0.20820%0.2CC..  trans62.825-176.1-58.5-58.9000115.4S80 D102 K109 L123 R125S80-Y104 WeakPolarHBondContact OG-CE1 3.45Å; D102-Y104 HydrophobicContact CB-CD1 4.48Å; D102-Y104 HydrophobicContact CB-CE1 4.47Å; D102-Y104 WeakPolarHBondContact OD1-CA 3.35Å; D102-Y104 PolarHBondContact OD1-N 3.41Å; Y104-K109 HydrophobicContact CE1-CB 3.87Å; Y104-L123 WeakPolarHBondContact OH-CD1 3.33Å; Y104-L123 WeakPolarHBondContact OH-CD2 3.35Å; Y104-R125 HydrophobicContact CD2-CG 4.27Å; Y104-R125 HydrophobicContact CE2-CG 4.33Å
105F96.3Very high97Very high96 Ų9641.1 Ų41.142%0.42119%0.191SC..SBendtrans-61.2-54.6173.6179.9-116.6000111N103 P145 Y153N103-F105 VanDerWaalsContact C-N 3.29Å; N103-F105 PolarHBondContact O-N 2.97Å; N103-F105 VanDerWaalsContact OD1-CB 3.28Å; N103-F105 WeakPolarHBondContact OD1-CB 3.35Å; N103-F105 PolarHBondContact OD1-N 2.86Å; F105-P145 HydrophobicContact CD1-CB 4.35Å; F105-P145 HydrophobicContact CE1-CB 4.14Å; F105-P145 HydrophobicContact CE1-CG 4.35Å; F105-Y153 HydrophobicContact CE2-CD1 4.15Å; F105-Y153 HydrophobicContact CE2-CE1 4.35Å; F105-Y153 AromaticContact CZ-CD1 3.8Å; F105-Y153 HydrophobicContact CZ-CD1 3.8Å; F105-Y153 HydrophobicContact CZ-CE1 4.46Å
106T95.1Very high97Very high55 Ų5543 Ų4334%0.33720%0.2SC..SBendtrans-111.8-24.3171.555.20000112.9P145 H150T106-P145 HydrophobicContact CG2-CB 4.21Å; T106-H150 HydrophobicContact CG2-CB 3.91Å
107G95.1Very high96.8Very high1 Ų144.9 Ų44.91%0.0122%0.224CC..  trans-67156.3177.500000113S80S80-G107 WeakPolarHBondContact O-CA 3.39Å
108K95.4Very high96.7Very high126 Ų12642.6 Ų42.655%0.54821%0.213SC..  trans-128.6128.8177.7-59.3-63.5176-167.50109.9S80 K110 N111S80-K108 PolarHBondContact O-N 2.82Å; K108-K110 PolarHBondContact O-N 2.84Å; K108-K110 VanDerWaalsContact O-N 3.15Å; K108-N111 WeakPolarHBondContact O-CB 3.4Å; K108-N111 PolarHBondContact O-N 2.79Å
109K94.9Very high96.5Very high111 Ų11147.9 Ų47.948%0.48325%0.248SC..G310 helixtrans-55-34177.5-172.7174177.9-177.20112.7Y104 N111 I112 E113 L116Y104-K109 HydrophobicContact CE1-CB 3.87Å; K109-N111 PolarHBondContact O-N 3.46Å; K109-N111 VanDerWaalsContact O-N 3.15Å; K109-I112 HydrophobicContact CG-CD1 4.26Å; K109-I112 WeakPolarHBondContact O-CD1 3.44Å; K109-I112 PolarHBondContact O-N 2.95Å; K109-I112 VanDerWaalsContact O-N 3.1Å; K109-E113 PolarHBondContact O-N 3.03Å; K109-L116 HydrophobicContact CD-CD1 4.44Å; K109-L116 HydrophobicContact CG-CD1 4.28Å
110K94.7Very high96.4Very high99 Ų9949.4 Ų49.443%0.4326%0.256SS..G310 helixtrans-51.6-33.9174.4-173.2177.3-178.4177.30113.3K108 I112 E113K108-K110 PolarHBondContact O-N 2.84Å; K108-K110 VanDerWaalsContact O-N 3.15Å; K110-I112 PolarHBondContact O-N 2.97Å; K110-E113 WeakPolarHBondContact O-CG 3.38Å; K110-E113 PolarHBondContact O-N 3.38Å
111N97.1Very high96.4Very high14 Ų1450.2 Ų50.28%0.07526%0.26CS..G310 helixtrans-66.9-19-177-68.5-15.3000113.5S80 K108 K109 Q114S80-N111 PolarHBondContact O-ND2 2.72Å; K108-N111 WeakPolarHBondContact O-CB 3.4Å; K108-N111 PolarHBondContact O-N 2.79Å; K109-N111 PolarHBondContact O-N 3.46Å; K109-N111 VanDerWaalsContact O-N 3.15Å; N111-Q114 PolarHBondContact O-NE2 3.34Å; N111-Q114 VanDerWaalsContact O-NE2 3.08Å; N111-Q114 PolarHBondContact O-OE1 2.96Å
112I97.2Very high96.3Very high0 Ų053.6 Ų53.60%028%0.275CS..G310 helixtrans-126.211.1-1775676.2000112.6S80 I88 K109 K110 Q114 W115 L116 F121 L123S80-I112 WeakPolarHBondContact OG-CG1 3.4Å; I88-I112 HydrophobicContact CD1-CG2 4.01Å; I88-I112 HydrophobicContact CG2-CG2 4.44Å; K109-I112 HydrophobicContact CG-CD1 4.26Å; K109-I112 WeakPolarHBondContact O-CD1 3.44Å; K109-I112 PolarHBondContact O-N 2.95Å; K109-I112 VanDerWaalsContact O-N 3.1Å; K110-I112 PolarHBondContact O-N 2.97Å; I112-Q114 VanDerWaalsContact C-OE1 3.29Å; I112-Q114 PolarHBondContact O-N 2.9Å; I112-W115 PolarHBondContact O-N 3.5Å; I112-W115 VanDerWaalsContact O-N 3.13Å; I112-L116 HydrophobicContact CD1-CD2 3.86Å; I112-L116 HydrophobicContact CD1-CG 4.24Å; I112-F121 HydrophobicContact CB-CZ 4.09Å; I112-F121 HydrophobicContact CD1-CE1 4.2Å; I112-F121 HydrophobicContact CD1-CZ 4.2Å; I112-F121 HydrophobicContact CG1-CZ 4.38Å; I112-L123 HydrophobicContact CD1-CD1 4.34Å; I112-L123 HydrophobicContact CD1-CD2 4.2Å
113E95.9Very high96.3Very high107 Ų10755.6 Ų55.650%0.529%0.286SS..G310 helixtrans-63.8-31.4-172.873-169168.900113.1K109 K110 W115 L116K109-E113 PolarHBondContact O-N 3.03Å; K110-E113 WeakPolarHBondContact O-CG 3.38Å; K110-E113 PolarHBondContact O-N 3.38Å; E113-W115 PolarHBondContact O-N 2.79Å; E113-W115 VanDerWaalsContact O-N 3.08Å; E113-L116 HydrophobicContact CB-CD1 4.19Å; E113-L116 WeakPolarHBondContact O-CB 3.43Å; E113-L116 PolarHBondContact O-N 2.98Å; E113-L116 VanDerWaalsContact O-N 3.08Å
114Q96.1Very high96.3Very high47 Ų4754.9 Ų54.922%0.2228%0.282CS..G310 helixtrans-60.6-15.2176.468.6-80.39.900114.1Y60 P61 D89 N111 I112Y60-Q114 WeakPolarHBondContact CD1-O 3.48Å; P61-Q114 HydrophobicContact CG-CB 4.33Å; P61-Q114 HydrophobicContact CG-CG 4.32Å; D89-Q114 PolarHBondContact OD1-NE2 3.13Å; N111-Q114 PolarHBondContact O-NE2 3.34Å; N111-Q114 VanDerWaalsContact O-NE2 3.08Å; N111-Q114 PolarHBondContact O-OE1 2.96Å; I112-Q114 VanDerWaalsContact C-OE1 3.29Å; I112-Q114 PolarHBondContact O-N 2.9Å
115W97.4Very high96.4Very high0 Ų061.9 Ų61.90%031%0.308CS..G310 helixtrans-106.9-5.4178.4-57.4118000113.5P61 M63 D89 M92 K93 I112 E113 G117 H118 F121P61-W115 HydrophobicContact CB-CH2 3.72Å; P61-W115 HydrophobicContact CB-CZ2 4.31Å; P61-W115 HydrophobicContact CB-CZ3 4.21Å; P61-W115 HydrophobicContact CG-CH2 3.78Å; P61-W115 HydrophobicContact CG-CZ2 4.07Å; P61-W115 HydrophobicContact CG-CZ3 4.07Å; M63-W115 HydrophobicContact CG-CH2 4.17Å; M63-W115 HydrophobicContact CG-CZ3 4.02Å; M63-W115 HydrophobicContact SD-CZ3 3.97Å; D89-W115 PolarHBondContact OD1-NE1 3.26Å; M92-W115 HydrophobicContact CB-CD2 3.89Å; M92-W115 HydrophobicContact CB-CE3 4Å; M92-W115 HydrophobicContact CB-CH2 3.62Å; M92-W115 HydrophobicContact CB-CZ2 3.51Å; M92-W115 HydrophobicContact CB-CZ3 3.87Å; M92-W115 HydrophobicContact CE-CD2 4.01Å; M92-W115 HydrophobicContact CE-CE3 3.57Å; M92-W115 HydrophobicContact CE-CG 4.46Å; M92-W115 HydrophobicContact CE-CZ3 4.06Å; M92-W115 HydrophobicContact CG-CD2 3.79Å; M92-W115 HydrophobicContact CG-CE3 4.16Å; M92-W115 HydrophobicContact CG-CG 4.09Å; M92-W115 HydrophobicContact CG-CZ2 4.25Å; K93-W115 HydrophobicContact CG-CH2 4.14Å; K93-W115 HydrophobicContact CG-CZ2 4.3Å; I112-W115 PolarHBondContact O-N 3.5Å; I112-W115 VanDerWaalsContact O-N 3.13Å; E113-W115 PolarHBondContact O-N 2.79Å; E113-W115 VanDerWaalsContact O-N 3.08Å; W115-G117 PolarHBondContact O-N 2.8Å; W115-H118 WeakPolarHBondContact O-CB 3.28Å; W115-H118 PolarHBondContact O-N 3.43Å; W115-F121 HydrophobicContact CB-CB 4.11Å; W115-F121 HydrophobicContact CB-CD1 3.68Å; W115-F121 HydrophobicContact CB-CD2 3.83Å; W115-F121 HydrophobicContact CB-CE1 3.99Å; W115-F121 HydrophobicContact CB-CE2 4.15Å; W115-F121 HydrophobicContact CB-CG 3.58Å; W115-F121 HydrophobicContact CB-CZ 4.21Å; W115-F121 HydrophobicContact CG-CD2 4.44Å; W115-F121 VanDerWaalsContact O-CD1 3.3Å; W115-F121 WeakPolarHBondContact O-CD1 3.35Å
116L95.9Very high96.5Very high44 Ų4459.6 Ų59.623%0.2330%0.298CS..THydrogen-bonded Turntrans-66.7119.5-175.3-67.3174.4000112.1R59 K109 I112 E113 F121 L123R59-L116 PolarHBondContact NH2-O 3.49Å; K109-L116 HydrophobicContact CD-CD1 4.44Å; K109-L116 HydrophobicContact CG-CD1 4.28Å; I112-L116 HydrophobicContact CD1-CD2 3.86Å; I112-L116 HydrophobicContact CD1-CG 4.24Å; E113-L116 HydrophobicContact CB-CD1 4.19Å; E113-L116 WeakPolarHBondContact O-CB 3.43Å; E113-L116 PolarHBondContact O-N 2.98Å; E113-L116 VanDerWaalsContact O-N 3.08Å; L116-F121 HydrophobicContact CD2-CE1 4.07Å; L116-L123 HydrophobicContact CD2-CB 4.3Å; L116-L123 HydrophobicContact CD2-CD2 3.77Å
117G94.5Very high96.7Very high55 Ų5558.7 Ų58.757%0.56729%0.291SS*.THydrogen-bonded Turntrans93.6-4.1-176.600000113.9Y60 W115Y60-G117 WeakPolarHBondContact OH-CA 3.45Å; Y60-G117 PolarHBondContact OH-O 3.34Å; W115-G117 PolarHBondContact O-N 2.8Å
118H96.4Very high96.8Very high17 Ų1758.9 Ų58.98%0.07929%0.292CS..  trans-66.3134174.5-173.6-84.3000109.9Y60 M63 M92 W115 N120 F121Y60-H118 HydrophobicContact CD1-CB 3.91Å; Y60-H118 HydrophobicContact CD2-CB 4.41Å; Y60-H118 AromaticContact CD2-CD2 3.52Å; Y60-H118 HydrophobicContact CE1-CB 3.83Å; Y60-H118 HydrophobicContact CE2-CB 4.3Å; Y60-H118 HydrophobicContact CG-CB 4.22Å; Y60-H118 AromaticContact CG-CD2 3.62Å; Y60-H118 PolarHBondContact OH-N 2.84Å; M63-H118 WeakPolarHBondContact CE-NE2 3.39Å; M63-H118 PolarHBondContact SD-NE2 2.91Å; M63-H118 VanDerWaalsContact SD-NE2 3.43Å; M92-H118 HydrophobicContact CE-CB 4.25Å; M92-H118 WeakPolarHBondContact CE-ND1 3.37Å; W115-H118 WeakPolarHBondContact O-CB 3.28Å; W115-H118 PolarHBondContact O-N 3.43Å; H118-N120 PolarHBondContact ND1-N 3.06Å; H118-N120 PolarHBondContact O-N 3.33Å; H118-N120 VanDerWaalsContact O-N 3.13Å; H118-F121 HydrophobicContact CB-CB 3.98Å; H118-F121 PolarHBondContact O-N 2.86Å
119P94.9Very high97Very high114 Ų11454.1 Ų54.174%0.7427%0.273SS*.THydrogen-bonded Turntrans-57.5-30.8-175.9-2835.5000115.2
120N96.4Very high97.1Very high33 Ų3353 Ų5318%0.17627%0.272CS..THydrogen-bonded Turntrans-91.47.4177.7-60.2-8.3000113.5R71 M92 E97 V98 H118R71-N120 PolarHBondContact NH1-OD1 3.4Å; M92-N120 HydrophobicContact CE-CB 4.48Å; E97-N120 CarbonylContact C-O 3.6Å; E97-N120 WeakPolarHBondContact CA-O 3.4Å; E97-N120 HydrophobicContact CG-CB 3.86Å; V98-N120 PolarHBondContact N-O 3.41Å; H118-N120 PolarHBondContact ND1-N 3.06Å; H118-N120 PolarHBondContact O-N 3.33Å; H118-N120 VanDerWaalsContact O-N 3.13Å
121F98.2Very high97.3Very high18 Ų1852 Ų528%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-121124.2-178.9-173.1-103.6000111.6I88 M92 V98 C100 I112 W115 L116 H118 L123I88-F121 HydrophobicContact CD1-CE2 4.26Å; I88-F121 HydrophobicContact CG2-CD2 4.29Å; I88-F121 HydrophobicContact CG2-CE2 3.63Å; I88-F121 HydrophobicContact CG2-CZ 4.49Å; M92-F121 HydrophobicContact CE-CB 3.8Å; M92-F121 HydrophobicContact CE-CD2 4.49Å; M92-F121 HydrophobicContact CG-CD2 4.36Å; M92-F121 HydrophobicContact SD-CB 4.08Å; M92-F121 HydrophobicContact SD-CD2 3.89Å; M92-F121 HydrophobicContact SD-CG 4.46Å; V98-F121 HydrophobicContact CB-CD2 4.23Å; V98-F121 HydrophobicContact CG1-CD2 4.42Å; V98-F121 HydrophobicContact CG1-CE2 4.38Å; V98-F121 WeakPolarHBondContact O-CA 3.23Å; C100-F121 HydrophobicContact CB-CE2 3.83Å; C100-F121 HydrophobicContact CB-CZ 3.55Å; I112-F121 HydrophobicContact CB-CZ 4.09Å; I112-F121 HydrophobicContact CD1-CE1 4.2Å; I112-F121 HydrophobicContact CD1-CZ 4.2Å; I112-F121 HydrophobicContact CG1-CZ 4.38Å; W115-F121 HydrophobicContact CB-CB 4.11Å; W115-F121 HydrophobicContact CB-CD1 3.68Å; W115-F121 HydrophobicContact CB-CD2 3.83Å; W115-F121 HydrophobicContact CB-CE1 3.99Å; W115-F121 HydrophobicContact CB-CE2 4.15Å; W115-F121 HydrophobicContact CB-CG 3.58Å; W115-F121 HydrophobicContact CB-CZ 4.21Å; W115-F121 HydrophobicContact CG-CD2 4.44Å; W115-F121 VanDerWaalsContact O-CD1 3.3Å; W115-F121 WeakPolarHBondContact O-CD1 3.35Å; L116-F121 HydrophobicContact CD2-CE1 4.07Å; H118-F121 HydrophobicContact CB-CB 3.98Å; H118-F121 PolarHBondContact O-N 2.86Å; F121-L123 HydrophobicContact CE1-CB 4.18Å
122E98.2Very high97.2Very high73 Ų7352.3 Ų52.334%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-119.2132.3176.6-171.3177.7177.700109.6R73 V98 I99 C100 L124R73-E122 IonicContact NH2-OE2 3.14Å; R73-E122 PolarHBondContact NH2-OE2 3.18Å; V98-E122 PolarHBondContact O-N 2.94Å; I99-E122 CarbonylContact C-O 3.57Å; I99-E122 WeakPolarHBondContact CA-O 3.21Å; I99-E122 HydrophobicContact CG1-CB 4.43Å; I99-E122 HydrophobicContact CG2-CB 4.35Å; I99-E122 HydrophobicContact CG2-CG 4.49Å; C100-E122 PolarHBondContact N-O 2.87Å; E122-L124 HydrophobicContact CG-CD2 4.27Å; E122-L124 HydrophobicContact CG-CG 4.34Å
123L98.3Very high97.2Very high50 Ų5061 Ų6126%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-111.1121.3175171.665.6000109.8C100 Y104 I112 L116 F121C100-L123 HydrophobicContact CB-CD1 4.06Å; Y104-L123 WeakPolarHBondContact OH-CD1 3.33Å; Y104-L123 WeakPolarHBondContact OH-CD2 3.35Å; I112-L123 HydrophobicContact CD1-CD1 4.34Å; I112-L123 HydrophobicContact CD1-CD2 4.2Å; L116-L123 HydrophobicContact CD2-CB 4.3Å; L116-L123 HydrophobicContact CD2-CD2 3.77Å; F121-L123 HydrophobicContact CE1-CB 4.18Å
124L98Very high97.3Very high40 Ų4057 Ų5721%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-115.1111.4176.6-62.2179.8000110.3I99 C100 L101 D102 E122 H126 I132 L134I99-L124 HydrophobicContact CG2-CD1 3.53Å; I99-L124 HydrophobicContact CG2-CG 3.91Å; C100-L124 PolarHBondContact O-N 3.49Å; L101-L124 WeakPolarHBondContact CA-O 3.39Å; D102-L124 PolarHBondContact N-O 2.9Å; D102-L124 VanDerWaalsContact N-O 3.15Å; E122-L124 HydrophobicContact CG-CD2 4.27Å; E122-L124 HydrophobicContact CG-CG 4.34Å; L124-H126 PolarHBondContact O-N 3.33Å; L124-I132 HydrophobicContact CD1-CD1 4.46Å; L124-L134 HydrophobicContact CD1-CD1 3.72Å; L124-L134 HydrophobicContact CD1-CD2 3.74Å; L124-L134 HydrophobicContact CD1-CG 4.33Å
125R98.1Very high97.4Very high199 Ų19959.9 Ų59.975%0.75131%0.307SS*.EExtended strand (participates in β ladder)trans-77.5100.2170.5-172.1-179.1-177.6-172.40.2109.1D102 Y104D102-R125 VanDerWaalsContact O-CA 3.27Å; D102-R125 WeakPolarHBondContact O-CA 3.37Å; Y104-R125 HydrophobicContact CD2-CG 4.27Å; Y104-R125 HydrophobicContact CE2-CG 4.33Å
126H98.5Very high97.4Very high49 Ų4960.3 Ų60.323%0.22731%0.31CS..  trans-149.9146.3-174.2-171.184.7000111.3L101 D102 N103 L124 N130 P131L101-H126 HydrophobicContact CD1-CB 4.05Å; L101-H126 HydrophobicContact CD2-CB 4.37Å; L101-H126 WeakPolarHBondContact CD2-O 3.25Å; L101-H126 HydrophobicContact CG-CB 3.98Å; D102-H126 CarbonylContact C-O 3.54Å; D102-H126 PolarHBondContact O-N 3.32Å; D102-H126 VanDerWaalsContact O-N 3.08Å; N103-H126 PolarHBondContact N-O 2.71Å; L124-H126 PolarHBondContact O-N 3.33Å; H126-N130 PolarHBondContact NE2-O 3.31Å; H126-P131 PolarHBondContact CE1-O 2.86Å; H126-P131 PolarHBondContact NE2-O 2.93Å
127D98.4Very high97.6Very high36 Ų3661 Ų6119%0.19331%0.314CS..  trans-95121.8174.7-169.3-43.2000109.6N103 V129 N130 K157N103-D127 HydrophobicContact CB-CB 4.28Å; N103-D127 PolarHBondContact ND2-OD2 3.24Å; D127-V129 PolarHBondContact O-N 3.14Å; D127-V129 WeakPolarHBondContact OD1-CB 3.43Å; D127-V129 WeakPolarHBondContact OD1-CG2 3.4Å; D127-V129 PolarHBondContact OD1-N 3.28Å; D127-V129 VanDerWaalsContact OD1-N 3.09Å; D127-N130 PolarHBondContact O-N 2.86Å; D127-K157 IonicContact OD1-NZ 2.75Å; D127-K157 PolarHBondContact OD1-NZ 3.39Å; D127-K157 WeakPolarHBondContact OD2-CE 3.38Å; D127-K157 IonicContact OD2-NZ 3.98Å; D127-K157 PolarHBondContact OD2-NZ 3.34Å
128I98.5Very high97.8Very high5 Ų560.2 Ų60.23%0.02629%0.294CS..THydrogen-bonded Turntrans-64.5-17.4-171.4-158.854.9000113.6T77 L101 N130 A143 T161 G165 N168 V169T77-I128 HydrophobicContact CG2-CD1 3.78Å; T77-I128 HydrophobicContact CG2-CG1 4.35Å; L101-I128 HydrophobicContact CD1-CD1 4.35Å; L101-I128 HydrophobicContact CD2-CB 4.44Å; L101-I128 HydrophobicContact CD2-CD1 4.14Å; I128-N130 PolarHBondContact O-N 3.46Å; I128-A143 HydrophobicContact CB-CB 4.22Å; I128-A143 HydrophobicContact CG2-CB 3.88Å; I128-T161 HydrophobicContact CG2-CG2 3.79Å; I128-G165 WeakPolarHBondContact O-CA 3.23Å; I128-N168 PolarHBondContact O-ND2 2.79Å; I128-V169 HydrophobicContact CD1-CG2 3.65Å; I128-V169 HydrophobicContact CG1-CG2 3.93Å
129V98.4Very high97.9Very high25 Ų2559.4 Ų59.415%0.15229%0.29CS..THydrogen-bonded Turntrans-65.2-22.2173.41760000112.2D127 K157 K160 M164 N168D127-V129 PolarHBondContact O-N 3.14Å; D127-V129 WeakPolarHBondContact OD1-CB 3.43Å; D127-V129 WeakPolarHBondContact OD1-CG2 3.4Å; D127-V129 PolarHBondContact OD1-N 3.28Å; D127-V129 VanDerWaalsContact OD1-N 3.09Å; V129-K157 VanDerWaalsContact CG2-NZ 3.31Å; V129-K160 HydrophobicContact CG1-CB 4.45Å; V129-K160 HydrophobicContact CG2-CB 4.17Å; V129-M164 HydrophobicContact CG1-CB 4.03Å; V129-N168 PolarHBondContact O-ND2 2.88Å
130N98.5Very high98.1Very high87 Ų8754.1 Ų54.147%0.46526%0.255SS..SBendtrans-91.8142.8176.5-59.9-42.5000111.1H126 D127 I128 N168H126-N130 PolarHBondContact NE2-O 3.31Å; D127-N130 PolarHBondContact O-N 2.86Å; I128-N130 PolarHBondContact O-N 3.46Å; N130-N168 VanDerWaalsContact C-ND2 3.26Å; N130-N168 PolarHBondContact O-ND2 3.41Å
131P97.7Very high98.2Very high79 Ų7952.7 Ų52.751%0.51325%0.248SC..  trans-52.2145.9175-26.934.9000112.7H126 Y133H126-P131 PolarHBondContact CE1-O 2.86Å; H126-P131 PolarHBondContact NE2-O 2.93Å; P131-Y133 HydrophobicContact CB-CE2 4.34Å
132I96Very high98.2Very high21 Ų2152.9 Ų52.911%0.10825%0.249CC..  trans-140.9140.4178.3-172.6166.3000111.3L101 L124 L134 L172L101-I132 HydrophobicContact CD1-CD1 3.2Å; L124-I132 HydrophobicContact CD1-CD1 4.46Å; I132-L134 HydrophobicContact CD1-CD1 3.56Å; I132-L134 HydrophobicContact CD1-CG 4.02Å; I132-L134 HydrophobicContact CG1-CD1 4.01Å; I132-L134 HydrophobicContact CG1-CG 3.94Å; I132-L172 HydrophobicContact CG2-CD2 4.31Å
133Y96.6Very high98.2Very high182 Ų18250 Ų5071%0.71424%0.238SC*.  trans-123.2111.7-179.6-59.5-89.6000109.2P131P131-Y133 HydrophobicContact CB-CE2 4.34Å
134L97.9Very high98.2Very high23 Ų2348.7 Ų48.712%0.1223%0.233CC..  trans-141.8158.1179-65.2171.8000109.6L75 I99 L124 I132 V136 L172 R175 T176L75-L134 HydrophobicContact CD1-CD1 4.13Å; L75-L134 HydrophobicContact CD2-CD1 4.39Å; I99-L134 HydrophobicContact CD1-CD1 4.15Å; I99-L134 HydrophobicContact CG2-CD1 4.3Å; L124-L134 HydrophobicContact CD1-CD1 3.72Å; L124-L134 HydrophobicContact CD1-CD2 3.74Å; L124-L134 HydrophobicContact CD1-CG 4.33Å; I132-L134 HydrophobicContact CD1-CD1 3.56Å; I132-L134 HydrophobicContact CD1-CG 4.02Å; I132-L134 HydrophobicContact CG1-CD1 4.01Å; I132-L134 HydrophobicContact CG1-CG 3.94Å; L134-V136 HydrophobicContact CB-CG1 4.05Å; L134-L172 VanDerWaalsContact O-CD1 3.29Å; L134-L172 WeakPolarHBondContact O-CD1 3.4Å; L134-R175 PolarHBondContact O-NH2 3.14Å; L134-T176 VanDerWaalsContact O-CG2 3.27Å; L134-T176 WeakPolarHBondContact O-CG2 3.33Å
135E98Very high98Very high108 Ų10847.2 Ų47.251%0.50523%0.226SC..  trans-97.7118.9168.4-61.7-51.6129.300108.6R73 R175R73-E135 WeakPolarHBondContact CD-O 3.39Å; R73-E135 PolarHBondContact NE-O 2.81Å; R73-E135 PolarHBondContact NH1-O 2.7Å; E135-R175 IonicContact OE1-CZ 3.96Å; E135-R175 IonicContact OE1-NH1 3.03Å; E135-R175 PolarHBondContact OE1-NH1 2.96Å; E135-R175 IonicContact OE1-NH2 2.62Å
136V98.6Very high97.8Very high8 Ų840 Ų405%0.04821%0.208CC..  trans-145.9144.4-171.8-64.50000110.4L75 I99 L134 I139 L172 T176 A178L75-V136 HydrophobicContact CB-CG1 3.87Å; I99-V136 HydrophobicContact CD1-CG1 3.86Å; L134-V136 HydrophobicContact CB-CG1 4.05Å; V136-I139 HydrophobicContact CB-CG1 4.5Å; V136-I139 HydrophobicContact CG2-CD1 3.87Å; V136-I139 HydrophobicContact CG2-CG1 3.77Å; V136-L172 HydrophobicContact CG2-CD1 4.41Å; V136-L172 HydrophobicContact CG2-CD2 4.16Å; V136-L172 HydrophobicContact CG2-CG 4.16Å; V136-T176 HydrophobicContact CG2-CG2 4.4Å; V136-T176 WeakPolarHBondContact O-CB 3.46Å; V136-T176 PolarHBondContact O-OG1 3.49Å; V136-T176 VanDerWaalsContact O-OG1 3.13Å; V136-A178 HydrophobicContact CG2-CB 4.1Å; V136-A178 WeakPolarHBondContact O-CB 3.31Å
137D98.7Very high97.5Very high60 Ų6037.7 Ų37.732%0.32120%0.198SC..SBendtrans-96.1-28.7176-63.4-74.4000112.9K72 R73 A178 R179K72-D137 WeakPolarHBondContact CA-OD2 3.43Å; K72-D137 HydrophobicContact CB-CB 4.06Å; K72-D137 HydrophobicContact CD-CB 3.85Å; K72-D137 HydrophobicContact CG-CB 4.41Å; R73-D137 PolarHBondContact N-OD2 2.83Å; R73-D137 PolarHBondContact O-N 3.15Å; D137-A178 WeakPolarHBondContact O-CA 3.34Å; D137-R179 PolarHBondContact O-N 3.48Å
138R98.8Very high97.2Very high37 Ų3737.6 Ų37.614%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-141.3143.3-175.9-62-66.4-176-101.18109.7R73 I74 L75 R179 E297R73-R138 PolarHBondContact O-N 3.17Å; I74-R138 WeakPolarHBondContact CA-O 3.14Å; I74-R138 HydrophobicContact CB-CB 4.32Å; I74-R138 HydrophobicContact CG1-CB 4.01Å; I74-R138 HydrophobicContact CG1-CG 4.37Å; I74-R138 HydrophobicContact CG2-CB 3.94Å; L75-R138 PolarHBondContact N-O 3.3Å; R138-R179 CarbonylContact C-O 3.56Å; R138-R179 VanDerWaalsContact CA-O 3.32Å; R138-R179 WeakPolarHBondContact CA-O 3.47Å; R138-E297 IonicContact NE-OE1 3.58Å; R138-E297 PolarHBondContact NE-OE1 3.43Å; R138-E297 IonicContact NH2-OE2 3.43Å
139I98.9Very high96.9Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-131.4121.4175.3-52.6172.8000109.5L75 V136 V169 L172 A173 A178 R179 V180 L181 M296L75-I139 HydrophobicContact CB-CG1 4.31Å; L75-I139 HydrophobicContact CB-CG2 4.33Å; L75-I139 HydrophobicContact CD2-CG1 4.4Å; L75-I139 HydrophobicContact CD2-CG2 4.01Å; L75-I139 HydrophobicContact CG-CG2 4.24Å; L75-I139 CarbonylContact O-C 3.59Å; L75-I139 WeakPolarHBondContact O-CA 3.27Å; V136-I139 HydrophobicContact CB-CG1 4.5Å; V136-I139 HydrophobicContact CG2-CD1 3.87Å; V136-I139 HydrophobicContact CG2-CG1 3.77Å; I139-V169 HydrophobicContact CD1-CG1 4.28Å; I139-V169 HydrophobicContact CG2-CG1 3.76Å; I139-L172 HydrophobicContact CD1-CB 4.45Å; I139-L172 HydrophobicContact CD1-CD2 3.93Å; I139-L172 HydrophobicContact CD1-CG 3.97Å; I139-A173 HydrophobicContact CD1-CB 3.96Å; I139-A178 HydrophobicContact CD1-CB 4.17Å; I139-A178 HydrophobicContact CG1-CB 4.13Å; I139-R179 PolarHBondContact N-O 2.82Å; I139-V180 HydrophobicContact CB-CB 4.18Å; I139-V180 HydrophobicContact CB-CG2 4.08Å; I139-V180 HydrophobicContact CG2-CG2 4.29Å; I139-V180 CarbonylContact O-C 3.43Å; I139-V180 WeakPolarHBondContact O-CA 3.15Å; I139-L181 PolarHBondContact O-N 2.99Å; I139-M296 WeakPolarHBondContact O-CE 3.26Å
140Y99Very high96.6Very high3 Ų342.1 Ų42.11%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-99.5105.1165.2-70.9-91.1000108.4I74 L75 V76 T77 L87 L91 L142 L181 L292 M296I74-Y140 HydrophobicContact CG2-CD2 3.57Å; I74-Y140 HydrophobicContact CG2-CE2 3.77Å; L75-Y140 PolarHBondContact O-N 3.45Å; V76-Y140 WeakPolarHBondContact CA-O 3.32Å; T77-Y140 PolarHBondContact N-O 3.08Å; L87-Y140 HydrophobicContact CD1-CE1 4.25Å; L87-Y140 HydrophobicContact CD2-CD1 3.57Å; L87-Y140 HydrophobicContact CD2-CD2 4.05Å; L87-Y140 HydrophobicContact CD2-CE1 4.06Å; L87-Y140 HydrophobicContact CD2-CG 3.55Å; L91-Y140 HydrophobicContact CD1-CD2 4.22Å; L91-Y140 HydrophobicContact CD1-CE2 4.03Å; L91-Y140 HydrophobicContact CD2-CE2 4.23Å; Y140-L142 VanDerWaalsContact C-CD1 3.46Å; Y140-L142 PolarHBondContact O-N 3.27Å; Y140-L181 HydrophobicContact CD1-CB 4.16Å; Y140-L181 HydrophobicContact CD1-CD1 4.27Å; Y140-L181 HydrophobicContact CD1-CD2 4.19Å; Y140-L181 HydrophobicContact CD1-CG 4.45Å; Y140-L181 HydrophobicContact CE1-CD1 4.1Å; Y140-L292 HydrophobicContact CE1-CB 4.33Å; Y140-M296 HydrophobicContact CD1-CE 3.65Å; Y140-M296 HydrophobicContact CD2-CE 3.68Å; Y140-M296 HydrophobicContact CE1-CB 3.83Å; Y140-M296 HydrophobicContact CE1-CE 3.56Å; Y140-M296 HydrophobicContact CE1-CG 4.19Å; Y140-M296 HydrophobicContact CE2-CE 3.57Å; Y140-M296 HydrophobicContact CE2-CG 4.18Å; Y140-M296 HydrophobicContact CG-CE 3.72Å; Y140-M296 WeakPolarHBondContact OH-CB 3.49Å; Y140-M296 WeakPolarHBondContact OH-CG 3.33Å
141H98.9Very high96.4Very high4 Ų438 Ų382%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-89.685.6-178-17231000111.5T77 T166 V169 L181 A183T77-H141 VanDerWaalsContact OG1-CA 3.29Å; T77-H141 WeakPolarHBondContact OG1-CA 3.39Å; T77-H141 PolarHBondContact OG1-ND1 3.33Å; H141-T166 PolarHBondContact CD2-OG1 3.15Å; H141-T166 PolarHBondContact NE2-N 2.88Å; H141-T166 PolarHBondContact NE2-OG1 2.83Å; H141-V169 HydrophobicContact CB-CG1 4.13Å; H141-L181 PolarHBondContact N-O 3.42Å; H141-A183 WeakPolarHBondContact O-CB 3.38Å; H141-A183 PolarHBondContact O-N 2.96Å
142L98.8Very high96.3Very high21 Ų2137.5 Ų37.511%0.1119%0.194CC..  trans-103.4-0.4-179.4-71.359.8000113.6V76 T77 V83 L87 Y140 S144 A183V76-L142 HydrophobicContact CG1-CD2 4.48Å; T77-L142 CarbonylContact O-C 3.55Å; T77-L142 VanDerWaalsContact O-C 3.27Å; T77-L142 VanDerWaalsContact O-CA 3.27Å; T77-L142 WeakPolarHBondContact O-CA 3.31Å; T77-L142 VanDerWaalsContact O-CB 3.22Å; T77-L142 WeakPolarHBondContact O-CB 3.29Å; T77-L142 PolarHBondContact O-N 3.34Å; T77-L142 PolarHBondContact OG1-N 2.91Å; T77-L142 VanDerWaalsContact OG1-N 3.13Å; V83-L142 HydrophobicContact CB-CD2 4.12Å; V83-L142 HydrophobicContact CG1-CD2 3.76Å; L87-L142 HydrophobicContact CD2-CD1 4.39Å; L87-L142 HydrophobicContact CD2-CD2 4.15Å; Y140-L142 VanDerWaalsContact C-CD1 3.46Å; Y140-L142 PolarHBondContact O-N 3.27Å; L142-S144 PolarHBondContact O-N 3.47Å; L142-A183 HydrophobicContact CB-CB 4.28Å; L142-A183 HydrophobicContact CD1-CB 4.02Å; L142-A183 HydrophobicContact CG-CB 3.74Å
143A98.4Very high96.2Very high14 Ų1444.9 Ų44.912%0.11622%0.222CC..  trans-71.7100.7-17400000111.6T77 I128 T161T77-A143 PolarHBondContact O-N 3.38Å; T77-A143 VanDerWaalsContact O-N 3.09Å; T77-A143 WeakPolarHBondContact OG1-CB 3.46Å; T77-A143 PolarHBondContact OG1-N 2.69Å; T77-A143 VanDerWaalsContact OG1-N 3.15Å; I128-A143 HydrophobicContact CB-CB 4.22Å; I128-A143 HydrophobicContact CG2-CB 3.88Å; A143-T161 WeakPolarHBondContact O-CG2 3.45Å
144S97.3Very high96.3Very high21 Ų2139.7 Ų39.715%0.14721%0.207CC..SBendtrans-170.5140.5167.5-166.50000109.5L142 A146 N162L142-S144 PolarHBondContact O-N 3.47Å; S144-A146 PolarHBondContact O-N 3.02Å; S144-N162 VanDerWaalsContact CB-OD1 3.26Å; S144-N162 WeakPolarHBondContact CB-OD1 3.41Å; S144-N162 PolarHBondContact OG-ND2 3.38Å; S144-N162 PolarHBondContact OG-OD1 3.18Å
145P94.8Very high96.2Very high10 Ų1041.3 Ų41.37%0.06522%0.219CC..  trans-63128.1163.128.5-32.2000108.9F105 T106 H150 Y151 T158 Y214F105-P145 HydrophobicContact CD1-CB 4.35Å; F105-P145 HydrophobicContact CE1-CB 4.14Å; F105-P145 HydrophobicContact CE1-CG 4.35Å; T106-P145 HydrophobicContact CG2-CB 4.21Å; P145-H150 HydrophobicContact CB-CB 3.9Å; P145-Y151 WeakPolarHBondContact O-CB 3.25Å; P145-T158 HydrophobicContact CG-CG2 4.42Å; P145-Y214 VanDerWaalsContact O-CD2 3.3Å; P145-Y214 WeakPolarHBondContact O-CD2 3.47Å; P145-Y214 WeakPolarHBondContact O-CE2 3.47Å
146A93.1Very high96.2Very high46 Ų4640.4 Ų40.438%0.3822%0.22SC..  trans-114.5-12.8-173.300000114.3S144 Y214S144-A146 PolarHBondContact O-N 3.02Å; A146-Y214 HydrophobicContact CB-CE2 4.29Å
147S92.4Very high96.2Very high2 Ų242.8 Ų42.81%0.01423%0.23CC..SBendtrans-92.1144.517670.30000111.5H150 Y151 D253S147-H150 PolarHBondContact O-N 3.23Å; S147-H150 PolarHBondContact OG-ND1 3.29Å; S147-Y151 WeakPolarHBondContact O-CD1 3.3Å; S147-Y151 PolarHBondContact O-N 2.72Å; S147-D253 WeakPolarHBondContact CB-O 3.38Å; S147-D253 PolarHBondContact OG-O 3.45Å; S147-D253 VanDerWaalsContact OG-O 3.14Å
148P91.7Very high96.2Very high34 Ų3440.1 Ų40.122%0.22122%0.216CC..Hα-helixtrans-52.2-48-176.5-2330.1000114.8H150 Y151 M152P148-H150 PolarHBondContact O-N 3.33Å; P148-H150 VanDerWaalsContact O-N 3.16Å; P148-Y151 HydrophobicContact CB-CE1 4.09Å; P148-Y151 HydrophobicContact CB-CE2 4.41Å; P148-Y151 HydrophobicContact CG-CE1 3.99Å; P148-Y151 PolarHBondContact O-N 3.45Å; P148-M152 HydrophobicContact CB-CE 4.23Å; P148-M152 HydrophobicContact CB-SD 4.41Å; P148-M152 WeakPolarHBondContact O-CB 3.29Å; P148-M152 WeakPolarHBondContact O-CG 3.38Å; P148-M152 PolarHBondContact O-N 3.27Å
149P91.8Very high96.1Very high70 Ų7041.8 Ų41.846%0.45523%0.227SC..Hα-helixtrans-59-33.9178.1-24.435.2000113.3Y153P149-Y153 WeakPolarHBondContact O-CB 3.25Å; P149-Y153 PolarHBondContact O-N 3.17Å
150H93.1Very high96.1Very high54 Ų5446.9 Ų46.925%0.2525%0.249CC..Hα-helixtrans-85.1-40.2-176.2-63.5145.7000113.3T106 P145 S147 P148 Y153T106-H150 HydrophobicContact CG2-CB 3.91Å; P145-H150 HydrophobicContact CB-CB 3.9Å; S147-H150 PolarHBondContact O-N 3.23Å; S147-H150 PolarHBondContact OG-ND1 3.29Å; P148-H150 PolarHBondContact O-N 3.33Å; P148-H150 VanDerWaalsContact O-N 3.16Å; H150-Y153 WeakPolarHBondContact O-CB 3.21Å; H150-Y153 PolarHBondContact O-N 3.06Å
151Y94Very high96Very high2 Ų247.3 Ų47.31%0.00825%0.252CS..Hα-helixtrans-77.2-27.9179.769.5-123.6000112P145 S147 P148 T158 R211 Y214P145-Y151 WeakPolarHBondContact O-CB 3.25Å; S147-Y151 WeakPolarHBondContact O-CD1 3.3Å; S147-Y151 PolarHBondContact O-N 2.72Å; P148-Y151 HydrophobicContact CB-CE1 4.09Å; P148-Y151 HydrophobicContact CB-CE2 4.41Å; P148-Y151 HydrophobicContact CG-CE1 3.99Å; P148-Y151 PolarHBondContact O-N 3.45Å; Y151-T158 WeakPolarHBondContact CA-OG1 3.36Å; Y151-T158 PolarHBondContact O-OG1 2.89Å; Y151-R211 PolarHBondContact OH-NE 3.08Å; Y151-Y214 HydrophobicContact CD1-CD1 4.12Å; Y151-Y214 AromaticContact CD1-CD2 3.94Å; Y151-Y214 HydrophobicContact CD1-CD2 3.94Å; Y151-Y214 AromaticContact CD1-CG 3.71Å; Y151-Y214 HydrophobicContact CD1-CG 3.71Å; Y151-Y214 HydrophobicContact CD2-CG 4.4Å; Y151-Y214 AromaticContact CE1-CD1 3.98Å; Y151-Y214 HydrophobicContact CE1-CD1 3.98Å; Y151-Y214 AromaticContact CE1-CG 3.99Å; Y151-Y214 HydrophobicContact CE1-CG 3.99Å; Y151-Y214 HydrophobicContact CG-CD2 4.15Å; Y151-Y214 AromaticContact CG-CG 3.97Å; Y151-Y214 HydrophobicContact CG-CG 3.97Å
152M94.6Very high96Very high67 Ų6747.2 Ų47.233%0.3325%0.252SS..Hα-helixtrans-80.3-16.9173.6-62.8179.917800112.9P148 N154 P155 P210 R211P148-M152 HydrophobicContact CB-CE 4.23Å; P148-M152 HydrophobicContact CB-SD 4.41Å; P148-M152 WeakPolarHBondContact O-CB 3.29Å; P148-M152 WeakPolarHBondContact O-CG 3.38Å; P148-M152 PolarHBondContact O-N 3.27Å; M152-N154 VanDerWaalsContact C-N 3.27Å; M152-N154 PolarHBondContact O-N 2.7Å; M152-P155 VanDerWaalsContact O-CD 3.31Å; M152-P155 WeakPolarHBondContact O-CD 3.36Å; M152-P155 WeakPolarHBondContact O-CG 3.36Å; M152-P210 HydrophobicContact CE-CB 4.4Å; M152-R211 HydrophobicContact CE-CB 4.29Å; M152-R211 HydrophobicContact CE-CG 3.35Å
153Y95.3Very high96Very high176 Ų17647.6 Ų47.669%0.6926%0.255SS*.Hα-helixtrans-57.7-40.4178.5177.2-99.5000112.5F105 P149 H150F105-Y153 HydrophobicContact CE2-CD1 4.15Å; F105-Y153 HydrophobicContact CE2-CE1 4.35Å; F105-Y153 AromaticContact CZ-CD1 3.8Å; F105-Y153 HydrophobicContact CZ-CD1 3.8Å; F105-Y153 HydrophobicContact CZ-CE1 4.46Å; P149-Y153 WeakPolarHBondContact O-CB 3.25Å; P149-Y153 PolarHBondContact O-N 3.17Å; H150-Y153 WeakPolarHBondContact O-CB 3.21Å; H150-Y153 PolarHBondContact O-N 3.06Å
154N97.2Very high96Very high73 Ų7350.9 Ų50.939%0.3927%0.269SS..SBendtrans-142.285.3173.2-172.3-30000109.7M152 V156 K157 T158M152-N154 VanDerWaalsContact C-N 3.27Å; M152-N154 PolarHBondContact O-N 2.7Å; N154-V156 VanDerWaalsContact C-N 3.28Å; N154-V156 PolarHBondContact O-N 2.76Å; N154-K157 HydrophobicContact CB-CB 3.96Å; N154-K157 VanDerWaalsContact CG-CB 3.44Å; N154-K157 PolarHBondContact O-N 2.86Å; N154-K157 VanDerWaalsContact O-N 3.08Å; N154-K157 WeakPolarHBondContact OD1-CB 3.32Å; N154-K157 PolarHBondContact OD1-N 3.45Å; N154-T158 PolarHBondContact O-N 3.32Å; N154-T158 PolarHBondContact O-OG1 2.98Å
155P97.3Very high96.1Very high57 Ų5749.9 Ų49.937%0.3726%0.262SS..Hα-helixtrans-58.2-38.7-174-26.836.9000112.8M152 K157 T158 I159 C213M152-P155 VanDerWaalsContact O-CD 3.31Å; M152-P155 WeakPolarHBondContact O-CD 3.36Å; M152-P155 WeakPolarHBondContact O-CG 3.36Å; P155-K157 PolarHBondContact O-N 3.24Å; P155-T158 WeakPolarHBondContact O-CB 3.29Å; P155-T158 PolarHBondContact O-N 3.46Å; P155-I159 WeakPolarHBondContact O-CG1 3.44Å; P155-I159 PolarHBondContact O-N 2.94Å; P155-C213 HydrophobicContact CB-CB 3.65Å; P155-C213 WeakPolarHBondContact O-CB 3.47Å
156V97.9Very high96.3Very high90 Ų9049.5 Ų49.555%0.54526%0.259SS..Hα-helixtrans-63-44.1177.7177.30000111N154 K160N154-V156 VanDerWaalsContact C-N 3.28Å; N154-V156 PolarHBondContact O-N 2.76Å; V156-K160 HydrophobicContact CG1-CD 4.36Å; V156-K160 WeakPolarHBondContact O-CG 3.47Å; V156-K160 PolarHBondContact O-N 3Å
157K97.9Very high96.5Very high58 Ų5850.2 Ų50.225%0.25226%0.256SS..Hα-helixtrans-67.5-38.4177.2179.962.8-168.7-176.10111.5D127 V129 N154 P155 K160 T161D127-K157 IonicContact OD1-NZ 2.75Å; D127-K157 PolarHBondContact OD1-NZ 3.39Å; D127-K157 WeakPolarHBondContact OD2-CE 3.38Å; D127-K157 IonicContact OD2-NZ 3.98Å; D127-K157 PolarHBondContact OD2-NZ 3.34Å; V129-K157 VanDerWaalsContact CG2-NZ 3.31Å; N154-K157 HydrophobicContact CB-CB 3.96Å; N154-K157 VanDerWaalsContact CG-CB 3.44Å; N154-K157 PolarHBondContact O-N 2.86Å; N154-K157 VanDerWaalsContact O-N 3.08Å; N154-K157 WeakPolarHBondContact OD1-CB 3.32Å; N154-K157 PolarHBondContact OD1-N 3.45Å; P155-K157 PolarHBondContact O-N 3.24Å; K157-K160 PolarHBondContact O-N 2.94Å; K157-T161 WeakPolarHBondContact O-CB 3.29Å; K157-T161 PolarHBondContact O-N 2.99Å; K157-T161 PolarHBondContact O-OG1 3.01Å
158T98.3Very high96.8Very high3 Ų351.3 Ų51.32%0.01826%0.262CS..Hα-helixtrans-58.6-51.6174.5-63.10000111.1P145 Y151 N154 P155 K160 T161 N162 Y214P145-T158 HydrophobicContact CG-CG2 4.42Å; Y151-T158 WeakPolarHBondContact CA-OG1 3.36Å; Y151-T158 PolarHBondContact O-OG1 2.89Å; N154-T158 PolarHBondContact O-N 3.32Å; N154-T158 PolarHBondContact O-OG1 2.98Å; P155-T158 WeakPolarHBondContact O-CB 3.29Å; P155-T158 PolarHBondContact O-N 3.46Å; T158-K160 PolarHBondContact O-N 3.3Å; T158-T161 WeakPolarHBondContact O-CB 3.44Å; T158-T161 PolarHBondContact O-N 3.37Å; T158-T161 VanDerWaalsContact O-N 3.14Å; T158-N162 PolarHBondContact O-N 3Å; T158-N162 PolarHBondContact O-ND2 3.35Å; T158-Y214 HydrophobicContact CG2-CD2 4.25Å
159I97.6Very high97.2Very high73 Ų7349.8 Ų49.837%0.37425%0.252SS..Hα-helixtrans-57.2-50.5176.7-69.1169.5000110P155 T161 N162 T163 C213P155-I159 WeakPolarHBondContact O-CG1 3.44Å; P155-I159 PolarHBondContact O-N 2.94Å; I159-T161 VanDerWaalsContact C-N 3.26Å; I159-T161 PolarHBondContact O-N 2.87Å; I159-N162 PolarHBondContact O-N 3.02Å; I159-N162 VanDerWaalsContact O-N 3.16Å; I159-T163 HydrophobicContact CG2-CG2 4.06Å; I159-T163 WeakPolarHBondContact O-CB 3.22Å; I159-T163 WeakPolarHBondContact O-CG2 3.27Å; I159-T163 PolarHBondContact O-N 3.25Å; I159-T163 PolarHBondContact O-OG1 3.42Å; I159-C213 HydrophobicContact CD1-CB 3.85Å; I159-C213 VanDerWaalsContact CG1-CA 3.42Å; I159-C213 HydrophobicContact CG1-CB 3.64Å; I159-C213 VanDerWaalsContact CG1-O 3.29Å; I159-C213 WeakPolarHBondContact CG1-O 3.24Å
160K98.1Very high97.5Very high107 Ų10746.4 Ų46.447%0.46523%0.23SC..Hα-helixtrans-57.6-39178.6-75.5180178-177.60112.5V129 V156 K157 T158 T163 M164 G165V129-K160 HydrophobicContact CG1-CB 4.45Å; V129-K160 HydrophobicContact CG2-CB 4.17Å; V156-K160 HydrophobicContact CG1-CD 4.36Å; V156-K160 WeakPolarHBondContact O-CG 3.47Å; V156-K160 PolarHBondContact O-N 3Å; K157-K160 PolarHBondContact O-N 2.94Å; T158-K160 PolarHBondContact O-N 3.3Å; K160-T163 PolarHBondContact O-N 3.45Å; K160-M164 WeakPolarHBondContact O-CA 3.38Å; K160-M164 VanDerWaalsContact O-CB 3.25Å; K160-M164 WeakPolarHBondContact O-CB 3.26Å; K160-M164 PolarHBondContact O-N 3.29Å; K160-G165 PolarHBondContact O-N 2.79Å
161T98.5Very high97.8Very high11 Ų1145.3 Ų45.37%0.06723%0.233CC..Hα-helixtrans-64.6-44.9178.7-570000110.8I128 A143 K157 T158 I159 G165I128-T161 HydrophobicContact CG2-CG2 3.79Å; A143-T161 WeakPolarHBondContact O-CG2 3.45Å; K157-T161 WeakPolarHBondContact O-CB 3.29Å; K157-T161 PolarHBondContact O-N 2.99Å; K157-T161 PolarHBondContact O-OG1 3.01Å; T158-T161 WeakPolarHBondContact O-CB 3.44Å; T158-T161 PolarHBondContact O-N 3.37Å; T158-T161 VanDerWaalsContact O-N 3.14Å; I159-T161 VanDerWaalsContact C-N 3.26Å; I159-T161 PolarHBondContact O-N 2.87Å; T161-G165 WeakPolarHBondContact O-CA 3.38Å; T161-G165 PolarHBondContact O-N 3.49Å
162N98.6Very high98Very high3 Ų345.4 Ų45.42%0.01623%0.234CC..Hα-helixtrans-73.4-29.1178.1-67.8-39.1000113.2S144 T158 I159 T166 G217S144-N162 VanDerWaalsContact CB-OD1 3.26Å; S144-N162 WeakPolarHBondContact CB-OD1 3.41Å; S144-N162 PolarHBondContact OG-ND2 3.38Å; S144-N162 PolarHBondContact OG-OD1 3.18Å; T158-N162 PolarHBondContact O-N 3Å; T158-N162 PolarHBondContact O-ND2 3.35Å; I159-N162 PolarHBondContact O-N 3.02Å; I159-N162 VanDerWaalsContact O-N 3.16Å; N162-T166 VanDerWaalsContact O-CB 3.23Å; N162-T166 WeakPolarHBondContact O-CB 3.39Å; N162-T166 PolarHBondContact O-OG1 3.09Å; N162-G217 WeakPolarHBondContact CB-O 3.46Å
163T98.3Very high98.2Very high28 Ų2842.2 Ų42.217%0.17222%0.218CC..Hα-helixtrans-92.7-69.8-179.358.10000112.1I159 K160 G165 T166 I167 V220I159-T163 HydrophobicContact CG2-CG2 4.06Å; I159-T163 WeakPolarHBondContact O-CB 3.22Å; I159-T163 WeakPolarHBondContact O-CG2 3.27Å; I159-T163 PolarHBondContact O-N 3.25Å; I159-T163 PolarHBondContact O-OG1 3.42Å; K160-T163 PolarHBondContact O-N 3.45Å; T163-G165 VanDerWaalsContact C-N 3.28Å; T163-G165 PolarHBondContact O-N 2.88Å; T163-T166 PolarHBondContact O-N 2.7Å; T163-I167 WeakPolarHBondContact O-CG1 3.43Å; T163-I167 PolarHBondContact O-N 3.13Å; T163-V220 HydrophobicContact CG2-CB 4.25Å; T163-V220 HydrophobicContact CG2-CG1 3.83Å
164M98.6Very high98.3Very high84 Ų8439.9 Ų39.941%0.41421%0.208SC..Hα-helixtrans-61.6-37.7-179.6-59.4-60.3-62.200111.7V129 K160 I167 N168V129-M164 HydrophobicContact CG1-CB 4.03Å; K160-M164 WeakPolarHBondContact O-CA 3.38Å; K160-M164 VanDerWaalsContact O-CB 3.25Å; K160-M164 WeakPolarHBondContact O-CB 3.26Å; K160-M164 PolarHBondContact O-N 3.29Å; M164-I167 PolarHBondContact O-N 3.05Å; M164-I167 HydrophobicContact SD-CD1 4.28Å; M164-N168 VanDerWaalsContact O-CG 3.29Å; M164-N168 PolarHBondContact O-N 2.85Å; M164-N168 PolarHBondContact O-ND2 3.49Å
165G98.7Very high98.4Very high0 Ų041.5 Ų41.50%021%0.209CC..Hα-helixtrans-61.4-45.1175.200000112.9I128 K160 T161 T163 N168 V169I128-G165 WeakPolarHBondContact O-CA 3.23Å; K160-G165 PolarHBondContact O-N 2.79Å; T161-G165 WeakPolarHBondContact O-CA 3.38Å; T161-G165 PolarHBondContact O-N 3.49Å; T163-G165 VanDerWaalsContact C-N 3.28Å; T163-G165 PolarHBondContact O-N 2.88Å; G165-N168 PolarHBondContact O-N 3.05Å; G165-V169 WeakPolarHBondContact O-CG2 3.48Å; G165-V169 PolarHBondContact O-N 3.26Å
166T98.8Very high98.4Very high1 Ų140 Ų401%0.00620%0.198CC..Hα-helixtrans-65.9-38.7175.1-680000111.9H141 N162 T163 V169 L170 A221 L224H141-T166 PolarHBondContact CD2-OG1 3.15Å; H141-T166 PolarHBondContact NE2-N 2.88Å; H141-T166 PolarHBondContact NE2-OG1 2.83Å; N162-T166 VanDerWaalsContact O-CB 3.23Å; N162-T166 WeakPolarHBondContact O-CB 3.39Å; N162-T166 PolarHBondContact O-OG1 3.09Å; T163-T166 PolarHBondContact O-N 2.7Å; T166-V169 PolarHBondContact O-N 3.05Å; T166-L170 HydrophobicContact CG2-CD1 3.61Å; T166-L170 HydrophobicContact CG2-CG 4.23Å; T166-L170 WeakPolarHBondContact O-CB 3.2Å; T166-L170 WeakPolarHBondContact O-CG 3.42Å; T166-L170 PolarHBondContact O-N 3.01Å; T166-A221 HydrophobicContact CG2-CB 4.14Å; T166-L224 HydrophobicContact CG2-CB 4.14Å; T166-L224 HydrophobicContact CG2-CD1 4.12Å
167I98.7Very high98.4Very high61 Ų6144.8 Ų44.831%0.31321%0.212SC..Hα-helixtrans-59.6-47.9174.2-68.7167.7000111.3T163 M164 V169 L170 G171 L224T163-I167 WeakPolarHBondContact O-CG1 3.43Å; T163-I167 PolarHBondContact O-N 3.13Å; M164-I167 PolarHBondContact O-N 3.05Å; M164-I167 HydrophobicContact SD-CD1 4.28Å; I167-V169 VanDerWaalsContact C-N 3.32Å; I167-V169 PolarHBondContact O-N 3.35Å; I167-L170 PolarHBondContact O-N 2.93Å; I167-G171 PolarHBondContact O-N 2.88Å; I167-L224 HydrophobicContact CD1-CD1 4.42Å; I167-L224 HydrophobicContact CG1-CD1 3.82Å; I167-L224 HydrophobicContact CG1-CD2 4.29Å
168N98.8Very high98.5Very high26 Ų2642.1 Ų42.114%0.13920%0.2CC..Hα-helixtrans-61.5-41.5179.3-70.4-30.3000111.7I128 V129 N130 M164 G165 L172I128-N168 PolarHBondContact O-ND2 2.79Å; V129-N168 PolarHBondContact O-ND2 2.88Å; N130-N168 VanDerWaalsContact C-ND2 3.26Å; N130-N168 PolarHBondContact O-ND2 3.41Å; M164-N168 VanDerWaalsContact O-CG 3.29Å; M164-N168 PolarHBondContact O-N 2.85Å; M164-N168 PolarHBondContact O-ND2 3.49Å; G165-N168 PolarHBondContact O-N 3.05Å; N168-L172 WeakPolarHBondContact O-CB 3.41Å; N168-L172 PolarHBondContact O-N 3.39Å
169V98.7Very high98.5Very high1 Ų143.3 Ų43.31%0.00620%0.204CC..Hα-helixtrans-67.8-41.5177.9167.20000112.1T77 I128 I139 H141 G165 T166 I167 L172 A173 V180T77-V169 HydrophobicContact CG2-CG2 4.2Å; I128-V169 HydrophobicContact CD1-CG2 3.65Å; I128-V169 HydrophobicContact CG1-CG2 3.93Å; I139-V169 HydrophobicContact CD1-CG1 4.28Å; I139-V169 HydrophobicContact CG2-CG1 3.76Å; H141-V169 HydrophobicContact CB-CG1 4.13Å; G165-V169 WeakPolarHBondContact O-CG2 3.48Å; G165-V169 PolarHBondContact O-N 3.26Å; T166-V169 PolarHBondContact O-N 3.05Å; I167-V169 VanDerWaalsContact C-N 3.32Å; I167-V169 PolarHBondContact O-N 3.35Å; V169-L172 WeakPolarHBondContact O-CB 3.49Å; V169-L172 PolarHBondContact O-N 3.15Å; V169-A173 WeakPolarHBondContact O-CB 3.31Å; V169-A173 PolarHBondContact O-N 2.94Å; V169-V180 HydrophobicContact CG1-CG2 3.72Å
170L98.7Very high98.6Very high0 Ų039.8 Ų39.80%019%0.187CC..Hα-helixtrans-66.6-39.7176.8-77.6168000111.9T166 I167 L172 A173 R174 V180 L224 M225 Y228 V234T166-L170 HydrophobicContact CG2-CD1 3.61Å; T166-L170 HydrophobicContact CG2-CG 4.23Å; T166-L170 WeakPolarHBondContact O-CB 3.2Å; T166-L170 WeakPolarHBondContact O-CG 3.42Å; T166-L170 PolarHBondContact O-N 3.01Å; I167-L170 PolarHBondContact O-N 2.93Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-A173 PolarHBondContact O-N 3.25Å; L170-R174 WeakPolarHBondContact O-CB 3.43Å; L170-R174 PolarHBondContact O-N 3.05Å; L170-V180 HydrophobicContact CD2-CG1 4.21Å; L170-L224 HydrophobicContact CD1-CB 3.77Å; L170-M225 HydrophobicContact CD1-SD 4.28Å; L170-M225 HydrophobicContact CD2-SD 3.6Å; L170-M225 HydrophobicContact CG-SD 4.12Å; L170-Y228 HydrophobicContact CB-CD1 3.89Å; L170-Y228 HydrophobicContact CB-CD2 4.04Å; L170-Y228 HydrophobicContact CB-CE1 3.83Å; L170-Y228 HydrophobicContact CB-CE2 3.98Å; L170-Y228 HydrophobicContact CB-CG 3.96Å; L170-Y228 HydrophobicContact CD1-CD2 3.6Å; L170-Y228 HydrophobicContact CD1-CE2 3.95Å; L170-Y228 HydrophobicContact CD1-CG 4.03Å; L170-Y228 HydrophobicContact CD2-CD1 4.47Å; L170-Y228 HydrophobicContact CD2-CD2 4.48Å; L170-Y228 HydrophobicContact CD2-CG 4.06Å; L170-Y228 HydrophobicContact CG-CD2 4.26Å; L170-Y228 HydrophobicContact CG-CG 4.26Å; L170-V234 HydrophobicContact CD2-CG1 4.28Å
171G98.3Very high98.6Very high31 Ų3134.7 Ų34.732%0.3216%0.164SC..Hα-helixtrans-61.3-42.1172.200000112.4I167 R175I167-G171 PolarHBondContact O-N 2.88Å; G171-R175 WeakPolarHBondContact O-CB 3.36Å; G171-R175 PolarHBondContact O-N 3.29Å; G171-R175 VanDerWaalsContact O-N 3.08Å
172L98.7Very high98.6Very high4 Ų434.2 Ų34.22%0.02116%0.162CC..Hα-helixtrans-61.2-50.7172.8175.461.8000111.5L75 I132 L134 V136 I139 N168 V169 L170 R174 R175 T176L75-L172 HydrophobicContact CD2-CD2 3.69Å; I132-L172 HydrophobicContact CG2-CD2 4.31Å; L134-L172 VanDerWaalsContact O-CD1 3.29Å; L134-L172 WeakPolarHBondContact O-CD1 3.4Å; V136-L172 HydrophobicContact CG2-CD1 4.41Å; V136-L172 HydrophobicContact CG2-CD2 4.16Å; V136-L172 HydrophobicContact CG2-CG 4.16Å; I139-L172 HydrophobicContact CD1-CB 4.45Å; I139-L172 HydrophobicContact CD1-CD2 3.93Å; I139-L172 HydrophobicContact CD1-CG 3.97Å; N168-L172 WeakPolarHBondContact O-CB 3.41Å; N168-L172 PolarHBondContact O-N 3.39Å; V169-L172 WeakPolarHBondContact O-CB 3.49Å; V169-L172 PolarHBondContact O-N 3.15Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L172-R174 VanDerWaalsContact C-N 3.33Å; L172-R174 PolarHBondContact O-N 2.95Å; L172-R175 PolarHBondContact O-N 3.37Å; L172-R175 VanDerWaalsContact O-N 3.16Å; L172-T176 HydrophobicContact CD1-CG2 3.92Å; L172-T176 PolarHBondContact O-N 3.46Å; L172-T176 PolarHBondContact O-OG1 3.42Å
173A98.7Very high98.6Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-57.9-44.8-179.500000111.9I139 V169 L170 K177 A178 V180 V234I139-A173 HydrophobicContact CD1-CB 3.96Å; V169-A173 WeakPolarHBondContact O-CB 3.31Å; V169-A173 PolarHBondContact O-N 2.94Å; L170-A173 PolarHBondContact O-N 3.25Å; A173-K177 CarbonylContact O-C 3.16Å; A173-K177 VanDerWaalsContact O-CA 3.23Å; A173-K177 WeakPolarHBondContact O-CA 3.33Å; A173-K177 PolarHBondContact O-N 3.02Å; A173-A178 PolarHBondContact O-N 3.4Å; A173-V180 HydrophobicContact CB-CB 4.03Å; A173-V180 HydrophobicContact CB-CG1 3.81Å; A173-V234 HydrophobicContact CB-CG1 4.01Å
174R98.4Very high98.6Very high127 Ų12733.2 Ų33.248%0.47916%0.156SC..Hα-helixtrans-59.3-48.3175-179.3-176.8173.6179.92.8111.6L170 L172 T176 K177 E232 V234L170-R174 WeakPolarHBondContact O-CB 3.43Å; L170-R174 PolarHBondContact O-N 3.05Å; L172-R174 VanDerWaalsContact C-N 3.33Å; L172-R174 PolarHBondContact O-N 2.95Å; R174-T176 PolarHBondContact O-N 3.26Å; R174-K177 PolarHBondContact O-N 2.95Å; R174-E232 IonicContact CZ-OE1 2.62Å; R174-E232 IonicContact CZ-OE2 2.89Å; R174-E232 IonicContact NE-OE2 3.84Å; R174-E232 PolarHBondContact NE-OE2 3.32Å; R174-E232 VanDerWaalsContact NH1-CD 3.33Å; R174-E232 IonicContact NH1-OE1 2.67Å; R174-E232 PolarHBondContact NH1-OE1 3.23Å; R174-E232 VanDerWaalsContact NH1-OE1 3.14Å; R174-E232 IonicContact NH1-OE2 2.81Å; R174-E232 IonicContact NH2-OE1 3.72Å; R174-E232 PolarHBondContact NH2-OE1 2.73Å; R174-E232 IonicContact NH2-OE2 3.76Å; R174-E232 PolarHBondContact NH2-OE2 2.96Å; R174-V234 HydrophobicContact CB-CG2 3.92Å; R174-V234 HydrophobicContact CG-CG2 4.41Å
175R98Very high98.6Very high107 Ų10729.8 Ų29.840%0.40414%0.14SC..Hα-helixtrans-63.7-42-176.9-175.7-178.362774.7112.2L134 E135 G171 L172L134-R175 PolarHBondContact O-NH2 3.14Å; E135-R175 IonicContact OE1-CZ 3.96Å; E135-R175 IonicContact OE1-NH1 3.03Å; E135-R175 PolarHBondContact OE1-NH1 2.96Å; E135-R175 IonicContact OE1-NH2 2.62Å; G171-R175 WeakPolarHBondContact O-CB 3.36Å; G171-R175 PolarHBondContact O-N 3.29Å; G171-R175 VanDerWaalsContact O-N 3.08Å; L172-R175 PolarHBondContact O-N 3.37Å; L172-R175 VanDerWaalsContact O-N 3.16Å
176T98.4Very high98.5Very high25 Ų2529.9 Ų29.915%0.15314%0.14CC..Hα-helixtrans-93.4-2.3-177.466.50000113.4L134 V136 L172 R174 A178L134-T176 VanDerWaalsContact O-CG2 3.27Å; L134-T176 WeakPolarHBondContact O-CG2 3.33Å; V136-T176 HydrophobicContact CG2-CG2 4.4Å; V136-T176 WeakPolarHBondContact O-CB 3.46Å; V136-T176 PolarHBondContact O-OG1 3.49Å; V136-T176 VanDerWaalsContact O-OG1 3.13Å; L172-T176 HydrophobicContact CD1-CG2 3.92Å; L172-T176 PolarHBondContact O-N 3.46Å; L172-T176 PolarHBondContact O-OG1 3.42Å; R174-T176 PolarHBondContact O-N 3.26Å; T176-A178 PolarHBondContact O-N 3.08Å; T176-A178 WeakPolarHBondContact OG1-CB 3.47Å; T176-A178 PolarHBondContact OG1-N 3.01Å
177K98.4Very high98.4Very high191 Ų19130.8 Ų30.883%0.8315%0.145SC*.THydrogen-bonded Turntrans55.831.8-170.9-53.6178.8179.3-179.30112.6A173 R174A173-K177 CarbonylContact O-C 3.16Å; A173-K177 VanDerWaalsContact O-CA 3.23Å; A173-K177 WeakPolarHBondContact O-CA 3.33Å; A173-K177 PolarHBondContact O-N 3.02Å; R174-K177 PolarHBondContact O-N 2.95Å
178A98.7Very high98.4Very high1 Ų128.1 Ų28.11%0.00813%0.131CC..  trans-74.7144.8176.900000111.1V136 D137 I139 A173 T176V136-A178 HydrophobicContact CG2-CB 4.1Å; V136-A178 WeakPolarHBondContact O-CB 3.31Å; D137-A178 WeakPolarHBondContact O-CA 3.34Å; I139-A178 HydrophobicContact CD1-CB 4.17Å; I139-A178 HydrophobicContact CG1-CB 4.13Å; A173-A178 PolarHBondContact O-N 3.4Å; T176-A178 PolarHBondContact O-N 3.08Å; T176-A178 WeakPolarHBondContact OG1-CB 3.47Å; T176-A178 PolarHBondContact OG1-N 3.01Å
179R98.8Very high98.3Very high28 Ų2826.9 Ų26.911%0.10613%0.125CC..EExtended strand (participates in β ladder)trans-75.1134.4162.8179.6-178.1-63.6179.7-6.8109.2D137 R138 I139 D235 R237 M296 S298D137-R179 PolarHBondContact O-N 3.48Å; R138-R179 CarbonylContact C-O 3.56Å; R138-R179 VanDerWaalsContact CA-O 3.32Å; R138-R179 WeakPolarHBondContact CA-O 3.47Å; I139-R179 PolarHBondContact N-O 2.82Å; R179-D235 CarbonylContact C-O 3.52Å; R179-D235 VanDerWaalsContact CA-O 3.29Å; R179-D235 WeakPolarHBondContact CA-O 3.48Å; R179-D235 HydrophobicContact CB-CB 4.18Å; R179-D235 HydrophobicContact CG-CB 4.27Å; R179-D235 IonicContact CZ-OD2 2.81Å; R179-D235 VanDerWaalsContact CZ-OD2 3.24Å; R179-D235 VanDerWaalsContact NE-CG 3.34Å; R179-D235 IonicContact NE-OD1 3.98Å; R179-D235 PolarHBondContact NE-OD1 3.16Å; R179-D235 IonicContact NE-OD2 2.88Å; R179-D235 PolarHBondContact NE-OD2 3.44Å; R179-D235 IonicContact NH2-OD2 3.89Å; R179-D235 PolarHBondContact NH2-OD2 3.17Å; R179-R237 HydrophobicContact CG-CG 4.48Å; R179-M296 HydrophobicContact CB-SD 4.36Å; R179-M296 WeakPolarHBondContact CD-O 3.48Å; R179-M296 HydrophobicContact CG-SD 3.75Å; R179-M296 PolarHBondContact NH1-O 2.84Å; R179-S298 PolarHBondContact NH1-O 2.9Å
180V98.9Very high98.1Very high0 Ų027.1 Ų27.10%013%0.127CC..EExtended strand (participates in β ladder)trans-123.7129.9-176.452.30000111.4I139 V169 L170 A173 M225 V234 D235 I236 R237I139-V180 HydrophobicContact CB-CB 4.18Å; I139-V180 HydrophobicContact CB-CG2 4.08Å; I139-V180 HydrophobicContact CG2-CG2 4.29Å; I139-V180 CarbonylContact O-C 3.43Å; I139-V180 WeakPolarHBondContact O-CA 3.15Å; V169-V180 HydrophobicContact CG1-CG2 3.72Å; L170-V180 HydrophobicContact CD2-CG1 4.21Å; A173-V180 HydrophobicContact CB-CB 4.03Å; A173-V180 HydrophobicContact CB-CG1 3.81Å; V180-M225 HydrophobicContact CG1-CE 4Å; V180-M225 HydrophobicContact CG1-SD 4.46Å; V180-M225 HydrophobicContact CG2-CE 4.17Å; V180-M225 HydrophobicContact CG2-SD 4.43Å; V180-M225 WeakPolarHBondContact O-CE 3.44Å; V180-V234 HydrophobicContact CG1-CG1 3.8Å; V180-D235 PolarHBondContact N-O 3.45Å; V180-I236 HydrophobicContact CG1-CG2 4.13Å; V180-I236 CarbonylContact O-C 3.45Å; V180-I236 WeakPolarHBondContact O-CA 3.48Å; V180-R237 PolarHBondContact O-N 3.29Å
181L98.9Very high97.7Very high0 Ų028.8 Ų28.80%014%0.136CC..EExtended strand (participates in β ladder)trans-106.8123.9171.9-174153.3000109.8I139 Y140 H141 R237 A239 L292 L295 M296I139-L181 PolarHBondContact O-N 2.99Å; Y140-L181 HydrophobicContact CD1-CB 4.16Å; Y140-L181 HydrophobicContact CD1-CD1 4.27Å; Y140-L181 HydrophobicContact CD1-CD2 4.19Å; Y140-L181 HydrophobicContact CD1-CG 4.45Å; Y140-L181 HydrophobicContact CE1-CD1 4.1Å; H141-L181 PolarHBondContact N-O 3.42Å; L181-R237 CarbonylContact C-O 3.54Å; L181-R237 VanDerWaalsContact CA-O 3.31Å; L181-R237 WeakPolarHBondContact CA-O 3.5Å; L181-R237 HydrophobicContact CB-CB 3.85Å; L181-R237 HydrophobicContact CD1-CB 3.94Å; L181-R237 HydrophobicContact CG-CB 3.78Å; L181-A239 HydrophobicContact CD2-CB 4.15Å; L181-L292 HydrophobicContact CD1-CD2 4.38Å; L181-L292 WeakPolarHBondContact CD1-O 3.5Å; L181-L292 HydrophobicContact CD2-CD2 3.83Å; L181-L295 HydrophobicContact CD1-CB 4.17Å; L181-L295 HydrophobicContact CD1-CD2 3.98Å; L181-L295 HydrophobicContact CD1-CG 4.1Å; L181-M296 HydrophobicContact CB-CE 3.41Å; L181-M296 VanDerWaalsContact CB-CE 3.41Å; L181-M296 HydrophobicContact CB-SD 4.29Å; L181-M296 HydrophobicContact CD1-CB 4.23Å; L181-M296 HydrophobicContact CD1-CE 4.48Å
182L98.9Very high97.5Very high1 Ų127.4 Ų27.41%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-87.7123.3169.1175.667.1000109.5S184 A221 E222 M225 R237 A239L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 2.9Å; L182-A221 HydrophobicContact CD1-CB 4.15Å; L182-A221 HydrophobicContact CD2-CB 3.72Å; L182-E222 HydrophobicContact CD2-CG 4.09Å; L182-M225 HydrophobicContact CB-CE 3.78Å; L182-M225 HydrophobicContact CB-CG 3.98Å; L182-M225 HydrophobicContact CB-SD 3.97Å; L182-M225 HydrophobicContact CD2-CG 3.8Å; L182-M225 HydrophobicContact CG-CG 4.46Å; L182-R237 PolarHBondContact N-O 3.3Å; L182-A239 PolarHBondContact O-N 2.96Å
183A98.8Very high97.2Very high7 Ų732.1 Ų32.16%0.05815%0.151CC..EExtended strand (participates in β ladder)trans-77.485.7163.700000108.8H141 L142 K218 I241H141-A183 WeakPolarHBondContact O-CB 3.38Å; H141-A183 PolarHBondContact O-N 2.96Å; L142-A183 HydrophobicContact CB-CB 4.28Å; L142-A183 HydrophobicContact CD1-CB 4.02Å; L142-A183 HydrophobicContact CG-CB 3.74Å; A183-K218 PolarHBondContact O-NZ 3.34Å; A183-I241 HydrophobicContact CB-CD1 3.84Å
184S98.6Very high97.1Very high3 Ų336.6 Ų36.62%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-77.3-166.1167.3-164.60000109.6L182 E222 A239 I241L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 2.9Å; S184-E222 VanDerWaalsContact CB-OE1 3.22Å; S184-E222 WeakPolarHBondContact CB-OE1 3.26Å; S184-E222 PolarHBondContact OG-OE1 3.23Å; S184-A239 CarbonylContact C-O 3.12Å; S184-A239 WeakPolarHBondContact CA-O 3.4Å; S184-A239 VanDerWaalsContact CB-O 3.27Å; S184-A239 WeakPolarHBondContact CB-O 3.22Å; S184-A239 PolarHBondContact N-O 3.32Å; S184-I241 PolarHBondContact O-N 2.99Å
185T98.1Very high96.8Very high12 Ų1233.9 Ų33.97%0.07416%0.164CC..EExtended strand (participates in β ladder)trans-152.6156.6-165.7-167.50000110.2E187 V188 Y214 K218 I241T185-E187 HydrophobicContact CG2-CB 3.64Å; T185-E187 HydrophobicContact CG2-CG 4.13Å; T185-E187 PolarHBondContact O-N 3.14Å; T185-V188 HydrophobicContact CG2-CG1 4.09Å; T185-V188 VanDerWaalsContact O-CG2 3.27Å; T185-V188 WeakPolarHBondContact O-CG2 3.43Å; T185-V188 PolarHBondContact O-N 3.36Å; T185-Y214 HydrophobicContact CG2-CE1 3.72Å; T185-Y214 PolarHBondContact OG1-OH 3.01Å; T185-K218 HydrophobicContact CG2-CB 3.83Å; T185-K218 HydrophobicContact CG2-CD 4.32Å; T185-K218 HydrophobicContact CG2-CG 3.64Å; T185-I241 CarbonylContact C-O 3.54Å; T185-I241 WeakPolarHBondContact CA-O 3.12Å
186S96.8Very high96.7Very high1 Ų131.3 Ų31.31%0.00716%0.161CC..G310 helixtrans-65.6-16.4169.557.30000113.7V188 Y189 I241 R339S186-V188 PolarHBondContact O-N 3.03Å; S186-Y189 WeakPolarHBondContact O-CB 3.44Å; S186-Y189 WeakPolarHBondContact O-CD2 3.45Å; S186-Y189 PolarHBondContact O-N 3.08Å; S186-Y189 VanDerWaalsContact O-N 3.07Å; S186-I241 PolarHBondContact N-O 3.31Å; S186-R339 PolarHBondContact O-NH1 2.96Å; S186-R339 VanDerWaalsContact O-NH1 3.14Å
187E96.1Very high96.7Very high21 Ų2130.1 Ų30.110%0.09815%0.154CC..G310 helixtrans-63.1-18.6177-54.8-57.3134.900113.6T185 Y189 G190 R211 Y214 D215 R339T185-E187 HydrophobicContact CG2-CB 3.64Å; T185-E187 HydrophobicContact CG2-CG 4.13Å; T185-E187 PolarHBondContact O-N 3.14Å; E187-Y189 PolarHBondContact O-N 3.09Å; E187-G190 PolarHBondContact O-N 3.48Å; E187-R211 VanDerWaalsContact CD-NH2 3.31Å; E187-R211 IonicContact OE1-NH2 3.65Å; E187-R211 IonicContact OE2-CZ 3.23Å; E187-R211 IonicContact OE2-NE 2.75Å; E187-R211 IonicContact OE2-NH2 3.18Å; E187-R211 PolarHBondContact OE2-NH2 3.18Å; E187-Y214 HydrophobicContact CB-CD1 4.09Å; E187-Y214 HydrophobicContact CB-CE1 4Å; E187-Y214 HydrophobicContact CG-CD1 3.95Å; E187-Y214 HydrophobicContact CG-CE1 3.65Å; E187-D215 WeakPolarHBondContact CB-OD1 3.18Å; E187-R339 IonicContact OE1-CZ 3.24Å; E187-R339 IonicContact OE1-NH2 2.88Å; E187-R339 PolarHBondContact OE1-NH2 2.76Å; E187-R339 IonicContact OE2-NH2 2.7Å; E187-R339 PolarHBondContact OE2-NH2 3.5Å
188V97.7Very high96.6Very high4 Ų421.9 Ų21.92%0.02412%0.12CC..G310 helixtrans-60.9-19172.5-56.30000112.8T185 S186 V205 K218 R219 R240T185-V188 HydrophobicContact CG2-CG1 4.09Å; T185-V188 VanDerWaalsContact O-CG2 3.27Å; T185-V188 WeakPolarHBondContact O-CG2 3.43Å; T185-V188 PolarHBondContact O-N 3.36Å; S186-V188 PolarHBondContact O-N 3.03Å; V188-V205 WeakPolarHBondContact O-CG2 3.27Å; V188-K218 HydrophobicContact CG1-CB 3.88Å; V188-R219 HydrophobicContact CB-CG 3.95Å; V188-R219 HydrophobicContact CG1-CG 4.06Å; V188-R219 PolarHBondContact O-NH1 2.94Å; V188-R240 HydrophobicContact CG2-CG 4.31Å
189Y97.2Very high96.6Very high1 Ų122.7 Ų22.70%0.00412%0.124CC..G310 helixtrans-83.8-13.3175.2-57.8-56.7000113.9S186 E187 Q197 S198 E199 Y201 G203 N204 R240 F242 N305S186-Y189 WeakPolarHBondContact O-CB 3.44Å; S186-Y189 WeakPolarHBondContact O-CD2 3.45Å; S186-Y189 PolarHBondContact O-N 3.08Å; S186-Y189 VanDerWaalsContact O-N 3.07Å; E187-Y189 PolarHBondContact O-N 3.09Å; Y189-Q197 HydrophobicContact CD2-CB 3.84Å; Y189-Q197 HydrophobicContact CD2-CG 4.1Å; Y189-Q197 HydrophobicContact CE2-CB 3.97Å; Y189-Q197 HydrophobicContact CG-CB 4.18Å; Y189-Q197 HydrophobicContact CG-CG 4.17Å; Y189-S198 WeakPolarHBondContact CE1-O 3Å; Y189-S198 PolarHBondContact OH-O 3.3Å; Y189-E199 WeakPolarHBondContact OH-CA 3.35Å; Y189-Y201 AromaticContact CD1-CD1 3.64Å; Y189-Y201 HydrophobicContact CD1-CD1 3.64Å; Y189-Y201 HydrophobicContact CD1-CE1 4.44Å; Y189-Y201 HydrophobicContact CD1-CG 4.42Å; Y189-Y201 HydrophobicContact CE1-CD1 4.42Å; Y189-Y201 HydrophobicContact CG-CD1 4.22Å; Y189-G203 WeakPolarHBondContact O-CA 3.07Å; Y189-N204 PolarHBondContact O-N 3.11Å; Y189-R240 VanDerWaalsContact CE1-NH1 3.31Å; Y189-R240 WeakPolarHBondContact OH-CD 3.45Å; Y189-R240 PolarHBondContact OH-NH1 3.12Å; Y189-F242 HydrophobicContact CD2-CZ 4.13Å; Y189-F242 HydrophobicContact CE2-CE2 4.01Å; Y189-F242 AromaticContact CE2-CZ 3.74Å; Y189-F242 HydrophobicContact CE2-CZ 3.74Å; Y189-N305 PolarHBondContact OH-ND2 2.75Å; Y189-N305 PolarHBondContact OH-OD1 2.94Å
190G94.6Very high96.5Very high5 Ų525.5 Ų25.55%0.05215%0.148CC..BIsolated β-bridgetrans66.2-143.7-178.900000113.9E187 P192 N204 R339E187-G190 PolarHBondContact O-N 3.48Å; G190-P192 VanDerWaalsContact O-CD 3.26Å; G190-P192 WeakPolarHBondContact O-CD 3.43Å; G190-N204 WeakPolarHBondContact CA-O 3.33Å; G190-R339 PolarHBondContact O-NH1 2.68Å
191D91.6Very high96.5Very high36 Ų3626.2 Ų26.219%0.19315%0.151CC..SBendtrans-85.996.8164-176.937.7000108.4N204 P336 R337D191-N204 PolarHBondContact N-O 3.41Å; D191-N204 WeakPolarHBondContact O-CB 3.14Å; D191-N204 PolarHBondContact O-ND2 3.29Å; D191-P336 WeakPolarHBondContact OD1-CA 3.37Å; D191-R337 PolarHBondContact OD1-N 2.79Å; D191-R337 IonicContact OD1-NE 3.17Å; D191-R337 IonicContact OD2-CZ 2.84Å; D191-R337 IonicContact OD2-NE 3.42Å; D191-R337 PolarHBondContact OD2-NE 3.38Å; D191-R337 IonicContact OD2-NH2 3.72Å; D191-R337 PolarHBondContact OD2-NH2 3.07Å
192P92.8Very high96.3Very high2 Ų237.1 Ų37.11%0.01319%0.192CC..  trans-72.1137.5-162.631.3-35.7000111.9G190 Q197 Y201 Q338G190-P192 VanDerWaalsContact O-CD 3.26Å; G190-P192 WeakPolarHBondContact O-CD 3.43Å; P192-Q197 HydrophobicContact CB-CG 3.83Å; P192-Q197 HydrophobicContact CG-CG 4.1Å; P192-Y201 HydrophobicContact CB-CE1 3.78Å; P192-Q338 HydrophobicContact CG-CG 4.37Å
193T94Very high96.1Very high103 Ų10338 Ų3863%0.63220%0.201SC*.SBendtrans-89.1-13.9170.357.40000112.5Y201 N204T193-Y201 PolarHBondContact N-OH 3.44Å; T193-Y201 PolarHBondContact OG1-OH 3.06Å; T193-N204 HydrophobicContact CG2-CB 4.35Å
194E94.7Very high96Very high94 Ų9441.5 Ų41.544%0.43922%0.219SC..SBendtrans-111.5138.4176.9-68179.2-149.500111.1Q197 Y201E194-Q197 PolarHBondContact O-NE2 3.21Å; E194-Y201 HydrophobicContact CB-CD2 4.01Å; E194-Y201 HydrophobicContact CB-CE2 4.13Å; E194-Y201 HydrophobicContact CB-CG 4.22Å; E194-Y201 HydrophobicContact CG-CD2 3.85Å; E194-Y201 HydrophobicContact CG-CE2 3.87Å; E194-Y201 VanDerWaalsContact OE1-CD2 3.26Å; E194-Y201 WeakPolarHBondContact OE1-CD2 3.18Å; E194-Y201 WeakPolarHBondContact OE2-CD2 2.82Å
195H93.4Very high95.9Very high69 Ų6942.4 Ų42.432%0.31922%0.224SC..SBendtrans-144.7131.1-177.4-171.3102.6000111.7E311 Q338 R340H195-E311 IonicContact CE1-OE1 2.63Å; H195-E311 PolarHBondContact CE1-OE1 2.7Å; H195-E311 IonicContact CE1-OE2 2.83Å; H195-E311 PolarHBondContact CE1-OE2 2.94Å; H195-E311 IonicContact NE2-OE2 3.08Å; H195-E311 PolarHBondContact NE2-OE2 3.07Å; H195-Q338 PolarHBondContact ND1-OE1 3.21Å; H195-R340 WeakPolarHBondContact CE1-CB 3.3Å; H195-R340 WeakPolarHBondContact NE2-CD 3.38Å
196P96.1Very high95.8Very high53 Ų5344.8 Ų44.834%0.34424%0.236SC..SBendcis-66163-6.130.2-36.3000112.3S198 R340 D342P196-S198 PolarHBondContact O-N 3.37Å; P196-R340 HydrophobicContact CB-CB 4.31Å; P196-R340 HydrophobicContact CB-CG 4.22Å; P196-R340 WeakPolarHBondContact CB-O 3.3Å; P196-D342 HydrophobicContact CB-CB 4.43Å; P196-D342 HydrophobicContact CG-CB 4.26Å
197Q97.3Very high95.8Very high0 Ų048.5 Ų48.50%026%0.261CS..BIsolated β-bridgetrans-77.9108.3-179.8-6877.865.200110.2Y189 P192 E194 F242 N305 R340 D342Y189-Q197 HydrophobicContact CD2-CB 3.84Å; Y189-Q197 HydrophobicContact CD2-CG 4.1Å; Y189-Q197 HydrophobicContact CE2-CB 3.97Å; Y189-Q197 HydrophobicContact CG-CB 4.18Å; Y189-Q197 HydrophobicContact CG-CG 4.17Å; P192-Q197 HydrophobicContact CB-CG 3.83Å; P192-Q197 HydrophobicContact CG-CG 4.1Å; E194-Q197 PolarHBondContact O-NE2 3.21Å; Q197-F242 HydrophobicContact CB-CZ 4.2Å; Q197-N305 PolarHBondContact O-ND2 2.62Å; Q197-R340 PolarHBondContact N-O 2.83Å; Q197-R340 PolarHBondContact OE1-O 3.28Å; Q197-R340 VanDerWaalsContact OE1-O 3.05Å; Q197-D342 PolarHBondContact O-N 3.05Å
198S97.6Very high95.8Very high19 Ų1953.8 Ų53.813%0.13329%0.294CS..  trans-87.3158.3173.168.80000111.9Y189 P196 S200 Y201Y189-S198 WeakPolarHBondContact CE1-O 3Å; Y189-S198 PolarHBondContact OH-O 3.3Å; P196-S198 PolarHBondContact O-N 3.37Å; S198-S200 PolarHBondContact O-N 2.75Å; S198-S200 PolarHBondContact OG-OG 3.32Å; S198-Y201 WeakPolarHBondContact O-CB 3.39Å; S198-Y201 PolarHBondContact O-N 3.3Å; S198-Y201 VanDerWaalsContact O-N 3.16Å
199E98.1Very high95.6Very high17 Ų1754 Ų548%0.07930%0.296CS..THydrogen-bonded Turntrans-69.2-15.9178.2-58.795.7155.600114Y189 R240 P303 N305 R345Y189-E199 WeakPolarHBondContact OH-CA 3.35Å; E199-R240 PolarHBondContact O-NH1 3.48Å; E199-R240 VanDerWaalsContact O-NH1 3.09Å; E199-P303 WeakPolarHBondContact CG-O 3.28Å; E199-N305 HydrophobicContact CG-CB 4.31Å; E199-N305 WeakPolarHBondContact OE1-CB 3.44Å; E199-N305 PolarHBondContact OE1-N 3.46Å; E199-R345 WeakPolarHBondContact OE1-CB 3.43Å; E199-R345 IonicContact OE1-NE 3.23Å; E199-R345 IonicContact OE2-CZ 3.39Å; E199-R345 IonicContact OE2-NE 3.39Å; E199-R345 PolarHBondContact OE2-NE 2.85Å
200S97.2Very high95.5Very high87 Ų8757.1 Ų57.161%0.60832%0.317SS*.THydrogen-bonded Turntrans-77.5-18.4173.242.50000113.8S198 W202S198-S200 PolarHBondContact O-N 2.75Å; S198-S200 PolarHBondContact OG-OG 3.32Å; S200-W202 PolarHBondContact O-N 3.03Å
201Y97.3Very high95.5Very high15 Ų1557.4 Ų57.46%0.05932%0.316CS..  trans-67.3128.9178.3178-132.7000111Y189 P192 T193 E194 S198 G203 N204Y189-Y201 AromaticContact CD1-CD1 3.64Å; Y189-Y201 HydrophobicContact CD1-CD1 3.64Å; Y189-Y201 HydrophobicContact CD1-CE1 4.44Å; Y189-Y201 HydrophobicContact CD1-CG 4.42Å; Y189-Y201 HydrophobicContact CE1-CD1 4.42Å; Y189-Y201 HydrophobicContact CG-CD1 4.22Å; P192-Y201 HydrophobicContact CB-CE1 3.78Å; T193-Y201 PolarHBondContact N-OH 3.44Å; T193-Y201 PolarHBondContact OG1-OH 3.06Å; E194-Y201 HydrophobicContact CB-CD2 4.01Å; E194-Y201 HydrophobicContact CB-CE2 4.13Å; E194-Y201 HydrophobicContact CB-CG 4.22Å; E194-Y201 HydrophobicContact CG-CD2 3.85Å; E194-Y201 HydrophobicContact CG-CE2 3.87Å; E194-Y201 VanDerWaalsContact OE1-CD2 3.26Å; E194-Y201 WeakPolarHBondContact OE1-CD2 3.18Å; E194-Y201 WeakPolarHBondContact OE2-CD2 2.82Å; S198-Y201 WeakPolarHBondContact O-CB 3.39Å; S198-Y201 PolarHBondContact O-N 3.3Å; S198-Y201 VanDerWaalsContact O-N 3.16Å; Y201-G203 VanDerWaalsContact C-N 3.28Å; Y201-G203 VanDerWaalsContact CE1-CA 3.43Å; Y201-G203 PolarHBondContact O-N 3.46Å; Y201-N204 VanDerWaalsContact OH-CB 3.25Å; Y201-N204 WeakPolarHBondContact OH-CB 3.31Å; Y201-N204 PolarHBondContact OH-N 3.32Å
202W95.9Very high95.7Very high230 Ų23056.8 Ų56.887%0.87132%0.315SS*.  trans-73.3-17.6-178.3-68.6-10.1000114.2S200 R219S200-W202 PolarHBondContact O-N 3.03Å; W202-R219 PolarHBondContact O-NH1 3.44Å; W202-R219 PolarHBondContact O-NH2 3.37Å
203G95.5Very high96Very high18 Ų1856.9 Ų56.919%0.18632%0.316CS..  trans86.3156.1-176.100000113.9Y189 Y201Y189-G203 WeakPolarHBondContact O-CA 3.07Å; Y201-G203 VanDerWaalsContact C-N 3.28Å; Y201-G203 VanDerWaalsContact CE1-CA 3.43Å; Y201-G203 PolarHBondContact O-N 3.46Å
204N95.8Very high96.2Very high81 Ų8152.4 Ų52.443%0.43329%0.287SS..BIsolated β-bridgetrans-124.871.1176.8177.645.2000109Y189 G190 D191 T193 Y201Y189-N204 PolarHBondContact O-N 3.11Å; G190-N204 WeakPolarHBondContact CA-O 3.33Å; D191-N204 PolarHBondContact N-O 3.41Å; D191-N204 WeakPolarHBondContact O-CB 3.14Å; D191-N204 PolarHBondContact O-ND2 3.29Å; T193-N204 HydrophobicContact CG2-CB 4.35Å; Y201-N204 VanDerWaalsContact OH-CB 3.25Å; Y201-N204 WeakPolarHBondContact OH-CB 3.31Å; Y201-N204 PolarHBondContact OH-N 3.32Å
205V96Very high96.3Very high22 Ų2248.3 Ų48.313%0.13327%0.269CS..  trans-94.8140.1-175.9174.60000110.1V188 P207 D215 E216V188-V205 WeakPolarHBondContact O-CG2 3.27Å; V205-P207 VanDerWaalsContact O-CD 3.29Å; V205-P207 WeakPolarHBondContact O-CD 3.45Å; V205-D215 HydrophobicContact CG1-CB 3.69Å; V205-D215 HydrophobicContact CG2-CB 4.47Å; V205-E216 HydrophobicContact CG1-CG 4.33Å
206N96.3Very high96.5Very high63 Ų6347.7 Ų47.734%0.33727%0.266SS..  trans-86.8105170.9-178.70.8000110.1V208 G209 D334N206-V208 PolarHBondContact O-N 2.8Å; N206-V208 WeakPolarHBondContact OD1-CG2 3.38Å; N206-V208 PolarHBondContact OD1-N 2.66Å; N206-G209 VanDerWaalsContact ND2-CA 3.32Å; N206-G209 WeakPolarHBondContact ND2-CA 3.33Å; N206-G209 PolarHBondContact O-N 3.23Å; N206-G209 PolarHBondContact OD1-N 3.22Å; N206-D334 PolarHBondContact ND2-OD2 2.9Å
207P96.2Very high96.6Very high79 Ų7945.2 Ų45.251%0.51325%0.25SS..THydrogen-bonded Turntrans-71.9-12.2-171.930.4-37000113.8V205 S212 E216V205-P207 VanDerWaalsContact O-CD 3.29Å; V205-P207 WeakPolarHBondContact O-CD 3.45Å; P207-S212 VanDerWaalsContact O-CB 3.23Å; P207-S212 WeakPolarHBondContact O-CB 3.3Å; P207-E216 HydrophobicContact CB-CG 4.26Å
208V96.5Very high96.6Very high131 Ų13145.6 Ų45.679%0.79425%0.252SS*.THydrogen-bonded Turntrans-117.92.3179.1-61.60000112.8N206N206-V208 PolarHBondContact O-N 2.8Å; N206-V208 WeakPolarHBondContact OD1-CG2 3.38Å; N206-V208 PolarHBondContact OD1-N 2.66Å
209G94.8Very high96.7Very high8 Ų848.6 Ų48.68%0.08226%0.26CS..SBendtrans-73.5171.1178.700000113.3N206 R211 S212N206-G209 VanDerWaalsContact ND2-CA 3.32Å; N206-G209 WeakPolarHBondContact ND2-CA 3.33Å; N206-G209 PolarHBondContact O-N 3.23Å; N206-G209 PolarHBondContact OD1-N 3.22Å; G209-R211 PolarHBondContact O-N 3.15Å; G209-R211 VanDerWaalsContact O-N 3.17Å; G209-S212 WeakPolarHBondContact O-CB 3.47Å; G209-S212 PolarHBondContact O-N 3.18Å; G209-S212 VanDerWaalsContact O-N 3.1Å; G209-S212 PolarHBondContact O-OG 3.38Å
210P93.6Very high96.7Very high67 Ų6750.7 Ų50.744%0.43527%0.274SS..THydrogen-bonded Turntrans-62.3-25.5-177.625.3-34.5000113.7M152 V333M152-P210 HydrophobicContact CE-CB 4.4Å; P210-V333 HydrophobicContact CG-CB 4.28Å; P210-V333 HydrophobicContact CG-CG1 4.23Å
211R95.1Very high96.8Very high11 Ų1146.6 Ų46.64%0.04225%0.245CC..THydrogen-bonded Turntrans-88.7-12.2179.1-60.6174.776128.4-4.4114Y151 M152 E187 G209 C213 Y214 D215 D334 D335Y151-R211 PolarHBondContact OH-NE 3.08Å; M152-R211 HydrophobicContact CE-CB 4.29Å; M152-R211 HydrophobicContact CE-CG 3.35Å; E187-R211 VanDerWaalsContact CD-NH2 3.31Å; E187-R211 IonicContact OE1-NH2 3.65Å; E187-R211 IonicContact OE2-CZ 3.23Å; E187-R211 IonicContact OE2-NE 2.75Å; E187-R211 IonicContact OE2-NH2 3.18Å; E187-R211 PolarHBondContact OE2-NH2 3.18Å; G209-R211 PolarHBondContact O-N 3.15Å; G209-R211 VanDerWaalsContact O-N 3.17Å; R211-C213 PolarHBondContact O-N 2.79Å; R211-Y214 PolarHBondContact O-N 3.37Å; R211-D215 WeakPolarHBondContact CB-OD2 3.09Å; R211-D215 PolarHBondContact O-N 2.84Å; R211-D215 VanDerWaalsContact O-N 3.14Å; R211-D334 VanDerWaalsContact CD-O 3.28Å; R211-D334 WeakPolarHBondContact CD-O 3.16Å; R211-D335 IonicContact CZ-OD1 2.76Å; R211-D335 IonicContact NH1-OD1 2.78Å; R211-D335 PolarHBondContact NH1-OD1 2.85Å; R211-D335 IonicContact NH2-OD1 3.67Å
212S96.5Very high96.8Very high24 Ų2446.7 Ų46.717%0.16825%0.246CC..Hα-helixtrans-50.2-36.9-17459.10000113.5P207 G209 Y214 D215 E216P207-S212 VanDerWaalsContact O-CB 3.23Å; P207-S212 WeakPolarHBondContact O-CB 3.3Å; G209-S212 WeakPolarHBondContact O-CB 3.47Å; G209-S212 PolarHBondContact O-N 3.18Å; G209-S212 VanDerWaalsContact O-N 3.1Å; G209-S212 PolarHBondContact O-OG 3.38Å; S212-Y214 PolarHBondContact O-N 2.82Å; S212-D215 PolarHBondContact O-N 2.76Å; S212-E216 VanDerWaalsContact O-CB 3.26Å; S212-E216 WeakPolarHBondContact O-CB 3.32Å; S212-E216 PolarHBondContact O-N 3.49Å
213C97.5Very high97Very high3 Ų338.7 Ų38.72%0.0223%0.229CC..Hα-helixtrans-58.5-31.7-179.566.40000114.6P155 I159 R211P155-C213 HydrophobicContact CB-CB 3.65Å; P155-C213 WeakPolarHBondContact O-CB 3.47Å; I159-C213 HydrophobicContact CD1-CB 3.85Å; I159-C213 VanDerWaalsContact CG1-CA 3.42Å; I159-C213 HydrophobicContact CG1-CB 3.64Å; I159-C213 VanDerWaalsContact CG1-O 3.29Å; I159-C213 WeakPolarHBondContact CG1-O 3.24Å; R211-C213 PolarHBondContact O-N 2.79Å
214Y98Very high97.1Very high10 Ų1039.6 Ų39.64%0.03923%0.229CC..Hα-helixtrans-92.3-49.8176.3-176.4-104.1000110.6P145 A146 Y151 T158 T185 E187 R211 S212 G217 K218P145-Y214 VanDerWaalsContact O-CD2 3.3Å; P145-Y214 WeakPolarHBondContact O-CD2 3.47Å; P145-Y214 WeakPolarHBondContact O-CE2 3.47Å; A146-Y214 HydrophobicContact CB-CE2 4.29Å; Y151-Y214 HydrophobicContact CD1-CD1 4.12Å; Y151-Y214 AromaticContact CD1-CD2 3.94Å; Y151-Y214 HydrophobicContact CD1-CD2 3.94Å; Y151-Y214 AromaticContact CD1-CG 3.71Å; Y151-Y214 HydrophobicContact CD1-CG 3.71Å; Y151-Y214 HydrophobicContact CD2-CG 4.4Å; Y151-Y214 AromaticContact CE1-CD1 3.98Å; Y151-Y214 HydrophobicContact CE1-CD1 3.98Å; Y151-Y214 AromaticContact CE1-CG 3.99Å; Y151-Y214 HydrophobicContact CE1-CG 3.99Å; Y151-Y214 HydrophobicContact CG-CD2 4.15Å; Y151-Y214 AromaticContact CG-CG 3.97Å; Y151-Y214 HydrophobicContact CG-CG 3.97Å; T158-Y214 HydrophobicContact CG2-CD2 4.25Å; T185-Y214 HydrophobicContact CG2-CE1 3.72Å; T185-Y214 PolarHBondContact OG1-OH 3.01Å; E187-Y214 HydrophobicContact CB-CD1 4.09Å; E187-Y214 HydrophobicContact CB-CE1 4Å; E187-Y214 HydrophobicContact CG-CD1 3.95Å; E187-Y214 HydrophobicContact CG-CE1 3.65Å; R211-Y214 PolarHBondContact O-N 3.37Å; S212-Y214 PolarHBondContact O-N 2.82Å; Y214-G217 PolarHBondContact O-N 3.04Å; Y214-K218 HydrophobicContact CE1-CG 4.35Å; Y214-K218 HydrophobicContact CE2-CG 4.18Å; Y214-K218 VanDerWaalsContact O-CG 3.32Å; Y214-K218 WeakPolarHBondContact O-CG 3.44Å; Y214-K218 PolarHBondContact O-N 2.8Å
215D97.4Very high97.3Very high8 Ų835.8 Ų35.84%0.04321%0.209CC..Hα-helixtrans-62.8-54.3-174.2-56-5000111.2E187 V205 R211 S212 G217 K218 R219E187-D215 WeakPolarHBondContact CB-OD1 3.18Å; V205-D215 HydrophobicContact CG1-CB 3.69Å; V205-D215 HydrophobicContact CG2-CB 4.47Å; R211-D215 WeakPolarHBondContact CB-OD2 3.09Å; R211-D215 PolarHBondContact O-N 2.84Å; R211-D215 VanDerWaalsContact O-N 3.14Å; S212-D215 PolarHBondContact O-N 2.76Å; D215-G217 VanDerWaalsContact C-N 3.32Å; D215-G217 PolarHBondContact O-N 2.71Å; D215-K218 PolarHBondContact O-N 2.98Å; D215-R219 WeakPolarHBondContact O-CG 3.47Å; D215-R219 PolarHBondContact O-N 3.48Å
216E97.7Very high97.4Very high55 Ų5537.1 Ų37.126%0.25722%0.217SC..Hα-helixtrans-69-33.4175.6-67-63.4169.400111.6V205 P207 S212 K218 R219 V220V205-E216 HydrophobicContact CG1-CG 4.33Å; P207-E216 HydrophobicContact CB-CG 4.26Å; S212-E216 VanDerWaalsContact O-CB 3.26Å; S212-E216 WeakPolarHBondContact O-CB 3.32Å; S212-E216 PolarHBondContact O-N 3.49Å; E216-K218 VanDerWaalsContact C-N 3.27Å; E216-K218 PolarHBondContact O-N 2.94Å; E216-R219 PolarHBondContact O-N 3.48Å; E216-R219 IonicContact OE2-NE 3.86Å; E216-V220 WeakPolarHBondContact O-CB 3.19Å; E216-V220 WeakPolarHBondContact O-CG2 3.29Å; E216-V220 PolarHBondContact O-N 3.27Å
217G98.1Very high97.5Very high2 Ų236.5 Ų36.52%0.02122%0.221CC..Hα-helixtrans-55-45.217300000111.7N162 Y214 D215 A221N162-G217 WeakPolarHBondContact CB-O 3.46Å; Y214-G217 PolarHBondContact O-N 3.04Å; D215-G217 VanDerWaalsContact C-N 3.32Å; D215-G217 PolarHBondContact O-N 2.71Å; G217-A221 WeakPolarHBondContact O-CB 3.49Å; G217-A221 PolarHBondContact O-N 3.16Å
218K98.6Very high97.6Very high8 Ų835.2 Ų35.24%0.03521%0.206CC..Hα-helixtrans-73.5-36.7178.2-68.7-70.7-170.6179.20112.6A183 T185 V188 Y214 D215 E216 A221 E222A183-K218 PolarHBondContact O-NZ 3.34Å; T185-K218 HydrophobicContact CG2-CB 3.83Å; T185-K218 HydrophobicContact CG2-CD 4.32Å; T185-K218 HydrophobicContact CG2-CG 3.64Å; V188-K218 HydrophobicContact CG1-CB 3.88Å; Y214-K218 HydrophobicContact CE1-CG 4.35Å; Y214-K218 HydrophobicContact CE2-CG 4.18Å; Y214-K218 VanDerWaalsContact O-CG 3.32Å; Y214-K218 WeakPolarHBondContact O-CG 3.44Å; Y214-K218 PolarHBondContact O-N 2.8Å; D215-K218 PolarHBondContact O-N 2.98Å; E216-K218 VanDerWaalsContact C-N 3.27Å; E216-K218 PolarHBondContact O-N 2.94Å; K218-A221 WeakPolarHBondContact O-CB 3.38Å; K218-A221 PolarHBondContact O-N 3.26Å; K218-E222 PolarHBondContact O-N 3.29Å
219R98.5Very high97.7Very high81 Ų8131.9 Ų31.931%0.30618%0.182SC..Hα-helixtrans-62-44.7173.4-70.5169.468.794.71.4111.9V188 W202 D215 E216 A221 E222 A223V188-R219 HydrophobicContact CB-CG 3.95Å; V188-R219 HydrophobicContact CG1-CG 4.06Å; V188-R219 PolarHBondContact O-NH1 2.94Å; W202-R219 PolarHBondContact O-NH1 3.44Å; W202-R219 PolarHBondContact O-NH2 3.37Å; D215-R219 WeakPolarHBondContact O-CG 3.47Å; D215-R219 PolarHBondContact O-N 3.48Å; E216-R219 PolarHBondContact O-N 3.48Å; E216-R219 IonicContact OE2-NE 3.86Å; R219-A221 VanDerWaalsContact C-N 3.32Å; R219-A221 PolarHBondContact O-N 2.88Å; R219-E222 PolarHBondContact O-N 3.34Å; R219-A223 PolarHBondContact O-N 2.66Å
220V98.5Very high97.9Very high62 Ų6239.6 Ų39.638%0.37621%0.213SC..Hα-helixtrans-63.4-39.4174.2173.60000111T163 E216 A223 L224T163-V220 HydrophobicContact CG2-CB 4.25Å; T163-V220 HydrophobicContact CG2-CG1 3.83Å; E216-V220 WeakPolarHBondContact O-CB 3.19Å; E216-V220 WeakPolarHBondContact O-CG2 3.29Å; E216-V220 PolarHBondContact O-N 3.27Å; V220-A223 PolarHBondContact O-N 3.31Å; V220-L224 HydrophobicContact CG1-CD1 4.06Å; V220-L224 HydrophobicContact CG1-CG 4.3Å; V220-L224 WeakPolarHBondContact O-CB 3.48Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.48Å; V220-L224 PolarHBondContact O-N 3Å
221A98.8Very high98.1Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-60.6-44.4174.700000112.1T166 L182 G217 K218 R219 L224 M225T166-A221 HydrophobicContact CG2-CB 4.14Å; L182-A221 HydrophobicContact CD1-CB 4.15Å; L182-A221 HydrophobicContact CD2-CB 3.72Å; G217-A221 WeakPolarHBondContact O-CB 3.49Å; G217-A221 PolarHBondContact O-N 3.16Å; K218-A221 WeakPolarHBondContact O-CB 3.38Å; K218-A221 PolarHBondContact O-N 3.26Å; R219-A221 VanDerWaalsContact C-N 3.32Å; R219-A221 PolarHBondContact O-N 2.88Å; A221-L224 PolarHBondContact O-N 2.97Å; A221-M225 VanDerWaalsContact O-CG 3.24Å; A221-M225 WeakPolarHBondContact O-CG 3.39Å; A221-M225 PolarHBondContact O-N 3.18Å
222E98.8Very high98.2Very high18 Ų1845.8 Ų45.88%0.08424%0.237CC..Hα-helixtrans-61.3-44.1173.9-69.4-168.5-175.800112L182 S184 K218 R219 L224 M225 V226 I238 R240L182-E222 HydrophobicContact CD2-CG 4.09Å; S184-E222 VanDerWaalsContact CB-OE1 3.22Å; S184-E222 WeakPolarHBondContact CB-OE1 3.26Å; S184-E222 PolarHBondContact OG-OE1 3.23Å; K218-E222 PolarHBondContact O-N 3.29Å; R219-E222 PolarHBondContact O-N 3.34Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 3.02Å; E222-M225 WeakPolarHBondContact O-CB 3.45Å; E222-M225 PolarHBondContact O-N 2.88Å; E222-V226 WeakPolarHBondContact O-CG2 3.49Å; E222-V226 PolarHBondContact O-N 3.4Å; E222-I238 HydrophobicContact CB-CD1 4.44Å; E222-I238 HydrophobicContact CG-CG2 3.8Å; E222-R240 WeakPolarHBondContact OE1-CG 3.34Å; E222-R240 IonicContact OE1-CZ 3.8Å; E222-R240 IonicContact OE1-NE 3.47Å; E222-R240 PolarHBondContact OE1-NE 3.06Å; E222-R240 IonicContact OE1-NH2 3.92Å; E222-R240 IonicContact OE2-CZ 3.32Å; E222-R240 IonicContact OE2-NE 3.53Å; E222-R240 PolarHBondContact OE2-NE 2.87Å; E222-R240 IonicContact OE2-NH2 3.89Å; E222-R240 PolarHBondContact OE2-NH2 3.29Å
223A98.6Very high98.3Very high61 Ų6152.7 Ų52.750%0.50427%0.266SS..Hα-helixtrans-61.5-41.8177.700000112R219 V220 V226 A227R219-A223 PolarHBondContact O-N 2.66Å; V220-A223 PolarHBondContact O-N 3.31Å; A223-V226 PolarHBondContact O-N 3.06Å; A223-A227 WeakPolarHBondContact O-CB 3.2Å; A223-A227 PolarHBondContact O-N 2.95Å
224L98.8Very high98.4Very high37 Ų3752.9 Ų52.919%0.19427%0.267CS..Hα-helixtrans-62-44.8174.9-75.1170000111.7T166 I167 L170 V220 A221 E222 V226 A227 Y228T166-L224 HydrophobicContact CG2-CB 4.14Å; T166-L224 HydrophobicContact CG2-CD1 4.12Å; I167-L224 HydrophobicContact CD1-CD1 4.42Å; I167-L224 HydrophobicContact CG1-CD1 3.82Å; I167-L224 HydrophobicContact CG1-CD2 4.29Å; L170-L224 HydrophobicContact CD1-CB 3.77Å; V220-L224 HydrophobicContact CG1-CD1 4.06Å; V220-L224 HydrophobicContact CG1-CG 4.3Å; V220-L224 WeakPolarHBondContact O-CB 3.48Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.48Å; V220-L224 PolarHBondContact O-N 3Å; A221-L224 PolarHBondContact O-N 2.97Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 3.02Å; L224-V226 PolarHBondContact O-N 3.37Å; L224-A227 PolarHBondContact O-N 3.47Å; L224-Y228 WeakPolarHBondContact O-CD2 3.36Å; L224-Y228 PolarHBondContact O-N 3.24Å
225M98.9Very high98.4Very high1 Ų155 Ų551%0.00528%0.279CS..Hα-helixtrans-55.5-51.9176.2-66.5-74.5-71.500110.4L170 V180 L182 A221 E222 A227 Y228 H229 I236 R237 I238L170-M225 HydrophobicContact CD1-SD 4.28Å; L170-M225 HydrophobicContact CD2-SD 3.6Å; L170-M225 HydrophobicContact CG-SD 4.12Å; V180-M225 HydrophobicContact CG1-CE 4Å; V180-M225 HydrophobicContact CG1-SD 4.46Å; V180-M225 HydrophobicContact CG2-CE 4.17Å; V180-M225 HydrophobicContact CG2-SD 4.43Å; V180-M225 WeakPolarHBondContact O-CE 3.44Å; L182-M225 HydrophobicContact CB-CE 3.78Å; L182-M225 HydrophobicContact CB-CG 3.98Å; L182-M225 HydrophobicContact CB-SD 3.97Å; L182-M225 HydrophobicContact CD2-CG 3.8Å; L182-M225 HydrophobicContact CG-CG 4.46Å; A221-M225 VanDerWaalsContact O-CG 3.24Å; A221-M225 WeakPolarHBondContact O-CG 3.39Å; A221-M225 PolarHBondContact O-N 3.18Å; E222-M225 WeakPolarHBondContact O-CB 3.45Å; E222-M225 PolarHBondContact O-N 2.88Å; M225-A227 PolarHBondContact O-N 3.28Å; M225-Y228 PolarHBondContact O-N 2.97Å; M225-H229 WeakPolarHBondContact O-CB 3.49Å; M225-H229 PolarHBondContact O-N 2.88Å; M225-I236 HydrophobicContact CB-CD1 4.07Å; M225-I236 HydrophobicContact CB-CG2 4.4Å; M225-I236 HydrophobicContact CE-CB 3.65Å; M225-I236 HydrophobicContact CE-CG2 3.78Å; M225-I236 HydrophobicContact SD-CG2 4.41Å; M225-R237 WeakPolarHBondContact CE-O 3.34Å; M225-I238 HydrophobicContact CB-CD1 3.97Å; M225-I238 HydrophobicContact CB-CG1 4.2Å; M225-I238 HydrophobicContact CG-CG1 4.42Å
226V98.7Very high98.5Very high50 Ų5054.7 Ų54.730%0.30328%0.278SS..Hα-helixtrans-63.9-39.1-179.5175.80000112E222 A223 L224 H229 K230 I236 I238E222-V226 WeakPolarHBondContact O-CG2 3.49Å; E222-V226 PolarHBondContact O-N 3.4Å; A223-V226 PolarHBondContact O-N 3.06Å; L224-V226 PolarHBondContact O-N 3.37Å; V226-H229 PolarHBondContact O-N 2.85Å; V226-K230 HydrophobicContact CG1-CD 4.05Å; V226-K230 HydrophobicContact CG1-CG 4.38Å; V226-K230 WeakPolarHBondContact O-CB 3.15Å; V226-K230 WeakPolarHBondContact O-CG 3.44Å; V226-K230 PolarHBondContact O-N 3.25Å; V226-I236 HydrophobicContact CG2-CD1 4.43Å; V226-I238 HydrophobicContact CG2-CD1 4.07Å
227A98.6Very high98.5Very high51 Ų5152.2 Ų52.242%0.42127%0.266SS..Hα-helixtrans-63.7-46.2177.300000111.9A223 L224 M225 H229 K230 Q231A223-A227 WeakPolarHBondContact O-CB 3.2Å; A223-A227 PolarHBondContact O-N 2.95Å; L224-A227 PolarHBondContact O-N 3.47Å; M225-A227 PolarHBondContact O-N 3.28Å; A227-H229 VanDerWaalsContact C-N 3.32Å; A227-H229 PolarHBondContact O-N 2.67Å; A227-K230 PolarHBondContact O-N 3.45Å; A227-Q231 WeakPolarHBondContact O-CB 3.35Å; A227-Q231 PolarHBondContact O-N 2.89Å
228Y98.7Very high98.6Very high52 Ų5252.1 Ų52.120%0.20427%0.265CS..Hα-helixtrans-64.2-36.6175.4-91.7-100.8000112.4L170 L224 M225 E232 Q233 V234L170-Y228 HydrophobicContact CB-CD1 3.89Å; L170-Y228 HydrophobicContact CB-CD2 4.04Å; L170-Y228 HydrophobicContact CB-CE1 3.83Å; L170-Y228 HydrophobicContact CB-CE2 3.98Å; L170-Y228 HydrophobicContact CB-CG 3.96Å; L170-Y228 HydrophobicContact CD1-CD2 3.6Å; L170-Y228 HydrophobicContact CD1-CE2 3.95Å; L170-Y228 HydrophobicContact CD1-CG 4.03Å; L170-Y228 HydrophobicContact CD2-CD1 4.47Å; L170-Y228 HydrophobicContact CD2-CD2 4.48Å; L170-Y228 HydrophobicContact CD2-CG 4.06Å; L170-Y228 HydrophobicContact CG-CD2 4.26Å; L170-Y228 HydrophobicContact CG-CG 4.26Å; L224-Y228 WeakPolarHBondContact O-CD2 3.36Å; L224-Y228 PolarHBondContact O-N 3.24Å; M225-Y228 PolarHBondContact O-N 2.97Å; Y228-E232 CarbonylContact O-C 3.49Å; Y228-E232 WeakPolarHBondContact O-CA 3.16Å; Y228-E232 WeakPolarHBondContact O-CB 3.45Å; Y228-E232 PolarHBondContact O-N 2.94Å; Y228-Q233 PolarHBondContact O-N 3.01Å; Y228-V234 HydrophobicContact CD1-CG2 3.94Å; Y228-V234 PolarHBondContact O-N 3.46Å
229H98.6Very high98.6Very high61 Ų6151.7 Ų51.728%0.28226%0.263SS..Hα-helixtrans-63-49.1173.9-179.161.1000111.8M225 V226 A227 Q233 V234 I236M225-H229 WeakPolarHBondContact O-CB 3.49Å; M225-H229 PolarHBondContact O-N 2.88Å; V226-H229 PolarHBondContact O-N 2.85Å; A227-H229 VanDerWaalsContact C-N 3.32Å; A227-H229 PolarHBondContact O-N 2.67Å; H229-Q233 WeakPolarHBondContact O-CA 3.46Å; H229-Q233 PolarHBondContact O-N 3.47Å; H229-V234 PolarHBondContact ND1-O 3.31Å; H229-I236 HydrophobicContact CB-CD1 3.59Å; H229-I236 HydrophobicContact CB-CG1 3.76Å; H229-I236 HydrophobicContact CB-CG2 4.18Å
230K98.4Very high98.6Very high170 Ų17049 Ų4974%0.73925%0.253SS*.Hα-helixtrans-68.3-43-178.3-72.8-179.1177.2-1770113.3V226 A227V226-K230 HydrophobicContact CG1-CD 4.05Å; V226-K230 HydrophobicContact CG1-CG 4.38Å; V226-K230 WeakPolarHBondContact O-CB 3.15Å; V226-K230 WeakPolarHBondContact O-CG 3.44Å; V226-K230 PolarHBondContact O-N 3.25Å; A227-K230 PolarHBondContact O-N 3.45Å
231Q98.2Very high98.6Very high148 Ų14847.2 Ų47.269%0.69224%0.241SC*.Hα-helixtrans-84.5-41.1-174.7-173.9-178-60.300112.5A227A227-Q231 WeakPolarHBondContact O-CB 3.35Å; A227-Q231 PolarHBondContact O-N 2.89Å
232E97.3Very high98.5Very high60 Ų6047.4 Ų47.428%0.2824%0.242SC..Hα-helixtrans-120.35.5-166.6-57.7-68.9178.600112.8R174 Y228 V234R174-E232 IonicContact CZ-OE1 2.62Å; R174-E232 IonicContact CZ-OE2 2.89Å; R174-E232 IonicContact NE-OE2 3.84Å; R174-E232 PolarHBondContact NE-OE2 3.32Å; R174-E232 VanDerWaalsContact NH1-CD 3.33Å; R174-E232 IonicContact NH1-OE1 2.67Å; R174-E232 PolarHBondContact NH1-OE1 3.23Å; R174-E232 VanDerWaalsContact NH1-OE1 3.14Å; R174-E232 IonicContact NH1-OE2 2.81Å; R174-E232 IonicContact NH2-OE1 3.72Å; R174-E232 PolarHBondContact NH2-OE1 2.73Å; R174-E232 IonicContact NH2-OE2 3.76Å; R174-E232 PolarHBondContact NH2-OE2 2.96Å; Y228-E232 CarbonylContact O-C 3.49Å; Y228-E232 WeakPolarHBondContact O-CA 3.16Å; Y228-E232 WeakPolarHBondContact O-CB 3.45Å; Y228-E232 PolarHBondContact O-N 2.94Å; E232-V234 HydrophobicContact CB-CG2 4.22Å; E232-V234 PolarHBondContact O-N 3.03Å; E232-V234 VanDerWaalsContact O-N 3.15Å
233Q98.2Very high98.3Very high169 Ų16947.9 Ų47.979%0.7925%0.245SC*.  trans55.231179.1-62.916769.900113.4Y228 H229 D235Y228-Q233 PolarHBondContact O-N 3.01Å; H229-Q233 WeakPolarHBondContact O-CA 3.46Å; H229-Q233 PolarHBondContact O-N 3.47Å; Q233-D235 PolarHBondContact O-N 2.85Å
234V98.7Very high98.2Very high7 Ų745.5 Ų45.54%0.04222%0.224CC..  trans-63.4132.5171.9179.60000109L170 A173 R174 V180 Y228 H229 E232 I236L170-V234 HydrophobicContact CD2-CG1 4.28Å; A173-V234 HydrophobicContact CB-CG1 4.01Å; R174-V234 HydrophobicContact CB-CG2 3.92Å; R174-V234 HydrophobicContact CG-CG2 4.41Å; V180-V234 HydrophobicContact CG1-CG1 3.8Å; Y228-V234 HydrophobicContact CD1-CG2 3.94Å; Y228-V234 PolarHBondContact O-N 3.46Å; H229-V234 PolarHBondContact ND1-O 3.31Å; E232-V234 HydrophobicContact CB-CG2 4.22Å; E232-V234 PolarHBondContact O-N 3.03Å; E232-V234 VanDerWaalsContact O-N 3.15Å; V234-I236 HydrophobicContact CB-CG2 4.31Å; V234-I236 HydrophobicContact CG1-CG2 3.99Å; V234-I236 PolarHBondContact O-N 2.98Å
235D98.8Very high98.1Very high54 Ų5443.9 Ų43.929%0.28922%0.215SC..  trans-79.9103.2179.6-171.60.2000109.8R179 V180 Q233 R237R179-D235 CarbonylContact C-O 3.52Å; R179-D235 VanDerWaalsContact CA-O 3.29Å; R179-D235 WeakPolarHBondContact CA-O 3.48Å; R179-D235 HydrophobicContact CB-CB 4.18Å; R179-D235 HydrophobicContact CG-CB 4.27Å; R179-D235 IonicContact CZ-OD2 2.81Å; R179-D235 VanDerWaalsContact CZ-OD2 3.24Å; R179-D235 VanDerWaalsContact NE-CG 3.34Å; R179-D235 IonicContact NE-OD1 3.98Å; R179-D235 PolarHBondContact NE-OD1 3.16Å; R179-D235 IonicContact NE-OD2 2.88Å; R179-D235 PolarHBondContact NE-OD2 3.44Å; R179-D235 IonicContact NH2-OD2 3.89Å; R179-D235 PolarHBondContact NH2-OD2 3.17Å; V180-D235 PolarHBondContact N-O 3.45Å; Q233-D235 PolarHBondContact O-N 2.85Å; D235-R237 IonicContact OD1-CZ 3.82Å; D235-R237 IonicContact OD1-NH1 3.9Å; D235-R237 PolarHBondContact OD1-NH1 3.29Å; D235-R237 IonicContact OD1-NH2 2.72Å; D235-R237 PolarHBondContact OD1-NH2 3.45Å
236I98.9Very high98Very high2 Ų243.8 Ų43.81%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-111149.7-168.863.7160.9000113.4V180 M225 V226 H229 V234 I238V180-I236 HydrophobicContact CG1-CG2 4.13Å; V180-I236 CarbonylContact O-C 3.45Å; V180-I236 WeakPolarHBondContact O-CA 3.48Å; M225-I236 HydrophobicContact CB-CD1 4.07Å; M225-I236 HydrophobicContact CB-CG2 4.4Å; M225-I236 HydrophobicContact CE-CB 3.65Å; M225-I236 HydrophobicContact CE-CG2 3.78Å; M225-I236 HydrophobicContact SD-CG2 4.41Å; V226-I236 HydrophobicContact CG2-CD1 4.43Å; H229-I236 HydrophobicContact CB-CD1 3.59Å; H229-I236 HydrophobicContact CB-CG1 3.76Å; H229-I236 HydrophobicContact CB-CG2 4.18Å; V234-I236 HydrophobicContact CB-CG2 4.31Å; V234-I236 HydrophobicContact CG1-CG2 3.99Å; V234-I236 PolarHBondContact O-N 2.98Å; I236-I238 HydrophobicContact CD1-CD1 4.3Å
237R98.9Very high97.9Very high2 Ų242.5 Ų42.51%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-131.2141.9165.7-59.8-63175-88.5-2.5109.3R179 V180 L181 L182 M225 D235 L295 S298 V300R179-R237 HydrophobicContact CG-CG 4.48Å; V180-R237 PolarHBondContact O-N 3.29Å; L181-R237 CarbonylContact C-O 3.54Å; L181-R237 VanDerWaalsContact CA-O 3.31Å; L181-R237 WeakPolarHBondContact CA-O 3.5Å; L181-R237 HydrophobicContact CB-CB 3.85Å; L181-R237 HydrophobicContact CD1-CB 3.94Å; L181-R237 HydrophobicContact CG-CB 3.78Å; L182-R237 PolarHBondContact N-O 3.3Å; M225-R237 WeakPolarHBondContact CE-O 3.34Å; D235-R237 IonicContact OD1-CZ 3.82Å; D235-R237 IonicContact OD1-NH1 3.9Å; D235-R237 PolarHBondContact OD1-NH1 3.29Å; D235-R237 IonicContact OD1-NH2 2.72Å; D235-R237 PolarHBondContact OD1-NH2 3.45Å; R237-L295 HydrophobicContact CB-CD2 4.18Å; R237-L295 HydrophobicContact CB-CG 3.96Å; R237-L295 WeakPolarHBondContact CD-O 3.27Å; R237-L295 HydrophobicContact CG-CG 4.28Å; R237-L295 PolarHBondContact NE-O 3.22Å; R237-S298 VanDerWaalsContact CZ-O 3.3Å; R237-S298 PolarHBondContact NE-O 3.43Å; R237-S298 PolarHBondContact NH2-O 3.05Å; R237-V300 WeakPolarHBondContact CD-O 3.39Å; R237-V300 PolarHBondContact NE-O 3.24Å; R237-V300 VanDerWaalsContact NE-O 3.15Å
238I98.9Very high97.7Very high0 Ų042.5 Ų42.50%020%0.197CC..EExtended strand (participates in β ladder)trans-127111.7178.7-60.2171.4000108.8E222 M225 V226 I236 P303 V304E222-I238 HydrophobicContact CB-CD1 4.44Å; E222-I238 HydrophobicContact CG-CG2 3.8Å; M225-I238 HydrophobicContact CB-CD1 3.97Å; M225-I238 HydrophobicContact CB-CG1 4.2Å; M225-I238 HydrophobicContact CG-CG1 4.42Å; V226-I238 HydrophobicContact CG2-CD1 4.07Å; I236-I238 HydrophobicContact CD1-CD1 4.3Å; I238-P303 HydrophobicContact CB-CB 4.34Å; I238-P303 HydrophobicContact CB-CG 4.34Å; I238-P303 HydrophobicContact CD1-CG 4.23Å; I238-P303 HydrophobicContact CG2-CB 4.02Å; I238-P303 HydrophobicContact CG2-CG 4.14Å; I238-P303 WeakPolarHBondContact O-CA 3.22Å; I238-V304 PolarHBondContact O-N 3.5Å
239A98.9Very high97.5Very high0 Ų040.3 Ų40.30%019%0.188CC..EExtended strand (participates in β ladder)trans-100.6113.2175.800000110.1L181 L182 S184 I241 L292 L295 L306L181-A239 HydrophobicContact CD2-CB 4.15Å; L182-A239 PolarHBondContact O-N 2.96Å; S184-A239 CarbonylContact C-O 3.12Å; S184-A239 WeakPolarHBondContact CA-O 3.4Å; S184-A239 VanDerWaalsContact CB-O 3.27Å; S184-A239 WeakPolarHBondContact CB-O 3.22Å; S184-A239 PolarHBondContact N-O 3.32Å; A239-I241 HydrophobicContact CB-CG1 4.23Å; A239-I241 PolarHBondContact O-N 3.25Å; A239-L292 HydrophobicContact CB-CD2 3.66Å; A239-L295 HydrophobicContact CB-CD2 3.83Å; A239-L306 HydrophobicContact CB-CD1 3.93Å
240R98.7Very high97Very high25 Ų2540 Ų409%0.09419%0.193CC..EExtended strand (participates in β ladder)trans-85.594.8170.7-71.9-179.1179.7166.5-0.1108.9V188 Y189 E199 E222 F242 P303 V304 L306V188-R240 HydrophobicContact CG2-CG 4.31Å; Y189-R240 VanDerWaalsContact CE1-NH1 3.31Å; Y189-R240 WeakPolarHBondContact OH-CD 3.45Å; Y189-R240 PolarHBondContact OH-NH1 3.12Å; E199-R240 PolarHBondContact O-NH1 3.48Å; E199-R240 VanDerWaalsContact O-NH1 3.09Å; E222-R240 WeakPolarHBondContact OE1-CG 3.34Å; E222-R240 IonicContact OE1-CZ 3.8Å; E222-R240 IonicContact OE1-NE 3.47Å; E222-R240 PolarHBondContact OE1-NE 3.06Å; E222-R240 IonicContact OE1-NH2 3.92Å; E222-R240 IonicContact OE2-CZ 3.32Å; E222-R240 IonicContact OE2-NE 3.53Å; E222-R240 PolarHBondContact OE2-NE 2.87Å; E222-R240 IonicContact OE2-NH2 3.89Å; E222-R240 PolarHBondContact OE2-NH2 3.29Å; R240-F242 WeakPolarHBondContact O-CD2 3.32Å; R240-P303 HydrophobicContact CG-CB 4.43Å; R240-V304 PolarHBondContact N-O 2.95Å; R240-L306 PolarHBondContact O-N 3.24Å
241I98.4Very high96.3Very high23 Ų2332.7 Ų32.712%0.11816%0.162CC..EExtended strand (participates in β ladder)trans-80.6126.5-174.2-58.4174.9000110A183 S184 T185 S186 A239 L288 L292A183-I241 HydrophobicContact CB-CD1 3.84Å; S184-I241 PolarHBondContact O-N 2.99Å; T185-I241 CarbonylContact C-O 3.54Å; T185-I241 WeakPolarHBondContact CA-O 3.12Å; S186-I241 PolarHBondContact N-O 3.31Å; A239-I241 HydrophobicContact CB-CG1 4.23Å; A239-I241 PolarHBondContact O-N 3.25Å; I241-L288 HydrophobicContact CB-CD1 4.44Å; I241-L288 HydrophobicContact CD1-CD1 4.09Å; I241-L288 HydrophobicContact CD1-CD2 4.3Å; I241-L288 HydrophobicContact CG1-CD1 3.9Å; I241-L288 HydrophobicContact CG2-CD1 3.86Å; I241-L288 HydrophobicContact CG2-CD2 3.83Å; I241-L292 HydrophobicContact CD1-CD2 4.21Å
242F97Very high95.7Very high5 Ų531.7 Ų31.72%0.02216%0.162CC..  trans-89.7177.8170.7-77-114.6000110.6Y189 Q197 R240 T244 N305 L306 R339 P341Y189-F242 HydrophobicContact CD2-CZ 4.13Å; Y189-F242 HydrophobicContact CE2-CE2 4.01Å; Y189-F242 AromaticContact CE2-CZ 3.74Å; Y189-F242 HydrophobicContact CE2-CZ 3.74Å; Q197-F242 HydrophobicContact CB-CZ 4.2Å; R240-F242 WeakPolarHBondContact O-CD2 3.32Å; F242-T244 PolarHBondContact O-N 2.93Å; F242-T244 PolarHBondContact O-OG1 2.98Å; F242-T244 VanDerWaalsContact O-OG1 3.05Å; F242-N305 HydrophobicContact CE2-CB 4Å; F242-N305 WeakPolarHBondContact CE2-OD1 3.24Å; F242-L306 PolarHBondContact N-O 3.09Å; F242-R339 HydrophobicContact CD1-CG 3.68Å; F242-R339 HydrophobicContact CE1-CG 3.74Å; F242-P341 HydrophobicContact CD1-CB 3.86Å; F242-P341 HydrophobicContact CD1-CG 3.98Å; F242-P341 HydrophobicContact CD2-CB 3.84Å; F242-P341 HydrophobicContact CD2-CG 4.45Å; F242-P341 HydrophobicContact CE1-CB 3.66Å; F242-P341 HydrophobicContact CE1-CG 4.2Å; F242-P341 HydrophobicContact CE2-CB 3.67Å; F242-P341 HydrophobicContact CG-CB 3.96Å; F242-P341 HydrophobicContact CG-CG 4.13Å; F242-P341 HydrophobicContact CZ-CB 3.57Å
243N95Very high95.1Very high28 Ų2829.5 Ų29.515%0.1515%0.152CC..  trans-54.5121.7-175.4-62.6-48.2000111.2S281 F282 Q283N243-S281 WeakPolarHBondContact CB-O 3.48Å; N243-F282 HydrophobicContact CB-CD1 3.97Å; N243-F282 HydrophobicContact CB-CE1 4.29Å; N243-Q283 PolarHBondContact O-N 3.02Å
244T96.6Very high94.3Very high10 Ų1022.7 Ų22.76%0.06113%0.127CC..EExtended strand (participates in β ladder)trans-122.3141.1-179.3-59.90000109.2F82 F242 Q283 I285 L288F82-T244 HydrophobicContact CE1-CG2 4.23Å; F82-T244 HydrophobicContact CZ-CG2 4.37Å; F242-T244 PolarHBondContact O-N 2.93Å; F242-T244 PolarHBondContact O-OG1 2.98Å; F242-T244 VanDerWaalsContact O-OG1 3.05Å; T244-Q283 CarbonylContact C-O 3.55Å; T244-Q283 WeakPolarHBondContact CA-O 3.39Å; T244-I285 HydrophobicContact CG2-CB 4.22Å; T244-I285 HydrophobicContact CG2-CD1 3.86Å; T244-L288 HydrophobicContact CG2-CB 3.97Å; T244-L288 HydrophobicContact CG2-CD2 3.75Å
245F96.3Very high93.8Very high3 Ų325.6 Ų25.61%0.01314%0.137CC..EExtended strand (participates in β ladder)trans-138.3162.1-179.276.9-78.9000111.4F82 M249 V257 F282 Q283 Y284 I285 L358 L362 T365F82-F245 VanDerWaalsContact CZ-C 3.48Å; F245-M249 HydrophobicContact CB-SD 4.25Å; F245-V257 HydrophobicContact CB-CB 4.19Å; F245-V257 HydrophobicContact CB-CG1 3.84Å; F245-V257 HydrophobicContact CB-CG2 4.09Å; F245-V257 HydrophobicContact CD2-CG1 3.99Å; F245-V257 HydrophobicContact CG-CG1 4.11Å; F245-V257 HydrophobicContact CG-CG2 4.41Å; F245-F282 HydrophobicContact CD1-CB 3.87Å; F245-F282 HydrophobicContact CE1-CB 3.87Å; F245-Q283 WeakPolarHBondContact CD1-O 3.34Å; F245-Q283 PolarHBondContact N-O 3.26Å; F245-Y284 HydrophobicContact CD2-CD2 4.36Å; F245-Y284 AromaticContact CE2-CD2 3.93Å; F245-Y284 HydrophobicContact CE2-CD2 3.93Å; F245-Y284 HydrophobicContact CZ-CD2 4.01Å; F245-I285 PolarHBondContact O-N 3.42Å; F245-L358 HydrophobicContact CE1-CD1 3.88Å; F245-L358 HydrophobicContact CZ-CD1 3.83Å; F245-L362 HydrophobicContact CD2-CD2 4.2Å; F245-L362 HydrophobicContact CE2-CD2 3.79Å; F245-L362 HydrophobicContact CE2-CG 4Å; F245-L362 HydrophobicContact CZ-CD2 4.43Å; F245-L362 HydrophobicContact CZ-CG 4.33Å; F245-T365 HydrophobicContact CD2-CG2 4.49Å
246G96.9Very high93.2Very high0 Ų024.7 Ų24.70%013%0.134CC..  trans153.7178.2-176.700000113.5M249 T365G246-M249 WeakPolarHBondContact O-CB 3.06Å; G246-M249 WeakPolarHBondContact O-CG 3.27Å; G246-M249 PolarHBondContact O-N 3.23Å; G246-T365 WeakPolarHBondContact CA-OG1 3.32Å
247P95.8Very high92.6Very high23 Ų2324.9 Ų24.915%0.14914%0.135CC..THydrogen-bonded Turntrans-51.9151.7173.8-2836000113.1F82 H86 M249 Y284 Y368F82-P247 VanDerWaalsContact CD2-O 3.27Å; F82-P247 WeakPolarHBondContact CD2-O 3.19Å; F82-P247 WeakPolarHBondContact CE2-O 3.45Å; H86-P247 PolarHBondContact NE2-O 3.27Å; P247-M249 PolarHBondContact O-N 2.93Å; P247-Y284 WeakPolarHBondContact CD-OH 3.22Å; P247-Y368 HydrophobicContact CB-CD1 4.17Å; P247-Y368 HydrophobicContact CB-CD2 3.87Å; P247-Y368 HydrophobicContact CB-CE2 4.43Å; P247-Y368 HydrophobicContact CB-CG 3.72Å; P247-Y368 HydrophobicContact CG-CG 4.43Å
248R95.4Very high92.1Very high50 Ų5024.8 Ų24.819%0.18913%0.134CC..THydrogen-bonded Turntrans67.82.1-175.8-50.5177.9-175.5151.24116.4F82 S85 D89 Y368F82-R248 HydrophobicContact CD2-CB 4.35Å; S85-R248 PolarHBondContact O-NH1 3.5Å; S85-R248 VanDerWaalsContact OG-CD 3.25Å; S85-R248 WeakPolarHBondContact OG-CD 3.43Å; S85-R248 PolarHBondContact OG-NH1 3.41Å; D89-R248 IonicContact OD1-NH1 3.54Å; D89-R248 IonicContact OD1-NH2 3.14Å; D89-R248 IonicContact OD2-CZ 2.69Å; D89-R248 IonicContact OD2-NH1 3.47Å; D89-R248 PolarHBondContact OD2-NH1 3.22Å; D89-R248 IonicContact OD2-NH2 3.59Å; D89-R248 PolarHBondContact OD2-NH2 2.71Å; R248-Y368 HydrophobicContact CG-CE2 4.43Å; R248-Y368 VanDerWaalsContact N-CZ 3.29Å
249M93.4Very high91.6Very high6 Ų626.1 Ų26.13%0.0314%0.142CC..SBendtrans-65.3152.7162.974.1-177.2-61.400110.2F82 F245 G246 P247 V257 T365 F369F82-M249 HydrophobicContact CD1-CB 4.04Å; F82-M249 HydrophobicContact CD2-CB 4.05Å; F82-M249 HydrophobicContact CE1-CB 4.16Å; F82-M249 HydrophobicContact CE2-CB 4.19Å; F82-M249 HydrophobicContact CG-CB 3.98Å; F82-M249 HydrophobicContact CZ-CB 4.24Å; F245-M249 HydrophobicContact CB-SD 4.25Å; G246-M249 WeakPolarHBondContact O-CB 3.06Å; G246-M249 WeakPolarHBondContact O-CG 3.27Å; G246-M249 PolarHBondContact O-N 3.23Å; P247-M249 PolarHBondContact O-N 2.93Å; M249-V257 HydrophobicContact CE-CB 4.4Å; M249-V257 HydrophobicContact SD-CG1 4.43Å; M249-T365 HydrophobicContact SD-CG2 4.03Å; M249-F369 HydrophobicContact CG-CE2 3.58Å; M249-F369 HydrophobicContact CG-CZ 3.58Å; M249-F369 HydrophobicContact SD-CE2 4.04Å; M249-F369 HydrophobicContact SD-CZ 3.9Å
250S88.7Confident91.2Very high55 Ų5526.3 Ų26.339%0.38514%0.143SC..  trans-70.5136.2176.9178.40000110N252 D253 S258S250-N252 PolarHBondContact O-N 2.76Å; S250-N252 PolarHBondContact OG-N 3.21Å; S250-D253 WeakPolarHBondContact O-CB 3.37Å; S250-D253 PolarHBondContact O-N 2.92Å; S250-S258 WeakPolarHBondContact O-CB 3.21Å
251M84.6Confident90.7Very high17 Ų1725.2 Ų25.28%0.08414%0.138CC..THydrogen-bonded Turntrans-64.5-32.1172.8-64.8-177.4-71.500111.3D253 S262 F369 M372 F373 K376M251-D253 VanDerWaalsContact C-N 3.33Å; M251-S262 PolarHBondContact O-OG 3.25Å; M251-F369 HydrophobicContact CB-CD1 4.5Å; M251-F369 HydrophobicContact CB-CE1 4.09Å; M251-F369 HydrophobicContact CG-CD1 3.77Å; M251-F369 HydrophobicContact CG-CE1 3.68Å; M251-F369 HydrophobicContact CG-CG 4.35Å; M251-F369 HydrophobicContact CG-CZ 4.16Å; M251-F369 HydrophobicContact SD-CD1 4.44Å; M251-M372 HydrophobicContact CE-CB 4.27Å; M251-M372 HydrophobicContact CE-CE 3.82Å; M251-M372 HydrophobicContact CE-SD 4.26Å; M251-M372 HydrophobicContact SD-CB 4.05Å; M251-M372 HydrophobicContact SD-SD 4.45Å; M251-F373 HydrophobicContact SD-CD2 4.44Å; M251-F373 HydrophobicContact SD-CE1 4.4Å; M251-F373 HydrophobicContact SD-CE2 4.02Å; M251-F373 HydrophobicContact SD-CZ 3.99Å; M251-K376 HydrophobicContact CE-CD 4.39Å; M251-K376 VanDerWaalsContact CE-NZ 3.35Å
252N83.9Confident90.2Very high127 Ų12724.6 Ų24.668%0.67914%0.136SC*.THydrogen-bonded Turntrans-100.434.4176.8-60.1-1.1000110.8S250 G254S250-N252 PolarHBondContact O-N 2.76Å; S250-N252 PolarHBondContact OG-N 3.21Å; N252-G254 PolarHBondContact O-N 3.43Å
253D84.3Confident89.9Confident13 Ų1326.1 Ų26.17%0.0714%0.143CC..  trans-65.9-26.2-179.6176.7-86.8000112.1S147 S250 M251 R255 S258S147-D253 WeakPolarHBondContact CB-O 3.38Å; S147-D253 PolarHBondContact OG-O 3.45Å; S147-D253 VanDerWaalsContact OG-O 3.14Å; S250-D253 WeakPolarHBondContact O-CB 3.37Å; S250-D253 PolarHBondContact O-N 2.92Å; M251-D253 VanDerWaalsContact C-N 3.33Å; D253-R255 VanDerWaalsContact C-N 3.3Å; D253-R255 VanDerWaalsContact CG-NH2 3.27Å; D253-R255 VanDerWaalsContact OD1-CB 3.32Å; D253-R255 WeakPolarHBondContact OD1-CB 3.38Å; D253-R255 WeakPolarHBondContact OD1-CG 3.35Å; D253-R255 IonicContact OD1-CZ 2.77Å; D253-R255 VanDerWaalsContact OD1-CZ 3.3Å; D253-R255 PolarHBondContact OD1-N 2.77Å; D253-R255 IonicContact OD1-NE 2.7Å; D253-R255 PolarHBondContact OD1-NE 3.46Å; D253-R255 IonicContact OD1-NH2 3.59Å; D253-R255 PolarHBondContact OD1-NH2 2.87Å; D253-R255 VanDerWaalsContact OD1-NH2 3.14Å; D253-R255 IonicContact OD2-CZ 3.25Å; D253-R255 IonicContact OD2-NE 3.93Å; D253-R255 IonicContact OD2-NH2 3.78Å; D253-R255 PolarHBondContact OD2-NH2 3.49Å; D253-S258 WeakPolarHBondContact CB-OG 3.32Å
254G83.1Confident89.5Confident27 Ų2724.9 Ų24.928%0.27814%0.137SC..  trans86.5-5175.100000114N252 N259N252-G254 PolarHBondContact O-N 3.43Å; G254-N259 VanDerWaalsContact CA-OD1 3.24Å; G254-N259 WeakPolarHBondContact CA-OD1 3.48Å; G254-N259 PolarHBondContact N-OD1 3.38Å; G254-N259 PolarHBondContact O-ND2 3.48Å
255R87.7Confident89Confident67 Ų6726.7 Ų26.725%0.25315%0.146SC..SBendtrans-87.3165.9173.7-69.2-179.9-72.9169.54.1111.6D253 V257 S258 N259D253-R255 VanDerWaalsContact C-N 3.3Å; D253-R255 VanDerWaalsContact CG-NH2 3.27Å; D253-R255 VanDerWaalsContact OD1-CB 3.32Å; D253-R255 WeakPolarHBondContact OD1-CB 3.38Å; D253-R255 WeakPolarHBondContact OD1-CG 3.35Å; D253-R255 IonicContact OD1-CZ 2.77Å; D253-R255 VanDerWaalsContact OD1-CZ 3.3Å; D253-R255 PolarHBondContact OD1-N 2.77Å; D253-R255 IonicContact OD1-NE 2.7Å; D253-R255 PolarHBondContact OD1-NE 3.46Å; D253-R255 IonicContact OD1-NH2 3.59Å; D253-R255 PolarHBondContact OD1-NH2 2.87Å; D253-R255 VanDerWaalsContact OD1-NH2 3.14Å; D253-R255 IonicContact OD2-CZ 3.25Å; D253-R255 IonicContact OD2-NE 3.93Å; D253-R255 IonicContact OD2-NH2 3.78Å; D253-R255 PolarHBondContact OD2-NH2 3.49Å; R255-V257 PolarHBondContact O-N 3.14Å; R255-S258 PolarHBondContact N-OG 3.36Å; R255-S258 PolarHBondContact O-N 2.62Å; R255-S258 PolarHBondContact O-OG 3.29Å; R255-N259 WeakPolarHBondContact O-CB 3.29Å; R255-N259 VanDerWaalsContact O-CG 3.25Å; R255-N259 PolarHBondContact O-N 2.83Å; R255-N259 PolarHBondContact O-OD1 2.55Å
256V86.1Confident88.6Confident35 Ų3530.9 Ų30.921%0.21217%0.166CC..Hα-helixtrans-48.2-56-174.1177.60000112.6S258 N259 F260 F282 I314 F317V256-S258 PolarHBondContact O-N 3.14Å; V256-N259 PolarHBondContact O-N 2.95Å; V256-F260 HydrophobicContact CG1-CD1 4.36Å; V256-F260 HydrophobicContact CG1-CD2 3.94Å; V256-F260 HydrophobicContact CG1-CE1 4.09Å; V256-F260 HydrophobicContact CG1-CE2 3.66Å; V256-F260 HydrophobicContact CG1-CG 4.29Å; V256-F260 HydrophobicContact CG1-CZ 3.76Å; V256-F260 WeakPolarHBondContact O-CB 3.05Å; V256-F260 VanDerWaalsContact O-CD1 3.29Å; V256-F260 WeakPolarHBondContact O-CD1 3.23Å; V256-F260 VanDerWaalsContact O-CG 3.29Å; V256-F260 WeakPolarHBondContact O-CG 3.36Å; V256-F260 PolarHBondContact O-N 3.03Å; V256-F282 HydrophobicContact CB-CE1 4.48Å; V256-F282 HydrophobicContact CB-CZ 4.21Å; V256-F282 HydrophobicContact CG1-CZ 4.11Å; V256-I314 HydrophobicContact CB-CD1 4.47Å; V256-I314 HydrophobicContact CG1-CD1 4.03Å; V256-I314 HydrophobicContact CG1-CG2 4.35Å; V256-I314 HydrophobicContact CG2-CD1 3.79Å; V256-F317 HydrophobicContact CG1-CD1 3.73Å; V256-F317 HydrophobicContact CG1-CE1 3.98Å
257V87.3Confident88.1Confident6 Ų637.3 Ų37.34%0.03620%0.2CC..Hα-helixtrans-61.8-47.9-174.1-175.90000112.2F245 M249 R255 I261 F282 F317 L362F245-V257 HydrophobicContact CB-CB 4.19Å; F245-V257 HydrophobicContact CB-CG1 3.84Å; F245-V257 HydrophobicContact CB-CG2 4.09Å; F245-V257 HydrophobicContact CD2-CG1 3.99Å; F245-V257 HydrophobicContact CG-CG1 4.11Å; F245-V257 HydrophobicContact CG-CG2 4.41Å; M249-V257 HydrophobicContact CE-CB 4.4Å; M249-V257 HydrophobicContact SD-CG1 4.43Å; R255-V257 PolarHBondContact O-N 3.14Å; V257-I261 HydrophobicContact CG1-CD1 3.67Å; V257-I261 HydrophobicContact CG1-CG1 4.48Å; V257-I261 WeakPolarHBondContact O-CB 3.45Å; V257-I261 VanDerWaalsContact O-CG1 3.27Å; V257-I261 WeakPolarHBondContact O-CG1 3.26Å; V257-I261 PolarHBondContact O-N 3.36Å; V257-I261 VanDerWaalsContact O-N 3.11Å; V257-F282 HydrophobicContact CG2-CD1 3.52Å; V257-F282 HydrophobicContact CG2-CE1 3.49Å; V257-F282 VanDerWaalsContact CG2-CE1 3.49Å; V257-F282 HydrophobicContact CG2-CG 4.27Å; V257-F282 HydrophobicContact CG2-CZ 4.2Å; V257-F317 HydrophobicContact CB-CE1 4.44Å; V257-F317 HydrophobicContact CB-CZ 4.13Å; V257-F317 HydrophobicContact CG1-CZ 4.06Å; V257-F317 HydrophobicContact CG2-CE1 4.09Å; V257-F317 HydrophobicContact CG2-CE2 4.3Å; V257-F317 HydrophobicContact CG2-CZ 3.61Å; V257-L362 HydrophobicContact CG1-CD2 4.09Å
258S86.9Confident87.8Confident0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-65.3-41.7-179.948.70000112.3S250 D253 R255 V256 S262S250-S258 WeakPolarHBondContact O-CB 3.21Å; D253-S258 WeakPolarHBondContact CB-OG 3.32Å; R255-S258 PolarHBondContact N-OG 3.36Å; R255-S258 PolarHBondContact O-N 2.62Å; R255-S258 PolarHBondContact O-OG 3.29Å; V256-S258 PolarHBondContact O-N 3.14Å; S258-S262 VanDerWaalsContact O-CB 3.22Å; S258-S262 WeakPolarHBondContact O-CB 3.37Å; S258-S262 PolarHBondContact O-N 3.14Å; S258-S262 PolarHBondContact O-OG 3.5Å
259N88.8Confident87.4Confident29 Ų2941 Ų4116%0.15522%0.223CC..Hα-helixtrans-67.2-46.2-177.4-68.7-0.9000109.7G254 R255 V256 S262 Q263G254-N259 VanDerWaalsContact CA-OD1 3.24Å; G254-N259 WeakPolarHBondContact CA-OD1 3.48Å; G254-N259 PolarHBondContact N-OD1 3.38Å; G254-N259 PolarHBondContact O-ND2 3.48Å; R255-N259 WeakPolarHBondContact O-CB 3.29Å; R255-N259 VanDerWaalsContact O-CG 3.25Å; R255-N259 PolarHBondContact O-N 2.83Å; R255-N259 PolarHBondContact O-OD1 2.55Å; V256-N259 PolarHBondContact O-N 2.95Å; N259-S262 PolarHBondContact O-N 3.41Å; N259-Q263 VanDerWaalsContact O-CB 3.23Å; N259-Q263 WeakPolarHBondContact O-CB 3.34Å; N259-Q263 WeakPolarHBondContact O-CG 3.45Å; N259-Q263 PolarHBondContact O-N 2.75Å
260F89.8Confident87.1Confident4 Ų440.8 Ų40.82%0.01822%0.222CC..Hα-helixtrans-65.3-47-176.9-72.314.6000110.9V256 S262 Q263 A264 I270 T271 V272 I314 F317 A318 V321V256-F260 HydrophobicContact CG1-CD1 4.36Å; V256-F260 HydrophobicContact CG1-CD2 3.94Å; V256-F260 HydrophobicContact CG1-CE1 4.09Å; V256-F260 HydrophobicContact CG1-CE2 3.66Å; V256-F260 HydrophobicContact CG1-CG 4.29Å; V256-F260 HydrophobicContact CG1-CZ 3.76Å; V256-F260 WeakPolarHBondContact O-CB 3.05Å; V256-F260 VanDerWaalsContact O-CD1 3.29Å; V256-F260 WeakPolarHBondContact O-CD1 3.23Å; V256-F260 VanDerWaalsContact O-CG 3.29Å; V256-F260 WeakPolarHBondContact O-CG 3.36Å; V256-F260 PolarHBondContact O-N 3.03Å; F260-S262 PolarHBondContact O-N 3.02Å; F260-Q263 PolarHBondContact O-N 3.17Å; F260-A264 WeakPolarHBondContact O-CB 3.45Å; F260-A264 PolarHBondContact O-N 3.19Å; F260-I270 HydrophobicContact CD1-CG2 3.51Å; F260-I270 HydrophobicContact CD2-CG2 3.95Å; F260-I270 HydrophobicContact CE1-CG2 3.46Å; F260-I270 VanDerWaalsContact CE1-CG2 3.46Å; F260-I270 HydrophobicContact CE2-CG2 3.91Å; F260-I270 HydrophobicContact CG-CG2 3.77Å; F260-I270 HydrophobicContact CZ-CG2 3.65Å; F260-T271 VanDerWaalsContact CE1-O 3.3Å; F260-T271 WeakPolarHBondContact CE1-O 3.22Å; F260-V272 HydrophobicContact CZ-CG2 4.08Å; F260-I314 HydrophobicContact CE2-CG2 3.87Å; F260-I314 HydrophobicContact CZ-CG2 3.49Å; F260-I314 VanDerWaalsContact CZ-CG2 3.49Å; F260-F317 HydrophobicContact CB-CE1 4.46Å; F260-F317 AromaticContact CD2-CD1 3.52Å; F260-F317 HydrophobicContact CD2-CD1 3.52Å; F260-F317 AromaticContact CD2-CE1 3.81Å; F260-F317 HydrophobicContact CD2-CE1 3.81Å; F260-F317 AromaticContact CE2-CD1 3.84Å; F260-F317 HydrophobicContact CE2-CD1 3.84Å; F260-F317 HydrophobicContact CG-CE1 4.45Å; F260-A318 HydrophobicContact CD2-CB 4.1Å; F260-A318 HydrophobicContact CE2-CB 3.65Å; F260-A318 HydrophobicContact CZ-CB 4.42Å; F260-V321 HydrophobicContact CB-CG1 4.41Å; F260-V321 HydrophobicContact CB-CG2 4.26Å
261I88.4Confident87.1Confident1 Ų139.1 Ų39.11%0.00521%0.209CC..Hα-helixtrans-62.3-45.7177.4-64.4172.1000110.4V257 L265 V321 L362 T365 I366 F369V257-I261 HydrophobicContact CG1-CD1 3.67Å; V257-I261 HydrophobicContact CG1-CG1 4.48Å; V257-I261 WeakPolarHBondContact O-CB 3.45Å; V257-I261 VanDerWaalsContact O-CG1 3.27Å; V257-I261 WeakPolarHBondContact O-CG1 3.26Å; V257-I261 PolarHBondContact O-N 3.36Å; V257-I261 VanDerWaalsContact O-N 3.11Å; I261-L265 HydrophobicContact CG2-CD1 3.78Å; I261-L265 HydrophobicContact CG2-CG 4.26Å; I261-L265 WeakPolarHBondContact O-CB 3.45Å; I261-L265 VanDerWaalsContact O-CG 3.23Å; I261-L265 WeakPolarHBondContact O-CG 3.28Å; I261-L265 PolarHBondContact O-N 3.17Å; I261-V321 HydrophobicContact CG1-CG1 4.25Å; I261-L362 HydrophobicContact CD1-CD2 4.21Å; I261-T365 HydrophobicContact CD1-CG2 3.73Å; I261-I366 HydrophobicContact CD1-CG1 4.03Å; I261-I366 HydrophobicContact CG1-CG1 4.02Å; I261-I366 HydrophobicContact CG2-CG1 4.02Å; I261-F369 HydrophobicContact CB-CD1 4.13Å; I261-F369 HydrophobicContact CB-CE1 4.28Å; I261-F369 HydrophobicContact CG2-CB 3.86Å; I261-F369 HydrophobicContact CG2-CD1 3.46Å; I261-F369 VanDerWaalsContact CG2-CD1 3.46Å; I261-F369 HydrophobicContact CG2-CD2 4.49Å; I261-F369 HydrophobicContact CG2-CE1 4.08Å; I261-F369 HydrophobicContact CG2-CG 3.7Å
262S88Confident87.2Confident11 Ų1138.3 Ų38.38%0.07721%0.205CC..Hα-helixtrans-66.2-40.8-178.8-55.90000112.4M251 S258 N259 F260 Q266M251-S262 PolarHBondContact O-OG 3.25Å; S258-S262 VanDerWaalsContact O-CB 3.22Å; S258-S262 WeakPolarHBondContact O-CB 3.37Å; S258-S262 PolarHBondContact O-N 3.14Å; S258-S262 PolarHBondContact O-OG 3.5Å; N259-S262 PolarHBondContact O-N 3.41Å; F260-S262 PolarHBondContact O-N 3.02Å; S262-Q266 WeakPolarHBondContact O-CB 3.23Å; S262-Q266 VanDerWaalsContact O-CG 3.22Å; S262-Q266 WeakPolarHBondContact O-CG 3.36Å; S262-Q266 PolarHBondContact O-N 3.01Å; S262-Q266 PolarHBondContact O-OE1 3.39Å
263Q90.2Very high87.2Confident36 Ų3636.6 Ų36.617%0.16819%0.19CC..Hα-helixtrans-65-49.3177.1-74.2170.5-22.600110.9N259 F260 L265 Q266 N267 H268 T271N259-Q263 VanDerWaalsContact O-CB 3.23Å; N259-Q263 WeakPolarHBondContact O-CB 3.34Å; N259-Q263 WeakPolarHBondContact O-CG 3.45Å; N259-Q263 PolarHBondContact O-N 2.75Å; F260-Q263 PolarHBondContact O-N 3.17Å; Q263-L265 PolarHBondContact O-N 3.29Å; Q263-Q266 CarbonylContact O-C 3.54Å; Q263-Q266 PolarHBondContact O-N 3.41Å; Q263-Q266 VanDerWaalsContact O-N 3.13Å; Q263-N267 PolarHBondContact O-N 3.05Å; Q263-N267 VanDerWaalsContact O-N 3.16Å; Q263-H268 HydrophobicContact CB-CB 4.18Å; Q263-H268 HydrophobicContact CG-CB 4.42Å; Q263-H268 PolarHBondContact O-N 3.16Å; Q263-T271 PolarHBondContact NE2-OG1 3.1Å
264A87.5Confident87.2Confident2 Ų237 Ų372%0.01720%0.196CC..Hα-helixtrans-57.8-49.4178.900000111.9F260 Q266 N267 V321 Q322F260-A264 WeakPolarHBondContact O-CB 3.45Å; F260-A264 PolarHBondContact O-N 3.19Å; A264-Q266 PolarHBondContact O-N 2.79Å; A264-N267 PolarHBondContact O-N 3.36Å; A264-V321 HydrophobicContact CB-CG1 3.86Å; A264-Q322 HydrophobicContact CB-CB 4.05Å; A264-Q322 PolarHBondContact O-OE1 3.28Å
265L86.9Confident87.2Confident48 Ų4840 Ų4025%0.25121%0.21SC..Hα-helixtrans-65.8-20.4178.7-68.8-178.6000114.2I261 Q263 I366 F369 N370 F373I261-L265 HydrophobicContact CG2-CD1 3.78Å; I261-L265 HydrophobicContact CG2-CG 4.26Å; I261-L265 WeakPolarHBondContact O-CB 3.45Å; I261-L265 VanDerWaalsContact O-CG 3.23Å; I261-L265 WeakPolarHBondContact O-CG 3.28Å; I261-L265 PolarHBondContact O-N 3.17Å; Q263-L265 PolarHBondContact O-N 3.29Å; L265-I366 HydrophobicContact CD2-CG2 4.21Å; L265-F369 HydrophobicContact CD1-CB 3.6Å; L265-N370 WeakPolarHBondContact CD1-OD1 3.24Å; L265-N370 WeakPolarHBondContact CD2-OD1 3.41Å; L265-F373 HydrophobicContact CB-CD2 4.26Å; L265-F373 HydrophobicContact CB-CE2 4.02Å; L265-F373 HydrophobicContact CD1-CD2 3.93Å; L265-F373 HydrophobicContact CD1-CE2 3.9Å
266Q87.6Confident86.8Confident92 Ų9236.8 Ų36.843%0.4320%0.198SC..THydrogen-bonded Turntrans-96.95175.6-68-178.9-35.300113.1S262 Q263 A264 H268 F373S262-Q266 WeakPolarHBondContact O-CB 3.23Å; S262-Q266 VanDerWaalsContact O-CG 3.22Å; S262-Q266 WeakPolarHBondContact O-CG 3.36Å; S262-Q266 PolarHBondContact O-N 3.01Å; S262-Q266 PolarHBondContact O-OE1 3.39Å; Q263-Q266 CarbonylContact O-C 3.54Å; Q263-Q266 PolarHBondContact O-N 3.41Å; Q263-Q266 VanDerWaalsContact O-N 3.13Å; A264-Q266 PolarHBondContact O-N 2.79Å; Q266-H268 PolarHBondContact O-N 2.71Å; Q266-H268 PolarHBondContact OE1-ND1 3.03Å; Q266-F373 HydrophobicContact CG-CE1 4Å; Q266-F373 HydrophobicContact CG-CZ 4.03Å
267N85.7Confident86.8Confident134 Ų13440.5 Ų40.572%0.71722%0.216SC*.THydrogen-bonded Turntrans56.731.1-173.1-55.4-56.9000113.7Q263 A264Q263-N267 PolarHBondContact O-N 3.05Å; Q263-N267 VanDerWaalsContact O-N 3.16Å; A264-N267 PolarHBondContact O-N 3.36Å
268H88.8Confident86.7Confident105 Ų10541.8 Ų41.849%0.48622%0.222SC..PPolyproline II helixtrans-90.4153.6170.2-63.3147.1000110.7Q263 Q266Q263-H268 HydrophobicContact CB-CB 4.18Å; Q263-H268 HydrophobicContact CG-CB 4.42Å; Q263-H268 PolarHBondContact O-N 3.16Å; Q266-H268 PolarHBondContact O-N 2.71Å; Q266-H268 PolarHBondContact OE1-ND1 3.03Å
269S88.2Confident86.8Confident47 Ų4743.1 Ų43.133%0.32923%0.23SC..PPolyproline II helixtrans-60.1143.3171.2-52.40000111.5T271 D325S269-T271 PolarHBondContact O-N 3.16Å; S269-D325 CarbonylContact C-O 3.55Å; S269-D325 WeakPolarHBondContact CA-O 3.27Å; S269-D325 VanDerWaalsContact CB-O 3.23Å; S269-D325 WeakPolarHBondContact CB-O 3.48Å
270I87.1Confident86.9Confident1 Ų142.7 Ų42.71%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-75.7124.4176.6-66.6176000108.9F260 V272 A318 C324 D325 I326 V327F260-I270 HydrophobicContact CD1-CG2 3.51Å; F260-I270 HydrophobicContact CD2-CG2 3.95Å; F260-I270 HydrophobicContact CE1-CG2 3.46Å; F260-I270 VanDerWaalsContact CE1-CG2 3.46Å; F260-I270 HydrophobicContact CE2-CG2 3.91Å; F260-I270 HydrophobicContact CG-CG2 3.77Å; F260-I270 HydrophobicContact CZ-CG2 3.65Å; I270-V272 HydrophobicContact CG2-CG2 4.34Å; I270-A318 HydrophobicContact CD1-CB 4.33Å; I270-A318 HydrophobicContact CG2-CB 4.17Å; I270-C324 HydrophobicContact CD1-CB 4.18Å; I270-C324 HydrophobicContact CG1-CB 4.1Å; I270-D325 PolarHBondContact N-O 3.02Å; I270-I326 WeakPolarHBondContact O-CA 3.48Å; I270-V327 PolarHBondContact O-N 2.81Å
271T88.6Confident87Confident20 Ų2042.5 Ų42.512%0.12323%0.226CC..EExtended strand (participates in β ladder)trans-89.9112.7179.3-510000111.3F260 Q263 S269 V327 Q329F260-T271 VanDerWaalsContact CE1-O 3.3Å; F260-T271 WeakPolarHBondContact CE1-O 3.22Å; Q263-T271 PolarHBondContact NE2-OG1 3.1Å; S269-T271 PolarHBondContact O-N 3.16Å; T271-V327 CarbonylContact C-O 3.53Å; T271-V327 WeakPolarHBondContact CA-O 3.39Å; T271-Q329 HydrophobicContact CG2-CB 4.18Å; T271-Q329 HydrophobicContact CG2-CG 3.69Å
272V85.9Confident87.2Confident0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-102.2123.7175.6174.80000109.6F260 I270 I314 I326 V327 F328 Q329F260-V272 HydrophobicContact CZ-CG2 4.08Å; I270-V272 HydrophobicContact CG2-CG2 4.34Å; V272-I314 HydrophobicContact CG1-CG2 4.2Å; V272-I314 HydrophobicContact CG2-CG2 4.34Å; V272-I326 HydrophobicContact CB-CG2 4.05Å; V272-I326 HydrophobicContact CG2-CG2 3.56Å; V272-V327 PolarHBondContact N-O 3.35Å; V272-F328 HydrophobicContact CB-CD1 3.95Å; V272-F328 HydrophobicContact CB-CE1 4.07Å; V272-F328 HydrophobicContact CG1-CD1 3.92Å; V272-F328 HydrophobicContact CG1-CE1 3.88Å; V272-F328 CarbonylContact O-C 3.56Å; V272-F328 VanDerWaalsContact O-CA 3.27Å; V272-F328 WeakPolarHBondContact O-CA 3.39Å; V272-Q329 PolarHBondContact O-N 3.02Å
273Y84.5Confident87.6Confident91 Ų9142.6 Ų42.636%0.35722%0.224SC..EExtended strand (participates in β ladder)trans-84.6134.5174.7-65.3-77.3000110.8Q329 E330Y273-Q329 CarbonylContact C-O 3.27Å; Y273-Q329 WeakPolarHBondContact CA-O 3.23Å; Y273-Q329 HydrophobicContact CD1-CB 3.76Å; Y273-Q329 HydrophobicContact CE1-CB 3.91Å; Y273-Q329 VanDerWaalsContact CE1-OE1 3.24Å; Y273-E330 VanDerWaalsContact CD1-O 3.31Å; Y273-E330 WeakPolarHBondContact CD1-O 3.34Å
274G84.4Confident88Confident20 Ų2041.8 Ų41.821%0.20622%0.22CC..THydrogen-bonded Turntrans70.6-145.9-173.700000112.3G276 F328 Q329 S331G274-G276 VanDerWaalsContact C-N 3.33Å; G274-F328 VanDerWaalsContact O-CD1 3.3Å; G274-F328 WeakPolarHBondContact O-CD1 3.2Å; G274-Q329 PolarHBondContact N-O 2.96Å; G274-S331 WeakPolarHBondContact CA-OG 3.23Å; G274-S331 PolarHBondContact N-OG 3.19Å
275T82.5Confident88.5Confident91 Ų9141.8 Ų41.856%0.55822%0.22SC*.THydrogen-bonded Turntrans-84.5-5.7-179.658.70000113.7N277T275-N277 PolarHBondContact O-N 3.13Å; T275-N277 WeakPolarHBondContact OG1-CB 3.15Å; T275-N277 PolarHBondContact OG1-N 3.24Å
276G80Confident89Confident0 Ų041.8 Ų41.80%022%0.224CC..SBendtrans78.3-6.1-170.900000115.1G274 H278 I314 L315G274-G276 VanDerWaalsContact C-N 3.33Å; G276-H278 PolarHBondContact O-N 3.47Å; G276-I314 PolarHBondContact O-N 2.64Å; G276-L315 PolarHBondContact O-N 3.36Å
277N84.6Confident89.6Confident113 Ų11337.5 Ų37.560%0.60420%0.204SC*.  trans-76.6-8.8177.2-67.6-16.5000113.5T275 T279T275-N277 PolarHBondContact O-N 3.13Å; T275-N277 WeakPolarHBondContact OG1-CB 3.15Å; T275-N277 PolarHBondContact OG1-N 3.24Å; N277-T279 PolarHBondContact O-N 2.99Å
278H87.1Confident90.2Very high33 Ų3331.1 Ų31.115%0.15317%0.17CC..  trans-58.4142.5171.6-68.6179.8000109.4G276 T313 I314 R337G276-H278 PolarHBondContact O-N 3.47Å; H278-T313 WeakPolarHBondContact O-CA 3.27Å; H278-I314 HydrophobicContact CB-CG1 4.29Å; H278-I314 WeakPolarHBondContact O-CG1 3.29Å; H278-I314 PolarHBondContact O-N 2.93Å; H278-R337 VanDerWaalsContact CA-O 3.26Å; H278-R337 WeakPolarHBondContact CA-O 3.15Å; H278-R337 WeakPolarHBondContact CB-O 3.2Å
279T88.4Confident90.7Very high28 Ų2826.4 Ų26.417%0.17215%0.148CC..EExtended strand (participates in β ladder)trans-110.3146.1-17858.70000111.1N277 E311 R312 T313 R337 Q338 R339N277-T279 PolarHBondContact O-N 2.99Å; T279-E311 VanDerWaalsContact CB-OE1 3.24Å; T279-E311 WeakPolarHBondContact CB-OE1 3.44Å; T279-E311 HydrophobicContact CG2-CG 4.28Å; T279-E311 PolarHBondContact OG1-OE1 2.94Å; T279-R312 CarbonylContact C-O 3.45Å; T279-R312 VanDerWaalsContact CA-O 3.27Å; T279-R312 WeakPolarHBondContact CA-O 3.3Å; T279-T313 HydrophobicContact CG2-CG2 4.12Å; T279-R337 PolarHBondContact N-O 2.98Å; T279-R337 VanDerWaalsContact N-O 3.11Å; T279-Q338 WeakPolarHBondContact OG1-CA 3.38Å; T279-Q338 WeakPolarHBondContact OG1-CB 3.45Å; T279-R339 PolarHBondContact O-N 3.35Å
280R90Very high91.2Very high19 Ų1926.5 Ų26.57%0.07215%0.145CC..EExtended strand (participates in β ladder)trans-141.7149.6175.3-64.4-64.1-175.7-94.32.2109.7F282 R312 I314 D335 P336 R337R280-F282 HydrophobicContact CB-CD2 4.47Å; R280-F282 HydrophobicContact CB-CE1 4.18Å; R280-F282 HydrophobicContact CB-CE2 3.74Å; R280-F282 HydrophobicContact CB-CZ 3.57Å; R280-F282 HydrophobicContact CG-CZ 4.17Å; R280-R312 PolarHBondContact N-O 3.5Å; R280-R312 PolarHBondContact O-N 2.92Å; R280-I314 HydrophobicContact CB-CD1 4.2Å; R280-I314 HydrophobicContact CG-CD1 3.6Å; R280-D335 IonicContact NH2-OD1 3.49Å; R280-D335 IonicContact NH2-OD2 2.71Å; R280-D335 PolarHBondContact NH2-OD2 2.84Å; R280-P336 PolarHBondContact NH1-O 3.3Å; R280-P336 PolarHBondContact NH2-O 3.16Å; R280-R337 PolarHBondContact NH1-O 3.12Å
281S92.2Very high91.7Very high1 Ų126.4 Ų26.41%0.00715%0.145CC..EExtended strand (participates in β ladder)trans-99.5143.2162.639.10000109.9N243 N308 D310 R339 P341N243-S281 WeakPolarHBondContact CB-O 3.48Å; S281-N308 WeakPolarHBondContact CB-O 3.45Å; S281-D310 WeakPolarHBondContact CA-O 3.39Å; S281-R339 PolarHBondContact N-O 2.85Å; S281-R339 VanDerWaalsContact N-O 3.13Å; S281-R339 PolarHBondContact OG-O 2.9Å; S281-P341 VanDerWaalsContact OG-CD 3.3Å; S281-P341 WeakPolarHBondContact OG-CD 3.29Å
282F93.1Very high92.2Very high12 Ų1225.5 Ų25.55%0.05314%0.139CC..  trans-127.7124.7178.2-60.9-74.8000110.8N243 F245 V256 V257 R280 N308 F317 L358N243-F282 HydrophobicContact CB-CD1 3.97Å; N243-F282 HydrophobicContact CB-CE1 4.29Å; F245-F282 HydrophobicContact CD1-CB 3.87Å; F245-F282 HydrophobicContact CE1-CB 3.87Å; V256-F282 HydrophobicContact CB-CE1 4.48Å; V256-F282 HydrophobicContact CB-CZ 4.21Å; V256-F282 HydrophobicContact CG1-CZ 4.11Å; V257-F282 HydrophobicContact CG2-CD1 3.52Å; V257-F282 HydrophobicContact CG2-CE1 3.49Å; V257-F282 VanDerWaalsContact CG2-CE1 3.49Å; V257-F282 HydrophobicContact CG2-CG 4.27Å; V257-F282 HydrophobicContact CG2-CZ 4.2Å; R280-F282 HydrophobicContact CB-CD2 4.47Å; R280-F282 HydrophobicContact CB-CE1 4.18Å; R280-F282 HydrophobicContact CB-CE2 3.74Å; R280-F282 HydrophobicContact CB-CZ 3.57Å; R280-F282 HydrophobicContact CG-CZ 4.17Å; F282-N308 WeakPolarHBondContact O-CB 3.43Å; F282-N308 PolarHBondContact O-ND2 3.49Å; F282-N308 VanDerWaalsContact O-ND2 3.13Å; F282-F317 AromaticContact CD2-CD2 3.8Å; F282-F317 HydrophobicContact CD2-CD2 3.8Å; F282-F317 AromaticContact CD2-CE2 3.96Å; F282-F317 HydrophobicContact CD2-CE2 3.96Å; F282-F317 HydrophobicContact CE2-CB 4.4Å; F282-F317 AromaticContact CE2-CD2 3.67Å; F282-F317 HydrophobicContact CE2-CD2 3.67Å; F282-F317 HydrophobicContact CE2-CE2 4.07Å; F282-F317 AromaticContact CE2-CG 3.93Å; F282-F317 HydrophobicContact CE2-CG 3.93Å; F282-F317 HydrophobicContact CG-CE2 4.45Å; F282-F317 HydrophobicContact CZ-CD2 4.48Å; F282-L358 HydrophobicContact CB-CD1 3.86Å
283Q96.2Very high92.8Very high1 Ų126.4 Ų26.41%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-106138.5177.7173.8169.6-8600110.6N243 T244 F245 D287 G307 N308 W352N243-Q283 PolarHBondContact O-N 3.02Å; T244-Q283 CarbonylContact C-O 3.55Å; T244-Q283 WeakPolarHBondContact CA-O 3.39Å; F245-Q283 WeakPolarHBondContact CD1-O 3.34Å; F245-Q283 PolarHBondContact N-O 3.26Å; Q283-D287 HydrophobicContact CG-CB 4.04Å; Q283-G307 PolarHBondContact OE1-O 3.32Å; Q283-N308 HydrophobicContact CB-CB 4.23Å; Q283-W352 VanDerWaalsContact OE1-CZ2 3.23Å
284Y98Very high93.5Very high19 Ų1923.6 Ų23.68%0.07514%0.14CC..EExtended strand (participates in β ladder)trans-78.3148.2173.9-168.7-111.3000111.7F245 P247 S286 D287 L288 V356 G361 M364F245-Y284 HydrophobicContact CD2-CD2 4.36Å; F245-Y284 AromaticContact CE2-CD2 3.93Å; F245-Y284 HydrophobicContact CE2-CD2 3.93Å; F245-Y284 HydrophobicContact CZ-CD2 4.01Å; P247-Y284 WeakPolarHBondContact CD-OH 3.22Å; Y284-S286 VanDerWaalsContact C-N 3.33Å; Y284-S286 VanDerWaalsContact CD1-OG 3.28Å; Y284-S286 WeakPolarHBondContact CD1-OG 3.21Å; Y284-S286 PolarHBondContact O-N 3.34Å; Y284-D287 WeakPolarHBondContact O-CB 3.48Å; Y284-D287 PolarHBondContact O-N 2.87Å; Y284-D287 VanDerWaalsContact O-N 3.12Å; Y284-L288 PolarHBondContact O-N 2.9Å; Y284-V356 HydrophobicContact CD1-CB 3.95Å; Y284-V356 HydrophobicContact CD1-CG1 3.77Å; Y284-V356 HydrophobicContact CD1-CG2 3.83Å; Y284-V356 HydrophobicContact CE1-CG1 4.46Å; Y284-V356 HydrophobicContact CG-CB 4.11Å; Y284-V356 HydrophobicContact CG-CG1 3.81Å; Y284-V356 HydrophobicContact CG-CG2 4.48Å; Y284-G361 WeakPolarHBondContact CE2-O 3.42Å; Y284-M364 HydrophobicContact CD1-CE 4.21Å; Y284-M364 HydrophobicContact CE1-CE 3.53Å; Y284-M364 HydrophobicContact CE2-CE 3.87Å; Y284-M364 WeakPolarHBondContact OH-CE 3.27Å
285I98.4Very high94.2Very high2 Ų222.6 Ų22.61%0.0113%0.13CC..Hα-helixtrans-59.4-35.3-171.2-173.654.8000114.9F82 V83 H86 T244 F245 D287 L288 V289F82-I285 HydrophobicContact CE1-CD1 4.24Å; F82-I285 HydrophobicContact CE2-CB 3.92Å; F82-I285 HydrophobicContact CE2-CD1 3.98Å; F82-I285 HydrophobicContact CE2-CG1 3.68Å; F82-I285 HydrophobicContact CE2-CG2 4.37Å; F82-I285 HydrophobicContact CZ-CB 3.74Å; F82-I285 HydrophobicContact CZ-CD1 3.79Å; F82-I285 HydrophobicContact CZ-CG1 3.8Å; V83-I285 HydrophobicContact CB-CD1 4.32Å; V83-I285 HydrophobicContact CG1-CD1 4.32Å; V83-I285 HydrophobicContact CG2-CD1 4.01Å; H86-I285 HydrophobicContact CB-CD1 4.41Å; H86-I285 HydrophobicContact CB-CG1 3.86Å; H86-I285 VanDerWaalsContact CD2-CG1 3.45Å; H86-I285 WeakPolarHBondContact CD2-CG1 3.44Å; T244-I285 HydrophobicContact CG2-CB 4.22Å; T244-I285 HydrophobicContact CG2-CD1 3.86Å; F245-I285 PolarHBondContact O-N 3.42Å; I285-D287 VanDerWaalsContact C-N 3.32Å; I285-D287 PolarHBondContact O-N 3.46Å; I285-L288 HydrophobicContact CD1-CB 4.45Å; I285-L288 HydrophobicContact CD1-CD2 4.19Å; I285-L288 WeakPolarHBondContact O-CB 3.49Å; I285-L288 PolarHBondContact O-N 2.82Å; I285-V289 HydrophobicContact CD1-CG2 4.44Å; I285-V289 WeakPolarHBondContact O-CG2 3.43Å; I285-V289 PolarHBondContact O-N 3.48Å
286S98.4Very high95Very high48 Ų4818.3 Ų18.334%0.33610%0.103SC..Hα-helixtrans-65.1-38.2178.362.20000111.9Y284 L288 V289 D290Y284-S286 VanDerWaalsContact C-N 3.33Å; Y284-S286 VanDerWaalsContact CD1-OG 3.28Å; Y284-S286 WeakPolarHBondContact CD1-OG 3.21Å; Y284-S286 PolarHBondContact O-N 3.34Å; S286-L288 VanDerWaalsContact C-N 3.32Å; S286-L288 PolarHBondContact O-N 2.96Å; S286-V289 PolarHBondContact O-N 2.95Å; S286-D290 PolarHBondContact O-N 3.05Å
287D98.7Very high95.8Very high2 Ų223.2 Ų23.21%0.01113%0.127CC..Hα-helixtrans-65.7-38.4177.6-68.1-32.9000110.9Q283 Y284 I285 G291 W352 P354 K355 V356Q283-D287 HydrophobicContact CG-CB 4.04Å; Y284-D287 WeakPolarHBondContact O-CB 3.48Å; Y284-D287 PolarHBondContact O-N 2.87Å; Y284-D287 VanDerWaalsContact O-N 3.12Å; I285-D287 VanDerWaalsContact C-N 3.32Å; I285-D287 PolarHBondContact O-N 3.46Å; D287-G291 PolarHBondContact O-N 3.36Å; D287-W352 HydrophobicContact CB-CZ2 4.35Å; D287-W352 WeakPolarHBondContact O-CZ2 3.26Å; D287-W352 PolarHBondContact O-NE1 3.11Å; D287-P354 HydrophobicContact CB-CB 4.26Å; D287-P354 WeakPolarHBondContact OD2-CA 3.41Å; D287-K355 PolarHBondContact OD1-N 2.94Å; D287-K355 PolarHBondContact OD2-N 2.99Å; D287-V356 PolarHBondContact OD2-N 3.18Å
288L98.8Very high96.5Very high0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-60.7-48172.9178.258.5000111.3V83 I241 T244 Y284 I285 S286 D290 G291 L292 L306V83-L288 HydrophobicContact CB-CD2 4.35Å; V83-L288 HydrophobicContact CG1-CD2 3.62Å; V83-L288 HydrophobicContact CG1-CG 4.35Å; V83-L288 HydrophobicContact CG2-CD2 3.71Å; I241-L288 HydrophobicContact CB-CD1 4.44Å; I241-L288 HydrophobicContact CD1-CD1 4.09Å; I241-L288 HydrophobicContact CD1-CD2 4.3Å; I241-L288 HydrophobicContact CG1-CD1 3.9Å; I241-L288 HydrophobicContact CG2-CD1 3.86Å; I241-L288 HydrophobicContact CG2-CD2 3.83Å; T244-L288 HydrophobicContact CG2-CB 3.97Å; T244-L288 HydrophobicContact CG2-CD2 3.75Å; Y284-L288 PolarHBondContact O-N 2.9Å; I285-L288 HydrophobicContact CD1-CB 4.45Å; I285-L288 HydrophobicContact CD1-CD2 4.19Å; I285-L288 WeakPolarHBondContact O-CB 3.49Å; I285-L288 PolarHBondContact O-N 2.82Å; S286-L288 VanDerWaalsContact C-N 3.32Å; S286-L288 PolarHBondContact O-N 2.96Å; L288-D290 PolarHBondContact O-N 3.05Å; L288-G291 PolarHBondContact O-N 3.45Å; L288-G291 VanDerWaalsContact O-N 3.12Å; L288-L292 HydrophobicContact CD1-CD1 4.26Å; L288-L292 HydrophobicContact CD1-CD2 4.39Å; L288-L292 HydrophobicContact CD1-CG 4.02Å; L288-L292 HydrophobicContact CG-CD1 4.04Å; L288-L292 HydrophobicContact CG-CG 4.25Å; L288-L292 WeakPolarHBondContact O-CG 3.48Å; L288-L292 PolarHBondContact O-N 3.35Å; L288-L306 HydrophobicContact CD1-CB 4.13Å; L288-L306 HydrophobicContact CD1-CD1 4.17Å
289V98.8Very high97Very high6 Ų623.8 Ų23.84%0.03613%0.132CC..Hα-helixtrans-61.4-45.5-179.1172.50000110.9H86 L87 Y90 I285 S286 G291 L292 V293H86-V289 HydrophobicContact CB-CG2 3.84Å; L87-V289 HydrophobicContact CD1-CG1 4.18Å; Y90-V289 HydrophobicContact CD2-CG1 3.92Å; Y90-V289 HydrophobicContact CG-CG1 3.88Å; I285-V289 HydrophobicContact CD1-CG2 4.44Å; I285-V289 WeakPolarHBondContact O-CG2 3.43Å; I285-V289 PolarHBondContact O-N 3.48Å; S286-V289 PolarHBondContact O-N 2.95Å; V289-G291 PolarHBondContact O-N 3Å; V289-L292 PolarHBondContact O-N 3.06Å; V289-V293 HydrophobicContact CG1-CG2 4.44Å; V289-V293 WeakPolarHBondContact O-CG2 3.27Å; V289-V293 PolarHBondContact O-N 3.02Å
290D98.7Very high97.5Very high49 Ų4923.3 Ų23.326%0.26213%0.129SC..Hα-helixtrans-54.2-43.6173.3-83.23.6000111.1S286 L288 A294 K355S286-D290 PolarHBondContact O-N 3.05Å; L288-D290 PolarHBondContact O-N 3.05Å; D290-A294 VanDerWaalsContact O-CB 3.27Å; D290-A294 WeakPolarHBondContact O-CB 3.2Å; D290-A294 PolarHBondContact O-N 2.89Å; D290-K355 IonicContact OD2-NZ 3.49Å; D290-K355 PolarHBondContact OD2-NZ 3.36Å
291G98.8Very high97.9Very high0 Ų024.1 Ų24.10%014%0.136CC..Hα-helixtrans-69-39.9-179.500000113.3D287 L288 V289 L295 W352D287-G291 PolarHBondContact O-N 3.36Å; L288-G291 PolarHBondContact O-N 3.45Å; L288-G291 VanDerWaalsContact O-N 3.12Å; V289-G291 PolarHBondContact O-N 3Å; G291-L295 VanDerWaalsContact O-CB 3.32Å; G291-L295 WeakPolarHBondContact O-CB 3.36Å; G291-L295 PolarHBondContact O-N 2.91Å; G291-W352 VanDerWaalsContact CA-NE1 3.26Å; G291-W352 VanDerWaalsContact N-NE1 3.11Å
292L98.9Very high98.1Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-64-43.6176-69.6175.1000111.5V83 Y140 L181 A239 I241 L288 V289 M296 L306V83-L292 HydrophobicContact CG1-CD1 3.83Å; Y140-L292 HydrophobicContact CE1-CB 4.33Å; L181-L292 HydrophobicContact CD1-CD2 4.38Å; L181-L292 WeakPolarHBondContact CD1-O 3.5Å; L181-L292 HydrophobicContact CD2-CD2 3.83Å; A239-L292 HydrophobicContact CB-CD2 3.66Å; I241-L292 HydrophobicContact CD1-CD2 4.21Å; L288-L292 HydrophobicContact CD1-CD1 4.26Å; L288-L292 HydrophobicContact CD1-CD2 4.39Å; L288-L292 HydrophobicContact CD1-CG 4.02Å; L288-L292 HydrophobicContact CG-CD1 4.04Å; L288-L292 HydrophobicContact CG-CG 4.25Å; L288-L292 WeakPolarHBondContact O-CG 3.48Å; L288-L292 PolarHBondContact O-N 3.35Å; V289-L292 PolarHBondContact O-N 3.06Å; L292-M296 WeakPolarHBondContact O-CB 3.49Å; L292-M296 PolarHBondContact O-N 3.35Å; L292-L306 HydrophobicContact CD2-CD1 3.95Å; L292-L306 HydrophobicContact CG-CD1 4.3Å
293V98.8Very high98.4Very high20 Ų2029.5 Ų29.512%0.12116%0.163CC..Hα-helixtrans-67.5-45.3178.1174.10000110.7L87 Y90 V289 L295 M296 E297L87-V293 HydrophobicContact CD1-CG2 3.93Å; Y90-V293 HydrophobicContact CD1-CG2 3.72Å; Y90-V293 HydrophobicContact CE1-CB 4.21Å; Y90-V293 HydrophobicContact CE1-CG1 3.75Å; Y90-V293 HydrophobicContact CE1-CG2 3.62Å; Y90-V293 HydrophobicContact CG-CG2 4.34Å; V289-V293 HydrophobicContact CG1-CG2 4.44Å; V289-V293 WeakPolarHBondContact O-CG2 3.27Å; V289-V293 PolarHBondContact O-N 3.02Å; V293-L295 VanDerWaalsContact C-N 3.33Å; V293-L295 PolarHBondContact O-N 3.32Å; V293-M296 PolarHBondContact O-N 2.96Å; V293-E297 PolarHBondContact O-N 2.73Å
294A98.8Very high98.5Very high31 Ų3129.4 Ų29.426%0.25616%0.163SC..Hα-helixtrans-59.6-43.4176.600000111.7D290 E297 S298 L350D290-A294 VanDerWaalsContact O-CB 3.27Å; D290-A294 WeakPolarHBondContact O-CB 3.2Å; D290-A294 PolarHBondContact O-N 2.89Å; A294-E297 PolarHBondContact O-N 2.88Å; A294-S298 WeakPolarHBondContact O-CB 3.12Å; A294-S298 PolarHBondContact O-N 2.88Å; A294-L350 HydrophobicContact CB-CB 4.19Å
295L98.9Very high98.6Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-64.7-45.1176-178.361.1000111.9L181 R237 A239 G291 V293 E297 S298 V300 V304 L350L181-L295 HydrophobicContact CD1-CB 4.17Å; L181-L295 HydrophobicContact CD1-CD2 3.98Å; L181-L295 HydrophobicContact CD1-CG 4.1Å; R237-L295 HydrophobicContact CB-CD2 4.18Å; R237-L295 HydrophobicContact CB-CG 3.96Å; R237-L295 WeakPolarHBondContact CD-O 3.27Å; R237-L295 HydrophobicContact CG-CG 4.28Å; R237-L295 PolarHBondContact NE-O 3.22Å; A239-L295 HydrophobicContact CB-CD2 3.83Å; G291-L295 VanDerWaalsContact O-CB 3.32Å; G291-L295 WeakPolarHBondContact O-CB 3.36Å; G291-L295 PolarHBondContact O-N 2.91Å; V293-L295 VanDerWaalsContact C-N 3.33Å; V293-L295 PolarHBondContact O-N 3.32Å; L295-E297 VanDerWaalsContact C-N 3.27Å; L295-E297 PolarHBondContact O-N 2.93Å; L295-S298 PolarHBondContact O-N 3.29Å; L295-S298 PolarHBondContact O-OG 2.96Å; L295-V300 HydrophobicContact CD1-CB 4.2Å; L295-V304 HydrophobicContact CD1-CB 4.3Å; L295-V304 HydrophobicContact CD1-CG2 3.78Å; L295-V304 HydrophobicContact CD2-CB 4.38Å; L295-L350 HydrophobicContact CB-CD1 3.84Å; L295-L350 HydrophobicContact CB-CD2 4.47Å; L295-L350 HydrophobicContact CD1-CD1 4.13Å; L295-L350 HydrophobicContact CD1-CD2 4.07Å
296M98.8Very high98.6Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-54.8-43.5177.3-179.462.58200111.8I139 Y140 R179 L181 L292 V293I139-M296 WeakPolarHBondContact O-CE 3.26Å; Y140-M296 HydrophobicContact CD1-CE 3.65Å; Y140-M296 HydrophobicContact CD2-CE 3.68Å; Y140-M296 HydrophobicContact CE1-CB 3.83Å; Y140-M296 HydrophobicContact CE1-CE 3.56Å; Y140-M296 HydrophobicContact CE1-CG 4.19Å; Y140-M296 HydrophobicContact CE2-CE 3.57Å; Y140-M296 HydrophobicContact CE2-CG 4.18Å; Y140-M296 HydrophobicContact CG-CE 3.72Å; Y140-M296 WeakPolarHBondContact OH-CB 3.49Å; Y140-M296 WeakPolarHBondContact OH-CG 3.33Å; R179-M296 HydrophobicContact CB-SD 4.36Å; R179-M296 WeakPolarHBondContact CD-O 3.48Å; R179-M296 HydrophobicContact CG-SD 3.75Å; R179-M296 PolarHBondContact NH1-O 2.84Å; L181-M296 HydrophobicContact CB-CE 3.41Å; L181-M296 VanDerWaalsContact CB-CE 3.41Å; L181-M296 HydrophobicContact CB-SD 4.29Å; L181-M296 HydrophobicContact CD1-CB 4.23Å; L181-M296 HydrophobicContact CD1-CE 4.48Å; L292-M296 WeakPolarHBondContact O-CB 3.49Å; L292-M296 PolarHBondContact O-N 3.35Å; V293-M296 PolarHBondContact O-N 2.96Å
297E98.3Very high98.5Very high104 Ų10426.1 Ų26.149%0.48614%0.143SC..Hα-helixtrans-88.6-11.3-176.1-61.7-52.9134.100114.2R138 V293 A294 L295R138-E297 IonicContact NE-OE1 3.58Å; R138-E297 PolarHBondContact NE-OE1 3.43Å; R138-E297 IonicContact NH2-OE2 3.43Å; V293-E297 PolarHBondContact O-N 2.73Å; A294-E297 PolarHBondContact O-N 2.88Å; L295-E297 VanDerWaalsContact C-N 3.27Å; L295-E297 PolarHBondContact O-N 2.93Å
298S98.4Very high98.5Very high18 Ų1827 Ų2713%0.12615%0.147CC..SBendtrans-68177.5171.979.60000113.1R179 R237 A294 L295 V300R179-S298 PolarHBondContact NH1-O 2.9Å; R237-S298 VanDerWaalsContact CZ-O 3.3Å; R237-S298 PolarHBondContact NE-O 3.43Å; R237-S298 PolarHBondContact NH2-O 3.05Å; A294-S298 WeakPolarHBondContact O-CB 3.12Å; A294-S298 PolarHBondContact O-N 2.88Å; L295-S298 PolarHBondContact O-N 3.29Å; L295-S298 PolarHBondContact O-OG 2.96Å; S298-V300 PolarHBondContact OG-N 3.07Å
299N97.8Very high98.3Very high140 Ų14028.9 Ų28.975%0.74916%0.16SC*.  trans-101.38.7169.5-68.8-33.2000113.7
300V98.4Very high98.1Very high17 Ų1731.4 Ų31.410%0.10317%0.173CC..  trans-77.8123.6-174.4-177.50000110.2R237 L295 S298 V304 L349 L350R237-V300 WeakPolarHBondContact CD-O 3.39Å; R237-V300 PolarHBondContact NE-O 3.24Å; R237-V300 VanDerWaalsContact NE-O 3.15Å; L295-V300 HydrophobicContact CD1-CB 4.2Å; S298-V300 PolarHBondContact OG-N 3.07Å; V300-V304 HydrophobicContact CG1-CG2 3.82Å; V300-L349 HydrophobicContact CG1-CD1 4.03Å; V300-L349 HydrophobicContact CG2-CB 3.67Å; V300-L349 HydrophobicContact CG2-CD1 3.8Å; V300-L349 HydrophobicContact CG2-CG 4.33Å; V300-L350 HydrophobicContact CG2-CD2 4.12Å
301T98Very high97.7Very high36 Ų3630.9 Ų30.922%0.22117%0.169CC..  trans-100.5-17.2179.451.30000113.7
302E98Very high97.3Very high104 Ų10435.4 Ų35.449%0.48619%0.186SC..SBendtrans-82154.9-176-63.387.9125.600110.3V304E302-V304 PolarHBondContact O-N 3.18Å
303P98.6Very high96.8Very high22 Ų2236.9 Ų36.914%0.14320%0.195CC..  trans-54.9141.4177.2-25.634.3000112.4E199 I238 R240 R345E199-P303 WeakPolarHBondContact CG-O 3.28Å; I238-P303 HydrophobicContact CB-CB 4.34Å; I238-P303 HydrophobicContact CB-CG 4.34Å; I238-P303 HydrophobicContact CD1-CG 4.23Å; I238-P303 HydrophobicContact CG2-CB 4.02Å; I238-P303 HydrophobicContact CG2-CG 4.14Å; I238-P303 WeakPolarHBondContact O-CA 3.22Å; R240-P303 HydrophobicContact CG-CB 4.43Å; P303-R345 WeakPolarHBondContact O-CD 3.31Å; P303-R345 PolarHBondContact O-NH1 3.14Å
304V98.9Very high96.2Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-128.5127.8175.4-178.50000109.5I238 R240 L295 V300 E302 L306 R345 A346 L350I238-V304 PolarHBondContact O-N 3.5Å; R240-V304 PolarHBondContact N-O 2.95Å; L295-V304 HydrophobicContact CD1-CB 4.3Å; L295-V304 HydrophobicContact CD1-CG2 3.78Å; L295-V304 HydrophobicContact CD2-CB 4.38Å; V300-V304 HydrophobicContact CG1-CG2 3.82Å; E302-V304 PolarHBondContact O-N 3.18Å; V304-L306 HydrophobicContact CG1-CD2 4.26Å; V304-R345 HydrophobicContact CG2-CG 4.26Å; V304-A346 HydrophobicContact CG1-CB 3.59Å; V304-L350 HydrophobicContact CG1-CD1 3.98Å
305N98.8Very high95.4Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-71.4125.1171.5-73.7-25.8000110.3Y189 Q197 E199 F242 P341 D342Y189-N305 PolarHBondContact OH-ND2 2.75Å; Y189-N305 PolarHBondContact OH-OD1 2.94Å; Q197-N305 PolarHBondContact O-ND2 2.62Å; E199-N305 HydrophobicContact CG-CB 4.31Å; E199-N305 WeakPolarHBondContact OE1-CB 3.44Å; E199-N305 PolarHBondContact OE1-N 3.46Å; F242-N305 HydrophobicContact CE2-CB 4Å; F242-N305 WeakPolarHBondContact CE2-OD1 3.24Å; N305-P341 HydrophobicContact CB-CB 4.25Å; N305-D342 WeakPolarHBondContact CB-O 3.46Å; N305-D342 PolarHBondContact ND2-O 2.89Å
306L98.7Very high94.7Very high0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-116.9106171-62.8-178.1000108.8A239 R240 F242 L288 L292 V304 A346 L350 W352A239-L306 HydrophobicContact CB-CD1 3.93Å; R240-L306 PolarHBondContact O-N 3.24Å; F242-L306 PolarHBondContact N-O 3.09Å; L288-L306 HydrophobicContact CD1-CB 4.13Å; L288-L306 HydrophobicContact CD1-CD1 4.17Å; L292-L306 HydrophobicContact CD2-CD1 3.95Å; L292-L306 HydrophobicContact CG-CD1 4.3Å; V304-L306 HydrophobicContact CG1-CD2 4.26Å; L306-A346 HydrophobicContact CD2-CB 4.24Å; L306-L350 HydrophobicContact CD2-CD1 4.43Å; L306-W352 HydrophobicContact CB-CH2 4.48Å; L306-W352 HydrophobicContact CD2-CD2 4.14Å; L306-W352 HydrophobicContact CD2-CE3 3.93Å; L306-W352 HydrophobicContact CD2-CH2 4.27Å; L306-W352 HydrophobicContact CD2-CZ2 4.46Å; L306-W352 HydrophobicContact CD2-CZ3 4Å
307G97.6Very high93.9Very high0 Ų042.5 Ų42.50%022%0.217CC..SBendtrans-169.2-180-179.100000112.3Q283 I343 W352Q283-G307 PolarHBondContact OE1-O 3.32Å; G307-I343 WeakPolarHBondContact O-CG2 3.46Å; G307-W352 WeakPolarHBondContact O-CH2 3.48Å
308N96.9Very high93.1Very high19 Ų1937.6 Ų37.610%0.10219%0.194CC..  trans-98.1123.7175.9-169.9-10.8000110S281 F282 Q283 D310 P341 P354S281-N308 WeakPolarHBondContact CB-O 3.45Å; F282-N308 WeakPolarHBondContact O-CB 3.43Å; F282-N308 PolarHBondContact O-ND2 3.49Å; F282-N308 VanDerWaalsContact O-ND2 3.13Å; Q283-N308 HydrophobicContact CB-CB 4.23Å; N308-D310 PolarHBondContact O-N 3.25Å; N308-D310 WeakPolarHBondContact OD1-CB 3.24Å; N308-D310 PolarHBondContact OD1-N 2.77Å; N308-P341 WeakPolarHBondContact O-CD 3.09Å; N308-P341 WeakPolarHBondContact O-CG 3.46Å; N308-P354 HydrophobicContact CB-CB 4.5Å; N308-P354 HydrophobicContact CB-CG 4.25Å
309P96Very high92.1Very high40 Ų4041.8 Ų41.826%0.2621%0.214SC..SBendtrans-73.2-6.1177.132.3-37.8000112.9E311 R340 I343P309-E311 PolarHBondContact O-N 3.2Å; P309-R340 PolarHBondContact O-NE 3.4Å; P309-I343 HydrophobicContact CB-CG1 4.36Å; P309-I343 HydrophobicContact CG-CD1 3.81Å; P309-I343 HydrophobicContact CG-CG1 4.08Å
310D93.8Very high91.1Very high60 Ų6038.3 Ų38.332%0.32120%0.198SC..  trans-72.9103.1173-164.733.9000110.4S281 N308 R312S281-D310 WeakPolarHBondContact CA-O 3.39Å; N308-D310 PolarHBondContact O-N 3.25Å; N308-D310 WeakPolarHBondContact OD1-CB 3.24Å; N308-D310 PolarHBondContact OD1-N 2.77Å; D310-R312 IonicContact OD1-CZ 2.77Å; D310-R312 IonicContact OD1-NH1 3.64Å; D310-R312 PolarHBondContact OD1-NH1 2.88Å; D310-R312 IonicContact OD1-NH2 3.62Å; D310-R312 PolarHBondContact OD1-NH2 3.48Å; D310-R312 IonicContact OD2-CZ 3.41Å; D310-R312 IonicContact OD2-NH1 3.15Å; D310-R312 IonicContact OD2-NH2 3.28Å; D310-R312 PolarHBondContact OD2-NH2 3.18Å
311E91.5Very high89.9Confident38 Ų3838.4 Ų38.418%0.17820%0.199CC..EExtended strand (participates in β ladder)trans-100.3138.9-178.9-176.3173.1-129.400110.5H195 T279 P309 R339 R340H195-E311 IonicContact CE1-OE1 2.63Å; H195-E311 PolarHBondContact CE1-OE1 2.7Å; H195-E311 IonicContact CE1-OE2 2.83Å; H195-E311 PolarHBondContact CE1-OE2 2.94Å; H195-E311 IonicContact NE2-OE2 3.08Å; H195-E311 PolarHBondContact NE2-OE2 3.07Å; T279-E311 VanDerWaalsContact CB-OE1 3.24Å; T279-E311 WeakPolarHBondContact CB-OE1 3.44Å; T279-E311 HydrophobicContact CG2-CG 4.28Å; T279-E311 PolarHBondContact OG1-OE1 2.94Å; P309-E311 PolarHBondContact O-N 3.2Å; E311-R339 PolarHBondContact OE1-N 3.47Å; E311-R340 HydrophobicContact CB-CB 4.32Å; E311-R340 HydrophobicContact CB-CG 4.12Å
312R89.5Confident88.5Confident94 Ų9440.3 Ų40.336%0.35521%0.205SC..EExtended strand (participates in β ladder)trans-135.5153.6179.5-66.7-69-178.7-81.3-12.7110.1T279 R280 D310 E316T279-R312 CarbonylContact C-O 3.45Å; T279-R312 VanDerWaalsContact CA-O 3.27Å; T279-R312 WeakPolarHBondContact CA-O 3.3Å; R280-R312 PolarHBondContact N-O 3.5Å; R280-R312 PolarHBondContact O-N 2.92Å; D310-R312 IonicContact OD1-CZ 2.77Å; D310-R312 IonicContact OD1-NH1 3.64Å; D310-R312 PolarHBondContact OD1-NH1 2.88Å; D310-R312 IonicContact OD1-NH2 3.62Å; D310-R312 PolarHBondContact OD1-NH2 3.48Å; D310-R312 IonicContact OD2-CZ 3.41Å; D310-R312 IonicContact OD2-NH1 3.15Å; D310-R312 IonicContact OD2-NH2 3.28Å; D310-R312 PolarHBondContact OD2-NH2 3.18Å; R312-E316 VanDerWaalsContact CA-OE2 3.32Å; R312-E316 WeakPolarHBondContact CA-OE2 3.42Å; R312-E316 HydrophobicContact CB-CB 4.47Å; R312-E316 WeakPolarHBondContact CB-OE2 3.44Å; R312-E316 VanDerWaalsContact CD-OE2 3.24Å; R312-E316 WeakPolarHBondContact CD-OE2 2.87Å
313T88.2Confident87Confident31 Ų3142.5 Ų42.519%0.1922%0.22CC..EExtended strand (participates in β ladder)trans-70.4155.8168.767.70000110.4H278 T279 L315 E316 F317H278-T313 WeakPolarHBondContact O-CA 3.27Å; T279-T313 HydrophobicContact CG2-CG2 4.12Å; T313-L315 PolarHBondContact O-N 3.31Å; T313-E316 PolarHBondContact N-OE2 2.97Å; T313-E316 PolarHBondContact O-N 2.78Å; T313-E316 WeakPolarHBondContact OG1-CB 3.33Å; T313-E316 WeakPolarHBondContact OG1-CG 3.34Å; T313-E316 PolarHBondContact OG1-N 2.87Å; T313-E316 PolarHBondContact OG1-OE2 3.41Å; T313-F317 PolarHBondContact O-N 3.37Å; T313-F317 VanDerWaalsContact O-N 3.09Å
314I85.7Confident85.6Confident12 Ų1242.8 Ų42.86%0.06222%0.223CC..Hα-helixtrans-60.8-34.5172.7-62.4-48000110.9V256 F260 V272 G276 H278 R280 F317 A318V256-I314 HydrophobicContact CB-CD1 4.47Å; V256-I314 HydrophobicContact CG1-CD1 4.03Å; V256-I314 HydrophobicContact CG1-CG2 4.35Å; V256-I314 HydrophobicContact CG2-CD1 3.79Å; F260-I314 HydrophobicContact CE2-CG2 3.87Å; F260-I314 HydrophobicContact CZ-CG2 3.49Å; F260-I314 VanDerWaalsContact CZ-CG2 3.49Å; V272-I314 HydrophobicContact CG1-CG2 4.2Å; V272-I314 HydrophobicContact CG2-CG2 4.34Å; G276-I314 PolarHBondContact O-N 2.64Å; H278-I314 HydrophobicContact CB-CG1 4.29Å; H278-I314 WeakPolarHBondContact O-CG1 3.29Å; H278-I314 PolarHBondContact O-N 2.93Å; R280-I314 HydrophobicContact CB-CD1 4.2Å; R280-I314 HydrophobicContact CG-CD1 3.6Å; I314-F317 PolarHBondContact O-N 3.12Å; I314-A318 PolarHBondContact O-N 3.35Å
315L83.7Confident84.9Confident62 Ų6249 Ų4933%0.32526%0.256SS..Hα-helixtrans-67.6-45.6178.6-168.866.2000112.3G276 T313 F317 A318 L319 I326G276-L315 PolarHBondContact O-N 3.36Å; T313-L315 PolarHBondContact O-N 3.31Å; L315-F317 PolarHBondContact O-N 3.41Å; L315-A318 WeakPolarHBondContact O-CB 3.47Å; L315-A318 PolarHBondContact O-N 3Å; L315-L319 WeakPolarHBondContact O-CG 3.39Å; L315-L319 PolarHBondContact O-N 2.96Å; L315-I326 HydrophobicContact CD1-CD1 3.59Å
316E83.8Confident84.2Confident94 Ų9451.6 Ų51.644%0.43927%0.269SS..Hα-helixtrans-56-42.4172.1-76.7164.8175.300110.9R312 T313 L319 V320R312-E316 VanDerWaalsContact CA-OE2 3.32Å; R312-E316 WeakPolarHBondContact CA-OE2 3.42Å; R312-E316 HydrophobicContact CB-CB 4.47Å; R312-E316 WeakPolarHBondContact CB-OE2 3.44Å; R312-E316 VanDerWaalsContact CD-OE2 3.24Å; R312-E316 WeakPolarHBondContact CD-OE2 2.87Å; T313-E316 PolarHBondContact N-OE2 2.97Å; T313-E316 PolarHBondContact O-N 2.78Å; T313-E316 WeakPolarHBondContact OG1-CB 3.33Å; T313-E316 WeakPolarHBondContact OG1-CG 3.34Å; T313-E316 PolarHBondContact OG1-N 2.87Å; T313-E316 PolarHBondContact OG1-OE2 3.41Å; E316-L319 PolarHBondContact O-N 3.13Å; E316-V320 WeakPolarHBondContact O-CG2 3.48Å; E316-V320 PolarHBondContact O-N 3.36Å
317F82Confident83.7Confident1 Ų154.8 Ų54.80%0.00429%0.288CS..Hα-helixtrans-66.8-38.9178.5-174.3-93.1000112.8V256 V257 F260 F282 T313 I314 L315 L319 V320 V321 L358 L362V256-F317 HydrophobicContact CG1-CD1 3.73Å; V256-F317 HydrophobicContact CG1-CE1 3.98Å; V257-F317 HydrophobicContact CB-CE1 4.44Å; V257-F317 HydrophobicContact CB-CZ 4.13Å; V257-F317 HydrophobicContact CG1-CZ 4.06Å; V257-F317 HydrophobicContact CG2-CE1 4.09Å; V257-F317 HydrophobicContact CG2-CE2 4.3Å; V257-F317 HydrophobicContact CG2-CZ 3.61Å; F260-F317 HydrophobicContact CB-CE1 4.46Å; F260-F317 AromaticContact CD2-CD1 3.52Å; F260-F317 HydrophobicContact CD2-CD1 3.52Å; F260-F317 AromaticContact CD2-CE1 3.81Å; F260-F317 HydrophobicContact CD2-CE1 3.81Å; F260-F317 AromaticContact CE2-CD1 3.84Å; F260-F317 HydrophobicContact CE2-CD1 3.84Å; F260-F317 HydrophobicContact CG-CE1 4.45Å; F282-F317 AromaticContact CD2-CD2 3.8Å; F282-F317 HydrophobicContact CD2-CD2 3.8Å; F282-F317 AromaticContact CD2-CE2 3.96Å; F282-F317 HydrophobicContact CD2-CE2 3.96Å; F282-F317 HydrophobicContact CE2-CB 4.4Å; F282-F317 AromaticContact CE2-CD2 3.67Å; F282-F317 HydrophobicContact CE2-CD2 3.67Å; F282-F317 HydrophobicContact CE2-CE2 4.07Å; F282-F317 AromaticContact CE2-CG 3.93Å; F282-F317 HydrophobicContact CE2-CG 3.93Å; F282-F317 HydrophobicContact CG-CE2 4.45Å; F282-F317 HydrophobicContact CZ-CD2 4.48Å; T313-F317 PolarHBondContact O-N 3.37Å; T313-F317 VanDerWaalsContact O-N 3.09Å; I314-F317 PolarHBondContact O-N 3.12Å; L315-F317 PolarHBondContact O-N 3.41Å; F317-L319 VanDerWaalsContact C-N 3.33Å; F317-L319 PolarHBondContact O-N 3.48Å; F317-V320 PolarHBondContact O-N 3.2Å; F317-V321 HydrophobicContact CD1-CG2 4.4Å; F317-V321 HydrophobicContact CE1-CG2 3.88Å; F317-V321 HydrophobicContact CZ-CG2 4.17Å; F317-V321 PolarHBondContact O-N 3.25Å; F317-L358 HydrophobicContact CD2-CD1 4.46Å; F317-L358 HydrophobicContact CD2-CD2 4.09Å; F317-L358 HydrophobicContact CE2-CD1 3.98Å; F317-L358 HydrophobicContact CE2-CD2 4.37Å; F317-L358 HydrophobicContact CE2-CG 4.48Å; F317-L362 HydrophobicContact CE2-CD1 3.81Å; F317-L362 HydrophobicContact CE2-CD2 3.92Å; F317-L362 HydrophobicContact CE2-CG 4.35Å; F317-L362 HydrophobicContact CZ-CD1 4.21Å; F317-L362 HydrophobicContact CZ-CD2 3.66Å
318A81.2Confident83.2Confident1 Ų160.3 Ų60.31%0.00831%0.313CS..Hα-helixtrans-58.6-44.3176.500000111.9F260 I270 I314 L315 V320 V321 Q322 I326F260-A318 HydrophobicContact CD2-CB 4.1Å; F260-A318 HydrophobicContact CE2-CB 3.65Å; F260-A318 HydrophobicContact CZ-CB 4.42Å; I270-A318 HydrophobicContact CD1-CB 4.33Å; I270-A318 HydrophobicContact CG2-CB 4.17Å; I314-A318 PolarHBondContact O-N 3.35Å; L315-A318 WeakPolarHBondContact O-CB 3.47Å; L315-A318 PolarHBondContact O-N 3Å; A318-V320 VanDerWaalsContact C-N 3.27Å; A318-V320 PolarHBondContact O-N 3.41Å; A318-V321 PolarHBondContact O-N 3.24Å; A318-Q322 PolarHBondContact O-N 2.93Å; A318-I326 HydrophobicContact CB-CD1 4.31Å
319L76.6Confident82.8Confident106 Ų10664 Ų6456%0.55533%0.329SS*.Hα-helixtrans-64.7-28.8179.6-66172.4000113.3L315 E316 F317L315-L319 WeakPolarHBondContact O-CG 3.39Å; L315-L319 PolarHBondContact O-N 2.96Å; E316-L319 PolarHBondContact O-N 3.13Å; F317-L319 VanDerWaalsContact C-N 3.33Å; F317-L319 PolarHBondContact O-N 3.48Å
320V77.2Confident82.4Confident67 Ų6770.8 Ų70.841%0.40636%0.357SS..Hα-helixtrans-72.1-32.2176.6175.30000111.8E316 F317 A318 N359 L362E316-V320 WeakPolarHBondContact O-CG2 3.48Å; E316-V320 PolarHBondContact O-N 3.36Å; F317-V320 PolarHBondContact O-N 3.2Å; A318-V320 VanDerWaalsContact C-N 3.27Å; A318-V320 PolarHBondContact O-N 3.41Å; V320-N359 WeakPolarHBondContact CG1-OD1 3.25Å; V320-L362 HydrophobicContact CB-CD1 4.45Å; V320-L362 HydrophobicContact CG1-CD1 3.54Å
321V74Confident81.8Confident20 Ų2070.3 Ų70.312%0.12136%0.359CS..Hα-helixtrans-76-50.7-177177.60000111.1F260 I261 A264 F317 A318F260-V321 HydrophobicContact CB-CG1 4.41Å; F260-V321 HydrophobicContact CB-CG2 4.26Å; I261-V321 HydrophobicContact CG1-CG1 4.25Å; A264-V321 HydrophobicContact CB-CG1 3.86Å; F317-V321 HydrophobicContact CD1-CG2 4.4Å; F317-V321 HydrophobicContact CE1-CG2 3.88Å; F317-V321 HydrophobicContact CZ-CG2 4.17Å; F317-V321 PolarHBondContact O-N 3.25Å; A318-V321 PolarHBondContact O-N 3.24Å
322Q68.9Low81.5Confident75 Ų7571.4 Ų71.435%0.3537%0.369SS..  trans-169.3155.1176.9-165167.3-24.100112A264 A318 C324A264-Q322 HydrophobicContact CB-CB 4.05Å; A264-Q322 PolarHBondContact O-OE1 3.28Å; A318-Q322 PolarHBondContact O-N 2.93Å; Q322-C324 VanDerWaalsContact C-N 3.31Å; Q322-C324 VanDerWaalsContact CG-SG 3.54Å; Q322-C324 PolarHBondContact O-N 3.14Å
323N65.8Low81.2Confident150 Ų15071.8 Ų71.880%0.80238%0.382SS*.  trans-75.381.3161.8-81.9-17.1000110
324C68.9Low81Confident29 Ų2973.3 Ų73.320%0.19639%0.389CS..  trans-115.3157.5170.6-670000110.1I270 Q322I270-C324 HydrophobicContact CD1-CB 4.18Å; I270-C324 HydrophobicContact CG1-CB 4.1Å; Q322-C324 VanDerWaalsContact C-N 3.31Å; Q322-C324 VanDerWaalsContact CG-SG 3.54Å; Q322-C324 PolarHBondContact O-N 3.14Å
325D83.6Confident81Confident130 Ų13074.8 Ų74.870%0.69540%0.397SS*.  trans-57.2139.6170.3-66.6-35.3000110.4S269 I270S269-D325 CarbonylContact C-O 3.55Å; S269-D325 WeakPolarHBondContact CA-O 3.27Å; S269-D325 VanDerWaalsContact CB-O 3.23Å; S269-D325 WeakPolarHBondContact CB-O 3.48Å; I270-D325 PolarHBondContact N-O 3.02Å
326I84.8Confident81Confident54 Ų5471.9 Ų71.928%0.27738%0.382SS..EExtended strand (participates in β ladder)trans-105.9129180-61.2178.4000109.2I270 V272 L315 A318 F328I270-I326 WeakPolarHBondContact O-CA 3.48Å; V272-I326 HydrophobicContact CB-CG2 4.05Å; V272-I326 HydrophobicContact CG2-CG2 3.56Å; L315-I326 HydrophobicContact CD1-CD1 3.59Å; A318-I326 HydrophobicContact CB-CD1 4.31Å; I326-F328 HydrophobicContact CG2-CE1 4.29Å; I326-F328 HydrophobicContact CG2-CE2 4.11Å; I326-F328 HydrophobicContact CG2-CZ 3.97Å
327V87.9Confident81Confident68 Ų6874.3 Ų74.341%0.41239%0.387SS..EExtended strand (participates in β ladder)trans-114131.9174.21760000109I270 T271 V272I270-V327 PolarHBondContact O-N 2.81Å; T271-V327 CarbonylContact C-O 3.53Å; T271-V327 WeakPolarHBondContact CA-O 3.39Å; V272-V327 PolarHBondContact N-O 3.35Å
328F87.9Confident81.4Confident116 Ų11677.4 Ų77.451%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-93.5140.7179.2-63.3-84000111.8V272 G274 I326V272-F328 HydrophobicContact CB-CD1 3.95Å; V272-F328 HydrophobicContact CB-CE1 4.07Å; V272-F328 HydrophobicContact CG1-CD1 3.92Å; V272-F328 HydrophobicContact CG1-CE1 3.88Å; V272-F328 CarbonylContact O-C 3.56Å; V272-F328 VanDerWaalsContact O-CA 3.27Å; V272-F328 WeakPolarHBondContact O-CA 3.39Å; G274-F328 VanDerWaalsContact O-CD1 3.3Å; G274-F328 WeakPolarHBondContact O-CD1 3.2Å; I326-F328 HydrophobicContact CG2-CE1 4.29Å; I326-F328 HydrophobicContact CG2-CE2 4.11Å; I326-F328 HydrophobicContact CG2-CZ 3.97Å
329Q88.3Confident81.8Confident95 Ų9577.4 Ų77.444%0.44440%0.401SS..EExtended strand (participates in β ladder)trans-131.2162.1174-71.8-172.9-1.400110.9T271 V272 Y273 G274T271-Q329 HydrophobicContact CG2-CB 4.18Å; T271-Q329 HydrophobicContact CG2-CG 3.69Å; V272-Q329 PolarHBondContact O-N 3.02Å; Y273-Q329 CarbonylContact C-O 3.27Å; Y273-Q329 WeakPolarHBondContact CA-O 3.23Å; Y273-Q329 HydrophobicContact CD1-CB 3.76Å; Y273-Q329 HydrophobicContact CE1-CB 3.91Å; Y273-Q329 VanDerWaalsContact CE1-OE1 3.24Å; G274-Q329 PolarHBondContact N-O 2.96Å
330E86.1Confident82.8Confident183 Ų18377.1 Ų77.186%0.85539%0.393SS*.PPolyproline II helixtrans-64.3138.4177.5-67.8-174169.700112.1Y273Y273-E330 VanDerWaalsContact CD1-O 3.31Å; Y273-E330 WeakPolarHBondContact CD1-O 3.34Å
331S83.1Confident83.7Confident50 Ų5074 Ų7435%0.3537%0.374SS..PPolyproline II helixtrans-61.5136.1177-66.40000111.5G274G274-S331 WeakPolarHBondContact CA-OG 3.23Å; G274-S331 PolarHBondContact N-OG 3.19Å
332P83.6Confident84.8Confident62 Ų6275.4 Ų75.440%0.40338%0.381SS..PPolyproline II helixtrans-58144.6170.7-21.431.7000111.8D334 D335P332-D334 PolarHBondContact O-N 3.43Å; P332-D335 HydrophobicContact CB-CB 4.25Å; P332-D335 WeakPolarHBondContact O-CB 3.17Å; P332-D335 PolarHBondContact O-N 3.48Å
333V83.7Confident86.2Confident102 Ų10272.8 Ų72.862%0.61837%0.369SS*.THydrogen-bonded Turntrans-59.7136.8176.8-178.70000110.2P210 D335P210-V333 HydrophobicContact CG-CB 4.28Å; P210-V333 HydrophobicContact CG-CG1 4.23Å; V333-D335 PolarHBondContact O-N 2.89Å
334D84.1Confident87.8Confident62 Ų6267.8 Ų67.833%0.33235%0.345SS..THydrogen-bonded Turntrans58.220.7-178.1-58.8-15.4000114.2N206 R211 P332 P336N206-D334 PolarHBondContact ND2-OD2 2.9Å; R211-D334 VanDerWaalsContact CD-O 3.28Å; R211-D334 WeakPolarHBondContact CD-O 3.16Å; P332-D334 PolarHBondContact O-N 3.43Å; D334-P336 WeakPolarHBondContact O-CD 3.43Å
335D85Confident89.2Confident43 Ų4369.4 Ų69.423%0.2335%0.348CS..  trans-72.4125.9170-165.357.2000111.1R211 R280 P332 V333 R337R211-D335 IonicContact CZ-OD1 2.76Å; R211-D335 IonicContact NH1-OD1 2.78Å; R211-D335 PolarHBondContact NH1-OD1 2.85Å; R211-D335 IonicContact NH2-OD1 3.67Å; R280-D335 IonicContact NH2-OD1 3.49Å; R280-D335 IonicContact NH2-OD2 2.71Å; R280-D335 PolarHBondContact NH2-OD2 2.84Å; P332-D335 HydrophobicContact CB-CB 4.25Å; P332-D335 WeakPolarHBondContact O-CB 3.17Å; P332-D335 PolarHBondContact O-N 3.48Å; V333-D335 PolarHBondContact O-N 2.89Å; D335-R337 PolarHBondContact O-N 3.13Å
336P83.7Confident89.9Confident1 Ų163.2 Ų63.21%0.00631%0.314CS..  trans-58.6138.4-178.5-1620000111.9D191 R280 D334D191-P336 WeakPolarHBondContact OD1-CA 3.37Å; R280-P336 PolarHBondContact NH1-O 3.3Å; R280-P336 PolarHBondContact NH2-O 3.16Å; D334-P336 WeakPolarHBondContact O-CD 3.43Å
337R85.1Confident90.5Very high145 Ų14567.8 Ų67.855%0.54733%0.328SS..SBendtrans-77.7-28.6179.8-69.7169.5-73.1169.4-2.9113.2D191 H278 T279 R280 D335D191-R337 PolarHBondContact OD1-N 2.79Å; D191-R337 IonicContact OD1-NE 3.17Å; D191-R337 IonicContact OD2-CZ 2.84Å; D191-R337 IonicContact OD2-NE 3.42Å; D191-R337 PolarHBondContact OD2-NE 3.38Å; D191-R337 IonicContact OD2-NH2 3.72Å; D191-R337 PolarHBondContact OD2-NH2 3.07Å; H278-R337 VanDerWaalsContact CA-O 3.26Å; H278-R337 WeakPolarHBondContact CA-O 3.15Å; H278-R337 WeakPolarHBondContact CB-O 3.2Å; T279-R337 PolarHBondContact N-O 2.98Å; T279-R337 VanDerWaalsContact N-O 3.11Å; R280-R337 PolarHBondContact NH1-O 3.12Å; D335-R337 PolarHBondContact O-N 3.13Å
338Q89.4Confident91Very high66 Ų6671 Ų7131%0.30834%0.337SS..  trans-144.2144.9-175.353.9-175.2-32.400111P192 H195 T279P192-Q338 HydrophobicContact CG-CG 4.37Å; H195-Q338 PolarHBondContact ND1-OE1 3.21Å; T279-Q338 WeakPolarHBondContact OG1-CA 3.38Å; T279-Q338 WeakPolarHBondContact OG1-CB 3.45Å
339R91.1Very high91.5Very high1 Ų169.9 Ų69.90%0.00434%0.335CS..  trans-151.4106.5179.7-163.880.689.1-173.33.8111.8S186 E187 G190 F242 T279 S281 E311S186-R339 PolarHBondContact O-NH1 2.96Å; S186-R339 VanDerWaalsContact O-NH1 3.14Å; E187-R339 IonicContact OE1-CZ 3.24Å; E187-R339 IonicContact OE1-NH2 2.88Å; E187-R339 PolarHBondContact OE1-NH2 2.76Å; E187-R339 IonicContact OE2-NH2 2.7Å; E187-R339 PolarHBondContact OE2-NH2 3.5Å; G190-R339 PolarHBondContact O-NH1 2.68Å; F242-R339 HydrophobicContact CD1-CG 3.68Å; F242-R339 HydrophobicContact CE1-CG 3.74Å; T279-R339 PolarHBondContact O-N 3.35Å; S281-R339 PolarHBondContact N-O 2.85Å; S281-R339 VanDerWaalsContact N-O 3.13Å; S281-R339 PolarHBondContact OG-O 2.9Å; E311-R339 PolarHBondContact OE1-N 3.47Å
340R95.7Very high92Very high100 Ų10066.1 Ų66.138%0.37732%0.318SS..  trans-140.4120.5177.6-171.7179.4-178.6-165.8-2.5110.7H195 P196 Q197 P309 E311H195-R340 WeakPolarHBondContact CE1-CB 3.3Å; H195-R340 WeakPolarHBondContact NE2-CD 3.38Å; P196-R340 HydrophobicContact CB-CB 4.31Å; P196-R340 HydrophobicContact CB-CG 4.22Å; P196-R340 WeakPolarHBondContact CB-O 3.3Å; Q197-R340 PolarHBondContact N-O 2.83Å; Q197-R340 PolarHBondContact OE1-O 3.28Å; Q197-R340 VanDerWaalsContact OE1-O 3.05Å; P309-R340 PolarHBondContact O-NE 3.4Å; E311-R340 HydrophobicContact CB-CB 4.32Å; E311-R340 HydrophobicContact CB-CG 4.12Å
341P97.1Very high92.6Very high2 Ų265.4 Ų65.41%0.01332%0.315CS..BIsolated β-bridgetrans-74.2136.5177.130.1-33.6000111F242 S281 N305 N308 I343F242-P341 HydrophobicContact CD1-CB 3.86Å; F242-P341 HydrophobicContact CD1-CG 3.98Å; F242-P341 HydrophobicContact CD2-CB 3.84Å; F242-P341 HydrophobicContact CD2-CG 4.45Å; F242-P341 HydrophobicContact CE1-CB 3.66Å; F242-P341 HydrophobicContact CE1-CG 4.2Å; F242-P341 HydrophobicContact CE2-CB 3.67Å; F242-P341 HydrophobicContact CG-CB 3.96Å; F242-P341 HydrophobicContact CG-CG 4.13Å; F242-P341 HydrophobicContact CZ-CB 3.57Å; S281-P341 VanDerWaalsContact OG-CD 3.3Å; S281-P341 WeakPolarHBondContact OG-CD 3.29Å; N305-P341 HydrophobicContact CB-CB 4.25Å; N308-P341 WeakPolarHBondContact O-CD 3.09Å; N308-P341 WeakPolarHBondContact O-CG 3.46Å; P341-I343 HydrophobicContact CB-CG2 3.78Å; P341-I343 HydrophobicContact CG-CG2 3.9Å
342D98.1Very high93.3Very high50 Ų5063.5 Ų63.527%0.26730%0.3SS..  trans-77.2117.7149.9-179-6.2000107.7P196 Q197 N305 S344P196-D342 HydrophobicContact CB-CB 4.43Å; P196-D342 HydrophobicContact CG-CB 4.26Å; Q197-D342 PolarHBondContact O-N 3.05Å; N305-D342 WeakPolarHBondContact CB-O 3.46Å; N305-D342 PolarHBondContact ND2-O 2.89Å; D342-S344 WeakPolarHBondContact OD1-CB 3.4Å; D342-S344 PolarHBondContact OD1-N 3.16Å; D342-S344 PolarHBondContact OD1-OG 3.24Å; D342-S344 PolarHBondContact OD2-OG 3.23Å
343I98.1Very high94Very high20 Ų2066.5 Ų66.510%0.10331%0.306CS..  trans-106.213.3-179.662.5156.5000112.8G307 P309 P341 R345 A346 W347 W352G307-I343 WeakPolarHBondContact O-CG2 3.46Å; P309-I343 HydrophobicContact CB-CG1 4.36Å; P309-I343 HydrophobicContact CG-CD1 3.81Å; P309-I343 HydrophobicContact CG-CG1 4.08Å; P341-I343 HydrophobicContact CB-CG2 3.78Å; P341-I343 HydrophobicContact CG-CG2 3.9Å; I343-R345 PolarHBondContact O-N 2.78Å; I343-A346 PolarHBondContact O-N 3.33Å; I343-A346 VanDerWaalsContact O-N 3.14Å; I343-W347 PolarHBondContact O-N 3.46Å; I343-W352 HydrophobicContact CG2-CZ3 4.44Å
344S98.3Very high94.7Very high44 Ų4462.8 Ų62.831%0.30829%0.285SS..Hα-helixtrans-57.7-36.3-178.162.70000112.3D342 K348D342-S344 WeakPolarHBondContact OD1-CB 3.4Å; D342-S344 PolarHBondContact OD1-N 3.16Å; D342-S344 PolarHBondContact OD1-OG 3.24Å; D342-S344 PolarHBondContact OD2-OG 3.23Å; S344-K348 WeakPolarHBondContact O-CB 3.42Å; S344-K348 WeakPolarHBondContact O-CG 3.27Å; S344-K348 PolarHBondContact O-N 3.41Å
345R98.4Very high95.3Very high64 Ų6467 Ų6724%0.24230%0.3CS..Hα-helixtrans-66.1-47.8174.6-173.1179.5-62.8-161.2-6.6112.3E199 P303 V304 I343 W347 K348 L349E199-R345 WeakPolarHBondContact OE1-CB 3.43Å; E199-R345 IonicContact OE1-NE 3.23Å; E199-R345 IonicContact OE2-CZ 3.39Å; E199-R345 IonicContact OE2-NE 3.39Å; E199-R345 PolarHBondContact OE2-NE 2.85Å; P303-R345 WeakPolarHBondContact O-CD 3.31Å; P303-R345 PolarHBondContact O-NH1 3.14Å; V304-R345 HydrophobicContact CG2-CG 4.26Å; I343-R345 PolarHBondContact O-N 2.78Å; R345-W347 VanDerWaalsContact C-N 3.3Å; R345-W347 PolarHBondContact O-N 2.93Å; R345-K348 PolarHBondContact O-N 3.44Å; R345-L349 HydrophobicContact CG-CD1 3.66Å; R345-L349 HydrophobicContact CG-CG 4.27Å; R345-L349 WeakPolarHBondContact O-CB 3.4Å; R345-L349 WeakPolarHBondContact O-CG 3.38Å; R345-L349 PolarHBondContact O-N 3.06Å
346A98.6Very high95.9Very high0 Ų066.5 Ų66.50%030%0.298CS..Hα-helixtrans-61.5-41.5178.300000111.2V304 L306 I343 L350 H351 W352V304-A346 HydrophobicContact CG1-CB 3.59Å; L306-A346 HydrophobicContact CD2-CB 4.24Å; I343-A346 PolarHBondContact O-N 3.33Å; I343-A346 VanDerWaalsContact O-N 3.14Å; A346-L350 WeakPolarHBondContact O-CA 3.19Å; A346-L350 WeakPolarHBondContact O-CB 3.44Å; A346-L350 PolarHBondContact O-N 2.89Å; A346-H351 PolarHBondContact O-N 2.78Å; A346-W352 HydrophobicContact CB-CE3 3.65Å; A346-W352 HydrophobicContact CB-CZ3 4.1Å; A346-W352 PolarHBondContact O-N 3.46Å
347W98.1Very high96.4Very high150 Ų15068.9 Ų68.957%0.56832%0.315SS*.Hα-helixtrans-64.6-48175.8-179.871.2000112.6I343 R345 H351 W352I343-W347 PolarHBondContact O-N 3.46Å; R345-W347 VanDerWaalsContact C-N 3.3Å; R345-W347 PolarHBondContact O-N 2.93Å; W347-H351 VanDerWaalsContact O-CA 3.27Å; W347-H351 WeakPolarHBondContact O-CA 3.26Å; W347-H351 PolarHBondContact O-N 3.17Å; W347-W352 VanDerWaalsContact CA-O 3.3Å; W347-W352 WeakPolarHBondContact CA-O 3.38Å; W347-W352 PolarHBondContact N-O 2.94Å
348K98.3Very high96.7Very high135 Ų13563.1 Ų63.159%0.58730%0.295SS*.Hα-helixtrans-69.1-43.6-177.5-73.2173-175.6174.70113.3S344 R345S344-K348 WeakPolarHBondContact O-CB 3.42Å; S344-K348 WeakPolarHBondContact O-CG 3.27Å; S344-K348 PolarHBondContact O-N 3.41Å; R345-K348 PolarHBondContact O-N 3.44Å
349L98.3Very high96.8Very high92 Ų9264.7 Ų64.748%0.48231%0.306SS..Hα-helixtrans-97.9-24.1-168.9-55.5-176.6000113.7V300 R345V300-L349 HydrophobicContact CG1-CD1 4.03Å; V300-L349 HydrophobicContact CG2-CB 3.67Å; V300-L349 HydrophobicContact CG2-CD1 3.8Å; V300-L349 HydrophobicContact CG2-CG 4.33Å; R345-L349 HydrophobicContact CG-CD1 3.66Å; R345-L349 HydrophobicContact CG-CG 4.27Å; R345-L349 WeakPolarHBondContact O-CB 3.4Å; R345-L349 WeakPolarHBondContact O-CG 3.38Å; R345-L349 PolarHBondContact O-N 3.06Å
350L98.4Very high97Very high17 Ų1769.1 Ų69.19%0.08933%0.329CS..Hα-helixtrans-114.7-5.1-178.1-47.5-179.2000113A294 L295 V300 V304 L306 A346 W352A294-L350 HydrophobicContact CB-CB 4.19Å; L295-L350 HydrophobicContact CB-CD1 3.84Å; L295-L350 HydrophobicContact CB-CD2 4.47Å; L295-L350 HydrophobicContact CD1-CD1 4.13Å; L295-L350 HydrophobicContact CD1-CD2 4.07Å; V300-L350 HydrophobicContact CG2-CD2 4.12Å; V304-L350 HydrophobicContact CG1-CD1 3.98Å; L306-L350 HydrophobicContact CD2-CD1 4.43Å; A346-L350 WeakPolarHBondContact O-CA 3.19Å; A346-L350 WeakPolarHBondContact O-CB 3.44Å; A346-L350 PolarHBondContact O-N 2.89Å; L350-W352 HydrophobicContact CB-CB 3.94Å; L350-W352 PolarHBondContact O-N 3.22Å; L350-W352 VanDerWaalsContact O-N 3.16Å
351H98.1Very high97Very high168 Ų16864.3 Ų64.378%0.77831%0.311SS*.  trans52.532.3-170.2-53.9-60.6000112.8A346 W347A346-H351 PolarHBondContact O-N 2.78Å; W347-H351 VanDerWaalsContact O-CA 3.27Å; W347-H351 WeakPolarHBondContact O-CA 3.26Å; W347-H351 PolarHBondContact O-N 3.17Å
352W98.5Very high96.8Very high9 Ų964.5 Ų64.53%0.03431%0.312CS..  trans-108.8142.4-172.8176.793.1000111.4Q283 D287 G291 L306 G307 I343 A346 W347 L350Q283-W352 VanDerWaalsContact OE1-CZ2 3.23Å; D287-W352 HydrophobicContact CB-CZ2 4.35Å; D287-W352 WeakPolarHBondContact O-CZ2 3.26Å; D287-W352 PolarHBondContact O-NE1 3.11Å; G291-W352 VanDerWaalsContact CA-NE1 3.26Å; G291-W352 VanDerWaalsContact N-NE1 3.11Å; L306-W352 HydrophobicContact CB-CH2 4.48Å; L306-W352 HydrophobicContact CD2-CD2 4.14Å; L306-W352 HydrophobicContact CD2-CE3 3.93Å; L306-W352 HydrophobicContact CD2-CH2 4.27Å; L306-W352 HydrophobicContact CD2-CZ2 4.46Å; L306-W352 HydrophobicContact CD2-CZ3 4Å; G307-W352 WeakPolarHBondContact O-CH2 3.48Å; I343-W352 HydrophobicContact CG2-CZ3 4.44Å; A346-W352 HydrophobicContact CB-CE3 3.65Å; A346-W352 HydrophobicContact CB-CZ3 4.1Å; A346-W352 PolarHBondContact O-N 3.46Å; W347-W352 VanDerWaalsContact CA-O 3.3Å; W347-W352 WeakPolarHBondContact CA-O 3.38Å; W347-W352 PolarHBondContact N-O 2.94Å; L350-W352 HydrophobicContact CB-CB 3.94Å; L350-W352 PolarHBondContact O-N 3.22Å; L350-W352 VanDerWaalsContact O-N 3.16Å
353K98Very high96.5Very high125 Ų12569.3 Ų69.354%0.54333%0.33SS..  trans-155.9153.616962.6176.7-176.9174.60108.8
354P97.9Very high96.4Very high25 Ų2571.7 Ų71.716%0.16234%0.342CS..  trans-60.5144.817229.3-38.6000111D287 N308D287-P354 HydrophobicContact CB-CB 4.26Å; D287-P354 WeakPolarHBondContact OD2-CA 3.41Å; N308-P354 HydrophobicContact CB-CB 4.5Å; N308-P354 HydrophobicContact CB-CG 4.25Å
355K97.8Very high96.3Very high149 Ų14969.6 Ų69.665%0.64833%0.327SS*.  trans-120.4-29.7-176.7-57.9168-169.8158.10111.8D287 D290D287-K355 PolarHBondContact OD1-N 2.94Å; D287-K355 PolarHBondContact OD2-N 2.99Å; D290-K355 IonicContact OD2-NZ 3.49Å; D290-K355 PolarHBondContact OD2-NZ 3.36Å
356V97.4Very high96Very high33 Ų3368.4 Ų68.420%0.233%0.326CS..SBendtrans-85.3126.7-175.8-1780000109.2Y284 D287 D360 M364Y284-V356 HydrophobicContact CD1-CB 3.95Å; Y284-V356 HydrophobicContact CD1-CG1 3.77Å; Y284-V356 HydrophobicContact CD1-CG2 3.83Å; Y284-V356 HydrophobicContact CE1-CG1 4.46Å; Y284-V356 HydrophobicContact CG-CB 4.11Å; Y284-V356 HydrophobicContact CG-CG1 3.81Å; Y284-V356 HydrophobicContact CG-CG2 4.48Å; D287-V356 PolarHBondContact OD2-N 3.18Å; V356-D360 HydrophobicContact CG1-CB 4.18Å; V356-M364 HydrophobicContact CG1-CE 3.99Å
357S94.4Very high95.8Very high51 Ų5173.8 Ų73.836%0.35735%0.351SS..  trans-66.6154.517682.40000110.7N359 D360 G361S357-N359 VanDerWaalsContact C-N 3.27Å; S357-N359 PolarHBondContact O-N 3.42Å; S357-D360 PolarHBondContact O-N 3.24Å; S357-D360 WeakPolarHBondContact OG-CB 3.4Å; S357-D360 PolarHBondContact OG-N 3.39Å; S357-D360 VanDerWaalsContact OG-N 3.12Å; S357-D360 PolarHBondContact OG-OD2 2.84Å; S357-G361 PolarHBondContact O-N 3.06Å
358L91.1Very high95.6Very high24 Ų2468.9 Ų68.913%0.12633%0.332CS..Hα-helixtrans-55.8-45.2176.4-175.761000111.5F245 F282 F317 G361 L362F245-L358 HydrophobicContact CE1-CD1 3.88Å; F245-L358 HydrophobicContact CZ-CD1 3.83Å; F282-L358 HydrophobicContact CB-CD1 3.86Å; F317-L358 HydrophobicContact CD2-CD1 4.46Å; F317-L358 HydrophobicContact CD2-CD2 4.09Å; F317-L358 HydrophobicContact CE2-CD1 3.98Å; F317-L358 HydrophobicContact CE2-CD2 4.37Å; F317-L358 HydrophobicContact CE2-CG 4.48Å; L358-G361 PolarHBondContact O-N 3.22Å; L358-L362 HydrophobicContact CD1-CD1 4.25Å; L358-L362 HydrophobicContact CD1-CG 4.32Å; L358-L362 HydrophobicContact CG-CD1 3.97Å; L358-L362 HydrophobicContact CG-CG 4.45Å; L358-L362 WeakPolarHBondContact O-CB 3.49Å; L358-L362 VanDerWaalsContact O-CG 3.24Å; L358-L362 WeakPolarHBondContact O-CG 3.45Å; L358-L362 PolarHBondContact O-N 3.47Å
359N91.4Very high95.2Very high100 Ų10062.4 Ų62.454%0.53530%0.304SS..Hα-helixtrans-63.9-45.7-178.4-67.6-23.1000112.3V320 S357 L362 K363V320-N359 WeakPolarHBondContact CG1-OD1 3.25Å; S357-N359 VanDerWaalsContact C-N 3.27Å; S357-N359 PolarHBondContact O-N 3.42Å; N359-L362 PolarHBondContact O-N 3.34Å; N359-K363 WeakPolarHBondContact O-CB 3.18Å; N359-K363 PolarHBondContact O-N 2.91Å
360D95Very high94.9Very high93 Ų9361.4 Ų61.450%0.49730%0.299SS..Hα-helixtrans-64.9-44.5178.3-62.3-40.6000110.9V356 S357 L362 K363 M364V356-D360 HydrophobicContact CG1-CB 4.18Å; S357-D360 PolarHBondContact O-N 3.24Å; S357-D360 WeakPolarHBondContact OG-CB 3.4Å; S357-D360 PolarHBondContact OG-N 3.39Å; S357-D360 VanDerWaalsContact OG-N 3.12Å; S357-D360 PolarHBondContact OG-OD2 2.84Å; D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 3.19Å; D360-K363 PolarHBondContact O-N 3.34Å; D360-M364 WeakPolarHBondContact O-CE 3.46Å; D360-M364 WeakPolarHBondContact O-CG 3.42Å; D360-M364 PolarHBondContact O-N 3.33Å; D360-M364 VanDerWaalsContact O-N 3.16Å
361G95.5Very high94.5Very high0 Ų065 Ų650%032%0.316CS..Hα-helixtrans-56.6-45.4174.900000112.1Y284 S357 L358 T365Y284-G361 WeakPolarHBondContact CE2-O 3.42Å; S357-G361 PolarHBondContact O-N 3.06Å; L358-G361 PolarHBondContact O-N 3.22Å; G361-T365 WeakPolarHBondContact O-CB 3.49Å; G361-T365 PolarHBondContact O-N 3.25Å; G361-T365 PolarHBondContact O-OG1 3.44Å
362L92.4Very high94Very high5 Ų558.9 Ų58.93%0.02629%0.288CS..Hα-helixtrans-66.8-44.8-179.5-76.1173.7000111.4F245 V257 I261 F317 V320 L358 N359 D360 M364 T365 I366F245-L362 HydrophobicContact CD2-CD2 4.2Å; F245-L362 HydrophobicContact CE2-CD2 3.79Å; F245-L362 HydrophobicContact CE2-CG 4Å; F245-L362 HydrophobicContact CZ-CD2 4.43Å; F245-L362 HydrophobicContact CZ-CG 4.33Å; V257-L362 HydrophobicContact CG1-CD2 4.09Å; I261-L362 HydrophobicContact CD1-CD2 4.21Å; F317-L362 HydrophobicContact CE2-CD1 3.81Å; F317-L362 HydrophobicContact CE2-CD2 3.92Å; F317-L362 HydrophobicContact CE2-CG 4.35Å; F317-L362 HydrophobicContact CZ-CD1 4.21Å; F317-L362 HydrophobicContact CZ-CD2 3.66Å; V320-L362 HydrophobicContact CB-CD1 4.45Å; V320-L362 HydrophobicContact CG1-CD1 3.54Å; L358-L362 HydrophobicContact CD1-CD1 4.25Å; L358-L362 HydrophobicContact CD1-CG 4.32Å; L358-L362 HydrophobicContact CG-CD1 3.97Å; L358-L362 HydrophobicContact CG-CG 4.45Å; L358-L362 WeakPolarHBondContact O-CB 3.49Å; L358-L362 VanDerWaalsContact O-CG 3.24Å; L358-L362 WeakPolarHBondContact O-CG 3.45Å; L358-L362 PolarHBondContact O-N 3.47Å; N359-L362 PolarHBondContact O-N 3.34Å; D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 3.19Å; L362-M364 VanDerWaalsContact C-N 3.34Å; L362-M364 PolarHBondContact O-N 3.09Å; L362-T365 CarbonylContact O-C 3.57Å; L362-T365 PolarHBondContact O-N 3.02Å; L362-I366 HydrophobicContact CB-CD1 4.46Å; L362-I366 WeakPolarHBondContact O-CB 3.11Å; L362-I366 VanDerWaalsContact O-CG1 3.26Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 3.35Å
363K93.4Very high93.1Very high151 Ų15159.7 Ų59.766%0.65729%0.292SS*.Hα-helixtrans-52.9-51.2176.4-176.6179.5177.1-178.30111.6N359 D360 T365 I366 E367N359-K363 WeakPolarHBondContact O-CB 3.18Å; N359-K363 PolarHBondContact O-N 2.91Å; D360-K363 PolarHBondContact O-N 3.34Å; K363-T365 VanDerWaalsContact C-N 3.29Å; K363-T365 PolarHBondContact O-N 2.83Å; K363-I366 PolarHBondContact O-N 3.35Å; K363-E367 WeakPolarHBondContact O-CB 3.3Å; K363-E367 PolarHBondContact O-N 2.97Å
364M95.8Very high92.4Very high70 Ų7058.4 Ų58.435%0.34530%0.295SS..Hα-helixtrans-64.7-33177.9-65.5-179-7200112.8Y284 V356 D360 L362 Y368Y284-M364 HydrophobicContact CD1-CE 4.21Å; Y284-M364 HydrophobicContact CE1-CE 3.53Å; Y284-M364 HydrophobicContact CE2-CE 3.87Å; Y284-M364 WeakPolarHBondContact OH-CE 3.27Å; V356-M364 HydrophobicContact CG1-CE 3.99Å; D360-M364 WeakPolarHBondContact O-CE 3.46Å; D360-M364 WeakPolarHBondContact O-CG 3.42Å; D360-M364 PolarHBondContact O-N 3.33Å; D360-M364 VanDerWaalsContact O-N 3.16Å; L362-M364 VanDerWaalsContact C-N 3.34Å; L362-M364 PolarHBondContact O-N 3.09Å; M364-Y368 PolarHBondContact O-N 3.32Å
365T94.9Very high91.4Very high0 Ų063.4 Ų63.40%031%0.314CS..Hα-helixtrans-72.9-43.4178.7-53.80000111.2F245 G246 M249 I261 G361 L362 K363 E367 Y368 F369F245-T365 HydrophobicContact CD2-CG2 4.49Å; G246-T365 WeakPolarHBondContact CA-OG1 3.32Å; M249-T365 HydrophobicContact SD-CG2 4.03Å; I261-T365 HydrophobicContact CD1-CG2 3.73Å; G361-T365 WeakPolarHBondContact O-CB 3.49Å; G361-T365 PolarHBondContact O-N 3.25Å; G361-T365 PolarHBondContact O-OG1 3.44Å; L362-T365 CarbonylContact O-C 3.57Å; L362-T365 PolarHBondContact O-N 3.02Å; K363-T365 VanDerWaalsContact C-N 3.29Å; K363-T365 PolarHBondContact O-N 2.83Å; T365-E367 VanDerWaalsContact C-N 3.35Å; T365-Y368 PolarHBondContact O-N 3.4Å; T365-F369 HydrophobicContact CG2-CD2 4.05Å; T365-F369 HydrophobicContact CG2-CE2 3.8Å; T365-F369 WeakPolarHBondContact O-CD2 3.34Å; T365-F369 PolarHBondContact O-N 2.93Å
366I92.4Very high89.8Confident40 Ų4063 Ų6321%0.20531%0.312CS..Hα-helixtrans-62.3-43.9176.8-68.7165000110.1I261 L265 L362 K363 Y368 F369 N370I261-I366 HydrophobicContact CD1-CG1 4.03Å; I261-I366 HydrophobicContact CG1-CG1 4.02Å; I261-I366 HydrophobicContact CG2-CG1 4.02Å; L265-I366 HydrophobicContact CD2-CG2 4.21Å; L362-I366 HydrophobicContact CB-CD1 4.46Å; L362-I366 WeakPolarHBondContact O-CB 3.11Å; L362-I366 VanDerWaalsContact O-CG1 3.26Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 3.35Å; K363-I366 PolarHBondContact O-N 3.35Å; I366-Y368 VanDerWaalsContact C-N 3.34Å; I366-Y368 PolarHBondContact O-N 2.86Å; I366-F369 PolarHBondContact O-N 3.15Å; I366-N370 WeakPolarHBondContact O-CB 3.35Å; I366-N370 PolarHBondContact O-N 3.38Å
367E93.8Very high87.8Confident112 Ų11269.4 Ų69.452%0.52334%0.342SS..Hα-helixtrans-56.6-47.3174.9-175.3172.3-164.900111.6K363 T365 F369 N370 E371K363-E367 WeakPolarHBondContact O-CB 3.3Å; K363-E367 PolarHBondContact O-N 2.97Å; T365-E367 VanDerWaalsContact C-N 3.35Å; E367-F369 PolarHBondContact O-N 3.28Å; E367-N370 WeakPolarHBondContact O-CB 3.4Å; E367-N370 PolarHBondContact O-N 2.81Å; E367-E371 PolarHBondContact O-N 2.82Å
368Y93.9Very high85.5Confident47 Ų4773.4 Ų73.418%0.18438%0.378CS..Hα-helixtrans-60.6-42.6175174.4-96.7000113P247 R248 M364 T365 I366 E371 M372P247-Y368 HydrophobicContact CB-CD1 4.17Å; P247-Y368 HydrophobicContact CB-CD2 3.87Å; P247-Y368 HydrophobicContact CB-CE2 4.43Å; P247-Y368 HydrophobicContact CB-CG 3.72Å; P247-Y368 HydrophobicContact CG-CG 4.43Å; R248-Y368 HydrophobicContact CG-CE2 4.43Å; R248-Y368 VanDerWaalsContact N-CZ 3.29Å; M364-Y368 PolarHBondContact O-N 3.32Å; T365-Y368 PolarHBondContact O-N 3.4Å; I366-Y368 VanDerWaalsContact C-N 3.34Å; I366-Y368 PolarHBondContact O-N 2.86Å; Y368-E371 PolarHBondContact O-N 3Å; Y368-M372 HydrophobicContact CD1-CG 4.47Å; Y368-M372 HydrophobicContact CD1-SD 4.41Å; Y368-M372 HydrophobicContact CE1-CG 3.94Å; Y368-M372 HydrophobicContact CE1-SD 3.44Å; Y368-M372 WeakPolarHBondContact CE1-SD 3.24Å; Y368-M372 HydrophobicContact CE2-CG 4.37Å; Y368-M372 HydrophobicContact CE2-SD 4.48Å; Y368-M372 WeakPolarHBondContact O-CG 3.43Å; Y368-M372 PolarHBondContact O-N 3.11Å; Y368-M372 VanDerWaalsContact O-N 3.11Å; Y368-M372 PolarHBondContact OH-SD 3.49Å
369F91.3Very high85.3Confident0 Ų075.9 Ų75.90%039%0.391CS..Hα-helixtrans-65.1-42.7178.1-84.7-132000111M249 M251 I261 L265 T365 I366 E367 E371 M372 F373M249-F369 HydrophobicContact CG-CE2 3.58Å; M249-F369 HydrophobicContact CG-CZ 3.58Å; M249-F369 HydrophobicContact SD-CE2 4.04Å; M249-F369 HydrophobicContact SD-CZ 3.9Å; M251-F369 HydrophobicContact CB-CD1 4.5Å; M251-F369 HydrophobicContact CB-CE1 4.09Å; M251-F369 HydrophobicContact CG-CD1 3.77Å; M251-F369 HydrophobicContact CG-CE1 3.68Å; M251-F369 HydrophobicContact CG-CG 4.35Å; M251-F369 HydrophobicContact CG-CZ 4.16Å; M251-F369 HydrophobicContact SD-CD1 4.44Å; I261-F369 HydrophobicContact CB-CD1 4.13Å; I261-F369 HydrophobicContact CB-CE1 4.28Å; I261-F369 HydrophobicContact CG2-CB 3.86Å; I261-F369 HydrophobicContact CG2-CD1 3.46Å; I261-F369 VanDerWaalsContact CG2-CD1 3.46Å; I261-F369 HydrophobicContact CG2-CD2 4.49Å; I261-F369 HydrophobicContact CG2-CE1 4.08Å; I261-F369 HydrophobicContact CG2-CG 3.7Å; L265-F369 HydrophobicContact CD1-CB 3.6Å; T365-F369 HydrophobicContact CG2-CD2 4.05Å; T365-F369 HydrophobicContact CG2-CE2 3.8Å; T365-F369 WeakPolarHBondContact O-CD2 3.34Å; T365-F369 PolarHBondContact O-N 2.93Å; I366-F369 PolarHBondContact O-N 3.15Å; E367-F369 PolarHBondContact O-N 3.28Å; F369-E371 PolarHBondContact O-N 3.38Å; F369-M372 WeakPolarHBondContact O-CA 3.15Å; F369-M372 WeakPolarHBondContact O-CB 3.37Å; F369-M372 PolarHBondContact O-N 2.64Å; F369-M372 VanDerWaalsContact O-N 3.09Å; F369-F373 WeakPolarHBondContact O-CD2 3.26Å; F369-F373 PolarHBondContact O-N 3.26Å
370N90.7Very high84.9Confident71 Ų7174.6 Ų74.638%0.3838%0.383SS..Hα-helixtrans-56.7-48.8175.2-85.9-29.6000111.9L265 I366 E367 M372 F373 T374L265-N370 WeakPolarHBondContact CD1-OD1 3.24Å; L265-N370 WeakPolarHBondContact CD2-OD1 3.41Å; I366-N370 WeakPolarHBondContact O-CB 3.35Å; I366-N370 PolarHBondContact O-N 3.38Å; E367-N370 WeakPolarHBondContact O-CB 3.4Å; E367-N370 PolarHBondContact O-N 2.81Å; N370-M372 PolarHBondContact O-N 3.31Å; N370-F373 PolarHBondContact O-N 3.41Å; N370-F373 VanDerWaalsContact O-N 3.14Å; N370-T374 PolarHBondContact O-N 2.96Å; N370-T374 PolarHBondContact O-OG1 2.84Å; N370-T374 VanDerWaalsContact O-OG1 3.08Å
371E91.1Very high84.4Confident92 Ų9273.6 Ų73.643%0.4338%0.377SS..Hα-helixtrans-58.6-38.4175.3-73.1-172.5-16000112.7E367 Y368 F369 K375E367-E371 PolarHBondContact O-N 2.82Å; Y368-E371 PolarHBondContact O-N 3Å; F369-E371 PolarHBondContact O-N 3.38Å; E371-K375 WeakPolarHBondContact O-CB 3.32Å; E371-K375 VanDerWaalsContact O-CG 3.31Å; E371-K375 WeakPolarHBondContact O-CG 3.49Å; E371-K375 PolarHBondContact O-N 2.98Å; E371-K375 IonicContact OE2-NZ 3.21Å; E371-K375 PolarHBondContact OE2-NZ 2.83Å
372M86.5Confident83.7Confident39 Ų3977.9 Ų77.919%0.19240%0.399CS..Hα-helixtrans-66.8-37177.1-76.4-152.969.600112.7M251 Y368 F369 N370 K376M251-M372 HydrophobicContact CE-CB 4.27Å; M251-M372 HydrophobicContact CE-CE 3.82Å; M251-M372 HydrophobicContact CE-SD 4.26Å; M251-M372 HydrophobicContact SD-CB 4.05Å; M251-M372 HydrophobicContact SD-SD 4.45Å; Y368-M372 HydrophobicContact CD1-CG 4.47Å; Y368-M372 HydrophobicContact CD1-SD 4.41Å; Y368-M372 HydrophobicContact CE1-CG 3.94Å; Y368-M372 HydrophobicContact CE1-SD 3.44Å; Y368-M372 WeakPolarHBondContact CE1-SD 3.24Å; Y368-M372 HydrophobicContact CE2-CG 4.37Å; Y368-M372 HydrophobicContact CE2-SD 4.48Å; Y368-M372 WeakPolarHBondContact O-CG 3.43Å; Y368-M372 PolarHBondContact O-N 3.11Å; Y368-M372 VanDerWaalsContact O-N 3.11Å; Y368-M372 PolarHBondContact OH-SD 3.49Å; F369-M372 WeakPolarHBondContact O-CA 3.15Å; F369-M372 WeakPolarHBondContact O-CB 3.37Å; F369-M372 PolarHBondContact O-N 2.64Å; F369-M372 VanDerWaalsContact O-N 3.09Å; N370-M372 PolarHBondContact O-N 3.31Å; M372-K376 WeakPolarHBondContact O-CG 3.34Å; M372-K376 PolarHBondContact O-N 2.85Å
373F81.2Confident83.2Confident27 Ų2782.5 Ų82.512%0.11842%0.422CS..Hα-helixtrans-67.8-47.7174.7-79.8-67.4000111.3M251 L265 Q266 F369 N370 K375 K376 M377M251-F373 HydrophobicContact SD-CD2 4.44Å; M251-F373 HydrophobicContact SD-CE1 4.4Å; M251-F373 HydrophobicContact SD-CE2 4.02Å; M251-F373 HydrophobicContact SD-CZ 3.99Å; L265-F373 HydrophobicContact CB-CD2 4.26Å; L265-F373 HydrophobicContact CB-CE2 4.02Å; L265-F373 HydrophobicContact CD1-CD2 3.93Å; L265-F373 HydrophobicContact CD1-CE2 3.9Å; Q266-F373 HydrophobicContact CG-CE1 4Å; Q266-F373 HydrophobicContact CG-CZ 4.03Å; F369-F373 WeakPolarHBondContact O-CD2 3.26Å; F369-F373 PolarHBondContact O-N 3.26Å; N370-F373 PolarHBondContact O-N 3.41Å; N370-F373 VanDerWaalsContact O-N 3.14Å; F373-K375 VanDerWaalsContact C-N 3.33Å; F373-K375 PolarHBondContact O-N 2.95Å; F373-K376 PolarHBondContact O-N 3.46Å; F373-M377 PolarHBondContact O-N 3Å
374T82.9Confident82.5Confident98 Ų9877.9 Ų77.960%0.60141%0.406SS*.Hα-helixtrans-59.2-43.1178.4-52.40000111.7N370 K376 M377 A378N370-T374 PolarHBondContact O-N 2.96Å; N370-T374 PolarHBondContact O-OG1 2.84Å; N370-T374 VanDerWaalsContact O-OG1 3.08Å; T374-K376 VanDerWaalsContact C-N 3.27Å; T374-K376 PolarHBondContact O-N 2.63Å; T374-M377 PolarHBondContact O-N 3.35Å; T374-A378 PolarHBondContact O-N 3.45Å
375K76.5Confident81.6Confident130 Ų13078.5 Ų78.557%0.56541%0.411SS*.Hα-helixtrans-70-16177.3-73.9172.6-177.9158.90114.7E371 F373E371-K375 WeakPolarHBondContact O-CB 3.32Å; E371-K375 VanDerWaalsContact O-CG 3.31Å; E371-K375 WeakPolarHBondContact O-CG 3.49Å; E371-K375 PolarHBondContact O-N 2.98Å; E371-K375 IonicContact OE2-NZ 3.21Å; E371-K375 PolarHBondContact OE2-NZ 2.83Å; F373-K375 VanDerWaalsContact C-N 3.33Å; F373-K375 PolarHBondContact O-N 2.95Å
376K63.6Low80.5Confident141 Ų14184.5 Ų84.561%0.61344%0.442SS*.Hα-helixtrans-87.7-24.2173.9-84.8-175.4175-174.30112.7M251 M372 F373 T374M251-K376 HydrophobicContact CE-CD 4.39Å; M251-K376 VanDerWaalsContact CE-NZ 3.35Å; M372-K376 WeakPolarHBondContact O-CG 3.34Å; M372-K376 PolarHBondContact O-N 2.85Å; F373-K376 PolarHBondContact O-N 3.46Å; T374-K376 VanDerWaalsContact C-N 3.27Å; T374-K376 PolarHBondContact O-N 2.63Å
377M56.4Low79.5Confident167 Ų16788.3 Ų88.382%0.82346%0.462SS*.Hα-helixtrans-88.8-26.7179.6-64.1-163-15600113.1F373 T374F373-M377 PolarHBondContact O-N 3Å; T374-M377 PolarHBondContact O-N 3.35Å
378A46.8Very low78.2Confident135 Ų13586.1 Ų86.1100%1.11646%0.457SS*.  trans-79016800000110.6T374T374-A378 PolarHBondContact O-N 3.45Å

Retrieved 378 of 378 residues in 533.8 ms (Link to these results)

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