A0A060WV54_ONCMY Loading...

ADP-ribosylation factor-like 10

AlphaFold DB , UniProt , Accession A0A060WV54, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 220 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
1M60.7Low71Confident215 Ų215120.6 Ų120.6100%1.05963%0.629SS**  0-30.30-68.7-176.2-149.900114.1
2V65.1Low71.2Confident104 Ų104117.9 Ų117.963%0.6362%0.621SS**Hα-helixtrans-68.8-40.6-177.8-179.10000113.5L4 R5 H6V2-L4 PolarHBondContact O-N 3.15Å; V2-R5 WeakPolarHBondContact O-CB 3.47Å; V2-R5 PolarHBondContact O-N 3.43Å; V2-H6 WeakPolarHBondContact CG1-NE2 3.39Å; V2-H6 PolarHBondContact O-CD2 3.1Å; V2-H6 PolarHBondContact O-N 2.95Å
3L67.9Low71.8Confident133 Ų133113.4 Ų113.470%0.69661%0.611SS**Hα-helixtrans-62.2-41.3-177.9-161.676.3000113.4R5 H6 I7L3-R5 VanDerWaalsContact C-N 3.28Å; L3-R5 PolarHBondContact O-N 3.15Å; L3-H6 PolarHBondContact O-N 3.34Å; L3-I7 HydrophobicContact CG-CD1 4.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.21Å; L3-I7 VanDerWaalsContact O-N 3.15Å
4L67.9Low72.6Confident135 Ų135108.7 Ų108.771%0.70760%0.596SS**Hα-helixtrans-63.3-33.4176.8-81.9140.5000112.4V2 S8V2-L4 PolarHBondContact O-N 3.15Å; L4-S8 WeakPolarHBondContact O-CB 3.36Å; L4-S8 PolarHBondContact O-N 3.38Å
5R67.4Low73.5Confident186 Ų186108.1 Ų108.170%0.70260%0.596SS**Hα-helixtrans-69.6-40.5178.6-163.7176.7-179.9-175.2-0.3111.5V2 L3 S8 I9V2-R5 WeakPolarHBondContact O-CB 3.47Å; V2-R5 PolarHBondContact O-N 3.43Å; L3-R5 VanDerWaalsContact C-N 3.28Å; L3-R5 PolarHBondContact O-N 3.15Å; R5-S8 PolarHBondContact O-N 3.32Å; R5-I9 HydrophobicContact CG-CD1 4.16Å; R5-I9 WeakPolarHBondContact O-CD1 3.44Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.3Å
6H73.7Confident74.2Confident119 Ų119104.9 Ų104.955%0.55159%0.589SS**Hα-helixtrans-68.6-38.8176.4-68.4-67000112.8V2 L3 I9 A10V2-H6 WeakPolarHBondContact CG1-NE2 3.39Å; V2-H6 PolarHBondContact O-CD2 3.1Å; V2-H6 PolarHBondContact O-N 2.95Å; L3-H6 PolarHBondContact O-N 3.34Å; H6-I9 PolarHBondContact O-N 3.17Å; H6-A10 WeakPolarHBondContact O-CB 3.35Å; H6-A10 PolarHBondContact O-N 3.42Å
7I76.4Confident74.8Confident93 Ų93102.3 Ų102.348%0.47758%0.583SS.*Hα-helixtrans-64.5-43.8175.3-65165.4000110.3L3 I9 A10 L11L3-I7 HydrophobicContact CG-CD1 4.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.21Å; L3-I7 VanDerWaalsContact O-N 3.15Å; I7-I9 PolarHBondContact O-N 2.96Å; I7-A10 PolarHBondContact O-N 2.95Å; I7-L11 HydrophobicContact CG2-CD1 4.5Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 PolarHBondContact O-N 3.38Å
8S72.2Confident75.5Confident71 Ų71105.6 Ų105.650%0.49759%0.59SS.*Hα-helixtrans-62.1-42.3177.5178.80000112.5L4 R5 L11 T12L4-S8 WeakPolarHBondContact O-CB 3.36Å; L4-S8 PolarHBondContact O-N 3.38Å; R5-S8 PolarHBondContact O-N 3.32Å; S8-L11 PolarHBondContact O-N 2.97Å; S8-T12 WeakPolarHBondContact O-CG2 3.46Å; S8-T12 PolarHBondContact O-N 2.72Å; S8-T12 PolarHBondContact O-OG1 3.02Å; S8-T12 VanDerWaalsContact O-OG1 3.13Å
9I77.4Confident75.9Confident95 Ų95102.2 Ų102.249%0.48758%0.581SS.*Hα-helixtrans-66.2-40.3176.4-66.7163.8000111.4R5 H6 I7 L11 T12 A13R5-I9 HydrophobicContact CG-CD1 4.16Å; R5-I9 WeakPolarHBondContact O-CD1 3.44Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.3Å; H6-I9 PolarHBondContact O-N 3.17Å; I7-I9 PolarHBondContact O-N 2.96Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-T12 WeakPolarHBondContact CA-OG1 3.5Å; I9-T12 PolarHBondContact O-OG1 2.98Å; I9-A13 WeakPolarHBondContact O-CB 3.24Å; I9-A13 PolarHBondContact O-N 3.13Å
10A77.1Confident76.3Confident62 Ų62100.6 Ų100.651%0.51258%0.577SS.*Hα-helixtrans-65.5-38.5176.800000111.7H6 I7 A14H6-A10 WeakPolarHBondContact O-CB 3.35Å; H6-A10 PolarHBondContact O-N 3.42Å; I7-A10 PolarHBondContact O-N 2.95Å; A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-A14 PolarHBondContact O-N 3.47Å
11L75.1Confident76.9Confident114 Ų11498.5 Ų98.560%0.59757%0.572SS**Hα-helixtrans-67.8-43.3178.5-133.1118000111.8I7 S8 I9 A14 V15I7-L11 HydrophobicContact CG2-CD1 4.5Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 PolarHBondContact O-N 3.38Å; S8-L11 PolarHBondContact O-N 2.97Å; I9-L11 VanDerWaalsContact C-N 3.33Å; L11-A14 PolarHBondContact O-N 3.04Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.48Å
12T73.1Confident78.2Confident88 Ų8893.4 Ų93.454%0.5455%0.548SS..Hα-helixtrans-66.8-39.7177.250.60000112S8 I9 V15 A16S8-T12 WeakPolarHBondContact O-CG2 3.46Å; S8-T12 PolarHBondContact O-N 2.72Å; S8-T12 PolarHBondContact O-OG1 3.02Å; S8-T12 VanDerWaalsContact O-OG1 3.13Å; I9-T12 WeakPolarHBondContact CA-OG1 3.5Å; I9-T12 PolarHBondContact O-OG1 2.98Å; T12-V15 PolarHBondContact O-N 3Å; T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 3.43Å
13A79.6Confident79Confident59 Ų5995.3 Ų95.349%0.48855%0.548SS..Hα-helixtrans-62.6-41.817400000112I9 A16 A17I9-A13 WeakPolarHBondContact O-CB 3.24Å; I9-A13 PolarHBondContact O-N 3.13Å; A13-A16 PolarHBondContact O-N 3.31Å; A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 3Å
14A82.1Confident79.8Confident48 Ų4894.5 Ų94.540%0.39754%0.543SS..Hα-helixtrans-64.3-44.4177.100000112.1A10 L11 A16 A17 F18A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-A14 PolarHBondContact O-N 3.47Å; L11-A14 PolarHBondContact O-N 3.04Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.03Å; A14-A17 PolarHBondContact O-N 3.42Å; A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 3.32Å
15V86.2Confident80.6Confident99 Ų9990.6 Ų90.660%0.653%0.531SS*.Hα-helixtrans-61.9-41176.4172.40000111.2L11 T12 G19L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.48Å; T12-V15 PolarHBondContact O-N 3Å; V15-G19 PolarHBondContact O-N 3.08Å
16A84.4Confident81.2Confident58 Ų5885.5 Ų85.548%0.47952%0.517SS..Hα-helixtrans-65.2-42.5176.900000112.3T12 A13 A14 G19 S20T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 3.43Å; A13-A16 PolarHBondContact O-N 3.31Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.03Å; A16-G19 PolarHBondContact O-N 3.38Å; A16-S20 WeakPolarHBondContact O-CB 3.35Å; A16-S20 PolarHBondContact O-N 3.46Å; A16-S20 PolarHBondContact O-OG 2.79Å
17A85.6Confident81.4Confident60 Ų6083.8 Ų83.850%0.49651%0.512SS..Hα-helixtrans-65.1-45178.200000111.9A13 A14 S20 A21A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 3Å; A14-A17 PolarHBondContact O-N 3.42Å; A17-S20 PolarHBondContact O-N 3.5Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.41Å
18F86.9Confident81.6Confident162 Ų16286 Ų8671%0.71152%0.515SS*.Hα-helixtrans-64.5-43.4175.4-94.5-83.2000112.3A14 S20 A21 L22A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 3.32Å; F18-S20 VanDerWaalsContact C-N 3.31Å; F18-S20 PolarHBondContact O-N 3.45Å; F18-A21 PolarHBondContact O-N 2.89Å; F18-L22 VanDerWaalsContact O-CB 3.25Å; F18-L22 WeakPolarHBondContact O-CB 3.2Å; F18-L22 PolarHBondContact O-N 3.45Å
19G82.6Confident81.9Confident41 Ų4188.1 Ų88.142%0.42352%0.516SS..Hα-helixtrans-60.4-41.4175.900000112.2V15 A16 F23V15-G19 PolarHBondContact O-N 3.08Å; A16-G19 PolarHBondContact O-N 3.38Å; G19-F23 VanDerWaalsContact O-CB 3.28Å; G19-F23 WeakPolarHBondContact O-CB 3.28Å; G19-F23 PolarHBondContact O-N 3.44Å
20S83.7Confident81.3Confident69 Ų6990 Ų9048%0.48352%0.518SS..Hα-helixtrans-67.5-45.1177.9-55.70000111.9A16 A17 F18 F23 I24A16-S20 WeakPolarHBondContact O-CB 3.35Å; A16-S20 PolarHBondContact O-N 3.46Å; A16-S20 PolarHBondContact O-OG 2.79Å; A17-S20 PolarHBondContact O-N 3.5Å; F18-S20 VanDerWaalsContact C-N 3.31Å; F18-S20 PolarHBondContact O-N 3.45Å; S20-F23 PolarHBondContact O-N 2.91Å; S20-I24 WeakPolarHBondContact O-CB 3.25Å; S20-I24 WeakPolarHBondContact O-CD1 3.44Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.36Å
21A89.9Confident80.5Confident58 Ų5897 Ų9748%0.47953%0.531SS..Hα-helixtrans-63.9-42177.200000111.7A17 F18 I24 A25A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.41Å; F18-A21 PolarHBondContact O-N 2.89Å; A21-I24 PolarHBondContact O-N 2.88Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.19Å; A21-A25 PolarHBondContact O-N 3.39Å
22L87.2Confident79.9Confident108 Ų108100.6 Ų100.657%0.56554%0.536SS*.Hα-helixtrans-66.4-40.9176.5-174.764.7000111.4F18 A25 L26F18-L22 VanDerWaalsContact O-CB 3.25Å; F18-L22 WeakPolarHBondContact O-CB 3.2Å; F18-L22 PolarHBondContact O-N 3.45Å; L22-A25 PolarHBondContact O-N 2.94Å; L22-L26 HydrophobicContact CD1-CD1 4.17Å; L22-L26 HydrophobicContact CD2-CD1 4.5Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 VanDerWaalsContact O-CB 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 PolarHBondContact O-N 3.43Å
23F81.8Confident78.9Confident144 Ų144105.3 Ų105.363%0.63255%0.545SS*.Hα-helixtrans-63.8-43.3175.1-178.1-98.1000111.9G19 S20 N27G19-F23 VanDerWaalsContact O-CB 3.28Å; G19-F23 WeakPolarHBondContact O-CB 3.28Å; G19-F23 PolarHBondContact O-N 3.44Å; S20-F23 PolarHBondContact O-N 2.91Å; F23-N27 WeakPolarHBondContact O-CB 3.26Å; F23-N27 PolarHBondContact O-N 3.38Å
24I85.2Confident77.6Confident115 Ų115107.4 Ų107.459%0.5955%0.547SS*.Hα-helixtrans-65-43.1176-67.7164.5000110.7S20 A21 N27 Y28S20-I24 WeakPolarHBondContact O-CB 3.25Å; S20-I24 WeakPolarHBondContact O-CD1 3.44Å; S20-I24 VanDerWaalsContact O-CG1 3.24Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.36Å; A21-I24 PolarHBondContact O-N 2.88Å; I24-N27 PolarHBondContact O-N 2.87Å; I24-Y28 WeakPolarHBondContact O-CB 3.21Å; I24-Y28 PolarHBondContact O-N 3.45Å
25A85.4Confident76.1Confident54 Ų54113.2 Ų113.245%0.44656%0.558SS.*Hα-helixtrans-67-44.3178.600000112.1A21 L22 Y28 F29A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.19Å; A21-A25 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 2.94Å; A25-Y28 PolarHBondContact O-N 2.99Å; A25-F29 WeakPolarHBondContact O-CB 3.46Å; A25-F29 PolarHBondContact O-N 2.93Å
26L79.4Confident74.3Confident79 Ų79110.6 Ų110.641%0.41454%0.544SS..Hα-helixtrans-62.1-46.7173.2-89.5159.1000110.7L22 Y28 F29 Y30L22-L26 HydrophobicContact CD1-CD1 4.17Å; L22-L26 HydrophobicContact CD2-CD1 4.5Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 VanDerWaalsContact O-CB 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 PolarHBondContact O-N 3.43Å; L26-Y28 PolarHBondContact O-N 3.35Å; L26-F29 PolarHBondContact O-N 2.98Å; L26-Y30 HydrophobicContact CD2-CD2 3.91Å; L26-Y30 HydrophobicContact CD2-CE2 3.75Å; L26-Y30 VanDerWaalsContact O-CB 3.24Å; L26-Y30 WeakPolarHBondContact O-CB 3.22Å; L26-Y30 WeakPolarHBondContact O-CD2 3.35Å; L26-Y30 PolarHBondContact O-N 2.86Å
27N77.8Confident72.9Confident83 Ų83112.8 Ų112.844%0.44455%0.554SS.*Hα-helixtrans-63.2-43.8178.5-170.324.8000110.6F23 I24 F29 Y30 R31F23-N27 WeakPolarHBondContact O-CB 3.26Å; F23-N27 PolarHBondContact O-N 3.38Å; I24-N27 PolarHBondContact O-N 2.87Å; N27-F29 PolarHBondContact O-N 2.88Å; N27-Y30 PolarHBondContact O-N 2.95Å; N27-R31 WeakPolarHBondContact O-CB 3.47Å; N27-R31 PolarHBondContact O-N 2.8Å
28Y80.6Confident71.6Confident139 Ų139116.3 Ų116.355%0.54556%0.56SS.*Hα-helixtrans-62.3-42.5175.6-177.6-100.8000112.5I24 A25 L26 R32I24-Y28 WeakPolarHBondContact O-CB 3.21Å; I24-Y28 PolarHBondContact O-N 3.45Å; A25-Y28 PolarHBondContact O-N 2.99Å; L26-Y28 PolarHBondContact O-N 3.35Å; Y28-R32 WeakPolarHBondContact O-CB 3.24Å; Y28-R32 PolarHBondContact O-N 2.93Å; Y28-R32 VanDerWaalsContact O-N 3.08Å; Y28-R32 PolarHBondContact OH-NE 3.45Å; Y28-R32 PolarHBondContact OH-NH2 2.82Å; Y28-R32 VanDerWaalsContact OH-NH2 3.1Å
29F78.9Confident70.1Confident116 Ų116110.4 Ų110.451%0.50954%0.541SS..Hα-helixtrans-69.7-43.2178.2-171.1-102.5000112.1A25 L26 N27 R32 R33A25-F29 WeakPolarHBondContact O-CB 3.46Å; A25-F29 PolarHBondContact O-N 2.93Å; L26-F29 PolarHBondContact O-N 2.98Å; N27-F29 PolarHBondContact O-N 2.88Å; F29-R32 PolarHBondContact O-N 3.11Å; F29-R33 VanDerWaalsContact O-CB 3.26Å; F29-R33 WeakPolarHBondContact O-CB 2.84Å; F29-R33 PolarHBondContact O-N 3.31Å
30Y65.3Low68.7Low135 Ų135112.8 Ų112.853%0.52954%0.541SS..Hα-helixtrans-67.6-37.2175-93.6-79.1000111.8L26 N27 R32 R33 I34L26-Y30 HydrophobicContact CD2-CD2 3.91Å; L26-Y30 HydrophobicContact CD2-CE2 3.75Å; L26-Y30 VanDerWaalsContact O-CB 3.24Å; L26-Y30 WeakPolarHBondContact O-CB 3.22Å; L26-Y30 WeakPolarHBondContact O-CD2 3.35Å; L26-Y30 PolarHBondContact O-N 2.86Å; N27-Y30 PolarHBondContact O-N 2.95Å; Y30-R32 VanDerWaalsContact C-N 3.29Å; Y30-R32 PolarHBondContact O-N 3.49Å; Y30-R33 PolarHBondContact O-N 3.44Å; Y30-I34 HydrophobicContact CD1-CD1 3.5Å; Y30-I34 HydrophobicContact CD1-CG1 3.94Å; Y30-I34 HydrophobicContact CE1-CD1 4.29Å; Y30-I34 HydrophobicContact CG-CD1 4.35Å; Y30-I34 WeakPolarHBondContact O-CA 3.12Å; Y30-I34 VanDerWaalsContact O-CB 3.22Å; Y30-I34 WeakPolarHBondContact O-CB 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.38Å; Y30-I34 PolarHBondContact O-N 2.84Å
31R60.5Low67.3Low208 Ų208116.5 Ų116.579%0.78555%0.546SS*.Hα-helixtrans-69-26.6174.6-136.8179.5-162.8-130.52.8113N27N27-R31 WeakPolarHBondContact O-CB 3.47Å; N27-R31 PolarHBondContact O-N 2.8Å
32R60.8Low65.6Low189 Ų189120.3 Ų120.371%0.71355%0.548SS*.Hα-helixtrans-82.8-22.7172.4-86.1-170.9165.5-159.6-3.5113.6Y28 F29 Y30Y28-R32 WeakPolarHBondContact O-CB 3.24Å; Y28-R32 PolarHBondContact O-N 2.93Å; Y28-R32 VanDerWaalsContact O-N 3.08Å; Y28-R32 PolarHBondContact OH-NE 3.45Å; Y28-R32 PolarHBondContact OH-NH2 2.82Å; Y28-R32 VanDerWaalsContact OH-NH2 3.1Å; F29-R32 PolarHBondContact O-N 3.11Å; Y30-R32 VanDerWaalsContact C-N 3.29Å; Y30-R32 PolarHBondContact O-N 3.49Å
33R53.6Low63.8Low188 Ų188120 Ų12071%0.70955%0.545SS*.Hα-helixtrans-106.1-22.5-174.8-154.1172.6-172.1164.62.1113.7F29 Y30 W35F29-R33 VanDerWaalsContact O-CB 3.26Å; F29-R33 WeakPolarHBondContact O-CB 2.84Å; F29-R33 PolarHBondContact O-N 3.31Å; Y30-R33 PolarHBondContact O-N 3.44Å; R33-W35 PolarHBondContact O-N 3.32Å
34I51.3Low62.4Low103 Ų103117.2 Ų117.253%0.52854%0.536SS..SBendtrans-87.684.1167.4-60.8172.5000107.2Y30 S36Y30-I34 HydrophobicContact CD1-CD1 3.5Å; Y30-I34 HydrophobicContact CD1-CG1 3.94Å; Y30-I34 HydrophobicContact CE1-CD1 4.29Å; Y30-I34 HydrophobicContact CG-CD1 4.35Å; Y30-I34 WeakPolarHBondContact O-CA 3.12Å; Y30-I34 VanDerWaalsContact O-CB 3.22Å; Y30-I34 WeakPolarHBondContact O-CB 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.38Å; Y30-I34 PolarHBondContact O-N 2.84Å; I34-S36 PolarHBondContact O-N 3.44Å
35W50.3Low60.9Low169 Ų169116.5 Ų116.564%0.6453%0.529SS*.  -1.4102127.3-162.1-70.4000112.9R33 E40R33-W35 PolarHBondContact O-N 3.32Å; W35-E40 HydrophobicContact CZ2-CG 4.11Å; W35-E40 PolarHBondContact NE1-OE2 2.79Å
36S49.6Very low59.1Low44 Ų44119.3 Ų119.331%0.30853%0.533SS..  trans-74.8146.1175.561.50000109.6I34 E38 A39 E40I34-S36 PolarHBondContact O-N 3.44Å; S36-E38 PolarHBondContact O-N 2.99Å; S36-E38 VanDerWaalsContact O-N 3.09Å; S36-A39 PolarHBondContact O-N 3.19Å; S36-A39 VanDerWaalsContact OG-CB 3.29Å; S36-A39 WeakPolarHBondContact OG-CB 3.32Å; S36-A39 PolarHBondContact OG-N 3.34Å; S36-E40 PolarHBondContact O-N 3.47Å
37P54.5Low57.7Low105 Ų105121.9 Ų121.968%0.68254%0.543SS*.Hα-helixtrans-54.1-28.7170.8-2533.4000112.3Y41P37-Y41 WeakPolarHBondContact O-CB 3.28Å; P37-Y41 PolarHBondContact O-N 2.74Å
38E57.2Low56.2Low134 Ų134123.3 Ų123.363%0.62655%0.547SS*.Hα-helixtrans-67.3-47.5173.1-66.7161.1175.300111.5S36 Y41 Y42S36-E38 PolarHBondContact O-N 2.99Å; S36-E38 VanDerWaalsContact O-N 3.09Å; E38-Y41 CarbonylContact O-C 3.57Å; E38-Y41 WeakPolarHBondContact O-CB 3.43Å; E38-Y41 PolarHBondContact O-N 3.07Å; E38-Y42 HydrophobicContact CB-CD2 4.29Å; E38-Y42 HydrophobicContact CB-CE2 4.04Å; E38-Y42 WeakPolarHBondContact O-CB 3.49Å; E38-Y42 WeakPolarHBondContact O-CD2 3.33Å; E38-Y42 PolarHBondContact O-N 3.3Å
39A57.1Low54.7Low38 Ų38122.3 Ų122.331%0.31455%0.547SS..Hα-helixtrans-65.1-40.6176.300000111.5S36 Y41 Y42 M43S36-A39 PolarHBondContact O-N 3.19Å; S36-A39 VanDerWaalsContact OG-CB 3.29Å; S36-A39 WeakPolarHBondContact OG-CB 3.32Å; S36-A39 PolarHBondContact OG-N 3.34Å; A39-Y41 VanDerWaalsContact C-N 3.3Å; A39-Y41 PolarHBondContact O-N 2.79Å; A39-Y42 PolarHBondContact O-N 3.47Å; A39-M43 WeakPolarHBondContact O-CB 3.29Å; A39-M43 WeakPolarHBondContact O-CG 3.21Å; A39-M43 PolarHBondContact O-N 3.39Å
40E53Low53.4Low91 Ų91124.7 Ų124.743%0.42556%0.56SS.*Hα-helixtrans-58.2-45.4170.9-156.2161.8171.900111.5W35 S36 M43 I44W35-E40 HydrophobicContact CZ2-CG 4.11Å; W35-E40 PolarHBondContact NE1-OE2 2.79Å; S36-E40 PolarHBondContact O-N 3.47Å; E40-M43 PolarHBondContact O-N 3.2Å; E40-I44 HydrophobicContact CG-CD1 3.78Å; E40-I44 HydrophobicContact CG-CG1 4.45Å; E40-I44 VanDerWaalsContact O-CB 3.26Å; E40-I44 WeakPolarHBondContact O-CB 3.41Å; E40-I44 WeakPolarHBondContact O-CD1 3.09Å; E40-I44 WeakPolarHBondContact O-CG1 3.24Å; E40-I44 PolarHBondContact O-N 3.4Å
41Y53.9Low53.1Low147 Ų147124 Ų12458%0.57656%0.556SS**Hα-helixtrans-64.6-41.5178.5178.4-95.4000112.4P37 E38 A39 K45P37-Y41 WeakPolarHBondContact O-CB 3.28Å; P37-Y41 PolarHBondContact O-N 2.74Å; E38-Y41 CarbonylContact O-C 3.57Å; E38-Y41 WeakPolarHBondContact O-CB 3.43Å; E38-Y41 PolarHBondContact O-N 3.07Å; A39-Y41 VanDerWaalsContact C-N 3.3Å; A39-Y41 PolarHBondContact O-N 2.79Å; Y41-K45 HydrophobicContact CE1-CD 4.46Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.82Å
42Y53.5Low54Low137 Ų137115.4 Ų115.454%0.53753%0.532SS..Hα-helixtrans-68.7-41.9176.2-72.3-63.8000111.5E38 A39 K45 E46E38-Y42 HydrophobicContact CB-CD2 4.29Å; E38-Y42 HydrophobicContact CB-CE2 4.04Å; E38-Y42 WeakPolarHBondContact O-CB 3.49Å; E38-Y42 WeakPolarHBondContact O-CD2 3.33Å; E38-Y42 PolarHBondContact O-N 3.3Å; A39-Y42 PolarHBondContact O-N 3.47Å; Y42-K45 PolarHBondContact O-N 2.84Å; Y42-E46 WeakPolarHBondContact O-CB 3.42Å; Y42-E46 WeakPolarHBondContact O-CG 3.25Å; Y42-E46 PolarHBondContact O-N 3.01Å
43M50.4Low55.3Low102 Ų102111 Ų11150%0.50252%0.518SS..Hα-helixtrans-68.2-40.2176.6-64.8-60.4-62.800112A39 E40 K45 E46 E47A39-M43 WeakPolarHBondContact O-CB 3.29Å; A39-M43 WeakPolarHBondContact O-CG 3.21Å; A39-M43 PolarHBondContact O-N 3.39Å; E40-M43 PolarHBondContact O-N 3.2Å; M43-K45 VanDerWaalsContact C-N 3.33Å; M43-E46 PolarHBondContact O-N 3.26Å; M43-E47 WeakPolarHBondContact O-CB 3.22Å; M43-E47 PolarHBondContact O-N 2.75Å
44I52.6Low57.2Low86 Ų86105.7 Ų105.744%0.44150%0.498SS..Hα-helixtrans-64.5-39173.1-70.4166.9000110.6E40 H48E40-I44 HydrophobicContact CG-CD1 3.78Å; E40-I44 HydrophobicContact CG-CG1 4.45Å; E40-I44 VanDerWaalsContact O-CB 3.26Å; E40-I44 WeakPolarHBondContact O-CB 3.41Å; E40-I44 WeakPolarHBondContact O-CD1 3.09Å; E40-I44 WeakPolarHBondContact O-CG1 3.24Å; E40-I44 PolarHBondContact O-N 3.4Å; I44-H48 WeakPolarHBondContact O-CB 3.41Å; I44-H48 PolarHBondContact O-N 3.44Å
45K52.3Low59.3Low99 Ų99102.8 Ų102.843%0.4348%0.482SS..Hα-helixtrans-69.9-40.3178.1-171.6-179.6176-170.60111.8Y41 Y42 M43 H48 E49Y41-K45 HydrophobicContact CE1-CD 4.46Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.82Å; Y42-K45 PolarHBondContact O-N 2.84Å; M43-K45 VanDerWaalsContact C-N 3.33Å; K45-H48 CarbonylContact O-C 3.6Å; K45-H48 PolarHBondContact O-N 2.88Å; K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 PolarHBondContact O-N 3.43Å
46E49.2Very low61.5Low113 Ų11394.7 Ų94.753%0.52845%0.452SS..Hα-helixtrans-68.8-43.1175.9-78.2-175.7170.100111.8Y42 M43 H48 E49 E50Y42-E46 WeakPolarHBondContact O-CB 3.42Å; Y42-E46 WeakPolarHBondContact O-CG 3.25Å; Y42-E46 PolarHBondContact O-N 3.01Å; M43-E46 PolarHBondContact O-N 3.26Å; E46-H48 VanDerWaalsContact C-N 3.33Å; E46-H48 PolarHBondContact O-N 2.74Å; E46-E49 CarbonylContact O-C 3.57Å; E46-E49 WeakPolarHBondContact O-CA 3.48Å; E46-E49 PolarHBondContact O-N 3.24Å; E46-E50 PolarHBondContact O-N 3.06Å
47E48.5Very low63.8Low134 Ų13492.6 Ų92.663%0.62644%0.437SS*.Hα-helixtrans-64.3-35.7173.4-78.5-171.7164.400112.4M43 E49M43-E47 WeakPolarHBondContact O-CB 3.22Å; M43-E47 PolarHBondContact O-N 2.75Å; E47-E49 VanDerWaalsContact C-N 3.32Å
48H47.9Very low65.9Low113 Ų11387.8 Ų87.852%0.52341%0.405SS..Hα-helixtrans-73-20.4170.3-97.2-82.7000113.7I44 K45 E46I44-H48 WeakPolarHBondContact O-CB 3.41Å; I44-H48 PolarHBondContact O-N 3.44Å; K45-H48 CarbonylContact O-C 3.6Å; K45-H48 PolarHBondContact O-N 2.88Å; E46-H48 VanDerWaalsContact C-N 3.33Å; E46-H48 PolarHBondContact O-N 2.74Å
49E48.8Very low67.8Low117 Ų11781.4 Ų81.455%0.54738%0.376SS..Hα-helixtrans-85.2-25.7172.9-97.7172.6167.800112.5K45 E46 E47 R51K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 PolarHBondContact O-N 3.43Å; E46-E49 CarbonylContact O-C 3.57Å; E46-E49 WeakPolarHBondContact O-CA 3.48Å; E46-E49 PolarHBondContact O-N 3.24Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.79Å
50E51.3Low69.8Low167 Ų16779.6 Ų79.678%0.7836%0.361SS*.Hα-helixtrans-67.5-26.5177.9-82.9-161.915600113.4E46 G52E46-E50 PolarHBondContact O-N 3.06Å; E50-G52 PolarHBondContact O-N 3.26Å
51R58.5Low72Confident120 Ų12075.7 Ų75.745%0.45334%0.343SS..SBendtrans-83.387.8162.8-73-170.6-177.7-167.22.9109.2E49 K53 S96 A97E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.79Å; R51-K53 PolarHBondContact O-N 3.02Å; R51-S96 PolarHBondContact NH1-OG 3.07Å; R51-A97 PolarHBondContact NH1-O 3.42Å
52G79.5Confident74Confident27 Ų2771.7 Ų71.728%0.27833%0.331SS..  trans-45.7115.3-175.900000112.9E50 R54 C100E50-G52 PolarHBondContact O-N 3.26Å; G52-R54 PolarHBondContact O-NH1 2.98Å; G52-C100 VanDerWaalsContact O-CB 3.25Å; G52-C100 WeakPolarHBondContact O-CB 3.38Å
53K87.7Confident76Confident98 Ų9867.5 Ų67.543%0.42633%0.33SS..EExtended strand (participates in β ladder)trans-68.6137.8-178.4-65175.6-177.2169.10110.5R51 Q101R51-K53 PolarHBondContact O-N 3.02Å; K53-Q101 HydrophobicContact CG-CB 4.26Å
54R93.4Very high78.2Confident75 Ų7562.8 Ų62.828%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-126.5115.1-179.2-65.6-63.6-164.6-82.5-4.9109.5G52 C100 Q101 L102 D103 H125 V220G52-R54 PolarHBondContact O-NH1 2.98Å; R54-C100 HydrophobicContact CG-CB 4.24Å; R54-Q101 PolarHBondContact N-O 2.77Å; R54-L102 HydrophobicContact CB-CD2 3.99Å; R54-L102 WeakPolarHBondContact O-CA 3.35Å; R54-D103 PolarHBondContact O-N 2.93Å; R54-H125 WeakPolarHBondContact CD-CD2 3.44Å; R54-V220 HydrophobicContact CB-CB 4.05Å; R54-V220 HydrophobicContact CB-CG1 3.97Å; R54-V220 HydrophobicContact CB-CG2 4.3Å; R54-V220 HydrophobicContact CG-CB 3.7Å; R54-V220 HydrophobicContact CG-CG1 4.19Å; R54-V220 HydrophobicContact CG-CG2 3.9Å; R54-V220 PolarHBondContact NE-O 3.18Å; R54-V220 PolarHBondContact NH2-O 3.3Å
55Q95.1Very high80.2Confident42 Ų4259.3 Ų59.320%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-84.8127.1-179.7178.6171.282.400111.1D103 K123 H125 V126Q55-D103 CarbonylContact C-O 3.57Å; Q55-D103 WeakPolarHBondContact CA-O 3.43Å; Q55-K123 WeakPolarHBondContact CB-O 3.35Å; Q55-K123 PolarHBondContact OE1-O 3.32Å; Q55-K123 VanDerWaalsContact OE1-O 3.1Å; Q55-H125 PolarHBondContact N-ND1 2.87Å; Q55-H125 VanDerWaalsContact N-ND1 3.12Å; Q55-H125 WeakPolarHBondContact O-CB 3.43Å; Q55-H125 PolarHBondContact O-N 3.14Å; Q55-V126 PolarHBondContact O-N 3.24Å
56V97.1Very high82.2Confident0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-110117173.2-175.40000108.2L102 D103 F104 L105 V126 V128 I216V56-L102 HydrophobicContact CG2-CD2 4.34Å; V56-D103 PolarHBondContact N-O 3.07Å; V56-F104 HydrophobicContact CB-CD1 3.78Å; V56-F104 HydrophobicContact CB-CE1 3.95Å; V56-F104 HydrophobicContact CB-CG 4.27Å; V56-F104 HydrophobicContact CG1-CD1 3.72Å; V56-F104 HydrophobicContact CG1-CE1 3.69Å; V56-F104 HydrophobicContact CG2-CD1 4.43Å; V56-F104 HydrophobicContact CG2-CE1 4.18Å; V56-F104 HydrophobicContact CG2-CZ 4.33Å; V56-F104 CarbonylContact O-C 3.55Å; V56-F104 WeakPolarHBondContact O-CA 3.26Å; V56-L105 PolarHBondContact O-N 3.45Å; V56-V126 WeakPolarHBondContact CA-O 3.41Å; V56-V128 HydrophobicContact CG1-CB 4.36Å; V56-V128 HydrophobicContact CG1-CG2 3.46Å; V56-V128 VanDerWaalsContact CG1-CG2 3.46Å; V56-I216 HydrophobicContact CG1-CD1 4.44Å; V56-I216 HydrophobicContact CG2-CG2 3.63Å
57L98Very high84.3Confident0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-92126.9178.2-172.668.7000109.5L59 L105 I107 Y120 L121 T124 V126 L127 V128L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD2-CD1 3.67Å; L57-L59 HydrophobicContact CD2-CD2 4.24Å; L57-L59 HydrophobicContact CD2-CG 3.94Å; L57-L59 HydrophobicContact CG-CD1 4.18Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 3.86Å; L57-L105 HydrophobicContact CD1-CB 4.19Å; L57-L105 HydrophobicContact CD1-CD2 3.96Å; L57-L105 HydrophobicContact CD1-CG 4.04Å; L57-I107 HydrophobicContact CD1-CG1 4.08Å; L57-Y120 HydrophobicContact CD1-CG 4.4Å; L57-L121 HydrophobicContact CD2-CD2 3.92Å; L57-L121 HydrophobicContact CD2-CG 4.47Å; L57-T124 HydrophobicContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-OG1 3.31Å; L57-T124 WeakPolarHBondContact CB-OG1 3.21Å; L57-V126 PolarHBondContact N-O 3.01Å; L57-L127 HydrophobicContact CB-CD1 4.44Å; L57-L127 HydrophobicContact CD2-CD1 4.39Å; L57-V128 PolarHBondContact O-N 3.42Å
58V98.1Very high86.4Confident3 Ų346 Ų462%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-110.1107.6-178.6-171.30000109.9K66 L70 F104 L105 E106 I107 V128 V130V58-K66 HydrophobicContact CG1-CB 4.08Å; V58-K66 HydrophobicContact CG1-CD 4.35Å; V58-K66 HydrophobicContact CG1-CG 4.13Å; V58-L70 HydrophobicContact CG2-CD2 4.14Å; V58-F104 HydrophobicContact CG2-CD1 3.95Å; V58-L105 PolarHBondContact N-O 2.85Å; V58-E106 HydrophobicContact CB-CB 4.22Å; V58-E106 WeakPolarHBondContact O-CA 3.42Å; V58-I107 PolarHBondContact O-N 2.92Å; V58-V128 WeakPolarHBondContact CA-O 3.4Å; V58-V128 HydrophobicContact CG1-CG1 4.38Å; V58-V128 HydrophobicContact CG2-CB 4.26Å; V58-V130 HydrophobicContact CG1-CG2 4.03Å
59L98.5Very high88.3Confident0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-122.1173.4-178.1-57.8-177.2000111.6L57 K66 I107 W117 L127 V128 Y129 V130 L149L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD2-CD1 3.67Å; L57-L59 HydrophobicContact CD2-CD2 4.24Å; L57-L59 HydrophobicContact CD2-CG 3.94Å; L57-L59 HydrophobicContact CG-CD1 4.18Å; L57-L59 HydrophobicContact CG-CD2 4.04Å; L57-L59 HydrophobicContact CG-CG 3.86Å; L59-K66 VanDerWaalsContact C-CD 3.49Å; L59-I107 HydrophobicContact CD2-CB 3.74Å; L59-I107 HydrophobicContact CD2-CG1 3.86Å; L59-W117 HydrophobicContact CB-CD2 4.42Å; L59-W117 HydrophobicContact CB-CE3 4.48Å; L59-W117 HydrophobicContact CB-CZ2 4.48Å; L59-W117 HydrophobicContact CD1-CB 3.91Å; L59-W117 HydrophobicContact CD1-CD2 4.04Å; L59-W117 HydrophobicContact CD1-CE3 4.19Å; L59-W117 HydrophobicContact CD1-CG 3.98Å; L59-W117 HydrophobicContact CD2-CB 4.41Å; L59-W117 HydrophobicContact CD2-CD2 4.07Å; L59-W117 HydrophobicContact CD2-CG 3.86Å; L59-W117 HydrophobicContact CG-CD2 4.42Å; L59-W117 HydrophobicContact CG-CG 4.48Å; L59-L127 HydrophobicContact CB-CD1 4.1Å; L59-L127 HydrophobicContact CD1-CD1 3.82Å; L59-L127 HydrophobicContact CG-CD1 3.9Å; L59-V128 PolarHBondContact N-O 2.9Å; L59-Y129 HydrophobicContact CB-CD2 4.06Å; L59-Y129 HydrophobicContact CB-CE2 4.38Å; L59-V130 PolarHBondContact O-N 2.92Å; L59-L149 HydrophobicContact CD1-CD1 3.59Å; L59-L149 HydrophobicContact CD1-CD2 4.1Å
60G98.4Very high90.3Very high0 Ų035.7 Ų35.70%019%0.19CC..  trans137.7159.8-175.500000111.3K66 G109 W117 V130G60-K66 PolarHBondContact O-NZ 3.1Å; G60-G109 WeakPolarHBondContact O-CA 3.47Å; G60-W117 VanDerWaalsContact O-CZ2 3.29Å; G60-W117 WeakPolarHBondContact O-CZ2 3.43Å; G60-V130 WeakPolarHBondContact CA-O 3.34Å
61L98.4Very high92Very high9 Ų931.4 Ų31.45%0.04717%0.17CC..  trans-59158.3-176.6-55.3-174.3000112.1A64 K66 R138 Q141 A142 E145L61-A64 WeakPolarHBondContact O-CB 3.43Å; L61-A64 PolarHBondContact O-N 3.32Å; L61-A64 VanDerWaalsContact O-N 3.14Å; L61-K66 PolarHBondContact O-NZ 3.07Å; L61-R138 HydrophobicContact CD1-CB 3.91Å; L61-Q141 HydrophobicContact CD1-CB 4.25Å; L61-Q141 HydrophobicContact CD1-CG 4.29Å; L61-Q141 HydrophobicContact CD2-CG 4.28Å; L61-A142 HydrophobicContact CD1-CB 3.82Å; L61-A142 HydrophobicContact CG-CB 4.07Å; L61-E145 HydrophobicContact CD2-CG 4.38Å
62D97.1Very high93.3Very high63 Ų6325.9 Ų25.934%0.33715%0.15SC..THydrogen-bonded Turntrans-54.5141.616958-76.3000110.8A64 G109 R114 R138D62-A64 PolarHBondContact O-N 3.13Å; D62-G109 PolarHBondContact N-O 3.01Å; D62-G109 VanDerWaalsContact OD1-O 3.09Å; D62-R114 IonicContact OD1-NH2 2.84Å; D62-R114 PolarHBondContact OD1-NH2 3.05Å; D62-R138 PolarHBondContact O-NH1 2.89Å; D62-R138 PolarHBondContact O-NH2 2.94Å; D62-R138 IonicContact OD1-NH1 2.68Å; D62-R138 IonicContact OD2-NH1 3.81Å; D62-R138 PolarHBondContact OD2-NH1 2.99Å; D62-R138 VanDerWaalsContact OD2-NH1 3.13Å
63G95.3Very high93.4Very high50 Ų5025.2 Ų25.252%0.51514%0.14SC..THydrogen-bonded Turntrans72.3-2.1-175.500000115.5G65 K164G63-G65 PolarHBondContact O-N 2.85Å; G63-K164 VanDerWaalsContact O-CE 3.27Å; G63-K164 WeakPolarHBondContact O-CE 3.14Å; G63-K164 PolarHBondContact O-NZ 3.44Å
64A96.7Very high92.9Very high2 Ų224.2 Ų24.22%0.01714%0.143CC..SBendtrans-63.1-22.8178.600000114.2L61 D62 V130 N163L61-A64 WeakPolarHBondContact O-CB 3.43Å; L61-A64 PolarHBondContact O-N 3.32Å; L61-A64 VanDerWaalsContact O-N 3.14Å; D62-A64 PolarHBondContact O-N 3.13Å; A64-V130 HydrophobicContact CB-CB 4.36Å; A64-V130 HydrophobicContact CB-CG1 4.1Å; A64-V130 WeakPolarHBondContact CB-O 3.32Å; A64-N163 PolarHBondContact O-ND2 2.81Å
65G94.4Very high91.4Very high13 Ų1321.8 Ų21.813%0.13414%0.138CC..SBendtrans103.218.4177.300000115.4G63 S67 S68 I69G63-G65 PolarHBondContact O-N 2.85Å; G65-S67 PolarHBondContact O-N 2.9Å; G65-S68 PolarHBondContact O-N 3.12Å; G65-I69 WeakPolarHBondContact O-CG1 3.49Å; G65-I69 PolarHBondContact O-N 2.84Å
66K95.3Very high89.5Confident10 Ų1023 Ų234%0.04316%0.162CC..Hα-helixtrans-48.3-58.9176.3-62.6-177.3-61.1-73.90113V58 L59 G60 L61 S68 I69 L70 E106 I107 V130V58-K66 HydrophobicContact CG1-CB 4.08Å; V58-K66 HydrophobicContact CG1-CD 4.35Å; V58-K66 HydrophobicContact CG1-CG 4.13Å; L59-K66 VanDerWaalsContact C-CD 3.49Å; G60-K66 PolarHBondContact O-NZ 3.1Å; L61-K66 PolarHBondContact O-NZ 3.07Å; K66-S68 PolarHBondContact O-N 3.04Å; K66-I69 PolarHBondContact O-N 3.48Å; K66-L70 PolarHBondContact O-N 2.91Å; K66-E106 HydrophobicContact CB-CG 4.27Å; K66-E106 WeakPolarHBondContact CB-OE1 3.42Å; K66-I107 WeakPolarHBondContact CE-O 3.07Å; K66-V130 HydrophobicContact CG-CB 3.82Å; K66-V130 HydrophobicContact CG-CG1 4.48Å; K66-V130 HydrophobicContact CG-CG2 3.84Å
67S93.2Very high87.3Confident17 Ų1730.4 Ų30.412%0.11920%0.202CC..Hα-helixtrans-62.2-33.7-178.4-27.40000112.2G65 L70 Q71 T87 E106G65-S67 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 2.95Å; S67-Q71 WeakPolarHBondContact O-CB 3.35Å; S67-Q71 VanDerWaalsContact O-CG 3.29Å; S67-Q71 WeakPolarHBondContact O-CG 3.37Å; S67-Q71 PolarHBondContact O-N 3.33Å; S67-T87 PolarHBondContact OG-OG1 3.42Å; S67-E106 WeakPolarHBondContact CA-OE1 3.31Å; S67-E106 WeakPolarHBondContact CA-OE2 3.39Å; S67-E106 WeakPolarHBondContact CB-OE1 3.42Å; S67-E106 WeakPolarHBondContact CB-OE2 3.47Å; S67-E106 PolarHBondContact N-OE1 2.77Å; S67-E106 VanDerWaalsContact OG-CD 3.32Å; S67-E106 PolarHBondContact OG-OE1 2.9Å; S67-E106 PolarHBondContact OG-OE2 2.86Å
68S90.9Very high84.8Confident39 Ų3933.9 Ų33.927%0.27324%0.238SC..Hα-helixtrans-69.4-39.2178.2-51.10000112.1G65 K66 Q71 G72 C84 L198G65-S68 PolarHBondContact O-N 3.12Å; K66-S68 PolarHBondContact O-N 3.04Å; S68-Q71 PolarHBondContact O-N 3.39Å; S68-G72 PolarHBondContact O-N 2.91Å; S68-C84 PolarHBondContact OG-SG 2.77Å; S68-C84 VanDerWaalsContact OG-SG 3.38Å; S68-L198 WeakPolarHBondContact O-CD2 3.5Å
69I89.7Confident82.5Confident10 Ų1036 Ų365%0.05126%0.26CS..Hα-helixtrans-63.7-45.9173.1-68.6170000109.9G65 K66 Q71 G72 L73 V130 L161 N163G65-I69 WeakPolarHBondContact O-CG1 3.49Å; G65-I69 PolarHBondContact O-N 2.84Å; K66-I69 PolarHBondContact O-N 3.48Å; I69-Q71 PolarHBondContact O-N 3.03Å; I69-G72 WeakPolarHBondContact O-CA 3.47Å; I69-G72 PolarHBondContact O-N 3.21Å; I69-G72 VanDerWaalsContact O-N 3.09Å; I69-L73 PolarHBondContact O-N 3.21Å; I69-V130 HydrophobicContact CD1-CG1 3.65Å; I69-V130 HydrophobicContact CD1-CG2 4.05Å; I69-L161 HydrophobicContact CD1-CD1 3.89Å; I69-L161 HydrophobicContact CG2-CD1 4.25Å; I69-N163 HydrophobicContact CD1-CB 4.3Å
70L90.3Very high80.3Confident4 Ų446 Ų462%0.02130%0.304CS..Hα-helixtrans-61.4-44.2177.3-71.3-172.1000112.5V58 K66 S67 G72 L73 T74 M93 F104 E106V58-L70 HydrophobicContact CG2-CD2 4.14Å; K66-L70 PolarHBondContact O-N 2.91Å; S67-L70 PolarHBondContact O-N 2.95Å; L70-G72 VanDerWaalsContact C-N 3.26Å; L70-G72 PolarHBondContact O-N 2.95Å; L70-L73 HydrophobicContact CD2-CD1 4Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.09Å; L70-T74 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-OG1 3.05Å; L70-M93 HydrophobicContact CB-CE 3.99Å; L70-M93 HydrophobicContact CD2-CE 3.74Å; L70-M93 HydrophobicContact CG-CE 4.43Å; L70-M93 WeakPolarHBondContact O-CE 3.43Å; L70-F104 HydrophobicContact CD2-CB 3.9Å; L70-F104 HydrophobicContact CD2-CD1 3.72Å; L70-F104 HydrophobicContact CD2-CG 3.93Å; L70-E106 HydrophobicContact CD1-CB 3.53Å; L70-E106 HydrophobicContact CD1-CG 4.41Å
71Q87.6Confident78.8Confident78 Ų7850.4 Ų50.436%0.36432%0.32SS..Hα-helixtrans-61.2-37173.3-75.9178.66.400112S67 S68 I69 L73 T74 A75 C84S67-Q71 WeakPolarHBondContact O-CB 3.35Å; S67-Q71 VanDerWaalsContact O-CG 3.29Å; S67-Q71 WeakPolarHBondContact O-CG 3.37Å; S67-Q71 PolarHBondContact O-N 3.33Å; S68-Q71 PolarHBondContact O-N 3.39Å; I69-Q71 PolarHBondContact O-N 3.03Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 3.43Å; Q71-T74 PolarHBondContact O-N 3.05Å; Q71-A75 WeakPolarHBondContact O-CB 3.33Å; Q71-A75 PolarHBondContact O-N 3.22Å; Q71-C84 PolarHBondContact NE2-SG 3.01Å; Q71-C84 VanDerWaalsContact NE2-SG 3.39Å; Q71-C84 PolarHBondContact OE1-SG 3.03Å
72G84.1Confident77.3Confident3 Ų352.1 Ų52.13%0.03134%0.34CS..Hα-helixtrans-57.6-44.5173.700000112.4S68 I69 L70 T74 A75 L209S68-G72 PolarHBondContact O-N 2.91Å; I69-G72 WeakPolarHBondContact O-CA 3.47Å; I69-G72 PolarHBondContact O-N 3.21Å; I69-G72 VanDerWaalsContact O-N 3.09Å; L70-G72 VanDerWaalsContact C-N 3.26Å; L70-G72 PolarHBondContact O-N 2.95Å; G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 2.81Å; G72-A75 PolarHBondContact O-N 2.99Å; G72-L209 WeakPolarHBondContact O-CD1 3.25Å
73L82.3Confident76.3Confident14 Ų1457.6 Ų57.67%0.07336%0.363CS..Hα-helixtrans-62.8-32.1178-66.3166.9000113I69 L70 Q71 M93 L95 F104 L209 F212 Q213I69-L73 PolarHBondContact O-N 3.21Å; L70-L73 HydrophobicContact CD2-CD1 4Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.09Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 3.43Å; L73-M93 HydrophobicContact CB-CE 3.65Å; L73-M93 HydrophobicContact CD1-CE 3.98Å; L73-M93 HydrophobicContact CG-CE 4.44Å; L73-L95 HydrophobicContact CB-CD1 4.05Å; L73-F104 HydrophobicContact CD1-CE1 4.17Å; L73-F104 HydrophobicContact CD1-CZ 4.23Å; L73-L209 HydrophobicContact CD2-CB 3.89Å; L73-L209 HydrophobicContact CD2-CD2 3.56Å; L73-L209 HydrophobicContact CD2-CG 4.2Å; L73-L209 HydrophobicContact CG-CD2 3.88Å; L73-F212 HydrophobicContact CD1-CD1 4.23Å; L73-F212 HydrophobicContact CD1-CE1 3.84Å; L73-F212 HydrophobicContact CD2-CD1 3.87Å; L73-F212 HydrophobicContact CD2-CE1 4.32Å; L73-Q213 HydrophobicContact CD2-CG 3.93Å
74T76.9Confident75.8Confident77 Ų7756.5 Ų56.547%0.47235%0.348SS..Hα-helixtrans-84.9-30.6177-470000112.6L70 Q71 G72 G76 D77L70-T74 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-OG1 3.05Å; Q71-T74 PolarHBondContact O-N 3.05Å; G72-T74 VanDerWaalsContact C-N 3.27Å; G72-T74 PolarHBondContact O-N 2.81Å; T74-G76 PolarHBondContact O-N 3.29Å; T74-D77 PolarHBondContact O-N 2.9Å
75A62.6Low75.4Confident23 Ų2366.7 Ų66.719%0.1939%0.386CS..G310 helixtrans-75.6-2.3-173.100000114.9Q71 G72 D77 G78 R81Q71-A75 WeakPolarHBondContact O-CB 3.33Å; Q71-A75 PolarHBondContact O-N 3.22Å; G72-A75 PolarHBondContact O-N 2.99Å; A75-D77 PolarHBondContact O-N 3.45Å; A75-G78 PolarHBondContact O-N 2.94Å; A75-R81 HydrophobicContact CB-CG 4.5Å
76G55.8Low75.2Confident68 Ų6871.7 Ų71.770%0.70142%0.415SS*.G310 helixtrans-55.5-12.8166.500000113.8T74T74-G76 PolarHBondContact O-N 3.29Å
77D48.9Very low75Confident155 Ų15572.8 Ų72.883%0.82942%0.423SS*.G310 helixtrans-102.323.8179.7-145.818.5000114T74 A75T74-D77 PolarHBondContact O-N 2.9Å; A75-D77 PolarHBondContact O-N 3.45Å
78G45.7Very low74.8Confident74 Ų7483.5 Ų83.576%0.76346%0.461SS*.SBendtrans8615.2173.600000116A75A75-G78 PolarHBondContact O-N 2.94Å
79G51.4Low74.9Confident46 Ų4682.9 Ų82.947%0.47446%0.461SS..  trans-75.2132.5176.500000113.3R81G79-R81 PolarHBondContact O-N 3.33Å
80K52.3Low75Confident212 Ų21288.6 Ų88.692%0.92249%0.486SS*.  trans-63.4124172.3-70.9-174.8179.3179.60110.3G82K80-G82 PolarHBondContact O-N 3.28Å
81R66.4Low75.1Confident92 Ų9291.5 Ų91.535%0.34750%0.501SS..  trans-66.7112.5173.6-62.5-176.2-171.7157.513.5109.5A75 G79 G199 D202A75-R81 HydrophobicContact CB-CG 4.5Å; G79-R81 PolarHBondContact O-N 3.33Å; R81-G199 PolarHBondContact NH1-O 3.34Å; R81-D202 IonicContact CZ-OD1 3.39Å; R81-D202 IonicContact NH1-OD1 2.9Å; R81-D202 IonicContact NH2-OD1 2.88Å; R81-D202 PolarHBondContact NH2-OD1 3.17Å
82G66.4Low75.3Confident45 Ų4592.8 Ų92.846%0.46451%0.506SS..PPolyproline II helixtrans-96.3162.5-177.500000112.9K80 C84K80-G82 PolarHBondContact O-N 3.28Å; G82-C84 PolarHBondContact O-N 2.93Å
83H76.8Confident75.6Confident177 Ų17793.6 Ų93.682%0.81951%0.509SS*.PPolyproline II helixtrans-66.6120.1168.7-174.2-63.4000109.9
84C84.1Confident76Confident28 Ų2895.5 Ų95.519%0.18952%0.523CS..PPolyproline II helixtrans-78132.4176-64.30000111S68 Q71 G82S68-C84 PolarHBondContact OG-SG 2.77Å; S68-C84 VanDerWaalsContact OG-SG 3.38Å; Q71-C84 PolarHBondContact NE2-SG 3.01Å; Q71-C84 VanDerWaalsContact NE2-SG 3.39Å; Q71-C84 PolarHBondContact OE1-SG 3.03Å; G82-C84 PolarHBondContact O-N 2.93Å
85R88.3Confident76.5Confident216 Ų21693.3 Ų93.382%0.81551%0.508SS*.PPolyproline II helixtrans-88156.2169.2-68.4-177.1178.6170.50110.1T87R85-T87 PolarHBondContact O-N 3.43Å
86P91.2Very high77.5Confident117 Ų11796.7 Ų96.776%0.7653%0.53SS*.PPolyproline II helixtrans-56.1126.9173.7-25.334.6000112.1R88P86-R88 PolarHBondContact O-N 3.38Å
87T90.8Very high78.8Confident34 Ų3494 Ų9421%0.20950%0.501CS..PPolyproline II helixtrans-70.1116.9177.9-48.20000110.3S67 R85 G89 L113S67-T87 PolarHBondContact OG-OG1 3.42Å; R85-T87 PolarHBondContact O-N 3.43Å; T87-G89 VanDerWaalsContact C-N 3.35Å; T87-L113 WeakPolarHBondContact O-CD1 3.47Å
88R88.8Confident80.2Confident241 Ų24192.4 Ų92.491%0.90950%0.5SS*.SBendtrans-92.816.1-179.7-68.9-174.3172.1179.6-3.5114.2P86P86-R88 PolarHBondContact O-N 3.38Å
89G91.8Very high81.7Confident26 Ų2692.9 Ų92.927%0.26850%0.497SS..SBendtrans-172.3-114.8-17600000109.4T87 G108T87-G89 VanDerWaalsContact C-N 3.35Å; G89-G108 PolarHBondContact O-N 3.36Å
90F93.1Very high83.4Confident131 Ų13191.1 Ų91.158%0.57548%0.477SS*.EExtended strand (participates in β ladder)trans-130.8164.117564.4-88.8000111.7L105 E106 I107F90-L105 HydrophobicContact CB-CD1 4.15Å; F90-L105 HydrophobicContact CD2-CD1 4.06Å; F90-L105 HydrophobicContact CG-CD1 4.4Å; F90-E106 CarbonylContact C-O 3.58Å; F90-E106 WeakPolarHBondContact CA-O 3.31Å; F90-E106 WeakPolarHBondContact CB-O 3.09Å; F90-I107 HydrophobicContact CB-CD1 3.59Å
91N91.5Very high85.2Confident64 Ų6482.6 Ų82.634%0.34244%0.44SS..EExtended strand (participates in β ladder)trans-132.9143.2172.4177.628.7000108.2E106N91-E106 HydrophobicContact CB-CB 4.14Å; N91-E106 HydrophobicContact CB-CG 4.38Å; N91-E106 WeakPolarHBondContact CB-OE2 3.11Å; N91-E106 PolarHBondContact N-O 2.91Å; N91-E106 PolarHBondContact ND2-OE2 2.87Å; N91-E106 VanDerWaalsContact ND2-OE2 3.07Å; N91-E106 PolarHBondContact O-N 3.29Å
92F91.9Very high86.4Confident106 Ų10678.4 Ų78.447%0.46543%0.425SS..EExtended strand (participates in β ladder)trans-128.1131.1-176.8-179.4-94.4000109.8D103 F104F92-D103 HydrophobicContact CE2-CB 3.78Å; F92-D103 HydrophobicContact CZ-CB 3.87Å; F92-F104 WeakPolarHBondContact CA-O 3.31Å
93M90.3Very high87.7Confident20 Ų2077.3 Ų77.310%0.09941%0.408CS..EExtended strand (participates in β ladder)trans-140.8134.4178172.1-98.9-95.700109.3L70 L73 L95 F104L70-M93 HydrophobicContact CB-CE 3.99Å; L70-M93 HydrophobicContact CD2-CE 3.74Å; L70-M93 HydrophobicContact CG-CE 4.43Å; L70-M93 WeakPolarHBondContact O-CE 3.43Å; L73-M93 HydrophobicContact CB-CE 3.65Å; L73-M93 HydrophobicContact CD1-CE 3.98Å; L73-M93 HydrophobicContact CG-CE 4.44Å; M93-L95 HydrophobicContact CE-CD1 4.16Å; M93-L95 HydrophobicContact CE-CG 4.41Å; M93-L95 HydrophobicContact SD-CD1 3.8Å; M93-L95 HydrophobicContact SD-CD2 3.83Å; M93-L95 HydrophobicContact SD-CG 3.48Å; M93-L95 WeakPolarHBondContact SD-CG 3.26Å; M93-F104 HydrophobicContact CB-CB 4.47Å; M93-F104 HydrophobicContact CE-CD2 4.39Å; M93-F104 PolarHBondContact N-O 2.81Å; M93-F104 WeakPolarHBondContact O-CA 3.44Å; M93-F104 WeakPolarHBondContact O-CB 3.24Å; M93-F104 PolarHBondContact O-N 2.97Å; M93-F104 HydrophobicContact SD-CB 4.21Å; M93-F104 HydrophobicContact SD-CD2 3.63Å; M93-F104 HydrophobicContact SD-CE2 4.35Å; M93-F104 HydrophobicContact SD-CG 4.13Å
94S90.1Very high88.6Confident53 Ų5368.9 Ų68.937%0.37137%0.369SS..EExtended strand (participates in β ladder)trans-115.7133.5179.8169.60000109.9Q101 L102 D103S94-Q101 WeakPolarHBondContact OG-CG 3.37Å; S94-Q101 PolarHBondContact OG-NE2 2.8Å; S94-L102 CarbonylContact C-O 3.6Å; S94-L102 WeakPolarHBondContact CA-O 3.4Å; S94-D103 WeakPolarHBondContact CB-OD1 3.45Å; S94-D103 PolarHBondContact OG-OD1 3.07Å
95L87.6Confident89.2Confident32 Ų3268.2 Ų68.217%0.16836%0.363CS..EExtended strand (participates in β ladder)trans-119.7128173.1-61.1175.6000109.7L73 M93 A97 L102 F104L73-L95 HydrophobicContact CB-CD1 4.05Å; M93-L95 HydrophobicContact CE-CD1 4.16Å; M93-L95 HydrophobicContact CE-CG 4.41Å; M93-L95 HydrophobicContact SD-CD1 3.8Å; M93-L95 HydrophobicContact SD-CD2 3.83Å; M93-L95 HydrophobicContact SD-CG 3.48Å; M93-L95 WeakPolarHBondContact SD-CG 3.26Å; L95-A97 PolarHBondContact O-N 2.99Å; L95-L102 PolarHBondContact N-O 3.17Å; L95-L102 PolarHBondContact O-N 2.81Å; L95-F104 HydrophobicContact CB-CE2 4.48Å; L95-F104 HydrophobicContact CD1-CD2 4.31Å; L95-F104 HydrophobicContact CD1-CE2 3.72Å; L95-F104 HydrophobicContact CD1-CZ 4.43Å; L95-F104 HydrophobicContact CG-CD2 4.46Å; L95-F104 HydrophobicContact CG-CE2 4.19Å
96S85.4Confident89.6Confident93 Ų9358 Ų5865%0.6533%0.325SS*.EExtended strand (participates in β ladder)trans-82.5114.1173.3-169.40000108.9R51R51-S96 PolarHBondContact NH1-OG 3.07Å
97A81.4Confident89.9Confident11 Ų1152.6 Ų52.69%0.09129%0.29CS..  trans-100.6161.9169.700000110R51 L95 A99 C100 L217R51-A97 PolarHBondContact NH1-O 3.42Å; L95-A97 PolarHBondContact O-N 2.99Å; A97-A99 PolarHBondContact O-N 3.16Å; A97-C100 CarbonylContact C-O 3.6Å; A97-C100 WeakPolarHBondContact CA-O 3.35Å; A97-C100 WeakPolarHBondContact CB-O 3.33Å; A97-C100 PolarHBondContact N-O 3.36Å; A97-C100 VanDerWaalsContact O-O 3.1Å; A97-L217 HydrophobicContact CB-CD1 3.94Å; A97-L217 HydrophobicContact CB-CD2 3.73Å; A97-L217 HydrophobicContact CB-CG 4.43Å
98P78.8Confident90.1Very high123 Ų12351 Ų5180%0.79928%0.28SS*.SBendtrans-56.9-35.2180-27.435.7000113.9
99A78.1Confident90.5Very high84 Ų8439.6 Ų39.669%0.69424%0.238SC*.SBendtrans-94.3-30.1-175.500000114.3A97A97-A99 PolarHBondContact O-N 3.16Å
100C86.4Confident90.7Very high8 Ų839.6 Ų39.65%0.05424%0.238CC..  trans-159.3169.2-174.664.60000112.1G52 R54 A97 L217G52-C100 VanDerWaalsContact O-CB 3.25Å; G52-C100 WeakPolarHBondContact O-CB 3.38Å; R54-C100 HydrophobicContact CG-CB 4.24Å; A97-C100 CarbonylContact C-O 3.6Å; A97-C100 WeakPolarHBondContact CA-O 3.35Å; A97-C100 WeakPolarHBondContact CB-O 3.33Å; A97-C100 PolarHBondContact N-O 3.36Å; A97-C100 VanDerWaalsContact O-O 3.1Å; C100-L217 WeakPolarHBondContact SG-CD2 3.41Å
101Q89.8Confident90.7Very high34 Ų3440.3 Ų40.316%0.15924%0.243CC..EExtended strand (participates in β ladder)trans-93.1124.3167.6-177.2179.7-28.700109.7K53 R54 S94 D103K53-Q101 HydrophobicContact CG-CB 4.26Å; R54-Q101 PolarHBondContact N-O 2.77Å; S94-Q101 WeakPolarHBondContact OG-CG 3.37Å; S94-Q101 PolarHBondContact OG-NE2 2.8Å; Q101-D103 PolarHBondContact NE2-OD1 2.83Å
102L92.4Very high90.8Very high3 Ų343.9 Ų43.92%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-95.8115.3175.6-65.7179.6000110.1R54 V56 S94 L95 F104 I216 L217 V220R54-L102 HydrophobicContact CB-CD2 3.99Å; R54-L102 WeakPolarHBondContact O-CA 3.35Å; V56-L102 HydrophobicContact CG2-CD2 4.34Å; S94-L102 CarbonylContact C-O 3.6Å; S94-L102 WeakPolarHBondContact CA-O 3.4Å; L95-L102 PolarHBondContact N-O 3.17Å; L95-L102 PolarHBondContact O-N 2.81Å; L102-F104 HydrophobicContact CB-CD2 4.36Å; L102-F104 HydrophobicContact CB-CE2 3.73Å; L102-F104 HydrophobicContact CB-CZ 4.45Å; L102-F104 HydrophobicContact CD1-CE2 4.26Å; L102-F104 HydrophobicContact CD1-CZ 4.33Å; L102-I216 HydrophobicContact CD1-CG2 4.04Å; L102-I216 HydrophobicContact CD2-CG2 3.94Å; L102-L217 HydrophobicContact CD1-CD2 3.97Å; L102-L217 HydrophobicContact CD1-CG 4.22Å; L102-L217 HydrophobicContact CD2-CD2 4.08Å; L102-L217 HydrophobicContact CG-CD2 4.12Å; L102-V220 HydrophobicContact CD2-CG2 4.4Å
103D94.3Very high91Very high22 Ų2240.6 Ų40.612%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-103.2100.3179.8-76.2-14000109.8R54 Q55 V56 F92 S94 Q101R54-D103 PolarHBondContact O-N 2.93Å; Q55-D103 CarbonylContact C-O 3.57Å; Q55-D103 WeakPolarHBondContact CA-O 3.43Å; V56-D103 PolarHBondContact N-O 3.07Å; F92-D103 HydrophobicContact CE2-CB 3.78Å; F92-D103 HydrophobicContact CZ-CB 3.87Å; S94-D103 WeakPolarHBondContact CB-OD1 3.45Å; S94-D103 PolarHBondContact OG-OD1 3.07Å; Q101-D103 PolarHBondContact NE2-OD1 2.83Å
104F95.4Very high91.2Very high0 Ų040.2 Ų40.20%025%0.246CC..EExtended strand (participates in β ladder)trans-81.5117.5176.2-66.4-96.4000110.8V56 V58 L70 L73 F92 M93 L95 L102 F212V56-F104 HydrophobicContact CB-CD1 3.78Å; V56-F104 HydrophobicContact CB-CE1 3.95Å; V56-F104 HydrophobicContact CB-CG 4.27Å; V56-F104 HydrophobicContact CG1-CD1 3.72Å; V56-F104 HydrophobicContact CG1-CE1 3.69Å; V56-F104 HydrophobicContact CG2-CD1 4.43Å; V56-F104 HydrophobicContact CG2-CE1 4.18Å; V56-F104 HydrophobicContact CG2-CZ 4.33Å; V56-F104 CarbonylContact O-C 3.55Å; V56-F104 WeakPolarHBondContact O-CA 3.26Å; V58-F104 HydrophobicContact CG2-CD1 3.95Å; L70-F104 HydrophobicContact CD2-CB 3.9Å; L70-F104 HydrophobicContact CD2-CD1 3.72Å; L70-F104 HydrophobicContact CD2-CG 3.93Å; L73-F104 HydrophobicContact CD1-CE1 4.17Å; L73-F104 HydrophobicContact CD1-CZ 4.23Å; F92-F104 WeakPolarHBondContact CA-O 3.31Å; M93-F104 HydrophobicContact CB-CB 4.47Å; M93-F104 HydrophobicContact CE-CD2 4.39Å; M93-F104 PolarHBondContact N-O 2.81Å; M93-F104 WeakPolarHBondContact O-CA 3.44Å; M93-F104 WeakPolarHBondContact O-CB 3.24Å; M93-F104 PolarHBondContact O-N 2.97Å; M93-F104 HydrophobicContact SD-CB 4.21Å; M93-F104 HydrophobicContact SD-CD2 3.63Å; M93-F104 HydrophobicContact SD-CE2 4.35Å; M93-F104 HydrophobicContact SD-CG 4.13Å; L95-F104 HydrophobicContact CB-CE2 4.48Å; L95-F104 HydrophobicContact CD1-CD2 4.31Å; L95-F104 HydrophobicContact CD1-CE2 3.72Å; L95-F104 HydrophobicContact CD1-CZ 4.43Å; L95-F104 HydrophobicContact CG-CD2 4.46Å; L95-F104 HydrophobicContact CG-CE2 4.19Å; L102-F104 HydrophobicContact CB-CD2 4.36Å; L102-F104 HydrophobicContact CB-CE2 3.73Å; L102-F104 HydrophobicContact CB-CZ 4.45Å; L102-F104 HydrophobicContact CD1-CE2 4.26Å; L102-F104 HydrophobicContact CD1-CZ 4.33Å; F104-F212 AromaticContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CZ 4.35Å; F104-F212 HydrophobicContact CZ-CE1 4.37Å
105L96.6Very high91.4Very high14 Ų1441.9 Ų41.97%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-108.5105.5172.5-179.862.2000109.3V56 L57 V58 F90 I107 Y120V56-L105 PolarHBondContact O-N 3.45Å; L57-L105 HydrophobicContact CD1-CB 4.19Å; L57-L105 HydrophobicContact CD1-CD2 3.96Å; L57-L105 HydrophobicContact CD1-CG 4.04Å; V58-L105 PolarHBondContact N-O 2.85Å; F90-L105 HydrophobicContact CB-CD1 4.15Å; F90-L105 HydrophobicContact CD2-CD1 4.06Å; F90-L105 HydrophobicContact CG-CD1 4.4Å; L105-I107 HydrophobicContact CD1-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 4.23Å; L105-I107 HydrophobicContact CG-CD1 3.9Å; L105-Y120 HydrophobicContact CD2-CD1 3.54Å; L105-Y120 HydrophobicContact CD2-CE1 4.13Å; L105-Y120 HydrophobicContact CD2-CG 4.19Å
106E96.6Very high91.6Very high1 Ų145.8 Ų45.81%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-90.4131.5171.6162.6-176.1-152.100110.1V58 K66 S67 L70 F90 N91V58-E106 HydrophobicContact CB-CB 4.22Å; V58-E106 WeakPolarHBondContact O-CA 3.42Å; K66-E106 HydrophobicContact CB-CG 4.27Å; K66-E106 WeakPolarHBondContact CB-OE1 3.42Å; S67-E106 WeakPolarHBondContact CA-OE1 3.31Å; S67-E106 WeakPolarHBondContact CA-OE2 3.39Å; S67-E106 WeakPolarHBondContact CB-OE1 3.42Å; S67-E106 WeakPolarHBondContact CB-OE2 3.47Å; S67-E106 PolarHBondContact N-OE1 2.77Å; S67-E106 VanDerWaalsContact OG-CD 3.32Å; S67-E106 PolarHBondContact OG-OE1 2.9Å; S67-E106 PolarHBondContact OG-OE2 2.86Å; L70-E106 HydrophobicContact CD1-CB 3.53Å; L70-E106 HydrophobicContact CD1-CG 4.41Å; F90-E106 CarbonylContact C-O 3.58Å; F90-E106 WeakPolarHBondContact CA-O 3.31Å; F90-E106 WeakPolarHBondContact CB-O 3.09Å; N91-E106 HydrophobicContact CB-CB 4.14Å; N91-E106 HydrophobicContact CB-CG 4.38Å; N91-E106 WeakPolarHBondContact CB-OE2 3.11Å; N91-E106 PolarHBondContact N-O 2.91Å; N91-E106 PolarHBondContact ND2-OE2 2.87Å; N91-E106 VanDerWaalsContact ND2-OE2 3.07Å; N91-E106 PolarHBondContact O-N 3.29Å
107I96.9Very high92.1Very high4 Ų441.4 Ų41.42%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-108.5142.9170-48.5-60000109.5L57 V58 L59 K66 F90 L105 Y120L57-I107 HydrophobicContact CD1-CG1 4.08Å; V58-I107 PolarHBondContact O-N 2.92Å; L59-I107 HydrophobicContact CD2-CB 3.74Å; L59-I107 HydrophobicContact CD2-CG1 3.86Å; K66-I107 WeakPolarHBondContact CE-O 3.07Å; F90-I107 HydrophobicContact CB-CD1 3.59Å; L105-I107 HydrophobicContact CD1-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 4.23Å; L105-I107 HydrophobicContact CG-CD1 3.9Å; I107-Y120 HydrophobicContact CD1-CD1 4.19Å; I107-Y120 HydrophobicContact CD1-CD2 3.77Å; I107-Y120 HydrophobicContact CD1-CE1 4.08Å; I107-Y120 HydrophobicContact CD1-CE2 3.65Å; I107-Y120 HydrophobicContact CD1-CG 4.04Å; I107-Y120 HydrophobicContact CG1-CD2 3.83Å; I107-Y120 HydrophobicContact CG1-CE2 4.08Å; I107-Y120 HydrophobicContact CG1-CG 4.25Å; I107-Y120 HydrophobicContact CG2-CE2 4.48Å
108G95.7Very high92.7Very high0 Ų042.9 Ų42.90%025%0.245CC..  trans-56.6145.8174.400000112.2G89 L113 W117G89-G108 PolarHBondContact O-N 3.36Å; G108-L113 WeakPolarHBondContact O-CB 3.46Å; G108-W117 PolarHBondContact O-NE1 3.25Å
109G96.6Very high93.3Very high3 Ų343 Ų433%0.03124%0.235CC..  trans-105.88.4-174.100000115.4G60 D62 R114G60-G109 WeakPolarHBondContact O-CA 3.47Å; D62-G109 PolarHBondContact N-O 3.01Å; D62-G109 VanDerWaalsContact OD1-O 3.09Å; G109-R114 PolarHBondContact O-NE 2.9Å; G109-R114 PolarHBondContact O-NH2 3.47Å; G109-R114 VanDerWaalsContact O-NH2 3.1Å
110G95.7Very high94.1Very high26 Ų2642.5 Ų42.527%0.26822%0.216SC..SBendtrans-67.3153.1172.300000110.5D112 L113 R114G110-D112 VanDerWaalsContact C-N 3.3Å; G110-D112 PolarHBondContact O-N 3.32Å; G110-L113 PolarHBondContact O-N 3.02Å; G110-R114 WeakPolarHBondContact O-CG 3.32Å; G110-R114 PolarHBondContact O-N 3.49Å
111E94.3Very high94.3Very high145 Ų14542.5 Ų42.568%0.67822%0.215SC*.Hα-helixtrans-50.1-47.5-174-170.6167.6-175.200113L113 R114E111-L113 PolarHBondContact O-N 3.41Å; E111-L113 VanDerWaalsContact O-N 3.11Å; E111-R114 PolarHBondContact O-N 3.16Å
112D93.5Very high94.2Very high140 Ų14052 Ų5275%0.74925%0.25SC*.Hα-helixtrans-59.4-24.7178.8-56.7-26.2000114.2G110 T115 Y116G110-D112 VanDerWaalsContact C-N 3.3Å; G110-D112 PolarHBondContact O-N 3.32Å; D112-T115 PolarHBondContact O-OG1 2.84Å; D112-T115 VanDerWaalsContact O-OG1 3.09Å; D112-Y116 WeakPolarHBondContact O-CE2 3.35Å
113L94.6Very high93.8Very high36 Ų3659.8 Ų59.819%0.18828%0.283CS..Hα-helixtrans-94.8-18.1-176.8-64.3176.3000113.2T87 G108 G110 E111 T115 Y116T87-L113 WeakPolarHBondContact O-CD1 3.47Å; G108-L113 WeakPolarHBondContact O-CB 3.46Å; G110-L113 PolarHBondContact O-N 3.02Å; E111-L113 PolarHBondContact O-N 3.41Å; E111-L113 VanDerWaalsContact O-N 3.11Å; L113-T115 PolarHBondContact O-N 2.86Å; L113-Y116 HydrophobicContact CD2-CD2 4.48Å; L113-Y116 PolarHBondContact O-N 3.26Å
114R95.6Very high93.9Very high12 Ų1259.4 Ų59.45%0.04528%0.282CS..Hα-helixtrans-69.2-23.7-176.8-65.4173.8-160.3162.24.1113.1D62 G109 G110 E111 Y116 W117 Q141 R148D62-R114 IonicContact OD1-NH2 2.84Å; D62-R114 PolarHBondContact OD1-NH2 3.05Å; G109-R114 PolarHBondContact O-NE 2.9Å; G109-R114 PolarHBondContact O-NH2 3.47Å; G109-R114 VanDerWaalsContact O-NH2 3.1Å; G110-R114 WeakPolarHBondContact O-CG 3.32Å; G110-R114 PolarHBondContact O-N 3.49Å; E111-R114 PolarHBondContact O-N 3.16Å; R114-Y116 PolarHBondContact O-N 2.84Å; R114-W117 HydrophobicContact CB-CD2 4.2Å; R114-W117 HydrophobicContact CB-CE3 4.43Å; R114-W117 HydrophobicContact CG-CD2 4.23Å; R114-W117 HydrophobicContact CG-CE3 4.43Å; R114-W117 HydrophobicContact CG-CH2 3.96Å; R114-W117 HydrophobicContact CG-CZ2 3.71Å; R114-W117 HydrophobicContact CG-CZ3 4.32Å; R114-W117 WeakPolarHBondContact O-CB 3.4Å; R114-W117 PolarHBondContact O-N 2.96Å; R114-Q141 VanDerWaalsContact NH1-CD 3.3Å; R114-R148 PolarHBondContact O-NH2 2.8Å
115T93.3Very high93.9Very high89 Ų8963 Ų6355%0.54630%0.299SS..THydrogen-bonded Turntrans-59.7-35.3173.548.30000111.7D112 L113D112-T115 PolarHBondContact O-OG1 2.84Å; D112-T115 VanDerWaalsContact O-OG1 3.09Å; L113-T115 PolarHBondContact O-N 2.86Å
116Y92.4Very high93.9Very high114 Ų11462.4 Ų62.445%0.44730%0.295SS..THydrogen-bonded Turntrans-82.4-13.8-179.2-56.6-77.5000114.2D112 L113 R114 T118 E119 Y120D112-Y116 WeakPolarHBondContact O-CE2 3.35Å; L113-Y116 HydrophobicContact CD2-CD2 4.48Å; L113-Y116 PolarHBondContact O-N 3.26Å; R114-Y116 PolarHBondContact O-N 2.84Å; Y116-T118 PolarHBondContact O-N 3.21Å; Y116-E119 WeakPolarHBondContact O-CB 3.36Å; Y116-E119 PolarHBondContact O-N 3.24Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.34Å
117W95.9Very high94Very high0 Ų062.3 Ų62.30%030%0.295CS..Hα-helixtrans-53.6-35.6-175.1-73.31.5000113.5L59 G60 G108 R114 E119 Y120 Y129 E145 L149L59-W117 HydrophobicContact CB-CD2 4.42Å; L59-W117 HydrophobicContact CB-CE3 4.48Å; L59-W117 HydrophobicContact CB-CZ2 4.48Å; L59-W117 HydrophobicContact CD1-CB 3.91Å; L59-W117 HydrophobicContact CD1-CD2 4.04Å; L59-W117 HydrophobicContact CD1-CE3 4.19Å; L59-W117 HydrophobicContact CD1-CG 3.98Å; L59-W117 HydrophobicContact CD2-CB 4.41Å; L59-W117 HydrophobicContact CD2-CD2 4.07Å; L59-W117 HydrophobicContact CD2-CG 3.86Å; L59-W117 HydrophobicContact CG-CD2 4.42Å; L59-W117 HydrophobicContact CG-CG 4.48Å; G60-W117 VanDerWaalsContact O-CZ2 3.29Å; G60-W117 WeakPolarHBondContact O-CZ2 3.43Å; G108-W117 PolarHBondContact O-NE1 3.25Å; R114-W117 HydrophobicContact CB-CD2 4.2Å; R114-W117 HydrophobicContact CB-CE3 4.43Å; R114-W117 HydrophobicContact CG-CD2 4.23Å; R114-W117 HydrophobicContact CG-CE3 4.43Å; R114-W117 HydrophobicContact CG-CH2 3.96Å; R114-W117 HydrophobicContact CG-CZ2 3.71Å; R114-W117 HydrophobicContact CG-CZ3 4.32Å; R114-W117 WeakPolarHBondContact O-CB 3.4Å; R114-W117 PolarHBondContact O-N 2.96Å; W117-E119 VanDerWaalsContact C-N 3.29Å; W117-E119 PolarHBondContact O-N 2.97Å; W117-Y120 PolarHBondContact O-N 2.87Å; W117-Y129 HydrophobicContact CH2-CE2 4.38Å; W117-Y129 HydrophobicContact CZ3-CE2 4.04Å; W117-E145 HydrophobicContact CZ3-CB 3.85Å; W117-E145 HydrophobicContact CZ3-CG 4.21Å; W117-L149 HydrophobicContact CB-CD2 3.92Å; W117-L149 HydrophobicContact CE3-CD1 3.84Å; W117-L149 HydrophobicContact CE3-CD2 4.37Å; W117-L149 HydrophobicContact CE3-CG 4.43Å; W117-L149 HydrophobicContact CZ3-CD1 4.23Å
118T94.1Very high94Very high43 Ų4362.2 Ų62.226%0.26430%0.295SS..Hα-helixtrans-70.7-25.6-177.751.90000113.2Y116 Y120 L121 L149 L152Y116-T118 PolarHBondContact O-N 3.21Å; T118-Y120 PolarHBondContact O-N 3.04Å; T118-L121 PolarHBondContact O-N 3.36Å; T118-L149 HydrophobicContact CG2-CD2 4.19Å; T118-L152 HydrophobicContact CG2-CD1 3.23Å
119E92.3Very high94.1Very high125 Ų12562.2 Ų62.258%0.58430%0.295SS*.Hα-helixtrans-68.3-28.8178.9-58.3-179.3178.200111.5Y116 W117Y116-E119 WeakPolarHBondContact O-CB 3.36Å; Y116-E119 PolarHBondContact O-N 3.24Å; W117-E119 VanDerWaalsContact C-N 3.29Å; W117-E119 PolarHBondContact O-N 2.97Å
120Y93.3Very high94.2Very high73 Ų7362.1 Ų62.129%0.28629%0.293SS..Hα-helixtrans-87.1-13.2-178.5-60.7-76.7000113.9L57 L105 I107 Y116 W117 T118 R122 T124L57-Y120 HydrophobicContact CD1-CG 4.4Å; L105-Y120 HydrophobicContact CD2-CD1 3.54Å; L105-Y120 HydrophobicContact CD2-CE1 4.13Å; L105-Y120 HydrophobicContact CD2-CG 4.19Å; I107-Y120 HydrophobicContact CD1-CD1 4.19Å; I107-Y120 HydrophobicContact CD1-CD2 3.77Å; I107-Y120 HydrophobicContact CD1-CE1 4.08Å; I107-Y120 HydrophobicContact CD1-CE2 3.65Å; I107-Y120 HydrophobicContact CD1-CG 4.04Å; I107-Y120 HydrophobicContact CG1-CD2 3.83Å; I107-Y120 HydrophobicContact CG1-CE2 4.08Å; I107-Y120 HydrophobicContact CG1-CG 4.25Å; I107-Y120 HydrophobicContact CG2-CE2 4.48Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.34Å; W117-Y120 PolarHBondContact O-N 2.87Å; T118-Y120 PolarHBondContact O-N 3.04Å; Y120-R122 PolarHBondContact O-N 3.47Å; Y120-T124 PolarHBondContact O-OG1 3.37Å
121L91.9Very high94.3Very high8 Ų861 Ų614%0.04228%0.282CS..G310 helixtrans-63.6-36.4-178.3-74.5175.6000113.1L57 T118 K123 T124 L149 L152 L156L57-L121 HydrophobicContact CD2-CD2 3.92Å; L57-L121 HydrophobicContact CD2-CG 4.47Å; T118-L121 PolarHBondContact O-N 3.36Å; L121-K123 PolarHBondContact O-N 3.06Å; L121-T124 VanDerWaalsContact O-CB 3.25Å; L121-T124 WeakPolarHBondContact O-CB 3.41Å; L121-T124 PolarHBondContact O-N 3.22Å; L121-T124 PolarHBondContact O-OG1 2.97Å; L121-L149 HydrophobicContact CD1-CB 4.4Å; L121-L149 HydrophobicContact CD1-CD2 3.89Å; L121-L149 HydrophobicContact CG-CD2 4.41Å; L121-L152 HydrophobicContact CD1-CB 4.15Å; L121-L152 HydrophobicContact CD1-CD1 3.97Å; L121-L156 HydrophobicContact CD2-CD2 3.7Å
122R86.1Confident94.5Very high235 Ų23554.8 Ų54.889%0.88725%0.253SS*.G310 helixtrans-60.4-25.2-170.9-70-174.8177.8177.90.4115.4Y120Y120-R122 PolarHBondContact O-N 3.47Å
123K85.9Confident94.7Very high165 Ų16548.1 Ų48.172%0.71722%0.217SC*.G310 helixtrans-106.32.8-180-66.1-176.2179.4-178.10112.5Q55 L121 H125Q55-K123 WeakPolarHBondContact CB-O 3.35Å; Q55-K123 PolarHBondContact OE1-O 3.32Å; Q55-K123 VanDerWaalsContact OE1-O 3.1Å; L121-K123 PolarHBondContact O-N 3.06Å; K123-H125 PolarHBondContact O-ND1 2.77Å
124T94.7Very high94.8Very high14 Ų1446.8 Ų46.89%0.08621%0.211CC..  trans-82.6130.6-175.1-61.20000110.1L57 Y120 L121 V126 L156L57-T124 HydrophobicContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-CG2 3.43Å; L57-T124 VanDerWaalsContact CB-OG1 3.31Å; L57-T124 WeakPolarHBondContact CB-OG1 3.21Å; Y120-T124 PolarHBondContact O-OG1 3.37Å; L121-T124 VanDerWaalsContact O-CB 3.25Å; L121-T124 WeakPolarHBondContact O-CB 3.41Å; L121-T124 PolarHBondContact O-N 3.22Å; L121-T124 PolarHBondContact O-OG1 2.97Å; T124-V126 VanDerWaalsContact CG2-C 3.4Å; T124-V126 WeakPolarHBondContact CG2-O 3.43Å; T124-L156 HydrophobicContact CG2-CD1 4.01Å; T124-L156 HydrophobicContact CG2-CD2 4.44Å; T124-L156 WeakPolarHBondContact O-CD1 3.18Å
125H95.9Very high94.9Very high77 Ų7747.9 Ų47.936%0.35622%0.218SC..SBendtrans-92.2-34.2173.5-60.268.8000111.1R54 Q55 K123 P157 V220R54-H125 WeakPolarHBondContact CD-CD2 3.44Å; Q55-H125 PolarHBondContact N-ND1 2.87Å; Q55-H125 VanDerWaalsContact N-ND1 3.12Å; Q55-H125 WeakPolarHBondContact O-CB 3.43Å; Q55-H125 PolarHBondContact O-N 3.14Å; K123-H125 PolarHBondContact O-ND1 2.77Å; H125-P157 WeakPolarHBondContact O-CD 3.43Å; H125-V220 HydrophobicContact CB-CG1 3.95Å
126V96.9Very high95.1Very high0 Ų048.9 Ų48.90%021%0.211CC..EExtended strand (participates in β ladder)trans-139.9132.9175.3-177.30000110.2Q55 V56 L57 T124 P157 V159 I216 L219 V220Q55-V126 PolarHBondContact O-N 3.24Å; V56-V126 WeakPolarHBondContact CA-O 3.41Å; L57-V126 PolarHBondContact N-O 3.01Å; T124-V126 VanDerWaalsContact CG2-C 3.4Å; T124-V126 WeakPolarHBondContact CG2-O 3.43Å; V126-P157 HydrophobicContact CG2-CB 4.44Å; V126-V159 HydrophobicContact CG1-CG2 4.25Å; V126-I216 HydrophobicContact CB-CD1 4.43Å; V126-I216 HydrophobicContact CG1-CD1 3.68Å; V126-L219 HydrophobicContact CG1-CD1 3.95Å; V126-L219 HydrophobicContact CG2-CB 3.55Å; V126-L219 HydrophobicContact CG2-CD1 4.47Å; V126-V220 HydrophobicContact CG2-CG1 3.49Å; V126-V220 VanDerWaalsContact CG2-CG1 3.49Å
127L97.8Very high95.3Very high0 Ų052.7 Ų52.70%023%0.23CC..EExtended strand (participates in β ladder)trans-91.8122169.9173.961.4000110.1L57 L59 L149 L150 L156 P157 V158 V159L57-L127 HydrophobicContact CB-CD1 4.44Å; L57-L127 HydrophobicContact CD2-CD1 4.39Å; L59-L127 HydrophobicContact CB-CD1 4.1Å; L59-L127 HydrophobicContact CD1-CD1 3.82Å; L59-L127 HydrophobicContact CG-CD1 3.9Å; L127-L149 HydrophobicContact CD2-CD1 4.4Å; L127-L150 HydrophobicContact CD2-CD2 4.19Å; L127-L156 HydrophobicContact CB-CD2 3.8Å; L127-L156 HydrophobicContact CB-CG 4.21Å; L127-P157 PolarHBondContact N-O 3.42Å; L127-V158 HydrophobicContact CB-CG2 4.11Å; L127-V158 HydrophobicContact CD2-CG1 4.35Å; L127-V158 HydrophobicContact CD2-CG2 4.22Å; L127-V158 HydrophobicContact CG-CG1 4.38Å; L127-V158 CarbonylContact O-C 3.54Å; L127-V158 VanDerWaalsContact O-CA 3.31Å; L127-V158 WeakPolarHBondContact O-CA 3.33Å; L127-V159 PolarHBondContact O-N 2.84Å
128V98.1Very high95.4Very high2 Ų255.8 Ų55.81%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-101114167177.10000108.1V56 L57 V58 L59 V130 V159 L161 F212 I216V56-V128 HydrophobicContact CG1-CB 4.36Å; V56-V128 HydrophobicContact CG1-CG2 3.46Å; V56-V128 VanDerWaalsContact CG1-CG2 3.46Å; L57-V128 PolarHBondContact O-N 3.42Å; V58-V128 WeakPolarHBondContact CA-O 3.4Å; V58-V128 HydrophobicContact CG1-CG1 4.38Å; V58-V128 HydrophobicContact CG2-CB 4.26Å; L59-V128 PolarHBondContact N-O 2.9Å; V128-V130 HydrophobicContact CG1-CG2 4.25Å; V128-V159 CarbonylContact C-O 3.43Å; V128-V159 WeakPolarHBondContact CA-O 3.37Å; V128-V159 HydrophobicContact CG2-CB 4.45Å; V128-L161 HydrophobicContact CG1-CD1 3.7Å; V128-L161 HydrophobicContact CG1-CG 4.06Å; V128-F212 HydrophobicContact CG1-CE2 4.11Å; V128-F212 HydrophobicContact CG1-CZ 3.96Å; V128-F212 HydrophobicContact CG2-CE2 4.04Å; V128-F212 HydrophobicContact CG2-CZ 3.73Å; V128-I216 HydrophobicContact CG2-CD1 3.69Å
129Y98.4Very high95.5Very high0 Ų054 Ų540%023%0.23CC..EExtended strand (participates in β ladder)trans-108.5109.2-179.4-165.6-101000111L59 W117 V131 A142 L146 L149 V159 V160 L161L59-Y129 HydrophobicContact CB-CD2 4.06Å; L59-Y129 HydrophobicContact CB-CE2 4.38Å; W117-Y129 HydrophobicContact CH2-CE2 4.38Å; W117-Y129 HydrophobicContact CZ3-CE2 4.04Å; Y129-V131 HydrophobicContact CD1-CG2 3.58Å; Y129-V131 HydrophobicContact CE1-CG2 3.63Å; Y129-A142 HydrophobicContact CE1-CB 4.49Å; Y129-A142 PolarHBondContact OH-O 3.21Å; Y129-L146 HydrophobicContact CD1-CB 4.13Å; Y129-L146 HydrophobicContact CD1-CD1 3.96Å; Y129-L146 HydrophobicContact CD1-CD2 4.08Å; Y129-L146 HydrophobicContact CD1-CG 4.28Å; Y129-L146 HydrophobicContact CD2-CD1 4.09Å; Y129-L146 HydrophobicContact CE1-CB 3.74Å; Y129-L146 HydrophobicContact CE1-CD1 4.43Å; Y129-L146 HydrophobicContact CE1-CD2 4.34Å; Y129-L146 HydrophobicContact CE1-CG 4.39Å; Y129-L146 HydrophobicContact CE2-CB 4.33Å; Y129-L146 HydrophobicContact CG-CD1 3.77Å; Y129-L149 HydrophobicContact CD2-CD1 4.3Å; Y129-L149 HydrophobicContact CE2-CD1 4.14Å; Y129-V159 PolarHBondContact N-O 3.32Å; Y129-V160 CarbonylContact O-C 3.56Å; Y129-V160 WeakPolarHBondContact O-CA 3.48Å; Y129-L161 PolarHBondContact O-N 3.09Å
130V98.3Very high95.8Very high0 Ų052.2 Ų52.20%023%0.23CC..EExtended strand (participates in β ladder)trans-92.2127.6-175.9-171.30000110.6V58 L59 G60 A64 K66 I69 V128 L161 N163V58-V130 HydrophobicContact CG1-CG2 4.03Å; L59-V130 PolarHBondContact O-N 2.92Å; G60-V130 WeakPolarHBondContact CA-O 3.34Å; A64-V130 HydrophobicContact CB-CB 4.36Å; A64-V130 HydrophobicContact CB-CG1 4.1Å; A64-V130 WeakPolarHBondContact CB-O 3.32Å; K66-V130 HydrophobicContact CG-CB 3.82Å; K66-V130 HydrophobicContact CG-CG1 4.48Å; K66-V130 HydrophobicContact CG-CG2 3.84Å; I69-V130 HydrophobicContact CD1-CG1 3.65Å; I69-V130 HydrophobicContact CD1-CG2 4.05Å; V128-V130 HydrophobicContact CG1-CG2 4.25Å; V130-L161 HydrophobicContact CG2-CB 4.48Å; V130-L161 HydrophobicContact CG2-CD1 4.38Å; V130-N163 HydrophobicContact CG1-CB 3.92Å
131V98.2Very high96Very high4 Ų452.1 Ų52.12%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-122.1131.1-178.7-177.90000109.3Y129 S133 L139 V160 L161 N163 L176 L180Y129-V131 HydrophobicContact CD1-CG2 3.58Å; Y129-V131 HydrophobicContact CE1-CG2 3.63Å; V131-S133 PolarHBondContact O-N 2.86Å; V131-L139 HydrophobicContact CG1-CD2 3.43Å; V131-L139 VanDerWaalsContact CG1-CD2 3.43Å; V131-V160 HydrophobicContact CG2-CG1 4.06Å; V131-L161 PolarHBondContact N-O 3.43Å; V131-N163 WeakPolarHBondContact O-CB 3.28Å; V131-N163 PolarHBondContact O-N 3.27Å; V131-L176 HydrophobicContact CG1-CD2 4.31Å; V131-L180 HydrophobicContact CG2-CD1 4.07Å
132D97.6Very high96.3Very high13 Ų1352 Ų527%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-73.7104.3168.3-173.5-18.9000109S134 D135 K164 K167D132-S134 PolarHBondContact O-N 2.83Å; D132-S134 WeakPolarHBondContact OD1-CA 3.43Å; D132-S134 WeakPolarHBondContact OD1-CB 3.34Å; D132-S134 PolarHBondContact OD1-N 2.84Å; D132-S134 PolarHBondContact OD1-OG 2.9Å; D132-D135 HydrophobicContact CB-CB 3.86Å; D132-D135 PolarHBondContact O-N 2.73Å; D132-D135 VanDerWaalsContact O-N 3.13Å; D132-D135 PolarHBondContact OD1-N 3.05Å; D132-K164 WeakPolarHBondContact OD1-CD 3.38Å; D132-K164 WeakPolarHBondContact OD2-CD 3.33Å; D132-K164 WeakPolarHBondContact OD2-CE 3.34Å; D132-K164 IonicContact OD2-NZ 2.67Å; D132-K164 PolarHBondContact OD2-NZ 2.79Å; D132-K167 IonicContact OD2-NZ 3.87Å
133S97.6Very high96.9Very high0 Ų044 Ų440%020%0.204CC..THydrogen-bonded Turntrans-65.5-17.7-178.866.90000113.8V131 N163 Q165 A170 M171V131-S133 PolarHBondContact O-N 2.86Å; S133-N163 VanDerWaalsContact CB-O 3.22Å; S133-N163 WeakPolarHBondContact CB-O 3.5Å; S133-N163 PolarHBondContact N-O 3.18Å; S133-N163 PolarHBondContact OG-O 2.88Å; S133-Q165 VanDerWaalsContact CB-NE2 3.33Å; S133-Q165 PolarHBondContact OG-NE2 2.81Å; S133-A170 WeakPolarHBondContact OG-CB 3.39Å; S133-M171 PolarHBondContact O-N 3.22Å
134S97.1Very high97.5Very high8 Ų838.9 Ų38.96%0.05619%0.192CC..THydrogen-bonded Turntrans-88.2-18.5177.1750000112.9D132 R136 K167 N169D132-S134 PolarHBondContact O-N 2.83Å; D132-S134 WeakPolarHBondContact OD1-CA 3.43Å; D132-S134 WeakPolarHBondContact OD1-CB 3.34Å; D132-S134 PolarHBondContact OD1-N 2.84Å; D132-S134 PolarHBondContact OD1-OG 2.9Å; S134-R136 VanDerWaalsContact C-N 3.34Å; S134-R136 PolarHBondContact O-N 3.46Å; S134-R136 VanDerWaalsContact O-N 3.09Å; S134-K167 VanDerWaalsContact CB-CD 3.41Å; S134-K167 WeakPolarHBondContact OG-CD 3.47Å; S134-K167 PolarHBondContact OG-NZ 3.36Å; S134-K167 VanDerWaalsContact OG-NZ 3.09Å; S134-N169 WeakPolarHBondContact CB-OD1 3.34Å; S134-N169 PolarHBondContact O-ND2 2.93Å
135D97.1Very high97.7Very high36 Ų3639.9 Ų39.919%0.19320%0.196CC..  trans-91.469.5-174.5-163.1-20.4000111.9D132 K137 R138 L139D132-D135 HydrophobicContact CB-CB 3.86Å; D132-D135 PolarHBondContact O-N 2.73Å; D132-D135 VanDerWaalsContact O-N 3.13Å; D132-D135 PolarHBondContact OD1-N 3.05Å; D135-K137 PolarHBondContact O-N 3.23Å; D135-K137 VanDerWaalsContact O-N 3.11Å; D135-R138 PolarHBondContact O-N 2.95Å; D135-R138 PolarHBondContact OD1-N 3.46Å; D135-R138 IonicContact OD2-CZ 3.39Å; D135-R138 IonicContact OD2-NE 3.69Å; D135-R138 PolarHBondContact OD2-NE 2.89Å; D135-R138 IonicContact OD2-NH2 2.7Å; D135-R138 PolarHBondContact OD2-NH2 3.37Å; D135-L139 PolarHBondContact O-N 2.95Å
136R96.5Very high97.8Very high110 Ų11036.2 Ų36.242%0.41518%0.179SC..THydrogen-bonded Turntrans-58.4-28.2-177.5-51.3-160168.2-133.4-1.2113S134 N169 M171 E175S134-R136 VanDerWaalsContact C-N 3.34Å; S134-R136 PolarHBondContact O-N 3.46Å; S134-R136 VanDerWaalsContact O-N 3.09Å; R136-N169 PolarHBondContact NE-O 3.4Å; R136-M171 HydrophobicContact CB-CE 4.01Å; R136-M171 HydrophobicContact CG-CE 3.66Å; R136-M171 HydrophobicContact CG-CG 4.49Å; R136-E175 IonicContact CZ-OE1 3.16Å; R136-E175 IonicContact NH1-OE1 3.13Å; R136-E175 PolarHBondContact NH1-OE1 3.02Å; R136-E175 IonicContact NH2-OE1 2.79Å; R136-E175 PolarHBondContact NH2-OE1 3.14Å; R136-E175 IonicContact NH2-OE2 3.51Å
137K97.4Very high97.8Very high194 Ų19437.3 Ų37.384%0.84318%0.184SC*.THydrogen-bonded Turntrans-70.3-37.6-179-67.6-176.7179.8-179.50112.3D135D135-K137 PolarHBondContact O-N 3.23Å; D135-K137 VanDerWaalsContact O-N 3.11Å
138R97.5Very high97.7Very high64 Ų6440.7 Ų40.724%0.24220%0.197CC..THydrogen-bonded Turntrans-92.7-2.8-179.3-68.7-166-65.6149.87.3114.3L61 D62 D135 Q141 A142L61-R138 HydrophobicContact CD1-CB 3.91Å; D62-R138 PolarHBondContact O-NH1 2.89Å; D62-R138 PolarHBondContact O-NH2 2.94Å; D62-R138 IonicContact OD1-NH1 2.68Å; D62-R138 IonicContact OD2-NH1 3.81Å; D62-R138 PolarHBondContact OD2-NH1 2.99Å; D62-R138 VanDerWaalsContact OD2-NH1 3.13Å; D135-R138 PolarHBondContact O-N 2.95Å; D135-R138 PolarHBondContact OD1-N 3.46Å; D135-R138 IonicContact OD2-CZ 3.39Å; D135-R138 IonicContact OD2-NE 3.69Å; D135-R138 PolarHBondContact OD2-NE 2.89Å; D135-R138 IonicContact OD2-NH2 2.7Å; D135-R138 PolarHBondContact OD2-NH2 3.37Å; R138-Q141 WeakPolarHBondContact O-CB 3.29Å; R138-Q141 PolarHBondContact O-N 3.45Å; R138-Q141 VanDerWaalsContact O-N 3.09Å; R138-A142 PolarHBondContact O-N 3.41Å
139L96.9Very high97.6Very high5 Ų540.7 Ų40.73%0.02620%0.197CC..Hα-helixtrans-56.5-41.9176.2-83.6172.1000115V131 D135 Q141 A142 K143 M171 L176 A179 L180V131-L139 HydrophobicContact CG1-CD2 3.43Å; V131-L139 VanDerWaalsContact CG1-CD2 3.43Å; D135-L139 PolarHBondContact O-N 2.95Å; L139-Q141 PolarHBondContact O-N 3.32Å; L139-A142 PolarHBondContact O-N 3.46Å; L139-A142 VanDerWaalsContact O-N 3.15Å; L139-K143 WeakPolarHBondContact O-CB 3.44Å; L139-K143 PolarHBondContact O-N 2.94Å; L139-M171 HydrophobicContact CD1-CE 3.14Å; L139-M171 HydrophobicContact CD1-SD 3.17Å; L139-M171 WeakPolarHBondContact CD1-SD 3.48Å; L139-L176 HydrophobicContact CD1-CD2 4.49Å; L139-L176 HydrophobicContact CD2-CD2 4.04Å; L139-A179 HydrophobicContact CD1-CB 4.19Å; L139-L180 HydrophobicContact CD2-CD2 3.89Å; L139-L180 HydrophobicContact CD2-CG 4.43Å
140P98.3Very high97.4Very high88 Ų8840.8 Ų40.857%0.57120%0.197SC*.Hα-helixtrans-58-38.1175-26.636.2000112.7A144P140-A144 WeakPolarHBondContact O-CB 3.36Å; P140-A144 PolarHBondContact O-N 3.09Å
141Q98.4Very high97.1Very high72 Ų7249.2 Ų49.234%0.33623%0.229SC..Hα-helixtrans-69.3-43.8175.4-173.1176.738.700111.3L61 R114 R138 L139 K143 A144 E145L61-Q141 HydrophobicContact CD1-CB 4.25Å; L61-Q141 HydrophobicContact CD1-CG 4.29Å; L61-Q141 HydrophobicContact CD2-CG 4.28Å; R114-Q141 VanDerWaalsContact NH1-CD 3.3Å; R138-Q141 WeakPolarHBondContact O-CB 3.29Å; R138-Q141 PolarHBondContact O-N 3.45Å; R138-Q141 VanDerWaalsContact O-N 3.09Å; L139-Q141 PolarHBondContact O-N 3.32Å; Q141-K143 VanDerWaalsContact C-N 3.31Å; Q141-K143 PolarHBondContact O-N 2.89Å; Q141-A144 PolarHBondContact O-N 3.34Å; Q141-E145 PolarHBondContact O-N 3.42Å
142A98.4Very high96.8Very high4 Ų454.3 Ų54.33%0.03326%0.255CS..Hα-helixtrans-61.1-40.6176.600000111.8L61 Y129 R138 L139 L146 L180L61-A142 HydrophobicContact CD1-CB 3.82Å; L61-A142 HydrophobicContact CG-CB 4.07Å; Y129-A142 HydrophobicContact CE1-CB 4.49Å; Y129-A142 PolarHBondContact OH-O 3.21Å; R138-A142 PolarHBondContact O-N 3.41Å; L139-A142 PolarHBondContact O-N 3.46Å; L139-A142 VanDerWaalsContact O-N 3.15Å; A142-L146 WeakPolarHBondContact O-CB 3.48Å; A142-L146 PolarHBondContact O-N 2.82Å; A142-L180 HydrophobicContact CB-CD2 4.5Å
143K98.4Very high96.5Very high68 Ų6856.4 Ų56.430%0.29627%0.267SS..Hα-helixtrans-61.3-51.1172.7172.5-179.9166178.70111.2L139 Q141 E145 L146 H147 A179 L180 S181L139-K143 WeakPolarHBondContact O-CB 3.44Å; L139-K143 PolarHBondContact O-N 2.94Å; Q141-K143 VanDerWaalsContact C-N 3.31Å; Q141-K143 PolarHBondContact O-N 2.89Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 3.03Å; K143-L146 PolarHBondContact O-N 3.29Å; K143-H147 WeakPolarHBondContact O-CB 3.35Å; K143-H147 PolarHBondContact O-CD2 2.81Å; K143-H147 PolarHBondContact O-N 3.09Å; K143-A179 WeakPolarHBondContact CD-O 3.43Å; K143-L180 HydrophobicContact CB-CD2 4.08Å; K143-S181 WeakPolarHBondContact CE-OG 3.29Å; K143-S181 PolarHBondContact NZ-OG 3.14Å
144A98.1Very high96.1Very high58 Ų5860.1 Ų60.148%0.47929%0.293SS..Hα-helixtrans-57.8-44.1-17700000111.7P140 Q141 R148P140-A144 WeakPolarHBondContact O-CB 3.36Å; P140-A144 PolarHBondContact O-N 3.09Å; Q141-A144 PolarHBondContact O-N 3.34Å; A144-R148 WeakPolarHBondContact O-CB 3.48Å; A144-R148 PolarHBondContact O-N 2.69Å
145E98.1Very high95.8Very high35 Ų3567.4 Ų67.416%0.16433%0.326CS..Hα-helixtrans-67.7-44.2176.3-70.3-62.3163.300112.9L61 W117 Q141 K143 H147 R148 L149L61-E145 HydrophobicContact CD2-CG 4.38Å; W117-E145 HydrophobicContact CZ3-CB 3.85Å; W117-E145 HydrophobicContact CZ3-CG 4.21Å; Q141-E145 PolarHBondContact O-N 3.42Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 3.03Å; E145-H147 PolarHBondContact O-N 3.31Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 2.91Å; E145-R148 IonicContact OE2-CZ 3.3Å; E145-R148 VanDerWaalsContact OE2-CZ 3.3Å; E145-R148 IonicContact OE2-NE 2.84Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 2.87Å; E145-R148 PolarHBondContact OE2-NH2 2.84Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.83Å
146L97.8Very high95.6Very high0 Ų066.1 Ų66.10%032%0.319CS..Hα-helixtrans-56.5-53.7175.5176.258.9000110.1Y129 A142 K143 R148 L149 L150 V158 V160 L182Y129-L146 HydrophobicContact CD1-CB 4.13Å; Y129-L146 HydrophobicContact CD1-CD1 3.96Å; Y129-L146 HydrophobicContact CD1-CD2 4.08Å; Y129-L146 HydrophobicContact CD1-CG 4.28Å; Y129-L146 HydrophobicContact CD2-CD1 4.09Å; Y129-L146 HydrophobicContact CE1-CB 3.74Å; Y129-L146 HydrophobicContact CE1-CD1 4.43Å; Y129-L146 HydrophobicContact CE1-CD2 4.34Å; Y129-L146 HydrophobicContact CE1-CG 4.39Å; Y129-L146 HydrophobicContact CE2-CB 4.33Å; Y129-L146 HydrophobicContact CG-CD1 3.77Å; A142-L146 WeakPolarHBondContact O-CB 3.48Å; A142-L146 PolarHBondContact O-N 2.82Å; K143-L146 PolarHBondContact O-N 3.29Å; L146-R148 PolarHBondContact O-N 2.78Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 2.84Å; L146-L150 HydrophobicContact CD1-CD1 3.91Å; L146-L150 HydrophobicContact CD1-CD2 4.01Å; L146-L150 HydrophobicContact CD1-CG 3.87Å; L146-L150 HydrophobicContact CG-CD1 3.95Å; L146-L150 HydrophobicContact CG-CG 4.22Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.47Å; L146-L150 PolarHBondContact O-N 3.31Å; L146-V158 HydrophobicContact CD1-CG1 4.5Å; L146-V160 HydrophobicContact CD2-CG2 4.2Å; L146-L182 HydrophobicContact CD2-CD2 3.72Å
147H97.2Very high95.6Very high23 Ų2361.5 Ų61.511%0.10630%0.303CS..Hα-helixtrans-59.9-35.5-180-77.6-129.7000112K143 E145 R151 L180 V185K143-H147 WeakPolarHBondContact O-CB 3.35Å; K143-H147 PolarHBondContact O-CD2 2.81Å; K143-H147 PolarHBondContact O-N 3.09Å; E145-H147 PolarHBondContact O-N 3.31Å; H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å; H147-R151 VanDerWaalsContact O-N 3.17Å; H147-R151 PolarHBondContact O-NH1 2.8Å; H147-L180 PolarHBondContact NE2-O 3.15Å; H147-V185 VanDerWaalsContact CE1-CG1 3.44Å; H147-V185 WeakPolarHBondContact CE1-CG1 3.45Å
148R95.8Very high95.6Very high70 Ų7052.2 Ų52.226%0.26426%0.263SS..Hα-helixtrans-61.7-44.4173.6-174.6-176.670.392.2-3.3112R114 A144 E145 L146R114-R148 PolarHBondContact O-NH2 2.8Å; A144-R148 WeakPolarHBondContact O-CB 3.48Å; A144-R148 PolarHBondContact O-N 2.69Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 2.91Å; E145-R148 IonicContact OE2-CZ 3.3Å; E145-R148 VanDerWaalsContact OE2-CZ 3.3Å; E145-R148 IonicContact OE2-NE 2.84Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 2.87Å; E145-R148 PolarHBondContact OE2-NH2 2.84Å; L146-R148 PolarHBondContact O-N 2.78Å
149L95.6Very high95.6Very high2 Ų249.2 Ų49.21%0.0125%0.252CS..Hα-helixtrans-66-45.8177.2-63.8166.4000111.5L59 W117 T118 L121 L127 Y129 E145 L146 R151 L152L59-L149 HydrophobicContact CD1-CD1 3.59Å; L59-L149 HydrophobicContact CD1-CD2 4.1Å; W117-L149 HydrophobicContact CB-CD2 3.92Å; W117-L149 HydrophobicContact CE3-CD1 3.84Å; W117-L149 HydrophobicContact CE3-CD2 4.37Å; W117-L149 HydrophobicContact CE3-CG 4.43Å; W117-L149 HydrophobicContact CZ3-CD1 4.23Å; T118-L149 HydrophobicContact CG2-CD2 4.19Å; L121-L149 HydrophobicContact CD1-CB 4.4Å; L121-L149 HydrophobicContact CD1-CD2 3.89Å; L121-L149 HydrophobicContact CG-CD2 4.41Å; L127-L149 HydrophobicContact CD2-CD1 4.4Å; Y129-L149 HydrophobicContact CD2-CD1 4.3Å; Y129-L149 HydrophobicContact CE2-CD1 4.14Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.83Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 2.84Å; L149-R151 VanDerWaalsContact C-N 3.26Å; L149-R151 PolarHBondContact O-N 3.33Å; L149-L152 WeakPolarHBondContact O-CB 3.45Å; L149-L152 PolarHBondContact O-N 3.05Å
150L94.2Very high95.6Very high3 Ų349 Ų492%0.01625%0.25CS..Hα-helixtrans-66.6-25.6-176.3-60.7-172.9000113.4L127 L146 L152 D153 V158 V185 R189L127-L150 HydrophobicContact CD2-CD2 4.19Å; L146-L150 HydrophobicContact CD1-CD1 3.91Å; L146-L150 HydrophobicContact CD1-CD2 4.01Å; L146-L150 HydrophobicContact CD1-CG 3.87Å; L146-L150 HydrophobicContact CG-CD1 3.95Å; L146-L150 HydrophobicContact CG-CG 4.22Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.47Å; L146-L150 PolarHBondContact O-N 3.31Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 2.77Å; L150-D153 CarbonylContact O-C 3.47Å; L150-V158 HydrophobicContact CD2-CB 4.41Å; L150-V158 HydrophobicContact CD2-CG1 4.38Å; L150-V158 HydrophobicContact CD2-CG2 3.4Å; L150-V185 HydrophobicContact CD1-CB 3.72Å; L150-V185 HydrophobicContact CD1-CG1 4.32Å; L150-V185 HydrophobicContact CD1-CG2 3.6Å; L150-R189 PolarHBondContact O-NH2 3.28Å
151R93.2Very high95.5Very high177 Ų17745 Ų4567%0.66822%0.224SC*.THydrogen-bonded Turntrans-69.3-21.8173.4-77.8-171.3-61.3-91.85.2113.8H147 L149H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å; H147-R151 VanDerWaalsContact O-N 3.17Å; H147-R151 PolarHBondContact O-NH1 2.8Å; L149-R151 VanDerWaalsContact C-N 3.26Å; L149-R151 PolarHBondContact O-N 3.33Å
152L92.4Very high95.5Very high110 Ų11041.6 Ų41.658%0.57621%0.208SC*.THydrogen-bonded Turntrans-83.4-25.4-177.1-65.2174.3000112.8T118 L121 L149 L150T118-L152 HydrophobicContact CG2-CD1 3.23Å; L121-L152 HydrophobicContact CD1-CB 4.15Å; L121-L152 HydrophobicContact CD1-CD1 3.97Å; L149-L152 WeakPolarHBondContact O-CB 3.45Å; L149-L152 PolarHBondContact O-N 3.05Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 2.77Å
153D91.1Very high95.3Very high57 Ų5741.8 Ų41.831%0.30521%0.209SC..  trans-142.1108.3176-170.3-31.9000109.1L150 Q155 L156 R189L150-D153 CarbonylContact O-C 3.47Å; D153-Q155 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact OD1-N 3.19Å; D153-L156 HydrophobicContact CB-CB 3.92Å; D153-L156 PolarHBondContact OD1-N 3.03Å; D153-R189 PolarHBondContact O-NH1 3.07Å; D153-R189 PolarHBondContact O-NH2 2.58Å
154S89Confident95.1Very high79 Ų7940.6 Ų40.655%0.55220%0.204SC*.SBendtrans-75.2-19.1-177.358.70000113.5R189S154-R189 WeakPolarHBondContact O-CB 3.43Å
155Q90.2Very high94.9Very high161 Ų16140 Ų4075%0.75219%0.191SC*.SBendtrans-105.5-16.5-173.3-66-172.6-2300113D153 P157D153-Q155 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact OD1-N 3.19Å; Q155-P157 WeakPolarHBondContact O-CD 3.38Å; Q155-P157 VanDerWaalsContact O-N 3.15Å
156L93.5Very high94.5Very high8 Ų843.2 Ų43.24%0.04221%0.209CC..  trans-54117.3-179.7-175.362.9000111.7L121 T124 L127 D153 V158L121-L156 HydrophobicContact CD2-CD2 3.7Å; T124-L156 HydrophobicContact CG2-CD1 4.01Å; T124-L156 HydrophobicContact CG2-CD2 4.44Å; T124-L156 WeakPolarHBondContact O-CD1 3.18Å; L127-L156 HydrophobicContact CB-CD2 3.8Å; L127-L156 HydrophobicContact CB-CG 4.21Å; D153-L156 HydrophobicContact CB-CB 3.92Å; D153-L156 PolarHBondContact OD1-N 3.03Å; L156-V158 VanDerWaalsContact O-CG2 3.26Å; L156-V158 WeakPolarHBondContact O-CG2 3.29Å
157P96.1Very high94.2Very high13 Ų1347 Ų478%0.08423%0.226CC..  trans-61.7137.7172.5-22.533.7000111.5H125 V126 L127 Q155 R190 L219H125-P157 WeakPolarHBondContact O-CD 3.43Å; V126-P157 HydrophobicContact CG2-CB 4.44Å; L127-P157 PolarHBondContact N-O 3.42Å; Q155-P157 WeakPolarHBondContact O-CD 3.38Å; Q155-P157 VanDerWaalsContact O-N 3.15Å; P157-R190 CarbonylContact C-O 3.46Å; P157-R190 WeakPolarHBondContact CA-O 3.46Å; P157-R190 HydrophobicContact CB-CB 4.3Å; P157-L219 HydrophobicContact CB-CB 4.21Å; P157-L219 HydrophobicContact CB-CD1 4.28Å; P157-L219 HydrophobicContact CB-CD2 3.79Å; P157-L219 HydrophobicContact CB-CG 4.32Å
158V96.8Very high93.9Very high0 Ų054.8 Ų54.80%026%0.262CS..EExtended strand (participates in β ladder)trans-130.5131.1-173.7-177.40000111.4L127 L146 L150 L156 V160 R190 L191 F192L127-V158 HydrophobicContact CB-CG2 4.11Å; L127-V158 HydrophobicContact CD2-CG1 4.35Å; L127-V158 HydrophobicContact CD2-CG2 4.22Å; L127-V158 HydrophobicContact CG-CG1 4.38Å; L127-V158 CarbonylContact O-C 3.54Å; L127-V158 VanDerWaalsContact O-CA 3.31Å; L127-V158 WeakPolarHBondContact O-CA 3.33Å; L146-V158 HydrophobicContact CD1-CG1 4.5Å; L150-V158 HydrophobicContact CD2-CB 4.41Å; L150-V158 HydrophobicContact CD2-CG1 4.38Å; L150-V158 HydrophobicContact CD2-CG2 3.4Å; L156-V158 VanDerWaalsContact O-CG2 3.26Å; L156-V158 WeakPolarHBondContact O-CG2 3.29Å; V158-V160 HydrophobicContact CG1-CG2 4.09Å; V158-R190 PolarHBondContact N-O 2.98Å; V158-L191 CarbonylContact O-C 3.57Å; V158-L191 WeakPolarHBondContact O-CA 3.44Å; V158-F192 PolarHBondContact O-N 2.9Å
159V97.4Very high93.8Very high0 Ų054.2 Ų54.20%026%0.264CS..EExtended strand (participates in β ladder)trans-113.1110.9169-176.40000108.4V126 L127 V128 Y129 L161 F192 L194 F212 L215 I216 L219V126-V159 HydrophobicContact CG1-CG2 4.25Å; L127-V159 PolarHBondContact O-N 2.84Å; V128-V159 CarbonylContact C-O 3.43Å; V128-V159 WeakPolarHBondContact CA-O 3.37Å; V128-V159 HydrophobicContact CG2-CB 4.45Å; Y129-V159 PolarHBondContact N-O 3.32Å; V159-L161 HydrophobicContact CG1-CD2 3.82Å; V159-L161 HydrophobicContact CG1-CG 4.38Å; V159-F192 CarbonylContact C-O 3.57Å; V159-F192 WeakPolarHBondContact CA-O 3.43Å; V159-L194 HydrophobicContact CG1-CD1 4.06Å; V159-L194 HydrophobicContact CG1-CG 4.43Å; V159-F212 HydrophobicContact CG1-CD2 4.38Å; V159-F212 HydrophobicContact CG1-CE2 4.08Å; V159-L215 HydrophobicContact CG1-CD2 4.11Å; V159-L215 HydrophobicContact CG2-CD2 3.95Å; V159-L215 HydrophobicContact CG2-CG 4.37Å; V159-I216 HydrophobicContact CG2-CD1 3.9Å; V159-L219 HydrophobicContact CG2-CD1 3.48Å; V159-L219 VanDerWaalsContact CG2-CD1 3.48Å
160V97.8Very high93.9Very high0 Ų055 Ų550%027%0.271CS..EExtended strand (participates in β ladder)trans-87.3123.4172-1760000108.6Y129 V131 L146 V158 L180 L182 F192 L193 L194Y129-V160 CarbonylContact O-C 3.56Å; Y129-V160 WeakPolarHBondContact O-CA 3.48Å; V131-V160 HydrophobicContact CG2-CG1 4.06Å; L146-V160 HydrophobicContact CD2-CG2 4.2Å; V158-V160 HydrophobicContact CG1-CG2 4.09Å; V160-L180 HydrophobicContact CG1-CD1 3.9Å; V160-L182 HydrophobicContact CG2-CD1 4.43Å; V160-L182 HydrophobicContact CG2-CD2 4.3Å; V160-F192 PolarHBondContact N-O 3.38Å; V160-L193 HydrophobicContact CB-CD1 3.81Å; V160-L193 HydrophobicContact CG1-CD1 3.62Å; V160-L193 WeakPolarHBondContact O-CA 3.47Å; V160-L194 PolarHBondContact O-N 3.18Å
161L96.8Very high94Very high5 Ų555.6 Ų55.63%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-104.7106.1175.4-61.5-176.2000109.8I69 V128 Y129 V130 V131 V159 N163 L194 F212I69-L161 HydrophobicContact CD1-CD1 3.89Å; I69-L161 HydrophobicContact CG2-CD1 4.25Å; V128-L161 HydrophobicContact CG1-CD1 3.7Å; V128-L161 HydrophobicContact CG1-CG 4.06Å; Y129-L161 PolarHBondContact O-N 3.09Å; V130-L161 HydrophobicContact CG2-CB 4.48Å; V130-L161 HydrophobicContact CG2-CD1 4.38Å; V131-L161 PolarHBondContact N-O 3.43Å; V159-L161 HydrophobicContact CG1-CD2 3.82Å; V159-L161 HydrophobicContact CG1-CG 4.38Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 3.39Å; L161-L194 HydrophobicContact CD2-CB 3.85Å; L161-L194 HydrophobicContact CD2-CD1 4.06Å; L161-L194 HydrophobicContact CD2-CG 4.4Å; L161-F212 HydrophobicContact CD1-CD2 4.25Å; L161-F212 HydrophobicContact CD1-CE2 3.78Å; L161-F212 HydrophobicContact CD1-CZ 4.22Å; L161-F212 HydrophobicContact CD2-CD2 4.01Å; L161-F212 HydrophobicContact CD2-CE2 4.05Å; L161-F212 HydrophobicContact CG-CE2 4.27Å
162G96.7Very high94.1Very high0 Ų049.7 Ų49.70%026%0.26CS..EExtended strand (participates in β ladder)trans-75.582.2169.400000110.6Q165 L194 A196G162-Q165 WeakPolarHBondContact O-CG 3.36Å; G162-Q165 PolarHBondContact O-NE2 3.47Å; G162-Q165 VanDerWaalsContact O-NE2 3.12Å; G162-L194 PolarHBondContact N-O 3.27Å; G162-A196 PolarHBondContact O-N 3.32Å
163N95.4Very high94.2Very high9 Ų947.7 Ų47.75%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-79.6163.8-172.9-168.631.6000113.1A64 I69 V130 V131 S133 L161 A196A64-N163 PolarHBondContact O-ND2 2.81Å; I69-N163 HydrophobicContact CD1-CB 4.3Å; V130-N163 HydrophobicContact CG1-CB 3.92Å; V131-N163 WeakPolarHBondContact O-CB 3.28Å; V131-N163 PolarHBondContact O-N 3.27Å; S133-N163 VanDerWaalsContact CB-O 3.22Å; S133-N163 WeakPolarHBondContact CB-O 3.5Å; S133-N163 PolarHBondContact N-O 3.18Å; S133-N163 PolarHBondContact OG-O 2.88Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 3.39Å; N163-A196 CarbonylContact C-O 3.37Å; N163-A196 VanDerWaalsContact CA-O 3.28Å; N163-A196 WeakPolarHBondContact CA-O 3.12Å; N163-A196 HydrophobicContact CB-CB 4.49Å; N163-A196 PolarHBondContact OD1-O 3.34Å
164K93.6Very high94.5Very high42 Ų4248.6 Ų48.618%0.18326%0.262CS..  trans69.337.9177.8-42.8-165.7-165.4171.80114.8G63 D132 D166 K167 A196G63-K164 VanDerWaalsContact O-CE 3.27Å; G63-K164 WeakPolarHBondContact O-CE 3.14Å; G63-K164 PolarHBondContact O-NZ 3.44Å; D132-K164 WeakPolarHBondContact OD1-CD 3.38Å; D132-K164 WeakPolarHBondContact OD2-CD 3.33Å; D132-K164 WeakPolarHBondContact OD2-CE 3.34Å; D132-K164 IonicContact OD2-NZ 2.67Å; D132-K164 PolarHBondContact OD2-NZ 2.79Å; K164-D166 VanDerWaalsContact C-OD1 3.24Å; K164-D166 VanDerWaalsContact CA-OD1 3.23Å; K164-D166 WeakPolarHBondContact CA-OD1 3.15Å; K164-D166 PolarHBondContact O-N 3.29Å; K164-K167 HydrophobicContact CB-CD 3.99Å; K164-K167 HydrophobicContact CB-CG 4.37Å; K164-K167 HydrophobicContact CD-CD 4.24Å; K164-K167 PolarHBondContact O-N 3.12Å; K164-A196 PolarHBondContact N-O 2.98Å
165Q93.2Very high94.9Very high47 Ų4748 Ų4822%0.2225%0.251CS..THydrogen-bonded Turntrans-65.7-11177.4-63.5-73.4-34.600113.6S133 G162 K167 M171 A195 A196 Q197S133-Q165 VanDerWaalsContact CB-NE2 3.33Å; S133-Q165 PolarHBondContact OG-NE2 2.81Å; G162-Q165 WeakPolarHBondContact O-CG 3.36Å; G162-Q165 PolarHBondContact O-NE2 3.47Å; G162-Q165 VanDerWaalsContact O-NE2 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.25Å; Q165-K167 PolarHBondContact O-N 3.06Å; Q165-M171 PolarHBondContact NE2-O 3.41Å; Q165-M171 PolarHBondContact OE1-O 3.27Å; Q165-A195 HydrophobicContact CG-CB 3.96Å; Q165-A196 WeakPolarHBondContact CG-O 3.18Å; Q165-A196 PolarHBondContact N-O 2.93Å; Q165-Q197 HydrophobicContact CB-CB 4.16Å
166D90.5Very high95.2Very high101 Ų10140.4 Ų40.454%0.5422%0.215SC..THydrogen-bonded Turntrans-70-17.7172.357.3-70.7000113.7K164K164-D166 VanDerWaalsContact C-OD1 3.24Å; K164-D166 VanDerWaalsContact CA-OD1 3.23Å; K164-D166 WeakPolarHBondContact CA-OD1 3.15Å; K164-D166 PolarHBondContact O-N 3.29Å
167K92.6Very high95.4Very high80 Ų8043.9 Ų43.935%0.34823%0.231SC..SBendtrans-84.7143.1-176.7-68.5179.4170.7-172.60112.3D132 S134 K164 Q165 N169 A170D132-K167 IonicContact OD2-NZ 3.87Å; S134-K167 VanDerWaalsContact CB-CD 3.41Å; S134-K167 WeakPolarHBondContact OG-CD 3.47Å; S134-K167 PolarHBondContact OG-NZ 3.36Å; S134-K167 VanDerWaalsContact OG-NZ 3.09Å; K164-K167 HydrophobicContact CB-CD 3.99Å; K164-K167 HydrophobicContact CB-CG 4.37Å; K164-K167 HydrophobicContact CD-CD 4.24Å; K164-K167 PolarHBondContact O-N 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.25Å; Q165-K167 PolarHBondContact O-N 3.06Å; K167-N169 PolarHBondContact O-N 3.09Å; K167-A170 WeakPolarHBondContact O-CB 3.47Å; K167-A170 PolarHBondContact O-N 3.48Å
168H90.6Very high95.5Very high186 Ų18649.6 Ų49.686%0.86126%0.257SS*.THydrogen-bonded Turntrans-57.2-29.3-176.894.4-74.6000114.9
169N93.8Very high95.5Very high58 Ų5851.3 Ų51.331%0.3127%0.271SS..THydrogen-bonded Turntrans-102.611.8-177.463.5-40.3000113S134 R136 K167 M171S134-N169 WeakPolarHBondContact CB-OD1 3.34Å; S134-N169 PolarHBondContact O-ND2 2.93Å; R136-N169 PolarHBondContact NE-O 3.4Å; K167-N169 PolarHBondContact O-N 3.09Å; N169-M171 PolarHBondContact O-N 3.23Å
170A96Very high95.5Very high19 Ų1951.3 Ų51.316%0.15727%0.271CS..PPolyproline II helixtrans-57.5135.7173.900000110.6S133 K167S133-A170 WeakPolarHBondContact OG-CB 3.39Å; K167-A170 WeakPolarHBondContact O-CB 3.47Å; K167-A170 PolarHBondContact O-N 3.48Å
171M96.7Very high95.5Very high16 Ų1653 Ų538%0.07928%0.283CS..PPolyproline II helixtrans-76.7138.6172.1-75.5-172.717600111S133 R136 L139 Q165 N169 E175 L176 A179S133-M171 PolarHBondContact O-N 3.22Å; R136-M171 HydrophobicContact CB-CE 4.01Å; R136-M171 HydrophobicContact CG-CE 3.66Å; R136-M171 HydrophobicContact CG-CG 4.49Å; L139-M171 HydrophobicContact CD1-CE 3.14Å; L139-M171 HydrophobicContact CD1-SD 3.17Å; L139-M171 WeakPolarHBondContact CD1-SD 3.48Å; Q165-M171 PolarHBondContact NE2-O 3.41Å; Q165-M171 PolarHBondContact OE1-O 3.27Å; N169-M171 PolarHBondContact O-N 3.23Å; M171-E175 WeakPolarHBondContact CA-OE2 3.46Å; M171-E175 HydrophobicContact CB-CB 3.92Å; M171-E175 HydrophobicContact CG-CB 4.09Å; M171-E175 HydrophobicContact SD-CB 4.2Å; M171-L176 HydrophobicContact CB-CD1 4.48Å; M171-L176 HydrophobicContact CB-CD2 3.98Å; M171-L176 HydrophobicContact CB-CG 3.69Å; M171-L176 HydrophobicContact SD-CD2 3.98Å; M171-L176 HydrophobicContact SD-CG 4.43Å; M171-A179 HydrophobicContact CE-CB 4.39Å; M171-A179 HydrophobicContact SD-CB 4.16Å
172S96Very high95.4Very high53 Ų5352.8 Ų52.837%0.37128%0.282SS..PPolyproline II helixtrans-61.3164.6166.565.10000111.7S174 E175 L176S172-S174 VanDerWaalsContact C-N 3.26Å; S172-S174 PolarHBondContact O-N 3.03Å; S172-E175 WeakPolarHBondContact CB-OE2 3.36Å; S172-E175 PolarHBondContact N-OE2 3.36Å; S172-E175 PolarHBondContact O-N 2.99Å; S172-E175 WeakPolarHBondContact OG-CG 3.47Å; S172-E175 PolarHBondContact OG-N 3.41Å; S172-E175 PolarHBondContact OG-OE2 2.66Å; S172-L176 PolarHBondContact O-N 3.11Å
173V94.9Very high95.2Very high68 Ų6855.3 Ų55.341%0.41231%0.307SS..Hα-helixtrans-57-41.1176.6176.90000111.5L176 H177 L193 A195V173-L176 PolarHBondContact O-N 3.35Å; V173-H177 WeakPolarHBondContact O-CB 3.36Å; V173-H177 PolarHBondContact O-N 3.24Å; V173-L193 HydrophobicContact CG1-CD2 3.72Å; V173-L193 HydrophobicContact CG1-CG 4.04Å; V173-L193 VanDerWaalsContact O-CD2 3.29Å; V173-L193 WeakPolarHBondContact O-CD2 3.14Å; V173-A195 HydrophobicContact CG2-CB 3.89Å
174S96.6Very high94.9Very high75 Ų7558.3 Ų58.352%0.52433%0.334SS..Hα-helixtrans-65.3-47.5178.5-161.60000111.7S172 L176 H177 E178S172-S174 VanDerWaalsContact C-N 3.26Å; S172-S174 PolarHBondContact O-N 3.03Å; S174-L176 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 2.92Å; S174-H177 WeakPolarHBondContact O-CB 3.46Å; S174-H177 PolarHBondContact O-N 3.38Å; S174-E178 PolarHBondContact O-N 3.18Å
175E97.3Very high94.7Very high67 Ų6757 Ų5731%0.31333%0.33SS..Hα-helixtrans-60.5-42.2177.5-75171.7106.400111.6R136 M171 S172 E178 A179R136-E175 IonicContact CZ-OE1 3.16Å; R136-E175 IonicContact NH1-OE1 3.13Å; R136-E175 PolarHBondContact NH1-OE1 3.02Å; R136-E175 IonicContact NH2-OE1 2.79Å; R136-E175 PolarHBondContact NH2-OE1 3.14Å; R136-E175 IonicContact NH2-OE2 3.51Å; M171-E175 WeakPolarHBondContact CA-OE2 3.46Å; M171-E175 HydrophobicContact CB-CB 3.92Å; M171-E175 HydrophobicContact CG-CB 4.09Å; M171-E175 HydrophobicContact SD-CB 4.2Å; S172-E175 WeakPolarHBondContact CB-OE2 3.36Å; S172-E175 PolarHBondContact N-OE2 3.36Å; S172-E175 PolarHBondContact O-N 2.99Å; S172-E175 WeakPolarHBondContact OG-CG 3.47Å; S172-E175 PolarHBondContact OG-N 3.41Å; S172-E175 PolarHBondContact OG-OE2 2.66Å; E175-E178 PolarHBondContact O-N 2.84Å; E175-A179 WeakPolarHBondContact O-CB 3.45Å; E175-A179 PolarHBondContact O-N 3.03Å
176L97.3Very high94Very high1 Ų156.4 Ų56.41%0.00533%0.332CS..Hα-helixtrans-64.6-42.6176.6-79.6173.6000112.2V131 L139 M171 S172 V173 S174 E178 A179 L180 L193V131-L176 HydrophobicContact CG1-CD2 4.31Å; L139-L176 HydrophobicContact CD1-CD2 4.49Å; L139-L176 HydrophobicContact CD2-CD2 4.04Å; M171-L176 HydrophobicContact CB-CD1 4.48Å; M171-L176 HydrophobicContact CB-CD2 3.98Å; M171-L176 HydrophobicContact CB-CG 3.69Å; M171-L176 HydrophobicContact SD-CD2 3.98Å; M171-L176 HydrophobicContact SD-CG 4.43Å; S172-L176 PolarHBondContact O-N 3.11Å; V173-L176 PolarHBondContact O-N 3.35Å; S174-L176 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 2.92Å; L176-E178 VanDerWaalsContact C-N 3.3Å; L176-E178 PolarHBondContact O-N 2.93Å; L176-A179 PolarHBondContact O-N 3.31Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.5Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.17Å; L176-L193 HydrophobicContact CB-CD2 4.09Å
177H97.3Very high93.4Very high81 Ų8157.6 Ų57.638%0.37534%0.339SS..Hα-helixtrans-58.4-45178.1-178.8-84.9000111.3V173 S174 S181 L182 L193V173-H177 WeakPolarHBondContact O-CB 3.36Å; V173-H177 PolarHBondContact O-N 3.24Å; S174-H177 WeakPolarHBondContact O-CB 3.46Å; S174-H177 PolarHBondContact O-N 3.38Å; H177-S181 WeakPolarHBondContact O-CA 3.36Å; H177-S181 PolarHBondContact O-N 3.23Å; H177-S181 VanDerWaalsContact O-N 3.09Å; H177-L182 PolarHBondContact O-N 3.34Å; H177-L193 HydrophobicContact CB-CD2 3.89Å
178E97.4Very high92.9Very high134 Ų13462.1 Ų62.163%0.62637%0.367SS*.Hα-helixtrans-68.2-50.2176.3-70.8175.1-165.700112.2S174 E175 L176 L180 S181S174-E178 PolarHBondContact O-N 3.18Å; E175-E178 PolarHBondContact O-N 2.84Å; L176-E178 VanDerWaalsContact C-N 3.3Å; L176-E178 PolarHBondContact O-N 2.93Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.1Å; E178-S181 WeakPolarHBondContact O-CA 3.15Å; E178-S181 PolarHBondContact O-N 2.78Å; E178-S181 PolarHBondContact O-OG 2.96Å
179A97.4Very high92.9Very high36 Ų3654.2 Ų54.230%0.29833%0.329SS..Hα-helixtrans-62-36.5-176.600000112.6L139 K143 M171 E175 L176 S181L139-A179 HydrophobicContact CD1-CB 4.19Å; K143-A179 WeakPolarHBondContact CD-O 3.43Å; M171-A179 HydrophobicContact CE-CB 4.39Å; M171-A179 HydrophobicContact SD-CB 4.16Å; E175-A179 WeakPolarHBondContact O-CB 3.45Å; E175-A179 PolarHBondContact O-N 3.03Å; L176-A179 PolarHBondContact O-N 3.31Å; A179-S181 VanDerWaalsContact C-N 3.32Å
180L97.8Very high92.9Very high0 Ų057 Ų570%034%0.335CS..THydrogen-bonded Turntrans-85.6-7.5174.5-62.1173.4000112.6V131 L139 A142 K143 H147 V160 L176 E178 L182V131-L180 HydrophobicContact CG2-CD1 4.07Å; L139-L180 HydrophobicContact CD2-CD2 3.89Å; L139-L180 HydrophobicContact CD2-CG 4.43Å; A142-L180 HydrophobicContact CB-CD2 4.5Å; K143-L180 HydrophobicContact CB-CD2 4.08Å; H147-L180 PolarHBondContact NE2-O 3.15Å; V160-L180 HydrophobicContact CG1-CD1 3.9Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.5Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.17Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.1Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 HydrophobicContact CB-CD2 3.61Å; L180-L182 HydrophobicContact CB-CG 3.83Å; L180-L182 HydrophobicContact CD1-CD2 4.32Å; L180-L182 PolarHBondContact O-N 3.23Å
181S97.1Very high92.9Very high36 Ų3657.7 Ų57.725%0.25234%0.336SS..THydrogen-bonded Turntrans50.249.7-177.7-50.20000112.2K143 H177 E178 A179 G183 A184K143-S181 WeakPolarHBondContact CE-OG 3.29Å; K143-S181 PolarHBondContact NZ-OG 3.14Å; H177-S181 WeakPolarHBondContact O-CA 3.36Å; H177-S181 PolarHBondContact O-N 3.23Å; H177-S181 VanDerWaalsContact O-N 3.09Å; E178-S181 WeakPolarHBondContact O-CA 3.15Å; E178-S181 PolarHBondContact O-N 2.78Å; E178-S181 PolarHBondContact O-OG 2.96Å; A179-S181 VanDerWaalsContact C-N 3.32Å; S181-G183 VanDerWaalsContact C-N 3.26Å; S181-G183 PolarHBondContact O-N 2.83Å; S181-A184 PolarHBondContact O-N 3.17Å; S181-A184 VanDerWaalsContact O-N 3.16Å
182L95.3Very high92.8Very high0 Ų060.8 Ų60.80%035%0.349CS..G310 helixtrans-66.2-30.3-174.2-59.3-179.6000112.2L146 V160 H177 L180 A184 V185 A186 L191 L193L146-L182 HydrophobicContact CD2-CD2 3.72Å; V160-L182 HydrophobicContact CG2-CD1 4.43Å; V160-L182 HydrophobicContact CG2-CD2 4.3Å; H177-L182 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 HydrophobicContact CB-CD2 3.61Å; L180-L182 HydrophobicContact CB-CG 3.83Å; L180-L182 HydrophobicContact CD1-CD2 4.32Å; L180-L182 PolarHBondContact O-N 3.23Å; L182-A184 PolarHBondContact O-N 3.36Å; L182-A184 VanDerWaalsContact O-N 3.17Å; L182-V185 VanDerWaalsContact O-CG2 3.24Å; L182-V185 WeakPolarHBondContact O-CG2 3.17Å; L182-V185 PolarHBondContact O-N 3.09Å; L182-A186 WeakPolarHBondContact O-CB 3.17Å; L182-A186 PolarHBondContact O-N 3.13Å; L182-L191 HydrophobicContact CB-CD2 4.28Å; L182-L191 HydrophobicContact CD1-CD2 4.14Å; L182-L193 HydrophobicContact CD1-CB 4.14Å; L182-L193 HydrophobicContact CD1-CD1 4.4Å; L182-L193 HydrophobicContact CD1-CD2 3.92Å; L182-L193 HydrophobicContact CD1-CG 4.38Å
183G92.4Very high92.8Very high52 Ų5259.6 Ų59.654%0.53634%0.339SS..G310 helixtrans-60.8-22.9174.800000114.3S181 V185S181-G183 VanDerWaalsContact C-N 3.26Å; S181-G183 PolarHBondContact O-N 2.83Å; G183-V185 VanDerWaalsContact C-N 3.33Å
184A89.6Confident92.7Very high73 Ų7359.3 Ų59.360%0.60334%0.335SS*.G310 helixtrans-84-7.117800000113.8S181 L182S181-A184 PolarHBondContact O-N 3.17Å; S181-A184 VanDerWaalsContact O-N 3.16Å; L182-A184 PolarHBondContact O-N 3.36Å; L182-A184 VanDerWaalsContact O-N 3.17Å
185V88.1Confident92.5Very high15 Ų1558.2 Ų58.29%0.09133%0.33CS..THydrogen-bonded Turntrans-128.65.3-177.5-66.80000112.2H147 L150 L182 G183 R189 L191H147-V185 VanDerWaalsContact CE1-CG1 3.44Å; H147-V185 WeakPolarHBondContact CE1-CG1 3.45Å; L150-V185 HydrophobicContact CD1-CB 3.72Å; L150-V185 HydrophobicContact CD1-CG1 4.32Å; L150-V185 HydrophobicContact CD1-CG2 3.6Å; L182-V185 VanDerWaalsContact O-CG2 3.24Å; L182-V185 WeakPolarHBondContact O-CG2 3.17Å; L182-V185 PolarHBondContact O-N 3.09Å; G183-V185 VanDerWaalsContact C-N 3.33Å; V185-R189 WeakPolarHBondContact O-CD 3.39Å; V185-R189 PolarHBondContact O-NE 3.29Å; V185-L191 HydrophobicContact CG2-CD1 4.21Å
186A79.4Confident91.9Very high34 Ų3456 Ų5628%0.28132%0.323SS..  trans-74.9-29.3-177.300000112.6L182 D188 R189L182-A186 WeakPolarHBondContact O-CB 3.17Å; L182-A186 PolarHBondContact O-N 3.13Å; A186-D188 PolarHBondContact O-N 3.39Å; A186-R189 WeakPolarHBondContact O-CG 3.49Å; A186-R189 PolarHBondContact O-N 3.19Å; A186-R189 VanDerWaalsContact O-N 3.11Å
187D77.6Confident91.3Very high126 Ų12659.5 Ų59.567%0.67434%0.34SS*.THydrogen-bonded Turntrans22.1-128.5178.7-60.3-17.9000114.3R189D187-R189 VanDerWaalsContact C-N 3.34Å
188D82.1Confident90.1Very high174 Ų17458.4 Ų58.493%0.9334%0.336SS*.THydrogen-bonded Turntrans-91.75.9172.3-65.9-36.8000112.5A186A186-D188 PolarHBondContact O-N 3.39Å
189R91.2Very high88.5Confident20 Ų2053.1 Ų53.18%0.07532%0.318CS..SBendtrans-83.1147.9-175.783.417468.1-136.11111L150 D153 S154 V185 A186 D187 L191L150-R189 PolarHBondContact O-NH2 3.28Å; D153-R189 PolarHBondContact O-NH1 3.07Å; D153-R189 PolarHBondContact O-NH2 2.58Å; S154-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 WeakPolarHBondContact O-CD 3.39Å; V185-R189 PolarHBondContact O-NE 3.29Å; A186-R189 WeakPolarHBondContact O-CG 3.49Å; A186-R189 PolarHBondContact O-N 3.19Å; A186-R189 VanDerWaalsContact O-N 3.11Å; D187-R189 VanDerWaalsContact C-N 3.34Å; R189-L191 HydrophobicContact CG-CB 4.17Å; R189-L191 PolarHBondContact O-N 3.19Å; R189-L191 VanDerWaalsContact O-N 3.13Å
190R93.9Very high86.6Confident116 Ų11657.2 Ų57.244%0.43834%0.344SS..  trans-75.2104.4169.4-67.2-177.9-67.3165.73109.2P157 V158 F192 Q218 L219P157-R190 CarbonylContact C-O 3.46Å; P157-R190 WeakPolarHBondContact CA-O 3.46Å; P157-R190 HydrophobicContact CB-CB 4.3Å; V158-R190 PolarHBondContact N-O 2.98Å; R190-F192 HydrophobicContact CB-CE2 4.12Å; R190-Q218 PolarHBondContact NH1-O 3.49Å; R190-Q218 VanDerWaalsContact NH1-O 3.07Å; R190-L219 HydrophobicContact CB-CD2 3.79Å; R190-L219 HydrophobicContact CG-CD2 4.46Å; R190-L219 PolarHBondContact NH2-O 2.88Å
191L95.4Very high85.1Confident34 Ų3460.8 Ų60.818%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-120.2124.5178.9-171.2157.4000110.5V158 L182 V185 R189V158-L191 CarbonylContact O-C 3.57Å; V158-L191 WeakPolarHBondContact O-CA 3.44Å; L182-L191 HydrophobicContact CB-CD2 4.28Å; L182-L191 HydrophobicContact CD1-CD2 4.14Å; V185-L191 HydrophobicContact CG2-CD1 4.21Å; R189-L191 HydrophobicContact CG-CB 4.17Å; R189-L191 PolarHBondContact O-N 3.19Å; R189-L191 VanDerWaalsContact O-N 3.13Å
192F95.3Very high83.7Confident81 Ų8163.7 Ų63.736%0.35538%0.376SS..EExtended strand (participates in β ladder)trans-120.6138.3176.8-62-87.7000110.6V158 V159 V160 R190 L215 L219V158-F192 PolarHBondContact O-N 2.9Å; V159-F192 CarbonylContact C-O 3.57Å; V159-F192 WeakPolarHBondContact CA-O 3.43Å; V160-F192 PolarHBondContact N-O 3.38Å; R190-F192 HydrophobicContact CB-CE2 4.12Å; F192-L215 HydrophobicContact CB-CD2 3.98Å; F192-L215 HydrophobicContact CD1-CD1 4.16Å; F192-L215 HydrophobicContact CD2-CD1 4Å; F192-L215 HydrophobicContact CD2-CD2 4.42Å; F192-L215 HydrophobicContact CE1-CD1 4.18Å; F192-L215 HydrophobicContact CE2-CD1 4.02Å; F192-L215 HydrophobicContact CG-CD1 4.07Å; F192-L215 HydrophobicContact CG-CD2 4.08Å; F192-L215 HydrophobicContact CZ-CD1 4.11Å; F192-L219 HydrophobicContact CD2-CD1 4.15Å; F192-L219 HydrophobicContact CD2-CD2 4.25Å; F192-L219 HydrophobicContact CE2-CD1 4.31Å; F192-L219 HydrophobicContact CE2-CD2 3.63Å; F192-L219 HydrophobicContact CE2-CG 4.33Å
193L95.2Very high82.3Confident29 Ų2969.8 Ų69.815%0.15241%0.408CS..EExtended strand (participates in β ladder)trans-114.3121171.4173.762.5000109V160 V173 L176 H177 L182V160-L193 HydrophobicContact CB-CD1 3.81Å; V160-L193 HydrophobicContact CG1-CD1 3.62Å; V160-L193 WeakPolarHBondContact O-CA 3.47Å; V173-L193 HydrophobicContact CG1-CD2 3.72Å; V173-L193 HydrophobicContact CG1-CG 4.04Å; V173-L193 VanDerWaalsContact O-CD2 3.29Å; V173-L193 WeakPolarHBondContact O-CD2 3.14Å; L176-L193 HydrophobicContact CB-CD2 4.09Å; H177-L193 HydrophobicContact CB-CD2 3.89Å; L182-L193 HydrophobicContact CD1-CB 4.14Å; L182-L193 HydrophobicContact CD1-CD1 4.4Å; L182-L193 HydrophobicContact CD1-CD2 3.92Å; L182-L193 HydrophobicContact CD1-CG 4.38Å
194L93.4Very high81Confident61 Ų6171.1 Ų71.132%0.31940%0.402SS..EExtended strand (participates in β ladder)trans-119.4140.8178-56.1177.4000110.6V159 V160 L161 G162 F212 L215V159-L194 HydrophobicContact CG1-CD1 4.06Å; V159-L194 HydrophobicContact CG1-CG 4.43Å; V160-L194 PolarHBondContact O-N 3.18Å; L161-L194 HydrophobicContact CD2-CB 3.85Å; L161-L194 HydrophobicContact CD2-CD1 4.06Å; L161-L194 HydrophobicContact CD2-CG 4.4Å; G162-L194 PolarHBondContact N-O 3.27Å; L194-F212 HydrophobicContact CD1-CD2 4.45Å; L194-L215 HydrophobicContact CD1-CD2 3.72Å; L194-L215 HydrophobicContact CG-CD2 4.38Å
195A91.1Very high80Confident53 Ų5367.8 Ų67.844%0.43837%0.374SS..EExtended strand (participates in β ladder)trans-81129.2168.900000108.8Q165 V173Q165-A195 HydrophobicContact CG-CB 3.96Å; V173-A195 HydrophobicContact CG2-CB 3.89Å
196A86.3Confident79.1Confident20 Ų2069.8 Ų69.817%0.16539%0.389CS..  trans-125.4137.5-178.900000111.3G162 N163 K164 Q165G162-A196 PolarHBondContact O-N 3.32Å; N163-A196 CarbonylContact C-O 3.37Å; N163-A196 VanDerWaalsContact CA-O 3.28Å; N163-A196 WeakPolarHBondContact CA-O 3.12Å; N163-A196 HydrophobicContact CB-CB 4.49Å; N163-A196 PolarHBondContact OD1-O 3.34Å; K164-A196 PolarHBondContact N-O 2.98Å; Q165-A196 WeakPolarHBondContact CG-O 3.18Å; Q165-A196 PolarHBondContact N-O 2.93Å
197Q83.1Confident78.9Confident75 Ų7577.5 Ų77.535%0.3541%0.411SS..  trans-140.9139.3167.658.4-179.212.600109.5Q165 G199Q165-Q197 HydrophobicContact CB-CB 4.16Å; Q197-G199 PolarHBondContact O-N 3.5Å
198L73Confident78.8Confident57 Ų5775.1 Ų75.130%0.29840%0.398SS..  trans-9386.9167.6-126.371.8000106.9S68S68-L198 WeakPolarHBondContact O-CD2 3.5Å
199G64.1Low78.6Confident23 Ų2367.8 Ų67.824%0.23736%0.359CS..  trans-74.9168.1177.700000112.8R81 Q197 D201 V205R81-G199 PolarHBondContact NH1-O 3.34Å; Q197-G199 PolarHBondContact O-N 3.5Å; G199-D201 VanDerWaalsContact C-N 3.28Å; G199-V205 WeakPolarHBondContact O-CG2 3.47Å
200S58.3Low78.2Confident123 Ų12371.4 Ų71.486%0.8638%0.377SS*.SBendtrans-75.3-16.8171.1550000113.5D202S200-D202 PolarHBondContact O-N 2.87Å
201D66.2Low77.7Confident74 Ų7468.6 Ų68.640%0.39638%0.378SS..  trans-85.1108177.6-172.8-16.7000110.6G199 L203 I204 V205G199-D201 VanDerWaalsContact C-N 3.28Å; D201-L203 PolarHBondContact O-N 2.9Å; D201-L203 WeakPolarHBondContact OD1-CB 3.22Å; D201-L203 PolarHBondContact OD1-N 2.63Å; D201-I204 HydrophobicContact CB-CB 4.4Å; D201-I204 HydrophobicContact CB-CD1 4.12Å; D201-I204 HydrophobicContact CB-CG1 4.3Å; D201-I204 PolarHBondContact O-N 2.93Å; D201-I204 WeakPolarHBondContact OD2-CD1 3.49Å; D201-V205 WeakPolarHBondContact O-CG2 3.28Å; D201-V205 PolarHBondContact O-N 3.26Å; D201-V205 VanDerWaalsContact O-N 3.14Å
202D66.6Low77.3Confident98 Ų9867.5 Ų67.552%0.52437%0.372SS..Hα-helixtrans-62-27.2-176.8-69.6-30000113.1R81 S200 S206R81-D202 IonicContact CZ-OD1 3.39Å; R81-D202 IonicContact NH1-OD1 2.9Å; R81-D202 IonicContact NH2-OD1 2.88Å; R81-D202 PolarHBondContact NH2-OD1 3.17Å; S200-D202 PolarHBondContact O-N 2.87Å; D202-S206 VanDerWaalsContact O-CB 3.29Å; D202-S206 WeakPolarHBondContact O-CB 3.45Å; D202-S206 PolarHBondContact O-N 3.03Å; D202-S206 PolarHBondContact O-OG 2.87Å
203L65.6Low76.9Confident127 Ų12765.7 Ų65.767%0.66537%0.365SS*.Hα-helixtrans-74-43.9-179.9-67.4173000112D201 V205 S206 R207D201-L203 PolarHBondContact O-N 2.9Å; D201-L203 WeakPolarHBondContact OD1-CB 3.22Å; D201-L203 PolarHBondContact OD1-N 2.63Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-S206 PolarHBondContact O-N 3.46Å; L203-R207 WeakPolarHBondContact O-CG 3.29Å; L203-R207 PolarHBondContact O-N 3Å
204I66.3Low76.5Confident80 Ų8067.5 Ų67.541%0.4138%0.375SS..Hα-helixtrans-65.1-42.2176.8-64.2175.8000109.7D201 R207 N208D201-I204 HydrophobicContact CB-CB 4.4Å; D201-I204 HydrophobicContact CB-CD1 4.12Å; D201-I204 HydrophobicContact CB-CG1 4.3Å; D201-I204 PolarHBondContact O-N 2.93Å; D201-I204 WeakPolarHBondContact OD2-CD1 3.49Å; I204-R207 PolarHBondContact O-N 3.2Å; I204-N208 WeakPolarHBondContact O-CB 3.42Å; I204-N208 VanDerWaalsContact O-CG 3.3Å; I204-N208 PolarHBondContact O-N 2.86Å; I204-N208 PolarHBondContact O-ND2 2.95Å
205V67.8Low76.4Confident4 Ų465.5 Ų65.52%0.02436%0.364CS..Hα-helixtrans-61-48.6176.1173.30000110.3G199 D201 L203 R207 N208 L209G199-V205 WeakPolarHBondContact O-CG2 3.47Å; D201-V205 WeakPolarHBondContact O-CG2 3.28Å; D201-V205 PolarHBondContact O-N 3.26Å; D201-V205 VanDerWaalsContact O-N 3.14Å; L203-V205 VanDerWaalsContact C-N 3.32Å; V205-R207 VanDerWaalsContact C-N 3.33Å; V205-R207 PolarHBondContact O-N 2.55Å; V205-N208 PolarHBondContact O-N 3.49Å; V205-L209 HydrophobicContact CG1-CD1 3.49Å; V205-L209 VanDerWaalsContact CG1-CD1 3.49Å; V205-L209 HydrophobicContact CG1-CG 4.11Å; V205-L209 WeakPolarHBondContact O-CB 3.45Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.18Å
206S70Confident76.4Confident57 Ų5763 Ų6340%0.39934%0.343SS..Hα-helixtrans-59.2-42.4179.5-58.80000112.5D202 L203 L209 Q210D202-S206 VanDerWaalsContact O-CB 3.29Å; D202-S206 WeakPolarHBondContact O-CB 3.45Å; D202-S206 PolarHBondContact O-N 3.03Å; D202-S206 PolarHBondContact O-OG 2.87Å; L203-S206 PolarHBondContact O-N 3.46Å; S206-L209 PolarHBondContact O-N 3.44Å; S206-Q210 WeakPolarHBondContact O-CB 3.17Å; S206-Q210 PolarHBondContact O-N 3.18Å
207R74.6Confident76.6Confident195 Ų19564.1 Ų64.174%0.73635%0.346SS*.Hα-helixtrans-64.7-45.4177-74.9-177.2-178.2-163.51.5113L203 I204 V205 L209 Q210 A211L203-R207 WeakPolarHBondContact O-CG 3.29Å; L203-R207 PolarHBondContact O-N 3Å; I204-R207 PolarHBondContact O-N 3.2Å; V205-R207 VanDerWaalsContact C-N 3.33Å; V205-R207 PolarHBondContact O-N 2.55Å; R207-L209 VanDerWaalsContact C-N 3.29Å; R207-L209 PolarHBondContact O-N 3.26Å; R207-Q210 PolarHBondContact O-N 3.5Å; R207-A211 PolarHBondContact O-N 3.41Å
208N76.4Confident76.8Confident77 Ų7767.1 Ų67.141%0.41236%0.36SS..Hα-helixtrans-64.6-38.1179.2-71.2-18.2000111.5I204 V205 F212I204-N208 WeakPolarHBondContact O-CB 3.42Å; I204-N208 VanDerWaalsContact O-CG 3.3Å; I204-N208 PolarHBondContact O-N 2.86Å; I204-N208 PolarHBondContact O-ND2 2.95Å; V205-N208 PolarHBondContact O-N 3.49Å; N208-F212 WeakPolarHBondContact O-CB 3.23Å; N208-F212 PolarHBondContact O-N 2.7Å
209L77.8Confident77.6Confident20 Ų2064.7 Ų64.711%0.10535%0.348CS..Hα-helixtrans-69.4-38.7176.6-68.2174000112G72 L73 V205 S206 R207 F212 Q213G72-L209 WeakPolarHBondContact O-CD1 3.25Å; L73-L209 HydrophobicContact CD2-CB 3.89Å; L73-L209 HydrophobicContact CD2-CD2 3.56Å; L73-L209 HydrophobicContact CD2-CG 4.2Å; L73-L209 HydrophobicContact CG-CD2 3.88Å; V205-L209 HydrophobicContact CG1-CD1 3.49Å; V205-L209 VanDerWaalsContact CG1-CD1 3.49Å; V205-L209 HydrophobicContact CG1-CG 4.11Å; V205-L209 WeakPolarHBondContact O-CB 3.45Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.18Å; S206-L209 PolarHBondContact O-N 3.44Å; R207-L209 VanDerWaalsContact C-N 3.29Å; R207-L209 PolarHBondContact O-N 3.26Å; L209-F212 WeakPolarHBondContact O-CB 3.17Å; L209-F212 PolarHBondContact O-N 2.78Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3.02Å
210Q81.3Confident78.5Confident96 Ų9666.3 Ų66.345%0.44935%0.353SS..Hα-helixtrans-62.9-49.6173.6-17363.550.600111S206 R207 F212 Q213 D214S206-Q210 WeakPolarHBondContact O-CB 3.17Å; S206-Q210 PolarHBondContact O-N 3.18Å; R207-Q210 PolarHBondContact O-N 3.5Å; Q210-F212 PolarHBondContact O-N 2.84Å; Q210-Q213 PolarHBondContact O-N 3.25Å; Q210-D214 PolarHBondContact NE2-OD1 2.79Å; Q210-D214 PolarHBondContact O-N 3.47Å
211A84Confident79.5Confident57 Ų5763.5 Ų63.547%0.47133%0.327SS..Hα-helixtrans-59.3-36.6177.400000112.1R207 L215R207-A211 PolarHBondContact O-N 3.41Å; A211-L215 WeakPolarHBondContact O-CB 3.37Å; A211-L215 PolarHBondContact O-N 3.13Å
212F87.1Confident80.2Confident11 Ų1162.9 Ų62.95%0.04832%0.324CS..Hα-helixtrans-64.2-47.3172.5172.2-102.2000112L73 F104 V128 V159 L161 L194 N208 L209 Q210 D214 L215 I216L73-F212 HydrophobicContact CD1-CD1 4.23Å; L73-F212 HydrophobicContact CD1-CE1 3.84Å; L73-F212 HydrophobicContact CD2-CD1 3.87Å; L73-F212 HydrophobicContact CD2-CE1 4.32Å; F104-F212 AromaticContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CE1 3.98Å; F104-F212 HydrophobicContact CE1-CZ 4.35Å; F104-F212 HydrophobicContact CZ-CE1 4.37Å; V128-F212 HydrophobicContact CG1-CE2 4.11Å; V128-F212 HydrophobicContact CG1-CZ 3.96Å; V128-F212 HydrophobicContact CG2-CE2 4.04Å; V128-F212 HydrophobicContact CG2-CZ 3.73Å; V159-F212 HydrophobicContact CG1-CD2 4.38Å; V159-F212 HydrophobicContact CG1-CE2 4.08Å; L161-F212 HydrophobicContact CD1-CD2 4.25Å; L161-F212 HydrophobicContact CD1-CE2 3.78Å; L161-F212 HydrophobicContact CD1-CZ 4.22Å; L161-F212 HydrophobicContact CD2-CD2 4.01Å; L161-F212 HydrophobicContact CD2-CE2 4.05Å; L161-F212 HydrophobicContact CG-CE2 4.27Å; L194-F212 HydrophobicContact CD1-CD2 4.45Å; N208-F212 WeakPolarHBondContact O-CB 3.23Å; N208-F212 PolarHBondContact O-N 2.7Å; L209-F212 WeakPolarHBondContact O-CB 3.17Å; L209-F212 PolarHBondContact O-N 2.78Å; Q210-F212 PolarHBondContact O-N 2.84Å; F212-D214 PolarHBondContact O-N 3.17Å; F212-L215 PolarHBondContact O-N 3.28Å; F212-I216 HydrophobicContact CD2-CG1 4.45Å; F212-I216 HydrophobicContact CE1-CG1 4.14Å; F212-I216 HydrophobicContact CE2-CD1 4.05Å; F212-I216 HydrophobicContact CE2-CG1 4.05Å; F212-I216 HydrophobicContact CZ-CD1 4.07Å; F212-I216 HydrophobicContact CZ-CG1 3.9Å; F212-I216 VanDerWaalsContact O-CG1 3.32Å; F212-I216 WeakPolarHBondContact O-CG1 3.48Å; F212-I216 PolarHBondContact O-N 3.09Å
213Q85.9Confident81Confident42 Ų4261 Ų6120%0.19631%0.313CS..Hα-helixtrans-60.6-44.7176.4-72.7176.711.300111.8L73 L209 Q210 L215 I216 L217L73-Q213 HydrophobicContact CD2-CG 3.93Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3.02Å; Q210-Q213 PolarHBondContact O-N 3.25Å; Q213-L215 VanDerWaalsContact C-N 3.31Å; Q213-L215 PolarHBondContact O-N 2.8Å; Q213-I216 PolarHBondContact O-N 3.38Å; Q213-I216 VanDerWaalsContact O-N 3.16Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 3.39Å
214D88.3Confident81.9Confident68 Ų6857.1 Ų57.136%0.36429%0.292SS..Hα-helixtrans-60.9-41.7178.5-63.9-18.1000111.2Q210 F212 L217 Q218Q210-D214 PolarHBondContact NE2-OD1 2.79Å; Q210-D214 PolarHBondContact O-N 3.47Å; F212-D214 PolarHBondContact O-N 3.17Å; D214-L217 PolarHBondContact O-N 3.11Å; D214-Q218 WeakPolarHBondContact O-CG 3.18Å; D214-Q218 PolarHBondContact O-N 2.68Å
215L91.2Very high82.9Confident19 Ų1955.7 Ų55.710%0.09929%0.285CS..Hα-helixtrans-62.5-44.5174.4177.863.3000111.8V159 F192 L194 A211 F212 Q213 L217 Q218 L219V159-L215 HydrophobicContact CG1-CD2 4.11Å; V159-L215 HydrophobicContact CG2-CD2 3.95Å; V159-L215 HydrophobicContact CG2-CG 4.37Å; F192-L215 HydrophobicContact CB-CD2 3.98Å; F192-L215 HydrophobicContact CD1-CD1 4.16Å; F192-L215 HydrophobicContact CD2-CD1 4Å; F192-L215 HydrophobicContact CD2-CD2 4.42Å; F192-L215 HydrophobicContact CE1-CD1 4.18Å; F192-L215 HydrophobicContact CE2-CD1 4.02Å; F192-L215 HydrophobicContact CG-CD1 4.07Å; F192-L215 HydrophobicContact CG-CD2 4.08Å; F192-L215 HydrophobicContact CZ-CD1 4.11Å; L194-L215 HydrophobicContact CD1-CD2 3.72Å; L194-L215 HydrophobicContact CG-CD2 4.38Å; A211-L215 WeakPolarHBondContact O-CB 3.37Å; A211-L215 PolarHBondContact O-N 3.13Å; F212-L215 PolarHBondContact O-N 3.28Å; Q213-L215 VanDerWaalsContact C-N 3.31Å; Q213-L215 PolarHBondContact O-N 2.8Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 2.67Å; L215-Q218 PolarHBondContact O-N 2.7Å; L215-L219 HydrophobicContact CD1-CD1 4.48Å; L215-L219 HydrophobicContact CG-CD1 4.29Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 3.29Å
216I91.2Very high83.9Confident0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-60.8-41.6176.8-65.3-62.8000110.4V56 L102 V126 V128 V159 F212 Q213 Q218 L219 V220V56-I216 HydrophobicContact CG1-CD1 4.44Å; V56-I216 HydrophobicContact CG2-CG2 3.63Å; L102-I216 HydrophobicContact CD1-CG2 4.04Å; L102-I216 HydrophobicContact CD2-CG2 3.94Å; V126-I216 HydrophobicContact CB-CD1 4.43Å; V126-I216 HydrophobicContact CG1-CD1 3.68Å; V128-I216 HydrophobicContact CG2-CD1 3.69Å; V159-I216 HydrophobicContact CG2-CD1 3.9Å; F212-I216 HydrophobicContact CD2-CG1 4.45Å; F212-I216 HydrophobicContact CE1-CG1 4.14Å; F212-I216 HydrophobicContact CE2-CD1 4.05Å; F212-I216 HydrophobicContact CE2-CG1 4.05Å; F212-I216 HydrophobicContact CZ-CD1 4.07Å; F212-I216 HydrophobicContact CZ-CG1 3.9Å; F212-I216 VanDerWaalsContact O-CG1 3.32Å; F212-I216 WeakPolarHBondContact O-CG1 3.48Å; F212-I216 PolarHBondContact O-N 3.09Å; Q213-I216 PolarHBondContact O-N 3.38Å; Q213-I216 VanDerWaalsContact O-N 3.16Å; I216-Q218 VanDerWaalsContact C-N 3.29Å; I216-Q218 PolarHBondContact O-N 3.2Å; I216-L219 WeakPolarHBondContact O-CB 3.37Å; I216-L219 PolarHBondContact O-N 2.98Å; I216-V220 WeakPolarHBondContact O-CG2 3.44Å; I216-V220 PolarHBondContact O-N 3.05Å
217L89Confident84.9Confident44 Ų4459.3 Ų59.323%0.2330%0.295CS..Hα-helixtrans-63.9-31.2177.5-71.2170.7000113.3A97 C100 L102 Q213 D214 L215 L219 V220A97-L217 HydrophobicContact CB-CD1 3.94Å; A97-L217 HydrophobicContact CB-CD2 3.73Å; A97-L217 HydrophobicContact CB-CG 4.43Å; C100-L217 WeakPolarHBondContact SG-CD2 3.41Å; L102-L217 HydrophobicContact CD1-CD2 3.97Å; L102-L217 HydrophobicContact CD1-CG 4.22Å; L102-L217 HydrophobicContact CD2-CD2 4.08Å; L102-L217 HydrophobicContact CG-CD2 4.12Å; Q213-L217 WeakPolarHBondContact O-CG 3.48Å; Q213-L217 PolarHBondContact O-N 3.39Å; D214-L217 PolarHBondContact O-N 3.11Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 2.67Å; L217-L219 VanDerWaalsContact C-N 3.28Å; L217-V220 WeakPolarHBondContact O-CG2 3.07Å
218Q89.2Confident85.7Confident138 Ų13848.8 Ų48.865%0.64526%0.261SS*.Hα-helixtrans-74.3-20.3173.5-69.8173.94.100113.2R190 D214 L215 I216R190-Q218 PolarHBondContact NH1-O 3.49Å; R190-Q218 VanDerWaalsContact NH1-O 3.07Å; D214-Q218 WeakPolarHBondContact O-CG 3.18Å; D214-Q218 PolarHBondContact O-N 2.68Å; L215-Q218 PolarHBondContact O-N 2.7Å; I216-Q218 VanDerWaalsContact C-N 3.29Å; I216-Q218 PolarHBondContact O-N 3.2Å
219L87.9Confident86.4Confident6 Ų646.5 Ų46.53%0.03125%0.249CC..Hα-helixtrans-88.6-18.4-178-72.5174.9000113.5V126 P157 V159 R190 F192 L215 I216 L217V126-L219 HydrophobicContact CG1-CD1 3.95Å; V126-L219 HydrophobicContact CG2-CB 3.55Å; V126-L219 HydrophobicContact CG2-CD1 4.47Å; P157-L219 HydrophobicContact CB-CB 4.21Å; P157-L219 HydrophobicContact CB-CD1 4.28Å; P157-L219 HydrophobicContact CB-CD2 3.79Å; P157-L219 HydrophobicContact CB-CG 4.32Å; V159-L219 HydrophobicContact CG2-CD1 3.48Å; V159-L219 VanDerWaalsContact CG2-CD1 3.48Å; R190-L219 HydrophobicContact CB-CD2 3.79Å; R190-L219 HydrophobicContact CG-CD2 4.46Å; R190-L219 PolarHBondContact NH2-O 2.88Å; F192-L219 HydrophobicContact CD2-CD1 4.15Å; F192-L219 HydrophobicContact CD2-CD2 4.25Å; F192-L219 HydrophobicContact CE2-CD1 4.31Å; F192-L219 HydrophobicContact CE2-CD2 3.63Å; F192-L219 HydrophobicContact CE2-CG 4.33Å; L215-L219 HydrophobicContact CD1-CD1 4.48Å; L215-L219 HydrophobicContact CG-CD1 4.29Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 3.29Å; I216-L219 WeakPolarHBondContact O-CB 3.37Å; I216-L219 PolarHBondContact O-N 2.98Å; L217-L219 VanDerWaalsContact C-N 3.28Å
220V84.4Confident87.2Confident57 Ų5748.9 Ų48.935%0.34526%0.262SS..  trans-105.40-176.4-63.10000113.7R54 L102 H125 V126 I216 L217R54-V220 HydrophobicContact CB-CB 4.05Å; R54-V220 HydrophobicContact CB-CG1 3.97Å; R54-V220 HydrophobicContact CB-CG2 4.3Å; R54-V220 HydrophobicContact CG-CB 3.7Å; R54-V220 HydrophobicContact CG-CG1 4.19Å; R54-V220 HydrophobicContact CG-CG2 3.9Å; R54-V220 PolarHBondContact NE-O 3.18Å; R54-V220 PolarHBondContact NH2-O 3.3Å; L102-V220 HydrophobicContact CD2-CG2 4.4Å; H125-V220 HydrophobicContact CB-CG1 3.95Å; V126-V220 HydrophobicContact CG2-CG1 3.49Å; V126-V220 VanDerWaalsContact CG2-CG1 3.49Å; I216-V220 WeakPolarHBondContact O-CG2 3.44Å; I216-V220 PolarHBondContact O-N 3.05Å; L217-V220 WeakPolarHBondContact O-CG2 3.07Å

Retrieved 220 of 220 residues in 663.9 ms (Link to these results)