A0A5K4F1M1_SCHMA Loading...

tRNA pseudouridine synthase

AlphaFold DB , UniProt , Accession A0A5K4F1M1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 456 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.8Low65.4Low214 Ų214114.4 Ų114.4100%1.05460%0.595SS**  0-52.70-89.4179.7-176.100114.3I3 M4 S5M1-I3 PolarHBondContact O-N 2.64Å; M1-M4 PolarHBondContact O-N 2.61Å; M1-S5 PolarHBondContact O-N 2.95Å; M1-S5 VanDerWaalsContact O-N 3.16Å
2R54.5Low66.6Low227 Ų227117.5 Ų117.586%0.85760%0.6SS**Hα-helixtrans-56.5-40.9-176.3-78.2-177178.4174.4-0.5115.4S5 G6R2-S5 PolarHBondContact O-N 3.48Å; R2-S5 PolarHBondContact O-OG 2.87Å; R2-G6 PolarHBondContact O-N 3.15Å; R2-G6 VanDerWaalsContact O-N 3.12Å
3I58.2Low67.4Low142 Ų142118.8 Ų118.873%0.72860%0.602SS**Hα-helixtrans-62.3-45.2179.1-60.6174.3000111.3M1 S5 G6 M7M1-I3 PolarHBondContact O-N 2.64Å; I3-S5 PolarHBondContact O-N 3.28Å; I3-G6 PolarHBondContact O-N 2.79Å; I3-M7 PolarHBondContact O-N 3.39Å; I3-M7 VanDerWaalsContact O-N 3.08Å
4M60.3Low68Low125 Ų125118.1 Ų118.162%0.61660%0.6SS**Hα-helixtrans-64.3-39.9177.2-75.8-149.7-75.400111.9M1 G6 M7 F8M1-M4 PolarHBondContact O-N 2.61Å; M4-G6 VanDerWaalsContact C-N 3.32Å; M4-G6 PolarHBondContact O-N 3.44Å; M4-M7 PolarHBondContact O-N 3.48Å; M4-F8 VanDerWaalsContact O-CD2 3.31Å; M4-F8 WeakPolarHBondContact O-CD2 3.4Å; M4-F8 PolarHBondContact O-N 3.32Å
5S60.8Low68.8Low74 Ų74118.3 Ų118.352%0.51760%0.598SS.*Hα-helixtrans-61.3-39.7177.172.90000112.7M1 R2 I3 F8 S9M1-S5 PolarHBondContact O-N 2.95Å; M1-S5 VanDerWaalsContact O-N 3.16Å; R2-S5 PolarHBondContact O-N 3.48Å; R2-S5 PolarHBondContact O-OG 2.87Å; I3-S5 PolarHBondContact O-N 3.28Å; S5-F8 PolarHBondContact O-N 3.33Å; S5-S9 PolarHBondContact O-N 3.25Å; S5-S9 PolarHBondContact O-OG 2.94Å
6G64.3Low69.5Low39 Ų39116.1 Ų116.140%0.40260%0.597SS.*Hα-helixtrans-68.4-35.6176.700000113.1R2 I3 M4 S9 G10R2-G6 PolarHBondContact O-N 3.15Å; R2-G6 VanDerWaalsContact O-N 3.12Å; I3-G6 PolarHBondContact O-N 2.79Å; M4-G6 VanDerWaalsContact C-N 3.32Å; M4-G6 PolarHBondContact O-N 3.44Å; G6-S9 WeakPolarHBondContact CA-OG 3.38Å; G6-S9 PolarHBondContact O-OG 2.91Å; G6-G10 PolarHBondContact O-N 3.31Å
7M68.8Low70Confident122 Ų122117.1 Ų117.160%0.60159%0.591SS**Hα-helixtrans-64.8-47.2173.2-77.7-177.365.900111.7I3 M4 S9 G10 I11I3-M7 PolarHBondContact O-N 3.39Å; I3-M7 VanDerWaalsContact O-N 3.08Å; M4-M7 PolarHBondContact O-N 3.48Å; M7-S9 PolarHBondContact O-N 3.01Å; M7-G10 PolarHBondContact O-N 2.92Å; M7-I11 WeakPolarHBondContact O-CG1 3.24Å; M7-I11 PolarHBondContact O-N 2.89Å
8F72.1Confident70.7Confident141 Ų141117.2 Ų117.262%0.61859%0.593SS**Hα-helixtrans-62.5-40.7178.1-86.3-74.3000112.4M4 S5 G10 I11 K12M4-F8 VanDerWaalsContact O-CD2 3.31Å; M4-F8 WeakPolarHBondContact O-CD2 3.4Å; M4-F8 PolarHBondContact O-N 3.32Å; S5-F8 PolarHBondContact O-N 3.33Å; F8-G10 VanDerWaalsContact C-N 3.34Å; F8-I11 PolarHBondContact O-N 2.93Å; F8-K12 PolarHBondContact O-N 3Å
9S73.5Confident71.3Confident66 Ų66119.2 Ų119.246%0.46260%0.597SS.*Hα-helixtrans-65.1-38.3174.862.60000112.3S5 G6 M7 Q13S5-S9 PolarHBondContact O-N 3.25Å; S5-S9 PolarHBondContact O-OG 2.94Å; G6-S9 WeakPolarHBondContact CA-OG 3.38Å; G6-S9 PolarHBondContact O-OG 2.91Å; M7-S9 PolarHBondContact O-N 3.01Å; S9-Q13 PolarHBondContact O-N 3.26Å
10G75.3Confident71.8Confident26 Ų26116 Ų11627%0.26859%0.587SS.*Hα-helixtrans-64.1-42.817600000112.5G6 M7 F8 Q13 L14G6-G10 PolarHBondContact O-N 3.31Å; M7-G10 PolarHBondContact O-N 2.92Å; F8-G10 VanDerWaalsContact C-N 3.34Å; G10-Q13 PolarHBondContact O-N 3.17Å; G10-L14 WeakPolarHBondContact O-CG 3.15Å; G10-L14 PolarHBondContact O-N 3.39Å
11I78.8Confident72.2Confident82 Ų82112.9 Ų112.942%0.42157%0.571SS.*Hα-helixtrans-63.1-48.9176.7-68.7168.8000110.6M7 F8 Q13 L14 E15M7-I11 WeakPolarHBondContact O-CG1 3.24Å; M7-I11 PolarHBondContact O-N 2.89Å; F8-I11 PolarHBondContact O-N 2.93Å; I11-Q13 VanDerWaalsContact C-N 3.3Å; I11-Q13 PolarHBondContact O-N 3.3Å; I11-L14 WeakPolarHBondContact O-CB 3.35Å; I11-L14 PolarHBondContact O-N 2.95Å; I11-E15 HydrophobicContact CG2-CG 4.37Å; I11-E15 WeakPolarHBondContact O-CG 3.45Å; I11-E15 PolarHBondContact O-N 3.08Å
12K79.9Confident73.6Confident152 Ų152109.3 Ų109.366%0.66156%0.556SS**Hα-helixtrans-58.9-39.6176.9-78.7-171.9174.6-174.80112.7F8 E15 S16F8-K12 PolarHBondContact O-N 3Å; K12-E15 PolarHBondContact O-N 3.48Å; K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 2.95Å
13Q76.6Confident75Confident134 Ų134106.4 Ų106.463%0.62655%0.553SS**Hα-helixtrans-64.5-39.9174.3-82.1-174.3-0.200112.2S9 G10 I11 R17S9-Q13 PolarHBondContact O-N 3.26Å; G10-Q13 PolarHBondContact O-N 3.17Å; I11-Q13 VanDerWaalsContact C-N 3.3Å; I11-Q13 PolarHBondContact O-N 3.3Å; Q13-R17 WeakPolarHBondContact O-CB 3.34Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 3.39Å
14L76.4Confident76Confident109 Ų109103 Ų10357%0.57154%0.536SS*.Hα-helixtrans-66.5-42.4176.8-73.8169.6000111.7G10 I11 R17 L18G10-L14 WeakPolarHBondContact O-CG 3.15Å; G10-L14 PolarHBondContact O-N 3.39Å; I11-L14 WeakPolarHBondContact O-CB 3.35Å; I11-L14 PolarHBondContact O-N 2.95Å; L14-R17 PolarHBondContact O-N 3.49Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 3.4Å
15E80.4Confident77.2Confident121 Ų121102.2 Ų102.257%0.56553%0.534SS*.Hα-helixtrans-61.3-45.3175.2-71.7174.4163.300111.8I11 K12 R17 L18 K19I11-E15 HydrophobicContact CG2-CG 4.37Å; I11-E15 WeakPolarHBondContact O-CG 3.45Å; I11-E15 PolarHBondContact O-N 3.08Å; K12-E15 PolarHBondContact O-N 3.48Å; E15-R17 VanDerWaalsContact C-N 3.33Å; E15-R17 PolarHBondContact O-N 3.45Å; E15-L18 WeakPolarHBondContact O-CB 3.36Å; E15-L18 PolarHBondContact O-N 3.22Å; E15-K19 PolarHBondContact O-N 2.97Å
16S79.8Confident78Confident83 Ų83105.9 Ų105.958%0.5854%0.541SS*.Hα-helixtrans-60.2-42.9174.9172.80000111.9K12 K19 S20K12-S16 WeakPolarHBondContact O-CB 3.49Å; K12-S16 PolarHBondContact O-N 2.95Å; S16-K19 PolarHBondContact O-N 3.44Å; S16-S20 PolarHBondContact O-N 2.9Å; S16-S20 VanDerWaalsContact O-N 3.09Å
17R78.1Confident78.7Confident134 Ų134109 Ų10951%0.50655%0.545SS..Hα-helixtrans-65.5-39.5175.6-74.2172.867.2172.60.3111.8Q13 L14 E15 S20 L21Q13-R17 WeakPolarHBondContact O-CB 3.34Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 3.39Å; L14-R17 PolarHBondContact O-N 3.49Å; E15-R17 VanDerWaalsContact C-N 3.33Å; E15-R17 PolarHBondContact O-N 3.45Å; R17-S20 PolarHBondContact O-N 3.42Å; R17-S20 PolarHBondContact O-OG 2.93Å; R17-L21 PolarHBondContact O-N 2.96Å
18L81.5Confident79.1Confident119 Ų119104.6 Ų104.662%0.62353%0.528SS*.Hα-helixtrans-61.1-47.8177.1-159.386.9000110.3L14 E15 S20 L21L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 3.4Å; E15-L18 WeakPolarHBondContact O-CB 3.36Å; E15-L18 PolarHBondContact O-N 3.22Å; L18-S20 VanDerWaalsContact C-N 3.26Å; L18-S20 PolarHBondContact O-N 3.42Å; L18-L21 VanDerWaalsContact O-CB 3.3Å; L18-L21 WeakPolarHBondContact O-CB 3.47Å; L18-L21 PolarHBondContact O-N 2.95Å
19K82.4Confident79.4Confident155 Ų155101.5 Ų101.567%0.67452%0.517SS*.Hα-helixtrans-61.1-34177.8-163.2175.5-175.8179.20112.8E15 S16 L21 D22E15-K19 PolarHBondContact O-N 2.97Å; S16-K19 PolarHBondContact O-N 3.44Å; K19-L21 PolarHBondContact O-N 3.18Å; K19-D22 PolarHBondContact O-N 3.34Å
20S81.5Confident79.7Confident55 Ų55103.7 Ų103.739%0.38552%0.518SS..Hα-helixtrans-68.4-17.8175.276.50000114.1S16 R17 L18S16-S20 PolarHBondContact O-N 2.9Å; S16-S20 VanDerWaalsContact O-N 3.09Å; R17-S20 PolarHBondContact O-N 3.42Å; R17-S20 PolarHBondContact O-OG 2.93Å; L18-S20 VanDerWaalsContact C-N 3.26Å; L18-S20 PolarHBondContact O-N 3.42Å
21L80.6Confident79.7Confident50 Ų50108.5 Ų108.526%0.26253%0.534SS..Hα-helixtrans-75.9-28176.4-62.6174.9000111.9R17 L18 K19 E23 L24 L29 K32R17-L21 PolarHBondContact O-N 2.96Å; L18-L21 VanDerWaalsContact O-CB 3.3Å; L18-L21 WeakPolarHBondContact O-CB 3.47Å; L18-L21 PolarHBondContact O-N 2.95Å; K19-L21 PolarHBondContact O-N 3.18Å; L21-E23 PolarHBondContact O-N 3.48Å; L21-L24 HydrophobicContact CD2-CD1 3.79Å; L21-L24 WeakPolarHBondContact O-CB 3.2Å; L21-L24 PolarHBondContact O-N 2.72Å; L21-L24 VanDerWaalsContact O-N 3.12Å; L21-L29 HydrophobicContact CB-CD1 4.13Å; L21-K32 HydrophobicContact CD2-CG 4.05Å
22D81.5Confident79.7Confident139 Ų139109.4 Ų109.474%0.74354%0.535SS*.THydrogen-bonded Turntrans-66.3-16.7177.5-63.6-28.2000112.4K19K19-D22 PolarHBondContact O-N 3.34Å
23E83.3Confident79.8Confident166 Ų166104.4 Ų104.478%0.77652%0.522SS*.THydrogen-bonded Turntrans-87.6-9.5177-59.7-177177.400113.5L21L21-E23 PolarHBondContact O-N 3.48Å
24L79.2Confident79.8Confident71 Ų71100.8 Ų100.837%0.37251%0.509SS..SBendtrans-85.9140.5-177-63.2178000111.2L21 A28 L29L21-L24 HydrophobicContact CD2-CD1 3.79Å; L21-L24 WeakPolarHBondContact O-CB 3.2Å; L21-L24 PolarHBondContact O-N 2.72Å; L21-L24 VanDerWaalsContact O-N 3.12Å; L24-A28 HydrophobicContact CB-CB 4.07Å; L24-A28 HydrophobicContact CD2-CB 4.1Å; L24-L29 HydrophobicContact CB-CB 4.48Å; L24-L29 HydrophobicContact CB-CD1 4.4Å
25D85.8Confident79.8Confident108 Ų10897 Ų9758%0.57849%0.491SS*.  trans-68.7167.6166.668.142.1000111.4E27 A28 L29D25-E27 VanDerWaalsContact C-N 3.29Å; D25-E27 PolarHBondContact O-N 3.09Å; D25-E27 PolarHBondContact OD1-N 3.19Å; D25-E27 VanDerWaalsContact OD1-N 3.14Å; D25-A28 PolarHBondContact O-N 3.27Å; D25-A28 WeakPolarHBondContact OD1-CB 3.4Å; D25-A28 PolarHBondContact OD1-N 3.01Å; D25-L29 WeakPolarHBondContact O-CB 3.42Å; D25-L29 PolarHBondContact O-N 3.37Å
26F79.1Confident79.8Confident151 Ų15194.4 Ų94.466%0.66248%0.481SS*.Hα-helixtrans-57.7-39.2-175.1178.3-99.8000113.3L29 K30F26-L29 PolarHBondContact O-N 3.24Å; F26-K30 HydrophobicContact CE1-CD 4.34Å; F26-K30 VanDerWaalsContact O-CB 3.27Å; F26-K30 WeakPolarHBondContact O-CB 3.47Å; F26-K30 PolarHBondContact O-N 2.96Å
27E77.2Confident80Confident105 Ų10596.1 Ų96.149%0.49148%0.483SS..Hα-helixtrans-72.7-42.1-179.3-70.6-57.5147.800111D25 L29 K30 E31D25-E27 VanDerWaalsContact C-N 3.29Å; D25-E27 PolarHBondContact O-N 3.09Å; D25-E27 PolarHBondContact OD1-N 3.19Å; D25-E27 VanDerWaalsContact OD1-N 3.14Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.12Å; E27-K30 PolarHBondContact O-N 3.4Å; E27-E31 WeakPolarHBondContact O-CG 3.49Å; E27-E31 PolarHBondContact O-N 2.85Å
28A77.6Confident79.8Confident29 Ų2993.7 Ų93.724%0.2448%0.476CS..Hα-helixtrans-62.5-39.3173.900000111.8L24 D25 K32L24-A28 HydrophobicContact CB-CB 4.07Å; L24-A28 HydrophobicContact CD2-CB 4.1Å; D25-A28 PolarHBondContact O-N 3.27Å; D25-A28 WeakPolarHBondContact OD1-CB 3.4Å; D25-A28 PolarHBondContact OD1-N 3.01Å; A28-K32 WeakPolarHBondContact O-CB 3.44Å; A28-K32 PolarHBondContact O-N 3.18Å
29L79.5Confident79.5Confident76 Ų7691.2 Ų91.240%0.39846%0.459SS..Hα-helixtrans-64.5-44.3175-163.394.5000111.2L21 L24 D25 F26 E27 K32 A33L21-L29 HydrophobicContact CB-CD1 4.13Å; L24-L29 HydrophobicContact CB-CB 4.48Å; L24-L29 HydrophobicContact CB-CD1 4.4Å; D25-L29 WeakPolarHBondContact O-CB 3.42Å; D25-L29 PolarHBondContact O-N 3.37Å; F26-L29 PolarHBondContact O-N 3.24Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.12Å; L29-K32 WeakPolarHBondContact O-CB 3.46Å; L29-K32 PolarHBondContact O-N 3.43Å; L29-A33 WeakPolarHBondContact O-CB 3.46Å; L29-A33 PolarHBondContact O-N 3.2Å
30K79.2Confident79.5Confident112 Ų11287.8 Ų87.849%0.48745%0.448SS..Hα-helixtrans-63.2-44177.2-176.4-177.3175.5-170.10111.7F26 E27 K32 A33 V34F26-K30 HydrophobicContact CE1-CD 4.34Å; F26-K30 VanDerWaalsContact O-CB 3.27Å; F26-K30 WeakPolarHBondContact O-CB 3.47Å; F26-K30 PolarHBondContact O-N 2.96Å; E27-K30 PolarHBondContact O-N 3.4Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 3Å; K30-A33 PolarHBondContact O-N 3.45Å; K30-V34 WeakPolarHBondContact O-CG2 3.5Å; K30-V34 PolarHBondContact O-N 3.41Å
31E75Confident79.5Confident127 Ų12790.9 Ų90.959%0.59346%0.456SS*.Hα-helixtrans-59.4-43.4173.2-77.5-171.4163.600111.7E27 V34 C35E27-E31 WeakPolarHBondContact O-CG 3.49Å; E27-E31 PolarHBondContact O-N 2.85Å; E31-V34 PolarHBondContact O-N 3.29Å; E31-C35 WeakPolarHBondContact O-CB 3.49Å; E31-C35 PolarHBondContact O-N 2.97Å
32K79.5Confident79.2Confident101 Ų10191.3 Ų91.344%0.43946%0.457SS..Hα-helixtrans-62.4-43.3176.7-159.676.8175.2-169.30111.6L21 A28 L29 K30 C35 L36L21-K32 HydrophobicContact CD2-CG 4.05Å; A28-K32 WeakPolarHBondContact O-CB 3.44Å; A28-K32 PolarHBondContact O-N 3.18Å; L29-K32 WeakPolarHBondContact O-CB 3.46Å; L29-K32 PolarHBondContact O-N 3.43Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 3Å; K32-C35 WeakPolarHBondContact O-CB 3.3Å; K32-C35 PolarHBondContact O-N 3.22Å; K32-L36 HydrophobicContact CG-CD1 4.49Å; K32-L36 WeakPolarHBondContact O-CG 3.36Å; K32-L36 PolarHBondContact O-N 3.02Å
33A81.7Confident79.1Confident48 Ų4887.4 Ų87.440%0.39744%0.436SS..Hα-helixtrans-62.4-46.2177.700000111.9L29 K30 C35 L36 L37L29-A33 WeakPolarHBondContact O-CB 3.46Å; L29-A33 PolarHBondContact O-N 3.2Å; K30-A33 PolarHBondContact O-N 3.45Å; A33-C35 VanDerWaalsContact C-N 3.29Å; A33-C35 PolarHBondContact O-N 3.32Å; A33-L36 PolarHBondContact O-N 3.35Å; A33-L37 WeakPolarHBondContact O-CG 3.43Å; A33-L37 PolarHBondContact O-N 2.98Å
34V77.2Confident79.1Confident58 Ų5885.6 Ų85.635%0.35243%0.427SS..Hα-helixtrans-61.4-39.4175.5172.40000111.3K30 E31 K38K30-V34 WeakPolarHBondContact O-CG2 3.5Å; K30-V34 PolarHBondContact O-N 3.41Å; E31-V34 PolarHBondContact O-N 3.29Å; V34-K38 PolarHBondContact O-N 3.29Å
35C75.1Confident79Confident28 Ų2886.5 Ų86.519%0.18943%0.433CS..Hα-helixtrans-63.6-44.8175.9-175.80000111.9E31 K32 A33 K38 Y39E31-C35 WeakPolarHBondContact O-CB 3.49Å; E31-C35 PolarHBondContact O-N 2.97Å; K32-C35 WeakPolarHBondContact O-CB 3.3Å; K32-C35 PolarHBondContact O-N 3.22Å; A33-C35 VanDerWaalsContact C-N 3.29Å; A33-C35 PolarHBondContact O-N 3.32Å; C35-K38 PolarHBondContact O-N 3.09Å; C35-Y39 PolarHBondContact O-N 3.32Å
36L81.1Confident78.6Confident67 Ų6785.6 Ų85.635%0.35143%0.427SS..Hα-helixtrans-64.6-39.9177.6-73.9170.1000112.5K32 A33 Y39 N40K32-L36 HydrophobicContact CG-CD1 4.49Å; K32-L36 WeakPolarHBondContact O-CG 3.36Å; K32-L36 PolarHBondContact O-N 3.02Å; A33-L36 PolarHBondContact O-N 3.35Å; L36-Y39 WeakPolarHBondContact O-CB 3.42Å; L36-Y39 PolarHBondContact O-N 3.46Å; L36-N40 PolarHBondContact O-N 3.25Å
37L82.8Confident78.8Confident120 Ų12082.2 Ų82.263%0.62842%0.415SS*.Hα-helixtrans-60.8-46175.4-75.8170.8000111.8A33 Y39 N40 Q41A33-L37 WeakPolarHBondContact O-CG 3.43Å; A33-L37 PolarHBondContact O-N 2.98Å; L37-Y39 VanDerWaalsContact C-N 3.29Å; L37-Y39 PolarHBondContact O-N 2.92Å; L37-N40 PolarHBondContact O-N 2.89Å; L37-Q41 PolarHBondContact O-N 3.3Å
38K74.7Confident78.9Confident82 Ų8279.8 Ų79.836%0.35741%0.41SS..Hα-helixtrans-62.1-38.8175.4-73.1-176.7178.2-173.40111.9V34 C35 Q41 Q42V34-K38 PolarHBondContact O-N 3.29Å; C35-K38 PolarHBondContact O-N 3.09Å; K38-Q41 PolarHBondContact O-N 3.33Å; K38-Q42 WeakPolarHBondContact O-CG 3.32Å; K38-Q42 PolarHBondContact O-N 3.11Å
39Y75.3Confident78.9Confident68 Ų6885.3 Ų85.327%0.26743%0.428SS..Hα-helixtrans-65.5-45177179.3-115.7000112.2C35 L36 L37 Q41 Q42 L43 L94C35-Y39 PolarHBondContact O-N 3.32Å; L36-Y39 WeakPolarHBondContact O-CB 3.42Å; L36-Y39 PolarHBondContact O-N 3.46Å; L37-Y39 VanDerWaalsContact C-N 3.29Å; L37-Y39 PolarHBondContact O-N 2.92Å; Y39-Q41 VanDerWaalsContact C-N 3.27Å; Y39-Q41 PolarHBondContact O-N 3.28Å; Y39-Q42 WeakPolarHBondContact O-CA 3.35Å; Y39-Q42 WeakPolarHBondContact O-CB 3.49Å; Y39-Q42 PolarHBondContact O-N 3.5Å; Y39-L43 HydrophobicContact CD1-CD1 3.86Å; Y39-L43 HydrophobicContact CD1-CG 4.29Å; Y39-L43 HydrophobicContact CD2-CG 4.43Å; Y39-L43 HydrophobicContact CE1-CD1 3.29Å; Y39-L43 HydrophobicContact CE1-CD2 4.44Å; Y39-L43 HydrophobicContact CE1-CG 3.86Å; Y39-L43 HydrophobicContact CE2-CD1 4.34Å; Y39-L43 HydrophobicContact CE2-CD2 4.14Å; Y39-L43 HydrophobicContact CE2-CG 3.98Å; Y39-L43 PolarHBondContact O-N 2.87Å; Y39-L94 HydrophobicContact CD1-CD1 3.8Å; Y39-L94 HydrophobicContact CD2-CB 3.47Å; Y39-L94 VanDerWaalsContact CD2-CB 3.47Å; Y39-L94 HydrophobicContact CD2-CD1 3.84Å; Y39-L94 HydrophobicContact CD2-CD2 4.14Å; Y39-L94 HydrophobicContact CD2-CG 4.01Å; Y39-L94 HydrophobicContact CE1-CD1 3.69Å; Y39-L94 HydrophobicContact CE2-CB 3.91Å; Y39-L94 HydrophobicContact CE2-CD1 3.77Å; Y39-L94 HydrophobicContact CE2-CD2 3.63Å; Y39-L94 HydrophobicContact CE2-CG 3.96Å; Y39-L94 HydrophobicContact CG-CB 3.9Å; Y39-L94 HydrophobicContact CG-CD1 3.83Å; Y39-L94 HydrophobicContact CG-CG 4.41Å
40N82.7Confident78.8Confident83 Ų8386.1 Ų86.144%0.44443%0.432SS..Hα-helixtrans-58-43.1174.6-74.8-11.1000110.9L36 L37 Q42 L43 E44L36-N40 PolarHBondContact O-N 3.25Å; L37-N40 PolarHBondContact O-N 2.89Å; N40-Q42 VanDerWaalsContact C-N 3.3Å; N40-Q42 PolarHBondContact O-N 3.45Å; N40-L43 PolarHBondContact O-N 3.25Å; N40-E44 WeakPolarHBondContact O-CB 3.28Å; N40-E44 WeakPolarHBondContact O-CG 3.38Å; N40-E44 PolarHBondContact O-N 2.86Å
41Q80.6Confident78.8Confident119 Ų11989 Ų8956%0.55644%0.44SS*.Hα-helixtrans-62.8-35.5175.5-165.8176.521.600112.7L37 K38 Y39 N45L37-Q41 PolarHBondContact O-N 3.3Å; K38-Q41 PolarHBondContact O-N 3.33Å; Y39-Q41 VanDerWaalsContact C-N 3.27Å; Y39-Q41 PolarHBondContact O-N 3.28Å; Q41-N45 VanDerWaalsContact O-CG 3.29Å; Q41-N45 PolarHBondContact O-N 3.45Å; Q41-N45 VanDerWaalsContact O-N 3.09Å; Q41-N45 PolarHBondContact O-ND2 3.41Å
42Q74.4Confident78.6Confident60 Ų6089.8 Ų89.828%0.2844%0.442SS..Hα-helixtrans-68.1-44.1173-73.2178.8-4.800112.2K38 Y39 N40 E44 N45 I46 L94K38-Q42 WeakPolarHBondContact O-CG 3.32Å; K38-Q42 PolarHBondContact O-N 3.11Å; Y39-Q42 WeakPolarHBondContact O-CA 3.35Å; Y39-Q42 WeakPolarHBondContact O-CB 3.49Å; Y39-Q42 PolarHBondContact O-N 3.5Å; N40-Q42 VanDerWaalsContact C-N 3.3Å; N40-Q42 PolarHBondContact O-N 3.45Å; Q42-E44 VanDerWaalsContact C-N 3.34Å; Q42-N45 WeakPolarHBondContact O-CB 3.32Å; Q42-N45 PolarHBondContact O-N 3.36Å; Q42-I46 WeakPolarHBondContact O-CG1 3.33Å; Q42-I46 PolarHBondContact O-N 2.95Å; Q42-L94 PolarHBondContact OE1-O 3.29Å
43L80Confident77.8Confident57 Ų5791.2 Ų91.230%0.29845%0.45SS..Hα-helixtrans-60.9-43.7175.5-74.6-179.4000111.3Y39 N40 N45 I46 I47Y39-L43 HydrophobicContact CD1-CD1 3.86Å; Y39-L43 HydrophobicContact CD1-CG 4.29Å; Y39-L43 HydrophobicContact CD2-CG 4.43Å; Y39-L43 HydrophobicContact CE1-CD1 3.29Å; Y39-L43 HydrophobicContact CE1-CD2 4.44Å; Y39-L43 HydrophobicContact CE1-CG 3.86Å; Y39-L43 HydrophobicContact CE2-CD1 4.34Å; Y39-L43 HydrophobicContact CE2-CD2 4.14Å; Y39-L43 HydrophobicContact CE2-CG 3.98Å; Y39-L43 PolarHBondContact O-N 2.87Å; N40-L43 PolarHBondContact O-N 3.25Å; L43-N45 VanDerWaalsContact C-N 3.29Å; L43-N45 PolarHBondContact O-N 3.49Å; L43-I46 PolarHBondContact O-N 2.95Å; L43-I46 VanDerWaalsContact O-N 3.13Å; L43-I47 WeakPolarHBondContact O-CB 3.18Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 3.35Å
44E83.3Confident76.8Confident127 Ų12796.7 Ų96.759%0.59347%0.467SS*.Hα-helixtrans-58.8-41.1174.1-75.2174.6171.700111.7N40 Q42 I47 S48N40-E44 WeakPolarHBondContact O-CB 3.28Å; N40-E44 WeakPolarHBondContact O-CG 3.38Å; N40-E44 PolarHBondContact O-N 2.86Å; Q42-E44 VanDerWaalsContact C-N 3.34Å; E44-I47 PolarHBondContact O-N 2.98Å; E44-S48 WeakPolarHBondContact O-CB 3.4Å; E44-S48 PolarHBondContact O-N 3.32Å
45N77.9Confident75.9Confident91 Ų91100.9 Ų100.949%0.48749%0.488SS..Hα-helixtrans-66.2-38.7174.6-76.8-47.9000112.6Q41 Q42 L43 K49Q41-N45 VanDerWaalsContact O-CG 3.29Å; Q41-N45 PolarHBondContact O-N 3.45Å; Q41-N45 VanDerWaalsContact O-N 3.09Å; Q41-N45 PolarHBondContact O-ND2 3.41Å; Q42-N45 WeakPolarHBondContact O-CB 3.32Å; Q42-N45 PolarHBondContact O-N 3.36Å; L43-N45 VanDerWaalsContact C-N 3.29Å; L43-N45 PolarHBondContact O-N 3.49Å; N45-K49 WeakPolarHBondContact O-CG 3.08Å; N45-K49 PolarHBondContact O-N 2.96Å
46I77.6Confident75.1Confident88 Ų88105.3 Ų105.345%0.45151%0.51SS..Hα-helixtrans-65.4-49174.7-68.8165.9000109.7Q42 L43 S48 K49 L50Q42-I46 WeakPolarHBondContact O-CG1 3.33Å; Q42-I46 PolarHBondContact O-N 2.95Å; L43-I46 PolarHBondContact O-N 2.95Å; L43-I46 VanDerWaalsContact O-N 3.13Å; I46-S48 VanDerWaalsContact C-N 3.3Å; I46-S48 PolarHBondContact O-N 2.96Å; I46-K49 WeakPolarHBondContact O-CB 3.44Å; I46-K49 PolarHBondContact O-N 3.41Å; I46-K49 VanDerWaalsContact O-N 3.11Å; I46-L50 HydrophobicContact CG2-CD1 3.77Å; I46-L50 HydrophobicContact CG2-CG 4.24Å; I46-L50 WeakPolarHBondContact O-CG 3.5Å; I46-L50 PolarHBondContact O-N 2.95Å
47I81.7Confident74Confident80 Ų80108.6 Ų108.641%0.4153%0.532SS..Hα-helixtrans-58.4-43.6176.6-69.4167.3000110.4L43 E44 K49 L50 R51L43-I47 WeakPolarHBondContact O-CB 3.18Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 3.35Å; E44-I47 PolarHBondContact O-N 2.98Å; I47-K49 PolarHBondContact O-N 2.81Å; I47-L50 PolarHBondContact O-N 2.86Å; I47-R51 HydrophobicContact CG2-CG 4.33Å; I47-R51 WeakPolarHBondContact O-CB 3.45Å; I47-R51 VanDerWaalsContact O-CG 3.29Å; I47-R51 WeakPolarHBondContact O-CG 3.1Å; I47-R51 PolarHBondContact O-N 2.8Å
48S80.3Confident72.6Confident55 Ų55107.9 Ų107.939%0.38554%0.535SS..Hα-helixtrans-61-41.5175.7-179.50000112.2E44 I46 K52E44-S48 WeakPolarHBondContact O-CB 3.4Å; E44-S48 PolarHBondContact O-N 3.32Å; I46-S48 VanDerWaalsContact C-N 3.3Å; I46-S48 PolarHBondContact O-N 2.96Å; S48-K52 WeakPolarHBondContact O-CG 3.42Å; S48-K52 PolarHBondContact O-N 2.93Å
49K76.8Confident71.7Confident144 Ų144113.3 Ų113.363%0.62656%0.558SS**Hα-helixtrans-66.7-43.8174.5-75.4176.2-177.7-1800112.5N45 I46 I47 K52 Q53N45-K49 WeakPolarHBondContact O-CG 3.08Å; N45-K49 PolarHBondContact O-N 2.96Å; I46-K49 WeakPolarHBondContact O-CB 3.44Å; I46-K49 PolarHBondContact O-N 3.41Å; I46-K49 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 2.81Å; K49-K52 PolarHBondContact O-N 3.24Å; K49-Q53 WeakPolarHBondContact O-CG 3.28Å; K49-Q53 PolarHBondContact O-N 2.86Å
50L77.8Confident70.7Confident94 Ų94116.8 Ų116.849%0.49259%0.586SS.*Hα-helixtrans-63.9-42.9178.2-69.3172.1000111I46 I47 K52 Q53 E54I46-L50 HydrophobicContact CG2-CD1 3.77Å; I46-L50 HydrophobicContact CG2-CG 4.24Å; I46-L50 WeakPolarHBondContact O-CG 3.5Å; I46-L50 PolarHBondContact O-N 2.95Å; I47-L50 PolarHBondContact O-N 2.86Å; L50-K52 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 3.07Å; L50-Q53 WeakPolarHBondContact O-CB 3.4Å; L50-Q53 PolarHBondContact O-N 3.08Å; L50-Q53 VanDerWaalsContact O-N 3.15Å; L50-E54 PolarHBondContact O-N 3.08Å
51R79.5Confident69.9Low172 Ų172118.6 Ų118.665%0.64960%0.601SS**Hα-helixtrans-63.4-34.2173.7-74.2178.7179.8-175.91.2113.2I47I47-R51 HydrophobicContact CG2-CG 4.33Å; I47-R51 WeakPolarHBondContact O-CB 3.45Å; I47-R51 VanDerWaalsContact O-CG 3.29Å; I47-R51 WeakPolarHBondContact O-CG 3.1Å; I47-R51 PolarHBondContact O-N 2.8Å
52K71.9Confident69.8Low144 Ų144122.5 Ų122.563%0.62662%0.615SS**Hα-helixtrans-69-39172.2-77.2-178.2-178.9-173.70111.7S48 K49 L50 E54 N55S48-K52 WeakPolarHBondContact O-CG 3.42Å; S48-K52 PolarHBondContact O-N 2.93Å; K49-K52 PolarHBondContact O-N 3.24Å; L50-K52 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 3.07Å; K52-E54 VanDerWaalsContact C-N 3.32Å; K52-E54 PolarHBondContact O-N 3.33Å; K52-N55 PolarHBondContact O-N 3.04Å
53Q61.2Low70.3Confident131 Ų131125 Ų12561%0.61264%0.637SS**Hα-helixtrans-66.8-29177.6-77179.1-27.900113.2K49 L50 N55 D56K49-Q53 WeakPolarHBondContact O-CG 3.28Å; K49-Q53 PolarHBondContact O-N 2.86Å; L50-Q53 WeakPolarHBondContact O-CB 3.4Å; L50-Q53 PolarHBondContact O-N 3.08Å; L50-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N55 PolarHBondContact O-N 2.48Å; Q53-D56 PolarHBondContact O-N 2.89Å; Q53-D56 VanDerWaalsContact O-O 3.11Å
54E60.4Low70.8Confident163 Ų163125.3 Ų125.376%0.76264%0.636SS**THydrogen-bonded Turntrans-62.5-24.9172.9-78.9179.7155.600113.3L50 K52L50-E54 PolarHBondContact O-N 3.08Å; K52-E54 VanDerWaalsContact C-N 3.32Å; K52-E54 PolarHBondContact O-N 3.33Å
55N59Low71.1Confident146 Ų146123 Ų12378%0.78163%0.627SS**THydrogen-bonded Turntrans-93.2-12178.7-70.5-37.4000113.9K52 Q53K52-N55 PolarHBondContact O-N 3.04Å; Q53-N55 PolarHBondContact O-N 2.48Å
56D58.3Low71.8Confident121 Ų121120.2 Ų120.265%0.64761%0.61SS**SBendtrans-101.3119.5177.7-90-29.8000109.8Q53 P58Q53-D56 PolarHBondContact O-N 2.89Å; Q53-D56 VanDerWaalsContact O-O 3.11Å; D56-P58 WeakPolarHBondContact O-CD 2.99Å; D56-P58 VanDerWaalsContact O-N 3.1Å
57V57.3Low72.5Confident135 Ų135120.3 Ų120.382%0.81861%0.612SS**PPolyproline II helixtrans-55.8118.4170-179.10000108.2K59V57-K59 PolarHBondContact O-N 2.69Å
58P53.6Low73Confident106 Ų106122 Ų12269%0.68861%0.613SS**PPolyproline II helixtrans-65.4116.3-174.522.9-30.3000109.4D56 V60D56-P58 WeakPolarHBondContact O-CD 2.99Å; D56-P58 VanDerWaalsContact O-N 3.1Å; P58-V60 PolarHBondContact O-N 2.88Å
59K56.6Low73.7Confident196 Ų196121.9 Ų121.985%0.85261%0.605SS**  trans-61.6104.1164.1-80.1-176.9178.6177.30107.4V57 T61V57-K59 PolarHBondContact O-N 2.69Å; K59-T61 PolarHBondContact O-N 3.19Å
60V55Low74.6Confident141 Ų141116.3 Ų116.386%0.85558%0.58SS**  trans-62.797.8175-177.40000108P58P58-V60 PolarHBondContact O-N 2.88Å
61T65.7Low75.4Confident121 Ų121115.7 Ų115.774%0.74257%0.574SS**PPolyproline II helixtrans-83.9132.2170.436.70000107.6K59K59-T61 PolarHBondContact O-N 3.19Å
62K78.1Confident76.2Confident200 Ų200108.3 Ų108.387%0.8755%0.546SS*.PPolyproline II helixtrans-56.5135.7176.1-71-177.3179.11800109
63P84.4Confident77.4Confident112 Ų112101.7 Ų101.773%0.72752%0.517SS*.PPolyproline II helixtrans-60.4142.2179.425.3-33.3000110.2
64F90.1Very high79.2Confident64 Ų6495.5 Ų95.528%0.28149%0.488SS..PPolyproline II helixtrans-74.3126.5174.8-175.9-91.8000109.2F66 Y69 K110F64-F66 HydrophobicContact CD1-CD1 4.15Å; F64-F66 AromaticContact CD1-CD2 3.72Å; F64-F66 HydrophobicContact CD1-CD2 3.72Å; F64-F66 HydrophobicContact CD1-CE1 4.14Å; F64-F66 AromaticContact CD1-CE2 3.7Å; F64-F66 HydrophobicContact CD1-CE2 3.7Å; F64-F66 AromaticContact CD1-CG 3.94Å; F64-F66 HydrophobicContact CD1-CG 3.94Å; F64-F66 AromaticContact CD1-CZ 3.92Å; F64-F66 HydrophobicContact CD1-CZ 3.92Å; F64-F66 AromaticContact CE1-CD1 3.85Å; F64-F66 HydrophobicContact CE1-CD1 3.85Å; F64-F66 HydrophobicContact CE1-CD2 4.22Å; F64-F66 HydrophobicContact CE1-CE1 4.02Å; F64-F66 HydrophobicContact CE1-CE2 4.36Å; F64-F66 AromaticContact CE1-CG 3.96Å; F64-F66 HydrophobicContact CE1-CG 3.96Å; F64-F66 HydrophobicContact CE1-CZ 4.27Å; F64-Y69 HydrophobicContact CE1-CD2 4.03Å; F64-Y69 HydrophobicContact CE1-CE2 4.09Å; F64-Y69 AromaticContact CE2-CE2 3.79Å; F64-Y69 HydrophobicContact CE2-CE2 3.79Å; F64-Y69 AromaticContact CZ-CD2 3.55Å; F64-Y69 HydrophobicContact CZ-CD2 3.55Å; F64-Y69 AromaticContact CZ-CE2 3.23Å; F64-Y69 HydrophobicContact CZ-CE2 3.23Å; F64-Y69 HydrophobicContact CZ-CG 4.38Å; F64-Y69 AromaticContact CZ-CZ 3.83Å; F64-K110 HydrophobicContact CB-CD 3.99Å; F64-K110 HydrophobicContact CB-CG 4.11Å; F64-K110 HydrophobicContact CD1-CB 3.91Å; F64-K110 HydrophobicContact CD1-CG 4.32Å; F64-K110 HydrophobicContact CD2-CB 4.2Å; F64-K110 HydrophobicContact CD2-CG 4.18Å; F64-K110 HydrophobicContact CE1-CB 4.15Å; F64-K110 HydrophobicContact CE2-CB 4.43Å; F64-K110 HydrophobicContact CG-CB 3.95Å; F64-K110 HydrophobicContact CG-CD 4.23Å; F64-K110 HydrophobicContact CG-CG 3.92Å; F64-K110 HydrophobicContact CZ-CB 4.43Å
65I90.9Very high81Confident78 Ų7887.7 Ų87.740%0.445%0.452SS..  trans-96.4101.8-177.2-54.6173.1000108.4D67 R68I65-D67 VanDerWaalsContact C-N 3.33Å; I65-D67 HydrophobicContact CG2-CB 4.37Å; I65-D67 PolarHBondContact O-N 2.74Å; I65-R68 HydrophobicContact CB-CG 4.38Å; I65-R68 HydrophobicContact CG2-CG 4Å
66F92.5Very high82.9Confident33 Ų3380.8 Ų80.815%0.14542%0.415CS..G310 helixtrans-65.6-33.1-179.1-80.1-88.1000113F64 R68 Y69 K110 I112 E113F64-F66 HydrophobicContact CD1-CD1 4.15Å; F64-F66 AromaticContact CD1-CD2 3.72Å; F64-F66 HydrophobicContact CD1-CD2 3.72Å; F64-F66 HydrophobicContact CD1-CE1 4.14Å; F64-F66 AromaticContact CD1-CE2 3.7Å; F64-F66 HydrophobicContact CD1-CE2 3.7Å; F64-F66 AromaticContact CD1-CG 3.94Å; F64-F66 HydrophobicContact CD1-CG 3.94Å; F64-F66 AromaticContact CD1-CZ 3.92Å; F64-F66 HydrophobicContact CD1-CZ 3.92Å; F64-F66 AromaticContact CE1-CD1 3.85Å; F64-F66 HydrophobicContact CE1-CD1 3.85Å; F64-F66 HydrophobicContact CE1-CD2 4.22Å; F64-F66 HydrophobicContact CE1-CE1 4.02Å; F64-F66 HydrophobicContact CE1-CE2 4.36Å; F64-F66 AromaticContact CE1-CG 3.96Å; F64-F66 HydrophobicContact CE1-CG 3.96Å; F64-F66 HydrophobicContact CE1-CZ 4.27Å; F66-R68 PolarHBondContact O-N 3.14Å; F66-Y69 PolarHBondContact O-N 3.13Å; F66-K110 VanDerWaalsContact CE1-O 3.29Å; F66-K110 WeakPolarHBondContact CE1-O 3.46Å; F66-K110 HydrophobicContact CZ-CB 4.21Å; F66-I112 WeakPolarHBondContact CZ-O 3.11Å; F66-E113 HydrophobicContact CD1-CB 4.45Å; F66-E113 HydrophobicContact CD2-CB 4Å; F66-E113 HydrophobicContact CD2-CG 4.1Å; F66-E113 HydrophobicContact CE1-CB 4.3Å; F66-E113 HydrophobicContact CE2-CB 3.84Å; F66-E113 HydrophobicContact CE2-CG 4.08Å; F66-E113 HydrophobicContact CG-CB 4.31Å; F66-E113 HydrophobicContact CZ-CB 4Å
67D92Very high84.8Confident90 Ų9077 Ų7748%0.48139%0.393SS..G310 helixtrans-61.7-14.5-177.8-65-18.7000114.9I65 Y69 G156 P157 C158I65-D67 VanDerWaalsContact C-N 3.33Å; I65-D67 HydrophobicContact CG2-CB 4.37Å; I65-D67 PolarHBondContact O-N 2.74Å; D67-Y69 PolarHBondContact O-N 2.74Å; D67-G156 CarbonylContact O-C 3.59Å; D67-G156 WeakPolarHBondContact O-CA 3.48Å; D67-P157 HydrophobicContact CB-CG 4.27Å; D67-C158 WeakPolarHBondContact O-CB 3.11Å; D67-C158 PolarHBondContact O-N 2.8Å
68R92.1Very high86.8Confident115 Ų11570.6 Ų70.643%0.43435%0.354SS..G310 helixtrans-79.7-4.3173.6-67.7-177.7175.7-170-3.2113.5I65 F66 C158 R162I65-R68 HydrophobicContact CB-CG 4.38Å; I65-R68 HydrophobicContact CG2-CG 4Å; F66-R68 PolarHBondContact O-N 3.14Å; R68-C158 HydrophobicContact CG-CB 4.03Å; R68-R162 HydrophobicContact CB-CG 4.49Å; R68-R162 WeakPolarHBondContact O-CD 3.41Å
69Y94.6Very high88.9Confident53 Ų5366.2 Ų66.221%0.20833%0.326CS..SBendtrans-128.9143.6-174.3-62.1-92.7000110F64 F66 D67 R142 L144 G156 R162F64-Y69 HydrophobicContact CE1-CD2 4.03Å; F64-Y69 HydrophobicContact CE1-CE2 4.09Å; F64-Y69 AromaticContact CE2-CE2 3.79Å; F64-Y69 HydrophobicContact CE2-CE2 3.79Å; F64-Y69 AromaticContact CZ-CD2 3.55Å; F64-Y69 HydrophobicContact CZ-CD2 3.55Å; F64-Y69 AromaticContact CZ-CE2 3.23Å; F64-Y69 HydrophobicContact CZ-CE2 3.23Å; F64-Y69 HydrophobicContact CZ-CG 4.38Å; F64-Y69 AromaticContact CZ-CZ 3.83Å; F66-Y69 PolarHBondContact O-N 3.13Å; D67-Y69 PolarHBondContact O-N 2.74Å; Y69-R142 HydrophobicContact CD1-CG 4.29Å; Y69-R142 HydrophobicContact CG-CG 3.91Å; Y69-L144 HydrophobicContact CD1-CD2 3.79Å; Y69-L144 HydrophobicContact CE1-CD2 3.59Å; Y69-G156 WeakPolarHBondContact O-CA 3.34Å; Y69-R162 VanDerWaalsContact CD1-NH1 3.27Å; Y69-R162 VanDerWaalsContact CE1-NH1 3.29Å
70K95.5Very high90.9Very high27 Ų2757 Ų5712%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-66.5160.8169-71-52.3-168.9-174.50110.4R142 S143 I145 V151 E153 S155 I159K70-R142 CarbonylContact O-C 3.51Å; K70-S143 PolarHBondContact O-N 3.03Å; K70-I145 WeakPolarHBondContact CG-O 3.49Å; K70-V151 HydrophobicContact CB-CG1 3.9Å; K70-V151 HydrophobicContact CD-CG1 4.48Å; K70-V151 HydrophobicContact CG-CG1 3.87Å; K70-E153 PolarHBondContact NZ-O 2.95Å; K70-S155 WeakPolarHBondContact CD-O 3.45Å; K70-S155 WeakPolarHBondContact CE-O 3.46Å; K70-S155 PolarHBondContact NZ-O 3.27Å; K70-I159 HydrophobicContact CD-CD1 4.44Å; K70-I159 HydrophobicContact CD-CG2 4.44Å; K70-I159 HydrophobicContact CG-CD1 3.72Å
71K95.7Very high93Very high82 Ų8252.1 Ų52.136%0.35725%0.254SS..EExtended strand (participates in β ladder)trans-100.6150.8162.8-64.6-178.6-179.2-179.20108.9V140 S141 I152 S155K71-V140 HydrophobicContact CB-CG1 3.74Å; K71-V140 HydrophobicContact CD-CG1 4.19Å; K71-V140 HydrophobicContact CG-CG1 4.36Å; K71-S141 CarbonylContact C-O 3.06Å; K71-S141 WeakPolarHBondContact CA-O 3.33Å; K71-I152 HydrophobicContact CB-CB 4.37Å; K71-I152 HydrophobicContact CB-CD1 4.02Å; K71-I152 PolarHBondContact O-N 3.07Å; K71-S155 PolarHBondContact N-OG 3.21Å
72R96Very high94.4Very high16 Ų1646.4 Ų46.46%0.0622%0.22CC..EExtended strand (participates in β ladder)trans-144.8134.7-178.6-175.1178.5-162.4168.17.3110.7I74 V140 S141 V149 G150 V151 E169 P191R72-I74 HydrophobicContact CB-CG2 4.39Å; R72-I74 HydrophobicContact CG-CG2 3.93Å; R72-I74 PolarHBondContact O-N 2.81Å; R72-V140 WeakPolarHBondContact O-CA 3.21Å; R72-S141 PolarHBondContact N-O 3.32Å; R72-S141 PolarHBondContact O-N 3.37Å; R72-V149 VanDerWaalsContact CZ-O 3.27Å; R72-V149 PolarHBondContact NE-O 2.96Å; R72-V149 PolarHBondContact NH2-O 3.46Å; R72-G150 CarbonylContact C-O 3.55Å; R72-G150 VanDerWaalsContact CA-O 3.22Å; R72-G150 WeakPolarHBondContact CA-O 3.04Å; R72-V151 HydrophobicContact CB-CG2 4.38Å; R72-V151 HydrophobicContact CG-CG2 4.07Å; R72-E169 IonicContact NH1-OE2 3.93Å; R72-E169 PolarHBondContact NH1-OE2 3.48Å; R72-P191 VanDerWaalsContact CZ-CB 3.48Å
73H97.4Very high95.2Very high6 Ų642.1 Ų42.13%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-75.6120.3168.6-159.6172.3000109.1S138 L139 G150 V192 S193 P194 F196H73-S138 VanDerWaalsContact NE2-CB 3.31Å; H73-S138 WeakPolarHBondContact NE2-CB 3.3Å; H73-S138 PolarHBondContact NE2-OG 2.98Å; H73-S138 VanDerWaalsContact NE2-OG 3.13Å; H73-L139 PolarHBondContact CD2-O 3.26Å; H73-G150 PolarHBondContact N-O 3.13Å; H73-V192 HydrophobicContact CB-CG2 4.05Å; H73-V192 WeakPolarHBondContact O-CG2 3.38Å; H73-V192 PolarHBondContact O-N 3Å; H73-S193 PolarHBondContact ND1-O 3.38Å; H73-P194 PolarHBondContact ND1-O 3.17Å; H73-F196 PolarHBondContact CE1-O 2.85Å
74I98Very high95.7Very high0 Ų042.1 Ų42.10%019%0.192CC..EExtended strand (participates in β ladder)trans-125.8152.8178.264.4172000110.6R72 L76 S138 L139 Y172 W189 S190R72-I74 HydrophobicContact CB-CG2 4.39Å; R72-I74 HydrophobicContact CG-CG2 3.93Å; R72-I74 PolarHBondContact O-N 2.81Å; I74-L76 HydrophobicContact CD1-CD2 3.98Å; I74-L76 HydrophobicContact CD1-CG 4.38Å; I74-S138 CarbonylContact O-C 3.53Å; I74-S138 VanDerWaalsContact O-CA 3.23Å; I74-S138 WeakPolarHBondContact O-CA 3.49Å; I74-L139 PolarHBondContact N-O 3Å; I74-L139 PolarHBondContact O-N 3.49Å; I74-Y172 HydrophobicContact CD1-CD1 3.98Å; I74-Y172 HydrophobicContact CD1-CE1 3.92Å; I74-Y172 HydrophobicContact CD1-CE2 4.42Å; I74-Y172 HydrophobicContact CD1-CG 4.3Å; I74-Y172 HydrophobicContact CG2-CE2 4.44Å; I74-W189 HydrophobicContact CB-CE3 4.3Å; I74-W189 HydrophobicContact CG2-CE3 3.95Å; I74-W189 HydrophobicContact CG2-CZ3 3.98Å; I74-S190 CarbonylContact C-O 3.46Å; I74-S190 VanDerWaalsContact CA-O 3.31Å; I74-S190 WeakPolarHBondContact CA-O 3.46Å
75A98.4Very high95.9Very high0 Ų039.4 Ų39.40%018%0.18CC..EExtended strand (participates in β ladder)trans-101.9144162.600000110.5V136 I137 W189 S190 V192 F196 L340 W342A75-V136 HydrophobicContact CB-CG1 4.32Å; A75-I137 CarbonylContact C-O 3.47Å; A75-I137 VanDerWaalsContact CA-O 3.24Å; A75-I137 WeakPolarHBondContact CA-O 3.45Å; A75-W189 CarbonylContact O-C 3.59Å; A75-W189 WeakPolarHBondContact O-CA 3.46Å; A75-S190 PolarHBondContact N-O 2.98Å; A75-S190 PolarHBondContact O-N 3.27Å; A75-V192 HydrophobicContact CB-CG1 3.68Å; A75-F196 HydrophobicContact CB-CE1 4.1Å; A75-L340 HydrophobicContact CB-CD2 3.63Å; A75-W342 HydrophobicContact CB-CH2 4.22Å; A75-W342 HydrophobicContact CB-CZ3 4.31Å
76L98.6Very high96Very high0 Ų036.7 Ų36.70%017%0.168CC..EExtended strand (participates in β ladder)trans-118.7131173.7-61.1177.7000109.4I74 L78 V136 I137 L139 L176 V186 W189I74-L76 HydrophobicContact CD1-CD2 3.98Å; I74-L76 HydrophobicContact CD1-CG 4.38Å; L76-L78 HydrophobicContact CB-CD2 4.05Å; L76-V136 WeakPolarHBondContact O-CA 3.29Å; L76-I137 HydrophobicContact CB-CG1 3.9Å; L76-I137 HydrophobicContact CD1-CD1 4.25Å; L76-I137 HydrophobicContact CD1-CG1 4.46Å; L76-I137 PolarHBondContact N-O 3.08Å; L76-I137 PolarHBondContact O-N 3.24Å; L76-I137 VanDerWaalsContact O-N 3.09Å; L76-L139 HydrophobicContact CD1-CD2 4.18Å; L76-L176 HydrophobicContact CD1-CD1 3.75Å; L76-L176 HydrophobicContact CD2-CD1 4.27Å; L76-V186 HydrophobicContact CD2-CG1 4.14Å; L76-W189 HydrophobicContact CD2-CB 3.68Å
77K98.5Very high96Very high43 Ų4335.2 Ų35.219%0.18716%0.162CC..EExtended strand (participates in β ladder)trans-91.3122169.8-172.6-178.9-64.7171.20108.5C134 Q135 V186 L187 A188 W342K77-C134 HydrophobicContact CD-CB 4.22Å; K77-C134 HydrophobicContact CG-CB 4.14Å; K77-Q135 CarbonylContact C-O 3.52Å; K77-Q135 WeakPolarHBondContact CA-O 3.21Å; K77-V186 CarbonylContact O-C 3.5Å; K77-V186 WeakPolarHBondContact O-CA 3.44Å; K77-L187 HydrophobicContact CB-CB 4.35Å; K77-L187 HydrophobicContact CD-CB 4.2Å; K77-L187 HydrophobicContact CD-CD1 4.27Å; K77-L187 HydrophobicContact CG-CB 4.17Å; K77-L187 HydrophobicContact CG-CD1 4.27Å; K77-L187 PolarHBondContact O-N 2.66Å; K77-A188 HydrophobicContact CB-CB 4.17Å; K77-A188 PolarHBondContact N-O 3.15Å; K77-W342 HydrophobicContact CB-CD2 4.49Å; K77-W342 HydrophobicContact CB-CE3 3.99Å; K77-W342 HydrophobicContact CB-CH2 3.73Å; K77-W342 HydrophobicContact CB-CZ2 4.21Å; K77-W342 HydrophobicContact CB-CZ3 3.61Å; K77-W342 VanDerWaalsContact CE-CD2 3.43Å; K77-W342 VanDerWaalsContact NZ-CG 3.31Å
78L98.5Very high96.2Very high0 Ų031 Ų310%014%0.139CC..EExtended strand (participates in β ladder)trans-119.2143-172-51.9173.8000111L76 I102 M133 C134 Q135 I137 R185 V186L76-L78 HydrophobicContact CB-CD2 4.05Å; L78-I102 HydrophobicContact CD1-CD1 3.45Å; L78-I102 VanDerWaalsContact CD1-CD1 3.45Å; L78-I102 HydrophobicContact CD2-CD1 4.32Å; L78-I102 HydrophobicContact CG-CD1 4.48Å; L78-M133 CarbonylContact C-O 3.57Å; L78-M133 CarbonylContact O-C 3.53Å; L78-M133 VanDerWaalsContact O-C 3.31Å; L78-C134 CarbonylContact O-C 3.41Å; L78-Q135 HydrophobicContact CB-CB 4.22Å; L78-Q135 PolarHBondContact N-O 2.96Å; L78-Q135 PolarHBondContact O-N 2.97Å; L78-I137 HydrophobicContact CD1-CB 4.45Å; L78-I137 HydrophobicContact CD1-CD1 3.9Å; L78-I137 HydrophobicContact CD1-CG1 3.9Å; L78-I137 HydrophobicContact CD1-CG2 3.75Å; L78-I137 HydrophobicContact CG-CG1 4.43Å; L78-R185 CarbonylContact C-O 3.56Å; L78-R185 WeakPolarHBondContact CA-O 3.23Å; L78-V186 HydrophobicContact CD2-CB 4.45Å; L78-V186 HydrophobicContact CD2-CG2 3.81Å
79S98.5Very high96.2Very high14 Ų1426.2 Ų26.210%0.09812%0.123CC..EExtended strand (participates in β ladder)trans-121.6141.3164176.50000109.5G132 M133 I184 R185 Y356S79-G132 CarbonylContact C-O 3.54Å; S79-G132 WeakPolarHBondContact CA-O 3.43Å; S79-G132 PolarHBondContact OG-O 3.27Å; S79-M133 WeakPolarHBondContact CA-O 3.39Å; S79-M133 VanDerWaalsContact CB-O 3.24Å; S79-M133 WeakPolarHBondContact CB-O 3.37Å; S79-I184 CarbonylContact O-C 3.59Å; S79-R185 PolarHBondContact N-O 3.26Å; S79-R185 PolarHBondContact O-N 3.08Å; S79-Y356 WeakPolarHBondContact CB-OH 3.42Å; S79-Y356 PolarHBondContact OG-OH 2.92Å
80Y98.6Very high95.7Very high3 Ų326.3 Ų26.31%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-154.3146.2177.453.4-91.7000113.3L88 V98 T126 V130 S131 G132 Q135 D183Y80-L88 HydrophobicContact CE1-CD1 4.03Å; Y80-V98 HydrophobicContact CD1-CG1 3.83Å; Y80-V98 HydrophobicContact CD2-CG1 4.39Å; Y80-V98 HydrophobicContact CD2-CG2 3.75Å; Y80-V98 HydrophobicContact CE1-CG1 4.3Å; Y80-V98 HydrophobicContact CE2-CG2 4.14Å; Y80-V98 HydrophobicContact CG-CG1 3.88Å; Y80-V98 HydrophobicContact CG-CG2 4.03Å; Y80-T126 WeakPolarHBondContact OH-CG2 3.36Å; Y80-T126 PolarHBondContact OH-OG1 2.78Å; Y80-V130 WeakPolarHBondContact CE2-O 3.09Å; Y80-S131 WeakPolarHBondContact O-CA 3.39Å; Y80-S131 WeakPolarHBondContact O-CB 3.45Å; Y80-G132 PolarHBondContact N-O 3.43Å; Y80-G132 PolarHBondContact O-N 3.27Å; Y80-Q135 HydrophobicContact CE1-CB 3.62Å; Y80-Q135 HydrophobicContact CE1-CG 3.87Å; Y80-Q135 PolarHBondContact OH-NE2 3.32Å; Y80-D183 CarbonylContact C-O 3.57Å; Y80-D183 WeakPolarHBondContact CA-O 3.36Å; Y80-D183 WeakPolarHBondContact CB-O 3.4Å
81L98Very high94.4Very high37 Ų3729.5 Ų29.519%0.19415%0.146CC..  trans-88.1111.1165-61.6-179.6000109.1W83 Y85 D183 L359 Y363L81-W83 VanDerWaalsContact C-N 3.27Å; L81-W83 HydrophobicContact CB-CE3 4.48Å; L81-W83 HydrophobicContact CD1-CE3 4.39Å; L81-W83 HydrophobicContact CD1-CH2 4.42Å; L81-W83 HydrophobicContact CD1-CZ3 4.05Å; L81-W83 HydrophobicContact CD2-CH2 4.24Å; L81-W83 HydrophobicContact CD2-CZ2 4.28Å; L81-W83 PolarHBondContact O-N 3.26Å; L81-Y85 WeakPolarHBondContact O-CD2 3.27Å; L81-D183 HydrophobicContact CB-CB 4.14Å; L81-D183 PolarHBondContact N-O 3.44Å; L81-L359 HydrophobicContact CD1-CD2 3.9Å; L81-Y363 HydrophobicContact CD1-CE2 3.92Å
82G96.6Very high92.8Very high2 Ų229.7 Ų29.72%0.02117%0.171CC..G310 helixtrans-76.2-8.3-171.100000115.6N84 Y85 G129 V130 S131G82-N84 PolarHBondContact O-N 2.85Å; G82-N84 VanDerWaalsContact O-N 3.12Å; G82-Y85 PolarHBondContact O-N 2.98Å; G82-G129 CarbonylContact C-O 3.56Å; G82-G129 VanDerWaalsContact O-CA 3.32Å; G82-G129 WeakPolarHBondContact O-CA 3.42Å; G82-G129 PolarHBondContact O-N 2.92Å; G82-V130 WeakPolarHBondContact CA-O 3.45Å; G82-S131 PolarHBondContact N-OG 3.49Å
83W95Very high91Very high109 Ų10931.4 Ų31.441%0.41319%0.185SC..G310 helixtrans-60-30.1-166.8-51.4-32.9000114.4L81 G129 F326 Y363L81-W83 VanDerWaalsContact C-N 3.27Å; L81-W83 HydrophobicContact CB-CE3 4.48Å; L81-W83 HydrophobicContact CD1-CE3 4.39Å; L81-W83 HydrophobicContact CD1-CH2 4.42Å; L81-W83 HydrophobicContact CD1-CZ3 4.05Å; L81-W83 HydrophobicContact CD2-CH2 4.24Å; L81-W83 HydrophobicContact CD2-CZ2 4.28Å; L81-W83 PolarHBondContact O-N 3.26Å; W83-G129 VanDerWaalsContact CD1-O 3.25Å; W83-F326 PolarHBondContact NE1-O 2.82Å; W83-F326 VanDerWaalsContact NE1-O 3.08Å; W83-Y363 HydrophobicContact CH2-CE1 4.35Å; W83-Y363 AromaticContact CZ3-CE1 3.64Å; W83-Y363 HydrophobicContact CZ3-CE1 3.64Å; W83-Y363 HydrophobicContact CZ3-CE2 4.26Å; W83-Y363 AromaticContact CZ3-CZ 3.52Å; W83-Y363 WeakPolarHBondContact CZ3-OH 3.23Å
84N93.4Very high89.3Confident112 Ų11235.2 Ų35.260%0.59921%0.205SC*.G310 helixtrans-95.81.1179.7-64.2-39.9000113.7G82G82-N84 PolarHBondContact O-N 2.85Å; G82-N84 VanDerWaalsContact O-N 3.12Å
85Y94.6Very high88.2Confident7 Ų735.5 Ų35.53%0.02721%0.207CC..SBendtrans-117.1146.3-169.9-62.3-77.3000112L81 G82 G87 L96 V98 R101 G129 P181 D183 I184L81-Y85 WeakPolarHBondContact O-CD2 3.27Å; G82-Y85 PolarHBondContact O-N 2.98Å; Y85-G87 PolarHBondContact O-N 2.86Å; Y85-G87 VanDerWaalsContact O-N 3.11Å; Y85-L96 HydrophobicContact CD1-CD2 4.24Å; Y85-L96 HydrophobicContact CD1-CG 4.21Å; Y85-L96 HydrophobicContact CE1-CD2 3.87Å; Y85-L96 HydrophobicContact CE1-CG 4.19Å; Y85-V98 HydrophobicContact CD1-CG2 4.24Å; Y85-V98 HydrophobicContact CD2-CG2 3.9Å; Y85-V98 HydrophobicContact CG-CG2 3.73Å; Y85-R101 HydrophobicContact CE1-CG 3.79Å; Y85-G129 PolarHBondContact O-N 3.28Å; Y85-P181 WeakPolarHBondContact OH-CG 3.4Å; Y85-D183 HydrophobicContact CE2-CB 4.33Å; Y85-D183 VanDerWaalsContact CE2-CG 3.47Å; Y85-D183 VanDerWaalsContact CE2-OD2 3.22Å; Y85-D183 WeakPolarHBondContact CE2-OD2 3.27Å; Y85-D183 PolarHBondContact OH-OD1 3.23Å; Y85-D183 PolarHBondContact OH-OD2 3.03Å; Y85-I184 HydrophobicContact CE1-CD1 3.98Å; Y85-I184 HydrophobicContact CE2-CD1 4.11Å; Y85-I184 HydrophobicContact CE2-CG1 4.13Å; Y85-I184 WeakPolarHBondContact OH-CD1 3.44Å
86C93.2Very high87.8Confident21 Ų2137.1 Ų37.114%0.14222%0.216CC..SBendtrans-87.745.5175.9-65.20000111.8A95 L96C86-A95 HydrophobicContact CB-CB 3.67Å; C86-A95 WeakPolarHBondContact SG-CB 3.48Å; C86-L96 PolarHBondContact N-O 3.13Å
87G93.7Very high87.6Confident3 Ų337.1 Ų37.13%0.03122%0.216CC..  trans96.7-178-179.900000113.5Y85 T97 V98 T126 D127Y85-G87 PolarHBondContact O-N 2.86Å; Y85-G87 VanDerWaalsContact O-N 3.11Å; G87-T97 WeakPolarHBondContact O-CA 3.23Å; G87-T97 WeakPolarHBondContact O-CB 3.28Å; G87-V98 PolarHBondContact O-N 2.99Å; G87-V98 VanDerWaalsContact O-N 3.13Å; G87-T126 VanDerWaalsContact CA-O 3.3Å; G87-T126 WeakPolarHBondContact CA-O 3.49Å; G87-D127 WeakPolarHBondContact CA-O 3.38Å
88L95Very high87.6Confident0 Ų035.1 Ų35.10%021%0.207CC..SBendtrans-72.4-52-179.9179.161.8000112.1Y80 V98 M99 V122 G124 T126 Q135Y80-L88 HydrophobicContact CE1-CD1 4.03Å; L88-V98 HydrophobicContact CD1-CB 3.96Å; L88-V98 HydrophobicContact CD1-CG1 3.92Å; L88-M99 HydrophobicContact CD1-CG 4.09Å; L88-M99 HydrophobicContact CD1-SD 4.48Å; L88-M99 HydrophobicContact CG-CG 4.2Å; L88-M99 WeakPolarHBondContact O-CB 3.31Å; L88-M99 WeakPolarHBondContact O-CG 3.37Å; L88-M99 PolarHBondContact O-N 2.96Å; L88-V122 HydrophobicContact CD2-CB 4.13Å; L88-V122 HydrophobicContact CD2-CG1 4.32Å; L88-V122 HydrophobicContact CD2-CG2 4.45Å; L88-G124 WeakPolarHBondContact CD2-O 3.45Å; L88-T126 PolarHBondContact N-O 3.39Å; L88-Q135 HydrophobicContact CD1-CG 4.42Å; L88-Q135 HydrophobicContact CD2-CG 3.98Å
89V91.4Very high87.4Confident16 Ų1635.1 Ų35.110%0.09721%0.207CC..SBendtrans-112141.9-169.6-177.30000110.2Q91 M99 V122 R125V89-Q91 PolarHBondContact O-N 3.36Å; V89-M99 HydrophobicContact CG2-CG 4.31Å; V89-V122 HydrophobicContact CG2-CG1 4.02Å; V89-V122 HydrophobicContact CG2-CG2 4Å; V89-R125 HydrophobicContact CG2-CG 4.18Å
90P84.1Confident87.2Confident54 Ų5436.1 Ų36.135%0.35121%0.211SC..  trans-55.3133.9173.2-2634.9000112.6T97 D100P90-T97 WeakPolarHBondContact CD-OG1 3.34Å; P90-T97 HydrophobicContact CG-CG2 4.38Å; P90-D100 WeakPolarHBondContact CG-OD1 3.47Å
91Q69.8Low87.1Confident95 Ų9540.2 Ų40.244%0.44423%0.227SC..  trans-118.632.9179.9-60.7-173.39.600112.7V89 C93V89-Q91 PolarHBondContact O-N 3.36Å; Q91-C93 PolarHBondContact O-N 3.03Å
92G61Low87.1Confident86 Ų8638.6 Ų38.689%0.88722%0.218SC*.SBendtrans741-177.500000114.4
93C57.7Low87Confident52 Ų5238.9 Ų38.935%0.35122%0.219SC..SBendtrans-86.1145.8165.562.90000109.9Q91 A95Q91-C93 PolarHBondContact O-N 3.03Å; C93-A95 PolarHBondContact O-N 3.43Å
94L62.7Low87Confident85 Ų8535.7 Ų35.745%0.44521%0.21SC..SBendtrans-75.513.2177-67.5158.2000112.6Y39 Q42Y39-L94 HydrophobicContact CD1-CD1 3.8Å; Y39-L94 HydrophobicContact CD2-CB 3.47Å; Y39-L94 VanDerWaalsContact CD2-CB 3.47Å; Y39-L94 HydrophobicContact CD2-CD1 3.84Å; Y39-L94 HydrophobicContact CD2-CD2 4.14Å; Y39-L94 HydrophobicContact CD2-CG 4.01Å; Y39-L94 HydrophobicContact CE1-CD1 3.69Å; Y39-L94 HydrophobicContact CE2-CB 3.91Å; Y39-L94 HydrophobicContact CE2-CD1 3.77Å; Y39-L94 HydrophobicContact CE2-CD2 3.63Å; Y39-L94 HydrophobicContact CE2-CG 3.96Å; Y39-L94 HydrophobicContact CG-CB 3.9Å; Y39-L94 HydrophobicContact CG-CD1 3.83Å; Y39-L94 HydrophobicContact CG-CG 4.41Å; Q42-L94 PolarHBondContact OE1-O 3.29Å
95A75.4Confident87.2Confident7 Ų730.3 Ų30.36%0.05818%0.181CC..SBendtrans-88.5138.1-176.800000110.2C86 C93 T97C86-A95 HydrophobicContact CB-CB 3.67Å; C86-A95 WeakPolarHBondContact SG-CB 3.48Å; C93-A95 PolarHBondContact O-N 3.43Å; A95-T97 PolarHBondContact O-N 3.47Å
96L89.8Confident87.4Confident34 Ų3430 Ų3018%0.17818%0.18CC..  trans-62.9128.2-175.1-173.873.4000112.1Y85 C86 D100 R101Y85-L96 HydrophobicContact CD1-CD2 4.24Å; Y85-L96 HydrophobicContact CD1-CG 4.21Å; Y85-L96 HydrophobicContact CE1-CD2 3.87Å; Y85-L96 HydrophobicContact CE1-CG 4.19Å; C86-L96 PolarHBondContact N-O 3.13Å; L96-D100 HydrophobicContact CD1-CB 3.86Å; L96-R101 HydrophobicContact CD1-CG 4.25Å; L96-R101 HydrophobicContact CD2-CG 4.35Å; L96-R101 VanDerWaalsContact CD2-NH2 3.28Å; L96-R101 HydrophobicContact CG-CG 4.42Å
97T94.9Very high87.5Confident0 Ų031.5 Ų31.50%019%0.185CC..  trans-107.6168.4174.4680000111.8G87 P90 A95 M99 D100G87-T97 WeakPolarHBondContact O-CA 3.23Å; G87-T97 WeakPolarHBondContact O-CB 3.28Å; P90-T97 WeakPolarHBondContact CD-OG1 3.34Å; P90-T97 HydrophobicContact CG-CG2 4.38Å; A95-T97 PolarHBondContact O-N 3.47Å; T97-M99 VanDerWaalsContact C-N 3.33Å; T97-D100 WeakPolarHBondContact CB-OD2 3.43Å; T97-D100 PolarHBondContact N-OD2 3.04Å; T97-D100 PolarHBondContact O-N 3.16Å; T97-D100 PolarHBondContact OG1-N 3.2Å; T97-D100 PolarHBondContact OG1-OD2 2.97Å
98V96.8Very high87.6Confident1 Ų137.5 Ų37.51%0.00621%0.21CC..Hα-helixtrans-62.6-42.8174.3175.10000110.3Y80 Y85 G87 L88 D100 R101 I102 I184Y80-V98 HydrophobicContact CD1-CG1 3.83Å; Y80-V98 HydrophobicContact CD2-CG1 4.39Å; Y80-V98 HydrophobicContact CD2-CG2 3.75Å; Y80-V98 HydrophobicContact CE1-CG1 4.3Å; Y80-V98 HydrophobicContact CE2-CG2 4.14Å; Y80-V98 HydrophobicContact CG-CG1 3.88Å; Y80-V98 HydrophobicContact CG-CG2 4.03Å; Y85-V98 HydrophobicContact CD1-CG2 4.24Å; Y85-V98 HydrophobicContact CD2-CG2 3.9Å; Y85-V98 HydrophobicContact CG-CG2 3.73Å; G87-V98 PolarHBondContact O-N 2.99Å; G87-V98 VanDerWaalsContact O-N 3.13Å; L88-V98 HydrophobicContact CD1-CB 3.96Å; L88-V98 HydrophobicContact CD1-CG1 3.92Å; V98-D100 VanDerWaalsContact C-N 3.34Å; V98-D100 PolarHBondContact O-N 3.42Å; V98-R101 PolarHBondContact O-N 2.87Å; V98-I102 HydrophobicContact CG1-CD1 3.81Å; V98-I102 WeakPolarHBondContact O-CG1 3.42Å; V98-I102 PolarHBondContact O-N 2.87Å; V98-I102 VanDerWaalsContact O-N 3.13Å; V98-I184 HydrophobicContact CB-CD1 4.31Å; V98-I184 HydrophobicContact CG1-CD1 3.86Å; V98-I184 HydrophobicContact CG1-CG1 4.19Å; V98-I184 HydrophobicContact CG1-CG2 4.3Å
99M95.9Very high87.6Confident0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-64.3-34.3178.2-76.8-60.5-6100113L88 V89 T97 R101 I102 F103 F120 I137L88-M99 HydrophobicContact CD1-CG 4.09Å; L88-M99 HydrophobicContact CD1-SD 4.48Å; L88-M99 HydrophobicContact CG-CG 4.2Å; L88-M99 WeakPolarHBondContact O-CB 3.31Å; L88-M99 WeakPolarHBondContact O-CG 3.37Å; L88-M99 PolarHBondContact O-N 2.96Å; V89-M99 HydrophobicContact CG2-CG 4.31Å; T97-M99 VanDerWaalsContact C-N 3.33Å; M99-R101 VanDerWaalsContact C-N 3.27Å; M99-R101 PolarHBondContact O-N 3.46Å; M99-I102 PolarHBondContact O-N 3.06Å; M99-I102 VanDerWaalsContact O-N 3.12Å; M99-I102 HydrophobicContact SD-CD1 3.92Å; M99-F103 HydrophobicContact CB-CD2 4.31Å; M99-F103 HydrophobicContact CB-CE2 4.01Å; M99-F103 HydrophobicContact CE-CD1 4.5Å; M99-F103 HydrophobicContact CE-CD2 4.33Å; M99-F103 HydrophobicContact CE-CE1 3.79Å; M99-F103 HydrophobicContact CE-CE2 3.6Å; M99-F103 HydrophobicContact CE-CZ 3.29Å; M99-F103 WeakPolarHBondContact O-CD2 3.27Å; M99-F103 WeakPolarHBondContact O-CG 3.24Å; M99-F103 PolarHBondContact O-N 3.17Å; M99-F120 HydrophobicContact CE-CD2 3.73Å; M99-F120 HydrophobicContact CE-CE2 4.02Å; M99-F120 HydrophobicContact CE-CG 4.31Å; M99-I137 HydrophobicContact CE-CD1 4.09Å; M99-I137 HydrophobicContact SD-CD1 3.96Å; M99-I137 HydrophobicContact SD-CG2 4.04Å
100D94.2Very high87.9Confident34 Ų3442.1 Ų42.118%0.18223%0.231CC..Hα-helixtrans-57.3-43.8174.7-66.5-47.7000111.4P90 L96 T97 V98 I102 F103 D104P90-D100 WeakPolarHBondContact CG-OD1 3.47Å; L96-D100 HydrophobicContact CD1-CB 3.86Å; T97-D100 WeakPolarHBondContact CB-OD2 3.43Å; T97-D100 PolarHBondContact N-OD2 3.04Å; T97-D100 PolarHBondContact O-N 3.16Å; T97-D100 PolarHBondContact OG1-N 3.2Å; T97-D100 PolarHBondContact OG1-OD2 2.97Å; V98-D100 VanDerWaalsContact C-N 3.34Å; V98-D100 PolarHBondContact O-N 3.42Å; D100-I102 VanDerWaalsContact C-N 3.34Å; D100-I102 PolarHBondContact O-N 2.99Å; D100-F103 PolarHBondContact O-N 3.29Å; D100-D104 PolarHBondContact O-N 2.92Å
101R96.1Very high88.5Confident90 Ų9039.7 Ų39.734%0.3422%0.215SC..Hα-helixtrans-67.8-34.5177-68.3-58.4-163.7-154.4-4.7113Y85 L96 V98 M99 D104 A105 P181 I184Y85-R101 HydrophobicContact CE1-CG 3.79Å; L96-R101 HydrophobicContact CD1-CG 4.25Å; L96-R101 HydrophobicContact CD2-CG 4.35Å; L96-R101 VanDerWaalsContact CD2-NH2 3.28Å; L96-R101 HydrophobicContact CG-CG 4.42Å; V98-R101 PolarHBondContact O-N 2.87Å; M99-R101 VanDerWaalsContact C-N 3.27Å; M99-R101 PolarHBondContact O-N 3.46Å; R101-D104 IonicContact NH1-OD2 3.11Å; R101-A105 WeakPolarHBondContact O-CB 3.2Å; R101-A105 PolarHBondContact O-N 2.61Å; R101-P181 HydrophobicContact CB-CG 4.21Å; R101-P181 HydrophobicContact CG-CG 4.06Å; R101-I184 HydrophobicContact CB-CD1 3.52Å; R101-I184 HydrophobicContact CG-CD1 3.93Å
102I97.3Very high89.7Confident2 Ų235.5 Ų35.51%0.0120%0.196CC..Hα-helixtrans-68.3-45.5176.4-67.5165000110.3L78 V98 M99 D100 D104 A105 L106 I137 L180 I184L78-I102 HydrophobicContact CD1-CD1 3.45Å; L78-I102 VanDerWaalsContact CD1-CD1 3.45Å; L78-I102 HydrophobicContact CD2-CD1 4.32Å; L78-I102 HydrophobicContact CG-CD1 4.48Å; V98-I102 HydrophobicContact CG1-CD1 3.81Å; V98-I102 WeakPolarHBondContact O-CG1 3.42Å; V98-I102 PolarHBondContact O-N 2.87Å; V98-I102 VanDerWaalsContact O-N 3.13Å; M99-I102 PolarHBondContact O-N 3.06Å; M99-I102 VanDerWaalsContact O-N 3.12Å; M99-I102 HydrophobicContact SD-CD1 3.92Å; D100-I102 VanDerWaalsContact C-N 3.34Å; D100-I102 PolarHBondContact O-N 2.99Å; I102-D104 PolarHBondContact O-N 3.23Å; I102-A105 PolarHBondContact O-N 2.9Å; I102-A105 VanDerWaalsContact O-N 3.15Å; I102-L106 HydrophobicContact CG2-CD1 3.76Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 2.87Å; I102-I137 HydrophobicContact CG2-CD1 4.02Å; I102-L180 HydrophobicContact CG1-CD2 4.15Å; I102-I184 HydrophobicContact CD1-CG2 4.39Å; I102-I184 HydrophobicContact CG1-CG2 4.14Å
103F96.1Very high91.1Very high8 Ų837.2 Ų37.24%0.03518%0.181CC..Hα-helixtrans-60.8-45174.8-69.6-51.8000111.7M99 D100 A105 L106 E107 I112 R115 F120M99-F103 HydrophobicContact CB-CD2 4.31Å; M99-F103 HydrophobicContact CB-CE2 4.01Å; M99-F103 HydrophobicContact CE-CD1 4.5Å; M99-F103 HydrophobicContact CE-CD2 4.33Å; M99-F103 HydrophobicContact CE-CE1 3.79Å; M99-F103 HydrophobicContact CE-CE2 3.6Å; M99-F103 HydrophobicContact CE-CZ 3.29Å; M99-F103 WeakPolarHBondContact O-CD2 3.27Å; M99-F103 WeakPolarHBondContact O-CG 3.24Å; M99-F103 PolarHBondContact O-N 3.17Å; D100-F103 PolarHBondContact O-N 3.29Å; F103-A105 PolarHBondContact O-N 3.06Å; F103-L106 HydrophobicContact CD1-CD1 4.14Å; F103-L106 PolarHBondContact O-N 2.74Å; F103-E107 WeakPolarHBondContact O-CB 3.41Å; F103-E107 WeakPolarHBondContact O-CG 3.32Å; F103-E107 PolarHBondContact O-N 3.28Å; F103-I112 HydrophobicContact CD1-CD1 3.88Å; F103-R115 HydrophobicContact CB-CB 4.24Å; F103-R115 HydrophobicContact CD1-CB 3.77Å; F103-R115 HydrophobicContact CD2-CB 4.44Å; F103-R115 HydrophobicContact CE1-CB 4.2Å; F103-R115 HydrophobicContact CG-CB 3.91Å; F103-F120 HydrophobicContact CE1-CD1 4.22Å; F103-F120 HydrophobicContact CE1-CG 4.34Å; F103-F120 HydrophobicContact CE2-CE1 4.36Å; F103-F120 HydrophobicContact CE2-CZ 4.42Å; F103-F120 AromaticContact CZ-CD1 3.6Å; F103-F120 HydrophobicContact CZ-CD1 3.6Å; F103-F120 HydrophobicContact CZ-CD2 4.14Å; F103-F120 AromaticContact CZ-CE1 3.71Å; F103-F120 HydrophobicContact CZ-CE1 3.71Å; F103-F120 HydrophobicContact CZ-CE2 4.24Å; F103-F120 AromaticContact CZ-CG 3.82Å; F103-F120 HydrophobicContact CZ-CG 3.82Å; F103-F120 HydrophobicContact CZ-CZ 4.03Å
104D95Very high92.6Very high42 Ų4237.2 Ų37.223%0.22518%0.177CC..Hα-helixtrans-57.3-39.6174.7-70.2-7.4000111.8D100 R101 I102 K108 R115D100-D104 PolarHBondContact O-N 2.92Å; R101-D104 IonicContact NH1-OD2 3.11Å; I102-D104 PolarHBondContact O-N 3.23Å; D104-K108 WeakPolarHBondContact O-CB 3.3Å; D104-K108 WeakPolarHBondContact O-CD 3.5Å; D104-K108 WeakPolarHBondContact O-CG 3.45Å; D104-K108 PolarHBondContact O-N 2.83Å; D104-R115 IonicContact OD1-CZ 3.86Å; D104-R115 IonicContact OD1-NH1 2.89Å; D104-R115 IonicContact OD1-NH2 2.87Å; D104-R115 PolarHBondContact OD1-NH2 2.66Å
105A97.6Very high93.9Very high0 Ų036.3 Ų36.30%017%0.168CC..Hα-helixtrans-70.9-41177.900000112.2R101 I102 F103 S109 L176 N179 L180R101-A105 WeakPolarHBondContact O-CB 3.2Å; R101-A105 PolarHBondContact O-N 2.61Å; I102-A105 PolarHBondContact O-N 2.9Å; I102-A105 VanDerWaalsContact O-N 3.15Å; F103-A105 PolarHBondContact O-N 3.06Å; A105-S109 VanDerWaalsContact O-CB 3.25Å; A105-S109 WeakPolarHBondContact O-CB 3.23Å; A105-S109 PolarHBondContact O-N 2.66Å; A105-S109 PolarHBondContact O-OG 3.36Å; A105-L176 HydrophobicContact CB-CD2 4.11Å; A105-N179 HydrophobicContact CB-CB 3.85Å; A105-L180 HydrophobicContact CB-CD2 3.65Å; A105-L180 HydrophobicContact CB-CG 3.79Å
106L97.9Very high94.5Very high0 Ų042.8 Ų42.80%020%0.202CC..Hα-helixtrans-61.7-46.7175.9-73160.3000111.2I102 F103 S109 K110 L111 I112 L139 L176I102-L106 HydrophobicContact CG2-CD1 3.76Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 2.87Å; F103-L106 HydrophobicContact CD1-CD1 4.14Å; F103-L106 PolarHBondContact O-N 2.74Å; L106-S109 PolarHBondContact O-N 3.28Å; L106-K110 PolarHBondContact O-N 3.07Å; L106-L111 HydrophobicContact CB-CB 4.46Å; L106-L111 HydrophobicContact CD2-CB 3.87Å; L106-L111 HydrophobicContact CD2-CD1 3.96Å; L106-L111 PolarHBondContact O-N 2.91Å; L106-I112 HydrophobicContact CB-CD1 3.61Å; L106-I112 HydrophobicContact CB-CG1 3.71Å; L106-I112 HydrophobicContact CB-CG2 4.26Å; L106-I112 HydrophobicContact CD1-CD1 4.06Å; L106-I112 HydrophobicContact CD2-CG2 4.43Å; L106-I112 HydrophobicContact CG-CD1 4.45Å; L106-L139 HydrophobicContact CD1-CD1 4.28Å; L106-L139 HydrophobicContact CD1-CD2 3.84Å; L106-L139 HydrophobicContact CD2-CD1 4.16Å; L106-L176 HydrophobicContact CD2-CD1 4.28Å; L106-L176 HydrophobicContact CD2-CD2 3.78Å; L106-L176 HydrophobicContact CG-CD2 3.91Å
107E95.8Very high94.5Very high53 Ų5347.1 Ų47.125%0.24822%0.221CC..Hα-helixtrans-64.8-43.6178.3-72169.7-179.500111.8F103 S109 K110 I112 R115F103-E107 WeakPolarHBondContact O-CB 3.41Å; F103-E107 WeakPolarHBondContact O-CG 3.32Å; F103-E107 PolarHBondContact O-N 3.28Å; E107-S109 VanDerWaalsContact C-N 3.3Å; E107-S109 PolarHBondContact O-N 2.93Å; E107-K110 PolarHBondContact O-N 2.99Å; E107-K110 VanDerWaalsContact O-N 3.15Å; E107-I112 HydrophobicContact CG-CD1 4.05Å; E107-I112 HydrophobicContact CG-CG1 3.79Å; E107-R115 VanDerWaalsContact CD-NH2 3.28Å; E107-R115 IonicContact OE1-CZ 3.79Å; E107-R115 IonicContact OE1-NE 3.28Å; E107-R115 PolarHBondContact OE1-NE 2.73Å; E107-R115 IonicContact OE1-NH2 3.33Å; E107-R115 PolarHBondContact OE1-NH2 2.85Å; E107-R115 VanDerWaalsContact OE1-NH2 3.13Å; E107-R115 IonicContact OE2-CZ 3.83Å; E107-R115 IonicContact OE2-NE 3.12Å; E107-R115 IonicContact OE2-NH2 3.68Å; E107-R115 PolarHBondContact OE2-NH2 3.47Å
108K95.1Very high94.3Very high128 Ų12847.3 Ų47.356%0.55722%0.222SC*.Hα-helixtrans-63.2-36.4175.5-76.9171.8-172.5168.80112.7D104 K110D104-K108 WeakPolarHBondContact O-CB 3.3Å; D104-K108 WeakPolarHBondContact O-CD 3.5Å; D104-K108 WeakPolarHBondContact O-CG 3.45Å; D104-K108 PolarHBondContact O-N 2.83Å; K108-K110 PolarHBondContact O-N 2.84Å
109S96Very high94Very high19 Ų1952.9 Ų52.913%0.13325%0.252CS..THydrogen-bonded Turntrans-80.8-0.5179.1-52.60000112.8A105 L106 E107 L111 R142 A175 N179A105-S109 VanDerWaalsContact O-CB 3.25Å; A105-S109 WeakPolarHBondContact O-CB 3.23Å; A105-S109 PolarHBondContact O-N 2.66Å; A105-S109 PolarHBondContact O-OG 3.36Å; L106-S109 PolarHBondContact O-N 3.28Å; E107-S109 VanDerWaalsContact C-N 3.3Å; E107-S109 PolarHBondContact O-N 2.93Å; S109-L111 PolarHBondContact O-N 3.31Å; S109-R142 PolarHBondContact O-NH2 2.68Å; S109-A175 PolarHBondContact OG-O 3.23Å; S109-N179 PolarHBondContact OG-ND2 2.76Å
110K96Very high93.9Very high95 Ų9556.3 Ų56.341%0.41327%0.267SS..THydrogen-bonded Turntrans55.436.9-175.2-53.3-60.8177.2-1690112.2F64 F66 L106 E107 K108 R142F64-K110 HydrophobicContact CB-CD 3.99Å; F64-K110 HydrophobicContact CB-CG 4.11Å; F64-K110 HydrophobicContact CD1-CB 3.91Å; F64-K110 HydrophobicContact CD1-CG 4.32Å; F64-K110 HydrophobicContact CD2-CB 4.2Å; F64-K110 HydrophobicContact CD2-CG 4.18Å; F64-K110 HydrophobicContact CE1-CB 4.15Å; F64-K110 HydrophobicContact CE2-CB 4.43Å; F64-K110 HydrophobicContact CG-CB 3.95Å; F64-K110 HydrophobicContact CG-CD 4.23Å; F64-K110 HydrophobicContact CG-CG 3.92Å; F64-K110 HydrophobicContact CZ-CB 4.43Å; F66-K110 VanDerWaalsContact CE1-O 3.29Å; F66-K110 WeakPolarHBondContact CE1-O 3.46Å; F66-K110 HydrophobicContact CZ-CB 4.21Å; L106-K110 PolarHBondContact O-N 3.07Å; E107-K110 PolarHBondContact O-N 2.99Å; E107-K110 VanDerWaalsContact O-N 3.15Å; K108-K110 PolarHBondContact O-N 2.84Å; K110-R142 WeakPolarHBondContact O-CD 3.24Å; K110-R142 PolarHBondContact O-NE 3.16Å; K110-R142 PolarHBondContact O-NH1 3Å; K110-R142 VanDerWaalsContact O-NH1 3.07Å
111L96.7Very high94Very high2 Ų255.7 Ų55.71%0.0127%0.265CS..SBendtrans-90.7-29.3177-67.1178.1000111.8L106 S109 S141 R142 M170 Y172 L176L106-L111 HydrophobicContact CB-CB 4.46Å; L106-L111 HydrophobicContact CD2-CB 3.87Å; L106-L111 HydrophobicContact CD2-CD1 3.96Å; L106-L111 PolarHBondContact O-N 2.91Å; S109-L111 PolarHBondContact O-N 3.31Å; L111-S141 CarbonylContact O-C 3.56Å; L111-S141 WeakPolarHBondContact O-CA 3.41Å; L111-S141 PolarHBondContact O-OG 3.47Å; L111-R142 PolarHBondContact O-N 3.14Å; L111-M170 HydrophobicContact CD2-CE 4.17Å; L111-M170 HydrophobicContact CD2-SD 3.34Å; L111-M170 WeakPolarHBondContact CD2-SD 3.4Å; L111-Y172 HydrophobicContact CD1-CD1 4.09Å; L111-Y172 HydrophobicContact CD2-CD1 3.99Å; L111-Y172 HydrophobicContact CD2-CE1 3.9Å; L111-L176 HydrophobicContact CD1-CD1 4.21Å; L111-L176 HydrophobicContact CD1-CD2 3.7Å; L111-L176 HydrophobicContact CD1-CG 3.79Å
112I95.9Very high94Very high8 Ų852.2 Ų52.24%0.04125%0.254CS..  trans-129.5150.517069.3-176.4000109.2F66 F103 L106 E107 R115 C118 L139F66-I112 WeakPolarHBondContact CZ-O 3.11Å; F103-I112 HydrophobicContact CD1-CD1 3.88Å; L106-I112 HydrophobicContact CB-CD1 3.61Å; L106-I112 HydrophobicContact CB-CG1 3.71Å; L106-I112 HydrophobicContact CB-CG2 4.26Å; L106-I112 HydrophobicContact CD1-CD1 4.06Å; L106-I112 HydrophobicContact CD2-CG2 4.43Å; L106-I112 HydrophobicContact CG-CD1 4.45Å; E107-I112 HydrophobicContact CG-CD1 4.05Å; E107-I112 HydrophobicContact CG-CG1 3.79Å; I112-R115 HydrophobicContact CD1-CB 4.24Å; I112-C118 HydrophobicContact CB-CB 4.46Å; I112-C118 HydrophobicContact CG2-CB 3.94Å; I112-L139 HydrophobicContact CG2-CD1 3.94Å
113E91.1Very high94Very high121 Ų12152.1 Ų52.157%0.56525%0.254SS*.SBendtrans-89.8-46.4174.8-177.7166.9-155.300111.1F66F66-E113 HydrophobicContact CD1-CB 4.45Å; F66-E113 HydrophobicContact CD2-CB 4Å; F66-E113 HydrophobicContact CD2-CG 4.1Å; F66-E113 HydrophobicContact CE1-CB 4.3Å; F66-E113 HydrophobicContact CE2-CB 3.84Å; F66-E113 HydrophobicContact CE2-CG 4.08Å; F66-E113 HydrophobicContact CG-CB 4.31Å; F66-E113 HydrophobicContact CZ-CB 4Å
114N89Confident93.8Very high52 Ų5252.5 Ų52.528%0.27826%0.259SS..  trans-136.7124-179.2-176.1-10.2000109.9N116 E117N114-N116 PolarHBondContact O-N 3.02Å; N114-N116 VanDerWaalsContact O-N 3.16Å; N114-N116 WeakPolarHBondContact OD1-CB 3.34Å; N114-N116 PolarHBondContact OD1-N 3.15Å; N114-N116 PolarHBondContact OD1-ND2 2.85Å; N114-E117 HydrophobicContact CB-CB 4.21Å; N114-E117 HydrophobicContact CB-CG 4.16Å; N114-E117 PolarHBondContact ND2-OE1 3.32Å; N114-E117 PolarHBondContact O-N 3.06Å
115R90.5Very high93.7Very high67 Ų6756.1 Ų56.125%0.25327%0.27SS..THydrogen-bonded Turntrans-61.4-18.6176.865.7-178.869.2-168.3-1.1114.4F103 D104 E107 I112 C118F103-R115 HydrophobicContact CB-CB 4.24Å; F103-R115 HydrophobicContact CD1-CB 3.77Å; F103-R115 HydrophobicContact CD2-CB 4.44Å; F103-R115 HydrophobicContact CE1-CB 4.2Å; F103-R115 HydrophobicContact CG-CB 3.91Å; D104-R115 IonicContact OD1-CZ 3.86Å; D104-R115 IonicContact OD1-NH1 2.89Å; D104-R115 IonicContact OD1-NH2 2.87Å; D104-R115 PolarHBondContact OD1-NH2 2.66Å; E107-R115 VanDerWaalsContact CD-NH2 3.28Å; E107-R115 IonicContact OE1-CZ 3.79Å; E107-R115 IonicContact OE1-NE 3.28Å; E107-R115 PolarHBondContact OE1-NE 2.73Å; E107-R115 IonicContact OE1-NH2 3.33Å; E107-R115 PolarHBondContact OE1-NH2 2.85Å; E107-R115 VanDerWaalsContact OE1-NH2 3.13Å; E107-R115 IonicContact OE2-CZ 3.83Å; E107-R115 IonicContact OE2-NE 3.12Å; E107-R115 IonicContact OE2-NH2 3.68Å; E107-R115 PolarHBondContact OE2-NH2 3.47Å; I112-R115 HydrophobicContact CD1-CB 4.24Å; R115-C118 PolarHBondContact O-SG 2.88Å; R115-C118 VanDerWaalsContact O-SG 3.36Å
116N87.4Confident93.6Very high142 Ų14256.2 Ų56.276%0.75927%0.271SS*.THydrogen-bonded Turntrans-85.1-9.1176.6-59.3-45.4000113.2N114N114-N116 PolarHBondContact O-N 3.02Å; N114-N116 VanDerWaalsContact O-N 3.16Å; N114-N116 WeakPolarHBondContact OD1-CB 3.34Å; N114-N116 PolarHBondContact OD1-N 3.15Å; N114-N116 PolarHBondContact OD1-ND2 2.85Å
117E88.6Confident93.3Very high126 Ų12657.3 Ų57.359%0.58928%0.277SS*.SBendtrans-119.38.8-173.5-65.3171.2-149.800112.9N114N114-E117 HydrophobicContact CB-CB 4.21Å; N114-E117 HydrophobicContact CB-CG 4.16Å; N114-E117 PolarHBondContact ND2-OE1 3.32Å; N114-E117 PolarHBondContact O-N 3.06Å
118C91.6Very high93.2Very high3 Ų360.2 Ų60.22%0.0229%0.285CS..SBendtrans-94.79.1-177.367.50000114.4I112 R115 F120 L139 V140I112-C118 HydrophobicContact CB-CB 4.46Å; I112-C118 HydrophobicContact CG2-CB 3.94Å; R115-C118 PolarHBondContact O-SG 2.88Å; R115-C118 VanDerWaalsContact O-SG 3.36Å; C118-F120 VanDerWaalsContact C-N 3.34Å; C118-F120 PolarHBondContact O-N 3.45Å; C118-L139 HydrophobicContact CB-CB 4.49Å; C118-L139 CarbonylContact O-C 3.48Å; C118-L139 WeakPolarHBondContact O-CA 3.38Å; C118-L139 WeakPolarHBondContact O-CB 3.41Å; C118-V140 PolarHBondContact O-N 3.24Å
119D90.8Very high93.2Very high118 Ų11854.3 Ų54.363%0.63126%0.26SS*.  trans43.154.3176.4-167.125.6000113.9V140D119-V140 HydrophobicContact CB-CG2 4.29Å
120F93.7Very high93.3Very high73 Ų7353.5 Ų53.532%0.3226%0.255SS..  trans-82.7142.7-17384.3-82.9000112.7M99 F103 C118 V122 S138 L139M99-F120 HydrophobicContact CE-CD2 3.73Å; M99-F120 HydrophobicContact CE-CE2 4.02Å; M99-F120 HydrophobicContact CE-CG 4.31Å; F103-F120 HydrophobicContact CE1-CD1 4.22Å; F103-F120 HydrophobicContact CE1-CG 4.34Å; F103-F120 HydrophobicContact CE2-CE1 4.36Å; F103-F120 HydrophobicContact CE2-CZ 4.42Å; F103-F120 AromaticContact CZ-CD1 3.6Å; F103-F120 HydrophobicContact CZ-CD1 3.6Å; F103-F120 HydrophobicContact CZ-CD2 4.14Å; F103-F120 AromaticContact CZ-CE1 3.71Å; F103-F120 HydrophobicContact CZ-CE1 3.71Å; F103-F120 HydrophobicContact CZ-CE2 4.24Å; F103-F120 AromaticContact CZ-CG 3.82Å; F103-F120 HydrophobicContact CZ-CG 3.82Å; F103-F120 HydrophobicContact CZ-CZ 4.03Å; C118-F120 VanDerWaalsContact C-N 3.34Å; C118-F120 PolarHBondContact O-N 3.45Å; F120-V122 HydrophobicContact CD2-CG1 4.1Å; F120-V122 HydrophobicContact CE2-CG1 4.1Å; F120-S138 CarbonylContact C-O 3.43Å; F120-S138 WeakPolarHBondContact CA-O 3.32Å; F120-L139 HydrophobicContact CB-CB 3.93Å
121S95.7Very high93.4Very high21 Ų2149.2 Ų49.215%0.14724%0.237CC..EExtended strand (participates in β ladder)trans-129.9154.4171.183.30000111.4I137 S138 A198S121-I137 CarbonylContact O-C 3.5Å; S121-I137 WeakPolarHBondContact O-CA 3.44Å; S121-I137 WeakPolarHBondContact O-CB 3.49Å; S121-S138 PolarHBondContact N-O 2.66Å; S121-S138 PolarHBondContact O-N 2.95Å; S121-S138 PolarHBondContact OG-OG 2.94Å; S121-A198 WeakPolarHBondContact OG-CB 3.47Å; S121-A198 PolarHBondContact OG-N 2.72Å
122V96.3Very high93.5Very high16 Ų1649.1 Ų49.110%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-127.5140.9-178.8-540000111.2L88 V89 F120 G124 R125 I137 R199L88-V122 HydrophobicContact CD2-CB 4.13Å; L88-V122 HydrophobicContact CD2-CG1 4.32Å; L88-V122 HydrophobicContact CD2-CG2 4.45Å; V89-V122 HydrophobicContact CG2-CG1 4.02Å; V89-V122 HydrophobicContact CG2-CG2 4Å; F120-V122 HydrophobicContact CD2-CG1 4.1Å; F120-V122 HydrophobicContact CE2-CG1 4.1Å; V122-G124 PolarHBondContact O-N 3.12Å; V122-R125 HydrophobicContact CG2-CG 4.24Å; V122-I137 HydrophobicContact CB-CG2 4.26Å; V122-I137 HydrophobicContact CG1-CG2 3.77Å; V122-R199 WeakPolarHBondContact O-CA 3.46Å; V122-R199 VanDerWaalsContact O-CB 3.28Å; V122-R199 WeakPolarHBondContact O-CB 3.21Å
123C96.5Very high93.6Very high1 Ų152.5 Ų52.51%0.00725%0.253CS..SBendtrans-61.4-45.8-177.2-175.30000113.8Q135 V136 A198 C202 R205 Y335C123-Q135 VanDerWaalsContact CB-OE1 3.25Å; C123-V136 HydrophobicContact CB-CB 4.16Å; C123-V136 WeakPolarHBondContact CB-O 3.35Å; C123-V136 PolarHBondContact N-O 3.32Å; C123-A198 VanDerWaalsContact CA-O 3.31Å; C123-A198 WeakPolarHBondContact CA-O 3.24Å; C123-C202 PolarHBondContact SG-SG 3.39Å; C123-R205 PolarHBondContact O-NE 3.31Å; C123-R205 PolarHBondContact O-NH2 3.05Å; C123-Y335 WeakPolarHBondContact CB-OH 3.41Å; C123-Y335 PolarHBondContact SG-OH 2.94Å
124G91.8Very high93.9Very high15 Ų1548 Ų4816%0.15524%0.235CC..  trans-160.2135.8176.300000109.9L88 V122 Q135L88-G124 WeakPolarHBondContact CD2-O 3.45Å; V122-G124 PolarHBondContact O-N 3.12Å; G124-Q135 PolarHBondContact O-NE2 3.3Å
125R92.9Very high94.3Very high118 Ų11845.6 Ų45.645%0.44522%0.222SC..PPolyproline II helixtrans-70.5131.9174.5-66.6178.5177.4157.2-0.7108.8V89 V122V89-R125 HydrophobicContact CG2-CG 4.18Å; V122-R125 HydrophobicContact CG2-CG 4.24Å
126T95.5Very high94.7Very high3 Ų342.5 Ų42.52%0.01821%0.21CC..PPolyproline II helixtrans-101.6142166.961.80000109.8Y80 G87 L88 V130 Y207 F330Y80-T126 WeakPolarHBondContact OH-CG2 3.36Å; Y80-T126 PolarHBondContact OH-OG1 2.78Å; G87-T126 VanDerWaalsContact CA-O 3.3Å; G87-T126 WeakPolarHBondContact CA-O 3.49Å; L88-T126 PolarHBondContact N-O 3.39Å; T126-V130 HydrophobicContact CG2-CG1 4Å; T126-Y207 HydrophobicContact CG2-CE1 4.5Å; T126-F330 HydrophobicContact CG2-CB 3.86Å; T126-F330 HydrophobicContact CG2-CG 4.46Å
127D92.9Very high95.2Very high23 Ų2335.8 Ų35.812%0.12317%0.174CC..PPolyproline II helixtrans-72.1172.5179.4-57-42.4000111.7G87 G129 V130 Y282 H283G87-D127 WeakPolarHBondContact CA-O 3.38Å; D127-G129 PolarHBondContact O-N 2.9Å; D127-V130 HydrophobicContact CB-CG2 3.97Å; D127-V130 WeakPolarHBondContact O-CB 3.38Å; D127-V130 PolarHBondContact O-N 2.95Å; D127-Y282 WeakPolarHBondContact OD1-CE2 3.28Å; D127-H283 VanDerWaalsContact CG-CD2 3.5Å; D127-H283 IonicContact OD1-CD2 3.98Å; D127-H283 IonicContact OD1-NE2 3.57Å; D127-H283 IonicContact OD2-CD2 2.66Å; D127-H283 PolarHBondContact OD2-CD2 3.37Å; D127-H283 IonicContact OD2-NE2 2.72Å
128R93.5Very high95.7Very high114 Ų11429.8 Ų29.843%0.4315%0.147SC..THydrogen-bonded Turntrans-50.7138.1170.5172.5173.9176-179.4-5.1110.5V130 D325R128-V130 PolarHBondContact O-N 3.24Å; R128-V130 VanDerWaalsContact O-N 3.14Å; R128-D325 WeakPolarHBondContact O-CB 3.23Å; R128-D325 VanDerWaalsContact O-CG 3.32Å
129G95Very high96Very high3 Ų329.7 Ų29.73%0.03115%0.146CC..THydrogen-bonded Turntrans78.3-18.7177.900000115.1G82 W83 Y85 D127G82-G129 CarbonylContact C-O 3.56Å; G82-G129 VanDerWaalsContact O-CA 3.32Å; G82-G129 WeakPolarHBondContact O-CA 3.42Å; G82-G129 PolarHBondContact O-N 2.92Å; W83-G129 VanDerWaalsContact CD1-O 3.25Å; Y85-G129 PolarHBondContact O-N 3.28Å; D127-G129 PolarHBondContact O-N 2.9Å
130V97.8Very high96.3Very high2 Ų225.1 Ų25.11%0.01212%0.122CC..  trans-77.9128.5-175.9178.90000110.9Y80 G82 T126 D127 R128 Y207 D325 L328Y80-V130 WeakPolarHBondContact CE2-O 3.09Å; G82-V130 WeakPolarHBondContact CA-O 3.45Å; T126-V130 HydrophobicContact CG2-CG1 4Å; D127-V130 HydrophobicContact CB-CG2 3.97Å; D127-V130 WeakPolarHBondContact O-CB 3.38Å; D127-V130 PolarHBondContact O-N 2.95Å; R128-V130 PolarHBondContact O-N 3.24Å; R128-V130 VanDerWaalsContact O-N 3.14Å; V130-Y207 HydrophobicContact CG1-CE1 4.48Å; V130-D325 HydrophobicContact CG2-CB 4.13Å; V130-L328 HydrophobicContact CG1-CB 4.13Å; V130-L328 HydrophobicContact CG1-CD2 3.96Å; V130-L328 HydrophobicContact CG1-CG 3.82Å; V130-L328 HydrophobicContact CG2-CB 4.24Å; V130-L328 HydrophobicContact CG2-CD2 3.9Å; V130-L328 HydrophobicContact CG2-CG 4.37Å
131S98.6Very high96.4Very high6 Ų621.7 Ų21.74%0.04211%0.107CC..EExtended strand (participates in β ladder)trans-85.9163.6178.5-61.80000111.8Y80 G82 L328 L329 F330Y80-S131 WeakPolarHBondContact O-CA 3.39Å; Y80-S131 WeakPolarHBondContact O-CB 3.45Å; G82-S131 PolarHBondContact N-OG 3.49Å; S131-L328 PolarHBondContact N-O 3.4Å; S131-L328 VanDerWaalsContact N-O 3.09Å; S131-L329 WeakPolarHBondContact O-CA 3.44Å; S131-F330 PolarHBondContact O-N 2.88Å
132G98.3Very high96.5Very high0 Ų022.3 Ų22.30%011%0.106CC..EExtended strand (participates in β ladder)trans-139.2140.6174.600000111.6S79 Y80 F330S79-G132 CarbonylContact C-O 3.54Å; S79-G132 WeakPolarHBondContact CA-O 3.43Å; S79-G132 PolarHBondContact OG-O 3.27Å; Y80-G132 PolarHBondContact N-O 3.43Å; Y80-G132 PolarHBondContact O-N 3.27Å; G132-F330 CarbonylContact C-O 3.59Å; G132-F330 WeakPolarHBondContact CA-O 3.4Å
133M97.9Very high96.5Very high78 Ų7821.6 Ų21.638%0.38410%0.102SC..EExtended strand (participates in β ladder)trans-102.3-52.3-179.5-175.8179.172.500112.1L78 S79 L187 L329 F330 I331L78-M133 CarbonylContact C-O 3.57Å; L78-M133 CarbonylContact O-C 3.53Å; L78-M133 VanDerWaalsContact O-C 3.31Å; S79-M133 WeakPolarHBondContact CA-O 3.39Å; S79-M133 VanDerWaalsContact CB-O 3.24Å; S79-M133 WeakPolarHBondContact CB-O 3.37Å; M133-L187 VanDerWaalsContact O-CD1 3.23Å; M133-L187 WeakPolarHBondContact O-CD1 3.25Å; M133-L329 HydrophobicContact CB-CD1 4.21Å; M133-F330 PolarHBondContact N-O 2.8Å; M133-I331 HydrophobicContact CE-CB 4.49Å; M133-I331 HydrophobicContact CE-CD1 4.16Å; M133-I331 HydrophobicContact CE-CG2 3.72Å
134C97.8Very high96.4Very high28 Ų2823.3 Ų23.319%0.18911%0.111CC..EExtended strand (participates in β ladder)trans-125.249.8178-61.10000110.8K77 L78 I331 A332K77-C134 HydrophobicContact CD-CB 4.22Å; K77-C134 HydrophobicContact CG-CB 4.14Å; L78-C134 CarbonylContact O-C 3.41Å; C134-I331 WeakPolarHBondContact CA-O 3.18Å; C134-I331 WeakPolarHBondContact CB-O 3.15Å; C134-I331 PolarHBondContact N-O 2.94Å; C134-A332 HydrophobicContact CB-CB 4Å
135Q98.2Very high96.5Very high0 Ų023.4 Ų23.40%011%0.107CC..EExtended strand (participates in β ladder)trans-60.9140.7171179.565.6-99.900109.5K77 L78 Y80 L88 C123 G124 F330K77-Q135 CarbonylContact C-O 3.52Å; K77-Q135 WeakPolarHBondContact CA-O 3.21Å; L78-Q135 HydrophobicContact CB-CB 4.22Å; L78-Q135 PolarHBondContact N-O 2.96Å; L78-Q135 PolarHBondContact O-N 2.97Å; Y80-Q135 HydrophobicContact CE1-CB 3.62Å; Y80-Q135 HydrophobicContact CE1-CG 3.87Å; Y80-Q135 PolarHBondContact OH-NE2 3.32Å; L88-Q135 HydrophobicContact CD1-CG 4.42Å; L88-Q135 HydrophobicContact CD2-CG 3.98Å; C123-Q135 VanDerWaalsContact CB-OE1 3.25Å; G124-Q135 PolarHBondContact O-NE2 3.3Å; Q135-F330 HydrophobicContact CB-CD1 4.17Å; Q135-F330 HydrophobicContact CB-CE1 4.32Å
136V98.4Very high96.4Very high3 Ų319.6 Ų19.62%0.01810%0.101CC..EExtended strand (participates in β ladder)trans-118.3128.9179.1177.10000109A75 L76 C123 A198 Y335 W342A75-V136 HydrophobicContact CB-CG1 4.32Å; L76-V136 WeakPolarHBondContact O-CA 3.29Å; C123-V136 HydrophobicContact CB-CB 4.16Å; C123-V136 WeakPolarHBondContact CB-O 3.35Å; C123-V136 PolarHBondContact N-O 3.32Å; V136-A198 HydrophobicContact CG1-CB 4.05Å; V136-Y335 HydrophobicContact CB-CE2 4.15Å; V136-Y335 WeakPolarHBondContact CB-OH 3.36Å; V136-Y335 HydrophobicContact CG1-CE2 4.33Å; V136-Y335 HydrophobicContact CG2-CE2 3.95Å; V136-W342 HydrophobicContact CG1-CH2 4.06Å; V136-W342 HydrophobicContact CG2-CH2 3.89Å; V136-W342 HydrophobicContact CG2-CZ2 3.86Å
137I98.1Very high96.3Very high0 Ų029.6 Ų29.60%014%0.138CC..EExtended strand (participates in β ladder)trans-119.1152.9166.268.9170.2000108.9A75 L76 L78 M99 I102 S121 V122 L139A75-I137 CarbonylContact C-O 3.47Å; A75-I137 VanDerWaalsContact CA-O 3.24Å; A75-I137 WeakPolarHBondContact CA-O 3.45Å; L76-I137 HydrophobicContact CB-CG1 3.9Å; L76-I137 HydrophobicContact CD1-CD1 4.25Å; L76-I137 HydrophobicContact CD1-CG1 4.46Å; L76-I137 PolarHBondContact N-O 3.08Å; L76-I137 PolarHBondContact O-N 3.24Å; L76-I137 VanDerWaalsContact O-N 3.09Å; L78-I137 HydrophobicContact CD1-CB 4.45Å; L78-I137 HydrophobicContact CD1-CD1 3.9Å; L78-I137 HydrophobicContact CD1-CG1 3.9Å; L78-I137 HydrophobicContact CD1-CG2 3.75Å; L78-I137 HydrophobicContact CG-CG1 4.43Å; M99-I137 HydrophobicContact CE-CD1 4.09Å; M99-I137 HydrophobicContact SD-CD1 3.96Å; M99-I137 HydrophobicContact SD-CG2 4.04Å; I102-I137 HydrophobicContact CG2-CD1 4.02Å; S121-I137 CarbonylContact O-C 3.5Å; S121-I137 WeakPolarHBondContact O-CA 3.44Å; S121-I137 WeakPolarHBondContact O-CB 3.49Å; V122-I137 HydrophobicContact CB-CG2 4.26Å; V122-I137 HydrophobicContact CG1-CG2 3.77Å; I137-L139 HydrophobicContact CD1-CD2 3.78Å; I137-L139 HydrophobicContact CG1-CD2 4.38Å
138S98Very high96.3Very high1 Ų130.7 Ų30.71%0.00716%0.155CC..EExtended strand (participates in β ladder)trans-121150.2165.775.30000109.7H73 I74 F120 S121H73-S138 VanDerWaalsContact NE2-CB 3.31Å; H73-S138 WeakPolarHBondContact NE2-CB 3.3Å; H73-S138 PolarHBondContact NE2-OG 2.98Å; H73-S138 VanDerWaalsContact NE2-OG 3.13Å; I74-S138 CarbonylContact O-C 3.53Å; I74-S138 VanDerWaalsContact O-CA 3.23Å; I74-S138 WeakPolarHBondContact O-CA 3.49Å; F120-S138 CarbonylContact C-O 3.43Å; F120-S138 WeakPolarHBondContact CA-O 3.32Å; S121-S138 PolarHBondContact N-O 2.66Å; S121-S138 PolarHBondContact O-N 2.95Å; S121-S138 PolarHBondContact OG-OG 2.94Å
139L98Very high96.4Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-164.7160.3175.962.4105.3000111H73 I74 L76 L106 I112 C118 F120 I137H73-L139 PolarHBondContact CD2-O 3.26Å; I74-L139 PolarHBondContact N-O 3Å; I74-L139 PolarHBondContact O-N 3.49Å; L76-L139 HydrophobicContact CD1-CD2 4.18Å; L106-L139 HydrophobicContact CD1-CD1 4.28Å; L106-L139 HydrophobicContact CD1-CD2 3.84Å; L106-L139 HydrophobicContact CD2-CD1 4.16Å; I112-L139 HydrophobicContact CG2-CD1 3.94Å; C118-L139 HydrophobicContact CB-CB 4.49Å; C118-L139 CarbonylContact O-C 3.48Å; C118-L139 WeakPolarHBondContact O-CA 3.38Å; C118-L139 WeakPolarHBondContact O-CB 3.41Å; F120-L139 HydrophobicContact CB-CB 3.93Å; I137-L139 HydrophobicContact CD1-CD2 3.78Å; I137-L139 HydrophobicContact CG1-CD2 4.38Å
140V97.2Very high96.4Very high22 Ų2229.6 Ų29.613%0.13316%0.162CC..EExtended strand (participates in β ladder)trans-82.9119.4170.8179.30000109.9K71 R72 C118 D119 I152K71-V140 HydrophobicContact CB-CG1 3.74Å; K71-V140 HydrophobicContact CD-CG1 4.19Å; K71-V140 HydrophobicContact CG-CG1 4.36Å; R72-V140 WeakPolarHBondContact O-CA 3.21Å; C118-V140 PolarHBondContact O-N 3.24Å; D119-V140 HydrophobicContact CB-CG2 4.29Å; V140-I152 HydrophobicContact CG1-CD1 3.64Å; V140-I152 HydrophobicContact CG2-CD1 4.13Å
141S97Very high96.3Very high1 Ų130.3 Ų30.31%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-123.1157.5-178.6176.70000111.3K71 R72 L111 Y172K71-S141 CarbonylContact C-O 3.06Å; K71-S141 WeakPolarHBondContact CA-O 3.33Å; R72-S141 PolarHBondContact N-O 3.32Å; R72-S141 PolarHBondContact O-N 3.37Å; L111-S141 CarbonylContact O-C 3.56Å; L111-S141 WeakPolarHBondContact O-CA 3.41Å; L111-S141 PolarHBondContact O-OG 3.47Å; S141-Y172 WeakPolarHBondContact OG-CE1 3.43Å
142R96.3Very high96.1Very high35 Ų3532.4 Ų32.413%0.13218%0.176CC..EExtended strand (participates in β ladder)trans-55.6138.4165.6-172.3-169.368.1-167.3-4.1110.3Y69 K70 S109 K110 L111 M170 Y172Y69-R142 HydrophobicContact CD1-CG 4.29Å; Y69-R142 HydrophobicContact CG-CG 3.91Å; K70-R142 CarbonylContact O-C 3.51Å; S109-R142 PolarHBondContact O-NH2 2.68Å; K110-R142 WeakPolarHBondContact O-CD 3.24Å; K110-R142 PolarHBondContact O-NE 3.16Å; K110-R142 PolarHBondContact O-NH1 3Å; K110-R142 VanDerWaalsContact O-NH1 3.07Å; L111-R142 PolarHBondContact O-N 3.14Å; R142-M170 HydrophobicContact CG-CE 4.42Å; R142-M170 VanDerWaalsContact O-CE 3.31Å; R142-M170 WeakPolarHBondContact O-CE 3.4Å; R142-Y172 PolarHBondContact O-OH 3.48Å
143S96Very high95.7Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-124.9145.2177.1176.60000111K70 I145 E169K70-S143 PolarHBondContact O-N 3.03Å; S143-I145 WeakPolarHBondContact OG-CG1 3.2Å; S143-I145 PolarHBondContact OG-N 3.05Å; S143-E169 VanDerWaalsContact CB-OE2 3.29Å; S143-E169 WeakPolarHBondContact CB-OE2 3.22Å; S143-E169 PolarHBondContact OG-OE2 3.1Å
144L94.6Very high95.4Very high38 Ų3843.7 Ų43.720%0.19923%0.233CC..SBendtrans-81.6-29.8175.8-68-172.4000113.4Y69 R162 P166 E169 M170Y69-L144 HydrophobicContact CD1-CD2 3.79Å; Y69-L144 HydrophobicContact CE1-CD2 3.59Å; L144-R162 PolarHBondContact O-NH1 3.06Å; L144-P166 HydrophobicContact CB-CG 4.33Å; L144-P166 HydrophobicContact CD1-CG 4.41Å; L144-E169 PolarHBondContact N-OE1 3.2Å; L144-M170 HydrophobicContact CD1-CB 3.71Å; L144-M170 HydrophobicContact CD2-CE 3.86Å; L144-M170 HydrophobicContact CG-CB 4Å; L144-M170 HydrophobicContact CG-CE 3.63Å
145I94Very high95.1Very high16 Ų1642.9 Ų42.98%0.08223%0.228CC..SBendtrans-87.9154.2-172.669.5177.5000111.2K70 S143 R147 V151 P166 E168 E169K70-I145 WeakPolarHBondContact CG-O 3.49Å; S143-I145 WeakPolarHBondContact OG-CG1 3.2Å; S143-I145 PolarHBondContact OG-N 3.05Å; I145-R147 WeakPolarHBondContact CD1-O 3.47Å; I145-V151 HydrophobicContact CD1-CG2 4.32Å; I145-V151 HydrophobicContact CG1-CG2 4.12Å; I145-P166 WeakPolarHBondContact CG2-O 3.5Å; I145-E168 VanDerWaalsContact CG2-C 3.48Å; I145-E168 WeakPolarHBondContact CG2-O 3.45Å; I145-E169 HydrophobicContact CG2-CB 4.49Å
146A92.4Very high94.7Very high38 Ų3843.2 Ų43.231%0.31423%0.231SC..SBendtrans-85.9-23.6-178.500000114.2I159 V165A146-I159 HydrophobicContact CB-CD1 3.96Å; A146-V165 HydrophobicContact CB-CG1 4.06Å
147R92.5Very high94.2Very high213 Ų21347.2 Ų47.280%0.80426%0.257SS*.SBendtrans-146.3152.7-172.4-59.3-179.3-174.8-122.90.9110.3I145I145-R147 WeakPolarHBondContact CD1-O 3.47Å
148G93.6Very high93.7Very high46 Ų4648.6 Ų48.647%0.47427%0.266SS..SBendtrans144.4174.1177.200000111.9G150 V151G148-G150 PolarHBondContact O-N 2.87Å; G148-V151 WeakPolarHBondContact O-CB 3.47Å; G148-V151 PolarHBondContact O-N 3.45Å; G148-V151 VanDerWaalsContact O-N 3.08Å
149V94.3Very high93.2Very high89 Ų8949.3 Ų49.354%0.53927%0.27SS..THydrogen-bonded Turntrans-55.2126.8179.5177.80000110.4R72 V151 P191R72-V149 VanDerWaalsContact CZ-O 3.27Å; R72-V149 PolarHBondContact NE-O 2.96Å; R72-V149 PolarHBondContact NH2-O 3.46Å; V149-V151 VanDerWaalsContact C-N 3.26Å; V149-V151 PolarHBondContact O-N 3.18Å; V149-P191 HydrophobicContact CB-CB 4.21Å; V149-P191 HydrophobicContact CG1-CB 4.36Å
150G95.1Very high92.4Very high6 Ų654.2 Ų54.26%0.06230%0.304CS..THydrogen-bonded Turntrans79.4-5177.700000115.5R72 H73 G148 I152 V192R72-G150 CarbonylContact C-O 3.55Å; R72-G150 VanDerWaalsContact CA-O 3.22Å; R72-G150 WeakPolarHBondContact CA-O 3.04Å; H73-G150 PolarHBondContact N-O 3.13Å; G148-G150 PolarHBondContact O-N 2.87Å; G150-I152 PolarHBondContact O-N 2.97Å; G150-V192 WeakPolarHBondContact CA-O 3.47Å; G150-V192 PolarHBondContact N-O 2.59Å
151V95.9Very high91.9Very high17 Ų1759.2 Ų59.210%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-69.3130.2176.4177.20000109.2K70 R72 I145 G148 V149 E153K70-V151 HydrophobicContact CB-CG1 3.9Å; K70-V151 HydrophobicContact CD-CG1 4.48Å; K70-V151 HydrophobicContact CG-CG1 3.87Å; R72-V151 HydrophobicContact CB-CG2 4.38Å; R72-V151 HydrophobicContact CG-CG2 4.07Å; I145-V151 HydrophobicContact CD1-CG2 4.32Å; I145-V151 HydrophobicContact CG1-CG2 4.12Å; G148-V151 WeakPolarHBondContact O-CB 3.47Å; G148-V151 PolarHBondContact O-N 3.45Å; G148-V151 VanDerWaalsContact O-N 3.08Å; V149-V151 VanDerWaalsContact C-N 3.26Å; V149-V151 PolarHBondContact O-N 3.18Å; V151-E153 PolarHBondContact O-N 2.92Å
152I94.7Very high91.5Very high49 Ų4961.6 Ų61.625%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-88.5107.7-177.2-62.2176.4000108.1K71 V140 G150 D154 S155K71-I152 HydrophobicContact CB-CB 4.37Å; K71-I152 HydrophobicContact CB-CD1 4.02Å; K71-I152 PolarHBondContact O-N 3.07Å; V140-I152 HydrophobicContact CG1-CD1 3.64Å; V140-I152 HydrophobicContact CG2-CD1 4.13Å; G150-I152 PolarHBondContact O-N 2.97Å; I152-D154 WeakPolarHBondContact CG2-OD1 3.32Å; I152-D154 PolarHBondContact O-N 3.19Å; I152-S155 WeakPolarHBondContact O-CB 3.38Å; I152-S155 PolarHBondContact O-N 3.45Å; I152-S155 PolarHBondContact O-OG 3.28Å
153E90.5Very high90.8Very high167 Ų16769 Ų6978%0.7837%0.371SS*.THydrogen-bonded Turntrans-62.6-37.1-167.7-65.4-168.1160.100114.2K70 V151 S155K70-E153 PolarHBondContact NZ-O 2.95Å; V151-E153 PolarHBondContact O-N 2.92Å; E153-S155 VanDerWaalsContact C-N 3.31Å
154D90.6Very high90.3Very high148 Ų14875.2 Ų75.279%0.79140%0.404SS*.THydrogen-bonded Turntrans-82.3-6.4-179.663.3-24.5000113.7I152I152-D154 WeakPolarHBondContact CG2-OD1 3.32Å; I152-D154 PolarHBondContact O-N 3.19Å
155S92.1Very high90Very high12 Ų1275.9 Ų75.98%0.08441%0.41CS..SBendtrans-78.6161.5174.773.30000112.6K70 K71 I152 E153K70-S155 WeakPolarHBondContact CD-O 3.45Å; K70-S155 WeakPolarHBondContact CE-O 3.46Å; K70-S155 PolarHBondContact NZ-O 3.27Å; K71-S155 PolarHBondContact N-OG 3.21Å; I152-S155 WeakPolarHBondContact O-CB 3.38Å; I152-S155 PolarHBondContact O-N 3.45Å; I152-S155 PolarHBondContact O-OG 3.28Å; E153-S155 VanDerWaalsContact C-N 3.31Å
156G89.9Confident89.9Confident6 Ų677.4 Ų77.46%0.06242%0.421CS..  trans59.159171.600000114.3D67 Y69 C158 I159D67-G156 CarbonylContact O-C 3.59Å; D67-G156 WeakPolarHBondContact O-CA 3.48Å; Y69-G156 WeakPolarHBondContact O-CA 3.34Å; G156-C158 PolarHBondContact O-N 2.94Å; G156-C158 VanDerWaalsContact O-N 3.14Å; G156-I159 WeakPolarHBondContact O-CB 3.44Å; G156-I159 WeakPolarHBondContact O-CG2 3.47Å; G156-I159 PolarHBondContact O-N 3.33Å; G156-I159 VanDerWaalsContact O-N 3.08Å
157P87.4Confident89.8Confident87 Ų8783.5 Ų83.557%0.56545%0.448SS*.THydrogen-bonded Turntrans-60.7-24.9-173.326.1-35.6000113.4D67D67-P157 HydrophobicContact CB-CG 4.27Å
158C88.5Confident89.8Confident30 Ų3081 Ų8120%0.20345%0.445CS..THydrogen-bonded Turntrans-93.511.7-179.1-62.60000113.1D67 R68 G156 S160 E161D67-C158 WeakPolarHBondContact O-CB 3.11Å; D67-C158 PolarHBondContact O-N 2.8Å; R68-C158 HydrophobicContact CG-CB 4.03Å; G156-C158 PolarHBondContact O-N 2.94Å; G156-C158 VanDerWaalsContact O-N 3.14Å; C158-S160 PolarHBondContact O-N 3.09Å; C158-E161 HydrophobicContact CB-CG 4.23Å; C158-E161 VanDerWaalsContact O-CB 3.32Å; C158-E161 WeakPolarHBondContact O-CB 3.24Å; C158-E161 PolarHBondContact O-N 3.12Å; C158-E161 VanDerWaalsContact O-N 3.09Å; C158-E161 PolarHBondContact SG-OE1 2.82Å
159I86.4Confident89.8Confident15 Ų1580.3 Ų80.38%0.07743%0.43CS..G310 helixtrans-63.3-32177.9-167.7167.9000112.2K70 A146 G156 E161 R162 V165K70-I159 HydrophobicContact CD-CD1 4.44Å; K70-I159 HydrophobicContact CD-CG2 4.44Å; K70-I159 HydrophobicContact CG-CD1 3.72Å; A146-I159 HydrophobicContact CB-CD1 3.96Å; G156-I159 WeakPolarHBondContact O-CB 3.44Å; G156-I159 WeakPolarHBondContact O-CG2 3.47Å; G156-I159 PolarHBondContact O-N 3.33Å; G156-I159 VanDerWaalsContact O-N 3.08Å; I159-E161 PolarHBondContact O-N 2.96Å; I159-R162 VanDerWaalsContact O-CB 3.32Å; I159-R162 WeakPolarHBondContact O-CB 3.47Å; I159-R162 PolarHBondContact O-N 3.32Å; I159-V165 HydrophobicContact CD1-CG1 4.24Å; I159-V165 HydrophobicContact CD1-CG2 4.4Å; I159-V165 HydrophobicContact CG1-CG2 3.92Å
160S82.2Confident89.8Confident104 Ų10477.2 Ų77.273%0.72741%0.41SS*.G310 helixtrans-66.3-16.4175.4520000113.4C158 R162C158-S160 PolarHBondContact O-N 3.09Å; S160-R162 VanDerWaalsContact C-N 3.26Å
161E86.2Confident89.8Confident126 Ų12679.1 Ų79.159%0.58942%0.419SS*.G310 helixtrans-81.4-8.2174.4-55174-170.400112.1C158 I159C158-E161 HydrophobicContact CB-CG 4.23Å; C158-E161 VanDerWaalsContact O-CB 3.32Å; C158-E161 WeakPolarHBondContact O-CB 3.24Å; C158-E161 PolarHBondContact O-N 3.12Å; C158-E161 VanDerWaalsContact O-N 3.09Å; C158-E161 PolarHBondContact SG-OE1 2.82Å; I159-E161 PolarHBondContact O-N 2.96Å
162R87.8Confident89.9Confident52 Ų5278.3 Ų78.320%0.19641%0.414CS..  trans-81.6127.2176.5-68-177.454.6-160.7-8.7109.9R68 Y69 L144 I159 S160 D164 V165R68-R162 HydrophobicContact CB-CG 4.49Å; R68-R162 WeakPolarHBondContact O-CD 3.41Å; Y69-R162 VanDerWaalsContact CD1-NH1 3.27Å; Y69-R162 VanDerWaalsContact CE1-NH1 3.29Å; L144-R162 PolarHBondContact O-NH1 3.06Å; I159-R162 VanDerWaalsContact O-CB 3.32Å; I159-R162 WeakPolarHBondContact O-CB 3.47Å; I159-R162 PolarHBondContact O-N 3.32Å; S160-R162 VanDerWaalsContact C-N 3.26Å; R162-D164 VanDerWaalsContact C-N 3.33Å; R162-D164 PolarHBondContact NH2-O 3.35Å; R162-V165 HydrophobicContact CB-CG2 4.05Å
163Q81.7Confident90.1Very high189 Ų18976 Ų7688%0.88340%0.402SS*.SBendtrans-63.8-40.5175.3-69.6176.9-15.500111.6
164D86.4Confident90.5Very high132 Ų13268.7 Ų68.771%0.70637%0.369SS*.  trans-122.999.2-177.5-55.2-47000110.5R162R162-D164 VanDerWaalsContact C-N 3.33Å; R162-D164 PolarHBondContact NH2-O 3.35Å
165V88.8Confident90.8Very high51 Ų5162.8 Ų62.831%0.30934%0.341SS..  trans-93.9114166.5179.90000107.3A146 I159 R162A146-V165 HydrophobicContact CB-CG1 4.06Å; I159-V165 HydrophobicContact CD1-CG1 4.24Å; I159-V165 HydrophobicContact CD1-CG2 4.4Å; I159-V165 HydrophobicContact CG1-CG2 3.92Å; R162-V165 HydrophobicContact CB-CG2 4.05Å
166P91.2Very high91.1Very high49 Ų4962.3 Ų62.332%0.31834%0.337SS..  trans-64.2154178.8-22.534.2000112.6L144 I145 E168L144-P166 HydrophobicContact CB-CG 4.33Å; L144-P166 HydrophobicContact CD1-CG 4.41Å; I145-P166 WeakPolarHBondContact CG2-O 3.5Å; P166-E168 WeakPolarHBondContact CB-O 3.4Å
167D89.4Confident91.5Very high165 Ų16563.3 Ų63.388%0.88234%0.342SS*.SBendtrans-81.3-25.1168.6-64.5-40.6000112.1
168E92.5Very high91.9Very high160 Ų16068.7 Ų68.775%0.74835%0.35SS*.SBendtrans-103147.9179.6-66.7-174.5179.900112.1I145 P166I145-E168 VanDerWaalsContact CG2-C 3.48Å; I145-E168 WeakPolarHBondContact CG2-O 3.45Å; P166-E168 WeakPolarHBondContact CB-O 3.4Å
169E94.5Very high92.3Very high33 Ų3370.3 Ų70.315%0.15436%0.357CS..PPolyproline II helixtrans-77.6162.8178.5-173.258.1-82.800112.2R72 S143 L144 I145 Y172 W189R72-E169 IonicContact NH1-OE2 3.93Å; R72-E169 PolarHBondContact NH1-OE2 3.48Å; S143-E169 VanDerWaalsContact CB-OE2 3.29Å; S143-E169 WeakPolarHBondContact CB-OE2 3.22Å; S143-E169 PolarHBondContact OG-OE2 3.1Å; L144-E169 PolarHBondContact N-OE1 3.2Å; I145-E169 HydrophobicContact CG2-CB 4.49Å; E169-Y172 HydrophobicContact CG-CD2 4.21Å; E169-Y172 HydrophobicContact CG-CE2 3.32Å; E169-Y172 PolarHBondContact OE2-OH 2.9Å; E169-W189 HydrophobicContact CB-CH2 3.97Å; E169-W189 HydrophobicContact CB-CZ2 3.95Å; E169-W189 HydrophobicContact CG-CH2 3.63Å; E169-W189 HydrophobicContact CG-CZ2 3.8Å; E169-W189 HydrophobicContact CG-CZ3 4.38Å
170M93.8Very high92.9Very high23 Ų2370.2 Ų70.211%0.11336%0.357CS..PPolyproline II helixtrans-68151.8172.669.7-172.789.500113.2L111 R142 L144 Y172L111-M170 HydrophobicContact CD2-CE 4.17Å; L111-M170 HydrophobicContact CD2-SD 3.34Å; L111-M170 WeakPolarHBondContact CD2-SD 3.4Å; R142-M170 HydrophobicContact CG-CE 4.42Å; R142-M170 VanDerWaalsContact O-CE 3.31Å; R142-M170 WeakPolarHBondContact O-CE 3.4Å; L144-M170 HydrophobicContact CD1-CB 3.71Å; L144-M170 HydrophobicContact CD2-CE 3.86Å; L144-M170 HydrophobicContact CG-CB 4Å; L144-M170 HydrophobicContact CG-CE 3.63Å; M170-Y172 VanDerWaalsContact C-N 3.32Å; M170-Y172 HydrophobicContact CE-CE1 4.31Å; M170-Y172 HydrophobicContact CG-CD1 3.95Å; M170-Y172 HydrophobicContact CG-CD2 4.26Å; M170-Y172 HydrophobicContact CG-CE1 3.76Å; M170-Y172 HydrophobicContact CG-CE2 4.13Å; M170-Y172 HydrophobicContact CG-CG 4.19Å; M170-Y172 WeakPolarHBondContact O-CD2 3.32Å; M170-Y172 PolarHBondContact O-N 3.24Å; M170-Y172 HydrophobicContact SD-CD1 4.2Å; M170-Y172 HydrophobicContact SD-CE1 3.86Å
171D96.1Very high93.6Very high47 Ų4767.1 Ų67.125%0.25133%0.334SS..  trans-74.483.7170-173.7-10.7000111V173 S174 A175 S345D171-V173 PolarHBondContact O-N 3.36Å; D171-V173 WeakPolarHBondContact OD1-CB 3.47Å; D171-V173 PolarHBondContact OD1-N 3.15Å; D171-S174 VanDerWaalsContact CG-CB 3.43Å; D171-S174 VanDerWaalsContact CG-OG 3.25Å; D171-S174 PolarHBondContact O-N 3.3Å; D171-S174 PolarHBondContact OD1-N 3.32Å; D171-S174 WeakPolarHBondContact OD2-CB 3.42Å; D171-S174 PolarHBondContact OD2-OG 3.5Å; D171-A175 WeakPolarHBondContact O-CB 3.49Å; D171-A175 PolarHBondContact O-N 2.9Å; D171-S345 VanDerWaalsContact OD2-CB 3.3Å; D171-S345 WeakPolarHBondContact OD2-CB 3.29Å; D171-S345 PolarHBondContact OD2-OG 3.47Å
172Y97.9Very high94.1Very high0 Ų066.8 Ų66.80%033%0.328CS..Hα-helixtrans-55.5-37.4176.7-67.4-77000112.3I74 L111 S141 R142 E169 M170 A175 L176 W189I74-Y172 HydrophobicContact CD1-CD1 3.98Å; I74-Y172 HydrophobicContact CD1-CE1 3.92Å; I74-Y172 HydrophobicContact CD1-CE2 4.42Å; I74-Y172 HydrophobicContact CD1-CG 4.3Å; I74-Y172 HydrophobicContact CG2-CE2 4.44Å; L111-Y172 HydrophobicContact CD1-CD1 4.09Å; L111-Y172 HydrophobicContact CD2-CD1 3.99Å; L111-Y172 HydrophobicContact CD2-CE1 3.9Å; S141-Y172 WeakPolarHBondContact OG-CE1 3.43Å; R142-Y172 PolarHBondContact O-OH 3.48Å; E169-Y172 HydrophobicContact CG-CD2 4.21Å; E169-Y172 HydrophobicContact CG-CE2 3.32Å; E169-Y172 PolarHBondContact OE2-OH 2.9Å; M170-Y172 VanDerWaalsContact C-N 3.32Å; M170-Y172 HydrophobicContact CE-CE1 4.31Å; M170-Y172 HydrophobicContact CG-CD1 3.95Å; M170-Y172 HydrophobicContact CG-CD2 4.26Å; M170-Y172 HydrophobicContact CG-CE1 3.76Å; M170-Y172 HydrophobicContact CG-CE2 4.13Å; M170-Y172 HydrophobicContact CG-CG 4.19Å; M170-Y172 WeakPolarHBondContact O-CD2 3.32Å; M170-Y172 PolarHBondContact O-N 3.24Å; M170-Y172 HydrophobicContact SD-CD1 4.2Å; M170-Y172 HydrophobicContact SD-CE1 3.86Å; Y172-A175 PolarHBondContact O-N 3.11Å; Y172-L176 VanDerWaalsContact O-CB 3.29Å; Y172-L176 WeakPolarHBondContact O-CB 3.39Å; Y172-L176 WeakPolarHBondContact O-CG 3.45Å; Y172-L176 PolarHBondContact O-N 3.41Å; Y172-W189 HydrophobicContact CD2-CB 4.38Å; Y172-W189 AromaticContact CD2-CD2 3.41Å; Y172-W189 HydrophobicContact CD2-CD2 3.41Å; Y172-W189 VanDerWaalsContact CD2-CD2 3.41Å; Y172-W189 AromaticContact CD2-CE2 3.66Å; Y172-W189 AromaticContact CD2-CE3 3.7Å; Y172-W189 HydrophobicContact CD2-CE3 3.7Å; Y172-W189 AromaticContact CD2-CG 3.72Å; Y172-W189 HydrophobicContact CD2-CG 3.72Å; Y172-W189 HydrophobicContact CD2-CH2 4.45Å; Y172-W189 HydrophobicContact CD2-CZ2 4.18Å; Y172-W189 HydrophobicContact CD2-CZ3 4.22Å; Y172-W189 AromaticContact CE2-CD2 3.86Å; Y172-W189 HydrophobicContact CE2-CD2 3.86Å; Y172-W189 AromaticContact CE2-CE3 3.68Å; Y172-W189 HydrophobicContact CE2-CE3 3.68Å; Y172-W189 HydrophobicContact CE2-CH2 4.03Å; Y172-W189 HydrophobicContact CE2-CZ2 4.15Å; Y172-W189 AromaticContact CE2-CZ3 3.78Å; Y172-W189 HydrophobicContact CE2-CZ3 3.78Å; Y172-W189 HydrophobicContact CG-CD2 4.44Å; Y172-W189 HydrophobicContact CG-CG 4.37Å
173V98.5Very high94.5Very high0 Ų065.3 Ų65.30%032%0.324CS..Hα-helixtrans-64.7-52.1-176.1-175.60000109.8D171 N177 V186 T344 A348 L352D171-V173 PolarHBondContact O-N 3.36Å; D171-V173 WeakPolarHBondContact OD1-CB 3.47Å; D171-V173 PolarHBondContact OD1-N 3.15Å; V173-N177 WeakPolarHBondContact CG1-ND2 3.49Å; V173-N177 VanDerWaalsContact O-CB 3.26Å; V173-N177 WeakPolarHBondContact O-CB 3.49Å; V173-N177 PolarHBondContact O-N 3.1Å; V173-N177 PolarHBondContact O-ND2 3.03Å; V173-V186 HydrophobicContact CB-CG1 4.49Å; V173-V186 HydrophobicContact CG1-CB 4.42Å; V173-V186 HydrophobicContact CG1-CG1 4.39Å; V173-V186 VanDerWaalsContact CG1-O 3.27Å; V173-V186 WeakPolarHBondContact CG1-O 3.31Å; V173-V186 HydrophobicContact CG2-CG1 4.11Å; V173-T344 HydrophobicContact CG1-CG2 4.33Å; V173-T344 HydrophobicContact CG2-CG2 4.39Å; V173-A348 HydrophobicContact CB-CB 3.97Å; V173-A348 HydrophobicContact CG1-CB 3.75Å; V173-L352 HydrophobicContact CG1-CD1 4.38Å
174S97.6Very high95.3Very high14 Ų1456.3 Ų56.310%0.09828%0.281CS..Hα-helixtrans-63.5-43176.8-70.40000112.2D171 L176 R178D171-S174 VanDerWaalsContact CG-CB 3.43Å; D171-S174 VanDerWaalsContact CG-OG 3.25Å; D171-S174 PolarHBondContact O-N 3.3Å; D171-S174 PolarHBondContact OD1-N 3.32Å; D171-S174 WeakPolarHBondContact OD2-CB 3.42Å; D171-S174 PolarHBondContact OD2-OG 3.5Å; S174-L176 PolarHBondContact O-N 2.86Å; S174-R178 VanDerWaalsContact O-CG 3.29Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 3.21Å; S174-R178 PolarHBondContact O-NE 3.43Å
175A96.8Very high95.9Very high24 Ų2451.4 Ų51.420%0.19825%0.253CS..Hα-helixtrans-61.6-45.7-178.700000112.1S109 D171 Y172 N179S109-A175 PolarHBondContact OG-O 3.23Å; D171-A175 WeakPolarHBondContact O-CB 3.49Å; D171-A175 PolarHBondContact O-N 2.9Å; Y172-A175 PolarHBondContact O-N 3.11Å; A175-N179 PolarHBondContact O-ND2 2.79Å
176L98.4Very high96.4Very high1 Ų149 Ų491%0.00524%0.239CC..Hα-helixtrans-72.3-46.5-179.7-72.9169.5000112.1L76 A105 L106 L111 Y172 S174 R178 N179 L180 V186L76-L176 HydrophobicContact CD1-CD1 3.75Å; L76-L176 HydrophobicContact CD2-CD1 4.27Å; A105-L176 HydrophobicContact CB-CD2 4.11Å; L106-L176 HydrophobicContact CD2-CD1 4.28Å; L106-L176 HydrophobicContact CD2-CD2 3.78Å; L106-L176 HydrophobicContact CG-CD2 3.91Å; L111-L176 HydrophobicContact CD1-CD1 4.21Å; L111-L176 HydrophobicContact CD1-CD2 3.7Å; L111-L176 HydrophobicContact CD1-CG 3.79Å; Y172-L176 VanDerWaalsContact O-CB 3.29Å; Y172-L176 WeakPolarHBondContact O-CB 3.39Å; Y172-L176 WeakPolarHBondContact O-CG 3.45Å; Y172-L176 PolarHBondContact O-N 3.41Å; S174-L176 PolarHBondContact O-N 2.86Å; L176-R178 PolarHBondContact O-N 2.79Å; L176-N179 CarbonylContact O-C 3.52Å; L176-N179 WeakPolarHBondContact O-CA 3.28Å; L176-N179 PolarHBondContact O-N 2.95Å; L176-L180 HydrophobicContact CB-CD1 4.22Å; L176-L180 WeakPolarHBondContact O-CG 3.24Å; L176-L180 PolarHBondContact O-N 3.28Å; L176-V186 HydrophobicContact CB-CG2 3.79Å; L176-V186 HydrophobicContact CD1-CG2 3.8Å; L176-V186 HydrophobicContact CG-CG2 4.43Å
177N98.4Very high96.7Very high28 Ų2848.3 Ų48.315%0.1523%0.232CC..Hα-helixtrans-62.9-27-176.9-77.2-28.6000113.7V173 N179 R185 V186V173-N177 WeakPolarHBondContact CG1-ND2 3.49Å; V173-N177 VanDerWaalsContact O-CB 3.26Å; V173-N177 WeakPolarHBondContact O-CB 3.49Å; V173-N177 PolarHBondContact O-N 3.1Å; V173-N177 PolarHBondContact O-ND2 3.03Å; N177-N179 PolarHBondContact O-N 2.8Å; N177-R185 WeakPolarHBondContact OD1-CA 3.44Å; N177-V186 PolarHBondContact ND2-O 2.98Å; N177-V186 PolarHBondContact OD1-N 3.41Å
178R97.2Very high97.2Very high199 Ų19940.6 Ų40.675%0.75119%0.192SC*.THydrogen-bonded Turntrans-65.5-26.1171.7-73178-141.8159.14113.3S174 L176S174-R178 VanDerWaalsContact O-CG 3.29Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 3.21Å; S174-R178 PolarHBondContact O-NE 3.43Å; L176-R178 PolarHBondContact O-N 2.79Å
179N97.4Very high97.4Very high64 Ų6433.5 Ų33.534%0.34216%0.158SC..THydrogen-bonded Turntrans-103.7-10.4-176.8-70.9-74.9000113.4A105 S109 A175 L176 N177A105-N179 HydrophobicContact CB-CB 3.85Å; S109-N179 PolarHBondContact OG-ND2 2.76Å; A175-N179 PolarHBondContact O-ND2 2.79Å; L176-N179 CarbonylContact O-C 3.52Å; L176-N179 WeakPolarHBondContact O-CA 3.28Å; L176-N179 PolarHBondContact O-N 2.95Å; N177-N179 PolarHBondContact O-N 2.8Å
180L98.1Very high97.6Very high14 Ų1432 Ų327%0.07315%0.151CC..SBendtrans-88.1144.6-179-75.3168000112.6I102 A105 L176 I184 R185 V186I102-L180 HydrophobicContact CG1-CD2 4.15Å; A105-L180 HydrophobicContact CB-CD2 3.65Å; A105-L180 HydrophobicContact CB-CG 3.79Å; L176-L180 HydrophobicContact CB-CD1 4.22Å; L176-L180 WeakPolarHBondContact O-CG 3.24Å; L176-L180 PolarHBondContact O-N 3.28Å; L180-I184 HydrophobicContact CD1-CG2 4.25Å; L180-I184 HydrophobicContact CD2-CB 4.34Å; L180-I184 HydrophobicContact CD2-CG2 3.97Å; L180-R185 PolarHBondContact O-NH1 3.07Å; L180-V186 HydrophobicContact CD1-CG2 3.83Å
181P97.1Very high97.8Very high39 Ų3931.7 Ų31.725%0.25315%0.15SC..  trans-62.8160.1171.631.4-36.8000111.2Y85 R101 D183 I184 R185Y85-P181 WeakPolarHBondContact OH-CG 3.4Å; R101-P181 HydrophobicContact CB-CG 4.21Å; R101-P181 HydrophobicContact CG-CG 4.06Å; P181-D183 WeakPolarHBondContact CB-OD1 3.25Å; P181-D183 WeakPolarHBondContact CG-OD1 3.3Å; P181-D183 PolarHBondContact O-N 2.85Å; P181-I184 HydrophobicContact CG-CB 4.33Å; P181-I184 HydrophobicContact CG-CD1 3.9Å; P181-I184 HydrophobicContact CG-CG1 4.17Å; P181-I184 PolarHBondContact O-N 2.87Å; P181-I184 VanDerWaalsContact O-N 3.1Å; P181-I184 VanDerWaalsContact O-O 3.04Å; P181-R185 PolarHBondContact O-NH1 3.08Å
182R96.2Very high97.8Very high118 Ų11829.5 Ų29.545%0.44514%0.139SC..THydrogen-bonded Turntrans-61.6-20.8-171.182.2-179.1-168.4163.610115H355 E362R182-H355 PolarHBondContact O-CE1 3.46Å; R182-H355 PolarHBondContact O-NE2 3.47Å; R182-E362 IonicContact CZ-OE1 2.88Å; R182-E362 IonicContact CZ-OE2 2.68Å; R182-E362 IonicContact NH1-OE1 3.38Å; R182-E362 PolarHBondContact NH1-OE1 2.87Å; R182-E362 IonicContact NH1-OE2 3.45Å; R182-E362 PolarHBondContact NH1-OE2 2.74Å; R182-E362 IonicContact NH2-OE1 2.69Å; R182-E362 PolarHBondContact NH2-OE1 2.92Å; R182-E362 IonicContact NH2-OE2 3.78Å; R182-E362 PolarHBondContact NH2-OE2 2.9Å
183D96.9Very high97.7Very high21 Ų2131.9 Ų31.911%0.11216%0.156CC..THydrogen-bonded Turntrans-94.35-177.1514.2000112.9Y80 L81 Y85 P181Y80-D183 CarbonylContact C-O 3.57Å; Y80-D183 WeakPolarHBondContact CA-O 3.36Å; Y80-D183 WeakPolarHBondContact CB-O 3.4Å; L81-D183 HydrophobicContact CB-CB 4.14Å; L81-D183 PolarHBondContact N-O 3.44Å; Y85-D183 HydrophobicContact CE2-CB 4.33Å; Y85-D183 VanDerWaalsContact CE2-CG 3.47Å; Y85-D183 VanDerWaalsContact CE2-OD2 3.22Å; Y85-D183 WeakPolarHBondContact CE2-OD2 3.27Å; Y85-D183 PolarHBondContact OH-OD1 3.23Å; Y85-D183 PolarHBondContact OH-OD2 3.03Å; P181-D183 WeakPolarHBondContact CB-OD1 3.25Å; P181-D183 WeakPolarHBondContact CG-OD1 3.3Å; P181-D183 PolarHBondContact O-N 2.85Å
184I98.4Very high97.4Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-132.3129.6173.9-56.2171.5000109.2S79 Y85 V98 R101 I102 L180 P181S79-I184 CarbonylContact O-C 3.59Å; Y85-I184 HydrophobicContact CE1-CD1 3.98Å; Y85-I184 HydrophobicContact CE2-CD1 4.11Å; Y85-I184 HydrophobicContact CE2-CG1 4.13Å; Y85-I184 WeakPolarHBondContact OH-CD1 3.44Å; V98-I184 HydrophobicContact CB-CD1 4.31Å; V98-I184 HydrophobicContact CG1-CD1 3.86Å; V98-I184 HydrophobicContact CG1-CG1 4.19Å; V98-I184 HydrophobicContact CG1-CG2 4.3Å; R101-I184 HydrophobicContact CB-CD1 3.52Å; R101-I184 HydrophobicContact CG-CD1 3.93Å; I102-I184 HydrophobicContact CD1-CG2 4.39Å; I102-I184 HydrophobicContact CG1-CG2 4.14Å; L180-I184 HydrophobicContact CD1-CG2 4.25Å; L180-I184 HydrophobicContact CD2-CB 4.34Å; L180-I184 HydrophobicContact CD2-CG2 3.97Å; P181-I184 HydrophobicContact CG-CB 4.33Å; P181-I184 HydrophobicContact CG-CD1 3.9Å; P181-I184 HydrophobicContact CG-CG1 4.17Å; P181-I184 PolarHBondContact O-N 2.87Å; P181-I184 VanDerWaalsContact O-N 3.1Å; P181-I184 VanDerWaalsContact O-O 3.04Å
185R98.6Very high97.1Very high29 Ų2941.8 Ų41.811%0.10921%0.212CC..EExtended strand (participates in β ladder)trans-134.8136.6178.6-63.9-65.8169.1-123.720.2111.6L78 S79 N177 L180 P181 L187 L352 H355L78-R185 CarbonylContact C-O 3.56Å; L78-R185 WeakPolarHBondContact CA-O 3.23Å; S79-R185 PolarHBondContact N-O 3.26Å; S79-R185 PolarHBondContact O-N 3.08Å; N177-R185 WeakPolarHBondContact OD1-CA 3.44Å; L180-R185 PolarHBondContact O-NH1 3.07Å; P181-R185 PolarHBondContact O-NH1 3.08Å; R185-L187 HydrophobicContact CB-CD2 4.3Å; R185-L352 HydrophobicContact CB-CD2 3.93Å; R185-L352 HydrophobicContact CG-CD2 4.18Å; R185-H355 PolarHBondContact NE-CD2 3.32Å; R185-H355 PolarHBondContact NE-CE1 3.34Å; R185-H355 VanDerWaalsContact NE-CE1 3.28Å; R185-H355 PolarHBondContact NE-ND1 3.05Å; R185-H355 PolarHBondContact NE-NE2 3.27Å; R185-H355 PolarHBondContact NH2-CE1 2.98Å; R185-H355 VanDerWaalsContact NH2-CE1 3.29Å; R185-H355 PolarHBondContact NH2-ND1 3.28Å
186V98.8Very high97.1Very high1 Ų141 Ų411%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-80.7125.8158.7-1760000107L76 K77 L78 V173 L176 N177 L180L76-V186 HydrophobicContact CD2-CG1 4.14Å; K77-V186 CarbonylContact O-C 3.5Å; K77-V186 WeakPolarHBondContact O-CA 3.44Å; L78-V186 HydrophobicContact CD2-CB 4.45Å; L78-V186 HydrophobicContact CD2-CG2 3.81Å; V173-V186 HydrophobicContact CB-CG1 4.49Å; V173-V186 HydrophobicContact CG1-CB 4.42Å; V173-V186 HydrophobicContact CG1-CG1 4.39Å; V173-V186 VanDerWaalsContact CG1-O 3.27Å; V173-V186 WeakPolarHBondContact CG1-O 3.31Å; V173-V186 HydrophobicContact CG2-CG1 4.11Å; L176-V186 HydrophobicContact CB-CG2 3.79Å; L176-V186 HydrophobicContact CD1-CG2 3.8Å; L176-V186 HydrophobicContact CG-CG2 4.43Å; N177-V186 PolarHBondContact ND2-O 2.98Å; N177-V186 PolarHBondContact OD1-N 3.41Å; L180-V186 HydrophobicContact CD1-CG2 3.83Å
187L98.6Very high97Very high34 Ų3441.9 Ų41.918%0.17821%0.21CC..EExtended strand (participates in β ladder)trans-91.9-40178.4-57.9-172.5000111.8K77 M133 R185 T344 L352 Y356K77-L187 HydrophobicContact CB-CB 4.35Å; K77-L187 HydrophobicContact CD-CB 4.2Å; K77-L187 HydrophobicContact CD-CD1 4.27Å; K77-L187 HydrophobicContact CG-CB 4.17Å; K77-L187 HydrophobicContact CG-CD1 4.27Å; K77-L187 PolarHBondContact O-N 2.66Å; M133-L187 VanDerWaalsContact O-CD1 3.23Å; M133-L187 WeakPolarHBondContact O-CD1 3.25Å; R185-L187 HydrophobicContact CB-CD2 4.3Å; L187-T344 WeakPolarHBondContact O-CG2 3.42Å; L187-T344 PolarHBondContact O-OG1 3.5Å; L187-L352 HydrophobicContact CD2-CD1 4.32Å; L187-L352 HydrophobicContact CD2-CD2 3.95Å; L187-Y356 HydrophobicContact CD2-CE2 4.14Å
188A98.6Very high97Very high4 Ų440.5 Ų40.53%0.03320%0.203CC..EExtended strand (participates in β ladder)trans-158163.8-176.900000109.9K77 W342 E343 T344K77-A188 HydrophobicContact CB-CB 4.17Å; K77-A188 PolarHBondContact N-O 3.15Å; A188-W342 HydrophobicContact CB-CB 4.09Å; A188-W342 HydrophobicContact CB-CD2 4.32Å; A188-W342 HydrophobicContact CB-CE3 3.82Å; A188-W342 HydrophobicContact CB-CG 4.47Å; A188-E343 WeakPolarHBondContact CA-O 3.42Å; A188-T344 WeakPolarHBondContact CA-OG1 3.41Å; A188-T344 VanDerWaalsContact CB-OG1 3.25Å; A188-T344 WeakPolarHBondContact CB-OG1 3.42Å
189W98.5Very high96.9Very high11 Ų1136.3 Ų36.34%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-125.3166.4168.476.8-77.3000110.1I74 A75 L76 E169 Y172 P191 W342 E343I74-W189 HydrophobicContact CB-CE3 4.3Å; I74-W189 HydrophobicContact CG2-CE3 3.95Å; I74-W189 HydrophobicContact CG2-CZ3 3.98Å; A75-W189 CarbonylContact O-C 3.59Å; A75-W189 WeakPolarHBondContact O-CA 3.46Å; L76-W189 HydrophobicContact CD2-CB 3.68Å; E169-W189 HydrophobicContact CB-CH2 3.97Å; E169-W189 HydrophobicContact CB-CZ2 3.95Å; E169-W189 HydrophobicContact CG-CH2 3.63Å; E169-W189 HydrophobicContact CG-CZ2 3.8Å; E169-W189 HydrophobicContact CG-CZ3 4.38Å; Y172-W189 HydrophobicContact CD2-CB 4.38Å; Y172-W189 AromaticContact CD2-CD2 3.41Å; Y172-W189 HydrophobicContact CD2-CD2 3.41Å; Y172-W189 VanDerWaalsContact CD2-CD2 3.41Å; Y172-W189 AromaticContact CD2-CE2 3.66Å; Y172-W189 AromaticContact CD2-CE3 3.7Å; Y172-W189 HydrophobicContact CD2-CE3 3.7Å; Y172-W189 AromaticContact CD2-CG 3.72Å; Y172-W189 HydrophobicContact CD2-CG 3.72Å; Y172-W189 HydrophobicContact CD2-CH2 4.45Å; Y172-W189 HydrophobicContact CD2-CZ2 4.18Å; Y172-W189 HydrophobicContact CD2-CZ3 4.22Å; Y172-W189 AromaticContact CE2-CD2 3.86Å; Y172-W189 HydrophobicContact CE2-CD2 3.86Å; Y172-W189 AromaticContact CE2-CE3 3.68Å; Y172-W189 HydrophobicContact CE2-CE3 3.68Å; Y172-W189 HydrophobicContact CE2-CH2 4.03Å; Y172-W189 HydrophobicContact CE2-CZ2 4.15Å; Y172-W189 AromaticContact CE2-CZ3 3.78Å; Y172-W189 HydrophobicContact CE2-CZ3 3.78Å; Y172-W189 HydrophobicContact CG-CD2 4.44Å; Y172-W189 HydrophobicContact CG-CG 4.37Å; W189-P191 HydrophobicContact CZ3-CB 4.02Å; W189-P191 HydrophobicContact CZ3-CG 4.29Å; W189-W342 CarbonylContact O-C 3.58Å; W189-W342 WeakPolarHBondContact O-CA 3.23Å; W189-E343 HydrophobicContact CZ2-CB 4.39Å; W189-E343 WeakPolarHBondContact CZ2-OE2 3.17Å; W189-E343 PolarHBondContact N-O 2.83Å; W189-E343 PolarHBondContact O-N 2.95Å
190S98Very high96.7Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-148.8137174.9-173.90000110.2I74 A75 N341I74-S190 CarbonylContact C-O 3.46Å; I74-S190 VanDerWaalsContact CA-O 3.31Å; I74-S190 WeakPolarHBondContact CA-O 3.46Å; A75-S190 PolarHBondContact N-O 2.98Å; A75-S190 PolarHBondContact O-N 3.27Å; S190-N341 WeakPolarHBondContact CA-O 3.4Å; S190-N341 WeakPolarHBondContact CB-O 3.44Å; S190-N341 PolarHBondContact OG-N 3.44Å; S190-N341 PolarHBondContact OG-O 3.45Å
191P97.5Very high96.6Very high17 Ų1743.2 Ų43.211%0.1122%0.216CC..EExtended strand (participates in β ladder)trans-71.8134.316632.1-34.4000110.2R72 V149 W189R72-P191 VanDerWaalsContact CZ-CB 3.48Å; V149-P191 HydrophobicContact CB-CB 4.21Å; V149-P191 HydrophobicContact CG1-CB 4.36Å; W189-P191 HydrophobicContact CZ3-CB 4.02Å; W189-P191 HydrophobicContact CZ3-CG 4.29Å
192V97.5Very high96.6Very high1 Ų141.8 Ų41.81%0.00621%0.206CC..  trans-127.1160.2-176.7-63.60000111.3H73 A75 G150 F196 L340H73-V192 HydrophobicContact CB-CG2 4.05Å; H73-V192 WeakPolarHBondContact O-CG2 3.38Å; H73-V192 PolarHBondContact O-N 3Å; A75-V192 HydrophobicContact CB-CG1 3.68Å; G150-V192 WeakPolarHBondContact CA-O 3.47Å; G150-V192 PolarHBondContact N-O 2.59Å; V192-F196 HydrophobicContact CB-CB 3.64Å; V192-F196 HydrophobicContact CB-CD1 3.92Å; V192-F196 HydrophobicContact CB-CD2 4.34Å; V192-F196 HydrophobicContact CB-CG 3.7Å; V192-F196 HydrophobicContact CG1-CB 4.44Å; V192-F196 HydrophobicContact CG1-CD1 3.92Å; V192-F196 HydrophobicContact CG1-CD2 4.29Å; V192-F196 HydrophobicContact CG1-CE1 4.24Å; V192-F196 HydrophobicContact CG1-CG 3.95Å; V192-F196 HydrophobicContact CG2-CB 3.8Å; V192-F196 HydrophobicContact CG2-CD1 3.83Å; V192-F196 HydrophobicContact CG2-CG 4Å; V192-L340 HydrophobicContact CG1-CD2 3.79Å
193S95.1Very high96.6Very high51 Ų5139.7 Ų39.736%0.35721%0.209SC..  trans-62.3154.5173.761.80000110.9H73 D195 F196H73-S193 PolarHBondContact ND1-O 3.38Å; S193-D195 PolarHBondContact O-N 3.11Å; S193-F196 VanDerWaalsContact O-CB 3.29Å; S193-F196 WeakPolarHBondContact O-CB 3.26Å; S193-F196 PolarHBondContact O-N 3.44Å; S193-F196 PolarHBondContact OG-N 3.35Å
194P91Very high96.7Very high85 Ų8542.1 Ų42.155%0.55222%0.219SC*.THydrogen-bonded Turntrans-52.3-36.2173.9-28.436.7000113.2H73 F196H73-P194 PolarHBondContact ND1-O 3.17Å; P194-F196 VanDerWaalsContact C-N 3.31Å; P194-F196 PolarHBondContact O-N 2.88Å
195D92.9Very high96.6Very high137 Ų13743.9 Ų43.973%0.73323%0.225SC*.THydrogen-bonded Turntrans-830.9-178.7-52-48000114.5S193 S197 M201S193-D195 PolarHBondContact O-N 3.11Å; D195-S197 PolarHBondContact O-N 3.25Å; D195-M201 WeakPolarHBondContact O-CE 3.42Å
196F96.6Very high96.6Very high6 Ų643.3 Ų43.33%0.02623%0.226CC..  trans-66129.5-177.7177.9-94.3000111.4H73 A75 V192 S193 P194 A198 M201 Y335 C339 L340H73-F196 PolarHBondContact CE1-O 2.85Å; A75-F196 HydrophobicContact CB-CE1 4.1Å; V192-F196 HydrophobicContact CB-CB 3.64Å; V192-F196 HydrophobicContact CB-CD1 3.92Å; V192-F196 HydrophobicContact CB-CD2 4.34Å; V192-F196 HydrophobicContact CB-CG 3.7Å; V192-F196 HydrophobicContact CG1-CB 4.44Å; V192-F196 HydrophobicContact CG1-CD1 3.92Å; V192-F196 HydrophobicContact CG1-CD2 4.29Å; V192-F196 HydrophobicContact CG1-CE1 4.24Å; V192-F196 HydrophobicContact CG1-CG 3.95Å; V192-F196 HydrophobicContact CG2-CB 3.8Å; V192-F196 HydrophobicContact CG2-CD1 3.83Å; V192-F196 HydrophobicContact CG2-CG 4Å; S193-F196 VanDerWaalsContact O-CB 3.29Å; S193-F196 WeakPolarHBondContact O-CB 3.26Å; S193-F196 PolarHBondContact O-N 3.44Å; S193-F196 PolarHBondContact OG-N 3.35Å; P194-F196 VanDerWaalsContact C-N 3.31Å; P194-F196 PolarHBondContact O-N 2.88Å; F196-A198 HydrophobicContact CE1-CB 4.15Å; F196-M201 HydrophobicContact CB-SD 4.41Å; F196-M201 HydrophobicContact CD2-SD 3.52Å; F196-M201 VanDerWaalsContact CD2-SD 3.52Å; F196-M201 HydrophobicContact CE2-CB 4.38Å; F196-M201 HydrophobicContact CE2-SD 4.14Å; F196-M201 HydrophobicContact CG-SD 4.27Å; F196-Y335 HydrophobicContact CE2-CD1 4.02Å; F196-Y335 HydrophobicContact CE2-CE1 4.22Å; F196-Y335 HydrophobicContact CZ-CD1 4.04Å; F196-Y335 AromaticContact CZ-CE1 3.82Å; F196-Y335 HydrophobicContact CZ-CE1 3.82Å; F196-C339 HydrophobicContact CD2-CB 4.14Å; F196-C339 HydrophobicContact CE2-CB 3.95Å; F196-L340 HydrophobicContact CE1-CD2 4.4Å; F196-L340 HydrophobicContact CE2-CD2 4.1Å; F196-L340 HydrophobicContact CE2-CG 4.18Å; F196-L340 HydrophobicContact CZ-CD1 4.33Å; F196-L340 HydrophobicContact CZ-CD2 3.8Å; F196-L340 HydrophobicContact CZ-CG 4.2Å
197S96.4Very high96.6Very high20 Ų2044.2 Ų44.214%0.1423%0.229CC..  trans-122.8120169.7-179.40000110.2D195 R199 F200 M201D195-S197 PolarHBondContact O-N 3.25Å; S197-R199 PolarHBondContact O-N 3.04Å; S197-R199 VanDerWaalsContact O-N 3.15Å; S197-R199 PolarHBondContact OG-N 3.36Å; S197-F200 PolarHBondContact O-N 3.39Å; S197-F200 VanDerWaalsContact OG-CD2 3.28Å; S197-F200 WeakPolarHBondContact OG-CD2 3.3Å; S197-F200 PolarHBondContact OG-N 3.42Å; S197-M201 WeakPolarHBondContact O-CB 2.99Å; S197-M201 PolarHBondContact O-N 3.22Å
198A97.3Very high96.6Very high0 Ų043.6 Ų43.60%023%0.226CC..THydrogen-bonded Turntrans-55.3-34.1173.100000111S121 C123 V136 F196 C202 Y335S121-A198 WeakPolarHBondContact OG-CB 3.47Å; S121-A198 PolarHBondContact OG-N 2.72Å; C123-A198 VanDerWaalsContact CA-O 3.31Å; C123-A198 WeakPolarHBondContact CA-O 3.24Å; V136-A198 HydrophobicContact CG1-CB 4.05Å; F196-A198 HydrophobicContact CE1-CB 4.15Å; A198-C202 WeakPolarHBondContact O-CB 3.19Å; A198-Y335 VanDerWaalsContact O-CE1 3.29Å; A198-Y335 WeakPolarHBondContact O-CE1 3.29Å; A198-Y335 PolarHBondContact O-OH 2.85Å
199R95.5Very high96.6Very high110 Ų11043.5 Ų43.542%0.41522%0.224SC..THydrogen-bonded Turntrans-73.8-57.4178.3-171.8176.5177172.9-2.4112.3V122 S197 R205V122-R199 WeakPolarHBondContact O-CA 3.46Å; V122-R199 VanDerWaalsContact O-CB 3.28Å; V122-R199 WeakPolarHBondContact O-CB 3.21Å; S197-R199 PolarHBondContact O-N 3.04Å; S197-R199 VanDerWaalsContact O-N 3.15Å; S197-R199 PolarHBondContact OG-N 3.36Å; R199-R205 PolarHBondContact O-NH2 3.04Å
200F93.7Very high96.6Very high163 Ų16346 Ų4672%0.71523%0.234SC*.THydrogen-bonded Turntrans-84.9-23.9-164.1-61.1-62.5000113.6S197S197-F200 PolarHBondContact O-N 3.39Å; S197-F200 VanDerWaalsContact OG-CD2 3.28Å; S197-F200 WeakPolarHBondContact OG-CD2 3.3Å; S197-F200 PolarHBondContact OG-N 3.42Å
201M96Very high96.4Very high61 Ų6146 Ų4630%0.323%0.234SC..SBendtrans-87.3-5.2175.5-64.5-169.8170.600113.6D195 F196 S197 Y335 P336D195-M201 WeakPolarHBondContact O-CE 3.42Å; F196-M201 HydrophobicContact CB-SD 4.41Å; F196-M201 HydrophobicContact CD2-SD 3.52Å; F196-M201 VanDerWaalsContact CD2-SD 3.52Å; F196-M201 HydrophobicContact CE2-CB 4.38Å; F196-M201 HydrophobicContact CE2-SD 4.14Å; F196-M201 HydrophobicContact CG-SD 4.27Å; S197-M201 WeakPolarHBondContact O-CB 2.99Å; S197-M201 PolarHBondContact O-N 3.22Å; M201-Y335 HydrophobicContact CB-CD1 4.12Å; M201-Y335 HydrophobicContact CB-CE1 4.49Å; M201-Y335 WeakPolarHBondContact O-CD1 3.2Å; M201-P336 WeakPolarHBondContact O-CD 3.39Å
202C97.1Very high96.3Very high8 Ų846 Ų465%0.05423%0.234CC..  trans-78.6123.2176.8177.20000110.8C123 A198 K204 R205 T334 Y335C123-C202 PolarHBondContact SG-SG 3.39Å; A198-C202 WeakPolarHBondContact O-CB 3.19Å; C202-K204 PolarHBondContact SG-O 2.87Å; C202-R205 PolarHBondContact O-NH1 2.66Å; C202-R205 VanDerWaalsContact SG-CZ 3.53Å; C202-R205 PolarHBondContact SG-NE 2.83Å; C202-T334 CarbonylContact C-O 3.6Å; C202-T334 WeakPolarHBondContact CA-O 3.09Å; C202-Y335 HydrophobicContact CB-CD1 4.14Å; C202-Y335 HydrophobicContact CB-CE1 3.58Å; C202-Y335 HydrophobicContact CB-CE2 4.4Å
203C96.1Very high96Very high74 Ų7447.3 Ų47.350%0.524%0.24SC..  trans-92.7-29.1-176.2-520000113.2T334C203-T334 PolarHBondContact N-O 3.29Å
204K97.6Very high95.7Very high73 Ų7344.9 Ų44.932%0.31722%0.223SC..EExtended strand (participates in β ladder)trans-144.1138.2-177.1-179.2177.578.4174.60110.5C202 F254 A277 G333 T334C202-K204 PolarHBondContact SG-O 2.87Å; K204-F254 HydrophobicContact CB-CE2 4.05Å; K204-F254 HydrophobicContact CD-CD2 3.87Å; K204-F254 HydrophobicContact CD-CE2 4.22Å; K204-F254 HydrophobicContact CG-CD2 3.83Å; K204-F254 HydrophobicContact CG-CE2 3.83Å; K204-A277 CarbonylContact C-O 3.58Å; K204-A277 WeakPolarHBondContact CA-O 3.48Å; K204-G333 CarbonylContact O-C 3.59Å; K204-G333 VanDerWaalsContact O-CA 3.29Å; K204-G333 WeakPolarHBondContact O-CA 3.29Å; K204-T334 VanDerWaalsContact CE-OG1 3.28Å; K204-T334 WeakPolarHBondContact CE-OG1 3.37Å; K204-T334 PolarHBondContact O-N 3.36Å
205R98.1Very high95.6Very high36 Ų3643.2 Ų43.214%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-115.4136.4168.9-70.781.5167.2165.111109.1C123 R199 C202 Y207 S276 A277 S278 F280 F330C123-R205 PolarHBondContact O-NE 3.31Å; C123-R205 PolarHBondContact O-NH2 3.05Å; R199-R205 PolarHBondContact O-NH2 3.04Å; C202-R205 PolarHBondContact O-NH1 2.66Å; C202-R205 VanDerWaalsContact SG-CZ 3.53Å; C202-R205 PolarHBondContact SG-NE 2.83Å; R205-Y207 HydrophobicContact CB-CE2 4.44Å; R205-S276 WeakPolarHBondContact O-CA 3.47Å; R205-A277 PolarHBondContact N-O 3.33Å; R205-A277 PolarHBondContact O-N 2.91Å; R205-S278 PolarHBondContact NH1-O 3Å; R205-F280 HydrophobicContact CB-CD2 4.17Å; R205-F280 HydrophobicContact CB-CE2 3.86Å; R205-F280 WeakPolarHBondContact O-CE2 3.44Å; R205-F330 HydrophobicContact CB-CE2 4.11Å; R205-F330 HydrophobicContact CG-CE2 3.99Å
206S98.3Very high95.6Very high18 Ų1837.2 Ų37.213%0.12619%0.189CC..EExtended strand (participates in β ladder)trans-118.9137.3176-65.30000110.4I275 S276 I331 A332S206-I275 WeakPolarHBondContact CA-O 3.33Å; S206-S276 WeakPolarHBondContact OG-CB 3.33Å; S206-I331 WeakPolarHBondContact O-CB 3.08Å; S206-I331 PolarHBondContact O-N 3.05Å; S206-A332 PolarHBondContact N-O 2.9Å
207Y98.7Very high95.6Very high19 Ų1940.4 Ų40.48%0.07521%0.206CC..EExtended strand (participates in β ladder)trans-129.6152.3173.8-76.6-100.4000110.2T126 V130 R205 S274 I275 F280 I285 L328 L329 F330T126-Y207 HydrophobicContact CG2-CE1 4.5Å; V130-Y207 HydrophobicContact CG1-CE1 4.48Å; R205-Y207 HydrophobicContact CB-CE2 4.44Å; Y207-S274 CarbonylContact O-C 3.31Å; Y207-S274 WeakPolarHBondContact O-CA 3.48Å; Y207-I275 PolarHBondContact N-O 3.4Å; Y207-I275 PolarHBondContact O-N 3.34Å; Y207-F280 AromaticContact CD2-CD2 3.77Å; Y207-F280 HydrophobicContact CD2-CD2 3.77Å; Y207-F280 AromaticContact CD2-CE2 3.42Å; Y207-F280 HydrophobicContact CD2-CE2 3.42Å; Y207-F280 VanDerWaalsContact CD2-CE2 3.42Å; Y207-F280 HydrophobicContact CD2-CZ 4.06Å; Y207-F280 AromaticContact CE2-CD2 3.5Å; Y207-F280 HydrophobicContact CE2-CD2 3.5Å; Y207-F280 AromaticContact CE2-CE2 3.64Å; Y207-F280 HydrophobicContact CE2-CE2 3.64Å; Y207-F280 HydrophobicContact CE2-CG 4.41Å; Y207-I285 HydrophobicContact CD1-CD1 3.76Å; Y207-I285 HydrophobicContact CD2-CD1 3.24Å; Y207-I285 HydrophobicContact CE1-CD1 4.19Å; Y207-I285 HydrophobicContact CE2-CD1 3.73Å; Y207-I285 HydrophobicContact CG-CD1 3.24Å; Y207-L328 HydrophobicContact CD1-CD1 3.63Å; Y207-L328 HydrophobicContact CD1-CD2 4.26Å; Y207-L328 HydrophobicContact CD1-CG 3.89Å; Y207-L328 HydrophobicContact CE1-CD1 4.49Å; Y207-L328 HydrophobicContact CE1-CD2 4.36Å; Y207-L328 HydrophobicContact CE1-CG 4.36Å; Y207-L328 HydrophobicContact CG-CD1 4.2Å; Y207-L329 CarbonylContact C-O 3.57Å; Y207-L329 VanDerWaalsContact CA-O 3.26Å; Y207-L329 WeakPolarHBondContact CA-O 3.5Å; Y207-F330 HydrophobicContact CD1-CB 4.03Å; Y207-F330 HydrophobicContact CD1-CD2 4.39Å; Y207-F330 HydrophobicContact CD2-CD2 4.19Å; Y207-F330 HydrophobicContact CE1-CB 3.68Å; Y207-F330 AromaticContact CE1-CD2 3.86Å; Y207-F330 HydrophobicContact CE1-CD2 3.86Å; Y207-F330 HydrophobicContact CE1-CG 4.29Å; Y207-F330 AromaticContact CE2-CD2 3.64Å; Y207-F330 HydrophobicContact CE2-CD2 3.64Å; Y207-F330 HydrophobicContact CE2-CE2 4.19Å; Y207-F330 AromaticContact CZ-CD2 3.47Å; Y207-F330 VanDerWaalsContact CZ-CD2 3.47Å
208E98.4Very high95.5Very high22 Ų2240.8 Ų40.810%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-120.4141.8166.8-76.2174.2-176.900109.9Y210 R272 I273 L329 I331E208-Y210 HydrophobicContact CB-CD2 4.4Å; E208-Y210 HydrophobicContact CB-CE2 3.75Å; E208-Y210 VanDerWaalsContact OE2-CZ 3.3Å; E208-Y210 PolarHBondContact OE2-OH 3.06Å; E208-R272 IonicContact OE1-CZ 2.73Å; E208-R272 IonicContact OE1-NH1 3.29Å; E208-R272 PolarHBondContact OE1-NH1 3.04Å; E208-R272 IonicContact OE2-NH1 3.23Å; E208-I273 CarbonylContact C-O 3.57Å; E208-I273 VanDerWaalsContact CA-O 3.3Å; E208-I273 WeakPolarHBondContact CA-O 3.31Å; E208-L329 PolarHBondContact N-O 2.68Å; E208-L329 PolarHBondContact O-N 3.03Å; E208-I331 HydrophobicContact CB-CD1 4.03Å; E208-I331 HydrophobicContact CB-CG1 4.03Å; E208-I331 VanDerWaalsContact CD-CD1 3.48Å; E208-I331 HydrophobicContact CG-CD1 3.83Å; E208-I331 HydrophobicContact CG-CG1 3.69Å; E208-I331 WeakPolarHBondContact OE2-CD1 3.41Å
209Y98.6Very high95.5Very high2 Ų249.1 Ų49.11%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-119120.8171.2-163.7-76.5000109.4F211 R272 I273 M289 F293 A323 A324 P327 L328 I394Y209-F211 HydrophobicContact CD1-CB 4.48Å; Y209-F211 HydrophobicContact CE1-CB 4.46Å; Y209-R272 CarbonylContact O-C 3.57Å; Y209-R272 VanDerWaalsContact O-CA 3.26Å; Y209-R272 WeakPolarHBondContact O-CA 3.34Å; Y209-I273 PolarHBondContact N-O 3.01Å; Y209-I273 PolarHBondContact O-N 3.28Å; Y209-M289 HydrophobicContact CD1-CE 3.68Å; Y209-M289 HydrophobicContact CD1-CG 4.1Å; Y209-M289 HydrophobicContact CD1-SD 4.37Å; Y209-M289 HydrophobicContact CD2-CB 4.44Å; Y209-M289 HydrophobicContact CD2-CG 3.67Å; Y209-M289 HydrophobicContact CE1-CE 4.3Å; Y209-M289 HydrophobicContact CE2-CB 4.42Å; Y209-M289 HydrophobicContact CE2-CG 4.13Å; Y209-M289 HydrophobicContact CG-CE 4Å; Y209-M289 HydrophobicContact CG-CG 3.64Å; Y209-M289 HydrophobicContact CG-SD 4.07Å; Y209-F293 HydrophobicContact CD1-CZ 4.1Å; Y209-F293 AromaticContact CE1-CE2 3.89Å; Y209-F293 HydrophobicContact CE1-CE2 3.89Å; Y209-F293 AromaticContact CE1-CZ 3.69Å; Y209-F293 HydrophobicContact CE1-CZ 3.69Å; Y209-A323 HydrophobicContact CE2-CB 4.35Å; Y209-A323 WeakPolarHBondContact OH-CB 3.42Å; Y209-A324 WeakPolarHBondContact CE2-O 3.42Å; Y209-A324 PolarHBondContact OH-N 2.86Å; Y209-A324 PolarHBondContact OH-O 2.89Å; Y209-P327 WeakPolarHBondContact CA-O 3.39Å; Y209-P327 HydrophobicContact CD1-CB 4.11Å; Y209-P327 HydrophobicContact CE1-CB 3.71Å; Y209-P327 HydrophobicContact CE1-CG 3.95Å; Y209-P327 HydrophobicContact CE2-CB 4.29Å; Y209-P327 HydrophobicContact CE2-CG 4.4Å; Y209-L328 HydrophobicContact CD2-CB 3.91Å; Y209-L328 HydrophobicContact CD2-CD1 4.05Å; Y209-L328 HydrophobicContact CE2-CB 4.22Å; Y209-I394 HydrophobicContact CE1-CG2 3.85Å; Y209-I394 WeakPolarHBondContact OH-CG2 3.41Å
210Y97.4Very high95.7Very high62 Ų6245.3 Ų45.324%0.24323%0.233CC..EExtended strand (participates in β ladder)trans-94.3139.8-178.6-68.1-100.8000111E208 V261 L270 C271 R272 P327 L329E208-Y210 HydrophobicContact CB-CD2 4.4Å; E208-Y210 HydrophobicContact CB-CE2 3.75Å; E208-Y210 VanDerWaalsContact OE2-CZ 3.3Å; E208-Y210 PolarHBondContact OE2-OH 3.06Å; Y210-V261 HydrophobicContact CD1-CG2 3.88Å; Y210-V261 HydrophobicContact CE1-CG1 4.36Å; Y210-V261 HydrophobicContact CE1-CG2 3.86Å; Y210-L270 HydrophobicContact CD1-CD2 4.02Å; Y210-C271 WeakPolarHBondContact CA-O 3.46Å; Y210-R272 HydrophobicContact CD1-CB 4.13Å; Y210-R272 HydrophobicContact CE1-CB 4.17Å; Y210-R272 HydrophobicContact CG-CB 4.48Å; Y210-P327 PolarHBondContact N-O 2.92Å; Y210-P327 WeakPolarHBondContact O-CB 3.49Å; Y210-L329 HydrophobicContact CE2-CB 4.31Å; Y210-L329 HydrophobicContact CE2-CD2 4.08Å
211F95.5Very high95.9Very high1 Ų137.6 Ų37.60%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-158.9150.3-178.463.8-76.1000111.4Y209 L216 I218 M221 V258 L270 C271 I273 M289 F293 L391Y209-F211 HydrophobicContact CD1-CB 4.48Å; Y209-F211 HydrophobicContact CE1-CB 4.46Å; F211-L216 HydrophobicContact CD2-CD1 3.96Å; F211-L216 HydrophobicContact CE2-CD1 3.92Å; F211-I218 HydrophobicContact CE2-CD1 4.21Å; F211-I218 HydrophobicContact CZ-CD1 4.48Å; F211-M221 HydrophobicContact CE2-CE 4.12Å; F211-M221 HydrophobicContact CE2-SD 4.49Å; F211-M221 HydrophobicContact CZ-CE 4.16Å; F211-V258 HydrophobicContact CZ-CG1 4.43Å; F211-L270 WeakPolarHBondContact O-CD1 3.43Å; F211-C271 HydrophobicContact CD1-CB 4.26Å; F211-C271 HydrophobicContact CD2-CB 4.28Å; F211-C271 HydrophobicContact CE1-CB 3.66Å; F211-C271 HydrophobicContact CE2-CB 3.74Å; F211-C271 HydrophobicContact CZ-CB 3.39Å; F211-C271 PolarHBondContact N-O 3.47Å; F211-C271 PolarHBondContact O-N 3.33Å; F211-I273 HydrophobicContact CD1-CG1 4.39Å; F211-I273 HydrophobicContact CE1-CD1 4.18Å; F211-I273 HydrophobicContact CE1-CG1 3.47Å; F211-I273 VanDerWaalsContact CE1-CG1 3.47Å; F211-I273 HydrophobicContact CZ-CD1 4.32Å; F211-I273 HydrophobicContact CZ-CG1 3.99Å; F211-M289 HydrophobicContact CD1-CE 4.38Å; F211-F293 HydrophobicContact CB-CE1 3.9Å; F211-F293 HydrophobicContact CB-CZ 3.78Å; F211-F293 HydrophobicContact CD1-CE1 4.25Å; F211-F293 HydrophobicContact CD1-CZ 4.43Å; F211-F293 AromaticContact CD2-CE1 3.58Å; F211-F293 HydrophobicContact CD2-CE1 3.58Å; F211-F293 HydrophobicContact CD2-CZ 4.32Å; F211-F293 HydrophobicContact CE2-CE1 4.14Å; F211-F293 AromaticContact CG-CE1 3.64Å; F211-F293 HydrophobicContact CG-CE1 3.64Å; F211-F293 AromaticContact CG-CZ 3.93Å; F211-F293 HydrophobicContact CG-CZ 3.93Å; F211-L391 HydrophobicContact CB-CD1 4.35Å
212P93.4Very high96Very high16 Ų1637.8 Ų37.810%0.10420%0.201CC..EExtended strand (participates in β ladder)trans-68.9138.6170.229.3-32.4000109.8S214 H390 L391 I394P212-S214 WeakPolarHBondContact O-CB 3.39Å; P212-S214 PolarHBondContact O-N 3.29Å; P212-H390 HydrophobicContact CB-CB 3.9Å; P212-H390 HydrophobicContact CG-CB 3.68Å; P212-L391 HydrophobicContact CG-CD1 4.4Å; P212-I394 VanDerWaalsContact CD-CD1 3.43Å; P212-I394 HydrophobicContact CG-CD1 4.14Å
213E91.8Very high96.1Very high30 Ų3040.3 Ų40.314%0.1421%0.214CC..  trans-52.4-41175.8-177174.3-134.200110.6G215 L216 I218 H266 K269E213-G215 PolarHBondContact O-N 3.1Å; E213-L216 WeakPolarHBondContact O-CB 3.47Å; E213-L216 WeakPolarHBondContact O-CD1 3.43Å; E213-L216 WeakPolarHBondContact O-CG 3.35Å; E213-L216 PolarHBondContact O-N 2.84Å; E213-I218 HydrophobicContact CG-CD1 4.29Å; E213-I218 HydrophobicContact CG-CG1 4.24Å; E213-H266 VanDerWaalsContact OE2-O 3.07Å; E213-K269 HydrophobicContact CB-CB 4.22Å; E213-K269 PolarHBondContact N-O 2.64Å
214S89.5Confident96.2Very high0 Ų036.8 Ų36.80%019%0.19CC..THydrogen-bonded Turntrans49.436.8166.1-151.50000113.6P212 L216 H267 R297 N388P212-S214 WeakPolarHBondContact O-CB 3.39Å; P212-S214 PolarHBondContact O-N 3.29Å; S214-L216 PolarHBondContact O-N 3.38Å; S214-H267 PolarHBondContact N-O 3.12Å; S214-R297 PolarHBondContact O-NH1 3.11Å; S214-N388 WeakPolarHBondContact CA-OD1 3.21Å; S214-N388 WeakPolarHBondContact CB-OD1 3.32Å; S214-N388 PolarHBondContact O-ND2 2.89Å; S214-N388 PolarHBondContact OG-O 2.87Å; S214-N388 PolarHBondContact OG-OD1 2.87Å
215G88.7Confident96.2Very high49 Ų4933.3 Ų33.351%0.50518%0.175SC..THydrogen-bonded Turntrans64.619.6179.300000114.6E213 N388E213-G215 PolarHBondContact O-N 3.1Å; G215-N388 PolarHBondContact N-ND2 3.29Å
216L93.4Very high96.3Very high11 Ų1135.7 Ų35.76%0.05819%0.19CC..  trans-71.2143.8177.2-63.4168.1000110.9F211 E213 S214 I218 M221 F293 G296 R297 L391F211-L216 HydrophobicContact CD2-CD1 3.96Å; F211-L216 HydrophobicContact CE2-CD1 3.92Å; E213-L216 WeakPolarHBondContact O-CB 3.47Å; E213-L216 WeakPolarHBondContact O-CD1 3.43Å; E213-L216 WeakPolarHBondContact O-CG 3.35Å; E213-L216 PolarHBondContact O-N 2.84Å; S214-L216 PolarHBondContact O-N 3.38Å; L216-I218 VanDerWaalsContact C-N 3.33Å; L216-I218 HydrophobicContact CB-CD1 4.13Å; L216-I218 PolarHBondContact O-N 3.29Å; L216-M221 HydrophobicContact CB-SD 3.86Å; L216-M221 HydrophobicContact CD1-CE 4.39Å; L216-M221 HydrophobicContact CD1-SD 3.89Å; L216-M221 HydrophobicContact CG-SD 4.38Å; L216-F293 HydrophobicContact CD1-CD1 3.9Å; L216-F293 HydrophobicContact CD1-CE1 4.28Å; L216-G296 CarbonylContact C-O 3.57Å; L216-G296 WeakPolarHBondContact CA-O 3.3Å; L216-G296 VanDerWaalsContact CD2-C 3.43Å; L216-R297 HydrophobicContact CD2-CB 4.44Å; L216-R297 HydrophobicContact CD2-CG 3.65Å; L216-L391 HydrophobicContact CD1-CD2 4.01Å; L216-L391 HydrophobicContact CD2-CD2 3.99Å; L216-L391 HydrophobicContact CG-CD2 4.43Å
217D95.5Very high96.3Very high73 Ų7339 Ų3939%0.3920%0.2SC..  trans-73.287.7167.7-178.2-0.5000110.3K219 S220 M221 G296D217-K219 PolarHBondContact O-N 2.97Å; D217-K219 WeakPolarHBondContact OD1-CB 3.42Å; D217-K219 PolarHBondContact OD1-N 3.49Å; D217-K219 VanDerWaalsContact OD1-N 3.09Å; D217-S220 VanDerWaalsContact CG-OG 3.31Å; D217-S220 PolarHBondContact O-N 3.22Å; D217-S220 PolarHBondContact OD1-N 3.28Å; D217-S220 VanDerWaalsContact OD1-N 3.15Å; D217-S220 VanDerWaalsContact OD2-CB 3.26Å; D217-S220 WeakPolarHBondContact OD2-CB 3.47Å; D217-S220 PolarHBondContact OD2-OG 3.3Å; D217-M221 WeakPolarHBondContact O-CG 3.27Å; D217-M221 PolarHBondContact O-N 2.96Å; D217-G296 PolarHBondContact N-O 3.21Å
218I95.7Very high96.3Very high29 Ų2938.1 Ų38.115%0.14920%0.197CC..Hα-helixtrans-59.2-31.4179.8-57.6-54.5000111.9F211 E213 L216 M221 I222 V258F211-I218 HydrophobicContact CE2-CD1 4.21Å; F211-I218 HydrophobicContact CZ-CD1 4.48Å; E213-I218 HydrophobicContact CG-CD1 4.29Å; E213-I218 HydrophobicContact CG-CG1 4.24Å; L216-I218 VanDerWaalsContact C-N 3.33Å; L216-I218 HydrophobicContact CB-CD1 4.13Å; L216-I218 PolarHBondContact O-N 3.29Å; I218-M221 HydrophobicContact CD1-SD 4Å; I218-M221 PolarHBondContact O-N 3.22Å; I218-I222 HydrophobicContact CG2-CD1 3.94Å; I218-I222 HydrophobicContact CG2-CG1 4.36Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.23Å; I218-V258 HydrophobicContact CG2-CG1 3.94Å
219K97.4Very high96.3Very high175 Ų17539.8 Ų39.876%0.76121%0.208SC*.Hα-helixtrans-67.5-45179.1-66.3-178.8-179.4177.60110.9D217 M221 I222 D223D217-K219 PolarHBondContact O-N 2.97Å; D217-K219 WeakPolarHBondContact OD1-CB 3.42Å; D217-K219 PolarHBondContact OD1-N 3.49Å; D217-K219 VanDerWaalsContact OD1-N 3.09Å; K219-M221 VanDerWaalsContact C-N 3.31Å; K219-M221 PolarHBondContact O-N 3.42Å; K219-I222 PolarHBondContact O-N 3.02Å; K219-D223 PolarHBondContact O-N 2.85Å
220S98.3Very high96.3Very high30 Ų3040.8 Ų40.821%0.2122%0.219CC..Hα-helixtrans-64.9-35.5174.8-69.60000112.1D217 D223 A224 V295D217-S220 VanDerWaalsContact CG-OG 3.31Å; D217-S220 PolarHBondContact O-N 3.22Å; D217-S220 PolarHBondContact OD1-N 3.28Å; D217-S220 VanDerWaalsContact OD1-N 3.15Å; D217-S220 VanDerWaalsContact OD2-CB 3.26Å; D217-S220 WeakPolarHBondContact OD2-CB 3.47Å; D217-S220 PolarHBondContact OD2-OG 3.3Å; S220-D223 PolarHBondContact O-N 3.39Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 3.26Å; S220-V295 WeakPolarHBondContact O-CG1 3.47Å
221M98.3Very high96.3Very high0 Ų042.2 Ų42.20%023%0.234CC..Hα-helixtrans-64.6-40173.2-67.7-178.97200112.6F211 L216 D217 I218 K219 A224 G225 I273 L292 F293F211-M221 HydrophobicContact CE2-CE 4.12Å; F211-M221 HydrophobicContact CE2-SD 4.49Å; F211-M221 HydrophobicContact CZ-CE 4.16Å; L216-M221 HydrophobicContact CB-SD 3.86Å; L216-M221 HydrophobicContact CD1-CE 4.39Å; L216-M221 HydrophobicContact CD1-SD 3.89Å; L216-M221 HydrophobicContact CG-SD 4.38Å; D217-M221 WeakPolarHBondContact O-CG 3.27Å; D217-M221 PolarHBondContact O-N 2.96Å; I218-M221 HydrophobicContact CD1-SD 4Å; I218-M221 PolarHBondContact O-N 3.22Å; K219-M221 VanDerWaalsContact C-N 3.31Å; K219-M221 PolarHBondContact O-N 3.42Å; M221-A224 PolarHBondContact O-N 3.33Å; M221-G225 PolarHBondContact O-N 3.04Å; M221-I273 HydrophobicContact CE-CD1 3.95Å; M221-L292 HydrophobicContact CE-CB 3.95Å; M221-L292 WeakPolarHBondContact CG-O 3.34Å; M221-F293 HydrophobicContact CE-CD1 3.79Å; M221-F293 HydrophobicContact CE-CE1 4.06Å
222I98.4Very high96.4Very high65 Ų6545 Ų4533%0.33325%0.247SC..Hα-helixtrans-63.7-45.4175-70.7164.3000110.5I218 K219 G225 N226 V258I218-I222 HydrophobicContact CG2-CD1 3.94Å; I218-I222 HydrophobicContact CG2-CG1 4.36Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.23Å; K219-I222 PolarHBondContact O-N 3.02Å; I222-G225 PolarHBondContact O-N 2.58Å; I222-N226 WeakPolarHBondContact O-CB 3.47Å; I222-N226 VanDerWaalsContact O-CG 3.3Å; I222-N226 PolarHBondContact O-N 3.23Å; I222-N226 PolarHBondContact O-ND2 3.09Å; I222-V258 HydrophobicContact CD1-CB 4.28Å; I222-V258 HydrophobicContact CG1-CB 3.77Å; I222-V258 HydrophobicContact CG1-CG2 3.66Å
223D98.7Very high96.6Very high62 Ų6245.5 Ų45.533%0.33225%0.249SC..Hα-helixtrans-57.8-51.2175.5-179.417.2000111.2K219 S220 G225 N226 R227 P302K219-D223 PolarHBondContact O-N 2.85Å; S220-D223 PolarHBondContact O-N 3.39Å; D223-G225 VanDerWaalsContact C-N 3.33Å; D223-G225 PolarHBondContact O-N 3.15Å; D223-N226 PolarHBondContact O-N 3.38Å; D223-R227 WeakPolarHBondContact O-CG 3.43Å; D223-R227 PolarHBondContact O-N 3.25Å; D223-R227 IonicContact OD1-CZ 2.68Å; D223-R227 VanDerWaalsContact OD1-CZ 3.28Å; D223-R227 IonicContact OD1-NE 3.11Å; D223-R227 PolarHBondContact OD1-NE 2.87Å; D223-R227 IonicContact OD1-NH2 3.73Å; D223-R227 PolarHBondContact OD1-NH2 3.47Å; D223-R227 IonicContact OD2-CZ 3.65Å; D223-R227 IonicContact OD2-NE 3.97Å; D223-R227 IonicContact OD2-NH2 3.96Å; D223-R227 PolarHBondContact OD2-NH2 3.14Å; D223-R227 VanDerWaalsContact OD2-NH2 3.12Å; D223-P302 HydrophobicContact CB-CB 4.09Å; D223-P302 HydrophobicContact CB-CG 4.23Å; D223-P302 VanDerWaalsContact OD2-CB 3.25Å; D223-P302 WeakPolarHBondContact OD2-CB 3.2Å
224A98.7Very high96.8Very high0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-60.8-40.2177.200000112.8S220 M221 R227 L292 V295 P302 V305S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 3.26Å; M221-A224 PolarHBondContact O-N 3.33Å; A224-R227 PolarHBondContact O-N 2.97Å; A224-L292 HydrophobicContact CB-CD2 3.59Å; A224-V295 HydrophobicContact CB-CB 4.37Å; A224-V295 HydrophobicContact CB-CG1 4.05Å; A224-V295 HydrophobicContact CB-CG2 4.12Å; A224-P302 HydrophobicContact CB-CB 4.09Å; A224-V305 HydrophobicContact CB-CG2 3.95Å
225G98.5Very high97Very high0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-63.1-44.117700000112.7M221 I222 D223 R227 L228 V256M221-G225 PolarHBondContact O-N 3.04Å; I222-G225 PolarHBondContact O-N 2.58Å; D223-G225 VanDerWaalsContact C-N 3.33Å; D223-G225 PolarHBondContact O-N 3.15Å; G225-R227 VanDerWaalsContact C-N 3.27Å; G225-R227 PolarHBondContact O-N 3.28Å; G225-L228 VanDerWaalsContact O-CB 3.3Å; G225-L228 WeakPolarHBondContact O-CB 3.29Å; G225-L228 PolarHBondContact O-N 3.03Å; G225-L228 VanDerWaalsContact O-N 3.1Å; G225-V256 WeakPolarHBondContact O-CG2 3.41Å
226N98.5Very high97.3Very high85 Ų8544.3 Ų44.346%0.45523%0.228SC..Hα-helixtrans-64.9-29.6179.3-74.8-25.1000112.8I222 D223 L228 V229I222-N226 WeakPolarHBondContact O-CB 3.47Å; I222-N226 VanDerWaalsContact O-CG 3.3Å; I222-N226 PolarHBondContact O-N 3.23Å; I222-N226 PolarHBondContact O-ND2 3.09Å; D223-N226 PolarHBondContact O-N 3.38Å; N226-L228 PolarHBondContact O-N 2.96Å; N226-V229 WeakPolarHBondContact O-CB 3.36Å; N226-V229 WeakPolarHBondContact O-CG2 3.42Å; N226-V229 PolarHBondContact O-N 3.2Å; N226-V229 VanDerWaalsContact O-N 3.16Å
227R98.6Very high97.5Very high87 Ų8743.8 Ų43.833%0.32823%0.225SC..THydrogen-bonded Turntrans-66.5-18.7174.8-67.7167.7-168.1-87.4-6.9113.5D223 A224 G225 V229 V305 D306D223-R227 WeakPolarHBondContact O-CG 3.43Å; D223-R227 PolarHBondContact O-N 3.25Å; D223-R227 IonicContact OD1-CZ 2.68Å; D223-R227 VanDerWaalsContact OD1-CZ 3.28Å; D223-R227 IonicContact OD1-NE 3.11Å; D223-R227 PolarHBondContact OD1-NE 2.87Å; D223-R227 IonicContact OD1-NH2 3.73Å; D223-R227 PolarHBondContact OD1-NH2 3.47Å; D223-R227 IonicContact OD2-CZ 3.65Å; D223-R227 IonicContact OD2-NE 3.97Å; D223-R227 IonicContact OD2-NH2 3.96Å; D223-R227 PolarHBondContact OD2-NH2 3.14Å; D223-R227 VanDerWaalsContact OD2-NH2 3.12Å; A224-R227 PolarHBondContact O-N 2.97Å; G225-R227 VanDerWaalsContact C-N 3.27Å; G225-R227 PolarHBondContact O-N 3.28Å; R227-V229 VanDerWaalsContact C-N 3.32Å; R227-V305 HydrophobicContact CB-CB 4.09Å; R227-V305 HydrophobicContact CB-CG1 3.7Å; R227-D306 IonicContact CZ-OD2 2.99Å; R227-D306 IonicContact NE-OD2 3.42Å; R227-D306 IonicContact NH1-OD1 3.51Å; R227-D306 IonicContact NH1-OD2 3.79Å; R227-D306 PolarHBondContact NH1-OD2 3.25Å
228L98.6Very high97.4Very high1 Ų140.4 Ų40.41%0.00521%0.207CC..THydrogen-bonded Turntrans-77.5-17.9175-60.6165.1000112.8G225 N226 F234 F237 I253 V288 V305G225-L228 VanDerWaalsContact O-CB 3.3Å; G225-L228 WeakPolarHBondContact O-CB 3.29Å; G225-L228 PolarHBondContact O-N 3.03Å; G225-L228 VanDerWaalsContact O-N 3.1Å; N226-L228 PolarHBondContact O-N 2.96Å; L228-F234 HydrophobicContact CD2-CE1 4.06Å; L228-F237 HydrophobicContact CD2-CD1 4.36Å; L228-F237 HydrophobicContact CD2-CE1 3.83Å; L228-F237 HydrophobicContact CD2-CZ 4.01Å; L228-I253 HydrophobicContact CB-CD1 3.98Å; L228-V288 HydrophobicContact CD1-CG1 3.46Å; L228-V288 VanDerWaalsContact CD1-CG1 3.46Å; L228-V288 HydrophobicContact CD1-CG2 4.29Å; L228-V305 HydrophobicContact CD2-CG1 3.48Å; L228-V305 VanDerWaalsContact CD2-CG1 3.48Å; L228-V305 HydrophobicContact CG-CG1 3.84Å
229V98.7Very high97.1Very high58 Ų5839.9 Ų39.935%0.35221%0.207SC..  trans-67.3138.9-176.4177.40000110.3N226 R227 H232 I253 V256N226-V229 WeakPolarHBondContact O-CB 3.36Å; N226-V229 WeakPolarHBondContact O-CG2 3.42Å; N226-V229 PolarHBondContact O-N 3.2Å; N226-V229 VanDerWaalsContact O-N 3.16Å; R227-V229 VanDerWaalsContact C-N 3.32Å; V229-H232 PolarHBondContact O-NE2 3.21Å; V229-I253 HydrophobicContact CG2-CG2 4.42Å; V229-V256 HydrophobicContact CG2-CG2 4.28Å
230G98.5Very high95.8Very high23 Ų2333.1 Ų33.124%0.23718%0.182CC..EExtended strand (participates in β ladder)trans110.5-169.8-177.500000113.8E252 I253G230-E252 WeakPolarHBondContact O-CA 3.49Å; G230-I253 PolarHBondContact N-O 3.26Å; G230-I253 PolarHBondContact O-N 3.46Å
231V98.3Very high94.5Very high91 Ų9139.3 Ų39.355%0.55220%0.201SC*.EExtended strand (participates in β ladder)trans-96.5111.9-177.4-176.40000109.6I250 R251 E252V231-I250 HydrophobicContact CG1-CG2 3.59Å; V231-R251 WeakPolarHBondContact CA-O 3.18Å; V231-E252 HydrophobicContact CG2-CB 3.97Å; V231-E252 HydrophobicContact CG2-CG 3.71Å
232H98Very high92.9Very high60 Ų6041 Ų4128%0.27821%0.209SC..EExtended strand (participates in β ladder)trans-140.2162.6-176.9-54.2-78.3000112.2V229 F234 I250 R251 L309V229-H232 PolarHBondContact O-NE2 3.21Å; H232-F234 HydrophobicContact CB-CD2 4.25Å; H232-F234 HydrophobicContact CB-CE2 3.75Å; H232-F234 HydrophobicContact CB-CZ 3.96Å; H232-F234 VanDerWaalsContact O-CD2 3.24Å; H232-F234 WeakPolarHBondContact O-CD2 3.2Å; H232-I250 VanDerWaalsContact O-CA 3.28Å; H232-I250 WeakPolarHBondContact O-CA 3.26Å; H232-R251 PolarHBondContact N-O 2.89Å; H232-R251 PolarHBondContact O-N 3.06Å; H232-L309 HydrophobicContact CB-CD2 3.76Å
233D96.1Very high91.2Very high27 Ų2740.8 Ų40.814%0.14421%0.207CC..EExtended strand (participates in β ladder)trans-84.2110.9167-169.8-47.5000110.3R235 F249 L311D233-R235 VanDerWaalsContact CG-NE 3.26Å; D233-R235 PolarHBondContact O-N 3.06Å; D233-R235 WeakPolarHBondContact OD1-CB 3.36Å; D233-R235 WeakPolarHBondContact OD1-CG 3.5Å; D233-R235 IonicContact OD1-CZ 3.88Å; D233-R235 PolarHBondContact OD1-N 3.39Å; D233-R235 IonicContact OD1-NE 2.93Å; D233-R235 PolarHBondContact OD1-NE 3.41Å; D233-R235 IonicContact OD1-NH2 3.76Å; D233-R235 IonicContact OD2-CZ 3.26Å; D233-R235 VanDerWaalsContact OD2-CZ 3.26Å; D233-R235 IonicContact OD2-NE 3.07Å; D233-R235 PolarHBondContact OD2-NE 3.38Å; D233-R235 VanDerWaalsContact OD2-NE 3.07Å; D233-R235 IonicContact OD2-NH2 3.53Å; D233-R235 PolarHBondContact OD2-NH2 2.63Å; D233-F249 WeakPolarHBondContact OD1-CB 3.46Å; D233-L311 HydrophobicContact CB-CD1 4.29Å
234F96Very high89.2Confident0 Ų046.9 Ų46.90%023%0.23CC..  trans-9521.1-174.9-72.7-84.4000113.6L228 H232 N236 F237 C238 F249 R251 I253 L281 L309L228-F234 HydrophobicContact CD2-CE1 4.06Å; H232-F234 HydrophobicContact CB-CD2 4.25Å; H232-F234 HydrophobicContact CB-CE2 3.75Å; H232-F234 HydrophobicContact CB-CZ 3.96Å; H232-F234 VanDerWaalsContact O-CD2 3.24Å; H232-F234 WeakPolarHBondContact O-CD2 3.2Å; F234-N236 PolarHBondContact O-N 3.45Å; F234-N236 VanDerWaalsContact O-N 3.13Å; F234-F237 HydrophobicContact CB-CB 4.34Å; F234-F237 HydrophobicContact CD1-CB 4.17Å; F234-F237 AromaticContact CD1-CD2 3.9Å; F234-F237 HydrophobicContact CD1-CD2 3.9Å; F234-F237 HydrophobicContact CD1-CG 4.12Å; F234-F237 CarbonylContact O-C 3.56Å; F234-F237 WeakPolarHBondContact O-CA 3.28Å; F234-F237 PolarHBondContact O-N 3.19Å; F234-C238 PolarHBondContact O-N 3.11Å; F234-F249 PolarHBondContact N-O 2.93Å; F234-R251 HydrophobicContact CD2-CB 3.76Å; F234-R251 HydrophobicContact CE2-CB 4.03Å; F234-R251 WeakPolarHBondContact CE2-O 3.35Å; F234-I253 HydrophobicContact CE1-CD1 3.59Å; F234-I253 HydrophobicContact CE1-CG1 4.44Å; F234-I253 HydrophobicContact CE2-CD1 4.23Å; F234-I253 HydrophobicContact CE2-CG1 4.23Å; F234-I253 HydrophobicContact CZ-CD1 3.39Å; F234-I253 HydrophobicContact CZ-CG1 3.78Å; F234-L281 HydrophobicContact CB-CD1 3.72Å; F234-L309 HydrophobicContact CD1-CD2 3.96Å; F234-L309 HydrophobicContact CE1-CD2 3.83Å; F234-L309 HydrophobicContact CZ-CD2 4.4Å
235R94.1Very high87.2Confident51 Ų5151.6 Ų51.619%0.19226%0.256CS..G310 helixtrans-56.7-30.7-179.368.8-177.466.6-175.10.2113.9D233 F237 F249 L311 V425D233-R235 VanDerWaalsContact CG-NE 3.26Å; D233-R235 PolarHBondContact O-N 3.06Å; D233-R235 WeakPolarHBondContact OD1-CB 3.36Å; D233-R235 WeakPolarHBondContact OD1-CG 3.5Å; D233-R235 IonicContact OD1-CZ 3.88Å; D233-R235 PolarHBondContact OD1-N 3.39Å; D233-R235 IonicContact OD1-NE 2.93Å; D233-R235 PolarHBondContact OD1-NE 3.41Å; D233-R235 IonicContact OD1-NH2 3.76Å; D233-R235 IonicContact OD2-CZ 3.26Å; D233-R235 VanDerWaalsContact OD2-CZ 3.26Å; D233-R235 IonicContact OD2-NE 3.07Å; D233-R235 PolarHBondContact OD2-NE 3.38Å; D233-R235 VanDerWaalsContact OD2-NE 3.07Å; D233-R235 IonicContact OD2-NH2 3.53Å; D233-R235 PolarHBondContact OD2-NH2 2.63Å; R235-F237 VanDerWaalsContact C-N 3.25Å; R235-F237 PolarHBondContact O-N 3.29Å; R235-F249 HydrophobicContact CB-CB 3.96Å; R235-F249 HydrophobicContact CB-CD1 3.67Å; R235-F249 HydrophobicContact CB-CD2 4.28Å; R235-F249 HydrophobicContact CB-CE1 4.23Å; R235-F249 HydrophobicContact CB-CG 3.7Å; R235-L311 HydrophobicContact CG-CD2 3.9Å; R235-V425 HydrophobicContact CB-CG2 4.26Å
236N95.9Very high85.5Confident2 Ų253.5 Ų53.51%0.01127%0.267CS..G310 helixtrans-81.2-6.3178.1-68.3-26.9000113.1F234 M308 T314 K317 Y320F234-N236 PolarHBondContact O-N 3.45Å; F234-N236 VanDerWaalsContact O-N 3.13Å; N236-M308 HydrophobicContact CB-CE 3.77Å; N236-M308 WeakPolarHBondContact CB-O 3.4Å; N236-M308 HydrophobicContact CB-SD 4.38Å; N236-M308 PolarHBondContact ND2-O 2.89Å; N236-M308 VanDerWaalsContact O-CE 3.24Å; N236-M308 WeakPolarHBondContact O-CE 3.1Å; N236-T314 WeakPolarHBondContact ND2-CG2 3.45Å; N236-T314 PolarHBondContact ND2-O 3.49Å; N236-K317 VanDerWaalsContact OD1-CA 3.23Å; N236-K317 WeakPolarHBondContact OD1-CA 3.21Å; N236-K317 PolarHBondContact OD1-N 2.86Å; N236-Y320 PolarHBondContact O-OH 3.2Å
237F96.7Very high84.2Confident1 Ų156.2 Ų56.20%0.00429%0.287CS..G310 helixtrans-113.212.3-179.2-64.6-93.5000112.6L228 F234 R235 Q284 F287 V288 I291 V305 M308 L309 Y320L228-F237 HydrophobicContact CD2-CD1 4.36Å; L228-F237 HydrophobicContact CD2-CE1 3.83Å; L228-F237 HydrophobicContact CD2-CZ 4.01Å; F234-F237 HydrophobicContact CB-CB 4.34Å; F234-F237 HydrophobicContact CD1-CB 4.17Å; F234-F237 AromaticContact CD1-CD2 3.9Å; F234-F237 HydrophobicContact CD1-CD2 3.9Å; F234-F237 HydrophobicContact CD1-CG 4.12Å; F234-F237 CarbonylContact O-C 3.56Å; F234-F237 WeakPolarHBondContact O-CA 3.28Å; F234-F237 PolarHBondContact O-N 3.19Å; R235-F237 VanDerWaalsContact C-N 3.25Å; R235-F237 PolarHBondContact O-N 3.29Å; F237-Q284 HydrophobicContact CB-CG 4.45Å; F237-Q284 WeakPolarHBondContact O-CA 3.49Å; F237-F287 VanDerWaalsContact O-CB 3.22Å; F237-F287 WeakPolarHBondContact O-CB 3.36Å; F237-V288 HydrophobicContact CB-CG2 4.26Å; F237-V288 HydrophobicContact CD1-CG2 3.84Å; F237-V288 HydrophobicContact CG-CG2 4.4Å; F237-I291 HydrophobicContact CD1-CD1 3.58Å; F237-I291 HydrophobicContact CE1-CD1 3.36Å; F237-I291 HydrophobicContact CZ-CD1 4.27Å; F237-V305 HydrophobicContact CZ-CG1 4.34Å; F237-M308 HydrophobicContact CE1-CB 4.4Å; F237-M308 HydrophobicContact CE2-CB 3.61Å; F237-M308 HydrophobicContact CZ-CB 3.45Å; F237-M308 VanDerWaalsContact CZ-CB 3.45Å; F237-M308 HydrophobicContact CZ-CG 4.4Å; F237-L309 HydrophobicContact CD2-CD2 4Å; F237-L309 HydrophobicContact CE2-CD2 3.41Å; F237-L309 VanDerWaalsContact CE2-CD2 3.41Å; F237-L309 HydrophobicContact CE2-CG 3.78Å; F237-L309 HydrophobicContact CZ-CD2 4.15Å; F237-L309 HydrophobicContact CZ-CG 4.17Å; F237-Y320 WeakPolarHBondContact CA-OH 3.43Å
238C93.6Very high83.7Confident2 Ų255 Ų551%0.01429%0.289CS..SBendtrans-131.4173.4-178.375.30000112.4F234 L281 Y282 F287 K317F234-C238 PolarHBondContact O-N 3.11Å; C238-L281 HydrophobicContact CB-CB 3.59Å; C238-L281 HydrophobicContact CB-CD1 3.94Å; C238-L281 HydrophobicContact CB-CG 4.42Å; C238-Y282 WeakPolarHBondContact CB-O 3.46Å; C238-F287 VanDerWaalsContact C-CD2 3.44Å; C238-F287 WeakPolarHBondContact O-CE2 3.27Å; C238-K317 WeakPolarHBondContact O-CD 3.43Å; C238-K317 WeakPolarHBondContact O-CE 3.35Å; C238-K317 PolarHBondContact O-NZ 2.87Å
239A88.1Confident83.4Confident17 Ų1755.9 Ų55.914%0.1429%0.293CS..  trans-72139.3168.300000109.1R241 Y282 H283 F287A239-R241 PolarHBondContact O-N 3Å; A239-Y282 HydrophobicContact CB-CD1 3.5Å; A239-Y282 VanDerWaalsContact CB-CD1 3.5Å; A239-Y282 HydrophobicContact CB-CE1 3.96Å; A239-Y282 HydrophobicContact CB-CG 4.29Å; A239-Y282 PolarHBondContact N-O 3.26Å; A239-H283 HydrophobicContact CB-CB 4.07Å; A239-F287 HydrophobicContact CB-CE2 4.06Å; A239-F287 VanDerWaalsContact N-CE2 3.3Å
240S71.8Confident83.2Confident33 Ų3357.2 Ų57.223%0.23130%0.297CS..  trans-77.918.8-175.4-72.10000115I242 E422 K428S240-I242 PolarHBondContact O-N 3.36Å; S240-I242 VanDerWaalsContact O-N 3.16Å; S240-E422 WeakPolarHBondContact CB-OE2 3.37Å; S240-E422 PolarHBondContact OG-OE2 3.24Å; S240-K428 PolarHBondContact OG-NZ 2.86Å
241R69.7Low83.1Confident161 Ų16158.7 Ų58.761%0.60830%0.295SS*.  trans-81.2101.3179.3-158.6174.9-171.1-174.61.6108.1A239 E243 Y282A239-R241 PolarHBondContact O-N 3Å; R241-E243 VanDerWaalsContact C-N 3.28Å; R241-E243 PolarHBondContact O-N 2.84Å; R241-Y282 HydrophobicContact CB-CD1 4.32Å
242I65.7Low83.1Confident35 Ų3558.1 Ų58.118%0.17929%0.287CS..  trans-70.992.7170-53.1-179.1000106.7S240 F249 V425 K428 M429 L432S240-I242 PolarHBondContact O-N 3.36Å; S240-I242 VanDerWaalsContact O-N 3.16Å; I242-F249 HydrophobicContact CG1-CZ 4.43Å; I242-V425 HydrophobicContact CD1-CG1 4.23Å; I242-K428 HydrophobicContact CD1-CB 3.85Å; I242-M429 HydrophobicContact CD1-CG 3.66Å; I242-M429 HydrophobicContact CD1-SD 3.56Å; I242-M429 VanDerWaalsContact CD1-SD 3.56Å; I242-M429 HydrophobicContact CG2-SD 3.79Å; I242-L432 HydrophobicContact CB-CD1 4.01Å; I242-L432 HydrophobicContact CD1-CD1 4.31Å; I242-L432 HydrophobicContact CG2-CD1 4.36Å
243E61.7Low83.1Confident60 Ų6055.4 Ų55.428%0.2827%0.274SS..  trans-65.7153.1169.5-64.3-170.7171.500109.4R241 D245 T246R241-E243 VanDerWaalsContact C-N 3.28Å; R241-E243 PolarHBondContact O-N 2.84Å; E243-D245 PolarHBondContact O-N 3.3Å; E243-T246 PolarHBondContact O-N 2.86Å
244K57.9Low83.2Confident190 Ų19058 Ų5883%0.82628%0.284SS*.THydrogen-bonded Turntrans-52.5-25.8177-72.9-175.7178.2-179.50112.7
245D55.8Low83.4Confident99 Ų9963 Ų6353%0.52931%0.308SS..THydrogen-bonded Turntrans-99.5-4-174.9-55.6-14000114E243 V247E243-D245 PolarHBondContact O-N 3.3Å; D245-V247 PolarHBondContact O-N 3.5Å
246T63.6Low83.6Confident41 Ų4161 Ų6125%0.25230%0.301SS..  trans-81.194.2-179.6-57.30000109.9E243 F249 L281E243-T246 PolarHBondContact O-N 2.86Å; T246-F249 HydrophobicContact CG2-CZ 4.49Å; T246-L281 HydrophobicContact CG2-CD2 4.39Å
247V69.8Low83.7Confident142 Ų14263.8 Ų63.886%0.86132%0.318SS*.  trans-78.5-29.6178.6-1710000111.8D245D245-V247 PolarHBondContact O-N 3.5Å
248T88.2Confident83.7Confident60 Ų6065 Ų6537%0.36833%0.325SS..  trans-154.8144.8-173.9-179.40000112.7I250 R251T248-I250 VanDerWaalsContact C-N 3.34Å; T248-I250 WeakPolarHBondContact OG1-CB 3.2Å; T248-I250 WeakPolarHBondContact OG1-CG1 3.48Å; T248-I250 PolarHBondContact OG1-N 2.96Å; T248-R251 PolarHBondContact O-NH1 3.23Å
249F92.3Very high83.8Confident21 Ų2166.5 Ų66.59%0.09234%0.336CS..  trans-89.5-0.5171-64.9-86.8000112.8D233 F234 R235 I242 T246 L281 V425D233-F249 WeakPolarHBondContact OD1-CB 3.46Å; F234-F249 PolarHBondContact N-O 2.93Å; R235-F249 HydrophobicContact CB-CB 3.96Å; R235-F249 HydrophobicContact CB-CD1 3.67Å; R235-F249 HydrophobicContact CB-CD2 4.28Å; R235-F249 HydrophobicContact CB-CE1 4.23Å; R235-F249 HydrophobicContact CB-CG 3.7Å; I242-F249 HydrophobicContact CG1-CZ 4.43Å; T246-F249 HydrophobicContact CG2-CZ 4.49Å; F249-L281 HydrophobicContact CB-CD1 4.26Å; F249-L281 HydrophobicContact CD1-CD1 3.99Å; F249-L281 HydrophobicContact CD1-CD2 4.29Å; F249-V425 HydrophobicContact CD2-CG2 4.45Å; F249-V425 HydrophobicContact CE2-CB 4.47Å; F249-V425 HydrophobicContact CE2-CG1 3.68Å; F249-V425 HydrophobicContact CE2-CG2 3.88Å; F249-V425 HydrophobicContact CZ-CG1 4.33Å; F249-V425 HydrophobicContact CZ-CG2 4.08Å
250I95.6Very high84Confident85 Ų8569.7 Ų69.744%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-75.4127.4178.6-59.4171.8000109.4V231 H232 T248V231-I250 HydrophobicContact CG1-CG2 3.59Å; H232-I250 VanDerWaalsContact O-CA 3.28Å; H232-I250 WeakPolarHBondContact O-CA 3.26Å; T248-I250 VanDerWaalsContact C-N 3.34Å; T248-I250 WeakPolarHBondContact OG1-CB 3.2Å; T248-I250 WeakPolarHBondContact OG1-CG1 3.48Å; T248-I250 PolarHBondContact OG1-N 2.96Å
251R96.2Very high84.9Confident54 Ų5470.7 Ų70.720%0.20436%0.355CS..EExtended strand (participates in β ladder)trans-135.1162.1171.3-65.2-62.8-177.4-84.5-0.7109.6V231 H232 F234 T248 G279 L281V231-R251 WeakPolarHBondContact CA-O 3.18Å; H232-R251 PolarHBondContact N-O 2.89Å; H232-R251 PolarHBondContact O-N 3.06Å; F234-R251 HydrophobicContact CD2-CB 3.76Å; F234-R251 HydrophobicContact CE2-CB 4.03Å; F234-R251 WeakPolarHBondContact CE2-O 3.35Å; T248-R251 PolarHBondContact O-NH1 3.23Å; R251-G279 VanDerWaalsContact CD-O 3.28Å; R251-G279 WeakPolarHBondContact CD-O 3.49Å; R251-L281 HydrophobicContact CG-CG 4.21Å; R251-L281 VanDerWaalsContact NH2-CD2 3.27Å
252E98.2Very high85.1Confident80 Ų8066.9 Ų66.937%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-115.5115.4172.8-173.1176.2-168.100108.7G230 V231 F254 A277 S278G230-E252 WeakPolarHBondContact O-CA 3.49Å; V231-E252 HydrophobicContact CG2-CB 3.97Å; V231-E252 HydrophobicContact CG2-CG 3.71Å; E252-F254 HydrophobicContact CB-CE1 4.33Å; E252-F254 VanDerWaalsContact CD-CE1 3.43Å; E252-F254 HydrophobicContact CG-CD1 3.95Å; E252-F254 HydrophobicContact CG-CE1 3.75Å; E252-F254 WeakPolarHBondContact OE2-CE1 3.3Å; E252-A277 CarbonylContact O-C 3.46Å; E252-A277 WeakPolarHBondContact O-CA 3.13Å; E252-A277 WeakPolarHBondContact O-CB 3.2Å; E252-S278 PolarHBondContact N-OG 3.24Å; E252-S278 PolarHBondContact O-N 3.09Å; E252-S278 PolarHBondContact O-OG 3.28Å
253I98.7Very high85.1Confident3 Ų371.4 Ų71.42%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-91.7121.9170.1-66.5179.9000107.1L228 V229 G230 F234 V256 I275 A277L228-I253 HydrophobicContact CB-CD1 3.98Å; V229-I253 HydrophobicContact CG2-CG2 4.42Å; G230-I253 PolarHBondContact N-O 3.26Å; G230-I253 PolarHBondContact O-N 3.46Å; F234-I253 HydrophobicContact CE1-CD1 3.59Å; F234-I253 HydrophobicContact CE1-CG1 4.44Å; F234-I253 HydrophobicContact CE2-CD1 4.23Å; F234-I253 HydrophobicContact CE2-CG1 4.23Å; F234-I253 HydrophobicContact CZ-CD1 3.39Å; F234-I253 HydrophobicContact CZ-CG1 3.78Å; I253-V256 HydrophobicContact CG2-CG2 3.81Å; I253-I275 HydrophobicContact CG2-CG2 4.14Å; I253-A277 HydrophobicContact CG1-CB 4.19Å
254F98.4Very high85.2Confident80 Ų8071.8 Ų71.835%0.35139%0.39SS..EExtended strand (participates in β ladder)trans-83.8-39.1-178.6-56.2-53.7000111.9K204 E252 S276 S278K204-F254 HydrophobicContact CB-CE2 4.05Å; K204-F254 HydrophobicContact CD-CD2 3.87Å; K204-F254 HydrophobicContact CD-CE2 4.22Å; K204-F254 HydrophobicContact CG-CD2 3.83Å; K204-F254 HydrophobicContact CG-CE2 3.83Å; E252-F254 HydrophobicContact CB-CE1 4.33Å; E252-F254 VanDerWaalsContact CD-CE1 3.43Å; E252-F254 HydrophobicContact CG-CD1 3.95Å; E252-F254 HydrophobicContact CG-CE1 3.75Å; E252-F254 WeakPolarHBondContact OE2-CE1 3.3Å; F254-S276 PolarHBondContact N-O 2.78Å; F254-S278 VanDerWaalsContact CE2-N 3.25Å
255E98.3Very high85.4Confident105 Ų10569.3 Ų69.349%0.49139%0.386SS..EExtended strand (participates in β ladder)trans-157.8142.8-172.4-178.3176.3-127.800111.3V257 I275 S276E255-V257 HydrophobicContact CG-CG2 3.56Å; E255-V257 WeakPolarHBondContact OE1-CG2 3.48Å; E255-I275 WeakPolarHBondContact O-CA 3.48Å; E255-S276 PolarHBondContact N-O 3.23Å; E255-S276 PolarHBondContact O-N 3.39Å
256V98.6Very high85.8Confident10 Ų1071.4 Ų71.46%0.06139%0.393CS..EExtended strand (participates in β ladder)trans-129.3116.5168.3-178.70000108.1G225 V229 I253 I273 S274 I275G225-V256 WeakPolarHBondContact O-CG2 3.41Å; V229-V256 HydrophobicContact CG2-CG2 4.28Å; I253-V256 HydrophobicContact CG2-CG2 3.81Å; V256-I273 HydrophobicContact CG1-CG2 3.74Å; V256-S274 CarbonylContact C-O 3.51Å; V256-S274 WeakPolarHBondContact CA-O 3.34Å; V256-I275 HydrophobicContact CG1-CG1 4.29Å; V256-I275 HydrophobicContact CG2-CG1 4.31Å; V256-I275 HydrophobicContact CG2-CG2 4.27Å
257V98.3Very high86.1Confident60 Ų6073.2 Ų73.236%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-124.6124.9-177.8170.60000109.8E255 I273 S274E255-V257 HydrophobicContact CG-CG2 3.56Å; E255-V257 WeakPolarHBondContact OE1-CG2 3.48Å; V257-I273 CarbonylContact O-C 3.57Å; V257-I273 WeakPolarHBondContact O-CA 3.38Å; V257-S274 PolarHBondContact N-O 3.16Å; V257-S274 PolarHBondContact O-N 2.89Å
258V97.1Very high86.4Confident26 Ų2667.9 Ų67.916%0.15837%0.367CS..EExtended strand (participates in β ladder)trans-99.7129.7171.7-1710000108.7F211 I218 I222 R272 I273F211-V258 HydrophobicContact CZ-CG1 4.43Å; I218-V258 HydrophobicContact CG2-CG1 3.94Å; I222-V258 HydrophobicContact CD1-CB 4.28Å; I222-V258 HydrophobicContact CG1-CB 3.77Å; I222-V258 HydrophobicContact CG1-CG2 3.66Å; V258-R272 WeakPolarHBondContact CA-O 3Å; V258-I273 HydrophobicContact CG1-CG1 4.29Å; V258-I273 HydrophobicContact CG2-CD1 3.88Å; V258-I273 HydrophobicContact CG2-CG1 3.94Å; V258-I273 HydrophobicContact CG2-CG2 4.29Å
259S95.1Very high86.4Confident35 Ų3566.4 Ų66.425%0.24536%0.356CS..EExtended strand (participates in β ladder)trans-140.9158.2175.984.80000111.8C271 R272S259-C271 CarbonylContact O-C 3.53Å; S259-C271 WeakPolarHBondContact O-CA 3.47Å; S259-R272 PolarHBondContact N-O 3.4Å; S259-R272 PolarHBondContact O-N 3.02Å; S259-R272 VanDerWaalsContact OG-CG 3.3Å; S259-R272 WeakPolarHBondContact OG-CG 3.39Å; S259-R272 PolarHBondContact OG-NE 2.98Å
260D92.6Very high86.4Confident84 Ų8468.1 Ų68.145%0.44937%0.365SS..EExtended strand (participates in β ladder)trans-72.8150.4166.7-58.5-34.8000110.2K269D260-K269 WeakPolarHBondContact OD1-CE 3.45Å; D260-K269 IonicContact OD1-NZ 2.77Å; D260-K269 PolarHBondContact OD1-NZ 3.09Å; D260-K269 WeakPolarHBondContact OD2-CE 3.46Å; D260-K269 IonicContact OD2-NZ 3.18Å; D260-K269 PolarHBondContact OD2-NZ 2.81Å
261V90.2Very high86.4Confident53 Ų5364.1 Ų64.132%0.32135%0.345SS..SBendtrans-101.2-50174.4-178.70000110.2Y210 L270 R272Y210-V261 HydrophobicContact CD1-CG2 3.88Å; Y210-V261 HydrophobicContact CE1-CG1 4.36Å; Y210-V261 HydrophobicContact CE1-CG2 3.86Å; V261-L270 HydrophobicContact CB-CB 4.16Å; V261-L270 HydrophobicContact CB-CD2 4.18Å; V261-L270 HydrophobicContact CB-CG 4.24Å; V261-L270 WeakPolarHBondContact CB-O 3.42Å; V261-L270 HydrophobicContact CG1-CD2 4.1Å; V261-L270 HydrophobicContact CG2-CD2 4.28Å; V261-L270 HydrophobicContact CG2-CG 4.18Å; V261-L270 PolarHBondContact N-O 2.85Å; V261-R272 HydrophobicContact CG2-CB 3.88Å; V261-R272 HydrophobicContact CG2-CG 3.85Å
262D75.3Confident86.5Confident81 Ų8165.6 Ų65.643%0.43335%0.35SS..SBendtrans-128.5153.1-178.5-66.6-33.3000111C264D262-C264 PolarHBondContact O-N 3.13Å; D262-C264 VanDerWaalsContact O-N 3.12Å
263S64.7Low86.5Confident131 Ų13161.8 Ų61.892%0.91633%0.333SS*.  trans-82.530.2-179.3-47.50000114.2
264C64.6Low86.5Confident67 Ų6763 Ų6345%0.45334%0.341SS..  trans-80162.3-177.7-62.70000113.1D262 K269D262-C264 PolarHBondContact O-N 3.13Å; D262-C264 VanDerWaalsContact O-N 3.12Å; C264-K269 WeakPolarHBondContact O-CB 3.37Å
265D61.1Low86.5Confident139 Ų13959.3 Ų59.374%0.74333%0.325SS*.  trans-54.9150.7-178.9-70.5-33.7000114.8H267 S268 K269D265-H267 VanDerWaalsContact C-N 3.28Å; D265-H267 PolarHBondContact O-N 2.86Å; D265-S268 PolarHBondContact O-N 3.09Å; D265-K269 PolarHBondContact O-N 3.25Å; D265-K269 VanDerWaalsContact O-N 3.13Å
266H64.9Low86.5Confident143 Ų14354.6 Ų54.666%0.66230%0.303SS*.THydrogen-bonded Turntrans-56.52.8-159.3-66.1-62.4000120.4E213E213-H266 VanDerWaalsContact OE2-O 3.07Å
267H69Low86.5Confident79 Ų7954.1 Ų54.137%0.36630%0.301SS..THydrogen-bonded Turntrans-120.6-32.7176.2-66.4-36.7000114S214 D265 S385S214-H267 PolarHBondContact N-O 3.12Å; D265-H267 VanDerWaalsContact C-N 3.28Å; D265-H267 PolarHBondContact O-N 2.86Å; H267-S385 PolarHBondContact NE2-O 2.82Å
268S77Confident86.3Confident29 Ų2953.1 Ų53.120%0.20330%0.296CS..THydrogen-bonded Turntrans-106.34.9178.473.10000113D265 L270 R371D265-S268 PolarHBondContact O-N 3.09Å; S268-L270 PolarHBondContact O-N 3.24Å; S268-R371 VanDerWaalsContact CB-NH1 3.28Å; S268-R371 VanDerWaalsContact CB-NH2 3.27Å; S268-R371 VanDerWaalsContact OG-CZ 3.32Å; S268-R371 PolarHBondContact OG-NH1 3.1Å; S268-R371 PolarHBondContact OG-NH2 3.05Å
269K88Confident86.2Confident30 Ų3052.3 Ų52.313%0.1329%0.294CS..  trans-50.6124.8166.7-172.2-178.9177.5-161.30109.2E213 D260 C264 D265E213-K269 HydrophobicContact CB-CB 4.22Å; E213-K269 PolarHBondContact N-O 2.64Å; D260-K269 WeakPolarHBondContact OD1-CE 3.45Å; D260-K269 IonicContact OD1-NZ 2.77Å; D260-K269 PolarHBondContact OD1-NZ 3.09Å; D260-K269 WeakPolarHBondContact OD2-CE 3.46Å; D260-K269 IonicContact OD2-NZ 3.18Å; D260-K269 PolarHBondContact OD2-NZ 2.81Å; C264-K269 WeakPolarHBondContact O-CB 3.37Å; D265-K269 PolarHBondContact O-N 3.25Å; D265-K269 VanDerWaalsContact O-N 3.13Å
270L92.9Very high86.2Confident57 Ų5752.5 Ų52.530%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-86.8128.8178.9-168.872.1000108.8Y210 F211 V261 S268Y210-L270 HydrophobicContact CD1-CD2 4.02Å; F211-L270 WeakPolarHBondContact O-CD1 3.43Å; V261-L270 HydrophobicContact CB-CB 4.16Å; V261-L270 HydrophobicContact CB-CD2 4.18Å; V261-L270 HydrophobicContact CB-CG 4.24Å; V261-L270 WeakPolarHBondContact CB-O 3.42Å; V261-L270 HydrophobicContact CG1-CD2 4.1Å; V261-L270 HydrophobicContact CG2-CD2 4.28Å; V261-L270 HydrophobicContact CG2-CG 4.18Å; V261-L270 PolarHBondContact N-O 2.85Å; S268-L270 PolarHBondContact O-N 3.24Å
271C95.3Very high86.3Confident0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-111.6162.4173.4-61.80000109.5Y210 F211 S259Y210-C271 WeakPolarHBondContact CA-O 3.46Å; F211-C271 HydrophobicContact CD1-CB 4.26Å; F211-C271 HydrophobicContact CD2-CB 4.28Å; F211-C271 HydrophobicContact CE1-CB 3.66Å; F211-C271 HydrophobicContact CE2-CB 3.74Å; F211-C271 HydrophobicContact CZ-CB 3.39Å; F211-C271 PolarHBondContact N-O 3.47Å; F211-C271 PolarHBondContact O-N 3.33Å; S259-C271 CarbonylContact O-C 3.53Å; S259-C271 WeakPolarHBondContact O-CA 3.47Å
272R97.2Very high86.3Confident85 Ų8550 Ų5032%0.32127%0.27SS..EExtended strand (participates in β ladder)trans-134.6146.217062.6173.9177.9-173.8-5.9111E208 Y209 Y210 V258 S259 V261E208-R272 IonicContact OE1-CZ 2.73Å; E208-R272 IonicContact OE1-NH1 3.29Å; E208-R272 PolarHBondContact OE1-NH1 3.04Å; E208-R272 IonicContact OE2-NH1 3.23Å; Y209-R272 CarbonylContact O-C 3.57Å; Y209-R272 VanDerWaalsContact O-CA 3.26Å; Y209-R272 WeakPolarHBondContact O-CA 3.34Å; Y210-R272 HydrophobicContact CD1-CB 4.13Å; Y210-R272 HydrophobicContact CE1-CB 4.17Å; Y210-R272 HydrophobicContact CG-CB 4.48Å; V258-R272 WeakPolarHBondContact CA-O 3Å; S259-R272 PolarHBondContact N-O 3.4Å; S259-R272 PolarHBondContact O-N 3.02Å; S259-R272 VanDerWaalsContact OG-CG 3.3Å; S259-R272 WeakPolarHBondContact OG-CG 3.39Å; S259-R272 PolarHBondContact OG-NE 2.98Å; V261-R272 HydrophobicContact CG2-CB 3.88Å; V261-R272 HydrophobicContact CG2-CG 3.85Å
273I98.3Very high87.2Confident1 Ų147.7 Ų47.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-110.9120.7164.6-50.2-160.9000107.9E208 Y209 F211 M221 V256 V257 V258 I275 M289 L292E208-I273 CarbonylContact C-O 3.57Å; E208-I273 VanDerWaalsContact CA-O 3.3Å; E208-I273 WeakPolarHBondContact CA-O 3.31Å; Y209-I273 PolarHBondContact N-O 3.01Å; Y209-I273 PolarHBondContact O-N 3.28Å; F211-I273 HydrophobicContact CD1-CG1 4.39Å; F211-I273 HydrophobicContact CE1-CD1 4.18Å; F211-I273 HydrophobicContact CE1-CG1 3.47Å; F211-I273 VanDerWaalsContact CE1-CG1 3.47Å; F211-I273 HydrophobicContact CZ-CD1 4.32Å; F211-I273 HydrophobicContact CZ-CG1 3.99Å; M221-I273 HydrophobicContact CE-CD1 3.95Å; V256-I273 HydrophobicContact CG1-CG2 3.74Å; V257-I273 CarbonylContact O-C 3.57Å; V257-I273 WeakPolarHBondContact O-CA 3.38Å; V258-I273 HydrophobicContact CG1-CG1 4.29Å; V258-I273 HydrophobicContact CG2-CD1 3.88Å; V258-I273 HydrophobicContact CG2-CG1 3.94Å; V258-I273 HydrophobicContact CG2-CG2 4.29Å; I273-I275 HydrophobicContact CG2-CD1 4.37Å; I273-I275 HydrophobicContact CG2-CG1 3.96Å; I273-M289 HydrophobicContact CB-CE 4.45Å; I273-M289 HydrophobicContact CB-SD 4.16Å; I273-M289 HydrophobicContact CD1-CE 3.69Å; I273-M289 HydrophobicContact CD1-SD 3.95Å; I273-M289 HydrophobicContact CG1-CE 3.99Å; I273-M289 HydrophobicContact CG1-SD 4.26Å; I273-L292 HydrophobicContact CD1-CD1 3.7Å
274S98.5Very high88.7Confident27 Ų2741.6 Ų41.619%0.18921%0.213CC..EExtended strand (participates in β ladder)trans-94.1129.6170.2-174.40000109.5Y207 V256 V257Y207-S274 CarbonylContact O-C 3.31Å; Y207-S274 WeakPolarHBondContact O-CA 3.48Å; V256-S274 CarbonylContact C-O 3.51Å; V256-S274 WeakPolarHBondContact CA-O 3.34Å; V257-S274 PolarHBondContact N-O 3.16Å; V257-S274 PolarHBondContact O-N 2.89Å
275I98.7Very high90.3Very high4 Ų438.8 Ų38.82%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-126.9127.8176.6-53.7-179000108.3S206 Y207 I253 E255 V256 I273 F280 I285 V288S206-I275 WeakPolarHBondContact CA-O 3.33Å; Y207-I275 PolarHBondContact N-O 3.4Å; Y207-I275 PolarHBondContact O-N 3.34Å; I253-I275 HydrophobicContact CG2-CG2 4.14Å; E255-I275 WeakPolarHBondContact O-CA 3.48Å; V256-I275 HydrophobicContact CG1-CG1 4.29Å; V256-I275 HydrophobicContact CG2-CG1 4.31Å; V256-I275 HydrophobicContact CG2-CG2 4.27Å; I273-I275 HydrophobicContact CG2-CD1 4.37Å; I273-I275 HydrophobicContact CG2-CG1 3.96Å; I275-F280 HydrophobicContact CG2-CE1 3.8Å; I275-F280 HydrophobicContact CG2-CZ 4Å; I275-I285 HydrophobicContact CD1-CG2 4.37Å; I275-V288 HydrophobicContact CD1-CG1 3.99Å
276S98.5Very high92Very high5 Ų533.6 Ų33.64%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-121.8138.8173.477.60000112.1R205 S206 F254 E255R205-S276 WeakPolarHBondContact O-CA 3.47Å; S206-S276 WeakPolarHBondContact OG-CB 3.33Å; F254-S276 PolarHBondContact N-O 2.78Å; E255-S276 PolarHBondContact N-O 3.23Å; E255-S276 PolarHBondContact O-N 3.39Å
277A98.3Very high93.6Very high0 Ų027.1 Ų27.10%013%0.134CC..EExtended strand (participates in β ladder)trans-153166.2-173.100000112.1K204 R205 E252 I253 G279 F280K204-A277 CarbonylContact C-O 3.58Å; K204-A277 WeakPolarHBondContact CA-O 3.48Å; R205-A277 PolarHBondContact N-O 3.33Å; R205-A277 PolarHBondContact O-N 2.91Å; E252-A277 CarbonylContact O-C 3.46Å; E252-A277 WeakPolarHBondContact O-CA 3.13Å; E252-A277 WeakPolarHBondContact O-CB 3.2Å; I253-A277 HydrophobicContact CG1-CB 4.19Å; A277-G279 PolarHBondContact O-N 3.02Å; A277-F280 HydrophobicContact CB-CD1 4.29Å; A277-F280 HydrophobicContact CB-CE1 3.64Å; A277-F280 HydrophobicContact CB-CE2 3.93Å; A277-F280 HydrophobicContact CB-CZ 3.45Å; A277-F280 VanDerWaalsContact CB-CZ 3.45Å
278S95.9Very high95Very high39 Ų3923.5 Ų23.527%0.27312%0.118SC..SBendtrans-60.9-33.6170.850.40000112R205 E252 F254R205-S278 PolarHBondContact NH1-O 3Å; E252-S278 PolarHBondContact N-OG 3.24Å; E252-S278 PolarHBondContact O-N 3.09Å; E252-S278 PolarHBondContact O-OG 3.28Å; F254-S278 VanDerWaalsContact CE2-N 3.25Å
279G94.6Very high96Very high10 Ų1022.1 Ų22.110%0.10311%0.108CC..  trans-179.9173.6172.200000110.6R251 A277R251-G279 VanDerWaalsContact CD-O 3.28Å; R251-G279 WeakPolarHBondContact CD-O 3.49Å; A277-G279 PolarHBondContact O-N 3.02Å
280F95.2Very high96.5Very high39 Ų3920.7 Ų20.717%0.17110%0.102CC..  trans-124.2147.8-178.8-60.8-84000110.7R205 Y207 I275 A277 Q284 I285R205-F280 HydrophobicContact CB-CD2 4.17Å; R205-F280 HydrophobicContact CB-CE2 3.86Å; R205-F280 WeakPolarHBondContact O-CE2 3.44Å; Y207-F280 AromaticContact CD2-CD2 3.77Å; Y207-F280 HydrophobicContact CD2-CD2 3.77Å; Y207-F280 AromaticContact CD2-CE2 3.42Å; Y207-F280 HydrophobicContact CD2-CE2 3.42Å; Y207-F280 VanDerWaalsContact CD2-CE2 3.42Å; Y207-F280 HydrophobicContact CD2-CZ 4.06Å; Y207-F280 AromaticContact CE2-CD2 3.5Å; Y207-F280 HydrophobicContact CE2-CD2 3.5Å; Y207-F280 AromaticContact CE2-CE2 3.64Å; Y207-F280 HydrophobicContact CE2-CE2 3.64Å; Y207-F280 HydrophobicContact CE2-CG 4.41Å; I275-F280 HydrophobicContact CG2-CE1 3.8Å; I275-F280 HydrophobicContact CG2-CZ 4Å; A277-F280 HydrophobicContact CB-CD1 4.29Å; A277-F280 HydrophobicContact CB-CE1 3.64Å; A277-F280 HydrophobicContact CB-CE2 3.93Å; A277-F280 HydrophobicContact CB-CZ 3.45Å; A277-F280 VanDerWaalsContact CB-CZ 3.45Å; F280-Q284 HydrophobicContact CB-CB 4.37Å; F280-I285 HydrophobicContact CD1-CD1 3.8Å; F280-I285 HydrophobicContact CD1-CG1 3.58Å; F280-I285 HydrophobicContact CD2-CD1 4.08Å; F280-I285 HydrophobicContact CE1-CD1 3.83Å; F280-I285 HydrophobicContact CE1-CG1 3.72Å; F280-I285 HydrophobicContact CE2-CD1 4.12Å; F280-I285 HydrophobicContact CG-CD1 3.91Å; F280-I285 HydrophobicContact CG-CG1 4.1Å; F280-I285 HydrophobicContact CZ-CD1 3.98Å; F280-I285 HydrophobicContact CZ-CG1 4.37Å
281L93.8Very high96.8Very high14 Ų1418 Ų187%0.0739%0.088CC..  trans-77.4164.8169-61.3162.7000110.3F234 C238 T246 F249 R251 H283 Q284F234-L281 HydrophobicContact CB-CD1 3.72Å; C238-L281 HydrophobicContact CB-CB 3.59Å; C238-L281 HydrophobicContact CB-CD1 3.94Å; C238-L281 HydrophobicContact CB-CG 4.42Å; T246-L281 HydrophobicContact CG2-CD2 4.39Å; F249-L281 HydrophobicContact CB-CD1 4.26Å; F249-L281 HydrophobicContact CD1-CD1 3.99Å; F249-L281 HydrophobicContact CD1-CD2 4.29Å; R251-L281 HydrophobicContact CG-CG 4.21Å; R251-L281 VanDerWaalsContact NH2-CD2 3.27Å; L281-H283 PolarHBondContact O-N 2.91Å; L281-Q284 HydrophobicContact CB-CB 4.08Å; L281-Q284 VanDerWaalsContact O-CB 3.31Å; L281-Q284 WeakPolarHBondContact O-CB 3.39Å; L281-Q284 PolarHBondContact O-N 2.91Å
282Y91.1Very high96.9Very high69 Ų6918.1 Ų18.127%0.2719%0.088SC..THydrogen-bonded Turntrans-56.9124.9177.5-175.3-134000110.8D127 C238 A239 R241 Q284D127-Y282 WeakPolarHBondContact OD1-CE2 3.28Å; C238-Y282 WeakPolarHBondContact CB-O 3.46Å; A239-Y282 HydrophobicContact CB-CD1 3.5Å; A239-Y282 VanDerWaalsContact CB-CD1 3.5Å; A239-Y282 HydrophobicContact CB-CE1 3.96Å; A239-Y282 HydrophobicContact CB-CG 4.29Å; A239-Y282 PolarHBondContact N-O 3.26Å; R241-Y282 HydrophobicContact CB-CD1 4.32Å; Y282-Q284 PolarHBondContact O-N 3.48Å
283H93.8Very high96.9Very high33 Ų3314 Ų1415%0.1537%0.073CC..THydrogen-bonded Turntrans61.411.5-176-64.8-173000116.3D127 A239 L281 I285 R286 F287 L322D127-H283 VanDerWaalsContact CG-CD2 3.5Å; D127-H283 IonicContact OD1-CD2 3.98Å; D127-H283 IonicContact OD1-NE2 3.57Å; D127-H283 IonicContact OD2-CD2 2.66Å; D127-H283 PolarHBondContact OD2-CD2 3.37Å; D127-H283 IonicContact OD2-NE2 2.72Å; A239-H283 HydrophobicContact CB-CB 4.07Å; L281-H283 PolarHBondContact O-N 2.91Å; H283-I285 PolarHBondContact O-N 3.2Å; H283-R286 PolarHBondContact O-N 2.87Å; H283-F287 HydrophobicContact CB-CD2 3.89Å; H283-F287 HydrophobicContact CB-CE2 3.79Å; H283-F287 WeakPolarHBondContact O-CD2 3.35Å; H283-F287 PolarHBondContact O-N 2.95Å; H283-L322 HydrophobicContact CB-CD2 3.62Å; H283-L322 VanDerWaalsContact CG-CD2 3.49Å; H283-L322 WeakPolarHBondContact ND1-CD2 3.4Å
284Q96.4Very high96.9Very high3 Ų314 Ų141%0.0147%0.073CC..Hα-helixtrans-55.4-50-169.2-173.1177.2-15.400113.6F237 F280 L281 Y282 R286 F287 V288F237-Q284 HydrophobicContact CB-CG 4.45Å; F237-Q284 WeakPolarHBondContact O-CA 3.49Å; F280-Q284 HydrophobicContact CB-CB 4.37Å; L281-Q284 HydrophobicContact CB-CB 4.08Å; L281-Q284 VanDerWaalsContact O-CB 3.31Å; L281-Q284 WeakPolarHBondContact O-CB 3.39Å; L281-Q284 PolarHBondContact O-N 2.91Å; Y282-Q284 PolarHBondContact O-N 3.48Å; Q284-R286 VanDerWaalsContact C-N 3.33Å; Q284-R286 PolarHBondContact O-N 2.83Å; Q284-F287 PolarHBondContact O-N 3.03Å; Q284-V288 WeakPolarHBondContact O-CG2 3.38Å; Q284-V288 PolarHBondContact O-N 3.09Å
285I97.7Very high96.9Very high9 Ų912.9 Ų12.95%0.0466%0.064CC..Hα-helixtrans-63.9-40.5-175.4-63.1165.5000111.1Y207 I275 F280 H283 F287 V288 M289 L328Y207-I285 HydrophobicContact CD1-CD1 3.76Å; Y207-I285 HydrophobicContact CD2-CD1 3.24Å; Y207-I285 HydrophobicContact CE1-CD1 4.19Å; Y207-I285 HydrophobicContact CE2-CD1 3.73Å; Y207-I285 HydrophobicContact CG-CD1 3.24Å; I275-I285 HydrophobicContact CD1-CG2 4.37Å; F280-I285 HydrophobicContact CD1-CD1 3.8Å; F280-I285 HydrophobicContact CD1-CG1 3.58Å; F280-I285 HydrophobicContact CD2-CD1 4.08Å; F280-I285 HydrophobicContact CE1-CD1 3.83Å; F280-I285 HydrophobicContact CE1-CG1 3.72Å; F280-I285 HydrophobicContact CE2-CD1 4.12Å; F280-I285 HydrophobicContact CG-CD1 3.91Å; F280-I285 HydrophobicContact CG-CG1 4.1Å; F280-I285 HydrophobicContact CZ-CD1 3.98Å; F280-I285 HydrophobicContact CZ-CG1 4.37Å; H283-I285 PolarHBondContact O-N 3.2Å; I285-F287 VanDerWaalsContact C-N 3.32Å; I285-F287 PolarHBondContact O-N 3.45Å; I285-V288 WeakPolarHBondContact O-CB 3.28Å; I285-V288 PolarHBondContact O-N 2.8Å; I285-M289 HydrophobicContact CG2-CG 4.32Å; I285-M289 VanDerWaalsContact O-CG 3.3Å; I285-M289 WeakPolarHBondContact O-CG 3.31Å; I285-M289 PolarHBondContact O-N 2.66Å; I285-L328 HydrophobicContact CB-CD1 4.31Å; I285-L328 HydrophobicContact CB-CD2 4.44Å; I285-L328 HydrophobicContact CD1-CD1 4.33Å; I285-L328 HydrophobicContact CG2-CD1 3.61Å; I285-L328 HydrophobicContact CG2-CD2 4.48Å
286R97.8Very high96.8Very high30 Ų3012.9 Ų12.911%0.1137%0.065CC..Hα-helixtrans-66.9-34.9-178.6-67173.561.2-169.82112.1H283 Q284 S290 L322 A323 L328H283-R286 PolarHBondContact O-N 2.87Å; Q284-R286 VanDerWaalsContact C-N 3.33Å; Q284-R286 PolarHBondContact O-N 2.83Å; R286-S290 PolarHBondContact O-N 2.83Å; R286-S290 VanDerWaalsContact O-N 3.1Å; R286-S290 PolarHBondContact O-OG 3.13Å; R286-L322 HydrophobicContact CB-CB 4.47Å; R286-L322 HydrophobicContact CB-CD2 4.2Å; R286-A323 PolarHBondContact NE-O 2.86Å; R286-A323 PolarHBondContact NH2-O 2.78Å; R286-A323 WeakPolarHBondContact O-CB 3.47Å; R286-A323 PolarHBondContact O-N 2.86Å; R286-L328 HydrophobicContact CG-CD2 4.08Å
287F97.8Very high96.5Very high6 Ų614.5 Ų14.53%0.0267%0.071CC..Hα-helixtrans-72.5-39.9173.1-80.9-57.2000112.7F237 C238 A239 H283 Q284 I285 M289 S290 I291 K317 Y320 L322F237-F287 VanDerWaalsContact O-CB 3.22Å; F237-F287 WeakPolarHBondContact O-CB 3.36Å; C238-F287 VanDerWaalsContact C-CD2 3.44Å; C238-F287 WeakPolarHBondContact O-CE2 3.27Å; A239-F287 HydrophobicContact CB-CE2 4.06Å; A239-F287 VanDerWaalsContact N-CE2 3.3Å; H283-F287 HydrophobicContact CB-CD2 3.89Å; H283-F287 HydrophobicContact CB-CE2 3.79Å; H283-F287 WeakPolarHBondContact O-CD2 3.35Å; H283-F287 PolarHBondContact O-N 2.95Å; Q284-F287 PolarHBondContact O-N 3.03Å; I285-F287 VanDerWaalsContact C-N 3.32Å; I285-F287 PolarHBondContact O-N 3.45Å; F287-M289 VanDerWaalsContact C-N 3.3Å; F287-M289 PolarHBondContact O-N 3.01Å; F287-S290 WeakPolarHBondContact O-CB 3.43Å; F287-S290 PolarHBondContact O-N 3.01Å; F287-I291 PolarHBondContact O-N 2.93Å; F287-K317 VanDerWaalsContact CE1-NZ 3.25Å; F287-Y320 HydrophobicContact CB-CE2 3.86Å; F287-Y320 AromaticContact CD1-CD2 3.8Å; F287-Y320 HydrophobicContact CD1-CD2 3.8Å; F287-Y320 AromaticContact CD1-CE2 3.22Å; F287-Y320 HydrophobicContact CD1-CE2 3.22Å; F287-Y320 AromaticContact CD1-CZ 3.65Å; F287-Y320 HydrophobicContact CE1-CD2 4.33Å; F287-Y320 HydrophobicContact CE1-CE2 4.07Å; F287-Y320 AromaticContact CG-CE2 3.93Å; F287-Y320 HydrophobicContact CG-CE2 3.93Å; F287-L322 HydrophobicContact CD1-CD1 4.23Å; F287-L322 HydrophobicContact CD1-CG 3.91Å; F287-L322 HydrophobicContact CD2-CD2 4.43Å; F287-L322 HydrophobicContact CD2-CG 4.26Å; F287-L322 HydrophobicContact CE1-CD1 3.36Å; F287-L322 HydrophobicContact CE1-CG 3.54Å; F287-L322 HydrophobicContact CE2-CD1 3.88Å; F287-L322 HydrophobicContact CE2-CD2 4.03Å; F287-L322 HydrophobicContact CE2-CG 3.86Å; F287-L322 HydrophobicContact CG-CG 4.3Å; F287-L322 HydrophobicContact CZ-CD1 3.14Å; F287-L322 HydrophobicContact CZ-CD2 4.13Å; F287-L322 HydrophobicContact CZ-CG 3.51Å
288V98.4Very high96.4Very high4 Ų417.3 Ų17.32%0.02410%0.1CC..Hα-helixtrans-54.5-49.8169.7164.10000110L228 F237 I275 Q284 I285 S290 I291 L292L228-V288 HydrophobicContact CD1-CG1 3.46Å; L228-V288 VanDerWaalsContact CD1-CG1 3.46Å; L228-V288 HydrophobicContact CD1-CG2 4.29Å; F237-V288 HydrophobicContact CB-CG2 4.26Å; F237-V288 HydrophobicContact CD1-CG2 3.84Å; F237-V288 HydrophobicContact CG-CG2 4.4Å; I275-V288 HydrophobicContact CD1-CG1 3.99Å; Q284-V288 WeakPolarHBondContact O-CG2 3.38Å; Q284-V288 PolarHBondContact O-N 3.09Å; I285-V288 WeakPolarHBondContact O-CB 3.28Å; I285-V288 PolarHBondContact O-N 2.8Å; V288-S290 VanDerWaalsContact C-N 3.35Å; V288-S290 PolarHBondContact O-N 2.8Å; V288-I291 PolarHBondContact O-N 3.21Å; V288-I291 VanDerWaalsContact O-N 3.09Å; V288-L292 HydrophobicContact CG1-CD1 3.88Å; V288-L292 HydrophobicContact CG1-CG 4.19Å; V288-L292 WeakPolarHBondContact O-CG 3.41Å; V288-L292 PolarHBondContact O-N 3.08Å
289M98.5Very high96.3Very high0 Ų017.7 Ų17.70%010%0.096CC..Hα-helixtrans-60.3-41179.2-69.6-53.3-54.700112.6Y209 F211 I273 I285 F287 I291 L292 F293 A323Y209-M289 HydrophobicContact CD1-CE 3.68Å; Y209-M289 HydrophobicContact CD1-CG 4.1Å; Y209-M289 HydrophobicContact CD1-SD 4.37Å; Y209-M289 HydrophobicContact CD2-CB 4.44Å; Y209-M289 HydrophobicContact CD2-CG 3.67Å; Y209-M289 HydrophobicContact CE1-CE 4.3Å; Y209-M289 HydrophobicContact CE2-CB 4.42Å; Y209-M289 HydrophobicContact CE2-CG 4.13Å; Y209-M289 HydrophobicContact CG-CE 4Å; Y209-M289 HydrophobicContact CG-CG 3.64Å; Y209-M289 HydrophobicContact CG-SD 4.07Å; F211-M289 HydrophobicContact CD1-CE 4.38Å; I273-M289 HydrophobicContact CB-CE 4.45Å; I273-M289 HydrophobicContact CB-SD 4.16Å; I273-M289 HydrophobicContact CD1-CE 3.69Å; I273-M289 HydrophobicContact CD1-SD 3.95Å; I273-M289 HydrophobicContact CG1-CE 3.99Å; I273-M289 HydrophobicContact CG1-SD 4.26Å; I285-M289 HydrophobicContact CG2-CG 4.32Å; I285-M289 VanDerWaalsContact O-CG 3.3Å; I285-M289 WeakPolarHBondContact O-CG 3.31Å; I285-M289 PolarHBondContact O-N 2.66Å; F287-M289 VanDerWaalsContact C-N 3.3Å; F287-M289 PolarHBondContact O-N 3.01Å; M289-I291 VanDerWaalsContact C-N 3.28Å; M289-I291 PolarHBondContact O-N 3.42Å; M289-L292 PolarHBondContact O-N 3.3Å; M289-L292 HydrophobicContact SD-CD1 4.16Å; M289-F293 HydrophobicContact CB-CD2 4.32Å; M289-F293 HydrophobicContact CB-CE2 3.91Å; M289-F293 HydrophobicContact CB-CZ 4.48Å; M289-F293 HydrophobicContact CE-CD1 4.48Å; M289-F293 HydrophobicContact CE-CE1 3.66Å; M289-F293 HydrophobicContact CE-CE2 3.88Å; M289-F293 HydrophobicContact CE-CZ 3.32Å; M289-F293 WeakPolarHBondContact O-CB 3.35Å; M289-F293 WeakPolarHBondContact O-CD2 3.38Å; M289-F293 WeakPolarHBondContact O-CG 3.4Å; M289-F293 PolarHBondContact O-N 3.13Å; M289-A323 HydrophobicContact CB-CB 3.96Å
290S97.8Very high96.4Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-54.5-44.5173.6-61.40000112.4R286 F287 V288 F293 M294 Q321 A323R286-S290 PolarHBondContact O-N 2.83Å; R286-S290 VanDerWaalsContact O-N 3.1Å; R286-S290 PolarHBondContact O-OG 3.13Å; F287-S290 WeakPolarHBondContact O-CB 3.43Å; F287-S290 PolarHBondContact O-N 3.01Å; V288-S290 VanDerWaalsContact C-N 3.35Å; V288-S290 PolarHBondContact O-N 2.8Å; S290-F293 PolarHBondContact O-N 3.31Å; S290-M294 WeakPolarHBondContact O-CG 3.26Å; S290-M294 PolarHBondContact O-N 2.85Å; S290-Q321 WeakPolarHBondContact CB-O 3.39Å; S290-Q321 PolarHBondContact OG-O 3.26Å; S290-A323 PolarHBondContact OG-N 3.33Å
291I98.2Very high96.6Very high1 Ų118.5 Ų18.51%0.00510%0.103CC..Hα-helixtrans-68.3-45.7179.4-66.3168.7000111.1F237 F287 V288 M289 F293 M294 V295 V304 V305 M308 Y320 L416F237-I291 HydrophobicContact CD1-CD1 3.58Å; F237-I291 HydrophobicContact CE1-CD1 3.36Å; F237-I291 HydrophobicContact CZ-CD1 4.27Å; F287-I291 PolarHBondContact O-N 2.93Å; V288-I291 PolarHBondContact O-N 3.21Å; V288-I291 VanDerWaalsContact O-N 3.09Å; M289-I291 VanDerWaalsContact C-N 3.28Å; M289-I291 PolarHBondContact O-N 3.42Å; I291-F293 VanDerWaalsContact C-N 3.25Å; I291-F293 PolarHBondContact O-N 3.3Å; I291-M294 HydrophobicContact CB-CE 4.3Å; I291-M294 HydrophobicContact CG1-CE 3.82Å; I291-M294 WeakPolarHBondContact O-CB 3.38Å; I291-M294 PolarHBondContact O-N 3.12Å; I291-M294 VanDerWaalsContact O-N 3.12Å; I291-V295 WeakPolarHBondContact O-CG2 3.43Å; I291-V295 PolarHBondContact O-N 2.96Å; I291-V304 HydrophobicContact CG2-CG1 3.77Å; I291-V305 HydrophobicContact CG2-CG2 4.19Å; I291-M308 HydrophobicContact CD1-CE 3.87Å; I291-Y320 HydrophobicContact CD1-CE2 4.03Å; I291-Y320 HydrophobicContact CG1-CE2 3.98Å; I291-L416 HydrophobicContact CD1-CD1 4.48Å; I291-L416 HydrophobicContact CG1-CD1 4.17Å
292L98.5Very high96.8Very high1 Ų118.8 Ų18.81%0.00511%0.105CC..Hα-helixtrans-59.9-38.2176.4-62.8-178.3000111.3M221 A224 I273 V288 M289 V295 G296M221-L292 HydrophobicContact CE-CB 3.95Å; M221-L292 WeakPolarHBondContact CG-O 3.34Å; A224-L292 HydrophobicContact CB-CD2 3.59Å; I273-L292 HydrophobicContact CD1-CD1 3.7Å; V288-L292 HydrophobicContact CG1-CD1 3.88Å; V288-L292 HydrophobicContact CG1-CG 4.19Å; V288-L292 WeakPolarHBondContact O-CG 3.41Å; V288-L292 PolarHBondContact O-N 3.08Å; M289-L292 PolarHBondContact O-N 3.3Å; M289-L292 HydrophobicContact SD-CD1 4.16Å; L292-V295 PolarHBondContact O-N 3.5Å; L292-G296 PolarHBondContact O-N 3.44Å
293F97.8Very high97.1Very high0 Ų017.7 Ų17.70%011%0.108CC..Hα-helixtrans-68.2-37.2175-64.7-43000113.3Y209 F211 L216 M221 M289 S290 I291 V295 G296 R297 A323 L391 I394 S395 A398Y209-F293 HydrophobicContact CD1-CZ 4.1Å; Y209-F293 AromaticContact CE1-CE2 3.89Å; Y209-F293 HydrophobicContact CE1-CE2 3.89Å; Y209-F293 AromaticContact CE1-CZ 3.69Å; Y209-F293 HydrophobicContact CE1-CZ 3.69Å; F211-F293 HydrophobicContact CB-CE1 3.9Å; F211-F293 HydrophobicContact CB-CZ 3.78Å; F211-F293 HydrophobicContact CD1-CE1 4.25Å; F211-F293 HydrophobicContact CD1-CZ 4.43Å; F211-F293 AromaticContact CD2-CE1 3.58Å; F211-F293 HydrophobicContact CD2-CE1 3.58Å; F211-F293 HydrophobicContact CD2-CZ 4.32Å; F211-F293 HydrophobicContact CE2-CE1 4.14Å; F211-F293 AromaticContact CG-CE1 3.64Å; F211-F293 HydrophobicContact CG-CE1 3.64Å; F211-F293 AromaticContact CG-CZ 3.93Å; F211-F293 HydrophobicContact CG-CZ 3.93Å; L216-F293 HydrophobicContact CD1-CD1 3.9Å; L216-F293 HydrophobicContact CD1-CE1 4.28Å; M221-F293 HydrophobicContact CE-CD1 3.79Å; M221-F293 HydrophobicContact CE-CE1 4.06Å; M289-F293 HydrophobicContact CB-CD2 4.32Å; M289-F293 HydrophobicContact CB-CE2 3.91Å; M289-F293 HydrophobicContact CB-CZ 4.48Å; M289-F293 HydrophobicContact CE-CD1 4.48Å; M289-F293 HydrophobicContact CE-CE1 3.66Å; M289-F293 HydrophobicContact CE-CE2 3.88Å; M289-F293 HydrophobicContact CE-CZ 3.32Å; M289-F293 WeakPolarHBondContact O-CB 3.35Å; M289-F293 WeakPolarHBondContact O-CD2 3.38Å; M289-F293 WeakPolarHBondContact O-CG 3.4Å; M289-F293 PolarHBondContact O-N 3.13Å; S290-F293 PolarHBondContact O-N 3.31Å; I291-F293 VanDerWaalsContact C-N 3.25Å; I291-F293 PolarHBondContact O-N 3.3Å; F293-V295 VanDerWaalsContact C-N 3.31Å; F293-V295 PolarHBondContact O-N 3.04Å; F293-G296 PolarHBondContact O-N 3.43Å; F293-R297 WeakPolarHBondContact O-CG 3.3Å; F293-R297 PolarHBondContact O-N 3.45Å; F293-A323 HydrophobicContact CD2-CB 4.46Å; F293-A323 HydrophobicContact CE2-CB 4.16Å; F293-L391 HydrophobicContact CB-CD2 4.17Å; F293-L391 HydrophobicContact CD1-CD1 4.14Å; F293-L391 HydrophobicContact CD1-CD2 4.04Å; F293-L391 HydrophobicContact CE1-CD1 3.94Å; F293-L391 HydrophobicContact CE2-CD1 4.47Å; F293-L391 HydrophobicContact CG-CD2 4.11Å; F293-L391 HydrophobicContact CZ-CD1 4.1Å; F293-I394 HydrophobicContact CE2-CG2 4Å; F293-I394 HydrophobicContact CZ-CG2 4.19Å; F293-S395 WeakPolarHBondContact CD2-OG 3.19Å; F293-A398 HydrophobicContact CB-CB 3.48Å; F293-A398 VanDerWaalsContact CB-CB 3.48Å
294M97.3Very high97.3Very high1 Ų116.5 Ų16.51%0.00510%0.103CC..Hα-helixtrans-61.1-41.4171.6-75.4-176.5-76.800111.5S290 I291 R297 G298 Y299 E300 Y320 E397 L416S290-M294 WeakPolarHBondContact O-CG 3.26Å; S290-M294 PolarHBondContact O-N 2.85Å; I291-M294 HydrophobicContact CB-CE 4.3Å; I291-M294 HydrophobicContact CG1-CE 3.82Å; I291-M294 WeakPolarHBondContact O-CB 3.38Å; I291-M294 PolarHBondContact O-N 3.12Å; I291-M294 VanDerWaalsContact O-N 3.12Å; M294-R297 PolarHBondContact O-N 2.91Å; M294-G298 PolarHBondContact O-N 2.9Å; M294-Y299 PolarHBondContact O-N 2.84Å; M294-E300 HydrophobicContact CB-CB 4.38Å; M294-E300 HydrophobicContact CB-CG 4.12Å; M294-E300 PolarHBondContact O-N 3.11Å; M294-Y320 HydrophobicContact CE-CD2 4.45Å; M294-E397 HydrophobicContact CE-CB 4.31Å; M294-E397 HydrophobicContact CE-CG 4.49Å; M294-E397 HydrophobicContact CG-CB 3.81Å; M294-E397 WeakPolarHBondContact CG-O 3.44Å; M294-E397 HydrophobicContact SD-CB 3.94Å; M294-E397 HydrophobicContact SD-CG 4.42Å; M294-L416 HydrophobicContact CE-CD1 3.87Å; M294-L416 HydrophobicContact CE-CD2 4.04Å; M294-L416 HydrophobicContact CE-CG 4.16Å; M294-L416 HydrophobicContact SD-CD2 4.36Å; M294-L416 HydrophobicContact SD-CG 4.41Å
295V98.1Very high97.4Very high2 Ų216.4 Ų16.41%0.01210%0.103CC..Hα-helixtrans-64.6-46.7174.4173.30000111.1S220 A224 I291 L292 F293 R297 G298 E300 P302 V304S220-V295 WeakPolarHBondContact O-CG1 3.47Å; A224-V295 HydrophobicContact CB-CB 4.37Å; A224-V295 HydrophobicContact CB-CG1 4.05Å; A224-V295 HydrophobicContact CB-CG2 4.12Å; I291-V295 WeakPolarHBondContact O-CG2 3.43Å; I291-V295 PolarHBondContact O-N 2.96Å; L292-V295 PolarHBondContact O-N 3.5Å; F293-V295 VanDerWaalsContact C-N 3.31Å; F293-V295 PolarHBondContact O-N 3.04Å; V295-R297 VanDerWaalsContact C-N 3.27Å; V295-R297 PolarHBondContact O-N 3.35Å; V295-G298 WeakPolarHBondContact O-CA 3.47Å; V295-G298 PolarHBondContact O-N 2.82Å; V295-E300 WeakPolarHBondContact CA-O 3.42Å; V295-E300 HydrophobicContact CG2-CB 4.08Å; V295-P302 HydrophobicContact CG1-CG 3.93Å; V295-V304 HydrophobicContact CG2-CG1 3.87Å
296G96.5Very high97.5Very high4 Ų418.7 Ų18.74%0.04112%0.115CC..Hα-helixtrans-62.1-31.6178.400000113.4L216 D217 L292 F293 G298L216-G296 CarbonylContact C-O 3.57Å; L216-G296 WeakPolarHBondContact CA-O 3.3Å; L216-G296 VanDerWaalsContact CD2-C 3.43Å; D217-G296 PolarHBondContact N-O 3.21Å; L292-G296 PolarHBondContact O-N 3.44Å; F293-G296 PolarHBondContact O-N 3.43Å; G296-G298 VanDerWaalsContact C-N 3.29Å
297R93.9Very high97.5Very high39 Ų3919.9 Ų19.915%0.14712%0.123CC..THydrogen-bonded Turntrans-79.6-7.8171.7-71.9-65.7-164.5-174.21.9113.9S214 L216 F293 M294 V295 Y299 N388 A398S214-R297 PolarHBondContact O-NH1 3.11Å; L216-R297 HydrophobicContact CD2-CB 4.44Å; L216-R297 HydrophobicContact CD2-CG 3.65Å; F293-R297 WeakPolarHBondContact O-CG 3.3Å; F293-R297 PolarHBondContact O-N 3.45Å; M294-R297 PolarHBondContact O-N 2.91Å; V295-R297 VanDerWaalsContact C-N 3.27Å; V295-R297 PolarHBondContact O-N 3.35Å; R297-Y299 VanDerWaalsContact C-N 3.3Å; R297-Y299 HydrophobicContact CB-CD1 4.26Å; R297-Y299 HydrophobicContact CB-CD2 3.55Å; R297-Y299 HydrophobicContact CB-CE1 4.14Å; R297-Y299 HydrophobicContact CB-CE2 3.41Å; R297-Y299 VanDerWaalsContact CB-CE2 3.41Å; R297-Y299 HydrophobicContact CB-CG 3.97Å; R297-Y299 HydrophobicContact CG-CD2 4.22Å; R297-Y299 HydrophobicContact CG-CE2 3.74Å; R297-N388 PolarHBondContact NH2-O 3.45Å; R297-N388 VanDerWaalsContact NH2-O 3.08Å; R297-A398 HydrophobicContact CG-CB 3.75Å; R297-A398 PolarHBondContact NE-O 3.04Å
298G94.8Very high97.5Very high59 Ų5919.8 Ų19.861%0.60812%0.123SC*.THydrogen-bonded Turntrans74.614.7-174.500000114.5M294 V295 G296 E300M294-G298 PolarHBondContact O-N 2.9Å; V295-G298 WeakPolarHBondContact O-CA 3.47Å; V295-G298 PolarHBondContact O-N 2.82Å; G296-G298 VanDerWaalsContact C-N 3.29Å; G298-E300 VanDerWaalsContact C-N 3.32Å
299Y94.8Very high97.4Very high48 Ų4820.6 Ų20.619%0.18813%0.127CC..SBendtrans-76.1-25.3175.4-57-29.3000112.1M294 R297 K399 I401 I413M294-Y299 PolarHBondContact O-N 2.84Å; R297-Y299 VanDerWaalsContact C-N 3.3Å; R297-Y299 HydrophobicContact CB-CD1 4.26Å; R297-Y299 HydrophobicContact CB-CD2 3.55Å; R297-Y299 HydrophobicContact CB-CE1 4.14Å; R297-Y299 HydrophobicContact CB-CE2 3.41Å; R297-Y299 VanDerWaalsContact CB-CE2 3.41Å; R297-Y299 HydrophobicContact CB-CG 3.97Å; R297-Y299 HydrophobicContact CG-CD2 4.22Å; R297-Y299 HydrophobicContact CG-CE2 3.74Å; Y299-K399 PolarHBondContact OH-O 2.71Å; Y299-K399 VanDerWaalsContact OH-O 3.06Å; Y299-I401 HydrophobicContact CE1-CD1 3.9Å; Y299-I401 WeakPolarHBondContact OH-CD1 3.02Å; Y299-I401 WeakPolarHBondContact OH-CG1 3.42Å; Y299-I413 HydrophobicContact CD1-CD1 4.3Å; Y299-I413 HydrophobicContact CD2-CB 4.49Å; Y299-I413 HydrophobicContact CD2-CD1 3.3Å; Y299-I413 HydrophobicContact CD2-CG1 4.47Å; Y299-I413 HydrophobicContact CD2-CG2 4.38Å; Y299-I413 HydrophobicContact CE1-CD1 4.16Å; Y299-I413 HydrophobicContact CE2-CD1 3.11Å; Y299-I413 HydrophobicContact CG-CB 4.41Å; Y299-I413 HydrophobicContact CG-CD1 3.93Å; Y299-I413 HydrophobicContact CG-CG2 4.42Å
300E97.1Very high97.4Very high16 Ų1623.3 Ų23.38%0.07514%0.142CC..SBendtrans-128.4156.4169-68.1-66.8-176.300110.8M294 V295 G298 V304 K415 L416M294-E300 HydrophobicContact CB-CB 4.38Å; M294-E300 HydrophobicContact CB-CG 4.12Å; M294-E300 PolarHBondContact O-N 3.11Å; V295-E300 WeakPolarHBondContact CA-O 3.42Å; V295-E300 HydrophobicContact CG2-CB 4.08Å; G298-E300 VanDerWaalsContact C-N 3.32Å; E300-V304 HydrophobicContact CB-CB 4.11Å; E300-V304 HydrophobicContact CB-CG1 3.89Å; E300-V304 HydrophobicContact CB-CG2 4.37Å; E300-V304 HydrophobicContact CG-CB 4.44Å; E300-V304 HydrophobicContact CG-CG1 4.41Å; E300-V304 HydrophobicContact CG-CG2 4.15Å; E300-K415 WeakPolarHBondContact OE1-CA 3.38Å; E300-K415 WeakPolarHBondContact OE1-CB 3.43Å; E300-L416 PolarHBondContact OE1-N 3.03Å
301S97.6Very high97.2Very high50 Ų5026 Ų2635%0.3516%0.155SC..  trans-86.1156.3167.651.60000110.5S303 V304S301-S303 PolarHBondContact O-N 3.38Å; S301-S303 PolarHBondContact OG-OG 3.04Å; S301-V304 WeakPolarHBondContact O-CB 3.19Å; S301-V304 WeakPolarHBondContact O-CG1 3.09Å; S301-V304 PolarHBondContact O-N 3.18Å
302P98.6Very high97Very high20 Ų2030.8 Ų30.813%0.1319%0.189CC..THydrogen-bonded Turntrans-52.7-31.1176.9-29.235.8000114.9D223 A224 V295 V304 V305D223-P302 HydrophobicContact CB-CB 4.09Å; D223-P302 HydrophobicContact CB-CG 4.23Å; D223-P302 VanDerWaalsContact OD2-CB 3.25Å; D223-P302 WeakPolarHBondContact OD2-CB 3.2Å; A224-P302 HydrophobicContact CB-CB 4.09Å; V295-P302 HydrophobicContact CG1-CG 3.93Å; P302-V304 PolarHBondContact O-N 2.94Å; P302-V304 VanDerWaalsContact O-N 3.07Å; P302-V305 PolarHBondContact O-N 3.06Å
303S98.1Very high96.8Very high46 Ų4636.6 Ų36.632%0.32222%0.215SC..THydrogen-bonded Turntrans-59.6-16.1176.465.10000114.7S301 V305 D306 D307S301-S303 PolarHBondContact O-N 3.38Å; S301-S303 PolarHBondContact OG-OG 3.04Å; S303-V305 PolarHBondContact O-N 2.99Å; S303-D306 WeakPolarHBondContact O-CB 3.41Å; S303-D306 PolarHBondContact O-N 3.42Å; S303-D306 VanDerWaalsContact O-N 3.1Å; S303-D307 PolarHBondContact O-N 3.03Å; S303-D307 VanDerWaalsContact O-N 3.14Å
304V98.2Very high96.7Very high8 Ų837.7 Ų37.75%0.04822%0.221CC..Hα-helixtrans-58.5-29.3175.275.10000111.6I291 V295 E300 S301 P302 D307 M308 L416I291-V304 HydrophobicContact CG2-CG1 3.77Å; V295-V304 HydrophobicContact CG2-CG1 3.87Å; E300-V304 HydrophobicContact CB-CB 4.11Å; E300-V304 HydrophobicContact CB-CG1 3.89Å; E300-V304 HydrophobicContact CB-CG2 4.37Å; E300-V304 HydrophobicContact CG-CB 4.44Å; E300-V304 HydrophobicContact CG-CG1 4.41Å; E300-V304 HydrophobicContact CG-CG2 4.15Å; S301-V304 WeakPolarHBondContact O-CB 3.19Å; S301-V304 WeakPolarHBondContact O-CG1 3.09Å; S301-V304 PolarHBondContact O-N 3.18Å; P302-V304 PolarHBondContact O-N 2.94Å; P302-V304 VanDerWaalsContact O-N 3.07Å; V304-D307 PolarHBondContact O-N 2.94Å; V304-M308 HydrophobicContact CG2-CG 4.36Å; V304-M308 VanDerWaalsContact O-CB 3.32Å; V304-M308 WeakPolarHBondContact O-CB 3.49Å; V304-M308 WeakPolarHBondContact O-CG 3.4Å; V304-M308 PolarHBondContact O-N 2.82Å; V304-L416 HydrophobicContact CG2-CB 4.49Å; V304-L416 HydrophobicContact CG2-CD1 3.88Å
305V98.5Very high96.5Very high1 Ų141.3 Ų41.31%0.00625%0.245CC..Hα-helixtrans-64.8-46176.1173.90000110.5A224 R227 L228 F237 I291 P302 S303 D307 M308 L309A224-V305 HydrophobicContact CB-CG2 3.95Å; R227-V305 HydrophobicContact CB-CB 4.09Å; R227-V305 HydrophobicContact CB-CG1 3.7Å; L228-V305 HydrophobicContact CD2-CG1 3.48Å; L228-V305 VanDerWaalsContact CD2-CG1 3.48Å; L228-V305 HydrophobicContact CG-CG1 3.84Å; F237-V305 HydrophobicContact CZ-CG1 4.34Å; I291-V305 HydrophobicContact CG2-CG2 4.19Å; P302-V305 PolarHBondContact O-N 3.06Å; S303-V305 PolarHBondContact O-N 2.99Å; V305-D307 VanDerWaalsContact C-N 3.35Å; V305-D307 PolarHBondContact O-N 3.15Å; V305-M308 PolarHBondContact O-N 3.3Å; V305-L309 HydrophobicContact CG1-CD1 3.86Å; V305-L309 HydrophobicContact CG1-CG 4.42Å; V305-L309 VanDerWaalsContact O-CG 3.29Å; V305-L309 WeakPolarHBondContact O-CG 3.45Å; V305-L309 PolarHBondContact O-N 2.75Å
306D98.4Very high96.2Very high57 Ų5741.5 Ų41.531%0.30525%0.247SC..Hα-helixtrans-61.6-44.9177.5-53.9-46.1000111R227 S303 M308 L309 D310R227-D306 IonicContact CZ-OD2 2.99Å; R227-D306 IonicContact NE-OD2 3.42Å; R227-D306 IonicContact NH1-OD1 3.51Å; R227-D306 IonicContact NH1-OD2 3.79Å; R227-D306 PolarHBondContact NH1-OD2 3.25Å; S303-D306 WeakPolarHBondContact O-CB 3.41Å; S303-D306 PolarHBondContact O-N 3.42Å; S303-D306 VanDerWaalsContact O-N 3.1Å; D306-M308 VanDerWaalsContact C-N 3.27Å; D306-M308 PolarHBondContact O-N 3.36Å; D306-L309 PolarHBondContact O-N 3.04Å; D306-D310 WeakPolarHBondContact O-CB 3.41Å; D306-D310 PolarHBondContact O-N 2.83Å
307D97.8Very high96.1Very high55 Ų5541.7 Ų41.729%0.29425%0.246SC..Hα-helixtrans-63-34.6178.7-67.9-25.3000112.2S303 V304 V305 K313 T314S303-D307 PolarHBondContact O-N 3.03Å; S303-D307 VanDerWaalsContact O-N 3.14Å; V304-D307 PolarHBondContact O-N 2.94Å; V305-D307 VanDerWaalsContact C-N 3.35Å; V305-D307 PolarHBondContact O-N 3.15Å; D307-K313 HydrophobicContact CB-CD 4.34Å; D307-K313 VanDerWaalsContact OD1-CD 3.24Å; D307-K313 WeakPolarHBondContact OD1-CD 3.08Å; D307-K313 IonicContact OD1-NZ 2.74Å; D307-K313 PolarHBondContact OD1-NZ 3.47Å; D307-T314 VanDerWaalsContact O-CB 3.3Å; D307-T314 WeakPolarHBondContact O-CB 3.35Å; D307-T314 PolarHBondContact O-OG1 2.92Å
308M97.6Very high96.2Very high3 Ų340 Ų402%0.01524%0.24CC..Hα-helixtrans-77.3-27.5178.4-73.7-76.8-74.500113.1N236 F237 I291 V304 V305 D306 T314 P318 Y320 L416N236-M308 HydrophobicContact CB-CE 3.77Å; N236-M308 WeakPolarHBondContact CB-O 3.4Å; N236-M308 HydrophobicContact CB-SD 4.38Å; N236-M308 PolarHBondContact ND2-O 2.89Å; N236-M308 VanDerWaalsContact O-CE 3.24Å; N236-M308 WeakPolarHBondContact O-CE 3.1Å; F237-M308 HydrophobicContact CE1-CB 4.4Å; F237-M308 HydrophobicContact CE2-CB 3.61Å; F237-M308 HydrophobicContact CZ-CB 3.45Å; F237-M308 VanDerWaalsContact CZ-CB 3.45Å; F237-M308 HydrophobicContact CZ-CG 4.4Å; I291-M308 HydrophobicContact CD1-CE 3.87Å; V304-M308 HydrophobicContact CG2-CG 4.36Å; V304-M308 VanDerWaalsContact O-CB 3.32Å; V304-M308 WeakPolarHBondContact O-CB 3.49Å; V304-M308 WeakPolarHBondContact O-CG 3.4Å; V304-M308 PolarHBondContact O-N 2.82Å; V305-M308 PolarHBondContact O-N 3.3Å; D306-M308 VanDerWaalsContact C-N 3.27Å; D306-M308 PolarHBondContact O-N 3.36Å; M308-T314 HydrophobicContact SD-CG2 3.89Å; M308-P318 HydrophobicContact CE-CG 3.87Å; M308-P318 HydrophobicContact SD-CG 3.57Å; M308-P318 VanDerWaalsContact SD-CG 3.57Å; M308-Y320 HydrophobicContact CE-CE1 3.8Å; M308-L416 HydrophobicContact CE-CD1 4.45Å; M308-L416 HydrophobicContact SD-CD1 4.32Å
309L97.7Very high96.2Very high22 Ų2242 Ų4212%0.11523%0.234CC..Hα-helixtrans-81.6-27.6174.2-65.7170.5000111.9H232 F234 F237 V305 D306 L311H232-L309 HydrophobicContact CB-CD2 3.76Å; F234-L309 HydrophobicContact CD1-CD2 3.96Å; F234-L309 HydrophobicContact CE1-CD2 3.83Å; F234-L309 HydrophobicContact CZ-CD2 4.4Å; F237-L309 HydrophobicContact CD2-CD2 4Å; F237-L309 HydrophobicContact CE2-CD2 3.41Å; F237-L309 VanDerWaalsContact CE2-CD2 3.41Å; F237-L309 HydrophobicContact CE2-CG 3.78Å; F237-L309 HydrophobicContact CZ-CD2 4.15Å; F237-L309 HydrophobicContact CZ-CG 4.17Å; V305-L309 HydrophobicContact CG1-CD1 3.86Å; V305-L309 HydrophobicContact CG1-CG 4.42Å; V305-L309 VanDerWaalsContact O-CG 3.29Å; V305-L309 WeakPolarHBondContact O-CG 3.45Å; V305-L309 PolarHBondContact O-N 2.75Å; D306-L309 PolarHBondContact O-N 3.04Å; L309-L311 PolarHBondContact O-N 3.38Å
310D97Very high96.2Very high57 Ų5740.5 Ų40.531%0.30523%0.228SC..  trans-79.6101.7175.6-176.4-6.9000111.8D306 S312 K313 T314D306-D310 WeakPolarHBondContact O-CB 3.41Å; D306-D310 PolarHBondContact O-N 2.83Å; D310-S312 VanDerWaalsContact CG-OG 3.28Å; D310-S312 PolarHBondContact O-N 2.86Å; D310-S312 VanDerWaalsContact O-N 3.17Å; D310-S312 VanDerWaalsContact OD1-CB 3.28Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3Å; D310-S312 PolarHBondContact OD1-OG 3.4Å; D310-S312 PolarHBondContact OD2-OG 3Å; D310-K313 HydrophobicContact CB-CB 4.34Å; D310-K313 HydrophobicContact CB-CD 4.19Å; D310-K313 HydrophobicContact CB-CG 4.37Å; D310-K313 PolarHBondContact O-N 3.48Å; D310-K313 WeakPolarHBondContact OD2-CD 3.36Å; D310-K313 WeakPolarHBondContact OD2-CG 3.45Å; D310-T314 PolarHBondContact O-N 2.88Å
311L94.2Very high96.1Very high55 Ų5545 Ų4529%0.28825%0.249SC..THydrogen-bonded Turntrans-65.8-15.2179.9-58.6-175.2000114D233 R235 L309 P315D233-L311 HydrophobicContact CB-CD1 4.29Å; R235-L311 HydrophobicContact CG-CD2 3.9Å; L309-L311 PolarHBondContact O-N 3.38Å; L311-P315 VanDerWaalsContact O-CA 3.23Å; L311-P315 WeakPolarHBondContact O-CA 3.32Å
312S94.8Very high95.9Very high102 Ų10244.9 Ų44.971%0.71324%0.244SC*.THydrogen-bonded Turntrans-75.1-31.1172.976.90000111.9D310D310-S312 VanDerWaalsContact CG-OG 3.28Å; D310-S312 PolarHBondContact O-N 2.86Å; D310-S312 VanDerWaalsContact O-N 3.17Å; D310-S312 VanDerWaalsContact OD1-CB 3.28Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3Å; D310-S312 PolarHBondContact OD1-OG 3.4Å; D310-S312 PolarHBondContact OD2-OG 3Å
313K94.8Very high95.9Very high124 Ų12443.9 Ų43.954%0.53924%0.238SC..THydrogen-bonded Turntrans-87.7-42.8175.6-68.6178.2179.8176.90112.1D307 D310 P315D307-K313 HydrophobicContact CB-CD 4.34Å; D307-K313 VanDerWaalsContact OD1-CD 3.24Å; D307-K313 WeakPolarHBondContact OD1-CD 3.08Å; D307-K313 IonicContact OD1-NZ 2.74Å; D307-K313 PolarHBondContact OD1-NZ 3.47Å; D310-K313 HydrophobicContact CB-CB 4.34Å; D310-K313 HydrophobicContact CB-CD 4.19Å; D310-K313 HydrophobicContact CB-CG 4.37Å; D310-K313 PolarHBondContact O-N 3.48Å; D310-K313 WeakPolarHBondContact OD2-CD 3.36Å; D310-K313 WeakPolarHBondContact OD2-CG 3.45Å; K313-P315 VanDerWaalsContact C-CD 3.47Å; K313-P315 WeakPolarHBondContact O-CD 3.33Å
314T95.1Very high95.9Very high23 Ų2342.4 Ų42.414%0.14123%0.228CC..  trans-121.774.9-178.3-50.40000110.1N236 D307 M308 D310 A316N236-T314 WeakPolarHBondContact ND2-CG2 3.45Å; N236-T314 PolarHBondContact ND2-O 3.49Å; D307-T314 VanDerWaalsContact O-CB 3.3Å; D307-T314 WeakPolarHBondContact O-CB 3.35Å; D307-T314 PolarHBondContact O-OG1 2.92Å; M308-T314 HydrophobicContact SD-CG2 3.89Å; D310-T314 PolarHBondContact O-N 2.88Å; T314-A316 VanDerWaalsContact CG2-O 3.32Å; T314-A316 WeakPolarHBondContact CG2-O 3.35Å; T314-A316 PolarHBondContact O-N 2.99Å
315P92.6Very high95.8Very high77 Ų7744 Ų4450%0.524%0.237SC..SBendtrans-67.8-20.8-17727.3-36000113.3L311 K313L311-P315 VanDerWaalsContact O-CA 3.23Å; L311-P315 WeakPolarHBondContact O-CA 3.32Å; K313-P315 VanDerWaalsContact C-CD 3.47Å; K313-P315 WeakPolarHBondContact O-CD 3.33Å
316A92.5Very high95.7Very high6 Ų648.8 Ų48.85%0.0526%0.258CS..SBendtrans-139.9147.8176.900000111.1T314 P318 V421 E422 T424T314-A316 VanDerWaalsContact CG2-O 3.32Å; T314-A316 WeakPolarHBondContact CG2-O 3.35Å; T314-A316 PolarHBondContact O-N 2.99Å; A316-P318 WeakPolarHBondContact O-CD 3.37Å; A316-V421 HydrophobicContact CB-CB 4Å; A316-V421 HydrophobicContact CB-CG2 4.25Å; A316-E422 VanDerWaalsContact CB-O 3.28Å; A316-E422 WeakPolarHBondContact CB-O 3.22Å; A316-T424 HydrophobicContact CB-CG2 3.99Å
317K94.4Very high95.7Very high7 Ų746.6 Ų46.63%0.0325%0.246CC..PPolyproline II helixtrans-63.5123.4-176.7-176.1178.6167.8-145.40111N236 C238 F287 Y320 V421 E422N236-K317 VanDerWaalsContact OD1-CA 3.23Å; N236-K317 WeakPolarHBondContact OD1-CA 3.21Å; N236-K317 PolarHBondContact OD1-N 2.86Å; C238-K317 WeakPolarHBondContact O-CD 3.43Å; C238-K317 WeakPolarHBondContact O-CE 3.35Å; C238-K317 PolarHBondContact O-NZ 2.87Å; F287-K317 VanDerWaalsContact CE1-NZ 3.25Å; K317-Y320 HydrophobicContact CD-CE1 4.3Å; K317-Y320 HydrophobicContact CG-CE1 3.95Å; K317-V421 WeakPolarHBondContact O-CA 3.31Å; K317-E422 IonicContact NZ-OE1 3.94Å; K317-E422 PolarHBondContact O-N 3.35Å
318P95.7Very high95.7Very high3 Ų344.3 Ų44.32%0.01923%0.234CC..BIsolated β-bridgetrans-65.6153.8170.227.3-33.2000110.8M308 A316 Y320 L416 R419M308-P318 HydrophobicContact CE-CG 3.87Å; M308-P318 HydrophobicContact SD-CG 3.57Å; M308-P318 VanDerWaalsContact SD-CG 3.57Å; A316-P318 WeakPolarHBondContact O-CD 3.37Å; P318-Y320 HydrophobicContact CG-CD1 4.29Å; P318-Y320 HydrophobicContact CG-CE1 4.4Å; P318-Y320 WeakPolarHBondContact O-CD1 3.37Å; P318-Y320 WeakPolarHBondContact O-CE1 3.35Å; P318-Y320 PolarHBondContact O-N 2.78Å; P318-L416 HydrophobicContact CB-CB 4.45Å; P318-L416 HydrophobicContact CB-CD2 4.41Å; P318-L416 WeakPolarHBondContact CB-O 3.16Å; P318-L416 HydrophobicContact CG-CB 4.11Å; P318-L416 HydrophobicContact CG-CD2 4.17Å; P318-R419 HydrophobicContact CB-CB 4.27Å
319Q93.8Very high95.7Very high102 Ų10245.7 Ų45.748%0.47724%0.241SC..PPolyproline II helixtrans-72.7119.2175.3-74.2-179.4-1.700111.4R419 H420 E422Q319-R419 WeakPolarHBondContact O-CD 3.42Å; Q319-R419 PolarHBondContact O-NH1 2.88Å; Q319-H420 WeakPolarHBondContact CG-O 3.32Å; Q319-H420 PolarHBondContact N-O 3.35Å; Q319-H420 PolarHBondContact NE2-ND1 3.49Å; Q319-E422 HydrophobicContact CG-CG 4.49Å
320Y95.3Very high95.8Very high16 Ų1644.6 Ų44.66%0.06324%0.236CC..  trans-151.2154.516963.1-79.9000110.3N236 F237 F287 I291 M294 M308 K317 P318 E397 L416N236-Y320 PolarHBondContact O-OH 3.2Å; F237-Y320 WeakPolarHBondContact CA-OH 3.43Å; F287-Y320 HydrophobicContact CB-CE2 3.86Å; F287-Y320 AromaticContact CD1-CD2 3.8Å; F287-Y320 HydrophobicContact CD1-CD2 3.8Å; F287-Y320 AromaticContact CD1-CE2 3.22Å; F287-Y320 HydrophobicContact CD1-CE2 3.22Å; F287-Y320 AromaticContact CD1-CZ 3.65Å; F287-Y320 HydrophobicContact CE1-CD2 4.33Å; F287-Y320 HydrophobicContact CE1-CE2 4.07Å; F287-Y320 AromaticContact CG-CE2 3.93Å; F287-Y320 HydrophobicContact CG-CE2 3.93Å; I291-Y320 HydrophobicContact CD1-CE2 4.03Å; I291-Y320 HydrophobicContact CG1-CE2 3.98Å; M294-Y320 HydrophobicContact CE-CD2 4.45Å; M308-Y320 HydrophobicContact CE-CE1 3.8Å; K317-Y320 HydrophobicContact CD-CE1 4.3Å; K317-Y320 HydrophobicContact CG-CE1 3.95Å; P318-Y320 HydrophobicContact CG-CD1 4.29Å; P318-Y320 HydrophobicContact CG-CE1 4.4Å; P318-Y320 WeakPolarHBondContact O-CD1 3.37Å; P318-Y320 WeakPolarHBondContact O-CE1 3.35Å; P318-Y320 PolarHBondContact O-N 2.78Å; Y320-E397 VanDerWaalsContact CA-OE1 3.24Å; Y320-E397 WeakPolarHBondContact CA-OE1 3.3Å; Y320-L416 HydrophobicContact CD1-CD2 3.92Å; Y320-L416 HydrophobicContact CG-CD2 4.04Å
321Q94.3Very high95.8Very high110 Ų11043.1 Ų43.151%0.51423%0.227SC..PPolyproline II helixtrans-85.4152-173.7-62.8176.456.800111.4S290 P396 E397S290-Q321 WeakPolarHBondContact CB-O 3.39Å; S290-Q321 PolarHBondContact OG-O 3.26Å; Q321-P396 HydrophobicContact CB-CB 4.18Å; Q321-P396 HydrophobicContact CB-CG 4.4Å; Q321-E397 HydrophobicContact CB-CG 4.11Å; Q321-E397 PolarHBondContact N-OE1 3.15Å
322L95Very high96Very high48 Ų4841.8 Ų41.825%0.25123%0.225SC..PPolyproline II helixtrans-75.7144.5175.9-73.786.2000111.3H283 R286 F287H283-L322 HydrophobicContact CB-CD2 3.62Å; H283-L322 VanDerWaalsContact CG-CD2 3.49Å; H283-L322 WeakPolarHBondContact ND1-CD2 3.4Å; R286-L322 HydrophobicContact CB-CB 4.47Å; R286-L322 HydrophobicContact CB-CD2 4.2Å; F287-L322 HydrophobicContact CD1-CD1 4.23Å; F287-L322 HydrophobicContact CD1-CG 3.91Å; F287-L322 HydrophobicContact CD2-CD2 4.43Å; F287-L322 HydrophobicContact CD2-CG 4.26Å; F287-L322 HydrophobicContact CE1-CD1 3.36Å; F287-L322 HydrophobicContact CE1-CG 3.54Å; F287-L322 HydrophobicContact CE2-CD1 3.88Å; F287-L322 HydrophobicContact CE2-CD2 4.03Å; F287-L322 HydrophobicContact CE2-CG 3.86Å; F287-L322 HydrophobicContact CG-CG 4.3Å; F287-L322 HydrophobicContact CZ-CD1 3.14Å; F287-L322 HydrophobicContact CZ-CD2 4.13Å; F287-L322 HydrophobicContact CZ-CG 3.51Å
323A97.5Very high96.1Very high0 Ų037.6 Ų37.60%020%0.198CC..PPolyproline II helixtrans-63.7158.2162.400000110.5Y209 R286 M289 S290 F293 I394Y209-A323 HydrophobicContact CE2-CB 4.35Å; Y209-A323 WeakPolarHBondContact OH-CB 3.42Å; R286-A323 PolarHBondContact NE-O 2.86Å; R286-A323 PolarHBondContact NH2-O 2.78Å; R286-A323 WeakPolarHBondContact O-CB 3.47Å; R286-A323 PolarHBondContact O-N 2.86Å; M289-A323 HydrophobicContact CB-CB 3.96Å; S290-A323 PolarHBondContact OG-N 3.33Å; F293-A323 HydrophobicContact CD2-CB 4.46Å; F293-A323 HydrophobicContact CE2-CB 4.16Å; A323-I394 CarbonylContact C-O 3.54Å; A323-I394 VanDerWaalsContact CA-O 3.24Å; A323-I394 WeakPolarHBondContact CA-O 3.49Å
324A97.6Very high96.2Very high15 Ų1534.6 Ų34.612%0.12419%0.19CC..PPolyproline II helixtrans-57.9157.5-179.800000112.9Y209 F326 P327 I394Y209-A324 WeakPolarHBondContact CE2-O 3.42Å; Y209-A324 PolarHBondContact OH-N 2.86Å; Y209-A324 PolarHBondContact OH-O 2.89Å; A324-F326 HydrophobicContact CB-CD1 3.81Å; A324-F326 HydrophobicContact CB-CE1 3.7Å; A324-P327 HydrophobicContact CB-CG 4.25Å; A324-I394 PolarHBondContact N-O 2.84Å
325D96.8Very high96.3Very high42 Ų4234.6 Ų34.623%0.22519%0.187CC..SBendtrans-88.4-40.5-178.643.537.3000113.4R128 V130 P327 L328R128-D325 WeakPolarHBondContact O-CB 3.23Å; R128-D325 VanDerWaalsContact O-CG 3.32Å; V130-D325 HydrophobicContact CG2-CB 4.13Å; D325-P327 VanDerWaalsContact C-N 3.3Å; D325-P327 VanDerWaalsContact O-N 3.17Å; D325-L328 WeakPolarHBondContact O-CB 3.28Å; D325-L328 PolarHBondContact O-N 2.83Å
326F96.4Very high96.4Very high101 Ų10133.6 Ų33.644%0.44318%0.181SC..THydrogen-bonded Turntrans-56.4-27.1-175.180.1-92.3000116.2W83 A324 L328 I394W83-F326 PolarHBondContact NE1-O 2.82Å; W83-F326 VanDerWaalsContact NE1-O 3.08Å; A324-F326 HydrophobicContact CB-CD1 3.81Å; A324-F326 HydrophobicContact CB-CE1 3.7Å; F326-L328 VanDerWaalsContact C-N 3.34Å; F326-I394 HydrophobicContact CE1-CG1 4.3Å; F326-I394 HydrophobicContact CZ-CD1 4.37Å; F326-I394 HydrophobicContact CZ-CG1 3.89Å
327P97.7Very high96.3Very high10 Ų1042.6 Ų42.67%0.06522%0.222CC..THydrogen-bonded Turntrans-84.9-6.8176.9-5.424.5000113.9Y209 Y210 A324 D325 I394Y209-P327 WeakPolarHBondContact CA-O 3.39Å; Y209-P327 HydrophobicContact CD1-CB 4.11Å; Y209-P327 HydrophobicContact CE1-CB 3.71Å; Y209-P327 HydrophobicContact CE1-CG 3.95Å; Y209-P327 HydrophobicContact CE2-CB 4.29Å; Y209-P327 HydrophobicContact CE2-CG 4.4Å; Y210-P327 PolarHBondContact N-O 2.92Å; Y210-P327 WeakPolarHBondContact O-CB 3.49Å; A324-P327 HydrophobicContact CB-CG 4.25Å; D325-P327 VanDerWaalsContact C-N 3.3Å; D325-P327 VanDerWaalsContact O-N 3.17Å; P327-I394 HydrophobicContact CG-CG1 4.49Å; P327-I394 HydrophobicContact CG-CG2 4.28Å
328L98.5Very high96.2Very high7 Ų747.8 Ų47.84%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-84.5129.8177.7-176.262.1000110.6V130 S131 Y207 Y209 I285 R286 D325 F326V130-L328 HydrophobicContact CG1-CB 4.13Å; V130-L328 HydrophobicContact CG1-CD2 3.96Å; V130-L328 HydrophobicContact CG1-CG 3.82Å; V130-L328 HydrophobicContact CG2-CB 4.24Å; V130-L328 HydrophobicContact CG2-CD2 3.9Å; V130-L328 HydrophobicContact CG2-CG 4.37Å; S131-L328 PolarHBondContact N-O 3.4Å; S131-L328 VanDerWaalsContact N-O 3.09Å; Y207-L328 HydrophobicContact CD1-CD1 3.63Å; Y207-L328 HydrophobicContact CD1-CD2 4.26Å; Y207-L328 HydrophobicContact CD1-CG 3.89Å; Y207-L328 HydrophobicContact CE1-CD1 4.49Å; Y207-L328 HydrophobicContact CE1-CD2 4.36Å; Y207-L328 HydrophobicContact CE1-CG 4.36Å; Y207-L328 HydrophobicContact CG-CD1 4.2Å; Y209-L328 HydrophobicContact CD2-CB 3.91Å; Y209-L328 HydrophobicContact CD2-CD1 4.05Å; Y209-L328 HydrophobicContact CE2-CB 4.22Å; I285-L328 HydrophobicContact CB-CD1 4.31Å; I285-L328 HydrophobicContact CB-CD2 4.44Å; I285-L328 HydrophobicContact CD1-CD1 4.33Å; I285-L328 HydrophobicContact CG2-CD1 3.61Å; I285-L328 HydrophobicContact CG2-CD2 4.48Å; R286-L328 HydrophobicContact CG-CD2 4.08Å; D325-L328 WeakPolarHBondContact O-CB 3.28Å; D325-L328 PolarHBondContact O-N 2.83Å; F326-L328 VanDerWaalsContact C-N 3.34Å
329L98.4Very high96.1Very high32 Ų3249 Ų4917%0.16827%0.268CS..EExtended strand (participates in β ladder)trans-125.2119.9178.3177.961.4000110S131 M133 Y207 E208 Y210 I331S131-L329 WeakPolarHBondContact O-CA 3.44Å; M133-L329 HydrophobicContact CB-CD1 4.21Å; Y207-L329 CarbonylContact C-O 3.57Å; Y207-L329 VanDerWaalsContact CA-O 3.26Å; Y207-L329 WeakPolarHBondContact CA-O 3.5Å; E208-L329 PolarHBondContact N-O 2.68Å; E208-L329 PolarHBondContact O-N 3.03Å; Y210-L329 HydrophobicContact CE2-CB 4.31Å; Y210-L329 HydrophobicContact CE2-CD2 4.08Å; L329-I331 HydrophobicContact CD2-CD1 3.59Å; L329-I331 HydrophobicContact CG-CD1 3.86Å; L329-I331 PolarHBondContact O-N 3.16Å
330F98.6Very high96.2Very high0 Ų045.5 Ų45.50%025%0.252CS..EExtended strand (participates in β ladder)trans-70.1116.2163.8177.5-94000109.2T126 S131 G132 M133 Q135 R205 Y207T126-F330 HydrophobicContact CG2-CB 3.86Å; T126-F330 HydrophobicContact CG2-CG 4.46Å; S131-F330 PolarHBondContact O-N 2.88Å; G132-F330 CarbonylContact C-O 3.59Å; G132-F330 WeakPolarHBondContact CA-O 3.4Å; M133-F330 PolarHBondContact N-O 2.8Å; Q135-F330 HydrophobicContact CB-CD1 4.17Å; Q135-F330 HydrophobicContact CB-CE1 4.32Å; R205-F330 HydrophobicContact CB-CE2 4.11Å; R205-F330 HydrophobicContact CG-CE2 3.99Å; Y207-F330 HydrophobicContact CD1-CB 4.03Å; Y207-F330 HydrophobicContact CD1-CD2 4.39Å; Y207-F330 HydrophobicContact CD2-CD2 4.19Å; Y207-F330 HydrophobicContact CE1-CB 3.68Å; Y207-F330 AromaticContact CE1-CD2 3.86Å; Y207-F330 HydrophobicContact CE1-CD2 3.86Å; Y207-F330 HydrophobicContact CE1-CG 4.29Å; Y207-F330 AromaticContact CE2-CD2 3.64Å; Y207-F330 HydrophobicContact CE2-CD2 3.64Å; Y207-F330 HydrophobicContact CE2-CE2 4.19Å; Y207-F330 AromaticContact CZ-CD2 3.47Å; Y207-F330 VanDerWaalsContact CZ-CD2 3.47Å
331I98.2Very high96.2Very high25 Ų2549.8 Ų49.813%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-80.6-64.9-177.1-65.8-65000110.1M133 C134 S206 E208 L329M133-I331 HydrophobicContact CE-CB 4.49Å; M133-I331 HydrophobicContact CE-CD1 4.16Å; M133-I331 HydrophobicContact CE-CG2 3.72Å; C134-I331 WeakPolarHBondContact CA-O 3.18Å; C134-I331 WeakPolarHBondContact CB-O 3.15Å; C134-I331 PolarHBondContact N-O 2.94Å; S206-I331 WeakPolarHBondContact O-CB 3.08Å; S206-I331 PolarHBondContact O-N 3.05Å; E208-I331 HydrophobicContact CB-CD1 4.03Å; E208-I331 HydrophobicContact CB-CG1 4.03Å; E208-I331 VanDerWaalsContact CD-CD1 3.48Å; E208-I331 HydrophobicContact CG-CD1 3.83Å; E208-I331 HydrophobicContact CG-CG1 3.69Å; E208-I331 WeakPolarHBondContact OE2-CD1 3.41Å; L329-I331 HydrophobicContact CD2-CD1 3.59Å; L329-I331 HydrophobicContact CG-CD1 3.86Å; L329-I331 PolarHBondContact O-N 3.16Å
332A97.3Very high96.3Very high28 Ų2848.2 Ų48.223%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-162.3156-176.200000112.1C134 S206C134-A332 HydrophobicContact CB-CB 4Å; S206-A332 PolarHBondContact N-O 2.9Å
333G97.1Very high96.5Very high14 Ų1449.4 Ų49.414%0.14427%0.269CS..EExtended strand (participates in β ladder)trans-98.5139.3159.800000110.5K204K204-G333 CarbonylContact O-C 3.59Å; K204-G333 VanDerWaalsContact O-CA 3.29Å; K204-G333 WeakPolarHBondContact O-CA 3.29Å
334T97.3Very high96.5Very high61 Ų6151 Ų5137%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-98.7134.6173.5-51.20000109.9C202 C203 K204C202-T334 CarbonylContact C-O 3.6Å; C202-T334 WeakPolarHBondContact CA-O 3.09Å; C203-T334 PolarHBondContact N-O 3.29Å; K204-T334 VanDerWaalsContact CE-OG1 3.28Å; K204-T334 WeakPolarHBondContact CE-OG1 3.37Å; K204-T334 PolarHBondContact O-N 3.36Å
335Y97.3Very high96.5Very high23 Ų2352.3 Ų52.39%0.0929%0.287CS..  trans-127.3160-179.1-63.2-95.8000109.3C123 V136 F196 A198 M201 C202 L340C123-Y335 WeakPolarHBondContact CB-OH 3.41Å; C123-Y335 PolarHBondContact SG-OH 2.94Å; V136-Y335 HydrophobicContact CB-CE2 4.15Å; V136-Y335 WeakPolarHBondContact CB-OH 3.36Å; V136-Y335 HydrophobicContact CG1-CE2 4.33Å; V136-Y335 HydrophobicContact CG2-CE2 3.95Å; F196-Y335 HydrophobicContact CE2-CD1 4.02Å; F196-Y335 HydrophobicContact CE2-CE1 4.22Å; F196-Y335 HydrophobicContact CZ-CD1 4.04Å; F196-Y335 AromaticContact CZ-CE1 3.82Å; F196-Y335 HydrophobicContact CZ-CE1 3.82Å; A198-Y335 VanDerWaalsContact O-CE1 3.29Å; A198-Y335 WeakPolarHBondContact O-CE1 3.29Å; A198-Y335 PolarHBondContact O-OH 2.85Å; M201-Y335 HydrophobicContact CB-CD1 4.12Å; M201-Y335 HydrophobicContact CB-CE1 4.49Å; M201-Y335 WeakPolarHBondContact O-CD1 3.2Å; C202-Y335 HydrophobicContact CB-CD1 4.14Å; C202-Y335 HydrophobicContact CB-CE1 3.58Å; C202-Y335 HydrophobicContact CB-CE2 4.4Å; Y335-L340 HydrophobicContact CD1-CD1 4.23Å; Y335-L340 HydrophobicContact CD2-CD1 3.42Å; Y335-L340 VanDerWaalsContact CD2-CD1 3.42Å; Y335-L340 HydrophobicContact CE2-CD1 3.99Å; Y335-L340 HydrophobicContact CG-CD1 3.55Å
336P95.5Very high96.5Very high56 Ų5656.9 Ų56.936%0.36431%0.308SS..  trans-55.3139.5168.7-22.433.4000111.2M201 S338 C339M201-P336 WeakPolarHBondContact O-CD 3.39Å; P336-S338 PolarHBondContact O-N 3.12Å; P336-S338 VanDerWaalsContact O-N 3.13Å; P336-C339 WeakPolarHBondContact O-CB 3.12Å; P336-C339 PolarHBondContact O-N 2.78Å
337E89.9Confident96.5Very high194 Ų19454.9 Ų54.991%0.90731%0.309SS*.G310 helixtrans-57.4-31.8-173.8-66.8-177171.200113.2C339E337-C339 PolarHBondContact O-N 3.13Å
338S91.7Very high96.5Very high117 Ų11754.5 Ų54.582%0.81831%0.307SS*.G310 helixtrans-71-13.4179.858.50000114.6P336P336-S338 PolarHBondContact O-N 3.12Å; P336-S338 VanDerWaalsContact O-N 3.13Å
339C93.2Very high96.5Very high29 Ų2960.3 Ų60.320%0.19633%0.329CS..G310 helixtrans-89.2-23.8-171.1-65.90000114.2F196 P336 E337F196-C339 HydrophobicContact CD2-CB 4.14Å; F196-C339 HydrophobicContact CE2-CB 3.95Å; P336-C339 WeakPolarHBondContact O-CB 3.12Å; P336-C339 PolarHBondContact O-N 2.78Å; E337-C339 PolarHBondContact O-N 3.13Å
340L96.1Very high96.5Very high27 Ų2763.2 Ų63.214%0.14134%0.344CS..  trans-139.4116.1-169.4-69169.7000111.6A75 V192 F196 Y335 W342A75-L340 HydrophobicContact CB-CD2 3.63Å; V192-L340 HydrophobicContact CG1-CD2 3.79Å; F196-L340 HydrophobicContact CE1-CD2 4.4Å; F196-L340 HydrophobicContact CE2-CD2 4.1Å; F196-L340 HydrophobicContact CE2-CG 4.18Å; F196-L340 HydrophobicContact CZ-CD1 4.33Å; F196-L340 HydrophobicContact CZ-CD2 3.8Å; F196-L340 HydrophobicContact CZ-CG 4.2Å; Y335-L340 HydrophobicContact CD1-CD1 4.23Å; Y335-L340 HydrophobicContact CD2-CD1 3.42Å; Y335-L340 VanDerWaalsContact CD2-CD1 3.42Å; Y335-L340 HydrophobicContact CE2-CD1 3.99Å; Y335-L340 HydrophobicContact CG-CD1 3.55Å; L340-W342 HydrophobicContact CB-CZ2 4.45Å; L340-W342 HydrophobicContact CD1-CH2 4.41Å; L340-W342 HydrophobicContact CD1-CZ2 3.7Å; L340-W342 HydrophobicContact CD2-CH2 4.12Å; L340-W342 HydrophobicContact CD2-CZ2 4.1Å; L340-W342 HydrophobicContact CG-CZ2 4.32Å
341N95.7Very high96.4Very high107 Ų10767.4 Ų67.457%0.57237%0.366SS*.  trans-111.4101.3168.5-176.229.9000109.9S190S190-N341 WeakPolarHBondContact CA-O 3.4Å; S190-N341 WeakPolarHBondContact CB-O 3.44Å; S190-N341 PolarHBondContact OG-N 3.44Å; S190-N341 PolarHBondContact OG-O 3.45Å
342W97.4Very high96.5Very high76 Ų7667.1 Ų67.129%0.28837%0.365SS..  trans-79.3126.1-172.2-66.2111.4000112.7A75 K77 V136 A188 W189 L340A75-W342 HydrophobicContact CB-CH2 4.22Å; A75-W342 HydrophobicContact CB-CZ3 4.31Å; K77-W342 HydrophobicContact CB-CD2 4.49Å; K77-W342 HydrophobicContact CB-CE3 3.99Å; K77-W342 HydrophobicContact CB-CH2 3.73Å; K77-W342 HydrophobicContact CB-CZ2 4.21Å; K77-W342 HydrophobicContact CB-CZ3 3.61Å; K77-W342 VanDerWaalsContact CE-CD2 3.43Å; K77-W342 VanDerWaalsContact NZ-CG 3.31Å; V136-W342 HydrophobicContact CG1-CH2 4.06Å; V136-W342 HydrophobicContact CG2-CH2 3.89Å; V136-W342 HydrophobicContact CG2-CZ2 3.86Å; A188-W342 HydrophobicContact CB-CB 4.09Å; A188-W342 HydrophobicContact CB-CD2 4.32Å; A188-W342 HydrophobicContact CB-CE3 3.82Å; A188-W342 HydrophobicContact CB-CG 4.47Å; W189-W342 CarbonylContact O-C 3.58Å; W189-W342 WeakPolarHBondContact O-CA 3.23Å; L340-W342 HydrophobicContact CB-CZ2 4.45Å; L340-W342 HydrophobicContact CD1-CH2 4.41Å; L340-W342 HydrophobicContact CD1-CZ2 3.7Å; L340-W342 HydrophobicContact CD2-CH2 4.12Å; L340-W342 HydrophobicContact CD2-CZ2 4.1Å; L340-W342 HydrophobicContact CG-CZ2 4.32Å
343E97.1Very high96.5Very high73 Ų7369.5 Ų69.534%0.34138%0.376SS..BIsolated β-bridgetrans-118135.4179.4-65.1179.3-148.500111.2A188 W189A188-E343 WeakPolarHBondContact CA-O 3.42Å; W189-E343 HydrophobicContact CZ2-CB 4.39Å; W189-E343 WeakPolarHBondContact CZ2-OE2 3.17Å; W189-E343 PolarHBondContact N-O 2.83Å; W189-E343 PolarHBondContact O-N 2.95Å
344T97.9Very high96.5Very high35 Ų3574 Ų7422%0.21539%0.392CS..  trans-149.1126.8173.1-51.60000108.3V173 L187 A188 A348 R349 L352V173-T344 HydrophobicContact CG1-CG2 4.33Å; V173-T344 HydrophobicContact CG2-CG2 4.39Å; L187-T344 WeakPolarHBondContact O-CG2 3.42Å; L187-T344 PolarHBondContact O-OG1 3.5Å; A188-T344 WeakPolarHBondContact CA-OG1 3.41Å; A188-T344 VanDerWaalsContact CB-OG1 3.25Å; A188-T344 WeakPolarHBondContact CB-OG1 3.42Å; T344-A348 HydrophobicContact CG2-CB 3.83Å; T344-R349 HydrophobicContact CG2-CB 4.29Å; T344-R349 PolarHBondContact O-NH2 2.97Å; T344-L352 HydrophobicContact CG2-CD1 4.48Å
345S97.3Very high96.6Very high41 Ų4172.5 Ų72.529%0.28738%0.381SS..  trans-63.1155.6175.375.80000111.4D171 A347 A348 R349D171-S345 VanDerWaalsContact OD2-CB 3.3Å; D171-S345 WeakPolarHBondContact OD2-CB 3.29Å; D171-S345 PolarHBondContact OD2-OG 3.47Å; S345-A347 VanDerWaalsContact C-N 3.32Å; S345-A347 PolarHBondContact O-N 3.12Å; S345-A348 PolarHBondContact O-N 3.34Å; S345-A348 WeakPolarHBondContact OG-CB 3.45Å; S345-A348 PolarHBondContact OG-N 3.22Å; S345-A348 VanDerWaalsContact OG-N 3.09Å; S345-R349 PolarHBondContact O-N 3.13Å
346E97.5Very high96.6Very high139 Ų13975.2 Ų75.265%0.6539%0.391SS*.Hα-helixtrans-62-40.9177.7-175.3167.1-176.600112.4A348 R349 L350E346-A348 PolarHBondContact O-N 3.42Å; E346-R349 PolarHBondContact O-N 3.03Å; E346-L350 HydrophobicContact CG-CD1 4.35Å; E346-L350 WeakPolarHBondContact O-CG 3.19Å; E346-L350 PolarHBondContact O-N 2.99Å
347A97.3Very high96.7Very high58 Ų5878.3 Ų78.348%0.47940%0.401SS..Hα-helixtrans-58.9-47.8174.600000111.9S345 R349 L350 D351S345-A347 VanDerWaalsContact C-N 3.32Å; S345-A347 PolarHBondContact O-N 3.12Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 2.89Å; A347-L350 PolarHBondContact O-N 2.61Å; A347-D351 PolarHBondContact O-N 2.77Å
348A97.7Very high97.1Very high3 Ų376.4 Ų76.43%0.02539%0.39CS..Hα-helixtrans-62.1-39.8177.800000112.1V173 T344 S345 E346 D351 L352V173-A348 HydrophobicContact CB-CB 3.97Å; V173-A348 HydrophobicContact CG1-CB 3.75Å; T344-A348 HydrophobicContact CG2-CB 3.83Å; S345-A348 PolarHBondContact O-N 3.34Å; S345-A348 WeakPolarHBondContact OG-CB 3.45Å; S345-A348 PolarHBondContact OG-N 3.22Å; S345-A348 VanDerWaalsContact OG-N 3.09Å; E346-A348 PolarHBondContact O-N 3.42Å; A348-D351 PolarHBondContact O-N 3.33Å; A348-L352 VanDerWaalsContact O-CG 3.28Å; A348-L352 WeakPolarHBondContact O-CG 3.34Å; A348-L352 PolarHBondContact O-N 2.9Å
349R97.9Very high97.4Very high128 Ų12871.5 Ų71.548%0.48335%0.354SS..Hα-helixtrans-62.8-46.1177.3-166.9-175.1-52.8108.27.3111.7T344 S345 E346 A347 D351 L352 V353T344-R349 HydrophobicContact CG2-CB 4.29Å; T344-R349 PolarHBondContact O-NH2 2.97Å; S345-R349 PolarHBondContact O-N 3.13Å; E346-R349 PolarHBondContact O-N 3.03Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 2.89Å; R349-D351 VanDerWaalsContact C-N 3.33Å; R349-D351 PolarHBondContact O-N 2.69Å; R349-L352 PolarHBondContact O-N 3.29Å; R349-V353 WeakPolarHBondContact O-CG2 3.41Å; R349-V353 PolarHBondContact O-N 2.79Å; R349-V353 VanDerWaalsContact O-N 3.1Å
350L98.1Very high97.5Very high93 Ų9379.3 Ų79.349%0.48738%0.38SS..Hα-helixtrans-62.1-40.8176.8-71.5172000111.7E346 A347 V353 K354E346-L350 HydrophobicContact CG-CD1 4.35Å; E346-L350 WeakPolarHBondContact O-CG 3.19Å; E346-L350 PolarHBondContact O-N 2.99Å; A347-L350 PolarHBondContact O-N 2.61Å; L350-V353 PolarHBondContact O-N 3.14Å; L350-K354 WeakPolarHBondContact O-CG 3.49Å; L350-K354 PolarHBondContact O-N 3.18Å
351D97.9Very high97.6Very high89 Ų8981.3 Ų81.348%0.47640%0.396SS..Hα-helixtrans-68.5-35.6178.1-77.2-12000112.8A347 A348 R349 K354 H355A347-D351 PolarHBondContact O-N 2.77Å; A348-D351 PolarHBondContact O-N 3.33Å; R349-D351 VanDerWaalsContact C-N 3.33Å; R349-D351 PolarHBondContact O-N 2.69Å; D351-K354 PolarHBondContact O-N 3.38Å; D351-K354 IonicContact OD1-NZ 2.78Å; D351-K354 PolarHBondContact OD1-NZ 3.38Å; D351-H355 WeakPolarHBondContact O-CB 3.2Å; D351-H355 PolarHBondContact O-N 3.15Å
352L98.2Very high97.7Very high19 Ų1978.5 Ų78.510%0.09938%0.379CS..Hα-helixtrans-62.3-44.4172-74.5166.6000111.9V173 R185 L187 T344 A348 R349 H355 Y356V173-L352 HydrophobicContact CG1-CD1 4.38Å; R185-L352 HydrophobicContact CB-CD2 3.93Å; R185-L352 HydrophobicContact CG-CD2 4.18Å; L187-L352 HydrophobicContact CD2-CD1 4.32Å; L187-L352 HydrophobicContact CD2-CD2 3.95Å; T344-L352 HydrophobicContact CG2-CD1 4.48Å; A348-L352 VanDerWaalsContact O-CG 3.28Å; A348-L352 WeakPolarHBondContact O-CG 3.34Å; A348-L352 PolarHBondContact O-N 2.9Å; R349-L352 PolarHBondContact O-N 3.29Å; L352-H355 WeakPolarHBondContact O-CB 3.4Å; L352-H355 PolarHBondContact O-N 2.85Å; L352-Y356 HydrophobicContact CD2-CE2 4.37Å; L352-Y356 VanDerWaalsContact O-CD2 3.27Å; L352-Y356 WeakPolarHBondContact O-CD2 3.37Å; L352-Y356 PolarHBondContact O-N 3.28Å
353V98.2Very high97.6Very high77 Ų7778.2 Ų78.247%0.46738%0.378SS..Hα-helixtrans-60.5-51.6175.91730000110.5R349 L350 H355 Y356 Q357R349-V353 WeakPolarHBondContact O-CG2 3.41Å; R349-V353 PolarHBondContact O-N 2.79Å; R349-V353 VanDerWaalsContact O-N 3.1Å; L350-V353 PolarHBondContact O-N 3.14Å; V353-H355 PolarHBondContact O-N 3.48Å; V353-Y356 PolarHBondContact O-N 3.2Å; V353-Q357 HydrophobicContact CG1-CG 4.3Å; V353-Q357 WeakPolarHBondContact O-CB 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.24Å; V353-Q357 PolarHBondContact O-N 2.83Å
354K98.2Very high97.5Very high108 Ų10876.3 Ų76.347%0.4738%0.378SS..Hα-helixtrans-56.1-40.4176.8-70.5170.7-169.3163.70111.6L350 D351 K358L350-K354 WeakPolarHBondContact O-CG 3.49Å; L350-K354 PolarHBondContact O-N 3.18Å; D351-K354 PolarHBondContact O-N 3.38Å; D351-K354 IonicContact OD1-NZ 2.78Å; D351-K354 PolarHBondContact OD1-NZ 3.38Å; K354-K358 VanDerWaalsContact O-CG 3.3Å; K354-K358 WeakPolarHBondContact O-CG 3.33Å; K354-K358 PolarHBondContact O-N 3.09Å; K354-K358 VanDerWaalsContact O-N 3.14Å
355H98.2Very high97.5Very high31 Ų3179.7 Ų79.714%0.14439%0.394CS..Hα-helixtrans-63.3-52179.9172.265.8000112R182 R185 D351 L352 V353 K358 L359R182-H355 PolarHBondContact O-CE1 3.46Å; R182-H355 PolarHBondContact O-NE2 3.47Å; R185-H355 PolarHBondContact NE-CD2 3.32Å; R185-H355 PolarHBondContact NE-CE1 3.34Å; R185-H355 VanDerWaalsContact NE-CE1 3.28Å; R185-H355 PolarHBondContact NE-ND1 3.05Å; R185-H355 PolarHBondContact NE-NE2 3.27Å; R185-H355 PolarHBondContact NH2-CE1 2.98Å; R185-H355 VanDerWaalsContact NH2-CE1 3.29Å; R185-H355 PolarHBondContact NH2-ND1 3.28Å; D351-H355 WeakPolarHBondContact O-CB 3.2Å; D351-H355 PolarHBondContact O-N 3.15Å; L352-H355 WeakPolarHBondContact O-CB 3.4Å; L352-H355 PolarHBondContact O-N 2.85Å; V353-H355 PolarHBondContact O-N 3.48Å; H355-K358 PolarHBondContact O-N 2.72Å; H355-L359 PolarHBondContact O-N 3.13Å
356Y97.9Very high97.6Very high79 Ų7983.7 Ų83.731%0.3140%0.403SS..Hα-helixtrans-70.4-32.7-179.4-76.2-66.8000113.1S79 L187 L352 V353 L359 W360S79-Y356 WeakPolarHBondContact CB-OH 3.42Å; S79-Y356 PolarHBondContact OG-OH 2.92Å; L187-Y356 HydrophobicContact CD2-CE2 4.14Å; L352-Y356 HydrophobicContact CD2-CE2 4.37Å; L352-Y356 VanDerWaalsContact O-CD2 3.27Å; L352-Y356 WeakPolarHBondContact O-CD2 3.37Å; L352-Y356 PolarHBondContact O-N 3.28Å; V353-Y356 PolarHBondContact O-N 3.2Å; Y356-L359 HydrophobicContact CD1-CD2 4.23Å; Y356-L359 HydrophobicContact CE1-CD2 4.37Å; Y356-L359 PolarHBondContact O-N 3.03Å; Y356-W360 VanDerWaalsContact O-CB 3.23Å; Y356-W360 WeakPolarHBondContact O-CB 3.46Å; Y356-W360 PolarHBondContact O-N 2.92Å
357Q98.2Very high97.4Very high121 Ų12180.7 Ų80.757%0.56540%0.397SS*.Hα-helixtrans-60.4-45.1171.5-75.8177.6-24.600111.7V353 S361V353-Q357 HydrophobicContact CG1-CG 4.3Å; V353-Q357 WeakPolarHBondContact O-CB 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.24Å; V353-Q357 PolarHBondContact O-N 2.83Å; Q357-S361 WeakPolarHBondContact O-CB 3.04Å; Q357-S361 PolarHBondContact O-N 3.15Å; Q357-S361 PolarHBondContact O-OG 3.22Å; Q357-S361 VanDerWaalsContact O-OG 3.06Å
358K98Very high97.2Very high155 Ų15580.8 Ų80.867%0.67440%0.398SS*.Hα-helixtrans-62.1-44.1175.7-73.4174.7-178.4-176.70111.7K354 H355 S361 E362K354-K358 VanDerWaalsContact O-CG 3.3Å; K354-K358 WeakPolarHBondContact O-CG 3.33Å; K354-K358 PolarHBondContact O-N 3.09Å; K354-K358 VanDerWaalsContact O-N 3.14Å; H355-K358 PolarHBondContact O-N 2.72Å; K358-S361 PolarHBondContact O-N 2.82Å; K358-E362 PolarHBondContact O-N 2.81Å; K358-E362 VanDerWaalsContact O-N 3.07Å
359L96.6Very high97.2Very high13 Ų1385 Ų857%0.06842%0.419CS..Hα-helixtrans-65.3-45.8-179.3-166.363.8000111.4L81 H355 Y356 E362 Y363L81-L359 HydrophobicContact CD1-CD2 3.9Å; H355-L359 PolarHBondContact O-N 3.13Å; Y356-L359 HydrophobicContact CD1-CD2 4.23Å; Y356-L359 HydrophobicContact CE1-CD2 4.37Å; Y356-L359 PolarHBondContact O-N 3.03Å; L359-E362 PolarHBondContact O-N 2.79Å; L359-Y363 HydrophobicContact CD1-CD2 4.21Å; L359-Y363 HydrophobicContact CD1-CE2 3.59Å; L359-Y363 HydrophobicContact CG-CD2 4.03Å; L359-Y363 HydrophobicContact CG-CE2 3.76Å; L359-Y363 WeakPolarHBondContact O-CD2 3.45Å; L359-Y363 PolarHBondContact O-N 2.87Å; L359-Y363 VanDerWaalsContact O-N 3.1Å
360W96.7Very high97.1Very high194 Ų19483.4 Ų83.474%0.73542%0.423SS*.Hα-helixtrans-58.6-48.5175.3177.3-104.2000111.6Y356 E362 Y363 G364Y356-W360 VanDerWaalsContact O-CB 3.23Å; Y356-W360 WeakPolarHBondContact O-CB 3.46Å; Y356-W360 PolarHBondContact O-N 2.92Å; W360-E362 VanDerWaalsContact C-N 3.32Å; W360-E362 PolarHBondContact O-N 3.22Å; W360-Y363 PolarHBondContact O-N 2.9Å; W360-G364 PolarHBondContact O-N 3.37Å
361S97.7Very high96.8Very high68 Ų6883.2 Ų83.248%0.47642%0.416SS..Hα-helixtrans-58.8-41.3177.1-66.20000112.4Q357 K358 G364 I365Q357-S361 WeakPolarHBondContact O-CB 3.04Å; Q357-S361 PolarHBondContact O-N 3.15Å; Q357-S361 PolarHBondContact O-OG 3.22Å; Q357-S361 VanDerWaalsContact O-OG 3.06Å; K358-S361 PolarHBondContact O-N 2.82Å; S361-G364 PolarHBondContact O-N 3.09Å; S361-I365 WeakPolarHBondContact O-CB 3.33Å; S361-I365 WeakPolarHBondContact O-CD1 3.17Å; S361-I365 WeakPolarHBondContact O-CG1 3.42Å; S361-I365 PolarHBondContact O-N 3.39Å
362E97.5Very high96.6Very high48 Ų4888.1 Ų88.122%0.22443%0.428CS..Hα-helixtrans-60.6-48.7176.3-176.1-176.7150.100111.8R182 K358 L359 W360 R366R182-E362 IonicContact CZ-OE1 2.88Å; R182-E362 IonicContact CZ-OE2 2.68Å; R182-E362 IonicContact NH1-OE1 3.38Å; R182-E362 PolarHBondContact NH1-OE1 2.87Å; R182-E362 IonicContact NH1-OE2 3.45Å; R182-E362 PolarHBondContact NH1-OE2 2.74Å; R182-E362 IonicContact NH2-OE1 2.69Å; R182-E362 PolarHBondContact NH2-OE1 2.92Å; R182-E362 IonicContact NH2-OE2 3.78Å; R182-E362 PolarHBondContact NH2-OE2 2.9Å; K358-E362 PolarHBondContact O-N 2.81Å; K358-E362 VanDerWaalsContact O-N 3.07Å; L359-E362 PolarHBondContact O-N 2.79Å; W360-E362 VanDerWaalsContact C-N 3.32Å; W360-E362 PolarHBondContact O-N 3.22Å; E362-R366 WeakPolarHBondContact O-CG 3.34Å; E362-R366 PolarHBondContact O-N 2.98Å; E362-R366 VanDerWaalsContact O-N 3.15Å; E362-R366 IonicContact OE1-CZ 3.52Å; E362-R366 IonicContact OE1-NH1 3.36Å; E362-R366 PolarHBondContact OE1-NH1 2.84Å; E362-R366 IonicContact OE1-NH2 3.92Å; E362-R366 PolarHBondContact OE1-NH2 3.09Å
363Y95.6Very high96.5Very high70 Ų7093 Ų9328%0.27545%0.452SS..Hα-helixtrans-69.1-37.3178.6-75.1-66.9000112.7L81 W83 L359 W360 R366 S367L81-Y363 HydrophobicContact CD1-CE2 3.92Å; W83-Y363 HydrophobicContact CH2-CE1 4.35Å; W83-Y363 AromaticContact CZ3-CE1 3.64Å; W83-Y363 HydrophobicContact CZ3-CE1 3.64Å; W83-Y363 HydrophobicContact CZ3-CE2 4.26Å; W83-Y363 AromaticContact CZ3-CZ 3.52Å; W83-Y363 WeakPolarHBondContact CZ3-OH 3.23Å; L359-Y363 HydrophobicContact CD1-CD2 4.21Å; L359-Y363 HydrophobicContact CD1-CE2 3.59Å; L359-Y363 HydrophobicContact CG-CD2 4.03Å; L359-Y363 HydrophobicContact CG-CE2 3.76Å; L359-Y363 WeakPolarHBondContact O-CD2 3.45Å; L359-Y363 PolarHBondContact O-N 2.87Å; L359-Y363 VanDerWaalsContact O-N 3.1Å; W360-Y363 PolarHBondContact O-N 2.9Å; Y363-R366 PolarHBondContact O-N 3.23Å; Y363-S367 WeakPolarHBondContact O-CB 3.22Å; Y363-S367 PolarHBondContact O-N 3.19Å
364G95.4Very high96.2Very high33 Ų3391.8 Ų91.834%0.3444%0.442SS..Hα-helixtrans-60.9-45175.200000112.2W360 S361 S367 A368W360-G364 PolarHBondContact O-N 3.37Å; S361-G364 PolarHBondContact O-N 3.09Å; G364-S367 PolarHBondContact O-N 2.87Å; G364-A368 WeakPolarHBondContact O-CB 3.46Å; G364-A368 PolarHBondContact O-N 3.49Å
365I98Very high95.9Very high107 Ų10790.2 Ų90.255%0.54944%0.439SS..Hα-helixtrans-61.9-46.4175.4-68.9164.9000110.7S361 S367 A368 I369S361-I365 WeakPolarHBondContact O-CB 3.33Å; S361-I365 WeakPolarHBondContact O-CD1 3.17Å; S361-I365 WeakPolarHBondContact O-CG1 3.42Å; S361-I365 PolarHBondContact O-N 3.39Å; I365-S367 PolarHBondContact O-N 3.28Å; I365-A368 PolarHBondContact O-N 2.78Å; I365-I369 HydrophobicContact CG2-CD1 3.9Å; I365-I369 WeakPolarHBondContact O-CG1 3.49Å; I365-I369 PolarHBondContact O-N 2.56Å
366R98Very high95.7Very high125 Ų12596.7 Ų96.747%0.47246%0.464SS..Hα-helixtrans-60.8-45.3177.7-73.3179.4178.1158.79.2112E362 Y363 A368 I369 V370E362-R366 WeakPolarHBondContact O-CG 3.34Å; E362-R366 PolarHBondContact O-N 2.98Å; E362-R366 VanDerWaalsContact O-N 3.15Å; E362-R366 IonicContact OE1-CZ 3.52Å; E362-R366 IonicContact OE1-NH1 3.36Å; E362-R366 PolarHBondContact OE1-NH1 2.84Å; E362-R366 IonicContact OE1-NH2 3.92Å; E362-R366 PolarHBondContact OE1-NH2 3.09Å; Y363-R366 PolarHBondContact O-N 3.23Å; R366-A368 PolarHBondContact O-N 2.89Å; R366-I369 PolarHBondContact O-N 2.75Å; R366-V370 WeakPolarHBondContact O-CG2 3.47Å; R366-V370 PolarHBondContact O-N 3.38Å
367S93.3Very high95.5Very high75 Ų7596.6 Ų96.652%0.52447%0.471SS..Hα-helixtrans-59.2-45.6175.9-177.10000111.4Y363 G364 I365 I369 V370 R371Y363-S367 WeakPolarHBondContact O-CB 3.22Å; Y363-S367 PolarHBondContact O-N 3.19Å; G364-S367 PolarHBondContact O-N 2.87Å; I365-S367 PolarHBondContact O-N 3.28Å; S367-I369 PolarHBondContact O-N 2.89Å; S367-V370 PolarHBondContact O-N 3.15Å; S367-R371 VanDerWaalsContact O-CB 3.31Å; S367-R371 WeakPolarHBondContact O-CB 3.29Å; S367-R371 PolarHBondContact O-N 3.04Å
368A94.6Very high95.1Very high60 Ų6093.6 Ų93.650%0.49646%0.457SS..Hα-helixtrans-62.9-40.2178.100000113.1G364 I365 R366 R371 R372G364-A368 WeakPolarHBondContact O-CB 3.46Å; G364-A368 PolarHBondContact O-N 3.49Å; I365-A368 PolarHBondContact O-N 2.78Å; R366-A368 PolarHBondContact O-N 2.89Å; A368-R371 PolarHBondContact O-N 3.03Å; A368-R372 PolarHBondContact O-N 3.04Å
369I97.9Very high94.8Very high91 Ų9190.6 Ų90.647%0.46746%0.456SS..Hα-helixtrans-63.2-49.4175.4-69.1167.8000110.6I365 R366 S367 R371 R372 M373I365-I369 HydrophobicContact CG2-CD1 3.9Å; I365-I369 WeakPolarHBondContact O-CG1 3.49Å; I365-I369 PolarHBondContact O-N 2.56Å; R366-I369 PolarHBondContact O-N 2.75Å; S367-I369 PolarHBondContact O-N 2.89Å; I369-R371 VanDerWaalsContact C-N 3.31Å; I369-R371 PolarHBondContact O-N 2.82Å; I369-R372 WeakPolarHBondContact O-CB 3.48Å; I369-R372 PolarHBondContact O-N 3.09Å; I369-M373 HydrophobicContact CG2-CE 3.75Å; I369-M373 HydrophobicContact CG2-SD 4.3Å; I369-M373 WeakPolarHBondContact O-CG 3.31Å; I369-M373 PolarHBondContact O-N 2.94Å
370V94.9Very high94.7Very high95 Ų9594.2 Ų94.258%0.57648%0.478SS*.Hα-helixtrans-62.5-40.3178.4174.80000110.7R366 S367 R372 M373 L374R366-V370 WeakPolarHBondContact O-CG2 3.47Å; R366-V370 PolarHBondContact O-N 3.38Å; S367-V370 PolarHBondContact O-N 3.15Å; V370-R372 VanDerWaalsContact C-N 3.34Å; V370-R372 PolarHBondContact O-N 2.76Å; V370-M373 WeakPolarHBondContact O-CB 3.36Å; V370-M373 PolarHBondContact O-N 3.07Å; V370-L374 WeakPolarHBondContact O-CB 3.45Å; V370-L374 PolarHBondContact O-N 3.28Å
371R91.7Very high94.3Very high90 Ų9088.5 Ų88.534%0.3446%0.461SS..Hα-helixtrans-59.9-43.2174.4-178.86367.5161.413.9111.9S268 S367 A368 I369 M373 L374 N375S268-R371 VanDerWaalsContact CB-NH1 3.28Å; S268-R371 VanDerWaalsContact CB-NH2 3.27Å; S268-R371 VanDerWaalsContact OG-CZ 3.32Å; S268-R371 PolarHBondContact OG-NH1 3.1Å; S268-R371 PolarHBondContact OG-NH2 3.05Å; S367-R371 VanDerWaalsContact O-CB 3.31Å; S367-R371 WeakPolarHBondContact O-CB 3.29Å; S367-R371 PolarHBondContact O-N 3.04Å; A368-R371 PolarHBondContact O-N 3.03Å; I369-R371 VanDerWaalsContact C-N 3.31Å; I369-R371 PolarHBondContact O-N 2.82Å; R371-M373 VanDerWaalsContact C-N 3.31Å; R371-M373 PolarHBondContact O-N 3.41Å; R371-L374 PolarHBondContact O-N 3.29Å; R371-N375 VanDerWaalsContact O-CG 3.23Å; R371-N375 PolarHBondContact O-N 3.25Å; R371-N375 PolarHBondContact O-OD1 3.1Å; R371-N375 VanDerWaalsContact O-OD1 3.11Å
372R94.8Very high93.7Very high192 Ų19290.6 Ų90.673%0.72547%0.473SS*.Hα-helixtrans-62.3-40.4176.8-176.462.1175-169.81.7111.7A368 I369 V370 Y376A368-R372 PolarHBondContact O-N 3.04Å; I369-R372 WeakPolarHBondContact O-CB 3.48Å; I369-R372 PolarHBondContact O-N 3.09Å; V370-R372 VanDerWaalsContact C-N 3.34Å; V370-R372 PolarHBondContact O-N 2.76Å; R372-Y376 PolarHBondContact O-N 3.36Å
373M96.2Very high93Very high120 Ų12093.7 Ų93.759%0.59149%0.492SS*.Hα-helixtrans-65.5-44.6174.8-66.8173.7175.600111.7I369 V370 R371 Y376 V377I369-M373 HydrophobicContact CG2-CE 3.75Å; I369-M373 HydrophobicContact CG2-SD 4.3Å; I369-M373 WeakPolarHBondContact O-CG 3.31Å; I369-M373 PolarHBondContact O-N 2.94Å; V370-M373 WeakPolarHBondContact O-CB 3.36Å; V370-M373 PolarHBondContact O-N 3.07Å; R371-M373 VanDerWaalsContact C-N 3.31Å; R371-M373 PolarHBondContact O-N 3.41Å; M373-Y376 WeakPolarHBondContact O-CB 3.31Å; M373-Y376 PolarHBondContact O-N 3.28Å; M373-V377 WeakPolarHBondContact O-CG2 3.21Å; M373-V377 PolarHBondContact O-N 3.07Å; M373-V377 VanDerWaalsContact O-N 3.09Å
374L91.6Very high92.3Very high52 Ų5291.7 Ų91.727%0.27249%0.487SS..Hα-helixtrans-56.7-51.7176.4176.163.3000111.2V370 R371 Y376 V377 E378V370-L374 WeakPolarHBondContact O-CB 3.45Å; V370-L374 PolarHBondContact O-N 3.28Å; R371-L374 PolarHBondContact O-N 3.29Å; L374-Y376 PolarHBondContact O-N 2.8Å; L374-V377 PolarHBondContact O-N 2.73Å; L374-E378 HydrophobicContact CD1-CG 3.95Å; L374-E378 WeakPolarHBondContact CD1-OE1 3.5Å; L374-E378 HydrophobicContact CG-CG 4.26Å; L374-E378 WeakPolarHBondContact O-CG 3.42Å; L374-E378 PolarHBondContact O-N 3.49Å
375N90.9Very high91.5Very high75 Ų7593.8 Ų93.840%0.40150%0.497SS..Hα-helixtrans-58.4-36.9-180-66.86.5000112.1R371 S379R371-N375 VanDerWaalsContact O-CG 3.23Å; R371-N375 PolarHBondContact O-N 3.25Å; R371-N375 PolarHBondContact O-OD1 3.1Å; R371-N375 VanDerWaalsContact O-OD1 3.11Å; N375-S379 WeakPolarHBondContact O-CB 3.48Å; N375-S379 PolarHBondContact O-N 2.94Å; N375-S379 VanDerWaalsContact O-N 3.09Å
376Y94.6Very high90.6Very high168 Ų16893.4 Ų93.466%0.65950%0.496SS*.Hα-helixtrans-63.7-49.5174.8174.5-99.6000111.1R372 M373 L374 E378 S379R372-Y376 PolarHBondContact O-N 3.36Å; M373-Y376 WeakPolarHBondContact O-CB 3.31Å; M373-Y376 PolarHBondContact O-N 3.28Å; L374-Y376 PolarHBondContact O-N 2.8Å; Y376-E378 PolarHBondContact O-N 2.99Å; Y376-S379 PolarHBondContact O-N 3.17Å; Y376-S379 PolarHBondContact O-OG 3.03Å
377V93.2Very high89.9Confident77 Ų7790.5 Ų90.547%0.46749%0.489SS..Hα-helixtrans-62.4-45.6179.2177.20000111.1M373 L374 S379 T380M373-V377 WeakPolarHBondContact O-CG2 3.21Å; M373-V377 PolarHBondContact O-N 3.07Å; M373-V377 VanDerWaalsContact O-N 3.09Å; L374-V377 PolarHBondContact O-N 2.73Å; V377-S379 PolarHBondContact O-N 3.43Å; V377-T380 WeakPolarHBondContact O-CB 3.24Å; V377-T380 PolarHBondContact O-N 2.96Å; V377-T380 PolarHBondContact O-OG1 3.45Å
378E90.6Very high89.5Confident58 Ų5887.4 Ų87.427%0.27147%0.466SS..Hα-helixtrans-60.3-32.9177.7-73.8176.7163.700112.8L374 Y376 T380 I381 S384L374-E378 HydrophobicContact CD1-CG 3.95Å; L374-E378 WeakPolarHBondContact CD1-OE1 3.5Å; L374-E378 HydrophobicContact CG-CG 4.26Å; L374-E378 WeakPolarHBondContact O-CG 3.42Å; L374-E378 PolarHBondContact O-N 3.49Å; Y376-E378 PolarHBondContact O-N 2.99Å; E378-T380 PolarHBondContact O-N 2.79Å; E378-I381 PolarHBondContact O-N 3.4Å; E378-S384 VanDerWaalsContact O-CB 3.29Å; E378-S384 WeakPolarHBondContact O-CB 3.29Å; E378-S384 PolarHBondContact O-OG 2.99Å
379S91.9Very high89.3Confident92 Ų9289.4 Ų89.464%0.64347%0.465SS*.Hα-helixtrans-67.7-19175.9780000113.7N375 Y376 V377N375-S379 WeakPolarHBondContact O-CB 3.48Å; N375-S379 PolarHBondContact O-N 2.94Å; N375-S379 VanDerWaalsContact O-N 3.09Å; Y376-S379 PolarHBondContact O-N 3.17Å; Y376-S379 PolarHBondContact O-OG 3.03Å; V377-S379 PolarHBondContact O-N 3.43Å
380T93.8Very high88.9Confident88 Ų8888.1 Ų88.154%0.5446%0.457SS..THydrogen-bonded Turntrans-86.5-12.1177.970.30000113.6V377 E378V377-T380 WeakPolarHBondContact O-CB 3.24Å; V377-T380 PolarHBondContact O-N 2.96Å; V377-T380 PolarHBondContact O-OG1 3.45Å; E378-T380 PolarHBondContact O-N 2.79Å
381I87.5Confident88.7Confident74 Ų7483.6 Ų83.638%0.37943%0.43SS..SBendtrans-114.5116.6-173.8-58.9174.8000109.3E378 N383 S384 I387E378-I381 PolarHBondContact O-N 3.4Å; I381-N383 PolarHBondContact O-N 3.04Å; I381-S384 WeakPolarHBondContact O-CB 3.33Å; I381-S384 PolarHBondContact O-N 3.26Å; I381-S384 PolarHBondContact O-OG 3.41Å; I381-I387 HydrophobicContact CG2-CD1 4.01Å
382P85.4Confident88.7Confident112 Ų11280.5 Ų80.573%0.72742%0.42SS*.THydrogen-bonded Turntrans-56.9137.3171-2333.4000111S384P382-S384 PolarHBondContact O-N 3.36Å
383N82.4Confident88.5Confident114 Ų11479.2 Ų79.261%0.6142%0.422SS*.THydrogen-bonded Turntrans57.931.4-178.3-49.7-48.9000114.3I381 S385 L386I381-N383 PolarHBondContact O-N 3.04Å; N383-S385 PolarHBondContact O-N 3.44Å; N383-S385 VanDerWaalsContact O-N 3.11Å; N383-L386 HydrophobicContact CB-CD1 3.85Å; N383-L386 HydrophobicContact CB-CG 4.19Å; N383-L386 WeakPolarHBondContact O-CB 3.32Å; N383-L386 PolarHBondContact O-N 2.83Å
384S82.9Confident88.5Confident27 Ų2774.2 Ų74.219%0.18940%0.397CS..G310 helixtrans-54.1-28174.848.70000113.5E378 I381 P382 L386 I387E378-S384 VanDerWaalsContact O-CB 3.29Å; E378-S384 WeakPolarHBondContact O-CB 3.29Å; E378-S384 PolarHBondContact O-OG 2.99Å; I381-S384 WeakPolarHBondContact O-CB 3.33Å; I381-S384 PolarHBondContact O-N 3.26Å; I381-S384 PolarHBondContact O-OG 3.41Å; P382-S384 PolarHBondContact O-N 3.36Å; S384-L386 PolarHBondContact O-N 2.81Å; S384-L386 VanDerWaalsContact O-N 3.15Å; S384-I387 WeakPolarHBondContact O-CB 3.29Å; S384-I387 PolarHBondContact O-N 3.42Å
385S78.3Confident88.6Confident77 Ų7771.7 Ų71.754%0.53839%0.385SS..G310 helixtrans-60.3-19.8173.456.60000114.7H267 N383 I387H267-S385 PolarHBondContact NE2-O 2.82Å; N383-S385 PolarHBondContact O-N 3.44Å; N383-S385 VanDerWaalsContact O-N 3.11Å; S385-I387 VanDerWaalsContact C-N 3.34Å
386L78.9Confident88.6Confident100 Ų10070 Ų7052%0.52438%0.377SS..G310 helixtrans-82.3-13.3175.1-61.4178.9000112.8N383 S384 F400N383-L386 HydrophobicContact CB-CD1 3.85Å; N383-L386 HydrophobicContact CB-CG 4.19Å; N383-L386 WeakPolarHBondContact O-CB 3.32Å; N383-L386 PolarHBondContact O-N 2.83Å; S384-L386 PolarHBondContact O-N 2.81Å; S384-L386 VanDerWaalsContact O-N 3.15Å; L386-F400 WeakPolarHBondContact O-CZ 2.98Å
387I83.1Confident88.6Confident63 Ų6362.6 Ų62.632%0.32335%0.349SS..  trans-90.6128.4-176.7-57.3176.3000108.7I381 S384 S385 H389I381-I387 HydrophobicContact CG2-CD1 4.01Å; S384-I387 WeakPolarHBondContact O-CB 3.29Å; S384-I387 PolarHBondContact O-N 3.42Å; S385-I387 VanDerWaalsContact C-N 3.34Å; I387-H389 WeakPolarHBondContact CG2-CD2 3.27Å
388N84.8Confident88.6Confident10 Ų1058.9 Ų58.95%0.05333%0.326CS..  trans-141.852.8-168.3-156.2-12.8000114.2S214 G215 R297 H390 F400S214-N388 WeakPolarHBondContact CA-OD1 3.21Å; S214-N388 WeakPolarHBondContact CB-OD1 3.32Å; S214-N388 PolarHBondContact O-ND2 2.89Å; S214-N388 PolarHBondContact OG-O 2.87Å; S214-N388 PolarHBondContact OG-OD1 2.87Å; G215-N388 PolarHBondContact N-ND2 3.29Å; R297-N388 PolarHBondContact NH2-O 3.45Å; R297-N388 VanDerWaalsContact NH2-O 3.08Å; N388-H390 PolarHBondContact O-N 2.75Å; N388-H390 PolarHBondContact OD1-CD2 2.9Å; N388-F400 HydrophobicContact CB-CD2 3.78Å; N388-F400 HydrophobicContact CB-CE2 3.88Å; N388-F400 HydrophobicContact CB-CG 4.23Å; N388-F400 HydrophobicContact CB-CZ 4.43Å; N388-F400 WeakPolarHBondContact O-CB 3.43Å
389H89.3Confident88.5Confident103 Ų10361.1 Ų61.148%0.47734%0.335SS..G310 helixtrans-75.93.5-179.4-67.7-67.4000114.4I387 L391 D392 F400I387-H389 WeakPolarHBondContact CG2-CD2 3.27Å; H389-L391 PolarHBondContact O-N 3.33Å; H389-L391 VanDerWaalsContact O-N 3.08Å; H389-D392 IonicContact CE1-OD2 3.13Å; H389-D392 IonicContact CG-OD2 2.79Å; H389-D392 IonicContact ND1-OD2 3.95Å; H389-D392 PolarHBondContact ND1-OD2 3.32Å; H389-D392 WeakPolarHBondContact O-CB 3.27Å; H389-D392 PolarHBondContact O-N 3.17Å; H389-D392 VanDerWaalsContact O-N 3.07Å; H389-F400 AromaticContact CE1-CD1 3.77Å
390H89.4Confident88.3Confident64 Ų6458.2 Ų58.230%0.29631%0.311SS..G310 helixtrans-59.1-26.6-173-59.5-61.2000113.9P212 N388P212-H390 HydrophobicContact CB-CB 3.9Å; P212-H390 HydrophobicContact CG-CB 3.68Å; N388-H390 PolarHBondContact O-N 2.75Å; N388-H390 PolarHBondContact OD1-CD2 2.9Å
391L91.7Very high87.8Confident0 Ų056.2 Ų56.20%030%0.296CS..G310 helixtrans-91.9-11.2-179.5-161.170.5000114F211 P212 L216 F293 H389 E393 I394 S395 A398F211-L391 HydrophobicContact CB-CD1 4.35Å; P212-L391 HydrophobicContact CG-CD1 4.4Å; L216-L391 HydrophobicContact CD1-CD2 4.01Å; L216-L391 HydrophobicContact CD2-CD2 3.99Å; L216-L391 HydrophobicContact CG-CD2 4.43Å; F293-L391 HydrophobicContact CB-CD2 4.17Å; F293-L391 HydrophobicContact CD1-CD1 4.14Å; F293-L391 HydrophobicContact CD1-CD2 4.04Å; F293-L391 HydrophobicContact CE1-CD1 3.94Å; F293-L391 HydrophobicContact CE2-CD1 4.47Å; F293-L391 HydrophobicContact CG-CD2 4.11Å; F293-L391 HydrophobicContact CZ-CD1 4.1Å; H389-L391 PolarHBondContact O-N 3.33Å; H389-L391 VanDerWaalsContact O-N 3.08Å; L391-E393 VanDerWaalsContact C-N 3.33Å; L391-E393 PolarHBondContact O-N 3.27Å; L391-I394 HydrophobicContact CD1-CB 4.08Å; L391-I394 HydrophobicContact CD1-CG2 4.01Å; L391-I394 CarbonylContact O-C 3.58Å; L391-I394 WeakPolarHBondContact O-CA 3.25Å; L391-I394 WeakPolarHBondContact O-CB 3.33Å; L391-I394 PolarHBondContact O-N 3.07Å; L391-S395 PolarHBondContact O-N 2.83Å; L391-A398 HydrophobicContact CD2-CB 3.8Å
392D91.1Very high87.5Confident25 Ų2555.7 Ų55.713%0.13430%0.295CS..THydrogen-bonded Turntrans-63.5-35.9-163.3-73.27.8000113.8H389 K399 F400H389-D392 IonicContact CE1-OD2 3.13Å; H389-D392 IonicContact CG-OD2 2.79Å; H389-D392 IonicContact ND1-OD2 3.95Å; H389-D392 PolarHBondContact ND1-OD2 3.32Å; H389-D392 WeakPolarHBondContact O-CB 3.27Å; H389-D392 PolarHBondContact O-N 3.17Å; H389-D392 VanDerWaalsContact O-N 3.07Å; D392-K399 HydrophobicContact CB-CG 4.25Å; D392-K399 WeakPolarHBondContact OD1-CA 3.44Å; D392-F400 PolarHBondContact OD1-N 2.97Å
393E91.4Very high86.8Confident164 Ų16454.9 Ų54.977%0.76629%0.289SS*.THydrogen-bonded Turntrans-81.9-18.8174.6-68.2-60.9128.900112.8L391L391-E393 VanDerWaalsContact C-N 3.33Å; L391-E393 PolarHBondContact O-N 3.27Å
394I95.1Very high86.3Confident15 Ų1555.6 Ų55.68%0.07729%0.292CS..THydrogen-bonded Turntrans-85.8-36.3179.9-65173.5000110.6Y209 P212 F293 A323 A324 F326 P327 L391Y209-I394 HydrophobicContact CE1-CG2 3.85Å; Y209-I394 WeakPolarHBondContact OH-CG2 3.41Å; P212-I394 VanDerWaalsContact CD-CD1 3.43Å; P212-I394 HydrophobicContact CG-CD1 4.14Å; F293-I394 HydrophobicContact CE2-CG2 4Å; F293-I394 HydrophobicContact CZ-CG2 4.19Å; A323-I394 CarbonylContact C-O 3.54Å; A323-I394 VanDerWaalsContact CA-O 3.24Å; A323-I394 WeakPolarHBondContact CA-O 3.49Å; A324-I394 PolarHBondContact N-O 2.84Å; F326-I394 HydrophobicContact CE1-CG1 4.3Å; F326-I394 HydrophobicContact CZ-CD1 4.37Å; F326-I394 HydrophobicContact CZ-CG1 3.89Å; P327-I394 HydrophobicContact CG-CG1 4.49Å; P327-I394 HydrophobicContact CG-CG2 4.28Å; L391-I394 HydrophobicContact CD1-CB 4.08Å; L391-I394 HydrophobicContact CD1-CG2 4.01Å; L391-I394 CarbonylContact O-C 3.58Å; L391-I394 WeakPolarHBondContact O-CA 3.25Å; L391-I394 WeakPolarHBondContact O-CB 3.33Å; L391-I394 PolarHBondContact O-N 3.07Å
395S94.8Very high85.7Confident0 Ų057.3 Ų57.30%030%0.297CS..  trans-142.498.8-178.1-173.40000111.3F293 L391 E397 A398 K399F293-S395 WeakPolarHBondContact CD2-OG 3.19Å; L391-S395 PolarHBondContact O-N 2.83Å; S395-E397 PolarHBondContact O-N 3.38Å; S395-E397 VanDerWaalsContact O-N 3.15Å; S395-A398 CarbonylContact O-C 3.53Å; S395-A398 PolarHBondContact O-N 3.42Å; S395-K399 PolarHBondContact O-N 2.99Å
396P91.3Very high85.2Confident38 Ų3858 Ų5825%0.24730%0.3CS..G310 helixtrans-59.4-24.9174.8-24.834.5000113.7Q321 A398Q321-P396 HydrophobicContact CB-CB 4.18Å; Q321-P396 HydrophobicContact CB-CG 4.4Å; P396-A398 VanDerWaalsContact C-N 3.31Å
397E93.6Very high84.5Confident13 Ų1357.3 Ų57.36%0.06130%0.304CS..G310 helixtrans-78.3-13.9178.2-67.6-61.8160.200113.6M294 Y320 Q321 S395 R419M294-E397 HydrophobicContact CE-CB 4.31Å; M294-E397 HydrophobicContact CE-CG 4.49Å; M294-E397 HydrophobicContact CG-CB 3.81Å; M294-E397 WeakPolarHBondContact CG-O 3.44Å; M294-E397 HydrophobicContact SD-CB 3.94Å; M294-E397 HydrophobicContact SD-CG 4.42Å; Y320-E397 VanDerWaalsContact CA-OE1 3.24Å; Y320-E397 WeakPolarHBondContact CA-OE1 3.3Å; Q321-E397 HydrophobicContact CB-CG 4.11Å; Q321-E397 PolarHBondContact N-OE1 3.15Å; S395-E397 PolarHBondContact O-N 3.38Å; S395-E397 VanDerWaalsContact O-N 3.15Å; E397-R419 VanDerWaalsContact CD-NH1 3.26Å; E397-R419 IonicContact OE1-NH1 3.13Å; E397-R419 PolarHBondContact OE1-NH1 3.29Å; E397-R419 VanDerWaalsContact OE1-NH1 3.13Å; E397-R419 IonicContact OE2-CZ 3.19Å; E397-R419 IonicContact OE2-NH1 2.74Å; E397-R419 PolarHBondContact OE2-NH1 3.03Å; E397-R419 IonicContact OE2-NH2 2.74Å; E397-R419 PolarHBondContact OE2-NH2 3.13Å
398A92.7Very high83.6Confident0 Ų061.8 Ų61.80%033%0.328CS..G310 helixtrans-12830.9-174.600000112.2F293 R297 L391 S395 P396F293-A398 HydrophobicContact CB-CB 3.48Å; F293-A398 VanDerWaalsContact CB-CB 3.48Å; R297-A398 HydrophobicContact CG-CB 3.75Å; R297-A398 PolarHBondContact NE-O 3.04Å; L391-A398 HydrophobicContact CD2-CB 3.8Å; S395-A398 CarbonylContact O-C 3.53Å; S395-A398 PolarHBondContact O-N 3.42Å; P396-A398 VanDerWaalsContact C-N 3.31Å
399K89.6Confident82.6Confident104 Ų10468.5 Ų68.545%0.45236%0.357SS..PPolyproline II helixtrans-57.3141176-73.9-173.5178.2-168.10111.2Y299 D392 S395 I401Y299-K399 PolarHBondContact OH-O 2.71Å; Y299-K399 VanDerWaalsContact OH-O 3.06Å; D392-K399 HydrophobicContact CB-CG 4.25Å; D392-K399 WeakPolarHBondContact OD1-CA 3.44Å; S395-K399 PolarHBondContact O-N 2.99Å; K399-I401 PolarHBondContact O-N 3.41Å
400F87.1Confident81.4Confident32 Ų3269 Ų6914%0.1436%0.358CS..PPolyproline II helixtrans-63.8123.7177179.3-111.9000111.3L386 N388 H389 D392 N402L386-F400 WeakPolarHBondContact O-CZ 2.98Å; N388-F400 HydrophobicContact CB-CD2 3.78Å; N388-F400 HydrophobicContact CB-CE2 3.88Å; N388-F400 HydrophobicContact CB-CG 4.23Å; N388-F400 HydrophobicContact CB-CZ 4.43Å; N388-F400 WeakPolarHBondContact O-CB 3.43Å; H389-F400 AromaticContact CE1-CD1 3.77Å; D392-F400 PolarHBondContact OD1-N 2.97Å; F400-N402 HydrophobicContact CE1-CB 4.15Å
401I84.4Confident80.4Confident45 Ų4570.2 Ų70.223%0.23137%0.37CS..PPolyproline II helixtrans-98.5117.2170.3-62.7168.7000107.6Y299 K399 P403 T411 I413Y299-I401 HydrophobicContact CE1-CD1 3.9Å; Y299-I401 WeakPolarHBondContact OH-CD1 3.02Å; Y299-I401 WeakPolarHBondContact OH-CG1 3.42Å; K399-I401 PolarHBondContact O-N 3.41Å; I401-P403 VanDerWaalsContact O-CD 3.23Å; I401-P403 WeakPolarHBondContact O-CD 3.01Å; I401-T411 VanDerWaalsContact CD1-O 3.3Å; I401-T411 WeakPolarHBondContact CD1-O 3.14Å; I401-I413 HydrophobicContact CD1-CD1 3.78Å; I401-I413 HydrophobicContact CD1-CG1 4.16Å; I401-I413 HydrophobicContact CG1-CD1 4.5Å
402N80.1Confident79.6Confident64 Ų6476 Ų7634%0.34241%0.405SS..PPolyproline II helixtrans-65.5117179.4-177.2-7.3000110.1F400 L404 E405F400-N402 HydrophobicContact CE1-CB 4.15Å; N402-L404 PolarHBondContact O-N 3.19Å; N402-L404 VanDerWaalsContact O-N 3.13Å; N402-L404 WeakPolarHBondContact OD1-CB 3.44Å; N402-L404 PolarHBondContact OD1-N 3.29Å; N402-E405 HydrophobicContact CB-CB 4.32Å; N402-E405 VanDerWaalsContact O-CB 3.27Å; N402-E405 WeakPolarHBondContact O-CB 3.22Å; N402-E405 PolarHBondContact O-N 2.89Å
403P71.3Confident79.2Confident94 Ų9477 Ų7761%0.6141%0.41SS*.THydrogen-bonded Turntrans-60.7-25.5180-22.633.7000113.5I401 E405I401-P403 VanDerWaalsContact O-CD 3.23Å; I401-P403 WeakPolarHBondContact O-CD 3.01Å; P403-E405 VanDerWaalsContact C-N 3.31Å
404L70.6Confident79.2Confident129 Ų12976 Ų7668%0.67540%0.403SS*.THydrogen-bonded Turntrans-85-2.1-179.5-56.5175.1000113N402N402-L404 PolarHBondContact O-N 3.19Å; N402-L404 VanDerWaalsContact O-N 3.13Å; N402-L404 WeakPolarHBondContact OD1-CB 3.44Å; N402-L404 PolarHBondContact OD1-N 3.29Å
405E71.7Confident79.1Confident64 Ų6479.9 Ų79.930%0.29942%0.419SS..SBendtrans-65133.4178.2-161.2170-155.300110.5N402 P403 S407 K409N402-E405 HydrophobicContact CB-CB 4.32Å; N402-E405 VanDerWaalsContact O-CB 3.27Å; N402-E405 WeakPolarHBondContact O-CB 3.22Å; N402-E405 PolarHBondContact O-N 2.89Å; P403-E405 VanDerWaalsContact C-N 3.31Å; E405-S407 PolarHBondContact O-N 3.5Å; E405-K409 HydrophobicContact CG-CB 4.12Å
406P66.5Low79.2Confident90 Ų9080.1 Ų80.158%0.58442%0.42SS*.  trans-52.1137.8-179.8-25.332.1000111.3N408 K409P406-N408 PolarHBondContact O-N 3.45Å; P406-K409 PolarHBondContact O-N 2.93Å
407S64.8Low79.3Confident87 Ų8783.3 Ų83.361%0.60844%0.443SS*.G310 helixtrans-47.6-35.9-175.154.60000114E405 K409 K410E405-S407 PolarHBondContact O-N 3.5Å; S407-K409 PolarHBondContact O-N 3.4Å; S407-K410 PolarHBondContact O-N 3.24Å
408N64.9Low79.3Confident157 Ų15792.2 Ų92.284%0.8448%0.477SS*.G310 helixtrans-74.7-6.2-176.3-60.50.5000113.7P406P406-N408 PolarHBondContact O-N 3.45Å
409K63.3Low79.4Confident150 Ų15094.2 Ų94.265%0.65248%0.484SS*.G310 helixtrans-117.32.5175.5-70.3-171.8177.7-176.70113.6E405 P406 S407 T411E405-K409 HydrophobicContact CG-CB 4.12Å; P406-K409 PolarHBondContact O-N 2.93Å; S407-K409 PolarHBondContact O-N 3.4Å; K409-T411 PolarHBondContact O-N 3.32Å
410K63.1Low79.5Confident114 Ų11495.6 Ų95.650%0.49649%0.492SS..  trans-60110.9-176.9-76.6-174.8177.1-174.30110.5S407 V412S407-K410 PolarHBondContact O-N 3.24Å; K410-V412 PolarHBondContact O-N 3.29Å
411T68.9Low79.8Confident89 Ų8997.4 Ų97.455%0.54651%0.506SS..  trans-65.4118173.2-610000108.3I401 K409I401-T411 VanDerWaalsContact CD1-O 3.3Å; I401-T411 WeakPolarHBondContact CD1-O 3.14Å; K409-T411 PolarHBondContact O-N 3.32Å
412V75.3Confident80.1Confident123 Ų12397.7 Ų97.775%0.74551%0.506SS*.  trans-98.1113.9176.2-178.70000108.9K410 K414K410-V412 PolarHBondContact O-N 3.29Å; V412-K414 PolarHBondContact O-N 2.99Å
413I83.6Confident80.4Confident45 Ų4597.7 Ų97.723%0.23151%0.506CS..PPolyproline II helixtrans-75.6117.9172.9-66.7167000108.1Y299 I401Y299-I413 HydrophobicContact CD1-CD1 4.3Å; Y299-I413 HydrophobicContact CD2-CB 4.49Å; Y299-I413 HydrophobicContact CD2-CD1 3.3Å; Y299-I413 HydrophobicContact CD2-CG1 4.47Å; Y299-I413 HydrophobicContact CD2-CG2 4.38Å; Y299-I413 HydrophobicContact CE1-CD1 4.16Å; Y299-I413 HydrophobicContact CE2-CD1 3.11Å; Y299-I413 HydrophobicContact CG-CB 4.41Å; Y299-I413 HydrophobicContact CG-CD1 3.93Å; Y299-I413 HydrophobicContact CG-CG2 4.42Å; I401-I413 HydrophobicContact CD1-CD1 3.78Å; I401-I413 HydrophobicContact CD1-CG1 4.16Å; I401-I413 HydrophobicContact CG1-CD1 4.5Å
414K90.4Very high81.1Confident143 Ų14394.9 Ų94.962%0.62249%0.487SS*.PPolyproline II helixtrans-70.4130.7178.1-66.7-176.9-178.2178.60109.6V412 R419V412-K414 PolarHBondContact O-N 2.99Å; K414-R419 HydrophobicContact CB-CG 4.34Å; K414-R419 PolarHBondContact O-NE 3.06Å; K414-R419 PolarHBondContact O-NH2 3.29Å
415K93.6Very high81.7Confident97 Ų9789.9 Ų89.942%0.42246%0.461SS..PPolyproline II helixtrans-54.4143.7169.1-66.3-163.9173.4-162.60111.3E300 S417 R418 R419E300-K415 WeakPolarHBondContact OE1-CA 3.38Å; E300-K415 WeakPolarHBondContact OE1-CB 3.43Å; K415-S417 PolarHBondContact O-N 3.06Å; K415-R418 PolarHBondContact O-N 2.87Å; K415-R419 WeakPolarHBondContact O-CG 3.12Å
416L95.7Very high82.2Confident4 Ų492.5 Ų92.52%0.02148%0.477CS..G310 helixtrans-52.1-41.1-179.6-72.7-179.8000112.1I291 M294 E300 V304 M308 P318 Y320 R418 R419I291-L416 HydrophobicContact CD1-CD1 4.48Å; I291-L416 HydrophobicContact CG1-CD1 4.17Å; M294-L416 HydrophobicContact CE-CD1 3.87Å; M294-L416 HydrophobicContact CE-CD2 4.04Å; M294-L416 HydrophobicContact CE-CG 4.16Å; M294-L416 HydrophobicContact SD-CD2 4.36Å; M294-L416 HydrophobicContact SD-CG 4.41Å; E300-L416 PolarHBondContact OE1-N 3.03Å; V304-L416 HydrophobicContact CG2-CB 4.49Å; V304-L416 HydrophobicContact CG2-CD1 3.88Å; M308-L416 HydrophobicContact CE-CD1 4.45Å; M308-L416 HydrophobicContact SD-CD1 4.32Å; P318-L416 HydrophobicContact CB-CB 4.45Å; P318-L416 HydrophobicContact CB-CD2 4.41Å; P318-L416 WeakPolarHBondContact CB-O 3.16Å; P318-L416 HydrophobicContact CG-CB 4.11Å; P318-L416 HydrophobicContact CG-CD2 4.17Å; Y320-L416 HydrophobicContact CD1-CD2 3.92Å; Y320-L416 HydrophobicContact CG-CD2 4.04Å; L416-R418 PolarHBondContact O-N 3.33Å; L416-R418 VanDerWaalsContact O-N 3.08Å; L416-R419 PolarHBondContact O-N 3.14Å; L416-R419 VanDerWaalsContact O-N 3.08Å
417S93.7Very high83.2Confident105 Ų10592.6 Ų92.673%0.73447%0.47SS*.G310 helixtrans-62.6-14.3177.558.70000114.9K415K415-S417 PolarHBondContact O-N 3.06Å
418R93.7Very high84.1Confident201 Ų20190.1 Ų90.176%0.75845%0.448SS*.G310 helixtrans-109.45.1178.9-59.9-178.5179.5177.4-1.2113K415 L416K415-R418 PolarHBondContact O-N 2.87Å; L416-R418 PolarHBondContact O-N 3.33Å; L416-R418 VanDerWaalsContact O-N 3.08Å
419R94.5Very high84.8Confident42 Ų4286 Ų8616%0.15843%0.425CS..SBendtrans-88.4158.2-179.7-60.4-170.2-173.1-168.12.1110.6P318 Q319 E397 K414 K415 L416 V421P318-R419 HydrophobicContact CB-CB 4.27Å; Q319-R419 WeakPolarHBondContact O-CD 3.42Å; Q319-R419 PolarHBondContact O-NH1 2.88Å; E397-R419 VanDerWaalsContact CD-NH1 3.26Å; E397-R419 IonicContact OE1-NH1 3.13Å; E397-R419 PolarHBondContact OE1-NH1 3.29Å; E397-R419 VanDerWaalsContact OE1-NH1 3.13Å; E397-R419 IonicContact OE2-CZ 3.19Å; E397-R419 IonicContact OE2-NH1 2.74Å; E397-R419 PolarHBondContact OE2-NH1 3.03Å; E397-R419 IonicContact OE2-NH2 2.74Å; E397-R419 PolarHBondContact OE2-NH2 3.13Å; K414-R419 HydrophobicContact CB-CG 4.34Å; K414-R419 PolarHBondContact O-NE 3.06Å; K414-R419 PolarHBondContact O-NH2 3.29Å; K415-R419 WeakPolarHBondContact O-CG 3.12Å; L416-R419 PolarHBondContact O-N 3.14Å; L416-R419 VanDerWaalsContact O-N 3.08Å; R419-V421 PolarHBondContact O-N 3.08Å
420H92.8Very high85.8Confident132 Ų13282.5 Ų82.561%0.61141%0.411SS*.PPolyproline II helixtrans-60136169.1-177.8-82.6000109.1Q319Q319-H420 WeakPolarHBondContact CG-O 3.32Å; Q319-H420 PolarHBondContact N-O 3.35Å; Q319-H420 PolarHBondContact NE2-ND1 3.49Å
421V92.7Very high86.8Confident71 Ų7183.1 Ų83.143%0.4341%0.413SS..BIsolated β-bridgetrans-97.4146.8178.3-64.90000110.6A316 K317 R419A316-V421 HydrophobicContact CB-CB 4Å; A316-V421 HydrophobicContact CB-CG2 4.25Å; K317-V421 WeakPolarHBondContact O-CA 3.31Å; R419-V421 PolarHBondContact O-N 3.08Å
422E90.3Very high87.2Confident50 Ų5082.1 Ų82.123%0.23441%0.405CS..PPolyproline II helixtrans-67.7172.9169.5-59-179.6-15800111.2S240 A316 K317 Q319 K428S240-E422 WeakPolarHBondContact CB-OE2 3.37Å; S240-E422 PolarHBondContact OG-OE2 3.24Å; A316-E422 VanDerWaalsContact CB-O 3.28Å; A316-E422 WeakPolarHBondContact CB-O 3.22Å; K317-E422 IonicContact NZ-OE1 3.94Å; K317-E422 PolarHBondContact O-N 3.35Å; Q319-E422 HydrophobicContact CG-CG 4.49Å; E422-K428 IonicContact OE2-NZ 2.8Å; E422-K428 PolarHBondContact OE2-NZ 2.88Å
423L86.8Confident87.5Confident65 Ų6583.4 Ų83.434%0.3440%0.396SS..PPolyproline II helixtrans-59.8143.9167.3-61.2167.1000110.3E427 K428 K431L423-E427 WeakPolarHBondContact CA-OE2 3.26Å; L423-E427 HydrophobicContact CB-CB 4.06Å; L423-E427 HydrophobicContact CD2-CB 4.42Å; L423-K428 HydrophobicContact CB-CD 4.45Å; L423-K428 HydrophobicContact CB-CG 3.87Å; L423-K428 WeakPolarHBondContact O-CE 3.39Å; L423-K428 PolarHBondContact O-NZ 2.85Å; L423-K431 HydrophobicContact CD1-CD 3.77Å
424T85.9Confident87.3Confident35 Ų3587 Ų8722%0.21541%0.41CS..PPolyproline II helixtrans-60.2160.9172.365.10000110.5A316 D426 E427 K428A316-T424 HydrophobicContact CB-CG2 3.99Å; T424-D426 PolarHBondContact O-N 2.85Å; T424-E427 PolarHBondContact N-OE2 2.8Å; T424-E427 PolarHBondContact O-N 3.17Å; T424-E427 WeakPolarHBondContact OG1-CB 3.38Å; T424-E427 WeakPolarHBondContact OG1-CG 3.34Å; T424-E427 PolarHBondContact OG1-N 2.61Å; T424-E427 VanDerWaalsContact OG1-N 3.11Å; T424-E427 PolarHBondContact OG1-OE2 3.48Å; T424-K428 WeakPolarHBondContact O-CB 3.25Å; T424-K428 WeakPolarHBondContact O-CG 3.33Å; T424-K428 PolarHBondContact O-N 3.44Å
425V82.8Confident86.8Confident23 Ų2386.4 Ų86.414%0.13941%0.407CS..Hα-helixtrans-57.8-40.8175.1173.50000110.5R235 I242 F249 K428 M429R235-V425 HydrophobicContact CB-CG2 4.26Å; I242-V425 HydrophobicContact CD1-CG1 4.23Å; F249-V425 HydrophobicContact CD2-CG2 4.45Å; F249-V425 HydrophobicContact CE2-CB 4.47Å; F249-V425 HydrophobicContact CE2-CG1 3.68Å; F249-V425 HydrophobicContact CE2-CG2 3.88Å; F249-V425 HydrophobicContact CZ-CG1 4.33Å; F249-V425 HydrophobicContact CZ-CG2 4.08Å; V425-K428 WeakPolarHBondContact O-CB 3.41Å; V425-K428 PolarHBondContact O-N 3.22Å; V425-M429 HydrophobicContact CG1-CG 4.35Å; V425-M429 WeakPolarHBondContact O-CB 3.43Å; V425-M429 VanDerWaalsContact O-CG 3.27Å; V425-M429 WeakPolarHBondContact O-CG 3.49Å; V425-M429 PolarHBondContact O-N 2.75Å
426D82.9Confident85.8Confident119 Ų11989.2 Ų89.264%0.63642%0.415SS*.Hα-helixtrans-66.8-42.6-180-62.6-35.6000111.9T424 K428 M429 E430T424-D426 PolarHBondContact O-N 2.85Å; D426-K428 VanDerWaalsContact C-N 3.33Å; D426-K428 PolarHBondContact O-N 2.69Å; D426-M429 PolarHBondContact O-N 2.68Å; D426-E430 WeakPolarHBondContact O-CB 3.28Å; D426-E430 PolarHBondContact O-N 3.47Å
427E86.5Confident84.5Confident92 Ų9296.3 Ų96.343%0.4345%0.446SS..Hα-helixtrans-62.4-39.6173.6-73.8169.5150.900112.1L423 T424 E430 K431L423-E427 WeakPolarHBondContact CA-OE2 3.26Å; L423-E427 HydrophobicContact CB-CB 4.06Å; L423-E427 HydrophobicContact CD2-CB 4.42Å; T424-E427 PolarHBondContact N-OE2 2.8Å; T424-E427 PolarHBondContact O-N 3.17Å; T424-E427 WeakPolarHBondContact OG1-CB 3.38Å; T424-E427 WeakPolarHBondContact OG1-CG 3.34Å; T424-E427 PolarHBondContact OG1-N 2.61Å; T424-E427 VanDerWaalsContact OG1-N 3.11Å; T424-E427 PolarHBondContact OG1-OE2 3.48Å; E427-E430 PolarHBondContact O-N 2.78Å; E427-K431 WeakPolarHBondContact O-CG 3.47Å; E427-K431 PolarHBondContact O-N 2.78Å
428K84Confident83.2Confident35 Ų3596.7 Ų96.715%0.15244%0.438CS..Hα-helixtrans-65-44.5175.3-75.1166.6172.9147.90111.1S240 I242 E422 L423 T424 V425 D426 K431 L432S240-K428 PolarHBondContact OG-NZ 2.86Å; I242-K428 HydrophobicContact CD1-CB 3.85Å; E422-K428 IonicContact OE2-NZ 2.8Å; E422-K428 PolarHBondContact OE2-NZ 2.88Å; L423-K428 HydrophobicContact CB-CD 4.45Å; L423-K428 HydrophobicContact CB-CG 3.87Å; L423-K428 WeakPolarHBondContact O-CE 3.39Å; L423-K428 PolarHBondContact O-NZ 2.85Å; T424-K428 WeakPolarHBondContact O-CB 3.25Å; T424-K428 WeakPolarHBondContact O-CG 3.33Å; T424-K428 PolarHBondContact O-N 3.44Å; V425-K428 WeakPolarHBondContact O-CB 3.41Å; V425-K428 PolarHBondContact O-N 3.22Å; D426-K428 VanDerWaalsContact C-N 3.33Å; D426-K428 PolarHBondContact O-N 2.69Å; K428-K431 PolarHBondContact O-N 2.97Å; K428-L432 WeakPolarHBondContact O-CG 3.34Å; K428-L432 PolarHBondContact O-N 3Å
429M80.4Confident81.6Confident70 Ų7091 Ų9135%0.34542%0.423SS..Hα-helixtrans-62.7-41.9176.7-74.4-64.3-84.800111.9I242 V425 D426 L432 R433I242-M429 HydrophobicContact CD1-CG 3.66Å; I242-M429 HydrophobicContact CD1-SD 3.56Å; I242-M429 VanDerWaalsContact CD1-SD 3.56Å; I242-M429 HydrophobicContact CG2-SD 3.79Å; V425-M429 HydrophobicContact CG1-CG 4.35Å; V425-M429 WeakPolarHBondContact O-CB 3.43Å; V425-M429 VanDerWaalsContact O-CG 3.27Å; V425-M429 WeakPolarHBondContact O-CG 3.49Å; V425-M429 PolarHBondContact O-N 2.75Å; D426-M429 PolarHBondContact O-N 2.68Å; M429-L432 PolarHBondContact O-N 2.75Å; M429-L432 HydrophobicContact SD-CD1 4.36Å; M429-R433 WeakPolarHBondContact O-CG 3.44Å; M429-R433 PolarHBondContact O-N 2.98Å
430E84.1Confident80Confident77 Ų7792.8 Ų92.836%0.3644%0.439SS..Hα-helixtrans-66-40.7177-174.253.5-150.100111.7D426 E427 L432 R433 K434D426-E430 WeakPolarHBondContact O-CB 3.28Å; D426-E430 PolarHBondContact O-N 3.47Å; E427-E430 PolarHBondContact O-N 2.78Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 2.98Å; E430-R433 PolarHBondContact O-N 2.78Å; E430-R433 IonicContact OE2-NH1 3.9Å; E430-K434 WeakPolarHBondContact O-CG 3.34Å; E430-K434 PolarHBondContact O-N 3.01Å; E430-K434 VanDerWaalsContact OE1-CE 3.24Å; E430-K434 WeakPolarHBondContact OE1-CE 3.42Å
431K83.4Confident78.1Confident127 Ų12789.1 Ų89.155%0.55243%0.428SS*.Hα-helixtrans-60.5-41.8171.6-77.4-174.4179.3-174.90112.3L423 E427 K428 K434 K435L423-K431 HydrophobicContact CD1-CD 3.77Å; E427-K431 WeakPolarHBondContact O-CG 3.47Å; E427-K431 PolarHBondContact O-N 2.78Å; K428-K431 PolarHBondContact O-N 2.97Å; K431-K434 PolarHBondContact O-N 3.48Å; K431-K435 PolarHBondContact O-N 3.25Å
432L78.8Confident76.2Confident69 Ų6988.3 Ų88.336%0.36143%0.425SS..Hα-helixtrans-64.4-40.4175.7-73.5170.6000112.2I242 K428 M429 E430 K435 R436I242-L432 HydrophobicContact CB-CD1 4.01Å; I242-L432 HydrophobicContact CD1-CD1 4.31Å; I242-L432 HydrophobicContact CG2-CD1 4.36Å; K428-L432 WeakPolarHBondContact O-CG 3.34Å; K428-L432 PolarHBondContact O-N 3Å; M429-L432 PolarHBondContact O-N 2.75Å; M429-L432 HydrophobicContact SD-CD1 4.36Å; E430-L432 VanDerWaalsContact C-N 3.34Å; E430-L432 PolarHBondContact O-N 2.98Å; L432-K435 PolarHBondContact O-N 3.28Å; L432-R436 WeakPolarHBondContact O-CG 3.29Å; L432-R436 PolarHBondContact O-N 3.19Å
433R79.9Confident74.3Confident150 Ų15091.3 Ų91.357%0.56644%0.442SS*.Hα-helixtrans-62.7-45.4174.9-74.2172.9178.1171.3-0.2111.7M429 E430 R436 K437M429-R433 WeakPolarHBondContact O-CG 3.44Å; M429-R433 PolarHBondContact O-N 2.98Å; E430-R433 PolarHBondContact O-N 2.78Å; E430-R433 IonicContact OE2-NH1 3.9Å; R433-R436 PolarHBondContact O-N 3.47Å; R433-K437 WeakPolarHBondContact O-CG 3.48Å; R433-K437 PolarHBondContact O-N 2.92Å
434K81.2Confident72.7Confident121 Ų12193.8 Ų93.853%0.52645%0.452SS..Hα-helixtrans-60.7-44.1175.4-72.8177.7-179.9178.10111.6E430 K431 K437 I438E430-K434 WeakPolarHBondContact O-CG 3.34Å; E430-K434 PolarHBondContact O-N 3.01Å; E430-K434 VanDerWaalsContact OE1-CE 3.24Å; E430-K434 WeakPolarHBondContact OE1-CE 3.42Å; K431-K434 PolarHBondContact O-N 3.48Å; K434-K437 PolarHBondContact O-N 2.98Å; K434-I438 VanDerWaalsContact O-CG1 3.31Å; K434-I438 WeakPolarHBondContact O-CG1 3.15Å; K434-I438 PolarHBondContact O-N 2.9Å; K434-I438 VanDerWaalsContact O-N 3.08Å
435K78.2Confident71.3Confident129 Ų12998.4 Ų98.456%0.56147%0.469SS*.Hα-helixtrans-61.6-44.9176.5-168.4171.8-178.1171.40112.1K431 L432 K437 I438 D439K431-K435 PolarHBondContact O-N 3.25Å; L432-K435 PolarHBondContact O-N 3.28Å; K435-K437 VanDerWaalsContact C-N 3.35Å; K435-K437 PolarHBondContact O-N 3.44Å; K435-I438 PolarHBondContact O-N 3.01Å; K435-I438 VanDerWaalsContact O-N 3.17Å; K435-D439 PolarHBondContact O-N 3.48Å
436R73Confident69.8Low157 Ų157100.6 Ų100.659%0.59249%0.485SS*.Hα-helixtrans-60.6-40.8175.8-73.3-179.2-173.9-174.13.9112.8L432 R433 I438 D439 T440L432-R436 WeakPolarHBondContact O-CG 3.29Å; L432-R436 PolarHBondContact O-N 3.19Å; R433-R436 PolarHBondContact O-N 3.47Å; R436-I438 VanDerWaalsContact C-N 3.31Å; R436-I438 PolarHBondContact O-N 3.41Å; R436-D439 PolarHBondContact O-N 3.33Å; R436-T440 PolarHBondContact O-N 2.95Å; R436-T440 PolarHBondContact O-OG1 3.36Å
437K69Low68.4Low153 Ų15399.3 Ų99.367%0.66548%0.477SS*.Hα-helixtrans-62.8-38.4175.8-75-176178.1-1760112.2R433 K434 K435 T440 C441R433-K437 WeakPolarHBondContact O-CG 3.48Å; R433-K437 PolarHBondContact O-N 2.92Å; K434-K437 PolarHBondContact O-N 2.98Å; K435-K437 VanDerWaalsContact C-N 3.35Å; K435-K437 PolarHBondContact O-N 3.44Å; K437-T440 VanDerWaalsContact CA-OG1 3.32Å; K437-T440 WeakPolarHBondContact CA-OG1 3.33Å; K437-T440 PolarHBondContact O-OG1 2.95Å; K437-C441 WeakPolarHBondContact O-CB 3.47Å; K437-C441 PolarHBondContact O-N 3.01Å
438I66.1Low66.9Low112 Ų112101 Ų10157%0.57449%0.485SS*.Hα-helixtrans-67.6-42.9176.1-65.5163.6000110.4K434 K435 R436 T440 C441 S442K434-I438 VanDerWaalsContact O-CG1 3.31Å; K434-I438 WeakPolarHBondContact O-CG1 3.15Å; K434-I438 PolarHBondContact O-N 2.9Å; K434-I438 VanDerWaalsContact O-N 3.08Å; K435-I438 PolarHBondContact O-N 3.01Å; K435-I438 VanDerWaalsContact O-N 3.17Å; R436-I438 VanDerWaalsContact C-N 3.31Å; R436-I438 PolarHBondContact O-N 3.41Å; I438-T440 PolarHBondContact O-N 2.87Å; I438-C441 PolarHBondContact O-N 3.02Å; I438-S442 WeakPolarHBondContact O-CB 3.29Å; I438-S442 PolarHBondContact O-N 3.1Å; I438-S442 PolarHBondContact O-OG 3.26Å
439D60.6Low65.6Low81 Ų81102.9 Ų102.943%0.43350%0.5SS..Hα-helixtrans-65.3-36.7178.3-66.9-21.4000112K435 R436 S442 L443K435-D439 PolarHBondContact O-N 3.48Å; R436-D439 PolarHBondContact O-N 3.33Å; D439-S442 WeakPolarHBondContact CA-OG 3.06Å; D439-S442 PolarHBondContact O-OG 2.92Å; D439-L443 PolarHBondContact O-N 2.79Å; D439-L443 VanDerWaalsContact O-N 3.09Å
440T59.4Low64.1Low80 Ų80105.9 Ų105.949%0.49151%0.513SS..Hα-helixtrans-68.1-42.7171.938.40000112R436 K437 I438 S442 L443 E444R436-T440 PolarHBondContact O-N 2.95Å; R436-T440 PolarHBondContact O-OG1 3.36Å; K437-T440 VanDerWaalsContact CA-OG1 3.32Å; K437-T440 WeakPolarHBondContact CA-OG1 3.33Å; K437-T440 PolarHBondContact O-OG1 2.95Å; I438-T440 PolarHBondContact O-N 2.87Å; T440-S442 VanDerWaalsContact C-N 3.34Å; T440-S442 PolarHBondContact O-N 3.48Å; T440-L443 PolarHBondContact O-N 3.47Å; T440-E444 WeakPolarHBondContact O-CG 3.32Å; T440-E444 PolarHBondContact O-N 2.7Å
441C53.2Low62.8Low56 Ų56107.1 Ų107.138%0.37852%0.521SS..Hα-helixtrans-69-31.6179.6-170.50000112.4K437 I438 K445K437-C441 WeakPolarHBondContact O-CB 3.47Å; K437-C441 PolarHBondContact O-N 3.01Å; I438-C441 PolarHBondContact O-N 3.02Å; C441-K445 WeakPolarHBondContact O-CB 3.47Å; C441-K445 WeakPolarHBondContact O-CG 3.21Å; C441-K445 PolarHBondContact O-N 3.37Å
442S53.8Low61.7Low53 Ų53105.4 Ų105.437%0.37152%0.521SS..Hα-helixtrans-74.4-34.8174.665.60000112.3I438 D439 T440 S446I438-S442 WeakPolarHBondContact O-CB 3.29Å; I438-S442 PolarHBondContact O-N 3.1Å; I438-S442 PolarHBondContact O-OG 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.06Å; D439-S442 PolarHBondContact O-OG 2.92Å; T440-S442 VanDerWaalsContact C-N 3.34Å; T440-S442 PolarHBondContact O-N 3.48Å; S442-S446 WeakPolarHBondContact O-CB 3.3Å; S442-S446 PolarHBondContact O-N 3.4Å; S442-S446 PolarHBondContact O-OG 3.25Å
443L50.4Low60.7Low114 Ų114108.8 Ų108.860%0.59754%0.535SS*.Hα-helixtrans-63.4-46.3169.5-116.285.9000111D439 T440 K445 S446 I447D439-L443 PolarHBondContact O-N 2.79Å; D439-L443 VanDerWaalsContact O-N 3.09Å; T440-L443 PolarHBondContact O-N 3.47Å; L443-K445 PolarHBondContact O-N 3.46Å; L443-S446 PolarHBondContact O-N 2.85Å; L443-I447 VanDerWaalsContact O-CG1 3.28Å; L443-I447 WeakPolarHBondContact O-CG1 3.22Å; L443-I447 PolarHBondContact O-N 2.94Å
444E53.7Low59.5Low117 Ų117109.8 Ų109.855%0.54755%0.546SS..Hα-helixtrans-59.4-46.6177.9-75.2168178.700111.2T440 S446 I447 E448T440-E444 WeakPolarHBondContact O-CG 3.32Å; T440-E444 PolarHBondContact O-N 2.7Å; E444-S446 PolarHBondContact O-N 3.29Å; E444-I447 PolarHBondContact O-N 3.14Å; E444-E448 WeakPolarHBondContact O-CG 3.41Å; E444-E448 PolarHBondContact O-N 3.08Å
445K54.8Low58.1Low132 Ų132109.3 Ų109.357%0.57456%0.557SS**Hα-helixtrans-63.7-36.8174.6-75.5-178.5-179.9-173.80113.5C441 L443 E448 T449C441-K445 WeakPolarHBondContact O-CB 3.47Å; C441-K445 WeakPolarHBondContact O-CG 3.21Å; C441-K445 PolarHBondContact O-N 3.37Å; L443-K445 PolarHBondContact O-N 3.46Å; K445-E448 PolarHBondContact O-N 3.09Å; K445-T449 WeakPolarHBondContact O-CB 2.98Å; K445-T449 PolarHBondContact O-N 2.61Å; K445-T449 PolarHBondContact O-OG1 3.09Å
446S52.2Low56.6Low69 Ų69111 Ų11148%0.48358%0.579SS.*Hα-helixtrans-67.3-40.1177.9-56.50000111.1S442 L443 E444 T449 E450S442-S446 WeakPolarHBondContact O-CB 3.3Å; S442-S446 PolarHBondContact O-N 3.4Å; S442-S446 PolarHBondContact O-OG 3.25Å; L443-S446 PolarHBondContact O-N 2.85Å; E444-S446 PolarHBondContact O-N 3.29Å; S446-T449 PolarHBondContact O-N 2.58Å; S446-E450 PolarHBondContact O-N 2.55Å
447I54.1Low55.8Low91 Ų91108.8 Ų108.847%0.46758%0.578SS.*Hα-helixtrans-66-43174.8-66.2164.3000110.3L443 E444 T449 E450 I451L443-I447 VanDerWaalsContact O-CG1 3.28Å; L443-I447 WeakPolarHBondContact O-CG1 3.22Å; L443-I447 PolarHBondContact O-N 2.94Å; E444-I447 PolarHBondContact O-N 3.14Å; I447-T449 VanDerWaalsContact C-N 3.33Å; I447-T449 PolarHBondContact O-N 2.92Å; I447-E450 PolarHBondContact O-N 3.27Å; I447-I451 HydrophobicContact CG2-CD1 3.68Å; I447-I451 HydrophobicContact CG2-CG1 4.42Å; I447-I451 WeakPolarHBondContact O-CB 3.32Å; I447-I451 WeakPolarHBondContact O-CD1 3.41Å; I447-I451 WeakPolarHBondContact O-CG1 3.49Å; I447-I451 PolarHBondContact O-N 3.3Å
448E54.1Low55.1Low127 Ų127106.4 Ų106.459%0.59357%0.574SS**Hα-helixtrans-61-40.9174.5-76.6178.5171.300111.8E444 K445 I451 T452E444-E448 WeakPolarHBondContact O-CG 3.41Å; E444-E448 PolarHBondContact O-N 3.08Å; K445-E448 PolarHBondContact O-N 3.09Å; E448-I451 PolarHBondContact O-N 3.44Å; E448-T452 PolarHBondContact O-N 3.27Å; E448-T452 PolarHBondContact O-OG1 3.45Å
449T56.2Low54.5Low75 Ų75106.1 Ų106.146%0.4657%0.573SS.*Hα-helixtrans-68.8-41.4179.6-40.50000111.6K445 S446 I447 I451 T452 E453K445-T449 WeakPolarHBondContact O-CB 2.98Å; K445-T449 PolarHBondContact O-N 2.61Å; K445-T449 PolarHBondContact O-OG1 3.09Å; S446-T449 PolarHBondContact O-N 2.58Å; I447-T449 VanDerWaalsContact C-N 3.33Å; I447-T449 PolarHBondContact O-N 2.92Å; T449-I451 PolarHBondContact O-N 2.98Å; T449-T452 PolarHBondContact O-N 3.49Å; T449-E453 PolarHBondContact O-N 3.35Å
450E50.4Low54.2Low133 Ų133107.6 Ų107.662%0.62158%0.582SS**Hα-helixtrans-65.5-35.4174.8-80.1-175.4166.500112.6S446 I447 T452 Q454S446-E450 PolarHBondContact O-N 2.55Å; I447-E450 PolarHBondContact O-N 3.27Å; E450-T452 VanDerWaalsContact C-N 3.34Å; E450-Q454 WeakPolarHBondContact O-CG 3.42Å; E450-Q454 PolarHBondContact O-N 3.04Å
451I56.5Low53.8Low104 Ų104109.3 Ų109.353%0.53359%0.587SS.*Hα-helixtrans-69.6-35.2174.5-66.6166.7000110.7I447 E448 T449 C455I447-I451 HydrophobicContact CG2-CD1 3.68Å; I447-I451 HydrophobicContact CG2-CG1 4.42Å; I447-I451 WeakPolarHBondContact O-CB 3.32Å; I447-I451 WeakPolarHBondContact O-CD1 3.41Å; I447-I451 WeakPolarHBondContact O-CG1 3.49Å; I447-I451 PolarHBondContact O-N 3.3Å; E448-I451 PolarHBondContact O-N 3.44Å; T449-I451 PolarHBondContact O-N 2.98Å; I451-C455 PolarHBondContact O-N 3.41Å
452T60.6Low53.9Low90 Ų90112.9 Ų112.955%0.55260%0.601SS**Hα-helixtrans-72.9-38.5179-37.60000111.6E448 T449 E450 Q454 C455 T456E448-T452 PolarHBondContact O-N 3.27Å; E448-T452 PolarHBondContact O-OG1 3.45Å; T449-T452 PolarHBondContact O-N 3.49Å; E450-T452 VanDerWaalsContact C-N 3.34Å; T452-Q454 VanDerWaalsContact C-N 3.34Å; T452-Q454 PolarHBondContact O-N 3.33Å; T452-C455 PolarHBondContact O-N 2.99Å; T452-T456 PolarHBondContact O-N 3.23Å; T452-T456 PolarHBondContact O-OG1 2.9Å
453E56.5Low53.9Low140 Ų140117.1 Ų117.165%0.65462%0.618SS**Hα-helixtrans-73.7-19.5177-74.9-175170.800113.8T449T449-E453 PolarHBondContact O-N 3.35Å
454Q54.6Low54.2Low171 Ų171117.4 Ų117.480%0.79962%0.619SS**THydrogen-bonded Turntrans-88-7.3171.3-73.9-173.62.800113.8E450 T452E450-Q454 WeakPolarHBondContact O-CG 3.42Å; E450-Q454 PolarHBondContact O-N 3.04Å; T452-Q454 VanDerWaalsContact C-N 3.34Å; T452-Q454 PolarHBondContact O-N 3.33Å
455C52.5Low54.2Low112 Ų112117.4 Ų117.476%0.75763%0.625SS**  trans-110.37.8178.5-81.10000114.3I451 T452I451-C455 PolarHBondContact O-N 3.41Å; T452-C455 PolarHBondContact O-N 2.99Å
456T47.7Very low54.1Low165 Ų165116.1 Ų116.1100%1.01263%0.63SS**  trans-119.6016951.40000110.3T452T452-T456 PolarHBondContact O-N 3.23Å; T452-T456 PolarHBondContact O-OG1 2.9Å

Retrieved 456 of 456 residues in 800.2 ms (Link to these results)

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