A0A077YW34_TRITR Loading...

Probable ATP-dependent RNA helicase DDX23

Involved in pre-mRNA splicing and its phosphorylated form (by SRPK2) is required for spliceosomal B complex formation. Independently of its spliceosome formation function, required for the suppression of incorrect R-loops formed during transcription; R-loops are composed of a DNA:RNA hybrid and the associated non-template single-stranded DNA.

AlphaFold DB , UniProt , Accession A0A077YW34, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 606 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.6Low78.8Confident148 Ų148110.5 Ų110.573%0.72957%0.566SS**  0126.20-93.8-162.8-10100109.7Q5 R6 E9M1-Q5 HydrophobicContact CB-CB 4.24Å; M1-Q5 HydrophobicContact CG-CB 4.06Å; M1-Q5 HydrophobicContact SD-CB 4.27Å; M1-R6 HydrophobicContact CB-CG 4.33Å; M1-R6 HydrophobicContact SD-CG 4.35Å; M1-E9 VanDerWaalsContact CE-OE2 3.32Å; M1-E9 WeakPolarHBondContact CE-OE2 3.31Å; M1-E9 VanDerWaalsContact SD-OE2 3.33Å
2T79Confident79.3Confident83 Ų83114.4 Ų114.451%0.50957%0.568SS.*  trans-70.2160.7173.356.50000111A4 Q5 R6T2-A4 PolarHBondContact O-N 3.21Å; T2-Q5 WeakPolarHBondContact O-CB 3.45Å; T2-Q5 PolarHBondContact O-N 3.39Å; T2-Q5 VanDerWaalsContact OG1-CG 3.31Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.45Å; T2-Q5 PolarHBondContact OG1-N 3.47Å; T2-Q5 PolarHBondContact OG1-OE1 3.21Å; T2-R6 PolarHBondContact O-N 3.14Å
3R78.8Confident79.7Confident206 Ų206115.6 Ų115.678%0.77757%0.568SS**Hα-helixtrans-54.6-40.3175.7-171.9178.3174.91732111.7Q5 R6 E7R3-Q5 PolarHBondContact O-N 3.06Å; R3-R6 PolarHBondContact O-N 2.73Å; R3-E7 IonicContact NE-OE1 3.85Å; R3-E7 PolarHBondContact O-N 3.36Å
4A80.2Confident79.8Confident68 Ų68120.9 Ų120.956%0.56258%0.578SS**Hα-helixtrans-61.4-38.9173.700000113.1T2 A8T2-A4 PolarHBondContact O-N 3.21Å; A4-A8 VanDerWaalsContact O-CB 3.29Å; A4-A8 WeakPolarHBondContact O-CB 3.24Å; A4-A8 PolarHBondContact O-N 3.29Å
5Q79.1Confident80.1Confident105 Ų105120.7 Ų120.749%0.49158%0.576SS.*Hα-helixtrans-67.6-39.3175.7-76.8171.8-23.600112.3M1 T2 R3 A8 E9M1-Q5 HydrophobicContact CB-CB 4.24Å; M1-Q5 HydrophobicContact CG-CB 4.06Å; M1-Q5 HydrophobicContact SD-CB 4.27Å; T2-Q5 WeakPolarHBondContact O-CB 3.45Å; T2-Q5 PolarHBondContact O-N 3.39Å; T2-Q5 VanDerWaalsContact OG1-CG 3.31Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.45Å; T2-Q5 PolarHBondContact OG1-N 3.47Å; T2-Q5 PolarHBondContact OG1-OE1 3.21Å; R3-Q5 PolarHBondContact O-N 3.06Å; Q5-A8 PolarHBondContact O-N 2.99Å; Q5-E9 WeakPolarHBondContact O-CB 3.37Å; Q5-E9 PolarHBondContact O-N 3.42Å
6R77.2Confident80.3Confident176 Ų176119 Ų11966%0.66457%0.568SS**Hα-helixtrans-66.5-41.2175.1-76.6-175.3-179.4168.11.1112.4M1 T2 R3 E9 A10M1-R6 HydrophobicContact CB-CG 4.33Å; M1-R6 HydrophobicContact SD-CG 4.35Å; T2-R6 PolarHBondContact O-N 3.14Å; R3-R6 PolarHBondContact O-N 2.73Å; R6-E9 PolarHBondContact O-N 3.36Å; R6-A10 VanDerWaalsContact O-CB 3.27Å; R6-A10 WeakPolarHBondContact O-CB 3.43Å; R6-A10 PolarHBondContact O-N 2.96Å
7E79.5Confident80.4Confident119 Ų119119.3 Ų119.356%0.55657%0.569SS**Hα-helixtrans-65-42.1175.1-82173.7-177.200111.5R3 A10 L11R3-E7 IonicContact NE-OE1 3.85Å; R3-E7 PolarHBondContact O-N 3.36Å; E7-A10 PolarHBondContact O-N 2.85Å; E7-L11 WeakPolarHBondContact O-CB 3.39Å; E7-L11 PolarHBondContact O-N 2.94Å
8A83.5Confident80.5Confident61 Ų61117.8 Ų117.850%0.50457%0.568SS.*Hα-helixtrans-63.4-43.1175.400000112.4A4 Q5 L11 R12A4-A8 VanDerWaalsContact O-CB 3.29Å; A4-A8 WeakPolarHBondContact O-CB 3.24Å; A4-A8 PolarHBondContact O-N 3.29Å; Q5-A8 PolarHBondContact O-N 2.99Å; A8-L11 PolarHBondContact O-N 3.19Å; A8-R12 WeakPolarHBondContact O-CB 3.43Å; A8-R12 PolarHBondContact O-N 2.92Å
9E83.7Confident80.5Confident86 Ų86117.7 Ų117.740%0.40257%0.567SS.*Hα-helixtrans-67.8-39.4177.8-164-176.2-178.400112M1 Q5 R6 R12 K13M1-E9 VanDerWaalsContact CE-OE2 3.32Å; M1-E9 WeakPolarHBondContact CE-OE2 3.31Å; M1-E9 VanDerWaalsContact SD-OE2 3.33Å; Q5-E9 WeakPolarHBondContact O-CB 3.37Å; Q5-E9 PolarHBondContact O-N 3.42Å; R6-E9 PolarHBondContact O-N 3.36Å; E9-R12 PolarHBondContact O-N 2.77Å; E9-K13 PolarHBondContact O-N 2.6Å
10A81.2Confident80.6Confident57 Ų57118.5 Ų118.547%0.47157%0.567SS.*Hα-helixtrans-64.5-39.9173.600000112.1R6 E7 R14R6-A10 VanDerWaalsContact O-CB 3.27Å; R6-A10 WeakPolarHBondContact O-CB 3.43Å; R6-A10 PolarHBondContact O-N 2.96Å; E7-A10 PolarHBondContact O-N 2.85Å; A10-R14 PolarHBondContact O-N 3.32Å
11L83.8Confident80.5Confident106 Ų106119.6 Ų119.656%0.55557%0.57SS**Hα-helixtrans-63.9-42.1174.6-156.395.8000111E7 A8 R14 Q15E7-L11 WeakPolarHBondContact O-CB 3.39Å; E7-L11 PolarHBondContact O-N 2.94Å; A8-L11 PolarHBondContact O-N 3.19Å; L11-R14 PolarHBondContact O-N 3.4Å; L11-Q15 WeakPolarHBondContact O-CG 3.29Å; L11-Q15 PolarHBondContact O-N 3.15Å
12R85.1Confident81.2Confident158 Ų158121.6 Ų121.660%0.59657%0.569SS**Hα-helixtrans-64.6-45.6177.8-133.3-171.887.2-171.56.7112.3A8 E9 R14 Q15 E16A8-R12 WeakPolarHBondContact O-CB 3.43Å; A8-R12 PolarHBondContact O-N 2.92Å; E9-R12 PolarHBondContact O-N 2.77Å; R12-R14 VanDerWaalsContact C-N 3.33Å; R12-R14 PolarHBondContact O-N 3.3Å; R12-Q15 PolarHBondContact O-N 3.28Å; R12-Q15 VanDerWaalsContact O-N 3.16Å; R12-E16 IonicContact CZ-OE1 3.23Å; R12-E16 IonicContact NE-OE1 3Å; R12-E16 PolarHBondContact NE-OE1 3.23Å; R12-E16 IonicContact NH2-OE1 2.7Å; R12-E16 PolarHBondContact NH2-OE1 3.23Å; R12-E16 PolarHBondContact O-N 2.98Å
13K84.1Confident81.2Confident130 Ų130126.1 Ų126.157%0.56558%0.577SS**Hα-helixtrans-60.4-40.6174.7-80.7-174.4177.1178.40112.3E9 E16 E17E9-K13 PolarHBondContact O-N 2.6Å; K13-E16 PolarHBondContact O-N 3.4Å; K13-E17 PolarHBondContact O-N 3.35Å
14R82.2Confident81.1Confident189 Ų189121 Ų12171%0.71356%0.562SS**Hα-helixtrans-62.8-42173.4-93.6-178.5168.3173.7-2.7112.2A10 L11 R12 E17 V18A10-R14 PolarHBondContact O-N 3.32Å; L11-R14 PolarHBondContact O-N 3.4Å; R12-R14 VanDerWaalsContact C-N 3.33Å; R12-R14 PolarHBondContact O-N 3.3Å; R14-E17 PolarHBondContact O-N 2.91Å; R14-V18 WeakPolarHBondContact O-CB 3.32Å; R14-V18 WeakPolarHBondContact O-CG2 3.31Å; R14-V18 PolarHBondContact O-N 3.49Å
15Q83.2Confident80.8Confident118 Ų118123.2 Ų123.255%0.55156%0.563SS**Hα-helixtrans-64.3-44.1176.2-76.5179.2-17.700111.7L11 R12 V18 E19L11-Q15 WeakPolarHBondContact O-CG 3.29Å; L11-Q15 PolarHBondContact O-N 3.15Å; R12-Q15 PolarHBondContact O-N 3.28Å; R12-Q15 VanDerWaalsContact O-N 3.16Å; Q15-V18 PolarHBondContact O-N 2.85Å; Q15-E19 PolarHBondContact O-N 3.34Å
16E84.1Confident80.6Confident94 Ų94120.3 Ų120.344%0.43956%0.557SS.*Hα-helixtrans-62.3-41.6176.2-75.6172.7-170.800111.9R12 K13 E19 K20R12-E16 IonicContact CZ-OE1 3.23Å; R12-E16 IonicContact NE-OE1 3Å; R12-E16 PolarHBondContact NE-OE1 3.23Å; R12-E16 IonicContact NH2-OE1 2.7Å; R12-E16 PolarHBondContact NH2-OE1 3.23Å; R12-E16 PolarHBondContact O-N 2.98Å; K13-E16 PolarHBondContact O-N 3.4Å; E16-E19 PolarHBondContact O-N 3.15Å; E16-K20 WeakPolarHBondContact O-CB 3.38Å; E16-K20 PolarHBondContact O-N 3.41Å
17E81.8Confident80.6Confident124 Ų124118.6 Ų118.658%0.57956%0.557SS**Hα-helixtrans-63.3-42.2173.4-92.6-166.8143.100112.8K13 R14 K20 K21K13-E17 PolarHBondContact O-N 3.35Å; R14-E17 PolarHBondContact O-N 2.91Å; E17-K20 PolarHBondContact O-N 3.29Å; E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 PolarHBondContact O-N 3.36Å
18V81.6Confident80.3Confident93 Ų93118.5 Ų118.556%0.56456%0.56SS**Hα-helixtrans-65.6-41.7178.2168.90000110.6R14 Q15 R22R14-V18 WeakPolarHBondContact O-CB 3.32Å; R14-V18 WeakPolarHBondContact O-CG2 3.31Å; R14-V18 PolarHBondContact O-N 3.49Å; Q15-V18 PolarHBondContact O-N 2.85Å; V18-R22 WeakPolarHBondContact O-CB 3.29Å; V18-R22 PolarHBondContact O-N 3.13Å
19E80.9Confident79.5Confident116 Ų116118.9 Ų118.954%0.54255%0.55SS..Hα-helixtrans-64.6-43.1174.2-99.1-167.614600112.4Q15 E16 R22 R23Q15-E19 PolarHBondContact O-N 3.34Å; E16-E19 PolarHBondContact O-N 3.15Å; E19-R22 WeakPolarHBondContact O-CB 3.15Å; E19-R22 PolarHBondContact O-N 3.28Å; E19-R22 VanDerWaalsContact O-N 3.17Å; E19-R23 PolarHBondContact O-N 3.47Å
20K82.6Confident78.9Confident132 Ų132120.5 Ų120.557%0.57456%0.561SS**Hα-helixtrans-60.5-48.5177.1-170.8-177.3177.6-1700111.2E16 E17 R22 R23 E24E16-K20 WeakPolarHBondContact O-CB 3.38Å; E16-K20 PolarHBondContact O-N 3.41Å; E17-K20 PolarHBondContact O-N 3.29Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 3.4Å; K20-R23 PolarHBondContact O-N 2.86Å; K20-R23 VanDerWaalsContact O-N 3.15Å; K20-E24 VanDerWaalsContact CE-OE1 3.32Å; K20-E24 WeakPolarHBondContact CE-OE1 3.37Å; K20-E24 PolarHBondContact O-N 3.14Å
21K77.8Confident78.5Confident143 Ų143124.6 Ų124.662%0.62257%0.571SS**Hα-helixtrans-59.7-38.3174-79.5-178.1176.6175.20112.1E17 L25E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 PolarHBondContact O-N 3.36Å; K21-L25 VanDerWaalsContact O-CB 3.24Å; K21-L25 WeakPolarHBondContact O-CB 3.39Å; K21-L25 PolarHBondContact O-N 3.43Å
22R76.8Confident77.8Confident190 Ų190126.1 Ų126.172%0.71757%0.569SS**Hα-helixtrans-63.1-42174.9-108.4-177.8167.8-167.6-2.9112.3V18 E19 K20 A26V18-R22 WeakPolarHBondContact O-CB 3.29Å; V18-R22 PolarHBondContact O-N 3.13Å; E19-R22 WeakPolarHBondContact O-CB 3.15Å; E19-R22 PolarHBondContact O-N 3.28Å; E19-R22 VanDerWaalsContact O-N 3.17Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 3.4Å; R22-A26 VanDerWaalsContact O-CB 3.26Å; R22-A26 WeakPolarHBondContact O-CB 3.25Å; R22-A26 PolarHBondContact O-N 2.74Å
23R77.6Confident76.9Confident177 Ų177121.3 Ų121.367%0.66855%0.554SS**Hα-helixtrans-65.8-48.8176.9-76.5-175.5-179.2-177.82.2111.8E19 K20 L25 A26 E27E19-R23 PolarHBondContact O-N 3.47Å; K20-R23 PolarHBondContact O-N 2.86Å; K20-R23 VanDerWaalsContact O-N 3.15Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 3.43Å; R23-A26 WeakPolarHBondContact O-CB 3.48Å; R23-A26 PolarHBondContact O-N 3.41Å; R23-A26 VanDerWaalsContact O-N 3.09Å; R23-E27 PolarHBondContact O-N 3.23Å
24E77.4Confident76.2Confident99 Ų99116.3 Ų116.346%0.46354%0.539SS..Hα-helixtrans-58.5-43.8176.7-73.8173.3179.700111.3K20 A26 E27 L28K20-E24 VanDerWaalsContact CE-OE1 3.32Å; K20-E24 WeakPolarHBondContact CE-OE1 3.37Å; K20-E24 PolarHBondContact O-N 3.14Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.98Å; E24-E27 PolarHBondContact O-N 3.11Å; E24-L28 WeakPolarHBondContact O-CB 3.24Å; E24-L28 PolarHBondContact O-N 3.29Å
25L74.2Confident75.6Confident114 Ų114113.1 Ų113.160%0.59753%0.531SS*.Hα-helixtrans-66.1-34.2176.7-159.684.8000112.4K21 R23 K29K21-L25 VanDerWaalsContact O-CB 3.24Å; K21-L25 WeakPolarHBondContact O-CB 3.39Å; K21-L25 PolarHBondContact O-N 3.43Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 3.43Å; L25-K29 WeakPolarHBondContact O-CB 3.5Å; L25-K29 PolarHBondContact O-N 3.07Å
26A75.4Confident74.9Confident44 Ų44111 Ų11136%0.36452%0.523SS..Hα-helixtrans-71.7-42.1177.600000112.2R22 R23 E24 K29 N30R22-A26 VanDerWaalsContact O-CB 3.26Å; R22-A26 WeakPolarHBondContact O-CB 3.25Å; R22-A26 PolarHBondContact O-N 2.74Å; R23-A26 WeakPolarHBondContact O-CB 3.48Å; R23-A26 PolarHBondContact O-N 3.41Å; R23-A26 VanDerWaalsContact O-N 3.09Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.98Å; A26-K29 WeakPolarHBondContact O-CB 3.36Å; A26-K29 PolarHBondContact O-N 3.04Å; A26-N30 WeakPolarHBondContact O-CB 3.44Å; A26-N30 PolarHBondContact O-N 3.13Å
27E76.2Confident74.2Confident141 Ų141111.1 Ų111.166%0.65952%0.524SS*.Hα-helixtrans-61.5-46.8173.8-77.7-178.816900111.3R23 E24 K29 N30 H31R23-E27 PolarHBondContact O-N 3.23Å; E24-E27 PolarHBondContact O-N 3.11Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.32Å; E27-N30 PolarHBondContact O-N 3.49Å; E27-H31 WeakPolarHBondContact O-CB 3.32Å; E27-H31 PolarHBondContact O-N 3.35Å
28L73Confident73.5Confident117 Ų117110.5 Ų110.561%0.61352%0.521SS*.Hα-helixtrans-65.1-34.9179.9-147.4142.6000111.7E24 R32E24-L28 WeakPolarHBondContact O-CB 3.24Å; E24-L28 PolarHBondContact O-N 3.29Å; L28-R32 PolarHBondContact O-N 3.35Å
29K67.7Low73Confident68 Ų68110 Ų11030%0.29651%0.512SS..Hα-helixtrans-62.5-52.1169.4-105.4-178.9179.4176.10112.6L25 A26 E27 H31 R32 M33 Y74L25-K29 WeakPolarHBondContact O-CB 3.5Å; L25-K29 PolarHBondContact O-N 3.07Å; A26-K29 WeakPolarHBondContact O-CB 3.36Å; A26-K29 PolarHBondContact O-N 3.04Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.32Å; K29-H31 PolarHBondContact O-N 3.23Å; K29-R32 PolarHBondContact O-N 3.13Å; K29-M33 VanDerWaalsContact O-CB 3.25Å; K29-M33 WeakPolarHBondContact O-CB 3.45Å; K29-M33 WeakPolarHBondContact O-CG 3.32Å; K29-M33 PolarHBondContact O-N 3.23Å; K29-Y74 WeakPolarHBondContact CE-O 3.42Å
30N70.9Confident72.6Confident120 Ų120114.4 Ų114.464%0.64252%0.524SS*.Hα-helixtrans-62.1-37.3-178.3-78.8-8.3000110.6A26 E27 G34A26-N30 WeakPolarHBondContact O-CB 3.44Å; A26-N30 PolarHBondContact O-N 3.13Å; E27-N30 PolarHBondContact O-N 3.49Å; N30-G34 PolarHBondContact O-N 2.67Å
31H72.4Confident72.1Confident144 Ų144117 Ų11767%0.66753%0.531SS*.Hα-helixtrans-67.4-42176.1-158.4-49.7000112.6E27 K29 F35E27-H31 WeakPolarHBondContact O-CB 3.32Å; E27-H31 PolarHBondContact O-N 3.35Å; K29-H31 PolarHBondContact O-N 3.23Å; H31-F35 WeakPolarHBondContact O-CB 3.46Å; H31-F35 PolarHBondContact O-N 2.9Å; H31-F35 VanDerWaalsContact O-N 3.16Å
32R68.4Low71.7Confident137 Ų137115.8 Ų115.852%0.51753%0.531SS..Hα-helixtrans-68.7-41.5174.4-99.7-174174.3-165.2-1.2112.6L28 K29 F35 L36L28-R32 PolarHBondContact O-N 3.35Å; K29-R32 PolarHBondContact O-N 3.13Å; R32-F35 PolarHBondContact O-N 3.16Å; R32-L36 PolarHBondContact O-N 3.45Å
33M67.3Low70.8Confident57 Ų57109.7 Ų109.728%0.28153%0.527SS..Hα-helixtrans-60.4-51.5176-90.3-65.7-64.100111.1K29 F35 L36 E37 Y74K29-M33 VanDerWaalsContact O-CB 3.25Å; K29-M33 WeakPolarHBondContact O-CB 3.45Å; K29-M33 WeakPolarHBondContact O-CG 3.32Å; K29-M33 PolarHBondContact O-N 3.23Å; M33-F35 PolarHBondContact O-N 3.4Å; M33-L36 PolarHBondContact O-N 3.14Å; M33-L36 VanDerWaalsContact O-N 3.16Å; M33-E37 HydrophobicContact CE-CG 4.27Å; M33-E37 WeakPolarHBondContact CE-OE1 3.45Å; M33-E37 WeakPolarHBondContact O-CB 3.14Å; M33-E37 WeakPolarHBondContact O-CG 3.43Å; M33-E37 PolarHBondContact O-N 2.98Å; M33-Y74 HydrophobicContact CG-CD2 3.98Å; M33-Y74 HydrophobicContact CG-CE2 3.85Å; M33-Y74 HydrophobicContact SD-CD2 3.81Å; M33-Y74 HydrophobicContact SD-CE2 3.05Å; M33-Y74 WeakPolarHBondContact SD-CE2 3.44Å
34G69.2Low69.9Low25 Ų25106.4 Ų106.426%0.25852%0.522SS..Hα-helixtrans-58.8-36.9177.900000112.3N30 Q38N30-G34 PolarHBondContact O-N 2.67Å; G34-Q38 VanDerWaalsContact O-CB 3.25Å; G34-Q38 WeakPolarHBondContact O-CB 3.42Å; G34-Q38 WeakPolarHBondContact O-CG 3.49Å; G34-Q38 PolarHBondContact O-N 3.02Å
35F69.3Low68.7Low122 Ų122110.3 Ų110.354%0.53554%0.541SS..Hα-helixtrans-67.6-43176.2-156.8-86.3000112.7H31 R32 M33 Q38 E39H31-F35 WeakPolarHBondContact O-CB 3.46Å; H31-F35 PolarHBondContact O-N 2.9Å; H31-F35 VanDerWaalsContact O-N 3.16Å; R32-F35 PolarHBondContact O-N 3.16Å; M33-F35 PolarHBondContact O-N 3.4Å; F35-Q38 PolarHBondContact O-N 3.18Å; F35-E39 HydrophobicContact CE1-CG 4.39Å; F35-E39 PolarHBondContact O-N 3.31Å
36L68.4Low67.7Low73 Ų73112.8 Ų112.838%0.38255%0.549SS..Hα-helixtrans-70.4-37.4177.8-78.4165.1000112.7R32 M33 E39 R40 Y74R32-L36 PolarHBondContact O-N 3.45Å; M33-L36 PolarHBondContact O-N 3.14Å; M33-L36 VanDerWaalsContact O-N 3.16Å; L36-E39 PolarHBondContact O-N 3.4Å; L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 3.12Å; L36-Y74 HydrophobicContact CD1-CD1 3.42Å; L36-Y74 VanDerWaalsContact CD1-CD1 3.42Å; L36-Y74 HydrophobicContact CD1-CE1 3.17Å; L36-Y74 HydrophobicContact CD1-CG 4.29Å
37E68.8Low66.7Low98 Ų98120 Ų12046%0.45857%0.572SS.*Hα-helixtrans-63.9-46171.8-75.7176.7165.500110.3M33 E39 R40 Y41M33-E37 HydrophobicContact CE-CG 4.27Å; M33-E37 WeakPolarHBondContact CE-OE1 3.45Å; M33-E37 WeakPolarHBondContact O-CB 3.14Å; M33-E37 WeakPolarHBondContact O-CG 3.43Å; M33-E37 PolarHBondContact O-N 2.98Å; E37-E39 PolarHBondContact O-N 3.18Å; E37-R40 PolarHBondContact O-N 3.28Å; E37-R40 VanDerWaalsContact O-N 3.15Å; E37-Y41 HydrophobicContact CB-CD2 4.32Å; E37-Y41 HydrophobicContact CB-CE2 4.48Å; E37-Y41 WeakPolarHBondContact O-CD2 3.32Å; E37-Y41 PolarHBondContact O-N 3Å
38Q68.4Low65.3Low111 Ų111122.4 Ų122.452%0.51958%0.58SS.*Hα-helixtrans-56.3-48174-82.5175.5-2.800112.1G34 F35 R40 Y41 L42G34-Q38 VanDerWaalsContact O-CB 3.25Å; G34-Q38 WeakPolarHBondContact O-CB 3.42Å; G34-Q38 WeakPolarHBondContact O-CG 3.49Å; G34-Q38 PolarHBondContact O-N 3.02Å; F35-Q38 PolarHBondContact O-N 3.18Å; Q38-R40 VanDerWaalsContact C-N 3.29Å; Q38-R40 PolarHBondContact O-N 3.17Å; Q38-Y41 PolarHBondContact O-N 3.44Å; Q38-L42 HydrophobicContact CB-CD1 3.97Å; Q38-L42 HydrophobicContact CG-CD1 4.1Å; Q38-L42 VanDerWaalsContact O-CB 3.22Å; Q38-L42 WeakPolarHBondContact O-CB 3.45Å; Q38-L42 PolarHBondContact O-N 3.37Å
39E69.5Low64.3Low82 Ų82125 Ų12538%0.38359%0.587SS.*Hα-helixtrans-59.7-38.2176.6-86.8-164.8146.700112.8F35 L36 E37F35-E39 HydrophobicContact CE1-CG 4.39Å; F35-E39 PolarHBondContact O-N 3.31Å; L36-E39 PolarHBondContact O-N 3.4Å; E37-E39 PolarHBondContact O-N 3.18Å
40R73.6Confident63.4Low208 Ų208131.5 Ų131.579%0.78562%0.615SS**Hα-helixtrans-73.1-40.9-178.6-167.7179.1-177.1179.80.8113L36 E37 Q38L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 3.12Å; E37-R40 PolarHBondContact O-N 3.28Å; E37-R40 VanDerWaalsContact O-N 3.15Å; Q38-R40 VanDerWaalsContact C-N 3.29Å; Q38-R40 PolarHBondContact O-N 3.17Å
41Y72.1Confident62.2Low186 Ų186134.5 Ų134.573%0.72962%0.617SS**Hα-helixtrans-89.4-30.8-174.2-73.4-74.8000113.8E37 Q38 G43E37-Y41 HydrophobicContact CB-CD2 4.32Å; E37-Y41 HydrophobicContact CB-CE2 4.48Å; E37-Y41 WeakPolarHBondContact O-CD2 3.32Å; E37-Y41 PolarHBondContact O-N 3Å; Q38-Y41 PolarHBondContact O-N 3.44Å; Y41-G43 VanDerWaalsContact C-N 3.25Å; Y41-G43 PolarHBondContact O-N 3.46Å
42L69.3Low61.1Low119 Ų119131.9 Ų131.962%0.62362%0.616SS**SBendtrans-81.8-0.6-179.4-73.5156.8000113.5Q38 L44Q38-L42 HydrophobicContact CB-CD1 3.97Å; Q38-L42 HydrophobicContact CG-CD1 4.1Å; Q38-L42 VanDerWaalsContact O-CB 3.22Å; Q38-L42 WeakPolarHBondContact O-CB 3.45Å; Q38-L42 PolarHBondContact O-N 3.37Å; L42-L44 HydrophobicContact CB-CD1 4.14Å; L42-L44 HydrophobicContact CB-CG 4.16Å; L42-L44 HydrophobicContact CD1-CD1 4.48Å; L42-L44 PolarHBondContact O-N 3.1Å
43G58.4Low59.8Low62 Ų62134 Ų13464%0.63962%0.623SS**  trans58.119.5179.700000113.4Y41 Q45Y41-G43 VanDerWaalsContact C-N 3.25Å; Y41-G43 PolarHBondContact O-N 3.46Å; G43-Q45 PolarHBondContact O-N 3.27Å
44L57.6Low59Low107 Ų107141.5 Ų141.556%0.5665%0.649SS**  trans-56.4111.5173.3-77.6161.6000105.9L42 Q46L42-L44 HydrophobicContact CB-CD1 4.14Å; L42-L44 HydrophobicContact CB-CG 4.16Å; L42-L44 HydrophobicContact CD1-CD1 4.48Å; L42-L44 PolarHBondContact O-N 3.1Å; L44-Q46 PolarHBondContact O-N 3.37Å
45Q52.2Low58.1Low182 Ų182148.1 Ų148.185%0.8568%0.677SS**  trans-45.7117.3178.2-74-175.9-5.100107G43 K47G43-Q45 PolarHBondContact O-N 3.27Å; Q45-K47 PolarHBondContact O-N 3.26Å
46Q54Low57.3Low166 Ų166146.5 Ų146.578%0.77667%0.671SS**  trans-42.7113.8172-83.6-173.7-11.700105.3L44 K48L44-Q46 PolarHBondContact O-N 3.37Å; Q46-K48 PolarHBondContact O-N 2.97Å
47K53.2Low56.8Low195 Ų195151.5 Ų151.585%0.84869%0.693SS**  trans-59.397.2169.2-81.8-178178.8172.90102.7Q45 K49Q45-K47 PolarHBondContact O-N 3.26Å; K47-K49 VanDerWaalsContact C-N 3.32Å; K47-K49 PolarHBondContact O-N 3.43Å
48K48.3Very low56.8Low191 Ų191158.4 Ų158.483%0.8372%0.715SS**  trans-46.8110.2174.2-78.4-177.8177.1175.60102.5Q46 K50Q46-K48 PolarHBondContact O-N 2.97Å; K48-K50 VanDerWaalsContact C-N 3.34Å; K48-K50 PolarHBondContact O-N 3.19Å
49K51.3Low56.9Low171 Ų171160 Ų16074%0.74372%0.72SS**  trans-42114.2174-98.9-173176-177.60102.2K47 R51 G67K47-K49 VanDerWaalsContact C-N 3.32Å; K47-K49 PolarHBondContact O-N 3.43Å; K49-R51 PolarHBondContact O-N 3.12Å; K49-G67 PolarHBondContact NZ-O 2.97Å; K49-G67 VanDerWaalsContact NZ-O 3.16Å
50K47.9Very low57.4Low205 Ų205164.7 Ų164.789%0.89174%0.739SS**  trans-51.9106.7-175.6-88.9-178.8175.7177.60102.4K48 S52K48-K50 VanDerWaalsContact C-N 3.34Å; K48-K50 PolarHBondContact O-N 3.19Å; K50-S52 PolarHBondContact O-N 2.76Å
51R46.5Very low57.5Low183 Ų183159.6 Ų159.669%0.69173%0.726SS**  trans-48.2124165.7-84.3-174168-170.53.6101.3K49 R53K49-R51 PolarHBondContact O-N 3.12Å; R51-R53 HydrophobicContact CB-CB 4.48Å; R51-R53 HydrophobicContact CB-CG 3.65Å; R51-R53 WeakPolarHBondContact O-CA 3.41Å; R51-R53 VanDerWaalsContact O-CB 3.32Å; R51-R53 WeakPolarHBondContact O-CB 3.45Å; R51-R53 PolarHBondContact O-N 3.44Å
52S49.2Very low58Low90 Ų90159.6 Ų159.663%0.62973%0.731SS**  trans-61.774.6177.4-177.80000107K50 R54 H56K50-S52 PolarHBondContact O-N 2.76Å; S52-R54 PolarHBondContact O-N 2.95Å; S52-H56 PolarHBondContact OG-ND1 3.09Å
53R42Very low58.7Low180 Ų180160.4 Ų160.468%0.67974%0.736SS**  trans-97.791.1-169.2-93.7174.1170176.3-1.8102.6R51R51-R53 HydrophobicContact CB-CB 4.48Å; R51-R53 HydrophobicContact CB-CG 3.65Å; R51-R53 WeakPolarHBondContact O-CA 3.41Å; R51-R53 VanDerWaalsContact O-CB 3.32Å; R51-R53 WeakPolarHBondContact O-CB 3.45Å; R51-R53 PolarHBondContact O-N 3.44Å
54R50Low59.8Low215 Ų215168 Ų16881%0.81175%0.745SS**SBendtrans150-17.9136.3-77.6163.3-176.3-1631.6114.6S52S52-R54 PolarHBondContact O-N 2.95Å
55L49.6Very low61Low165 Ų165168.2 Ų168.286%0.86475%0.747SS**SBendtrans-81.5-21177-118.9101.4000114
56H53.5Low62.5Low88 Ų88163.6 Ų163.641%0.40774%0.739SS.*SBendtrans-101.2-3.7-171.5-72.591.9000115.3S52 R58 K59 I61S52-H56 PolarHBondContact OG-ND1 3.09Å; H56-R58 PolarHBondContact O-N 2.87Å; H56-K59 PolarHBondContact O-N 3.35Å; H56-K59 VanDerWaalsContact O-N 3.11Å; H56-I61 WeakPolarHBondContact CD2-CD1 3.17Å
57E56.6Low63.8Low178 Ų178157.6 Ų157.683%0.83272%0.723SS**THydrogen-bonded Turntrans-61.9-13.7-176.6-109173-170.700114.3
58R69.6Low65.1Low242 Ų242154 Ų15491%0.91371%0.709SS**THydrogen-bonded Turntrans-108.4-12.4178.7-66.1178.9174.7178.2-2.9114.4H56H56-R58 PolarHBondContact O-N 2.87Å
59K71.3Confident66.9Low146 Ų146148.5 Ų148.564%0.63569%0.688SS**  trans-106.9114.7-173.3-170.9176.1-178.3-1780109.6H56 I61H56-K59 PolarHBondContact O-N 3.35Å; H56-K59 VanDerWaalsContact O-N 3.11Å; K59-I61 HydrophobicContact CG-CG1 4.37Å; K59-I61 PolarHBondContact O-N 3.47Å
60F78.6Confident68.6Low179 Ų179146.7 Ų146.779%0.78569%0.692SS**  trans-71.6106169.3-63.2-76000108.8F62F60-F62 HydrophobicContact CB-CE2 4.09Å; F60-F62 HydrophobicContact CB-CZ 4.23Å
61I77.2Confident70.3Confident101 Ų101140.4 Ų140.452%0.51867%0.674SS.*  trans-94119.8169.5-56.4176.9000106.2H56 K59 D63H56-I61 WeakPolarHBondContact CD2-CD1 3.17Å; K59-I61 HydrophobicContact CG-CG1 4.37Å; K59-I61 PolarHBondContact O-N 3.47Å; I61-D63 WeakPolarHBondContact CG2-O 3.39Å
62F82.5Confident71.9Confident186 Ų186137.1 Ų137.182%0.81667%0.67SS**  trans-85.8-22.1-178.5-68.5-85.3000112.7F60F60-F62 HydrophobicContact CB-CE2 4.09Å; F60-F62 HydrophobicContact CB-CZ 4.23Å
63D83Confident73.5Confident136 Ų136135.2 Ų135.273%0.72765%0.653SS**SBendtrans-97.2145.7177.2-62.6-42.2000111.5I61I61-D63 WeakPolarHBondContact CG2-O 3.39Å
64W82.4Confident75.2Confident223 Ų223130.4 Ų130.485%0.84564%0.635SS**PPolyproline II helixtrans-73136170-60106.5000109.9A66 E68W64-A66 PolarHBondContact O-N 2.73Å; W64-E68 VanDerWaalsContact CE3-OE2 3.23Å
65D81.4Confident76.6Confident111 Ų111122.2 Ų122.259%0.59461%0.607SS**PPolyproline II helixtrans-66.9133.9173179.69.1000109.4G67 E68D65-G67 PolarHBondContact O-N 2.75Å; D65-G67 PolarHBondContact OD1-N 2.77Å; D65-G67 VanDerWaalsContact OD1-N 3.1Å; D65-E68 HydrophobicContact CB-CG 4.26Å; D65-E68 WeakPolarHBondContact O-CB 3.38Å; D65-E68 PolarHBondContact O-N 3.14Å
66A83.5Confident78.2Confident84 Ų84116.8 Ų116.869%0.69458%0.582SS**G310 helixtrans-56.8-24.4175.200000112.1W64 E68 D69W64-A66 PolarHBondContact O-N 2.73Å; A66-E68 PolarHBondContact O-N 3.41Å; A66-D69 WeakPolarHBondContact O-CB 3.33Å; A66-D69 PolarHBondContact O-N 2.76Å
67G82Confident79.7Confident41 Ų41118.9 Ų118.942%0.42360%0.595SS.*G310 helixtrans-68.6-12.1173.100000115.8K49 D65K49-G67 PolarHBondContact NZ-O 2.97Å; K49-G67 VanDerWaalsContact NZ-O 3.16Å; D65-G67 PolarHBondContact O-N 2.75Å; D65-G67 PolarHBondContact OD1-N 2.77Å; D65-G67 VanDerWaalsContact OD1-N 3.1Å
68E81.6Confident81Confident120 Ų120116.6 Ų116.656%0.56158%0.58SS**G310 helixtrans-87.6-6.1173.8-62.3-167.3162.900113.4W64 D65 A66 T70W64-E68 VanDerWaalsContact CE3-OE2 3.23Å; D65-E68 HydrophobicContact CB-CG 4.26Å; D65-E68 WeakPolarHBondContact O-CB 3.38Å; D65-E68 PolarHBondContact O-N 3.14Å; A66-E68 PolarHBondContact O-N 3.41Å; E68-T70 PolarHBondContact O-N 3.21Å
69D85.2Confident81.8Confident74 Ų74112.4 Ų112.440%0.39657%0.569SS.*  trans-63.3134.1175.8-178.718.5000112A66 S71 N72A66-D69 WeakPolarHBondContact O-CB 3.33Å; A66-D69 PolarHBondContact O-N 2.76Å; D69-S71 WeakPolarHBondContact OD1-CB 3.26Å; D69-S71 PolarHBondContact OD1-N 3.08Å; D69-S71 PolarHBondContact OD1-OG 3.1Å; D69-S71 PolarHBondContact OD2-OG 2.74Å; D69-N72 PolarHBondContact OD2-ND2 3.22Å
70T86.3Confident82.4Confident133 Ų133113.1 Ų113.182%0.81657%0.574SS**  trans-103.2-11.4-176.655.20000113.1E68 N72E68-T70 PolarHBondContact O-N 3.21Å; T70-N72 VanDerWaalsContact C-N 3.28Å; T70-N72 PolarHBondContact O-N 3.27Å
71S84Confident82.7Confident73 Ų73110.7 Ų110.751%0.5156%0.563SS.*  trans-86.99.9-171.867.60000114.7D69 D73D69-S71 WeakPolarHBondContact OD1-CB 3.26Å; D69-S71 PolarHBondContact OD1-N 3.08Å; D69-S71 PolarHBondContact OD1-OG 3.1Å; D69-S71 PolarHBondContact OD2-OG 2.74Å; S71-D73 PolarHBondContact O-N 2.94Å
72N81.1Confident83.2Confident114 Ų114113.1 Ų113.161%0.6157%0.572SS**  trans-76.956.2-179.1-77-53.4000113.5D69 T70D69-N72 PolarHBondContact OD2-ND2 3.22Å; T70-N72 VanDerWaalsContact C-N 3.28Å; T70-N72 PolarHBondContact O-N 3.27Å
73D82.1Confident83.3Confident50 Ų50111.8 Ų111.827%0.26757%0.568SS.*  trans-74.9134.6-176.5-78.3-52.1000113S71 Y78S71-D73 PolarHBondContact O-N 2.94Å; D73-Y78 WeakPolarHBondContact OD2-CB 3.49Å
74Y78Confident83.5Confident80 Ų80110 Ų11031%0.31456%0.562SS.*SBendtrans-81.4-23.3173.761.2-89.8000112.5K29 M33 L36K29-Y74 WeakPolarHBondContact CE-O 3.42Å; M33-Y74 HydrophobicContact CG-CD2 3.98Å; M33-Y74 HydrophobicContact CG-CE2 3.85Å; M33-Y74 HydrophobicContact SD-CD2 3.81Å; M33-Y74 HydrophobicContact SD-CE2 3.05Å; M33-Y74 WeakPolarHBondContact SD-CE2 3.44Å; L36-Y74 HydrophobicContact CD1-CD1 3.42Å; L36-Y74 VanDerWaalsContact CD1-CD1 3.42Å; L36-Y74 HydrophobicContact CD1-CE1 3.17Å; L36-Y74 HydrophobicContact CD1-CG 4.29Å
75N79.4Confident83.7Confident43 Ų43100.8 Ų100.823%0.2353%0.528CS..SBendtrans-86.6123.9-177.4-176-15.5000109.4L77 Y78 K79N75-L77 PolarHBondContact O-N 2.85Å; N75-L77 WeakPolarHBondContact OD1-CB 3.42Å; N75-L77 WeakPolarHBondContact OD1-CG 3.28Å; N75-L77 PolarHBondContact OD1-N 3.17Å; N75-Y78 HydrophobicContact CB-CD2 3.75Å; N75-Y78 HydrophobicContact CB-CE2 4.45Å; N75-Y78 PolarHBondContact O-N 3.43Å; N75-K79 PolarHBondContact O-N 3.05Å
76P82.7Confident84Confident51 Ų51100.2 Ų100.233%0.33152%0.521SS..Hα-helixtrans-60.7-29.6-177.726.9-39000111.9Y78 K79 E80P76-Y78 PolarHBondContact O-N 3.43Å; P76-K79 PolarHBondContact O-N 3.46Å; P76-E80 PolarHBondContact O-N 3.19Å
77L85.1Confident84.2Confident131 Ų131103.9 Ų103.969%0.68652%0.521SS*.Hα-helixtrans-61.7-27.7176.1-61.8176.1000112.4N75N75-L77 PolarHBondContact O-N 2.85Å; N75-L77 WeakPolarHBondContact OD1-CB 3.42Å; N75-L77 WeakPolarHBondContact OD1-CG 3.28Å; N75-L77 PolarHBondContact OD1-N 3.17Å
78Y85Confident84.2Confident130 Ų130103 Ų10351%0.5151%0.512SS..Hα-helixtrans-101.3-25.4179.8-64.3-94.6000112.6D73 N75 P76 K81D73-Y78 WeakPolarHBondContact OD2-CB 3.49Å; N75-Y78 HydrophobicContact CB-CD2 3.75Å; N75-Y78 HydrophobicContact CB-CE2 4.45Å; N75-Y78 PolarHBondContact O-N 3.43Å; P76-Y78 PolarHBondContact O-N 3.43Å; Y78-K81 VanDerWaalsContact O-CE 3.23Å; Y78-K81 WeakPolarHBondContact O-CE 3.45Å; Y78-K81 WeakPolarHBondContact O-CG 3.23Å
79K84.7Confident84.4Confident155 Ų155105.5 Ų105.567%0.67452%0.516SS*.Hα-helixtrans-73.7-41.9172.8-169178.4179.5-178.40112.3N75 P76N75-K79 PolarHBondContact O-N 3.05Å; P76-K79 PolarHBondContact O-N 3.46Å
80E84.4Confident84.5Confident160 Ų160103.3 Ų103.375%0.74851%0.512SS*.THydrogen-bonded Turntrans-11362.3176.8-67.7175-168.800109.1P76 H82P76-E80 PolarHBondContact O-N 3.19Å; E80-H82 PolarHBondContact O-N 3Å
81K85.3Confident84.6Confident129 Ų12999.8 Ų99.856%0.56149%0.486SS*.  trans-58.7128.8177-77.9166.7-174.1161.60109.3Y78 E83Y78-K81 VanDerWaalsContact O-CE 3.23Å; Y78-K81 WeakPolarHBondContact O-CE 3.45Å; Y78-K81 WeakPolarHBondContact O-CG 3.23Å; K81-E83 PolarHBondContact O-N 3.24Å
82H87.6Confident85Confident152 Ų15299.7 Ų99.770%0.70448%0.482SS*.  trans-61.5111.8174-175.173000109.6E80 Q85E80-H82 PolarHBondContact O-N 3Å; H82-Q85 PolarHBondContact CE1-NE2 2.98Å; H82-Q85 VanDerWaalsContact CE1-NE2 3.33Å
83E85.5Confident85.5Confident158 Ų15898.9 Ų98.974%0.73849%0.491SS*.  trans-65.1137177.7-67.2-172.6164.400110.7K81 Q85K81-E83 PolarHBondContact O-N 3.24Å; E83-Q85 PolarHBondContact O-N 2.91Å
84V87.2Confident85.9Confident99 Ų99100.9 Ų100.960%0.652%0.523SS*.  trans-66118.9-178.1-175.10000109.2F86V84-F86 VanDerWaalsContact C-N 3.33Å; V84-F86 HydrophobicContact CB-CD2 4.49Å; V84-F86 HydrophobicContact CB-CE1 4.33Å; V84-F86 HydrophobicContact CB-CE2 4.12Å; V84-F86 HydrophobicContact CB-CZ 4.04Å; V84-F86 HydrophobicContact CG1-CD1 3.76Å; V84-F86 HydrophobicContact CG1-CD2 4.24Å; V84-F86 HydrophobicContact CG1-CE1 3.68Å; V84-F86 HydrophobicContact CG1-CE2 4.18Å; V84-F86 HydrophobicContact CG1-CG 4.04Å; V84-F86 HydrophobicContact CG1-CZ 3.9Å; V84-F86 WeakPolarHBondContact O-CD2 3.49Å; V84-F86 PolarHBondContact O-N 2.72Å
85Q84.9Confident86.4Confident28 Ų28101.4 Ų101.413%0.13153%0.531CS..  trans-85.9-0.1-176.2-64.5-175.48.900114.3H82 E83 F87 G88 S105 Y108H82-Q85 PolarHBondContact CE1-NE2 2.98Å; H82-Q85 VanDerWaalsContact CE1-NE2 3.33Å; E83-Q85 PolarHBondContact O-N 2.91Å; Q85-F87 VanDerWaalsContact C-N 3.28Å; Q85-F87 PolarHBondContact O-N 3.21Å; Q85-G88 WeakPolarHBondContact O-CA 3.26Å; Q85-G88 PolarHBondContact O-N 2.91Å; Q85-S105 PolarHBondContact NE2-OG 3.43Å; Q85-Y108 HydrophobicContact CB-CD2 4.06Å; Q85-Y108 HydrophobicContact CB-CE2 3.68Å
86F88.9Confident86.8Confident100 Ų100104 Ų10444%0.43955%0.545SS..G310 helixtrans37.651.5178.7-58.2-72.9000114.5V84 G88 R89 G90 V92V84-F86 VanDerWaalsContact C-N 3.33Å; V84-F86 HydrophobicContact CB-CD2 4.49Å; V84-F86 HydrophobicContact CB-CE1 4.33Å; V84-F86 HydrophobicContact CB-CE2 4.12Å; V84-F86 HydrophobicContact CB-CZ 4.04Å; V84-F86 HydrophobicContact CG1-CD1 3.76Å; V84-F86 HydrophobicContact CG1-CD2 4.24Å; V84-F86 HydrophobicContact CG1-CE1 3.68Å; V84-F86 HydrophobicContact CG1-CE2 4.18Å; V84-F86 HydrophobicContact CG1-CG 4.04Å; V84-F86 HydrophobicContact CG1-CZ 3.9Å; V84-F86 WeakPolarHBondContact O-CD2 3.49Å; V84-F86 PolarHBondContact O-N 2.72Å; F86-G88 PolarHBondContact O-N 3.03Å; F86-G88 VanDerWaalsContact O-N 3.08Å; F86-R89 PolarHBondContact O-N 3.32Å; F86-G90 VanDerWaalsContact CB-CA 3.46Å; F86-G90 PolarHBondContact O-N 3.4Å; F86-V92 HydrophobicContact CE2-CG2 4.36Å
87F87.3Confident86.9Confident160 Ų160106.3 Ų106.370%0.70255%0.554SS**G310 helixtrans55.822.7-178.2-54.7-80.8000115.4Q85 R89Q85-F87 VanDerWaalsContact C-N 3.28Å; Q85-F87 PolarHBondContact O-N 3.21Å; F87-R89 PolarHBondContact O-N 2.97Å
88G82.3Confident86.8Confident22 Ų22105.3 Ų105.323%0.22754%0.541CS..G310 helixtrans71.28.1-176.100000114.4Q85 F86Q85-G88 WeakPolarHBondContact O-CA 3.26Å; Q85-G88 PolarHBondContact O-N 2.91Å; F86-G88 PolarHBondContact O-N 3.03Å; F86-G88 VanDerWaalsContact O-N 3.08Å
89R85Confident86.9Confident173 Ų173102.4 Ų102.465%0.65354%0.539SS*.THydrogen-bonded Turntrans-124.6-30.8-173.6-63.8-177.4-177.2-174.91.3113.2F86 F87 H91F86-R89 PolarHBondContact O-N 3.32Å; F87-R89 PolarHBondContact O-N 2.97Å; R89-H91 PolarHBondContact O-CE1 3.29Å; R89-H91 PolarHBondContact O-ND1 3.23Å
90G87.6Confident87.1Confident29 Ų2996 Ų9630%0.29951%0.512SS..  trans-83153.3171.600000111.9F86F86-G90 VanDerWaalsContact CB-CA 3.46Å; F86-G90 PolarHBondContact O-N 3.4Å
91H89.3Confident87.1Confident59 Ų5994 Ų9427%0.27350%0.5SS..  trans-131.9151.4-178.4-60.575.8000109R89 L97 K101R89-H91 PolarHBondContact O-CE1 3.29Å; R89-H91 PolarHBondContact O-ND1 3.23Å; H91-L97 HydrophobicContact CB-CD2 3.49Å; H91-L97 VanDerWaalsContact CB-CD2 3.49Å; H91-L97 VanDerWaalsContact CG-CD2 3.46Å; H91-K101 WeakPolarHBondContact NE2-CE 3.41Å
92V91Very high87.1Confident71 Ų7196.9 Ų96.943%0.4351%0.513SS..  trans-68.1135.8174.5-1780000109F86 I95 Q100F86-V92 HydrophobicContact CE2-CG2 4.36Å; V92-I95 HydrophobicContact CB-CD1 4.1Å; V92-I95 HydrophobicContact CG1-CD1 3.83Å; V92-I95 HydrophobicContact CG1-CG1 4.43Å; V92-Q100 PolarHBondContact O-NE2 3.16Å
93A91.9Very high86.9Confident96 Ų9694 Ų9479%0.79351%0.51SS*.THydrogen-bonded Turntrans-67.4144.6179.900000111.8I95A93-I95 VanDerWaalsContact C-N 3.28Å; A93-I95 PolarHBondContact O-N 2.93Å
94G90.1Very high86.7Confident92 Ų9289.1 Ų89.195%0.94849%0.488SS*.THydrogen-bonded Turntrans81.7-10.7173.900000116.3
95I89.1Confident86.3Confident91 Ų9187.5 Ų87.547%0.46748%0.481SS..SBendtrans-99.3140177.7-52.7174.2000109.4V92 A93 L97 Q100V92-I95 HydrophobicContact CB-CD1 4.1Å; V92-I95 HydrophobicContact CG1-CD1 3.83Å; V92-I95 HydrophobicContact CG1-CG1 4.43Å; A93-I95 VanDerWaalsContact C-N 3.28Å; A93-I95 PolarHBondContact O-N 2.93Å; I95-L97 PolarHBondContact O-N 3.24Å; I95-Q100 HydrophobicContact CB-CG 3.97Å; I95-Q100 HydrophobicContact CG2-CG 3.62Å; I95-Q100 PolarHBondContact O-NE2 3.08Å
96D87.9Confident86.3Confident99 Ų9993.2 Ų93.253%0.52951%0.507SS..  trans-53.2124.7176.9179.8-84.1000111.9R98 S99 Q100D96-R98 VanDerWaalsContact C-N 3.27Å; D96-R98 PolarHBondContact O-N 3.03Å; D96-R98 WeakPolarHBondContact OD1-CA 3.37Å; D96-R98 VanDerWaalsContact OD1-CB 3.24Å; D96-R98 WeakPolarHBondContact OD1-CB 3.48Å; D96-R98 PolarHBondContact OD1-N 3.13Å; D96-S99 WeakPolarHBondContact O-CB 3.26Å; D96-S99 PolarHBondContact O-N 2.77Å; D96-S99 PolarHBondContact OD1-N 3.42Å; D96-Q100 WeakPolarHBondContact O-CG 2.94Å; D96-Q100 PolarHBondContact O-N 3.1Å
97L85.7Confident86.2Confident98 Ų9893.8 Ų93.851%0.51351%0.51SS..Hα-helixtrans-62.9-32.2-174.5-66.4170.8000112.7H91 I95 K101H91-L97 HydrophobicContact CB-CD2 3.49Å; H91-L97 VanDerWaalsContact CB-CD2 3.49Å; H91-L97 VanDerWaalsContact CG-CD2 3.46Å; I95-L97 PolarHBondContact O-N 3.24Å; L97-K101 WeakPolarHBondContact O-CB 3.42Å; L97-K101 WeakPolarHBondContact O-CG 3.33Å; L97-K101 PolarHBondContact O-N 3.04Å
98R82.5Confident86.2Confident111 Ų11188.9 Ų88.942%0.41949%0.487SS..Hα-helixtrans-73.6-40.5178.6-63177169.41690.2110.4D96 Q100 K101 K102D96-R98 VanDerWaalsContact C-N 3.27Å; D96-R98 PolarHBondContact O-N 3.03Å; D96-R98 WeakPolarHBondContact OD1-CA 3.37Å; D96-R98 VanDerWaalsContact OD1-CB 3.24Å; D96-R98 WeakPolarHBondContact OD1-CB 3.48Å; D96-R98 PolarHBondContact OD1-N 3.13Å; R98-Q100 VanDerWaalsContact C-N 3.33Å; R98-K101 PolarHBondContact O-N 3.43Å; R98-K102 WeakPolarHBondContact O-CG 3.48Å; R98-K102 PolarHBondContact O-N 3.01Å; R98-K102 VanDerWaalsContact O-N 3.1Å
99S86.8Confident86.3Confident68 Ų6889.7 Ų89.748%0.47650%0.495SS..Hα-helixtrans-59.3-46.4172.4-1680000110.8D96 K102 S103D96-S99 WeakPolarHBondContact O-CB 3.26Å; D96-S99 PolarHBondContact O-N 2.77Å; D96-S99 PolarHBondContact OD1-N 3.42Å; S99-K102 PolarHBondContact O-N 3.24Å; S99-S103 PolarHBondContact O-N 3.13Å; S99-S103 PolarHBondContact O-OG 3.48Å
100Q88.3Confident86.4Confident21 Ų2185.4 Ų85.410%0.09849%0.485CS..Hα-helixtrans-60.7-47.3176.8-71.2-171.865.100112.6V92 I95 D96 R98 K102 S103 Q104V92-Q100 PolarHBondContact O-NE2 3.16Å; I95-Q100 HydrophobicContact CB-CG 3.97Å; I95-Q100 HydrophobicContact CG2-CG 3.62Å; I95-Q100 PolarHBondContact O-NE2 3.08Å; D96-Q100 WeakPolarHBondContact O-CG 2.94Å; D96-Q100 PolarHBondContact O-N 3.1Å; R98-Q100 VanDerWaalsContact C-N 3.33Å; Q100-K102 PolarHBondContact O-N 3.47Å; Q100-S103 PolarHBondContact O-N 3.48Å; Q100-S103 VanDerWaalsContact O-N 3.16Å; Q100-S103 PolarHBondContact O-OG 3.49Å; Q100-Q104 VanDerWaalsContact O-CB 3.22Å; Q100-Q104 WeakPolarHBondContact O-CB 3.45Å; Q100-Q104 PolarHBondContact O-N 3.14Å
101K84.7Confident86.5Confident117 Ų11786.3 Ų86.351%0.50948%0.483SS..Hα-helixtrans-61.4-29.9177.5-75.8176.2-178.81780113.2H91 L97 R98H91-K101 WeakPolarHBondContact NE2-CE 3.41Å; L97-K101 WeakPolarHBondContact O-CB 3.42Å; L97-K101 WeakPolarHBondContact O-CG 3.33Å; L97-K101 PolarHBondContact O-N 3.04Å; R98-K101 PolarHBondContact O-N 3.43Å
102K85.7Confident86.2Confident190 Ų19085.8 Ų85.883%0.82648%0.482SS*.Hα-helixtrans-75.1-37.6174.7-77.4-177.4177.9-176.60112.7R98 S99 Q100R98-K102 WeakPolarHBondContact O-CG 3.48Å; R98-K102 PolarHBondContact O-N 3.01Å; R98-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 PolarHBondContact O-N 3.24Å; Q100-K102 PolarHBondContact O-N 3.47Å
103S82.9Confident85.9Confident93 Ų9388.7 Ų88.765%0.6549%0.491SS*.Hα-helixtrans-86-16.7179.963.40000113.5S99 Q100S99-S103 PolarHBondContact O-N 3.13Å; S99-S103 PolarHBondContact O-OG 3.48Å; Q100-S103 PolarHBondContact O-N 3.48Å; Q100-S103 VanDerWaalsContact O-N 3.16Å; Q100-S103 PolarHBondContact O-OG 3.49Å
104Q81.6Confident85.7Confident55 Ų5595 Ų9526%0.25749%0.494SS..SBendtrans-62.7138.4-178.2-172.3171.833.500111.4Q100 Q106Q100-Q104 VanDerWaalsContact O-CB 3.22Å; Q100-Q104 WeakPolarHBondContact O-CB 3.45Å; Q100-Q104 PolarHBondContact O-N 3.14Å; Q104-Q106 PolarHBondContact O-N 3.09Å
105S79.9Confident85.7Confident65 Ų65100 Ų10046%0.45548%0.484SS..  trans-56.9131.5172.2-174.40000111Q85 F107Q85-S105 PolarHBondContact NE2-OG 3.43Å; S105-F107 PolarHBondContact O-N 3.19Å
106Q83.8Confident85.5Confident147 Ų14798 Ų9869%0.68747%0.471SS*.THydrogen-bonded Turntrans-70.63.7179.8-65.5-175.3-7.100114Q104 Y108 G109 N110Q104-Q106 PolarHBondContact O-N 3.09Å; Q106-Y108 PolarHBondContact O-N 3.04Å; Q106-G109 WeakPolarHBondContact O-CA 3.42Å; Q106-G109 PolarHBondContact O-N 2.88Å; Q106-N110 PolarHBondContact O-N 2.71Å
107F88.2Confident85.5Confident113 Ų11397.5 Ų97.550%0.49647%0.472SS..Hα-helixtrans-50.1-53.8-178.2175.6-99.8000112.9S105 G109 N110 L111S105-F107 PolarHBondContact O-N 3.19Å; F107-G109 VanDerWaalsContact C-N 3.34Å; F107-G109 PolarHBondContact O-N 2.76Å; F107-N110 PolarHBondContact O-N 2.95Å; F107-L111 HydrophobicContact CE1-CD2 4.24Å; F107-L111 WeakPolarHBondContact O-CB 3.25Å; F107-L111 PolarHBondContact O-N 3.47Å
108Y86.2Confident85.5Confident56 Ų5698.4 Ų98.422%0.2248%0.477CS..Hα-helixtrans-71-28.3178.9-75.7-75.9000113Q85 Q106 L111 L112Q85-Y108 HydrophobicContact CB-CD2 4.06Å; Q85-Y108 HydrophobicContact CB-CE2 3.68Å; Q106-Y108 PolarHBondContact O-N 3.04Å; Y108-L111 HydrophobicContact CD1-CD2 4.03Å; Y108-L111 HydrophobicContact CE1-CD2 4.23Å; Y108-L111 PolarHBondContact O-N 3.4Å; Y108-L112 WeakPolarHBondContact O-CB 3.19Å; Y108-L112 WeakPolarHBondContact O-CD1 3.33Å; Y108-L112 WeakPolarHBondContact O-CG 3.26Å; Y108-L112 PolarHBondContact O-N 2.94Å
109G84.7Confident85.5Confident39 Ų3995.9 Ų95.940%0.40248%0.48SS..Hα-helixtrans-60.5-54.5172.500000111.1Q106 F107 L111 L112 E113Q106-G109 WeakPolarHBondContact O-CA 3.42Å; Q106-G109 PolarHBondContact O-N 2.88Å; F107-G109 VanDerWaalsContact C-N 3.34Å; F107-G109 PolarHBondContact O-N 2.76Å; G109-L111 VanDerWaalsContact C-N 3.31Å; G109-L111 PolarHBondContact O-N 2.85Å; G109-L112 PolarHBondContact O-N 2.84Å; G109-E113 PolarHBondContact O-N 3.28Å
110N87.3Confident85.3Confident83 Ų8396.9 Ų96.944%0.44448%0.477SS..Hα-helixtrans-61.7-37.4176.7-65.5-19.3000112.3Q106 F107 R114Q106-N110 PolarHBondContact O-N 2.71Å; F107-N110 PolarHBondContact O-N 2.95Å; N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 2.87Å
111L88.5Confident85Confident49 Ų4999.8 Ų99.826%0.25749%0.49SS..Hα-helixtrans-66.1-41.9177.8-174.466.2000112F107 Y108 G109 R114 R115F107-L111 HydrophobicContact CE1-CD2 4.24Å; F107-L111 WeakPolarHBondContact O-CB 3.25Å; F107-L111 PolarHBondContact O-N 3.47Å; Y108-L111 HydrophobicContact CD1-CD2 4.03Å; Y108-L111 HydrophobicContact CE1-CD2 4.23Å; Y108-L111 PolarHBondContact O-N 3.4Å; G109-L111 VanDerWaalsContact C-N 3.31Å; G109-L111 PolarHBondContact O-N 2.85Å; L111-R114 PolarHBondContact O-N 3.3Å; L111-R115 HydrophobicContact CD1-CG 4.49Å; L111-R115 WeakPolarHBondContact O-CB 3.47Å; L111-R115 WeakPolarHBondContact O-CG 3.3Å; L111-R115 PolarHBondContact O-N 3.41Å; L111-R115 VanDerWaalsContact O-N 3.12Å
112L84.6Confident84.7Confident47 Ų47101.3 Ų101.325%0.24650%0.499CS..Hα-helixtrans-70.1-41.2179.1-72.7165.6000111.5Y108 G109 R114 R115 R116Y108-L112 WeakPolarHBondContact O-CB 3.19Å; Y108-L112 WeakPolarHBondContact O-CD1 3.33Å; Y108-L112 WeakPolarHBondContact O-CG 3.26Å; Y108-L112 PolarHBondContact O-N 2.94Å; G109-L112 PolarHBondContact O-N 2.84Å; L112-R114 PolarHBondContact O-N 2.97Å; L112-R115 PolarHBondContact O-N 2.82Å; L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 WeakPolarHBondContact O-CG 3.41Å; L112-R116 PolarHBondContact O-N 3.06Å
113E84.5Confident84.4Confident133 Ų13399.7 Ų99.762%0.62149%0.494SS*.Hα-helixtrans-58.9-36.9174.8-78.8-176.717400112.7G109 K121G109-E113 PolarHBondContact O-N 3.28Å; E113-K121 VanDerWaalsContact O-CE 3.22Å; E113-K121 WeakPolarHBondContact O-CE 3.42Å; E113-K121 PolarHBondContact O-NZ 3.21Å
114R87.6Confident83.8Confident228 Ų228100.4 Ų100.486%0.8649%0.487SS*.Hα-helixtrans-75.4-34.1178-80.4-179.4162.5-174.4-4.6114.3N110 L111 L112N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 2.87Å; L111-R114 PolarHBondContact O-N 3.3Å; L112-R114 PolarHBondContact O-N 2.97Å
115R88.8Confident83Confident197 Ų197103.9 Ų103.974%0.74350%0.503SS*.Hα-helixtrans-93.4-25-172.1-74.7-170.3178.5-167.31.4114.5L111 L112L111-R115 HydrophobicContact CD1-CG 4.49Å; L111-R115 WeakPolarHBondContact O-CB 3.47Å; L111-R115 WeakPolarHBondContact O-CG 3.3Å; L111-R115 PolarHBondContact O-N 3.41Å; L111-R115 VanDerWaalsContact O-N 3.12Å; L112-R115 PolarHBondContact O-N 2.82Å
116R85.3Confident82.2Confident48 Ų48103.4 Ų103.418%0.18150%0.5CS..SBendtrans-79.3139.2-175.2-75.4-171.1158.6134.1-13.6112.5L112 E120 K121L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 WeakPolarHBondContact O-CG 3.41Å; L112-R116 PolarHBondContact O-N 3.06Å; R116-E120 WeakPolarHBondContact CA-OE2 3.27Å; R116-E120 HydrophobicContact CB-CB 4.07Å; R116-E120 HydrophobicContact CG-CB 4.2Å; R116-E120 WeakPolarHBondContact CG-OE2 3.36Å; R116-K121 HydrophobicContact CB-CG 4.02Å; R116-K121 WeakPolarHBondContact O-CE 3.3Å
117T88Confident81.3Confident89 Ų89101.7 Ų101.755%0.54650%0.499SS..  trans-66.7158.3165.75.60000110.7A119 E120 K121T117-A119 VanDerWaalsContact C-N 3.27Å; T117-A119 PolarHBondContact O-N 2.92Å; T117-E120 PolarHBondContact N-OE2 3.45Å; T117-E120 WeakPolarHBondContact O-CB 3.39Å; T117-E120 PolarHBondContact O-N 3.27Å; T117-K121 PolarHBondContact O-N 3.43Å
118D84.8Confident80.8Confident117 Ų117104 Ų10463%0.62651%0.509SS*.Hα-helixtrans-60.6-37.6-179.1-61.7-33.6000112.2E120 K121 E122D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.07Å; D118-K121 WeakPolarHBondContact O-CB 3.27Å; D118-K121 PolarHBondContact O-N 2.62Å; D118-K121 VanDerWaalsContact O-N 3.15Å; D118-K121 IonicContact OD1-NZ 3.7Å; D118-E122 PolarHBondContact O-N 2.83Å
119A83.6Confident80.4Confident58 Ų58105 Ų10548%0.47952%0.521SS..Hα-helixtrans-60.9-34.917300000113.5T117 Q123T117-A119 VanDerWaalsContact C-N 3.27Å; T117-A119 PolarHBondContact O-N 2.92Å; A119-Q123 WeakPolarHBondContact O-CG 3.41Å; A119-Q123 PolarHBondContact O-N 3.43Å; A119-Q123 VanDerWaalsContact O-N 3.16Å
120E82.9Confident80.1Confident90 Ų90111.4 Ų111.442%0.42153%0.533SS..Hα-helixtrans-74.9-32.1176.7-65.4-176.9156.900112R116 T117 D118 Q124R116-E120 WeakPolarHBondContact CA-OE2 3.27Å; R116-E120 HydrophobicContact CB-CB 4.07Å; R116-E120 HydrophobicContact CG-CB 4.2Å; R116-E120 WeakPolarHBondContact CG-OE2 3.36Å; T117-E120 PolarHBondContact N-OE2 3.45Å; T117-E120 WeakPolarHBondContact O-CB 3.39Å; T117-E120 PolarHBondContact O-N 3.27Å; D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.07Å; E120-Q124 WeakPolarHBondContact O-CB 3.42Å; E120-Q124 PolarHBondContact O-N 2.86Å; E120-Q124 VanDerWaalsContact O-N 3.12Å
121K81.2Confident79.9Confident82 Ų82110.2 Ų110.236%0.35754%0.535SS..Hα-helixtrans-65.4-45.6173.8-68.8175.5-176.9167.70110.6E113 R116 T117 D118 Q123 Q124 E125E113-K121 VanDerWaalsContact O-CE 3.22Å; E113-K121 WeakPolarHBondContact O-CE 3.42Å; E113-K121 PolarHBondContact O-NZ 3.21Å; R116-K121 HydrophobicContact CB-CG 4.02Å; R116-K121 WeakPolarHBondContact O-CE 3.3Å; T117-K121 PolarHBondContact O-N 3.43Å; D118-K121 WeakPolarHBondContact O-CB 3.27Å; D118-K121 PolarHBondContact O-N 2.62Å; D118-K121 VanDerWaalsContact O-N 3.15Å; D118-K121 IonicContact OD1-NZ 3.7Å; K121-Q123 PolarHBondContact O-N 2.94Å; K121-Q124 PolarHBondContact O-N 3.3Å; K121-E125 PolarHBondContact O-N 3.25Å; K121-E125 VanDerWaalsContact O-N 3.1Å
122E79.4Confident79.9Confident149 Ų149115.4 Ų115.470%0.69656%0.555SS**Hα-helixtrans-60.7-42.1175.3-73.3-176.3167.400112.5D118 Q124 E125D118-E122 PolarHBondContact O-N 2.83Å; E122-Q124 VanDerWaalsContact C-N 3.31Å; E122-Q124 PolarHBondContact O-N 2.83Å; E122-E125 PolarHBondContact O-N 3.14Å
123Q78.1Confident79.8Confident156 Ų156116.5 Ų116.573%0.72956%0.559SS**Hα-helixtrans-63.3-36.8175.7-76.4179.96.400112.6A119 K121 S126A119-Q123 WeakPolarHBondContact O-CG 3.41Å; A119-Q123 PolarHBondContact O-N 3.43Å; A119-Q123 VanDerWaalsContact O-N 3.16Å; K121-Q123 PolarHBondContact O-N 2.94Å; Q123-S126 PolarHBondContact O-N 2.93Å
124Q70.3Confident79.9Confident107 Ų107113 Ų11350%0.555%0.553SS.*Hα-helixtrans-74.8-29.7-177.8-164.7-167.44.200113E120 K121 E122 S126E120-Q124 WeakPolarHBondContact O-CB 3.42Å; E120-Q124 PolarHBondContact O-N 2.86Å; E120-Q124 VanDerWaalsContact O-N 3.12Å; K121-Q124 PolarHBondContact O-N 3.3Å; E122-Q124 VanDerWaalsContact C-N 3.31Å; E122-Q124 PolarHBondContact O-N 2.83Å; Q124-S126 PolarHBondContact O-N 2.88Å
125E66.2Low80Confident129 Ų129108.8 Ų108.860%0.60354%0.541SS*.THydrogen-bonded Turntrans-61.15.1171-78.5-157.1138.200113.8K121 E122 T127K121-E125 PolarHBondContact O-N 3.25Å; K121-E125 VanDerWaalsContact O-N 3.1Å; E122-E125 PolarHBondContact O-N 3.14Å; E125-T127 PolarHBondContact O-N 2.75Å
126S61.4Low79.8Confident54 Ų54104.8 Ų104.838%0.37853%0.531SS..  trans-24.997.417474.80000112.8Q123 Q124 K128 V129Q123-S126 PolarHBondContact O-N 2.93Å; Q124-S126 PolarHBondContact O-N 2.88Å; S126-K128 PolarHBondContact O-N 3.12Å; S126-V129 PolarHBondContact O-N 2.92Å
127T65.4Low79.8Confident111 Ų111109.5 Ų109.568%0.68155%0.553SS**Hα-helixtrans-56.3-22.7-179.149.20000111.7E125 V129 A131E125-T127 PolarHBondContact O-N 2.75Å; T127-V129 PolarHBondContact O-N 2.75Å; T127-A131 WeakPolarHBondContact O-CB 3.49Å; T127-A131 PolarHBondContact O-N 3.24Å
128K77.6Confident79.7Confident162 Ų162112 Ų11270%0.70455%0.552SS**Hα-helixtrans-59.9-42.7179.4-67.6-176.4178.7177.50114.2S126 K132S126-K128 PolarHBondContact O-N 3.12Å; K128-K132 WeakPolarHBondContact O-CB 3.46Å; K128-K132 VanDerWaalsContact O-CG 3.31Å; K128-K132 WeakPolarHBondContact O-CG 3.29Å; K128-K132 PolarHBondContact O-N 3.22Å
129V77.5Confident79.7Confident78 Ų78110.4 Ų110.447%0.47354%0.543SS..Hα-helixtrans-71.3-47.2-178.1178.80000110.1S126 T127 A131 K132 E133S126-V129 PolarHBondContact O-N 2.92Å; T127-V129 PolarHBondContact O-N 2.75Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 2.97Å; V129-K132 PolarHBondContact O-N 3.27Å; V129-E133 WeakPolarHBondContact O-CG 3.4Å; V129-E133 PolarHBondContact O-N 3.39Å
130R78.7Confident79.7Confident173 Ų173111.2 Ų111.265%0.65354%0.54SS*.Hα-helixtrans-59.7-41.2175.3-72.6-177.1172.5173.70.5111.7E133 A134R130-E133 PolarHBondContact O-N 3.11Å; R130-A134 VanDerWaalsContact O-CB 3.24Å; R130-A134 WeakPolarHBondContact O-CB 3.49Å; R130-A134 PolarHBondContact O-N 3.34Å
131A84.2Confident80.1Confident58 Ų58108.6 Ų108.648%0.47953%0.526SS..Hα-helixtrans-64.4-41.4176.200000112.4T127 V129 A134 K135T127-A131 WeakPolarHBondContact O-CB 3.49Å; T127-A131 PolarHBondContact O-N 3.24Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 2.97Å; A131-A134 PolarHBondContact O-N 3.33Å; A131-K135 WeakPolarHBondContact O-CB 3.49Å; A131-K135 PolarHBondContact O-N 3.36Å
132K87Confident80.5Confident157 Ų157108.2 Ų108.268%0.68353%0.526SS*.Hα-helixtrans-63.4-45.2174.2-77-179.6178.8-171.20111.9K128 V129 A134 K135 Q136K128-K132 WeakPolarHBondContact O-CB 3.46Å; K128-K132 VanDerWaalsContact O-CG 3.31Å; K128-K132 WeakPolarHBondContact O-CG 3.29Å; K128-K132 PolarHBondContact O-N 3.22Å; V129-K132 PolarHBondContact O-N 3.27Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-K135 PolarHBondContact O-N 3.28Å; K132-Q136 WeakPolarHBondContact O-CB 3.28Å; K132-Q136 PolarHBondContact O-N 3.12Å
133E82.9Confident81.1Confident70 Ų70101.8 Ų101.833%0.32750%0.495SS..Hα-helixtrans-64.3-39177-73.5-176.6157.100112.2V129 R130 K137V129-E133 WeakPolarHBondContact O-CG 3.4Å; V129-E133 PolarHBondContact O-N 3.39Å; R130-E133 PolarHBondContact O-N 3.11Å; E133-K137 VanDerWaalsContact O-CB 3.25Å; E133-K137 WeakPolarHBondContact O-CB 3.37Å; E133-K137 PolarHBondContact O-N 2.83Å
134A86.6Confident81.7Confident60 Ų60102.9 Ų102.950%0.49649%0.492SS..Hα-helixtrans-66.3-44.1175.800000111.4R130 A131 K132 K137 W138R130-A134 VanDerWaalsContact O-CB 3.24Å; R130-A134 WeakPolarHBondContact O-CB 3.49Å; R130-A134 PolarHBondContact O-N 3.34Å; A131-A134 PolarHBondContact O-N 3.33Å; K132-A134 VanDerWaalsContact C-N 3.34Å; A134-K137 PolarHBondContact O-N 3.29Å; A134-W138 WeakPolarHBondContact O-CB 3.46Å; A134-W138 PolarHBondContact O-N 3.31Å
135K89.2Confident82.7Confident140 Ų140104 Ų10461%0.60950%0.497SS*.Hα-helixtrans-60.9-49.1175.1-175.7178.2179.3179.10111.5A131 K132 K137 W138 D139A131-K135 WeakPolarHBondContact O-CB 3.49Å; A131-K135 PolarHBondContact O-N 3.36Å; K132-K135 PolarHBondContact O-N 3.28Å; K135-K137 VanDerWaalsContact C-N 3.32Å; K135-K137 PolarHBondContact O-N 3.49Å; K135-W138 WeakPolarHBondContact O-CB 3.43Å; K135-W138 PolarHBondContact O-N 3.41Å; K135-W138 VanDerWaalsContact O-N 3.09Å; K135-D139 PolarHBondContact O-N 3.09Å
136Q85.4Confident83.9Confident112 Ų11298.6 Ų98.652%0.52347%0.472SS..Hα-helixtrans-59.8-44.5177.3-174.3176.92100111.5K132 W138 D139 D140K132-Q136 WeakPolarHBondContact O-CB 3.28Å; K132-Q136 PolarHBondContact O-N 3.12Å; Q136-W138 VanDerWaalsContact C-N 3.26Å; Q136-W138 PolarHBondContact O-N 2.94Å; Q136-D139 PolarHBondContact O-N 2.84Å; Q136-D140 WeakPolarHBondContact CG-OD2 3.37Å; Q136-D140 WeakPolarHBondContact O-CB 3.25Å; Q136-D140 PolarHBondContact O-N 2.61Å
137K85.6Confident85.3Confident148 Ų14898.5 Ų98.564%0.64347%0.471SS*.Hα-helixtrans-62.9-33.3176.5-170.9-178.8178.5-171.30112.3E133 A134 K135 R141E133-K137 VanDerWaalsContact O-CB 3.25Å; E133-K137 WeakPolarHBondContact O-CB 3.37Å; E133-K137 PolarHBondContact O-N 2.83Å; A134-K137 PolarHBondContact O-N 3.29Å; K135-K137 VanDerWaalsContact C-N 3.32Å; K135-K137 PolarHBondContact O-N 3.49Å; K137-R141 WeakPolarHBondContact O-CG 3.47Å; K137-R141 PolarHBondContact O-N 3.46Å
138W85.5Confident86.5Confident140 Ų14096.8 Ų96.853%0.5346%0.458SS..Hα-helixtrans-69.8-43.6176.6-176.6-95.1000112.2A134 K135 Q136 R141A134-W138 WeakPolarHBondContact O-CB 3.46Å; A134-W138 PolarHBondContact O-N 3.31Å; K135-W138 WeakPolarHBondContact O-CB 3.43Å; K135-W138 PolarHBondContact O-N 3.41Å; K135-W138 VanDerWaalsContact O-N 3.09Å; Q136-W138 VanDerWaalsContact C-N 3.26Å; Q136-W138 PolarHBondContact O-N 2.94Å; W138-R141 VanDerWaalsContact CH2-NH1 3.34Å; W138-R141 VanDerWaalsContact CZ2-CZ 3.43Å; W138-R141 VanDerWaalsContact O-CG 3.28Å; W138-R141 WeakPolarHBondContact O-CG 3.5Å; W138-R141 PolarHBondContact O-NE 3.49Å
139D84.5Confident87.1Confident84 Ų8498.2 Ų98.245%0.44947%0.467SS..Hα-helixtrans-70.7-39.4-179.6-63.7-18.1000111.3K135 Q136 R141 K146K135-D139 PolarHBondContact O-N 3.09Å; Q136-D139 PolarHBondContact O-N 2.84Å; D139-R141 VanDerWaalsContact C-N 3.27Å; D139-R141 PolarHBondContact O-N 3.48Å; D139-K146 PolarHBondContact O-NZ 3.2Å
140D85Confident87.8Confident76 Ų7698.2 Ų98.241%0.40646%0.462SS..THydrogen-bonded Turntrans-85.314.5179.4-69.3-40.3000114Q136 R154Q136-D140 WeakPolarHBondContact CG-OD2 3.37Å; Q136-D140 WeakPolarHBondContact O-CB 3.25Å; Q136-D140 PolarHBondContact O-N 2.61Å; D140-R154 IonicContact OD1-CZ 3.02Å; D140-R154 IonicContact OD1-NH1 2.75Å; D140-R154 PolarHBondContact OD1-NH1 2.92Å; D140-R154 IonicContact OD1-NH2 3.16Å
141R89.9Confident88.5Confident34 Ų3490.5 Ų90.513%0.12843%0.433CS..  trans-57.7144.6174.7-76.4179.8-63.9155.70.8110.7K137 W138 D139 Q145 K146 E150K137-R141 WeakPolarHBondContact O-CG 3.47Å; K137-R141 PolarHBondContact O-N 3.46Å; W138-R141 VanDerWaalsContact CH2-NH1 3.34Å; W138-R141 VanDerWaalsContact CZ2-CZ 3.43Å; W138-R141 VanDerWaalsContact O-CG 3.28Å; W138-R141 WeakPolarHBondContact O-CG 3.5Å; W138-R141 PolarHBondContact O-NE 3.49Å; D139-R141 VanDerWaalsContact C-N 3.27Å; D139-R141 PolarHBondContact O-N 3.48Å; R141-Q145 HydrophobicContact CB-CB 4.41Å; R141-Q145 PolarHBondContact NH1-O 3.33Å; R141-K146 HydrophobicContact CB-CG 4.26Å; R141-K146 WeakPolarHBondContact O-CE 3.47Å; R141-K146 PolarHBondContact O-NZ 2.88Å; R141-E150 IonicContact CZ-OE1 3.83Å; R141-E150 IonicContact NH1-OE1 2.92Å; R141-E150 IonicContact NH2-OE1 3.52Å; R141-E150 PolarHBondContact NH2-OE1 3.25Å; R141-E150 IonicContact NH2-OE2 3.6Å
142H89.7Confident88.8Confident75 Ų7590.2 Ų90.235%0.34743%0.431SS..  trans-62.3144.1169.4-167.5-90.9000110.1R144 Q145 D162H142-R144 WeakPolarHBondContact ND1-CG 3.48Å; H142-R144 PolarHBondContact ND1-N 3.1Å; H142-R144 PolarHBondContact O-N 3.18Å; H142-Q145 PolarHBondContact O-N 3.16Å; H142-D162 IonicContact CE1-OD2 3.79Å; H142-D162 IonicContact NE2-OD2 2.85Å; H142-D162 PolarHBondContact NE2-OD2 2.96Å
143W92.7Very high89Confident14 Ų1489.1 Ų89.15%0.05343%0.428CS..G310 helixtrans-54.6-30.9-175.958.8-98.6000113.7Q145 K146 M151 F159 D162 Y163 R177W143-Q145 PolarHBondContact O-N 3.39Å; W143-Q145 VanDerWaalsContact O-N 3.11Å; W143-K146 PolarHBondContact O-N 2.77Å; W143-M151 HydrophobicContact CB-CE 3.68Å; W143-M151 HydrophobicContact CB-SD 3.57Å; W143-M151 VanDerWaalsContact CB-SD 3.57Å; W143-F159 AromaticContact CD2-CD2 3.52Å; W143-F159 HydrophobicContact CD2-CD2 3.52Å; W143-F159 HydrophobicContact CD2-CE2 4.09Å; W143-F159 AromaticContact CE2-CD2 3.68Å; W143-F159 AromaticContact CE3-CD2 3.69Å; W143-F159 HydrophobicContact CE3-CD2 3.69Å; W143-F159 AromaticContact CE3-CE2 3.8Å; W143-F159 HydrophobicContact CE3-CE2 3.8Å; W143-F159 HydrophobicContact CG-CB 4.47Å; W143-F159 HydrophobicContact CG-CD2 4Å; W143-F159 HydrophobicContact CH2-CD2 4.19Å; W143-F159 AromaticContact CH2-CE2 3.87Å; W143-F159 HydrophobicContact CH2-CE2 3.87Å; W143-F159 HydrophobicContact CZ2-CD2 4.03Å; W143-F159 HydrophobicContact CZ2-CE2 4.13Å; W143-F159 HydrophobicContact CZ3-CD2 4.02Å; W143-F159 AromaticContact CZ3-CE2 3.69Å; W143-F159 HydrophobicContact CZ3-CE2 3.69Å; W143-D162 PolarHBondContact NE1-OD2 2.94Å; W143-Y163 AromaticContact CH2-CE2 3.66Å; W143-Y163 HydrophobicContact CH2-CE2 3.66Å; W143-Y163 AromaticContact CH2-CZ 3.95Å; W143-Y163 WeakPolarHBondContact CH2-OH 3.5Å; W143-Y163 HydrophobicContact CZ2-CD2 4.5Å; W143-Y163 AromaticContact CZ2-CE2 3.6Å; W143-Y163 HydrophobicContact CZ2-CE2 3.6Å; W143-R177 PolarHBondContact O-NH1 3.32Å
144R90.3Very high89.3Confident178 Ų17892 Ų9267%0.67244%0.436SS*.G310 helixtrans-56.1-23.5173.8-71-179.8-175.4-172.92.1114.3H142H142-R144 WeakPolarHBondContact ND1-CG 3.48Å; H142-R144 PolarHBondContact ND1-N 3.1Å; H142-R144 PolarHBondContact O-N 3.18Å
145Q91Very high89.7Confident130 Ų13089.6 Ų89.661%0.60742%0.415SS*.G310 helixtrans-102.7-0.8-180-61.5177.2-1.600112.9R141 H142 W143R141-Q145 HydrophobicContact CB-CB 4.41Å; R141-Q145 PolarHBondContact NH1-O 3.33Å; H142-Q145 PolarHBondContact O-N 3.16Å; W143-Q145 PolarHBondContact O-N 3.39Å; W143-Q145 VanDerWaalsContact O-N 3.11Å
146K91.3Very high89.9Confident16 Ų1683 Ų837%0.0739%0.386CS..SBendtrans-98.4151.7179.1-65.8-178.7170.61770109.2D139 R141 W143 E150 M151 D155 R177D139-K146 PolarHBondContact O-NZ 3.2Å; R141-K146 HydrophobicContact CB-CG 4.26Å; R141-K146 WeakPolarHBondContact O-CE 3.47Å; R141-K146 PolarHBondContact O-NZ 2.88Å; W143-K146 PolarHBondContact O-N 2.77Å; K146-E150 HydrophobicContact CB-CB 4.21Å; K146-M151 HydrophobicContact CB-SD 4.16Å; K146-M151 HydrophobicContact CD-SD 4.41Å; K146-D155 IonicContact NZ-OD1 3.19Å; K146-D155 PolarHBondContact NZ-OD1 3.17Å; K146-D155 IonicContact NZ-OD2 2.72Å; K146-D155 PolarHBondContact NZ-OD2 2.89Å; K146-R177 VanDerWaalsContact O-CZ 3.27Å; K146-R177 PolarHBondContact O-NH1 3.31Å; K146-R177 PolarHBondContact O-NH2 3.02Å
147S91.4Very high90Very high52 Ų5284.8 Ų84.836%0.36439%0.388SS..  trans-77.3167.3162.559.90000110.8E149 E150 M151 R177S147-E149 VanDerWaalsContact C-N 3.29Å; S147-E149 PolarHBondContact O-N 2.91Å; S147-E150 PolarHBondContact N-OE2 3.24Å; S147-E150 PolarHBondContact O-N 3.47Å; S147-E150 VanDerWaalsContact OG-CG 3.23Å; S147-E150 WeakPolarHBondContact OG-CG 2.8Å; S147-E150 PolarHBondContact OG-OE2 2.92Å; S147-M151 WeakPolarHBondContact O-CG 3.4Å; S147-R177 PolarHBondContact O-NH1 3.25Å
148L90.5Very high90.1Very high75 Ų7579.9 Ų79.939%0.39337%0.368SS..SBendtrans-60.6-38.2178.6-176.664.4000112.3E150 M151 W156 R177 D181L148-E150 VanDerWaalsContact C-N 3.33Å; L148-E150 PolarHBondContact O-N 2.89Å; L148-M151 WeakPolarHBondContact O-CB 3.42Å; L148-M151 PolarHBondContact O-N 3.15Å; L148-W156 HydrophobicContact CD1-CH2 3.71Å; L148-W156 HydrophobicContact CD1-CZ2 3.67Å; L148-R177 HydrophobicContact CD1-CG 4.41Å; L148-D181 HydrophobicContact CD2-CB 4.39Å
149E90.6Very high90.5Very high193 Ų19373.2 Ų73.290%0.90234%0.343SS*.THydrogen-bonded Turntrans-69-29.9-179.6-62.1177.2-17600112.8S147 M151S147-E149 VanDerWaalsContact C-N 3.29Å; S147-E149 PolarHBondContact O-N 2.91Å; E149-M151 VanDerWaalsContact C-N 3.29Å; E149-M151 PolarHBondContact O-N 3.34Å
150E91.7Very high90.7Very high78 Ų7870.7 Ų70.736%0.36433%0.327SS..THydrogen-bonded Turntrans-79.8-6.6177.9-71.3172.8124.900113.5R141 K146 S147 L148 A152R141-E150 IonicContact CZ-OE1 3.83Å; R141-E150 IonicContact NH1-OE1 2.92Å; R141-E150 IonicContact NH2-OE1 3.52Å; R141-E150 PolarHBondContact NH2-OE1 3.25Å; R141-E150 IonicContact NH2-OE2 3.6Å; K146-E150 HydrophobicContact CB-CB 4.21Å; S147-E150 PolarHBondContact N-OE2 3.24Å; S147-E150 PolarHBondContact O-N 3.47Å; S147-E150 VanDerWaalsContact OG-CG 3.23Å; S147-E150 WeakPolarHBondContact OG-CG 2.8Å; S147-E150 PolarHBondContact OG-OE2 2.92Å; L148-E150 VanDerWaalsContact C-N 3.33Å; L148-E150 PolarHBondContact O-N 2.89Å; E150-A152 PolarHBondContact O-N 3.4Å
151M92.4Very high90.7Very high11 Ų1172.5 Ų72.55%0.05433%0.333CS..  trans-75.3110.3-174.7-70.2-73.5-66.200112.2W143 K146 S147 L148 E149 D155 W156W143-M151 HydrophobicContact CB-CE 3.68Å; W143-M151 HydrophobicContact CB-SD 3.57Å; W143-M151 VanDerWaalsContact CB-SD 3.57Å; K146-M151 HydrophobicContact CB-SD 4.16Å; K146-M151 HydrophobicContact CD-SD 4.41Å; S147-M151 WeakPolarHBondContact O-CG 3.4Å; L148-M151 WeakPolarHBondContact O-CB 3.42Å; L148-M151 PolarHBondContact O-N 3.15Å; E149-M151 VanDerWaalsContact C-N 3.29Å; E149-M151 PolarHBondContact O-N 3.34Å; M151-D155 HydrophobicContact CE-CB 3.56Å; M151-D155 HydrophobicContact SD-CB 3.82Å; M151-W156 HydrophobicContact CB-CZ2 3.86Å; M151-W156 HydrophobicContact CE-CD2 3.84Å; M151-W156 HydrophobicContact CE-CE3 3.9Å; M151-W156 HydrophobicContact CE-CG 4.36Å; M151-W156 HydrophobicContact CE-CH2 4.35Å; M151-W156 HydrophobicContact CE-CZ2 4.24Å; M151-W156 HydrophobicContact CE-CZ3 4.15Å; M151-W156 HydrophobicContact CG-CZ2 4.1Å; M151-W156 PolarHBondContact O-NE1 3.21Å
152A92.2Very high90.6Very high52 Ų5274.6 Ų74.643%0.4335%0.347SS..  trans-81.3165.7172.500000112.2E150 R154 D155 W156E150-A152 PolarHBondContact O-N 3.4Å; A152-R154 PolarHBondContact O-N 3.3Å; A152-D155 PolarHBondContact N-OD2 3.45Å; A152-D155 WeakPolarHBondContact O-CA 3.25Å; A152-D155 WeakPolarHBondContact O-CB 3.39Å; A152-D155 PolarHBondContact O-N 2.88Å; A152-W156 PolarHBondContact O-N 3.22Å; A152-W156 VanDerWaalsContact O-N 3.1Å
153E90.3Very high90.6Very high133 Ų13373.3 Ų73.362%0.62134%0.34SS*.Hα-helixtrans-53.9-36.8174.7-77.2-60.1142.300113.1D155 W156 R157E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact O-N 3.36Å; E153-W156 PolarHBondContact O-N 2.94Å; E153-R157 PolarHBondContact O-N 3.37Å
154R90.2Very high90.4Very high131 Ų13177 Ų7749%0.49436%0.36SS..Hα-helixtrans-61.3-41.5173.8178.5-177.9171.3-151.1-2.5111.8D140 A152 W156 R157 I158D140-R154 IonicContact OD1-CZ 3.02Å; D140-R154 IonicContact OD1-NH1 2.75Å; D140-R154 PolarHBondContact OD1-NH1 2.92Å; D140-R154 IonicContact OD1-NH2 3.16Å; A152-R154 PolarHBondContact O-N 3.3Å; R154-W156 VanDerWaalsContact C-N 3.33Å; R154-R157 WeakPolarHBondContact O-CB 3.26Å; R154-R157 PolarHBondContact O-N 2.84Å; R154-I158 HydrophobicContact CG-CD1 4.1Å; R154-I158 WeakPolarHBondContact O-CG1 3.48Å; R154-I158 PolarHBondContact O-N 3.24Å
155D93.6Very high90.3Very high9 Ų969 Ų695%0.04833%0.33CS..Hα-helixtrans-67.4-38-179.8-60.3-48.3000110.8K146 M151 A152 E153 R157 I158 F159K146-D155 IonicContact NZ-OD1 3.19Å; K146-D155 PolarHBondContact NZ-OD1 3.17Å; K146-D155 IonicContact NZ-OD2 2.72Å; K146-D155 PolarHBondContact NZ-OD2 2.89Å; M151-D155 HydrophobicContact CE-CB 3.56Å; M151-D155 HydrophobicContact SD-CB 3.82Å; A152-D155 PolarHBondContact N-OD2 3.45Å; A152-D155 WeakPolarHBondContact O-CA 3.25Å; A152-D155 WeakPolarHBondContact O-CB 3.39Å; A152-D155 PolarHBondContact O-N 2.88Å; E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact O-N 3.36Å; D155-R157 VanDerWaalsContact C-N 3.31Å; D155-R157 PolarHBondContact O-N 3.35Å; D155-I158 PolarHBondContact O-N 2.8Å; D155-F159 VanDerWaalsContact O-CB 3.28Å; D155-F159 WeakPolarHBondContact O-CB 3.43Å; D155-F159 PolarHBondContact O-N 3.01Å
156W93.3Very high90.1Very high3 Ų366.2 Ų66.21%0.01133%0.326CS..Hα-helixtrans-65.7-32.5173.2-69.4113.7000113.2L148 M151 A152 E153 R154 F159 R160 K174 P175 R177L148-W156 HydrophobicContact CD1-CH2 3.71Å; L148-W156 HydrophobicContact CD1-CZ2 3.67Å; M151-W156 HydrophobicContact CB-CZ2 3.86Å; M151-W156 HydrophobicContact CE-CD2 3.84Å; M151-W156 HydrophobicContact CE-CE3 3.9Å; M151-W156 HydrophobicContact CE-CG 4.36Å; M151-W156 HydrophobicContact CE-CH2 4.35Å; M151-W156 HydrophobicContact CE-CZ2 4.24Å; M151-W156 HydrophobicContact CE-CZ3 4.15Å; M151-W156 HydrophobicContact CG-CZ2 4.1Å; M151-W156 PolarHBondContact O-NE1 3.21Å; A152-W156 PolarHBondContact O-N 3.22Å; A152-W156 VanDerWaalsContact O-N 3.1Å; E153-W156 PolarHBondContact O-N 2.94Å; R154-W156 VanDerWaalsContact C-N 3.33Å; W156-F159 HydrophobicContact CE3-CG 4.46Å; W156-R160 WeakPolarHBondContact O-CG 3.34Å; W156-R160 PolarHBondContact O-N 2.97Å; W156-R160 VanDerWaalsContact O-N 3.12Å; W156-K174 HydrophobicContact CD2-CB 4.11Å; W156-K174 HydrophobicContact CD2-CD 4.32Å; W156-K174 HydrophobicContact CD2-CG 4.03Å; W156-K174 HydrophobicContact CE3-CB 4.25Å; W156-K174 HydrophobicContact CG-CG 4.28Å; W156-K174 HydrophobicContact CH2-CB 3.97Å; W156-K174 HydrophobicContact CZ2-CB 3.86Å; W156-K174 HydrophobicContact CZ2-CD 3.83Å; W156-K174 HydrophobicContact CZ2-CG 4.14Å; W156-K174 HydrophobicContact CZ3-CB 4.19Å; W156-P175 HydrophobicContact CE3-CG 3.7Å; W156-P175 WeakPolarHBondContact CH2-O 3.45Å; W156-P175 HydrophobicContact CZ3-CG 3.76Å; W156-P175 WeakPolarHBondContact CZ3-O 3.05Å; W156-R177 HydrophobicContact CH2-CG 3.7Å; W156-R177 HydrophobicContact CZ3-CG 3.87Å
157R87.3Confident90Very high149 Ų14968.2 Ų68.256%0.56234%0.337SS*.Hα-helixtrans-67.4-48.6172.1-170.3178.168.9-156.5-0.4111.3E153 R154 D155 F159 R160 E161E153-R157 PolarHBondContact O-N 3.37Å; R154-R157 WeakPolarHBondContact O-CB 3.26Å; R154-R157 PolarHBondContact O-N 2.84Å; D155-R157 VanDerWaalsContact C-N 3.31Å; D155-R157 PolarHBondContact O-N 3.35Å; R157-F159 VanDerWaalsContact C-N 3.3Å; R157-F159 PolarHBondContact O-N 2.77Å; R157-R160 PolarHBondContact O-N 2.7Å; R157-E161 IonicContact NE-OE1 2.81Å; R157-E161 WeakPolarHBondContact O-CG 3.48Å; R157-E161 PolarHBondContact O-N 3.28Å
158I88Confident89.7Confident44 Ų4471.6 Ų71.623%0.22635%0.345CS..Hα-helixtrans-59.8-43.1176.2-65.6167.5000110.4R154 D155 R160 E161 D162R154-I158 HydrophobicContact CG-CD1 4.1Å; R154-I158 WeakPolarHBondContact O-CG1 3.48Å; R154-I158 PolarHBondContact O-N 3.24Å; D155-I158 PolarHBondContact O-N 2.8Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.45Å; I158-E161 WeakPolarHBondContact O-CB 3.26Å; I158-E161 PolarHBondContact O-N 3.29Å; I158-E161 VanDerWaalsContact O-N 3.14Å; I158-D162 VanDerWaalsContact O-CG 3.3Å; I158-D162 PolarHBondContact O-N 3.27Å
159F93.7Very high89.3Confident0 Ų070.1 Ų70.10%035%0.348CS..Hα-helixtrans-55.8-46.1175.9-176.4-80.3000112W143 D155 W156 R157 D162 Y163 P175 L176 R177W143-F159 AromaticContact CD2-CD2 3.52Å; W143-F159 HydrophobicContact CD2-CD2 3.52Å; W143-F159 HydrophobicContact CD2-CE2 4.09Å; W143-F159 AromaticContact CE2-CD2 3.68Å; W143-F159 AromaticContact CE3-CD2 3.69Å; W143-F159 HydrophobicContact CE3-CD2 3.69Å; W143-F159 AromaticContact CE3-CE2 3.8Å; W143-F159 HydrophobicContact CE3-CE2 3.8Å; W143-F159 HydrophobicContact CG-CB 4.47Å; W143-F159 HydrophobicContact CG-CD2 4Å; W143-F159 HydrophobicContact CH2-CD2 4.19Å; W143-F159 AromaticContact CH2-CE2 3.87Å; W143-F159 HydrophobicContact CH2-CE2 3.87Å; W143-F159 HydrophobicContact CZ2-CD2 4.03Å; W143-F159 HydrophobicContact CZ2-CE2 4.13Å; W143-F159 HydrophobicContact CZ3-CD2 4.02Å; W143-F159 AromaticContact CZ3-CE2 3.69Å; W143-F159 HydrophobicContact CZ3-CE2 3.69Å; D155-F159 VanDerWaalsContact O-CB 3.28Å; D155-F159 WeakPolarHBondContact O-CB 3.43Å; D155-F159 PolarHBondContact O-N 3.01Å; W156-F159 HydrophobicContact CE3-CG 4.46Å; R157-F159 VanDerWaalsContact C-N 3.3Å; R157-F159 PolarHBondContact O-N 2.77Å; F159-D162 PolarHBondContact O-N 3.13Å; F159-Y163 AromaticContact CD1-CD2 3.94Å; F159-Y163 HydrophobicContact CD1-CD2 3.94Å; F159-Y163 HydrophobicContact CD1-CE2 4.44Å; F159-Y163 HydrophobicContact CD2-CD2 4.39Å; F159-Y163 HydrophobicContact CD2-CE2 4.17Å; F159-Y163 AromaticContact CE1-CD2 3.58Å; F159-Y163 HydrophobicContact CE1-CD2 3.58Å; F159-Y163 AromaticContact CE1-CE2 3.9Å; F159-Y163 HydrophobicContact CE1-CE2 3.9Å; F159-Y163 HydrophobicContact CE2-CD2 4.08Å; F159-Y163 AromaticContact CE2-CE2 3.61Å; F159-Y163 HydrophobicContact CE2-CE2 3.61Å; F159-Y163 HydrophobicContact CG-CD2 4.32Å; F159-Y163 AromaticContact CZ-CD2 3.67Å; F159-Y163 HydrophobicContact CZ-CD2 3.67Å; F159-Y163 AromaticContact CZ-CE2 3.45Å; F159-Y163 HydrophobicContact CZ-CE2 3.45Å; F159-Y163 VanDerWaalsContact CZ-CE2 3.45Å; F159-Y163 WeakPolarHBondContact O-CD2 3.37Å; F159-Y163 PolarHBondContact O-N 3.36Å; F159-P175 HydrophobicContact CD1-CB 4.25Å; F159-P175 HydrophobicContact CD1-CG 3.54Å; F159-P175 HydrophobicContact CE1-CB 3.8Å; F159-P175 HydrophobicContact CE1-CG 3.6Å; F159-L176 VanDerWaalsContact CZ-O 3.29Å; F159-L176 WeakPolarHBondContact CZ-O 3.47Å; F159-R177 HydrophobicContact CE2-CB 4.06Å; F159-R177 HydrophobicContact CE2-CG 4.09Å
160R90.1Very high88.8Confident32 Ų3262.3 Ų62.312%0.12132%0.319CS..Hα-helixtrans-66.6-40176.9-74.7-175.6-173.1107.2-8.8111.8W156 R157 I158 Y163 N164 I165 P175W156-R160 WeakPolarHBondContact O-CG 3.34Å; W156-R160 PolarHBondContact O-N 2.97Å; W156-R160 VanDerWaalsContact O-N 3.12Å; R157-R160 PolarHBondContact O-N 2.7Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.45Å; R160-Y163 CarbonylContact O-C 3.55Å; R160-Y163 PolarHBondContact O-N 2.96Å; R160-N164 CarbonylContact O-C 3.46Å; R160-N164 WeakPolarHBondContact O-CA 3.33Å; R160-N164 PolarHBondContact O-N 2.87Å; R160-I165 HydrophobicContact CB-CB 4.23Å; R160-I165 HydrophobicContact CG-CB 4.26Å; R160-I165 PolarHBondContact O-N 3.21Å; R160-P175 HydrophobicContact CG-CG 4.43Å
161E83.9Confident88.5Confident114 Ų11464.8 Ų64.853%0.53334%0.335SS..Hα-helixtrans-60.2-48174.2-72.7170.2-168.600111.4R157 I158 Y163 N164R157-E161 IonicContact NE-OE1 2.81Å; R157-E161 WeakPolarHBondContact O-CG 3.48Å; R157-E161 PolarHBondContact O-N 3.28Å; I158-E161 WeakPolarHBondContact O-CB 3.26Å; I158-E161 PolarHBondContact O-N 3.29Å; I158-E161 VanDerWaalsContact O-N 3.14Å; E161-Y163 VanDerWaalsContact C-N 3.3Å; E161-Y163 PolarHBondContact O-N 3.25Å; E161-N164 PolarHBondContact O-N 3Å; E161-N164 PolarHBondContact O-OD1 3.02Å
162D88.2Confident88.4Confident78 Ų7865.6 Ų65.642%0.41734%0.34SS..Hα-helixtrans-61-37.2-179.6-70.9-21.1000112.9H142 W143 I158 F159H142-D162 IonicContact CE1-OD2 3.79Å; H142-D162 IonicContact NE2-OD2 2.85Å; H142-D162 PolarHBondContact NE2-OD2 2.96Å; W143-D162 PolarHBondContact NE1-OD2 2.94Å; I158-D162 VanDerWaalsContact O-CG 3.3Å; I158-D162 PolarHBondContact O-N 3.27Å; F159-D162 PolarHBondContact O-N 3.13Å
163Y89.6Confident88.4Confident48 Ų4864 Ų6419%0.18833%0.325CS..THydrogen-bonded Turntrans-91.85.8176.8-73.6-67.9000113.6W143 F159 R160 E161 I165 P202 R205W143-Y163 AromaticContact CH2-CE2 3.66Å; W143-Y163 HydrophobicContact CH2-CE2 3.66Å; W143-Y163 AromaticContact CH2-CZ 3.95Å; W143-Y163 WeakPolarHBondContact CH2-OH 3.5Å; W143-Y163 HydrophobicContact CZ2-CD2 4.5Å; W143-Y163 AromaticContact CZ2-CE2 3.6Å; W143-Y163 HydrophobicContact CZ2-CE2 3.6Å; F159-Y163 AromaticContact CD1-CD2 3.94Å; F159-Y163 HydrophobicContact CD1-CD2 3.94Å; F159-Y163 HydrophobicContact CD1-CE2 4.44Å; F159-Y163 HydrophobicContact CD2-CD2 4.39Å; F159-Y163 HydrophobicContact CD2-CE2 4.17Å; F159-Y163 AromaticContact CE1-CD2 3.58Å; F159-Y163 HydrophobicContact CE1-CD2 3.58Å; F159-Y163 AromaticContact CE1-CE2 3.9Å; F159-Y163 HydrophobicContact CE1-CE2 3.9Å; F159-Y163 HydrophobicContact CE2-CD2 4.08Å; F159-Y163 AromaticContact CE2-CE2 3.61Å; F159-Y163 HydrophobicContact CE2-CE2 3.61Å; F159-Y163 HydrophobicContact CG-CD2 4.32Å; F159-Y163 AromaticContact CZ-CD2 3.67Å; F159-Y163 HydrophobicContact CZ-CD2 3.67Å; F159-Y163 AromaticContact CZ-CE2 3.45Å; F159-Y163 HydrophobicContact CZ-CE2 3.45Å; F159-Y163 VanDerWaalsContact CZ-CE2 3.45Å; F159-Y163 WeakPolarHBondContact O-CD2 3.37Å; F159-Y163 PolarHBondContact O-N 3.36Å; R160-Y163 CarbonylContact O-C 3.55Å; R160-Y163 PolarHBondContact O-N 2.96Å; E161-Y163 VanDerWaalsContact C-N 3.3Å; E161-Y163 PolarHBondContact O-N 3.25Å; Y163-I165 VanDerWaalsContact C-N 3.29Å; Y163-I165 PolarHBondContact O-N 3.45Å; Y163-P202 HydrophobicContact CD1-CG 4.01Å; Y163-R205 VanDerWaalsContact OH-CZ 3.32Å; Y163-R205 PolarHBondContact OH-NH2 2.71Å
164N87.6Confident88.6Confident92 Ų9262.7 Ų62.749%0.49232%0.317SS..THydrogen-bonded Turntrans50.344.5-176-62.5-52.7000113.5R160 E161 G415R160-N164 CarbonylContact O-C 3.46Å; R160-N164 WeakPolarHBondContact O-CA 3.33Å; R160-N164 PolarHBondContact O-N 2.87Å; E161-N164 PolarHBondContact O-N 3Å; E161-N164 PolarHBondContact O-OD1 3.02Å; N164-G415 PolarHBondContact O-N 2.99Å
165I89.9Confident88.9Confident8 Ų856.6 Ų56.64%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-97.4117.7178.4-52.2179.5000108.7R160 Y163 I167 P202 R205 Q206 V412 Y413 I414R160-I165 HydrophobicContact CB-CB 4.23Å; R160-I165 HydrophobicContact CG-CB 4.26Å; R160-I165 PolarHBondContact O-N 3.21Å; Y163-I165 VanDerWaalsContact C-N 3.29Å; Y163-I165 PolarHBondContact O-N 3.45Å; I165-I167 HydrophobicContact CG2-CG2 4.11Å; I165-P202 HydrophobicContact CD1-CB 4.3Å; I165-P202 VanDerWaalsContact CD1-O 3.3Å; I165-P202 WeakPolarHBondContact CD1-O 3.26Å; I165-P202 HydrophobicContact CG1-CB 4.18Å; I165-R205 HydrophobicContact CD1-CB 4.47Å; I165-Q206 HydrophobicContact CD1-CB 4.29Å; I165-Q206 HydrophobicContact CG2-CB 3.97Å; I165-Q206 HydrophobicContact CG2-CG 4Å; I165-V412 HydrophobicContact CG2-CG1 4.02Å; I165-Y413 WeakPolarHBondContact CA-O 3.48Å; I165-I414 HydrophobicContact CB-CD1 4.26Å; I165-I414 HydrophobicContact CD1-CD1 4.45Å; I165-I414 HydrophobicContact CG1-CD1 3.77Å; I165-I414 HydrophobicContact CG2-CD1 4.08Å
166S85.8Confident89Confident73 Ų7356.8 Ų56.851%0.5130%0.296SS..EExtended strand (participates in β ladder)trans-111.5138.6169.2-64.90000110Y413S166-Y413 PolarHBondContact N-O 2.91Å; S166-Y413 PolarHBondContact O-N 3.1Å
167I88.9Confident89Confident58 Ų5858.4 Ų58.430%0.29730%0.302SS..EExtended strand (participates in β ladder)trans-123.6148.3-175.557.8170.9000111.8I165 V172 Q206 V411 V412I165-I167 HydrophobicContact CG2-CG2 4.11Å; I167-V172 HydrophobicContact CD1-CB 3.9Å; I167-V172 HydrophobicContact CD1-CG1 3.92Å; I167-V172 HydrophobicContact CD1-CG2 4.15Å; I167-Q206 HydrophobicContact CG2-CG 3.84Å; I167-V411 CarbonylContact C-O 3.55Å; I167-V411 VanDerWaalsContact CA-O 3.26Å; I167-V411 WeakPolarHBondContact CA-O 3.29Å; I167-V412 HydrophobicContact CG2-CG2 4.47Å
168K85.2Confident89.3Confident123 Ų12352.3 Ų52.354%0.53528%0.282SS..EExtended strand (participates in β ladder)trans-130.9139.7165.6-61.8179.9-179.91690109.5V410 V411 Y413K168-V410 CarbonylContact O-C 3.59Å; K168-V410 WeakPolarHBondContact O-CA 3.39Å; K168-V410 WeakPolarHBondContact O-CG1 3.23Å; K168-V411 HydrophobicContact CB-CB 4.1Å; K168-V411 HydrophobicContact CB-CG2 4.3Å; K168-V411 PolarHBondContact N-O 3.23Å; K168-V411 PolarHBondContact O-N 3.47Å; K168-Y413 HydrophobicContact CD-CE2 3.9Å; K168-Y413 HydrophobicContact CG-CE2 4.1Å; K168-Y413 PolarHBondContact NZ-OH 3.19Å
169G82Confident89.6Confident44 Ų4450.3 Ų50.345%0.45427%0.272SS..SBendtrans128.7153.6-177.200000111.3V172G169-V172 WeakPolarHBondContact O-CG2 3.35Å
170G80.7Confident89.5Confident29 Ų2955.5 Ų55.530%0.29930%0.296SS..SBendtrans-75158.7175.300000112.3V172 R215G170-V172 VanDerWaalsContact C-N 3.33Å; G170-V172 PolarHBondContact O-N 3.03Å; G170-V172 VanDerWaalsContact O-N 3.13Å; G170-R215 PolarHBondContact O-NH1 3.28Å; G170-R215 PolarHBondContact O-NH2 3.24Å
171N85.5Confident89.3Confident130 Ų13056 Ų5670%0.69530%0.302SS*.SBendtrans4647.5167.6-59.5-20.1000115.1R215N171-R215 PolarHBondContact O-NH1 3.31Å
172V90.4Very high89.2Confident27 Ų2751.3 Ų51.316%0.16428%0.284CS..PPolyproline II helixtrans-79.2129.1-176.6-177.80000110.2I167 G169 G170 I210 V410I167-V172 HydrophobicContact CD1-CB 3.9Å; I167-V172 HydrophobicContact CD1-CG1 3.92Å; I167-V172 HydrophobicContact CD1-CG2 4.15Å; G169-V172 WeakPolarHBondContact O-CG2 3.35Å; G170-V172 VanDerWaalsContact C-N 3.33Å; G170-V172 PolarHBondContact O-N 3.03Å; G170-V172 VanDerWaalsContact O-N 3.13Å; V172-I210 HydrophobicContact CG1-CD1 4.04Å; V172-I210 HydrophobicContact CG1-CG1 4.12Å; V172-V410 HydrophobicContact CG1-CG1 4.06Å; V172-V410 HydrophobicContact CG2-CG1 3.72Å; V172-V410 HydrophobicContact CG2-CG2 4.1Å
173P92.9Very high89.1Confident18 Ų1855.1 Ų55.112%0.11730%0.304CS..PPolyproline II helixtrans-63155178.824-32.8000112.1Q206 P209 I210 Q213P173-Q206 PolarHBondContact O-NE2 3.13Å; P173-P209 HydrophobicContact CB-CB 3.9Å; P173-P209 HydrophobicContact CG-CB 3.86Å; P173-I210 HydrophobicContact CG-CB 4.3Å; P173-I210 HydrophobicContact CG-CG1 3.7Å; P173-Q213 VanDerWaalsContact CD-OE1 3.24Å
174K94.5Very high89.2Confident106 Ų10653.5 Ų53.546%0.46130%0.298SS..PPolyproline II helixtrans-65140.2176.6-68.5164.6174.7178.70109.8W156W156-K174 HydrophobicContact CD2-CB 4.11Å; W156-K174 HydrophobicContact CD2-CD 4.32Å; W156-K174 HydrophobicContact CD2-CG 4.03Å; W156-K174 HydrophobicContact CE3-CB 4.25Å; W156-K174 HydrophobicContact CG-CG 4.28Å; W156-K174 HydrophobicContact CH2-CB 3.97Å; W156-K174 HydrophobicContact CZ2-CB 3.86Å; W156-K174 HydrophobicContact CZ2-CD 3.83Å; W156-K174 HydrophobicContact CZ2-CG 4.14Å; W156-K174 HydrophobicContact CZ3-CB 4.19Å
175P95.7Very high89.4Confident4 Ų451.8 Ų51.83%0.02629%0.292CS..PPolyproline II helixtrans-70.5158.6179.228.2-34.3000112.3W156 F159 R160 R205 Q206W156-P175 HydrophobicContact CE3-CG 3.7Å; W156-P175 WeakPolarHBondContact CH2-O 3.45Å; W156-P175 HydrophobicContact CZ3-CG 3.76Å; W156-P175 WeakPolarHBondContact CZ3-O 3.05Å; F159-P175 HydrophobicContact CD1-CB 4.25Å; F159-P175 HydrophobicContact CD1-CG 3.54Å; F159-P175 HydrophobicContact CE1-CB 3.8Å; F159-P175 HydrophobicContact CE1-CG 3.6Å; R160-P175 HydrophobicContact CG-CG 4.43Å; P175-R205 CarbonylContact C-O 3.59Å; P175-R205 WeakPolarHBondContact CA-O 3.48Å; P175-R205 HydrophobicContact CB-CB 4.2Å; P175-R205 WeakPolarHBondContact CB-O 3.46Å; P175-Q206 HydrophobicContact CB-CB 4.44Å
176L95.3Very high89.5Confident13 Ų1357.2 Ų57.27%0.06832%0.317CS..PPolyproline II helixtrans-71.5129.8174-57.8167.5000110.9F159 G182 F184 R205 I208 P209F159-L176 VanDerWaalsContact CZ-O 3.29Å; F159-L176 WeakPolarHBondContact CZ-O 3.47Å; L176-G182 VanDerWaalsContact CD2-CA 3.44Å; L176-F184 HydrophobicContact CD1-CE2 4.29Å; L176-F184 HydrophobicContact CD1-CZ 3.69Å; L176-F184 HydrophobicContact CD2-CZ 4Å; L176-R205 PolarHBondContact N-O 3.39Å; L176-R205 VanDerWaalsContact O-CG 3.26Å; L176-R205 WeakPolarHBondContact O-CG 3.32Å; L176-R205 PolarHBondContact O-NH1 3.38Å; L176-R205 VanDerWaalsContact O-NH1 3.07Å; L176-I208 HydrophobicContact CD1-CB 3.94Å; L176-I208 HydrophobicContact CD1-CD1 4.17Å; L176-I208 HydrophobicContact CD1-CG2 3.99Å; L176-P209 HydrophobicContact CD1-CG 4.34Å; L176-P209 HydrophobicContact CD2-CG 4Å; L176-P209 HydrophobicContact CG-CG 3.7Å
177R94Very high89.8Confident37 Ų3759.5 Ų59.514%0.1432%0.319CS..SBendtrans-87.7-31.1173.8-41.7-173.7-37.7148.617.9112.6W143 K146 S147 L148 W156 F159 D181 R205W143-R177 PolarHBondContact O-NH1 3.32Å; K146-R177 VanDerWaalsContact O-CZ 3.27Å; K146-R177 PolarHBondContact O-NH1 3.31Å; K146-R177 PolarHBondContact O-NH2 3.02Å; S147-R177 PolarHBondContact O-NH1 3.25Å; L148-R177 HydrophobicContact CD1-CG 4.41Å; W156-R177 HydrophobicContact CH2-CG 3.7Å; W156-R177 HydrophobicContact CZ3-CG 3.87Å; F159-R177 HydrophobicContact CE2-CB 4.06Å; F159-R177 HydrophobicContact CE2-CG 4.09Å; R177-D181 WeakPolarHBondContact CB-OD2 3.34Å; R177-D181 IonicContact CZ-OD2 3.2Å; R177-D181 IonicContact NE-OD2 3.83Å; R177-D181 PolarHBondContact NE-OD2 3.37Å; R177-D181 IonicContact NH2-OD2 3.64Å; R177-R205 PolarHBondContact O-NH1 3.18Å
178S93.9Very high90Very high21 Ų2156.8 Ų56.815%0.14731%0.306CS..SBendtrans-150.6179.117073.30000108.6E180S178-E180 VanDerWaalsContact C-N 3.33Å; S178-E180 WeakPolarHBondContact CB-OE2 3.42Å; S178-E180 PolarHBondContact OG-N 3.44Å; S178-E180 PolarHBondContact OG-OE2 3.3Å
179W94.4Very high90.4Very high1 Ų151.9 Ų51.90%0.00429%0.285CS..SBendtrans-69.6-34.2177.1-63.9119.7000112.2D181 G182 F184 L189 I192 Y197 E198 P200 Q204 I208 L233W179-D181 VanDerWaalsContact C-N 3.33Å; W179-D181 PolarHBondContact O-N 3.06Å; W179-G182 PolarHBondContact O-N 3.47Å; W179-F184 AromaticContact CE3-CE2 3.97Å; W179-F184 HydrophobicContact CE3-CE2 3.97Å; W179-L189 HydrophobicContact CB-CD2 4.12Å; W179-I192 HydrophobicContact CD2-CG2 3.82Å; W179-I192 HydrophobicContact CE3-CD1 4.07Å; W179-I192 HydrophobicContact CE3-CG2 4.35Å; W179-I192 HydrophobicContact CG-CG2 4.03Å; W179-I192 HydrophobicContact CZ2-CG2 4.15Å; W179-I192 HydrophobicContact CZ3-CD1 4.34Å; W179-Y197 HydrophobicContact CZ2-CD1 4.41Å; W179-Y197 PolarHBondContact NE1-O 2.97Å; W179-E198 VanDerWaalsContact CD1-O 3.29Å; W179-E198 PolarHBondContact NE1-O 3.44Å; W179-P200 HydrophobicContact CD2-CB 4.2Å; W179-P200 HydrophobicContact CD2-CG 4.23Å; W179-P200 HydrophobicContact CE3-CB 4.18Å; W179-P200 HydrophobicContact CE3-CG 4.45Å; W179-P200 HydrophobicContact CH2-CB 3.65Å; W179-P200 HydrophobicContact CZ2-CB 3.65Å; W179-P200 HydrophobicContact CZ2-CG 4.43Å; W179-P200 HydrophobicContact CZ3-CB 3.92Å; W179-Q204 HydrophobicContact CH2-CB 4.38Å; W179-I208 HydrophobicContact CH2-CD1 4.23Å; W179-I208 HydrophobicContact CZ3-CD1 3.78Å; W179-L233 HydrophobicContact CH2-CD1 3.91Å; W179-L233 HydrophobicContact CZ3-CD1 3.67Å
180E90.5Very high91Very high109 Ų10953.9 Ų53.951%0.50929%0.286SS..G310 helixtrans-67.3-33.4-178.8-56.574.8-162.200112S178 G182 H193S178-E180 VanDerWaalsContact C-N 3.33Å; S178-E180 WeakPolarHBondContact CB-OE2 3.42Å; S178-E180 PolarHBondContact OG-N 3.44Å; S178-E180 PolarHBondContact OG-OE2 3.3Å; E180-G182 PolarHBondContact O-N 3.08Å; E180-H193 IonicContact OE1-CE1 2.69Å; E180-H193 IonicContact OE1-NE2 3.11Å
181D87.2Confident91.7Very high44 Ų4453 Ų5324%0.23527%0.274CS..G310 helixtrans-70.6-6.7176.8-77-7.4000112.9L148 R177 W179L148-D181 HydrophobicContact CD2-CB 4.39Å; R177-D181 WeakPolarHBondContact CB-OD2 3.34Å; R177-D181 IonicContact CZ-OD2 3.2Å; R177-D181 IonicContact NE-OD2 3.83Å; R177-D181 PolarHBondContact NE-OD2 3.37Å; R177-D181 IonicContact NH2-OD2 3.64Å; W179-D181 VanDerWaalsContact C-N 3.33Å; W179-D181 PolarHBondContact O-N 3.06Å
182G81.8Confident92.1Very high15 Ų1546.9 Ų46.916%0.15524%0.241CC..G310 helixtrans-85.6-7.4-174.600000116.5L176 W179 E180 F184L176-G182 VanDerWaalsContact CD2-CA 3.44Å; W179-G182 PolarHBondContact O-N 3.47Å; E180-G182 PolarHBondContact O-N 3.08Å; G182-F184 VanDerWaalsContact O-CD1 3.31Å; G182-F184 WeakPolarHBondContact O-CD1 3.43Å; G182-F184 VanDerWaalsContact O-CE1 3.28Å; G182-F184 WeakPolarHBondContact O-CE1 3.22Å; G182-F184 PolarHBondContact O-N 2.99Å
183N86.3Confident92.2Very high157 Ų15749.8 Ų49.884%0.8425%0.253SS*.  trans50.237.8-175.4-71.5-9.8000113.8
184F91.1Very high92.3Very high15 Ų1557 Ų577%0.06628%0.283CS..  trans-75.8155.4177.7-51.7-43.9000111.6L176 W179 G182 Q186 L189 I192 I208 L212 I237L176-F184 HydrophobicContact CD1-CE2 4.29Å; L176-F184 HydrophobicContact CD1-CZ 3.69Å; L176-F184 HydrophobicContact CD2-CZ 4Å; W179-F184 AromaticContact CE3-CE2 3.97Å; W179-F184 HydrophobicContact CE3-CE2 3.97Å; G182-F184 VanDerWaalsContact O-CD1 3.31Å; G182-F184 WeakPolarHBondContact O-CD1 3.43Å; G182-F184 VanDerWaalsContact O-CE1 3.28Å; G182-F184 WeakPolarHBondContact O-CE1 3.22Å; G182-F184 PolarHBondContact O-N 2.99Å; F184-Q186 PolarHBondContact O-N 3.34Å; F184-L189 HydrophobicContact CB-CD2 4.21Å; F184-L189 HydrophobicContact CB-CG 4.03Å; F184-L189 HydrophobicContact CD2-CD2 3.76Å; F184-L189 HydrophobicContact CG-CD2 4.49Å; F184-I192 HydrophobicContact CD2-CD1 4.34Å; F184-I208 HydrophobicContact CE1-CG2 3.95Å; F184-I208 HydrophobicContact CZ-CG2 3.84Å; F184-L212 HydrophobicContact CD1-CD1 4.21Å; F184-L212 HydrophobicContact CE1-CD1 3.65Å; F184-I237 HydrophobicContact CB-CD1 4.41Å; F184-I237 HydrophobicContact CD1-CD1 3.41Å; F184-I237 VanDerWaalsContact CD1-CD1 3.41Å; F184-I237 HydrophobicContact CE1-CD1 3.94Å; F184-I237 HydrophobicContact CG-CD1 4.04Å
185P91.5Very high92.1Very high56 Ų5654 Ų5436%0.36427%0.273SS..  trans-55.3140.1169.3-22.833.4000111.1E187 V188 L189 I237P185-E187 PolarHBondContact O-N 2.81Å; P185-V188 HydrophobicContact CB-CG2 4.27Å; P185-V188 HydrophobicContact CG-CG2 4.37Å; P185-V188 WeakPolarHBondContact O-CB 3.17Å; P185-V188 PolarHBondContact O-N 2.97Å; P185-L189 PolarHBondContact O-N 3.44Å; P185-L189 VanDerWaalsContact O-N 3.15Å; P185-I237 HydrophobicContact CG-CG2 4.42Å
186Q92.4Very high92Very high122 Ų12256.3 Ų56.357%0.5730%0.297SS*.Hα-helixtrans-55.3-39-176.2-171.461.941.400112.4F184 V188 L189 D190F184-Q186 PolarHBondContact O-N 3.34Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 3.38Å; Q186-L189 PolarHBondContact O-N 2.96Å; Q186-D190 PolarHBondContact NE2-OD1 3.33Å; Q186-D190 PolarHBondContact O-N 3.04Å
187E92.1Very high91.8Very high120 Ų12058.3 Ų58.356%0.56130%0.304SS*.Hα-helixtrans-58.4-37.2176.9-60.7178.6-179.500112.5P185 V191 L281P185-E187 PolarHBondContact O-N 2.81Å; E187-V191 VanDerWaalsContact O-CG2 3.26Å; E187-V191 WeakPolarHBondContact O-CG2 3.42Å; E187-V191 PolarHBondContact O-N 2.96Å; E187-L281 HydrophobicContact CB-CD2 4.11Å
188V93.2Very high91.6Very high2 Ų264.5 Ų64.51%0.01234%0.335CS..Hα-helixtrans-74-40.9178.3179.10000110.5P185 Q186 V191 I192 L233 I237 L281P185-V188 HydrophobicContact CB-CG2 4.27Å; P185-V188 HydrophobicContact CG-CG2 4.37Å; P185-V188 WeakPolarHBondContact O-CB 3.17Å; P185-V188 PolarHBondContact O-N 2.97Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 3.38Å; V188-V191 PolarHBondContact O-N 3.04Å; V188-I192 HydrophobicContact CG1-CD1 4.06Å; V188-I192 HydrophobicContact CG1-CG1 4.49Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.39Å; V188-I192 PolarHBondContact O-N 2.83Å; V188-L233 HydrophobicContact CG1-CD2 3.98Å; V188-I237 HydrophobicContact CG1-CG1 4.12Å; V188-I237 HydrophobicContact CG2-CG1 4.16Å; V188-L281 HydrophobicContact CG2-CD1 4.21Å; V188-L281 HydrophobicContact CG2-CD2 4.48Å
189L93.9Very high91.6Very high19 Ų1968.6 Ų68.610%0.09935%0.352CS..Hα-helixtrans-59.8-46174.6-72.6170.8000111.6W179 F184 P185 Q186 V191 I192 H193W179-L189 HydrophobicContact CB-CD2 4.12Å; F184-L189 HydrophobicContact CB-CD2 4.21Å; F184-L189 HydrophobicContact CB-CG 4.03Å; F184-L189 HydrophobicContact CD2-CD2 3.76Å; F184-L189 HydrophobicContact CG-CD2 4.49Å; P185-L189 PolarHBondContact O-N 3.44Å; P185-L189 VanDerWaalsContact O-N 3.15Å; Q186-L189 PolarHBondContact O-N 2.96Å; L189-V191 VanDerWaalsContact C-N 3.25Å; L189-V191 PolarHBondContact O-N 3.48Å; L189-I192 WeakPolarHBondContact O-CB 3.49Å; L189-I192 PolarHBondContact O-N 3.03Å; L189-I192 VanDerWaalsContact O-N 3.14Å; L189-H193 PolarHBondContact O-CD2 2.82Å; L189-H193 PolarHBondContact O-N 3.13Å
190D93.8Very high91.6Very high87 Ų8768.8 Ų68.847%0.46535%0.353SS..Hα-helixtrans-59.7-38.9178.7-66.5-14.5000111.2Q186 K194Q186-D190 PolarHBondContact NE2-OD1 3.33Å; Q186-D190 PolarHBondContact O-N 3.04Å; D190-K194 WeakPolarHBondContact O-CB 3.47Å; D190-K194 PolarHBondContact O-N 2.83Å
191V94.6Very high91.8Very high10 Ų1065.4 Ų65.46%0.06134%0.34CS..Hα-helixtrans-68.3-44.1175.2174.30000111.7E187 V188 L189 H193 K194 V195 F277 P280 L281E187-V191 VanDerWaalsContact O-CG2 3.26Å; E187-V191 WeakPolarHBondContact O-CG2 3.42Å; E187-V191 PolarHBondContact O-N 2.96Å; V188-V191 PolarHBondContact O-N 3.04Å; L189-V191 VanDerWaalsContact C-N 3.25Å; L189-V191 PolarHBondContact O-N 3.48Å; V191-H193 VanDerWaalsContact C-N 3.33Å; V191-H193 PolarHBondContact O-N 2.78Å; V191-K194 PolarHBondContact O-N 2.72Å; V191-V195 HydrophobicContact CG1-CG2 4.14Å; V191-V195 VanDerWaalsContact O-CG2 3.28Å; V191-V195 WeakPolarHBondContact O-CG2 3.43Å; V191-V195 PolarHBondContact O-N 3.36Å; V191-F277 HydrophobicContact CG1-CD1 3.83Å; V191-P280 HydrophobicContact CG1-CG 4.35Å; V191-P280 HydrophobicContact CG2-CB 3.61Å; V191-P280 HydrophobicContact CG2-CG 4.24Å; V191-L281 HydrophobicContact CG2-CD2 4.02Å; V191-L281 HydrophobicContact CG2-CG 4.17Å
192I94.5Very high92.1Very high1 Ų165 Ų651%0.00534%0.34CS..Hα-helixtrans-54.9-49.6176.6-70.5165.3000110.5W179 F184 V188 L189 V195 G196 Y197 L233 F277W179-I192 HydrophobicContact CD2-CG2 3.82Å; W179-I192 HydrophobicContact CE3-CD1 4.07Å; W179-I192 HydrophobicContact CE3-CG2 4.35Å; W179-I192 HydrophobicContact CG-CG2 4.03Å; W179-I192 HydrophobicContact CZ2-CG2 4.15Å; W179-I192 HydrophobicContact CZ3-CD1 4.34Å; F184-I192 HydrophobicContact CD2-CD1 4.34Å; V188-I192 HydrophobicContact CG1-CD1 4.06Å; V188-I192 HydrophobicContact CG1-CG1 4.49Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.39Å; V188-I192 PolarHBondContact O-N 2.83Å; L189-I192 WeakPolarHBondContact O-CB 3.49Å; L189-I192 PolarHBondContact O-N 3.03Å; L189-I192 VanDerWaalsContact O-N 3.14Å; I192-V195 PolarHBondContact O-N 3.2Å; I192-G196 PolarHBondContact O-N 2.83Å; I192-Y197 PolarHBondContact O-N 3.17Å; I192-Y197 VanDerWaalsContact O-N 3.14Å; I192-L233 HydrophobicContact CD1-CD1 4.05Å; I192-L233 HydrophobicContact CD1-CD2 3.88Å; I192-L233 HydrophobicContact CG1-CD1 4.36Å; I192-L233 HydrophobicContact CG1-CD2 3.86Å; I192-F277 HydrophobicContact CG1-CE1 4.02Å
193H93.3Very high92.7Very high89 Ų8964.3 Ų64.341%0.41233%0.332SS..Hα-helixtrans-66.8-39.8178.3-68-62.6000112.3E180 L189 V191 V195 G196E180-H193 IonicContact OE1-CE1 2.69Å; E180-H193 IonicContact OE1-NE2 3.11Å; L189-H193 PolarHBondContact O-CD2 2.82Å; L189-H193 PolarHBondContact O-N 3.13Å; V191-H193 VanDerWaalsContact C-N 3.33Å; V191-H193 PolarHBondContact O-N 2.78Å; H193-V195 PolarHBondContact O-N 3.37Å; H193-G196 PolarHBondContact O-N 3.02Å; H193-G196 VanDerWaalsContact O-N 3.11Å
194K93.6Very high93.2Very high170 Ų17056.9 Ų56.974%0.73929%0.292SS*.Hα-helixtrans-65.2-35.8178.7-176.6177.8178.9-179.60113.1D190 V191D190-K194 WeakPolarHBondContact O-CB 3.47Å; D190-K194 PolarHBondContact O-N 2.83Å; V191-K194 PolarHBondContact O-N 2.72Å
195V91.9Very high93.5Very high43 Ų4356.3 Ų56.326%0.26129%0.29SS..Hα-helixtrans-72.7-21.7175.7178.80000111.2V191 I192 H193 Y197 K276 F277V191-V195 HydrophobicContact CG1-CG2 4.14Å; V191-V195 VanDerWaalsContact O-CG2 3.28Å; V191-V195 WeakPolarHBondContact O-CG2 3.43Å; V191-V195 PolarHBondContact O-N 3.36Å; I192-V195 PolarHBondContact O-N 3.2Å; H193-V195 PolarHBondContact O-N 3.37Å; V195-Y197 HydrophobicContact CB-CD2 4.16Å; V195-Y197 HydrophobicContact CG1-CD2 3.73Å; V195-Y197 HydrophobicContact CG1-CE2 3.63Å; V195-K276 HydrophobicContact CG1-CB 4.35Å; V195-K276 HydrophobicContact CG1-CD 4.23Å; V195-K276 HydrophobicContact CG2-CB 4.14Å; V195-F277 HydrophobicContact CB-CZ 4.36Å; V195-F277 HydrophobicContact CG1-CE2 4.16Å; V195-F277 HydrophobicContact CG1-CZ 4.19Å; V195-F277 HydrophobicContact CG2-CD1 4.48Å; V195-F277 HydrophobicContact CG2-CE1 4.43Å
196G92.2Very high93.7Very high51 Ų5153.7 Ų53.753%0.52627%0.273SS..THydrogen-bonded Turntrans99.921.7175.500000114.4I192 H193 E198I192-G196 PolarHBondContact O-N 2.83Å; H193-G196 PolarHBondContact O-N 3.02Å; H193-G196 VanDerWaalsContact O-N 3.11Å; G196-E198 PolarHBondContact O-N 3.46Å
197Y91.2Very high93.9Very high55 Ų5547.9 Ų47.922%0.21625%0.246CC..  trans-82.886.7173.3-79.6-100000109.8W179 I192 V195 A229 E273 F277W179-Y197 HydrophobicContact CZ2-CD1 4.41Å; W179-Y197 PolarHBondContact NE1-O 2.97Å; I192-Y197 PolarHBondContact O-N 3.17Å; I192-Y197 VanDerWaalsContact O-N 3.14Å; V195-Y197 HydrophobicContact CB-CD2 4.16Å; V195-Y197 HydrophobicContact CG1-CD2 3.73Å; V195-Y197 HydrophobicContact CG1-CE2 3.63Å; Y197-A229 HydrophobicContact CE1-CB 4.17Å; Y197-E273 VanDerWaalsContact CE2-OE1 3.28Å; Y197-E273 WeakPolarHBondContact CE2-OE1 3.37Å; Y197-E273 PolarHBondContact OH-OE1 2.84Å; Y197-F277 HydrophobicContact CD2-CE2 4.22Å; Y197-F277 AromaticContact CD2-CZ 3.58Å; Y197-F277 HydrophobicContact CD2-CZ 3.58Å; Y197-F277 AromaticContact CE2-CE2 3.67Å; Y197-F277 HydrophobicContact CE2-CE2 3.67Å; Y197-F277 AromaticContact CE2-CZ 3.51Å; Y197-F277 HydrophobicContact CE2-CZ 3.51Å; Y197-F277 HydrophobicContact CG-CZ 4.28Å
198E91.3Very high94.1Very high168 Ų16842.2 Ų42.279%0.78522%0.219SC*.  trans-65.1-41.3-177.9-64.2-176.8170.400113.1W179 G196W179-E198 VanDerWaalsContact CD1-O 3.29Å; W179-E198 PolarHBondContact NE1-O 3.44Å; G196-E198 PolarHBondContact O-N 3.46Å
199E92.8Very high94.2Very high107 Ų10742.9 Ų42.950%0.522%0.224SC..SBendtrans-138.1142.8-175.9-79.1-7516500110.5T201 R205E199-T201 PolarHBondContact O-N 3.21Å; E199-R205 IonicContact OE2-CZ 2.7Å; E199-R205 IonicContact OE2-NH2 3.76Å; E199-R205 PolarHBondContact OE2-NH2 3.46Å
200P95.4Very high94.3Very high4 Ų442 Ų423%0.02622%0.219CC..  trans-67.2137.517623.2-28000110.8W179 Q204 R205W179-P200 HydrophobicContact CD2-CB 4.2Å; W179-P200 HydrophobicContact CD2-CG 4.23Å; W179-P200 HydrophobicContact CE3-CB 4.18Å; W179-P200 HydrophobicContact CE3-CG 4.45Å; W179-P200 HydrophobicContact CH2-CB 3.65Å; W179-P200 HydrophobicContact CZ2-CB 3.65Å; W179-P200 HydrophobicContact CZ2-CG 4.43Å; W179-P200 HydrophobicContact CZ3-CB 3.92Å; P200-Q204 HydrophobicContact CB-CB 4.16Å; P200-R205 HydrophobicContact CB-CG 3.74Å; P200-R205 HydrophobicContact CG-CG 3.82Å; P200-R205 PolarHBondContact O-NE 3.02Å; P200-R205 PolarHBondContact O-NH2 3.4Å
201T94Very high94.3Very high38 Ų3837.8 Ų37.823%0.23320%0.197CC..  trans-71.8160172.560.90000110.9E199 I203 Q204 R205 S225E199-T201 PolarHBondContact O-N 3.21Å; T201-I203 VanDerWaalsContact C-N 3.25Å; T201-I203 PolarHBondContact O-N 2.88Å; T201-I203 VanDerWaalsContact O-N 3.13Å; T201-Q204 WeakPolarHBondContact O-CB 3.46Å; T201-Q204 PolarHBondContact O-N 2.85Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.34Å; T201-Q204 PolarHBondContact OG1-NE2 2.9Å; T201-Q204 PolarHBondContact OG1-OE1 2.77Å; T201-Q204 VanDerWaalsContact OG1-OE1 3.07Å; T201-R205 VanDerWaalsContact O-CG 3.32Å; T201-R205 WeakPolarHBondContact O-CG 3.44Å; T201-R205 PolarHBondContact O-N 3.2Å; T201-S225 VanDerWaalsContact CB-O 3.3Å; T201-S225 WeakPolarHBondContact CB-O 3.47Å; T201-S225 PolarHBondContact OG1-O 3.26Å
202P93.5Very high94.2Very high37 Ų3739.2 Ų39.224%0.2420%0.204CC..Hα-helixtrans-50.8-41.3-178.9-30.136.3000114.4Y163 I165 I414Y163-P202 HydrophobicContact CD1-CG 4.01Å; I165-P202 HydrophobicContact CD1-CB 4.3Å; I165-P202 VanDerWaalsContact CD1-O 3.3Å; I165-P202 WeakPolarHBondContact CD1-O 3.26Å; I165-P202 HydrophobicContact CG1-CB 4.18Å; P202-I414 HydrophobicContact CB-CD1 3.94Å; P202-I414 HydrophobicContact CB-CG2 3.75Å; P202-I414 HydrophobicContact CG-CG2 4.43Å
203I94.3Very high94.1Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-68.1-41.7177.8-16661.1000111.8T201 R205 Q206 A207 A221 S225 A230 F390 V412 I414T201-I203 VanDerWaalsContact C-N 3.25Å; T201-I203 PolarHBondContact O-N 2.88Å; T201-I203 VanDerWaalsContact O-N 3.13Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.16Å; I203-Q206 PolarHBondContact O-N 2.92Å; I203-A207 HydrophobicContact CD1-CB 4.48Å; I203-A207 HydrophobicContact CG1-CB 4.44Å; I203-A207 WeakPolarHBondContact O-CB 3.17Å; I203-A207 PolarHBondContact O-N 3.06Å; I203-A221 HydrophobicContact CD1-CB 4.38Å; I203-A221 HydrophobicContact CG1-CB 4.44Å; I203-S225 WeakPolarHBondContact CG2-O 3.4Å; I203-A230 HydrophobicContact CG2-CB 4.25Å; I203-F390 HydrophobicContact CD1-CE1 3.97Å; I203-F390 HydrophobicContact CG1-CE1 3.7Å; I203-F390 HydrophobicContact CG1-CZ 4.45Å; I203-V412 HydrophobicContact CD1-CB 4.22Å; I203-V412 HydrophobicContact CD1-CG1 3.84Å; I203-I414 HydrophobicContact CB-CD1 4.34Å; I203-I414 HydrophobicContact CB-CG1 3.9Å; I203-I414 HydrophobicContact CD1-CD1 4.14Å; I203-I414 HydrophobicContact CD1-CG1 3.64Å; I203-I414 HydrophobicContact CG1-CG1 4.31Å
204Q96.5Very high94.1Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-63.1-42.9178.5-71.6161.9-1.300111W179 P200 T201 Q206 I208 G226 A230W179-Q204 HydrophobicContact CH2-CB 4.38Å; P200-Q204 HydrophobicContact CB-CB 4.16Å; T201-Q204 WeakPolarHBondContact O-CB 3.46Å; T201-Q204 PolarHBondContact O-N 2.85Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.34Å; T201-Q204 PolarHBondContact OG1-NE2 2.9Å; T201-Q204 PolarHBondContact OG1-OE1 2.77Å; T201-Q204 VanDerWaalsContact OG1-OE1 3.07Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 3Å; Q204-I208 HydrophobicContact CB-CD1 3.74Å; Q204-I208 HydrophobicContact CB-CG1 4.43Å; Q204-I208 HydrophobicContact CG-CD1 4.24Å; Q204-I208 VanDerWaalsContact O-CB 3.31Å; Q204-I208 WeakPolarHBondContact O-CB 3.29Å; Q204-I208 WeakPolarHBondContact O-CD1 3.12Å; Q204-I208 VanDerWaalsContact O-CG1 3.25Å; Q204-I208 WeakPolarHBondContact O-CG1 3.4Å; Q204-I208 PolarHBondContact O-N 2.84Å; Q204-I208 VanDerWaalsContact O-N 3.09Å; Q204-G226 WeakPolarHBondContact CG-O 3.43Å; Q204-G226 PolarHBondContact NE2-O 3.02Å; Q204-A230 HydrophobicContact CB-CB 4.39Å; Q204-A230 HydrophobicContact CG-CB 3.73Å
205R96.8Very high94.1Very high4 Ų427.6 Ų27.62%0.01515%0.152CC..Hα-helixtrans-53.4-43.5-179.8-69.3174.4-176.8-82.1-3.2112.1Y163 I165 P175 L176 R177 E199 P200 T201 I203 P209Y163-R205 VanDerWaalsContact OH-CZ 3.32Å; Y163-R205 PolarHBondContact OH-NH2 2.71Å; I165-R205 HydrophobicContact CD1-CB 4.47Å; P175-R205 CarbonylContact C-O 3.59Å; P175-R205 WeakPolarHBondContact CA-O 3.48Å; P175-R205 HydrophobicContact CB-CB 4.2Å; P175-R205 WeakPolarHBondContact CB-O 3.46Å; L176-R205 PolarHBondContact N-O 3.39Å; L176-R205 VanDerWaalsContact O-CG 3.26Å; L176-R205 WeakPolarHBondContact O-CG 3.32Å; L176-R205 PolarHBondContact O-NH1 3.38Å; L176-R205 VanDerWaalsContact O-NH1 3.07Å; R177-R205 PolarHBondContact O-NH1 3.18Å; E199-R205 IonicContact OE2-CZ 2.7Å; E199-R205 IonicContact OE2-NH2 3.76Å; E199-R205 PolarHBondContact OE2-NH2 3.46Å; P200-R205 HydrophobicContact CB-CG 3.74Å; P200-R205 HydrophobicContact CG-CG 3.82Å; P200-R205 PolarHBondContact O-NE 3.02Å; P200-R205 PolarHBondContact O-NH2 3.4Å; T201-R205 VanDerWaalsContact O-CG 3.32Å; T201-R205 WeakPolarHBondContact O-CG 3.44Å; T201-R205 PolarHBondContact O-N 3.2Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.16Å; R205-P209 VanDerWaalsContact O-CD 3.24Å; R205-P209 WeakPolarHBondContact O-CD 3.48Å; R205-P209 WeakPolarHBondContact O-CG 3.09Å
206Q95.8Very high94.3Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-95.7-37.1-176.3-172.6607900113.3I165 I167 P173 P175 I203 Q204 I210 V412I165-Q206 HydrophobicContact CD1-CB 4.29Å; I165-Q206 HydrophobicContact CG2-CB 3.97Å; I165-Q206 HydrophobicContact CG2-CG 4Å; I167-Q206 HydrophobicContact CG2-CG 3.84Å; P173-Q206 PolarHBondContact O-NE2 3.13Å; P175-Q206 HydrophobicContact CB-CB 4.44Å; I203-Q206 PolarHBondContact O-N 2.92Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 3Å; Q206-I210 HydrophobicContact CG-CD1 4.08Å; Q206-I210 WeakPolarHBondContact O-CD1 3.03Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.49Å; Q206-V412 HydrophobicContact CB-CG1 3.95Å; Q206-V412 HydrophobicContact CG-CG1 3.86Å; Q206-V412 HydrophobicContact CG-CG2 3.89Å
207A96.8Very high94.5Very high1 Ų123.4 Ų23.41%0.00812%0.116CC..Hα-helixtrans-75.5-34.2-175.800000113.3I203 I210 G211 I217 A230I203-A207 HydrophobicContact CD1-CB 4.48Å; I203-A207 HydrophobicContact CG1-CB 4.44Å; I203-A207 WeakPolarHBondContact O-CB 3.17Å; I203-A207 PolarHBondContact O-N 3.06Å; A207-I210 PolarHBondContact O-N 2.85Å; A207-G211 PolarHBondContact O-N 3.47Å; A207-I217 HydrophobicContact CB-CD1 4.41Å; A207-I217 WeakPolarHBondContact O-CD1 3.25Å; A207-A230 HydrophobicContact CB-CB 4.24Å
208I96.8Very high94.6Very high0 Ų021.1 Ų21.10%011%0.108CC..Hα-helixtrans-63.6-49.2-179-65.9168.3000111.6L176 W179 F184 Q204 I210 G211 L212 L233 P234L176-I208 HydrophobicContact CD1-CB 3.94Å; L176-I208 HydrophobicContact CD1-CD1 4.17Å; L176-I208 HydrophobicContact CD1-CG2 3.99Å; W179-I208 HydrophobicContact CH2-CD1 4.23Å; W179-I208 HydrophobicContact CZ3-CD1 3.78Å; F184-I208 HydrophobicContact CE1-CG2 3.95Å; F184-I208 HydrophobicContact CZ-CG2 3.84Å; Q204-I208 HydrophobicContact CB-CD1 3.74Å; Q204-I208 HydrophobicContact CB-CG1 4.43Å; Q204-I208 HydrophobicContact CG-CD1 4.24Å; Q204-I208 VanDerWaalsContact O-CB 3.31Å; Q204-I208 WeakPolarHBondContact O-CB 3.29Å; Q204-I208 WeakPolarHBondContact O-CD1 3.12Å; Q204-I208 VanDerWaalsContact O-CG1 3.25Å; Q204-I208 WeakPolarHBondContact O-CG1 3.4Å; Q204-I208 PolarHBondContact O-N 2.84Å; Q204-I208 VanDerWaalsContact O-N 3.09Å; I208-I210 VanDerWaalsContact C-N 3.31Å; I208-I210 PolarHBondContact O-N 3.3Å; I208-G211 WeakPolarHBondContact O-CA 3.27Å; I208-G211 PolarHBondContact O-N 3.11Å; I208-L212 HydrophobicContact CG2-CD1 4.1Å; I208-L212 WeakPolarHBondContact O-CG 3.24Å; I208-L212 PolarHBondContact O-N 3.18Å; I208-L233 HydrophobicContact CD1-CB 4.29Å; I208-L233 HydrophobicContact CD1-CD1 3.63Å; I208-P234 HydrophobicContact CB-CG 4.42Å; I208-P234 HydrophobicContact CG1-CG 4.46Å; I208-P234 HydrophobicContact CG2-CG 4.21Å
209P95.3Very high94.7Very high16 Ų1613.1 Ų13.110%0.1047%0.07CC..Hα-helixtrans-58.8-39.3175.5-27.636.9000113.6P173 L176 R205 G211 L212 Q213P173-P209 HydrophobicContact CB-CB 3.9Å; P173-P209 HydrophobicContact CG-CB 3.86Å; L176-P209 HydrophobicContact CD1-CG 4.34Å; L176-P209 HydrophobicContact CD2-CG 4Å; L176-P209 HydrophobicContact CG-CG 3.7Å; R205-P209 VanDerWaalsContact O-CD 3.24Å; R205-P209 WeakPolarHBondContact O-CD 3.48Å; R205-P209 WeakPolarHBondContact O-CG 3.09Å; P209-G211 VanDerWaalsContact C-N 3.28Å; P209-G211 PolarHBondContact O-N 3.35Å; P209-L212 PolarHBondContact O-N 3.19Å; P209-Q213 PolarHBondContact O-N 2.97Å
210I95.3Very high94.6Very high0 Ų08.2 Ų8.20%05%0.047CC..Hα-helixtrans-64.7-40175.2-57.9161.5000110.1V172 P173 Q206 A207 I208 L212 Q213 R215 I217 V410 V412V172-I210 HydrophobicContact CG1-CD1 4.04Å; V172-I210 HydrophobicContact CG1-CG1 4.12Å; P173-I210 HydrophobicContact CG-CB 4.3Å; P173-I210 HydrophobicContact CG-CG1 3.7Å; Q206-I210 HydrophobicContact CG-CD1 4.08Å; Q206-I210 WeakPolarHBondContact O-CD1 3.03Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.49Å; A207-I210 PolarHBondContact O-N 2.85Å; I208-I210 VanDerWaalsContact C-N 3.31Å; I208-I210 PolarHBondContact O-N 3.3Å; I210-L212 VanDerWaalsContact C-N 3.33Å; I210-L212 PolarHBondContact O-N 2.8Å; I210-Q213 PolarHBondContact O-N 3.22Å; I210-R215 HydrophobicContact CG2-CB 3.66Å; I210-R215 PolarHBondContact O-N 3.14Å; I210-I217 HydrophobicContact CB-CD1 3.8Å; I210-I217 HydrophobicContact CB-CG1 4.08Å; I210-I217 HydrophobicContact CG2-CD1 3.77Å; I210-I217 HydrophobicContact CG2-CG1 3.5Å; I210-V410 HydrophobicContact CD1-CB 4.01Å; I210-V410 HydrophobicContact CD1-CG1 3.59Å; I210-V410 HydrophobicContact CD1-CG2 4.46Å; I210-V410 HydrophobicContact CG1-CG1 4.48Å; I210-V410 HydrophobicContact CG2-CB 4.09Å; I210-V410 HydrophobicContact CG2-CG2 3.86Å; I210-V412 HydrophobicContact CD1-CG2 3.55Å
211G94.6Very high94.1Very high0 Ų08.2 Ų8.20%05%0.048CC..Hα-helixtrans-54.1-48.7175.600000112.2A207 I208 P209 Q213 N214 Q386A207-G211 PolarHBondContact O-N 3.47Å; I208-G211 WeakPolarHBondContact O-CA 3.27Å; I208-G211 PolarHBondContact O-N 3.11Å; P209-G211 VanDerWaalsContact C-N 3.28Å; P209-G211 PolarHBondContact O-N 3.35Å; G211-Q213 PolarHBondContact O-N 3.12Å; G211-N214 PolarHBondContact O-N 2.95Å; G211-Q386 VanDerWaalsContact CA-NE2 3.3Å; G211-Q386 PolarHBondContact O-NE2 3.13Å; G211-Q386 PolarHBondContact O-OE1 3.46Å
212L93.2Very high93.1Very high39 Ų3910.6 Ų10.620%0.2046%0.056CC..Hα-helixtrans-70.4-16.4-178.3-68.7171.8000114.2F184 I208 P209 I210 N214 P234 I237 L375F184-L212 HydrophobicContact CD1-CD1 4.21Å; F184-L212 HydrophobicContact CE1-CD1 3.65Å; I208-L212 HydrophobicContact CG2-CD1 4.1Å; I208-L212 WeakPolarHBondContact O-CG 3.24Å; I208-L212 PolarHBondContact O-N 3.18Å; P209-L212 PolarHBondContact O-N 3.19Å; I210-L212 VanDerWaalsContact C-N 3.33Å; I210-L212 PolarHBondContact O-N 2.8Å; L212-N214 VanDerWaalsContact C-N 3.28Å; L212-P234 HydrophobicContact CD2-CB 4.24Å; L212-P234 HydrophobicContact CG-CB 4.42Å; L212-I237 HydrophobicContact CD1-CD1 4.35Å; L212-I237 HydrophobicContact CD2-CB 4.09Å; L212-I237 HydrophobicContact CD2-CD1 3.91Å; L212-I237 HydrophobicContact CD2-CG2 3.83Å; L212-L375 WeakPolarHBondContact O-CD2 3.43Å
213Q91.6Very high92.1Very high16 Ų1610.8 Ų10.88%0.0756%0.057CC..THydrogen-bonded Turntrans-88.39.7170.1-67.9-177.9-21.800113.2P173 P209 I210 G211 R215 E371 L374P173-Q213 VanDerWaalsContact CD-OE1 3.24Å; P209-Q213 PolarHBondContact O-N 2.97Å; I210-Q213 PolarHBondContact O-N 3.22Å; G211-Q213 PolarHBondContact O-N 3.12Å; Q213-R215 HydrophobicContact CB-CG 4.2Å; Q213-R215 PolarHBondContact O-N 3.42Å; Q213-R215 VanDerWaalsContact O-N 3.12Å; Q213-E371 HydrophobicContact CG-CG 4.34Å; Q213-E371 PolarHBondContact NE2-OE1 3.09Å; Q213-E371 PolarHBondContact NE2-OE2 2.94Å; Q213-L374 WeakPolarHBondContact O-CB 3.48Å; Q213-L374 WeakPolarHBondContact O-CD1 3.29Å
214N93.9Very high91.1Very high1 Ų114.1 Ų14.11%0.0059%0.092CC..THydrogen-bonded Turntrans60.313.8-174.9-153.82.1000114.9G211 L212 K362 L374 F378 Y384 Q386G211-N214 PolarHBondContact O-N 2.95Å; L212-N214 VanDerWaalsContact C-N 3.28Å; N214-K362 WeakPolarHBondContact O-CE 3.32Å; N214-K362 PolarHBondContact O-NZ 3.45Å; N214-L374 HydrophobicContact CB-CB 4.32Å; N214-F378 HydrophobicContact CB-CD2 3.51Å; N214-F378 HydrophobicContact CB-CE2 3.73Å; N214-Y384 PolarHBondContact ND2-O 3.11Å; N214-Y384 VanDerWaalsContact ND2-O 3.13Å; N214-Y384 PolarHBondContact OD1-O 3Å; N214-Q386 VanDerWaalsContact C-NE2 3.34Å; N214-Q386 WeakPolarHBondContact OD1-CB 3.39Å
215R93.8Very high90.4Very high0 Ų015.4 Ų15.40%010%0.101CC..  trans-79.2145-176.7-71-175.366.9-1726.9111.9G170 N171 I210 Q213 L374 Q386G170-R215 PolarHBondContact O-NH1 3.28Å; G170-R215 PolarHBondContact O-NH2 3.24Å; N171-R215 PolarHBondContact O-NH1 3.31Å; I210-R215 HydrophobicContact CG2-CB 3.66Å; I210-R215 PolarHBondContact O-N 3.14Å; Q213-R215 HydrophobicContact CB-CG 4.2Å; Q213-R215 PolarHBondContact O-N 3.42Å; Q213-R215 VanDerWaalsContact O-N 3.12Å; R215-L374 HydrophobicContact CG-CD1 3.53Å; R215-Q386 WeakPolarHBondContact O-CG 3.26Å; R215-Q386 PolarHBondContact O-NE2 2.7Å
216D95.6Very high90Very high2 Ų215.9 Ų15.91%0.01111%0.107CC..  trans-69.5146.5175.5-75.75.6000110.7K362 Q386 T387 L406 R407 P409 V410D216-K362 IonicContact OD1-NZ 3.58Å; D216-K362 PolarHBondContact OD1-NZ 3.49Å; D216-Q386 WeakPolarHBondContact OD1-CA 3.45Å; D216-T387 WeakPolarHBondContact CA-O 3.44Å; D216-T387 WeakPolarHBondContact CB-O 3.49Å; D216-T387 PolarHBondContact OD1-N 2.84Å; D216-L406 HydrophobicContact CB-CB 4.16Å; D216-L406 HydrophobicContact CB-CD2 4.11Å; D216-L406 HydrophobicContact CB-CG 4.45Å; D216-L406 WeakPolarHBondContact OD2-CA 3.49Å; D216-R407 PolarHBondContact OD2-N 3.02Å; D216-P409 HydrophobicContact CB-CB 3.95Å; D216-P409 CarbonylContact O-C 3.5Å; D216-P409 VanDerWaalsContact O-CA 3.24Å; D216-P409 WeakPolarHBondContact O-CA 3.36Å; D216-V410 PolarHBondContact O-N 3Å
217I95.6Very high89.8Confident4 Ų416.4 Ų16.42%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-132136.2-171.2-58.3170.4000110.7A207 I210 T387 V388 M389 L406 V410A207-I217 HydrophobicContact CB-CD1 4.41Å; A207-I217 WeakPolarHBondContact O-CD1 3.25Å; I210-I217 HydrophobicContact CB-CD1 3.8Å; I210-I217 HydrophobicContact CB-CG1 4.08Å; I210-I217 HydrophobicContact CG2-CD1 3.77Å; I210-I217 HydrophobicContact CG2-CG1 3.5Å; I217-T387 PolarHBondContact N-O 2.88Å; I217-T387 VanDerWaalsContact N-O 3.14Å; I217-V388 HydrophobicContact CB-CG1 4.14Å; I217-V388 HydrophobicContact CB-CG2 4.31Å; I217-V388 HydrophobicContact CD1-CG2 4.43Å; I217-V388 CarbonylContact O-C 3.46Å; I217-V388 WeakPolarHBondContact O-CA 3.43Å; I217-M389 PolarHBondContact O-N 2.96Å; I217-L406 WeakPolarHBondContact O-CD2 3.37Å; I217-V410 CarbonylContact C-O 3.55Å; I217-V410 WeakPolarHBondContact CA-O 3.44Å
218I94.7Very high89.6Confident6 Ų617.8 Ų17.83%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-112.2105161.6-55.7176000108V220 M389 M394 A402 L406 P409 V410 V411 V412I218-V220 HydrophobicContact CG2-CG2 4.21Å; I218-M389 CarbonylContact C-O 3.53Å; I218-M389 VanDerWaalsContact CA-O 3.27Å; I218-M389 WeakPolarHBondContact CA-O 3.46Å; I218-M394 HydrophobicContact CD1-CE 4.38Å; I218-M394 HydrophobicContact CG2-CE 4.24Å; I218-M394 HydrophobicContact CG2-SD 3.75Å; I218-A402 HydrophobicContact CD1-CB 3.58Å; I218-A402 HydrophobicContact CG1-CB 4.5Å; I218-L406 HydrophobicContact CG1-CD2 3.72Å; I218-P409 HydrophobicContact CD1-CB 4.33Å; I218-P409 HydrophobicContact CD1-CG 3.85Å; I218-P409 HydrophobicContact CG1-CB 4.05Å; I218-P409 HydrophobicContact CG1-CG 4.13Å; I218-V410 PolarHBondContact N-O 2.88Å; I218-V411 HydrophobicContact CB-CB 4.42Å; I218-V411 HydrophobicContact CB-CG1 4.05Å; I218-V411 HydrophobicContact CB-CG2 4.23Å; I218-V411 HydrophobicContact CD1-CG2 4.19Å; I218-V411 HydrophobicContact CG2-CG1 4.11Å; I218-V411 CarbonylContact O-C 3.6Å; I218-V411 VanDerWaalsContact O-CA 3.31Å; I218-V411 WeakPolarHBondContact O-CA 3.43Å; I218-V412 PolarHBondContact O-N 3.28Å
219G93Very high89.5Confident0 Ų017.9 Ų17.90%012%0.118CC..EExtended strand (participates in β ladder)trans-94.2111.817600000111.4M389 F390 T391 V412G219-M389 PolarHBondContact N-O 3.31Å; G219-F390 VanDerWaalsContact O-CA 3.29Å; G219-F390 WeakPolarHBondContact O-CA 3.5Å; G219-F390 WeakPolarHBondContact O-CD1 3.41Å; G219-T391 PolarHBondContact O-N 3.01Å; G219-V412 CarbonylContact C-O 3.59Å
220V89.4Confident89.6Confident4 Ų417.2 Ų17.22%0.02411%0.114CC..EExtended strand (participates in β ladder)trans-97.398.5175.6-170.70000108.7I218 T391 M394 V411 V412 Y413 I414 V417I218-V220 HydrophobicContact CG2-CG2 4.21Å; V220-T391 VanDerWaalsContact CA-O 3.27Å; V220-T391 WeakPolarHBondContact CA-O 3.37Å; V220-T391 HydrophobicContact CG2-CG2 4.01Å; V220-M394 HydrophobicContact CG1-CG 4.48Å; V220-M394 HydrophobicContact CG2-CG 3.53Å; V220-M394 HydrophobicContact CG2-SD 3.97Å; V220-V411 HydrophobicContact CG2-CG1 4.14Å; V220-V412 PolarHBondContact N-O 2.92Å; V220-Y413 HydrophobicContact CB-CD1 3.52Å; V220-Y413 HydrophobicContact CB-CE1 4.03Å; V220-Y413 HydrophobicContact CB-CG 4.27Å; V220-Y413 HydrophobicContact CG1-CD1 3.87Å; V220-Y413 HydrophobicContact CG1-CE1 4.28Å; V220-Y413 HydrophobicContact CG2-CD1 3.63Å; V220-Y413 HydrophobicContact CG2-CE1 3.61Å; V220-Y413 HydrophobicContact CG2-CG 4.44Å; V220-I414 PolarHBondContact O-N 3.17Å; V220-V417 HydrophobicContact CG1-CG1 4.22Å
221A85.4Confident89.6Confident5 Ų517.2 Ų17.24%0.04111%0.114CC..  trans-155.4148.9-177.500000111.2I203 S225 K227 T391 I414I203-A221 HydrophobicContact CD1-CB 4.38Å; I203-A221 HydrophobicContact CG1-CB 4.44Å; A221-S225 VanDerWaalsContact CB-OG 3.31Å; A221-S225 WeakPolarHBondContact CB-OG 3.46Å; A221-K227 HydrophobicContact CB-CD 4.34Å; A221-K227 HydrophobicContact CB-CG 4.36Å; A221-T391 PolarHBondContact N-O 3Å; A221-T391 VanDerWaalsContact N-O 3.08Å; A221-I414 HydrophobicContact CB-CB 4.02Å; A221-I414 HydrophobicContact CB-CG1 4.08Å
222E73.4Confident89.7Confident87 Ų8717.3 Ų17.341%0.40711%0.114SC..  trans-69.8162.9179.7-62.2-178.8170.300112.5S225E222-S225 VanDerWaalsContact O-CB 3.3Å; E222-S225 WeakPolarHBondContact O-CB 3.35Å; E222-S225 PolarHBondContact O-N 3.28Å; E222-S225 PolarHBondContact O-OG 3.47Å; E222-S225 VanDerWaalsContact O-OG 3.08Å
223T71.4Confident89.8Confident41 Ų4115.5 Ų15.525%0.25211%0.105SC..THydrogen-bonded Turntrans-60.7140.2172.253.90000111.2S225 E336 R542T223-S225 VanDerWaalsContact C-N 3.31Å; T223-E336 WeakPolarHBondContact CG2-OE1 3.48Å; T223-R542 PolarHBondContact OG1-NH2 3.17Å
224G74.1Confident89.9Confident71 Ų7114.8 Ų14.873%0.73210%0.102SC*.THydrogen-bonded Turntrans84.3-1-177.300000114.4G226G224-G226 PolarHBondContact O-N 3.14Å; G224-G226 VanDerWaalsContact O-N 3.16Å
225S82.9Confident89.9Confident27 Ų2714.8 Ų14.819%0.18910%0.102CC..SBendtrans-74.84.4176.677.60000114.4T201 I203 A221 E222 T223 K227T201-S225 VanDerWaalsContact CB-O 3.3Å; T201-S225 WeakPolarHBondContact CB-O 3.47Å; T201-S225 PolarHBondContact OG1-O 3.26Å; I203-S225 WeakPolarHBondContact CG2-O 3.4Å; A221-S225 VanDerWaalsContact CB-OG 3.31Å; A221-S225 WeakPolarHBondContact CB-OG 3.46Å; E222-S225 VanDerWaalsContact O-CB 3.3Å; E222-S225 WeakPolarHBondContact O-CB 3.35Å; E222-S225 PolarHBondContact O-N 3.28Å; E222-S225 PolarHBondContact O-OG 3.47Å; E222-S225 VanDerWaalsContact O-OG 3.08Å; T223-S225 VanDerWaalsContact C-N 3.31Å; S225-K227 WeakPolarHBondContact OG-CG 3.4Å
226G87.6Confident89.9Confident14 Ų1414.9 Ų14.914%0.14410%0.102CC..SBendtrans87.517.8-177.400000115.7Q204 G224 T228 A230Q204-G226 WeakPolarHBondContact CG-O 3.43Å; Q204-G226 PolarHBondContact NE2-O 3.02Å; G224-G226 PolarHBondContact O-N 3.14Å; G224-G226 VanDerWaalsContact O-N 3.16Å; G226-T228 VanDerWaalsContact C-N 3.31Å; G226-T228 PolarHBondContact O-N 2.87Å; G226-A230 PolarHBondContact O-N 2.75Å
227K91.4Very high89.8Confident11 Ų1115.4 Ų15.45%0.04811%0.105CC..Hα-helixtrans-53.2-42.9-178.2-60.5-173.6-76159.90113.5A221 S225 A229 A230 F231 D335 F390A221-K227 HydrophobicContact CB-CD 4.34Å; A221-K227 HydrophobicContact CB-CG 4.36Å; S225-K227 WeakPolarHBondContact OG-CG 3.4Å; K227-A229 PolarHBondContact O-N 3.46Å; K227-A230 WeakPolarHBondContact O-CA 3.27Å; K227-A230 WeakPolarHBondContact O-CB 3.36Å; K227-A230 PolarHBondContact O-N 3.24Å; K227-F231 WeakPolarHBondContact O-CD1 3.5Å; K227-F231 WeakPolarHBondContact O-CE1 3.21Å; K227-F231 PolarHBondContact O-N 3.16Å; K227-D335 IonicContact NZ-OD1 3.86Å; K227-D335 PolarHBondContact NZ-OD1 3.01Å; K227-F390 HydrophobicContact CB-CD1 4.11Å; K227-F390 HydrophobicContact CB-CE1 4.23Å; K227-F390 HydrophobicContact CB-CG 4.28Å; K227-F390 HydrophobicContact CD-CB 3.85Å; K227-F390 HydrophobicContact CD-CD1 3.57Å; K227-F390 HydrophobicContact CD-CE1 4.38Å; K227-F390 HydrophobicContact CD-CG 3.85Å; K227-F390 HydrophobicContact CG-CD1 3.83Å; K227-F390 HydrophobicContact CG-CE1 4.14Å; K227-F390 HydrophobicContact CG-CG 4.34Å
228T93.6Very high89.7Confident30 Ų3015.4 Ų15.418%0.18411%0.105CC..Hα-helixtrans-55.4-54.9-175.7-48.50000112.8G226 A230 F231 L232 I270 E273G226-T228 VanDerWaalsContact C-N 3.31Å; G226-T228 PolarHBondContact O-N 2.87Å; T228-A230 PolarHBondContact O-N 3.23Å; T228-F231 VanDerWaalsContact CA-CE1 3.42Å; T228-F231 HydrophobicContact CG2-CE2 4.39Å; T228-F231 HydrophobicContact CG2-CZ 3.99Å; T228-F231 WeakPolarHBondContact O-CD2 3.24Å; T228-F231 PolarHBondContact O-N 2.98Å; T228-L232 HydrophobicContact CG2-CD1 3.69Å; T228-L232 HydrophobicContact CG2-CG 4.35Å; T228-L232 WeakPolarHBondContact O-CB 3.41Å; T228-L232 VanDerWaalsContact O-CG 3.25Å; T228-L232 WeakPolarHBondContact O-CG 3.3Å; T228-L232 PolarHBondContact O-N 3.5Å; T228-I270 HydrophobicContact CG2-CB 4.45Å; T228-I270 HydrophobicContact CG2-CG1 4.37Å; T228-I270 HydrophobicContact CG2-CG2 4.14Å; T228-E273 HydrophobicContact CG2-CB 3.84Å; T228-E273 HydrophobicContact CG2-CG 3.99Å
229A94.7Very high89.5Confident1 Ų115.1 Ų15.11%0.00810%0.103CC..Hα-helixtrans-65.8-26.6176.300000112.9Y197 K227 F231 L232 L233 F277Y197-A229 HydrophobicContact CE1-CB 4.17Å; K227-A229 PolarHBondContact O-N 3.46Å; A229-F231 VanDerWaalsContact C-N 3.33Å; A229-F231 PolarHBondContact O-N 3.39Å; A229-L232 PolarHBondContact O-N 3.18Å; A229-L233 HydrophobicContact CB-CD1 4.47Å; A229-L233 WeakPolarHBondContact O-CB 3.39Å; A229-L233 VanDerWaalsContact O-CG 3.29Å; A229-L233 WeakPolarHBondContact O-CG 3.38Å; A229-L233 PolarHBondContact O-N 3.48Å; A229-F277 HydrophobicContact CB-CE2 4.19Å; A229-F277 HydrophobicContact CB-CZ 4.21Å
230A96.2Very high89.3Confident2 Ų217 Ų172%0.01711%0.112CC..Hα-helixtrans-64.6-34.5-179.800000113.2I203 Q204 A207 G226 K227 T228 P234 F390I203-A230 HydrophobicContact CG2-CB 4.25Å; Q204-A230 HydrophobicContact CB-CB 4.39Å; Q204-A230 HydrophobicContact CG-CB 3.73Å; A207-A230 HydrophobicContact CB-CB 4.24Å; G226-A230 PolarHBondContact O-N 2.75Å; K227-A230 WeakPolarHBondContact O-CA 3.27Å; K227-A230 WeakPolarHBondContact O-CB 3.36Å; K227-A230 PolarHBondContact O-N 3.24Å; T228-A230 PolarHBondContact O-N 3.23Å; A230-P234 VanDerWaalsContact O-CD 3.27Å; A230-P234 WeakPolarHBondContact O-CD 3.28Å; A230-F390 HydrophobicContact CB-CZ 4.38Å
231F95.6Very high89.3Confident1 Ų119.1 Ų19.10%0.00413%0.127CC..Hα-helixtrans-95-26.5173.860.4-105.7000113.7K227 T228 A229 I259 I270 Y331 I333 V388 F390K227-F231 WeakPolarHBondContact O-CD1 3.5Å; K227-F231 WeakPolarHBondContact O-CE1 3.21Å; K227-F231 PolarHBondContact O-N 3.16Å; T228-F231 VanDerWaalsContact CA-CE1 3.42Å; T228-F231 HydrophobicContact CG2-CE2 4.39Å; T228-F231 HydrophobicContact CG2-CZ 3.99Å; T228-F231 WeakPolarHBondContact O-CD2 3.24Å; T228-F231 PolarHBondContact O-N 2.98Å; A229-F231 VanDerWaalsContact C-N 3.33Å; A229-F231 PolarHBondContact O-N 3.39Å; F231-I259 HydrophobicContact CD2-CD1 4.45Å; F231-I259 HydrophobicContact CE2-CD1 3.79Å; F231-I259 HydrophobicContact CE2-CG1 4.07Å; F231-I259 HydrophobicContact CE2-CG2 4.19Å; F231-I259 HydrophobicContact CZ-CG2 4.21Å; F231-I270 HydrophobicContact CE2-CG2 4.41Å; F231-I270 HydrophobicContact CZ-CG2 4.23Å; F231-Y331 HydrophobicContact CB-CE1 4.39Å; F231-Y331 PolarHBondContact O-OH 3.15Å; F231-I333 HydrophobicContact CB-CG1 4.29Å; F231-I333 HydrophobicContact CD1-CG2 4Å; F231-I333 HydrophobicContact CD2-CG1 3.92Å; F231-I333 HydrophobicContact CD2-CG2 4.2Å; F231-I333 HydrophobicContact CE1-CG2 4.07Å; F231-I333 HydrophobicContact CE2-CG1 4.47Å; F231-I333 HydrophobicContact CE2-CG2 4.34Å; F231-I333 HydrophobicContact CG-CG1 4.17Å; F231-I333 HydrophobicContact CG-CG2 4.03Å; F231-I333 HydrophobicContact CZ-CG2 4.25Å; F231-V388 HydrophobicContact CB-CG1 4.37Å; F231-F390 HydrophobicContact CB-CE2 4.01Å; F231-F390 AromaticContact CD1-CD2 3.78Å; F231-F390 HydrophobicContact CD1-CD2 3.78Å; F231-F390 AromaticContact CD1-CE2 3.39Å; F231-F390 HydrophobicContact CD1-CE2 3.39Å; F231-F390 HydrophobicContact CD1-CZ 4.31Å; F231-F390 HydrophobicContact CE1-CD2 4.25Å; F231-F390 HydrophobicContact CE1-CE2 4.28Å; F231-F390 HydrophobicContact CG-CE2 4.15Å
232L95.8Very high89.4Confident1 Ų119.1 Ų19.11%0.00513%0.126CC..Hα-helixtrans-70-41.1177.7-74.3176.8000112.4T228 A229 L235 L236 I259 A274 I307T228-L232 HydrophobicContact CG2-CD1 3.69Å; T228-L232 HydrophobicContact CG2-CG 4.35Å; T228-L232 WeakPolarHBondContact O-CB 3.41Å; T228-L232 VanDerWaalsContact O-CG 3.25Å; T228-L232 WeakPolarHBondContact O-CG 3.3Å; T228-L232 PolarHBondContact O-N 3.5Å; A229-L232 PolarHBondContact O-N 3.18Å; L232-L235 WeakPolarHBondContact O-CB 3.29Å; L232-L235 PolarHBondContact O-N 3.03Å; L232-L236 HydrophobicContact CB-CD1 4.44Å; L232-L236 VanDerWaalsContact O-CG 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.7Å; L232-I259 HydrophobicContact CD2-CD1 3.87Å; L232-A274 HydrophobicContact CD1-CB 3.96Å; L232-A274 HydrophobicContact CD2-CB 4.1Å; L232-I307 HydrophobicContact CD2-CD1 4.46Å
233L95.2Very high89.9Confident2 Ų218 Ų181%0.0113%0.126CC..Hα-helixtrans-62.8-48.3-174.1-72.4173.1000113.3W179 V188 I192 I208 A229 L235 L236 I237 F277W179-L233 HydrophobicContact CH2-CD1 3.91Å; W179-L233 HydrophobicContact CZ3-CD1 3.67Å; V188-L233 HydrophobicContact CG1-CD2 3.98Å; I192-L233 HydrophobicContact CD1-CD1 4.05Å; I192-L233 HydrophobicContact CD1-CD2 3.88Å; I192-L233 HydrophobicContact CG1-CD1 4.36Å; I192-L233 HydrophobicContact CG1-CD2 3.86Å; I208-L233 HydrophobicContact CD1-CB 4.29Å; I208-L233 HydrophobicContact CD1-CD1 3.63Å; A229-L233 HydrophobicContact CB-CD1 4.47Å; A229-L233 WeakPolarHBondContact O-CB 3.39Å; A229-L233 VanDerWaalsContact O-CG 3.29Å; A229-L233 WeakPolarHBondContact O-CG 3.38Å; A229-L233 PolarHBondContact O-N 3.48Å; L233-L235 VanDerWaalsContact C-N 3.26Å; L233-L235 PolarHBondContact O-N 2.67Å; L233-L236 PolarHBondContact O-N 3.46Å; L233-I237 WeakPolarHBondContact O-CB 3.33Å; L233-I237 WeakPolarHBondContact O-CD1 3.34Å; L233-I237 VanDerWaalsContact O-CG1 3.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 3.29Å; L233-F277 HydrophobicContact CD2-CD1 4.11Å; L233-F277 HydrophobicContact CD2-CE1 4.05Å
234P94.3Very high90.4Very high1 Ų122.9 Ų22.91%0.00614%0.144CC..Hα-helixtrans-58.2-38.3174-2534.8000113.1I208 L212 A230 W238I208-P234 HydrophobicContact CB-CG 4.42Å; I208-P234 HydrophobicContact CG1-CG 4.46Å; I208-P234 HydrophobicContact CG2-CG 4.21Å; L212-P234 HydrophobicContact CD2-CB 4.24Å; L212-P234 HydrophobicContact CG-CB 4.42Å; A230-P234 VanDerWaalsContact O-CD 3.27Å; A230-P234 WeakPolarHBondContact O-CD 3.28Å; P234-W238 WeakPolarHBondContact O-CB 3.26Å; P234-W238 PolarHBondContact O-N 3.31Å
235L94.5Very high90.8Very high1 Ų124.7 Ų24.71%0.00514%0.136CC..Hα-helixtrans-64.2-47.4176.9171.363.5000111.8L232 L233 W238 I239 A257 I307 Y331L232-L235 WeakPolarHBondContact O-CB 3.29Å; L232-L235 PolarHBondContact O-N 3.03Å; L233-L235 VanDerWaalsContact C-N 3.26Å; L233-L235 PolarHBondContact O-N 2.67Å; L235-W238 HydrophobicContact CD1-CE3 4.38Å; L235-W238 PolarHBondContact O-N 2.98Å; L235-I239 HydrophobicContact CD1-CD1 3.74Å; L235-I239 HydrophobicContact CD1-CG1 4.07Å; L235-I239 HydrophobicContact CG-CD1 3.86Å; L235-I239 WeakPolarHBondContact O-CG1 3.29Å; L235-I239 PolarHBondContact O-N 3.38Å; L235-A257 HydrophobicContact CD1-CB 3.78Å; L235-A257 HydrophobicContact CD2-CB 3.36Å; L235-A257 HydrophobicContact CG-CB 4.21Å; L235-I307 HydrophobicContact CD2-CD1 3.69Å; L235-I307 HydrophobicContact CD2-CG1 4.02Å; L235-I307 HydrophobicContact CG-CD1 4.49Å; L235-Y331 HydrophobicContact CB-CD1 4.15Å; L235-Y331 HydrophobicContact CB-CE1 4.15Å; L235-Y331 HydrophobicContact CB-CG 4.5Å; L235-Y331 HydrophobicContact CD1-CD1 4.21Å; L235-Y331 HydrophobicContact CD1-CG 4.03Å; L235-Y331 HydrophobicContact CD2-CD1 4.17Å; L235-Y331 HydrophobicContact CG-CD1 4.41Å
236L93.9Very high90.6Very high1 Ų126.4 Ų26.41%0.00514%0.141CC..Hα-helixtrans-66.2-41.9-179.3-69169.7000111.7L232 L233 W238 I239 Q240 F277 L281 V283 I307L232-L236 HydrophobicContact CB-CD1 4.44Å; L232-L236 VanDerWaalsContact O-CG 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.7Å; L233-L236 PolarHBondContact O-N 3.46Å; L236-W238 VanDerWaalsContact C-N 3.27Å; L236-W238 PolarHBondContact O-N 3.41Å; L236-I239 PolarHBondContact O-N 3.22Å; L236-Q240 WeakPolarHBondContact O-CG 3.36Å; L236-Q240 PolarHBondContact O-N 3.29Å; L236-F277 HydrophobicContact CD1-CB 3.6Å; L236-F277 HydrophobicContact CD1-CG 4.42Å; L236-L281 HydrophobicContact CB-CD1 4.1Å; L236-L281 HydrophobicContact CD1-CD1 4.24Å; L236-L281 HydrophobicContact CD2-CD1 4.33Å; L236-L281 HydrophobicContact CG-CD1 4.46Å; L236-V283 HydrophobicContact CD2-CB 4.08Å; L236-V283 HydrophobicContact CD2-CG1 4.05Å; L236-V283 HydrophobicContact CD2-CG2 3.83Å; L236-I307 HydrophobicContact CD2-CD1 4.41Å
237I93.2Very high90.3Very high14 Ų1427 Ų277%0.07214%0.139CC..Hα-helixtrans-58.2-43.4174.3-68.4163.4000110.1F184 P185 V188 L212 L233 S241F184-I237 HydrophobicContact CB-CD1 4.41Å; F184-I237 HydrophobicContact CD1-CD1 3.41Å; F184-I237 VanDerWaalsContact CD1-CD1 3.41Å; F184-I237 HydrophobicContact CE1-CD1 3.94Å; F184-I237 HydrophobicContact CG-CD1 4.04Å; P185-I237 HydrophobicContact CG-CG2 4.42Å; V188-I237 HydrophobicContact CG1-CG1 4.12Å; V188-I237 HydrophobicContact CG2-CG1 4.16Å; L212-I237 HydrophobicContact CD1-CD1 4.35Å; L212-I237 HydrophobicContact CD2-CB 4.09Å; L212-I237 HydrophobicContact CD2-CD1 3.91Å; L212-I237 HydrophobicContact CD2-CG2 3.83Å; L233-I237 WeakPolarHBondContact O-CB 3.33Å; L233-I237 WeakPolarHBondContact O-CD1 3.34Å; L233-I237 VanDerWaalsContact O-CG1 3.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 3.29Å; I237-S241 PolarHBondContact O-N 3.02Å
238W92.8Very high89.6Confident3 Ų333.3 Ų33.31%0.01117%0.168CC..Hα-helixtrans-65.8-47.2176179.377.9000112.6P234 L235 L236 Q240 S241 L242 Y256 T330 F378 K383P234-W238 WeakPolarHBondContact O-CB 3.26Å; P234-W238 PolarHBondContact O-N 3.31Å; L235-W238 HydrophobicContact CD1-CE3 4.38Å; L235-W238 PolarHBondContact O-N 2.98Å; L236-W238 VanDerWaalsContact C-N 3.27Å; L236-W238 PolarHBondContact O-N 3.41Å; W238-Q240 VanDerWaalsContact C-N 3.27Å; W238-Q240 PolarHBondContact O-N 2.69Å; W238-S241 WeakPolarHBondContact O-CB 3.47Å; W238-S241 PolarHBondContact O-N 3.16Å; W238-S241 PolarHBondContact O-OG 2.75Å; W238-L242 HydrophobicContact CE3-CD1 4.4Å; W238-L242 HydrophobicContact CH2-CD1 3.73Å; W238-L242 HydrophobicContact CZ2-CD1 3.9Å; W238-L242 HydrophobicContact CZ2-CD2 4.34Å; W238-L242 HydrophobicContact CZ2-CG 4.49Å; W238-L242 HydrophobicContact CZ3-CD1 3.97Å; W238-Y256 AromaticContact CH2-CD1 3.68Å; W238-Y256 HydrophobicContact CH2-CD1 3.68Å; W238-Y256 HydrophobicContact CH2-CE1 4.17Å; W238-Y256 HydrophobicContact CH2-CG 4.21Å; W238-Y256 AromaticContact CZ3-CD1 3.71Å; W238-Y256 HydrophobicContact CZ3-CD1 3.71Å; W238-Y256 HydrophobicContact CZ3-CD2 4.45Å; W238-Y256 HydrophobicContact CZ3-CE1 4.44Å; W238-Y256 AromaticContact CZ3-CG 3.74Å; W238-Y256 HydrophobicContact CZ3-CG 3.74Å; W238-T330 VanDerWaalsContact CH2-OG1 3.26Å; W238-T330 WeakPolarHBondContact CH2-OG1 3.25Å; W238-F378 HydrophobicContact CB-CE1 4.49Å; W238-F378 HydrophobicContact CB-CZ 4.27Å; W238-F378 HydrophobicContact CG-CZ 4.46Å; W238-F378 PolarHBondContact NE1-O 3.4Å; W238-K383 HydrophobicContact CD2-CD 4.38Å; W238-K383 HydrophobicContact CZ2-CD 4.05Å; W238-K383 HydrophobicContact CZ2-CG 3.97Å; W238-K383 VanDerWaalsContact CZ2-NZ 3.28Å
239I91Very high89Confident0 Ų038.5 Ų38.50%019%0.19CC..Hα-helixtrans-60.3-36.4178.7-69.8169.7000111.6L235 L236 S241 L242 R247 Y256 V283 E306 I307L235-I239 HydrophobicContact CD1-CD1 3.74Å; L235-I239 HydrophobicContact CD1-CG1 4.07Å; L235-I239 HydrophobicContact CG-CD1 3.86Å; L235-I239 WeakPolarHBondContact O-CG1 3.29Å; L235-I239 PolarHBondContact O-N 3.38Å; L236-I239 PolarHBondContact O-N 3.22Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-L242 PolarHBondContact O-N 3.35Å; I239-R247 PolarHBondContact O-NH1 3.14Å; I239-Y256 HydrophobicContact CD1-CD2 4.38Å; I239-Y256 HydrophobicContact CG1-CD2 4.15Å; I239-V283 HydrophobicContact CD1-CG1 4.1Å; I239-V283 HydrophobicContact CG2-CG2 3.9Å; I239-E306 HydrophobicContact CD1-CB 4.21Å; I239-I307 HydrophobicContact CD1-CG1 4.38Å
240Q89.2Confident88.4Confident41 Ų4140.4 Ų40.419%0.19220%0.2CC..Hα-helixtrans-73.5-22177.3-70.2-51.6-41.300113.7L236 W238 L242 L281L236-Q240 WeakPolarHBondContact O-CG 3.36Å; L236-Q240 PolarHBondContact O-N 3.29Å; W238-Q240 VanDerWaalsContact C-N 3.27Å; W238-Q240 PolarHBondContact O-N 2.69Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L281 HydrophobicContact CG-CD2 4.49Å; Q240-L281 PolarHBondContact NE2-O 3.33Å
241S88.6Confident87.7Confident47 Ų4741.9 Ų41.933%0.32921%0.209SC..Hα-helixtrans-74.4-19174.875.60000113.5I237 W238 I239 F379I237-S241 PolarHBondContact O-N 3.02Å; W238-S241 WeakPolarHBondContact O-CB 3.47Å; W238-S241 PolarHBondContact O-N 3.16Å; W238-S241 PolarHBondContact O-OG 2.75Å; I239-S241 VanDerWaalsContact C-N 3.31Å; S241-F379 WeakPolarHBondContact OG-CD1 3.07Å
242L87.7Confident87.1Confident6 Ų648.3 Ų48.33%0.03124%0.244CC..SBendtrans-79139-179.9-62.7178.4000111.3W238 I239 Q240 R247 Y256W238-L242 HydrophobicContact CE3-CD1 4.4Å; W238-L242 HydrophobicContact CH2-CD1 3.73Å; W238-L242 HydrophobicContact CZ2-CD1 3.9Å; W238-L242 HydrophobicContact CZ2-CD2 4.34Å; W238-L242 HydrophobicContact CZ2-CG 4.49Å; W238-L242 HydrophobicContact CZ3-CD1 3.97Å; I239-L242 PolarHBondContact O-N 3.35Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; L242-R247 HydrophobicContact CB-CG 4.29Å; L242-Y256 HydrophobicContact CD1-CE1 4.17Å; L242-Y256 HydrophobicContact CD1-CE2 4.46Å
243P84.7Confident86.7Confident63 Ų6351.8 Ų51.841%0.40926%0.26SS..  trans-55.9139.6174.5-24.534000112.2I245 E246 R247P243-I245 VanDerWaalsContact C-N 3.29Å; P243-I245 HydrophobicContact CB-CG2 4.19Å; P243-I245 PolarHBondContact O-N 3.15Å; P243-E246 HydrophobicContact CB-CB 4.26Å; P243-E246 HydrophobicContact CB-CG 4.33Å; P243-E246 HydrophobicContact CG-CG 4.43Å; P243-E246 WeakPolarHBondContact O-CB 3.46Å; P243-E246 PolarHBondContact O-N 3.03Å; P243-E246 VanDerWaalsContact O-N 3.13Å; P243-R247 PolarHBondContact O-N 3.3Å
244K81.5Confident86.5Confident144 Ų14452 Ų5263%0.62626%0.263SS*.Hα-helixtrans-58.8-40-179.3-62.6-168.1178.9178.70112.9E246 R247 E248K244-E246 PolarHBondContact O-N 3.36Å; K244-R247 WeakPolarHBondContact O-CB 3.28Å; K244-R247 PolarHBondContact O-N 3.09Å; K244-E248 PolarHBondContact O-N 3.08Å; K244-E248 VanDerWaalsContact O-N 3.11Å
245I82.5Confident86.4Confident108 Ų10852 Ų5255%0.55426%0.263SS*.Hα-helixtrans-57.8-40.8178.4-161.2163.7000111.6P243 R247 E248 E249P243-I245 VanDerWaalsContact C-N 3.29Å; P243-I245 HydrophobicContact CB-CG2 4.19Å; P243-I245 PolarHBondContact O-N 3.15Å; I245-R247 VanDerWaalsContact C-N 3.27Å; I245-R247 PolarHBondContact O-N 2.7Å; I245-E248 PolarHBondContact O-N 3.03Å; I245-E249 WeakPolarHBondContact O-CG 3.15Å; I245-E249 PolarHBondContact O-N 2.77Å
246E79Confident86.4Confident63 Ų6352.1 Ų52.129%0.29426%0.263SS..Hα-helixtrans-67.1-28.9178.9-88.2-171.9-158.600112.9P243 K244 K381P243-E246 HydrophobicContact CB-CB 4.26Å; P243-E246 HydrophobicContact CB-CG 4.33Å; P243-E246 HydrophobicContact CG-CG 4.43Å; P243-E246 WeakPolarHBondContact O-CB 3.46Å; P243-E246 PolarHBondContact O-N 3.03Å; P243-E246 VanDerWaalsContact O-N 3.13Å; K244-E246 PolarHBondContact O-N 3.36Å; E246-K381 VanDerWaalsContact CB-NZ 3.3Å; E246-K381 PolarHBondContact O-NZ 3.09Å; E246-K381 WeakPolarHBondContact OE2-CE 3.33Å; E246-K381 IonicContact OE2-NZ 2.74Å
247R80.5Confident86.5Confident28 Ų2852.1 Ų52.111%0.10626%0.263CS..Hα-helixtrans-78.8-30.3176.5-60.3-169.5-61.6-173.63112.2I239 L242 P243 K244 I245 V251 Y256I239-R247 PolarHBondContact O-NH1 3.14Å; L242-R247 HydrophobicContact CB-CG 4.29Å; P243-R247 PolarHBondContact O-N 3.3Å; K244-R247 WeakPolarHBondContact O-CB 3.28Å; K244-R247 PolarHBondContact O-N 3.09Å; I245-R247 VanDerWaalsContact C-N 3.27Å; I245-R247 PolarHBondContact O-N 2.7Å; R247-V251 VanDerWaalsContact O-CG2 3.25Å; R247-V251 WeakPolarHBondContact O-CG2 3.43Å; R247-Y256 HydrophobicContact CG-CE2 4.28Å
248E77.8Confident86.7Confident143 Ų14351.5 Ų51.567%0.66826%0.26SS*.Hα-helixtrans-79.6-32.6179.5-71.5175.5-171.500112.5K244 I245 V251K244-E248 PolarHBondContact O-N 3.08Å; K244-E248 VanDerWaalsContact O-N 3.11Å; I245-E248 PolarHBondContact O-N 3.03Å; E248-V251 VanDerWaalsContact O-CG2 3.24Å; E248-V251 WeakPolarHBondContact O-CG2 3.37Å
249E80.6Confident86.9Confident138 Ų13851.3 Ų51.365%0.64526%0.259SS*.Hα-helixtrans-73.2-36.5178.6-73.3-179.9169.100113.2I245 V251I245-E249 WeakPolarHBondContact O-CG 3.15Å; I245-E249 PolarHBondContact O-N 2.77Å; E249-V251 PolarHBondContact O-N 2.86Å
250D81.1Confident87.1Confident41 Ų4151.3 Ų51.322%0.21926%0.259CS..THydrogen-bonded Turntrans-95.418-173.1-74-25.2000113.6D252 Q253 Q328 K381D250-D252 PolarHBondContact O-N 3.13Å; D250-D252 VanDerWaalsContact O-N 3.14Å; D250-Q253 HydrophobicContact CB-CB 4.29Å; D250-Q253 HydrophobicContact CB-CG 4.05Å; D250-Q253 WeakPolarHBondContact O-CB 3.29Å; D250-Q253 PolarHBondContact O-N 3.29Å; D250-Q328 VanDerWaalsContact CB-OE1 3.31Å; D250-Q328 PolarHBondContact O-NE2 2.81Å; D250-K381 VanDerWaalsContact OD2-CE 3.29Å; D250-K381 WeakPolarHBondContact OD2-CE 3.08Å; D250-K381 IonicContact OD2-NZ 3.92Å; D250-K381 PolarHBondContact OD2-NZ 3.28Å
251V82.3Confident87.4Confident34 Ų3449.4 Ų49.421%0.20625%0.25CS..G310 helixtrans-56.6-35.3-177.3178.90000111.9R247 E248 E249 Q253R247-V251 VanDerWaalsContact O-CG2 3.25Å; R247-V251 WeakPolarHBondContact O-CG2 3.43Å; E248-V251 VanDerWaalsContact O-CG2 3.24Å; E248-V251 WeakPolarHBondContact O-CG2 3.37Å; E249-V251 PolarHBondContact O-N 2.86Å; V251-Q253 VanDerWaalsContact C-N 3.29Å; V251-Q253 PolarHBondContact O-N 2.85Å
252D82.9Confident87.5Confident136 Ų13647.3 Ų47.373%0.72724%0.235SC*.G310 helixtrans-76.9-10.1179-66.4-26000113.9D250 G254 V325D250-D252 PolarHBondContact O-N 3.13Å; D250-D252 VanDerWaalsContact O-N 3.14Å; D252-G254 PolarHBondContact O-N 2.66Å; D252-V325 WeakPolarHBondContact O-CG2 3.44Å
253Q87.7Confident87.5Confident74 Ų7447.5 Ų47.535%0.34624%0.237SC..G310 helixtrans-82.53.1179.8-59.3-59.3-28.600113.5D250 V251 N327 Q328D250-Q253 HydrophobicContact CB-CB 4.29Å; D250-Q253 HydrophobicContact CB-CG 4.05Å; D250-Q253 WeakPolarHBondContact O-CB 3.29Å; D250-Q253 PolarHBondContact O-N 3.29Å; V251-Q253 VanDerWaalsContact C-N 3.29Å; V251-Q253 PolarHBondContact O-N 2.85Å; Q253-N327 HydrophobicContact CB-CB 4.32Å; Q253-N327 PolarHBondContact O-N 3.48Å; Q253-N327 PolarHBondContact OE1-ND2 2.73Å; Q253-Q328 HydrophobicContact CB-CB 4.11Å; Q253-Q328 HydrophobicContact CB-CG 3.98Å; Q253-Q328 PolarHBondContact O-N 3.16Å
254G90.2Very high87.6Confident7 Ų746 Ų467%0.07222%0.223CC..  trans93.2-166.2178.200000113.6D252 V325 Q328D252-G254 PolarHBondContact O-N 2.66Å; G254-V325 VanDerWaalsContact CA-O 3.24Å; G254-V325 WeakPolarHBondContact CA-O 3.46Å; G254-Q328 PolarHBondContact O-NE2 2.79Å
255P93.9Very high87.7Confident0 Ų040 Ų400%020%0.198CC..  trans-80.2155.9179.734.3-36.8000112.3A257 V258 C305 E306 V308 V325 L326 C329P255-A257 VanDerWaalsContact C-N 3.32Å; P255-A257 WeakPolarHBondContact CB-O 3.23Å; P255-V258 HydrophobicContact CG-CG2 4.02Å; P255-C305 VanDerWaalsContact CA-O 3.28Å; P255-C305 WeakPolarHBondContact CA-O 3.3Å; P255-E306 WeakPolarHBondContact CB-O 3.21Å; P255-V308 HydrophobicContact CB-CB 4.29Å; P255-V308 HydrophobicContact CB-CG2 3.83Å; P255-V308 HydrophobicContact CG-CB 4.03Å; P255-V308 HydrophobicContact CG-CG2 3.67Å; P255-V325 WeakPolarHBondContact CD-O 2.93Å; P255-L326 HydrophobicContact CG-CD2 3.82Å; P255-C329 WeakPolarHBondContact O-CA 3.24Å; P255-C329 PolarHBondContact O-N 3.28Å
256Y94.1Very high88Confident4 Ų435.4 Ų35.42%0.01617%0.174CC..SBendtrans-71.8-30.2167-71-55.5000112.4W238 I239 L242 R247 E306 Q328 T330 Y331W238-Y256 AromaticContact CH2-CD1 3.68Å; W238-Y256 HydrophobicContact CH2-CD1 3.68Å; W238-Y256 HydrophobicContact CH2-CE1 4.17Å; W238-Y256 HydrophobicContact CH2-CG 4.21Å; W238-Y256 AromaticContact CZ3-CD1 3.71Å; W238-Y256 HydrophobicContact CZ3-CD1 3.71Å; W238-Y256 HydrophobicContact CZ3-CD2 4.45Å; W238-Y256 HydrophobicContact CZ3-CE1 4.44Å; W238-Y256 AromaticContact CZ3-CG 3.74Å; W238-Y256 HydrophobicContact CZ3-CG 3.74Å; I239-Y256 HydrophobicContact CD1-CD2 4.38Å; I239-Y256 HydrophobicContact CG1-CD2 4.15Å; L242-Y256 HydrophobicContact CD1-CE1 4.17Å; L242-Y256 HydrophobicContact CD1-CE2 4.46Å; R247-Y256 HydrophobicContact CG-CE2 4.28Å; Y256-E306 HydrophobicContact CD2-CB 3.99Å; Y256-E306 HydrophobicContact CD2-CG 3.9Å; Y256-E306 HydrophobicContact CE2-CG 4.05Å; Y256-E306 PolarHBondContact N-O 3.3Å; Y256-Q328 HydrophobicContact CD1-CB 4.48Å; Y256-Q328 HydrophobicContact CD1-CG 4.05Å; Y256-Q328 HydrophobicContact CE1-CB 4.45Å; Y256-Q328 HydrophobicContact CE1-CG 4.11Å; Y256-T330 PolarHBondContact O-N 3.44Å; Y256-Y331 PolarHBondContact O-N 3.25Å
257A95.8Very high88.6Confident0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-134.6142.5-177.500000113.7L235 P255 E306 I307 V308 Y331L235-A257 HydrophobicContact CD1-CB 3.78Å; L235-A257 HydrophobicContact CD2-CB 3.36Å; L235-A257 HydrophobicContact CG-CB 4.21Å; P255-A257 VanDerWaalsContact C-N 3.32Å; P255-A257 WeakPolarHBondContact CB-O 3.23Å; A257-E306 PolarHBondContact N-O 3.19Å; A257-I307 HydrophobicContact CB-CG1 4.49Å; A257-V308 PolarHBondContact O-N 3.18Å; A257-Y331 VanDerWaalsContact CA-O 3.23Å; A257-Y331 WeakPolarHBondContact CA-O 3.4Å; A257-Y331 HydrophobicContact CB-CD1 4.32Å
258V96.6Very high89.1Confident1 Ų133.1 Ų33.11%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-120.4117.8170.61740000109.1P255 M260 V308 L315 L326 Y331 I333P255-V258 HydrophobicContact CG-CG2 4.02Å; V258-M260 HydrophobicContact CG1-CE 4.45Å; V258-M260 HydrophobicContact CG1-CG 4.01Å; V258-V308 CarbonylContact C-O 3.41Å; V258-V308 WeakPolarHBondContact CA-O 3.38Å; V258-L315 HydrophobicContact CG1-CD2 3.48Å; V258-L315 VanDerWaalsContact CG1-CD2 3.48Å; V258-L326 HydrophobicContact CG2-CD1 4.31Å; V258-L326 HydrophobicContact CG2-CD2 3.43Å; V258-L326 VanDerWaalsContact CG2-CD2 3.43Å; V258-Y331 PolarHBondContact N-O 3.49Å; V258-I333 PolarHBondContact O-N 2.87Å
259I97.1Very high89.6Confident0 Ų029.2 Ų29.20%015%0.146CC..EExtended strand (participates in β ladder)trans-104113.7173.4-57.7156.8000108.5F231 L232 I270 I307 V308 I309 A310 I333F231-I259 HydrophobicContact CD2-CD1 4.45Å; F231-I259 HydrophobicContact CE2-CD1 3.79Å; F231-I259 HydrophobicContact CE2-CG1 4.07Å; F231-I259 HydrophobicContact CE2-CG2 4.19Å; F231-I259 HydrophobicContact CZ-CG2 4.21Å; L232-I259 HydrophobicContact CD2-CD1 3.87Å; I259-I270 HydrophobicContact CD1-CG2 4.1Å; I259-I270 HydrophobicContact CG2-CD1 4.01Å; I259-I270 HydrophobicContact CG2-CG2 3.91Å; I259-I307 HydrophobicContact CD1-CG2 3.73Å; I259-V308 PolarHBondContact N-O 3.29Å; I259-I309 HydrophobicContact CB-CG1 4.13Å; I259-I309 HydrophobicContact CD1-CD1 4.45Å; I259-I309 HydrophobicContact CD1-CG1 3.88Å; I259-I309 CarbonylContact O-C 3.53Å; I259-I309 WeakPolarHBondContact O-CA 3.48Å; I259-A310 PolarHBondContact O-N 2.82Å; I259-I333 HydrophobicContact CB-CB 4.31Å; I259-I333 HydrophobicContact CB-CD1 4.34Å; I259-I333 HydrophobicContact CG1-CB 4.09Å; I259-I333 HydrophobicContact CG1-CD1 3.41Å; I259-I333 VanDerWaalsContact CG1-CD1 3.41Å; I259-I333 HydrophobicContact CG1-CG1 3.99Å; I259-I333 HydrophobicContact CG2-CB 4.1Å; I259-I333 HydrophobicContact CG2-CG2 4.32Å
260M96.3Very high90.2Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-96.5134.1175.9-68.1176.6-93.300110.4V258 A310 P312 L315 V332 I333 L334 D335 M340 V349 V352V258-M260 HydrophobicContact CG1-CE 4.45Å; V258-M260 HydrophobicContact CG1-CG 4.01Å; M260-A310 VanDerWaalsContact CA-O 3.3Å; M260-A310 WeakPolarHBondContact CA-O 3.31Å; M260-P312 HydrophobicContact CB-CG 4.4Å; M260-L315 HydrophobicContact CG-CD2 4.21Å; M260-L315 HydrophobicContact SD-CD2 4.45Å; M260-V332 HydrophobicContact CE-CG1 3.74Å; M260-I333 PolarHBondContact N-O 3.06Å; M260-L334 HydrophobicContact CB-CD2 4.11Å; M260-L334 HydrophobicContact CE-CD2 3.34Å; M260-L334 HydrophobicContact SD-CD2 3.94Å; M260-D335 PolarHBondContact O-N 3.48Å; M260-M340 HydrophobicContact CB-CE 3.57Å; M260-M340 WeakPolarHBondContact O-CE 3.22Å; M260-V349 HydrophobicContact CE-CG1 4.4Å; M260-V349 HydrophobicContact SD-CG1 4.45Å; M260-V349 HydrophobicContact SD-CG2 4.3Å; M260-V352 HydrophobicContact CE-CG1 4.12Å; M260-V352 HydrophobicContact SD-CB 4.3Å; M260-V352 HydrophobicContact SD-CG1 4.13Å; M260-V352 HydrophobicContact SD-CG2 4.31Å
261A94Very high90.8Very high0 Ų022.9 Ų22.90%012%0.115CC..  trans-128.9143.5173.100000110.3T263 L266 A267 I270 A310 T311 P312A261-T263 VanDerWaalsContact C-N 3.33Å; A261-T263 PolarHBondContact O-N 3.41Å; A261-L266 HydrophobicContact CB-CB 4.18Å; A261-L266 HydrophobicContact CB-CD2 3.88Å; A261-L266 HydrophobicContact CB-CG 4.05Å; A261-A267 HydrophobicContact CB-CB 4.06Å; A261-I270 HydrophobicContact CB-CD1 4.06Å; A261-A310 PolarHBondContact N-O 2.98Å; A261-T311 WeakPolarHBondContact O-CA 3.36Å; A261-P312 VanDerWaalsContact O-CD 3.27Å; A261-P312 WeakPolarHBondContact O-CD 3.13Å
262P91.2Very high91.3Very high3 Ų327 Ų272%0.01913%0.132CC..SBendtrans-67.3-30.5-17726-37.4000113.5L266 D335 E336 K339 M340 M343 F345P262-L266 HydrophobicContact CG-CD2 4.36Å; P262-D335 WeakPolarHBondContact CD-O 3.46Å; P262-E336 HydrophobicContact CG-CB 3.83Å; P262-K339 HydrophobicContact CB-CB 4.2Å; P262-K339 HydrophobicContact CG-CB 4.02Å; P262-M340 HydrophobicContact CB-CG 3.84Å; P262-M340 HydrophobicContact CG-CG 4.41Å; P262-M343 HydrophobicContact CB-SD 3.92Å; P262-F345 VanDerWaalsContact O-CE2 3.27Å; P262-F345 WeakPolarHBondContact O-CE2 3.34Å
263T88.2Confident91.8Very high10 Ų1021.7 Ų21.76%0.06110%0.103CC..SBendtrans-122.5156.1-175.472.10000111.7A261 E265 L266 A267 M343 R511A261-T263 VanDerWaalsContact C-N 3.33Å; A261-T263 PolarHBondContact O-N 3.41Å; T263-E265 VanDerWaalsContact C-N 3.27Å; T263-E265 WeakPolarHBondContact CB-OE2 3.4Å; T263-E265 PolarHBondContact O-N 3.35Å; T263-L266 PolarHBondContact OG1-N 3.12Å; T263-A267 PolarHBondContact O-N 2.95Å; T263-A267 VanDerWaalsContact O-N 3.13Å; T263-M343 HydrophobicContact CG2-CE 4.5Å; T263-M343 HydrophobicContact CG2-SD 4.22Å; T263-R511 HydrophobicContact CG2-CB 4.48Å
264R87.1Confident92.2Very high31 Ų3118.2 Ų18.212%0.1179%0.087CC..Hα-helixtrans-60.3-41.8175.9-177.4-169174.51548.2110.7A267 Q268 I289 G290 G291 Q485R264-A267 WeakPolarHBondContact O-CB 3.25Å; R264-A267 PolarHBondContact O-N 3.5Å; R264-Q268 WeakPolarHBondContact O-CG 3.31Å; R264-Q268 PolarHBondContact O-N 2.83Å; R264-I289 HydrophobicContact CG-CB 4.1Å; R264-I289 HydrophobicContact CG-CD1 3.76Å; R264-I289 HydrophobicContact CG-CG1 4.14Å; R264-G290 WeakPolarHBondContact CD-O 3.05Å; R264-G290 PolarHBondContact NE-O 3.18Å; R264-G290 PolarHBondContact NH1-O 3.08Å; R264-G291 PolarHBondContact NH1-O 2.86Å; R264-Q485 VanDerWaalsContact CD-OE1 3.31Å; R264-Q485 VanDerWaalsContact CZ-CG 3.48Å; R264-Q485 VanDerWaalsContact CZ-OE1 3.29Å; R264-Q485 VanDerWaalsContact NH1-CG 3.26Å
265E83.7Confident92.4Very high20 Ų2020.4 Ų20.49%0.09310%0.099CC..Hα-helixtrans-65.6-41.5-175.5-6475.1-169.300111.5T263 Q269 R488T263-E265 VanDerWaalsContact C-N 3.27Å; T263-E265 WeakPolarHBondContact CB-OE2 3.4Å; T263-E265 PolarHBondContact O-N 3.35Å; E265-Q269 WeakPolarHBondContact O-CG 3.41Å; E265-Q269 PolarHBondContact O-N 3.28Å; E265-Q269 VanDerWaalsContact O-N 3.13Å; E265-R488 IonicContact OE1-CZ 3.14Å; E265-R488 IonicContact OE1-NH1 3.4Å; E265-R488 PolarHBondContact OE1-NH1 3.17Å
266L88Confident92.4Very high10 Ų1025.1 Ų25.15%0.05212%0.12CC..Hα-helixtrans-68.3-42.3174.2-175.868000111.1A261 P262 T263 Q268 Q269 I270 D335 E336A261-L266 HydrophobicContact CB-CB 4.18Å; A261-L266 HydrophobicContact CB-CD2 3.88Å; A261-L266 HydrophobicContact CB-CG 4.05Å; P262-L266 HydrophobicContact CG-CD2 4.36Å; T263-L266 PolarHBondContact OG1-N 3.12Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 2.8Å; L266-Q269 PolarHBondContact O-N 3.46Å; L266-I270 HydrophobicContact CD2-CD1 4.47Å; L266-I270 HydrophobicContact CG-CD1 4.03Å; L266-I270 HydrophobicContact CG-CG1 4.47Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.5Å; L266-D335 HydrophobicContact CD2-CB 4.42Å; L266-E336 HydrophobicContact CD2-CB 4.21Å; L266-E336 HydrophobicContact CD2-CG 3.68Å
267A92.2Very high92.4Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-58.4-41.2176.600000112.2A261 T263 R264 I270 E271 I289 I309A261-A267 HydrophobicContact CB-CB 4.06Å; T263-A267 PolarHBondContact O-N 2.95Å; T263-A267 VanDerWaalsContact O-N 3.13Å; R264-A267 WeakPolarHBondContact O-CB 3.25Å; R264-A267 PolarHBondContact O-N 3.5Å; A267-I270 PolarHBondContact O-N 2.89Å; A267-E271 WeakPolarHBondContact O-CB 3.38Å; A267-E271 PolarHBondContact O-N 3.2Å; A267-I289 HydrophobicContact CB-CG2 3.5Å; A267-I309 HydrophobicContact CB-CG2 3.94Å; A267-I309 WeakPolarHBondContact O-CG2 3.45Å
268Q90Very high92.3Very high44 Ų4425 Ų2521%0.20612%0.119CC..Hα-helixtrans-65.6-40.4175.3-73.7175.3-49.500112.4R264 L266 I270 E271 E272 I289R264-Q268 WeakPolarHBondContact O-CG 3.31Å; R264-Q268 PolarHBondContact O-N 2.83Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 2.8Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 3.11Å; Q268-E271 WeakPolarHBondContact O-CB 3.29Å; Q268-E271 PolarHBondContact O-N 2.94Å; Q268-E271 VanDerWaalsContact O-N 3.17Å; Q268-E272 WeakPolarHBondContact O-CG 3.28Å; Q268-E272 PolarHBondContact O-N 3.01Å; Q268-I289 HydrophobicContact CG-CD1 3.58Å
269Q88.8Confident92.1Very high60 Ų6032 Ų3228%0.2815%0.151SC..Hα-helixtrans-62-41.2174.3-73.9166.520.600112.1E265 L266 E271 E273 G512 D514E265-Q269 WeakPolarHBondContact O-CG 3.41Å; E265-Q269 PolarHBondContact O-N 3.28Å; E265-Q269 VanDerWaalsContact O-N 3.13Å; L266-Q269 PolarHBondContact O-N 3.46Å; Q269-E271 VanDerWaalsContact C-N 3.32Å; Q269-E273 PolarHBondContact O-N 3.49Å; Q269-G512 PolarHBondContact NE2-O 2.95Å; Q269-D514 VanDerWaalsContact NE2-N 3.18Å
270I93.3Very high91.9Very high0 Ų035.1 Ų35.10%017%0.172CC..Hα-helixtrans-65.5-39.2175-63.5169.3000110.1T228 F231 I259 A261 L266 A267 Q268 E273 A274 I309 D335T228-I270 HydrophobicContact CG2-CB 4.45Å; T228-I270 HydrophobicContact CG2-CG1 4.37Å; T228-I270 HydrophobicContact CG2-CG2 4.14Å; F231-I270 HydrophobicContact CE2-CG2 4.41Å; F231-I270 HydrophobicContact CZ-CG2 4.23Å; I259-I270 HydrophobicContact CD1-CG2 4.1Å; I259-I270 HydrophobicContact CG2-CD1 4.01Å; I259-I270 HydrophobicContact CG2-CG2 3.91Å; A261-I270 HydrophobicContact CB-CD1 4.06Å; L266-I270 HydrophobicContact CD2-CD1 4.47Å; L266-I270 HydrophobicContact CG-CD1 4.03Å; L266-I270 HydrophobicContact CG-CG1 4.47Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.5Å; A267-I270 PolarHBondContact O-N 2.89Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 3.11Å; I270-E273 PolarHBondContact O-N 3.14Å; I270-A274 WeakPolarHBondContact O-CB 3.24Å; I270-A274 PolarHBondContact O-N 2.98Å; I270-I309 HydrophobicContact CB-CD1 4.37Å; I270-I309 HydrophobicContact CB-CG2 4.23Å; I270-I309 HydrophobicContact CG2-CD1 3.74Å; I270-I309 HydrophobicContact CG2-CG1 4.12Å; I270-I309 HydrophobicContact CG2-CG2 4.15Å; I270-D335 HydrophobicContact CD1-CB 4.23Å
271E94.2Very high91.7Very high46 Ų4635.8 Ų35.822%0.21518%0.175CC..Hα-helixtrans-63.7-49.6177.7179.3-178.6-146.300111.9A267 Q268 Q269 E273 A274 V275 S287 I309A267-E271 WeakPolarHBondContact O-CB 3.38Å; A267-E271 PolarHBondContact O-N 3.2Å; Q268-E271 WeakPolarHBondContact O-CB 3.29Å; Q268-E271 PolarHBondContact O-N 2.94Å; Q268-E271 VanDerWaalsContact O-N 3.17Å; Q269-E271 VanDerWaalsContact C-N 3.32Å; E271-E273 PolarHBondContact O-N 3.4Å; E271-A274 PolarHBondContact O-N 2.84Å; E271-V275 HydrophobicContact CG-CG2 4.33Å; E271-V275 WeakPolarHBondContact O-CB 3.31Å; E271-V275 VanDerWaalsContact O-CG2 3.26Å; E271-V275 WeakPolarHBondContact O-CG2 3.16Å; E271-V275 PolarHBondContact O-N 2.75Å; E271-S287 WeakPolarHBondContact OE1-CB 3.47Å; E271-S287 PolarHBondContact OE1-OG 2.67Å; E271-S287 VanDerWaalsContact OE2-CB 3.3Å; E271-S287 WeakPolarHBondContact OE2-CB 3.38Å; E271-S287 PolarHBondContact OE2-OG 3.28Å; E271-I309 HydrophobicContact CB-CD1 3.84Å
272E92.7Very high91.5Very high122 Ų12238.3 Ų38.357%0.5720%0.201SC*.Hα-helixtrans-54.7-43.9176.3-74.1176.5-16700111.3Q268 K276Q268-E272 WeakPolarHBondContact O-CG 3.28Å; Q268-E272 PolarHBondContact O-N 3.01Å; E272-K276 WeakPolarHBondContact O-CG 3.37Å; E272-K276 PolarHBondContact O-N 3.03Å
273E92.8Very high91.5Very high23 Ų2338.4 Ų38.411%0.10720%0.202CC..Hα-helixtrans-72.1-43.7179.5-156.158.6-149.500112Y197 T228 Q269 I270 E271 V275 K276 F277Y197-E273 VanDerWaalsContact CE2-OE1 3.28Å; Y197-E273 WeakPolarHBondContact CE2-OE1 3.37Å; Y197-E273 PolarHBondContact OH-OE1 2.84Å; T228-E273 HydrophobicContact CG2-CB 3.84Å; T228-E273 HydrophobicContact CG2-CG 3.99Å; Q269-E273 PolarHBondContact O-N 3.49Å; I270-E273 PolarHBondContact O-N 3.14Å; E271-E273 PolarHBondContact O-N 3.4Å; E273-V275 VanDerWaalsContact C-N 3.28Å; E273-V275 PolarHBondContact O-N 3.47Å; E273-K276 PolarHBondContact O-N 3.29Å; E273-K276 IonicContact OE2-NZ 3.69Å; E273-K276 PolarHBondContact OE2-NZ 3.48Å; E273-F277 HydrophobicContact CG-CD2 4.3Å; E273-F277 HydrophobicContact CG-CE2 4.16Å; E273-F277 WeakPolarHBondContact O-CD2 3.34Å; E273-F277 PolarHBondContact O-N 3.11Å; E273-F277 VanDerWaalsContact OE1-CE2 3.29Å; E273-F277 WeakPolarHBondContact OE1-CE2 3.1Å
274A95.5Very high91.7Very high2 Ų242.5 Ų42.52%0.01722%0.217CC..Hα-helixtrans-62.3-34.4176.900000112.4L232 I270 E271 G278 T285 I309L232-A274 HydrophobicContact CD1-CB 3.96Å; L232-A274 HydrophobicContact CD2-CB 4.1Å; I270-A274 WeakPolarHBondContact O-CB 3.24Å; I270-A274 PolarHBondContact O-N 2.98Å; E271-A274 PolarHBondContact O-N 2.84Å; A274-G278 WeakPolarHBondContact O-CA 3.49Å; A274-G278 PolarHBondContact O-N 2.88Å; A274-T285 HydrophobicContact CB-CG2 4.04Å; A274-I309 HydrophobicContact CB-CD1 3.91Å
275V95.6Very high92Very high53 Ų5342 Ų4232%0.32122%0.217SC..Hα-helixtrans-69.7-42175.3170.80000111.1E271 E273 F277 G278 Q279E271-V275 HydrophobicContact CG-CG2 4.33Å; E271-V275 WeakPolarHBondContact O-CB 3.31Å; E271-V275 VanDerWaalsContact O-CG2 3.26Å; E271-V275 WeakPolarHBondContact O-CG2 3.16Å; E271-V275 PolarHBondContact O-N 2.75Å; E273-V275 VanDerWaalsContact C-N 3.28Å; E273-V275 PolarHBondContact O-N 3.47Å; V275-F277 VanDerWaalsContact C-N 3.29Å; V275-F277 PolarHBondContact O-N 3.1Å; V275-G278 PolarHBondContact O-N 3.05Å; V275-Q279 HydrophobicContact CG1-CB 4.32Å; V275-Q279 WeakPolarHBondContact O-CB 3.31Å; V275-Q279 PolarHBondContact O-N 3.01Å
276K94Very high92.5Very high99 Ų9941.8 Ų41.843%0.4322%0.217SC..Hα-helixtrans-57.3-41.6176.6-72.3172.1-157.31620112.6V195 E272 E273 P280V195-K276 HydrophobicContact CG1-CB 4.35Å; V195-K276 HydrophobicContact CG1-CD 4.23Å; V195-K276 HydrophobicContact CG2-CB 4.14Å; E272-K276 WeakPolarHBondContact O-CG 3.37Å; E272-K276 PolarHBondContact O-N 3.03Å; E273-K276 PolarHBondContact O-N 3.29Å; E273-K276 IonicContact OE2-NZ 3.69Å; E273-K276 PolarHBondContact OE2-NZ 3.48Å; K276-P280 WeakPolarHBondContact O-CD 3.24Å; K276-P280 WeakPolarHBondContact O-CG 3.16Å
277F94Very high92.7Very high2 Ų241.8 Ų41.81%0.00922%0.218CC..Hα-helixtrans-82.5-40177.9-77.5-81.5000113.3V191 I192 V195 Y197 A229 L233 L236 E273 V275V191-F277 HydrophobicContact CG1-CD1 3.83Å; I192-F277 HydrophobicContact CG1-CE1 4.02Å; V195-F277 HydrophobicContact CB-CZ 4.36Å; V195-F277 HydrophobicContact CG1-CE2 4.16Å; V195-F277 HydrophobicContact CG1-CZ 4.19Å; V195-F277 HydrophobicContact CG2-CD1 4.48Å; V195-F277 HydrophobicContact CG2-CE1 4.43Å; Y197-F277 HydrophobicContact CD2-CE2 4.22Å; Y197-F277 AromaticContact CD2-CZ 3.58Å; Y197-F277 HydrophobicContact CD2-CZ 3.58Å; Y197-F277 AromaticContact CE2-CE2 3.67Å; Y197-F277 HydrophobicContact CE2-CE2 3.67Å; Y197-F277 AromaticContact CE2-CZ 3.51Å; Y197-F277 HydrophobicContact CE2-CZ 3.51Å; Y197-F277 HydrophobicContact CG-CZ 4.28Å; A229-F277 HydrophobicContact CB-CE2 4.19Å; A229-F277 HydrophobicContact CB-CZ 4.21Å; L233-F277 HydrophobicContact CD2-CD1 4.11Å; L233-F277 HydrophobicContact CD2-CE1 4.05Å; L236-F277 HydrophobicContact CD1-CB 3.6Å; L236-F277 HydrophobicContact CD1-CG 4.42Å; E273-F277 HydrophobicContact CG-CD2 4.3Å; E273-F277 HydrophobicContact CG-CE2 4.16Å; E273-F277 WeakPolarHBondContact O-CD2 3.34Å; E273-F277 PolarHBondContact O-N 3.11Å; E273-F277 VanDerWaalsContact OE1-CE2 3.29Å; E273-F277 WeakPolarHBondContact OE1-CE2 3.1Å; V275-F277 VanDerWaalsContact C-N 3.29Å; V275-F277 PolarHBondContact O-N 3.1Å
278G93Very high92.8Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-79.2-40.5-17200000114A274 V275 L281 G282 V283A274-G278 WeakPolarHBondContact O-CA 3.49Å; A274-G278 PolarHBondContact O-N 2.88Å; V275-G278 PolarHBondContact O-N 3.05Å; G278-L281 CarbonylContact O-C 3.57Å; G278-L281 WeakPolarHBondContact O-CA 3.27Å; G278-L281 PolarHBondContact O-N 3.16Å; G278-G282 PolarHBondContact O-N 3.18Å; G278-G282 VanDerWaalsContact O-N 3.09Å; G278-V283 CarbonylContact C-O 3.59Å; G278-V283 PolarHBondContact O-N 3.46Å
279Q92.1Very high92.9Very high146 Ų14639.7 Ų39.768%0.68221%0.208SC*.G310 helixtrans-60.4-44.6-175.9-174-17615.900113V275 L281 G282V275-Q279 HydrophobicContact CG1-CB 4.32Å; V275-Q279 WeakPolarHBondContact O-CB 3.31Å; V275-Q279 PolarHBondContact O-N 3.01Å; Q279-L281 PolarHBondContact O-N 3.07Å; Q279-G282 PolarHBondContact O-N 3.19Å; Q279-G282 VanDerWaalsContact O-N 3.14Å
280P92.7Very high92.6Very high66 Ų6638.5 Ų38.543%0.42921%0.211SC..G310 helixtrans-61.7-26.5174.6-2435.7000114V191 K276V191-P280 HydrophobicContact CG1-CG 4.35Å; V191-P280 HydrophobicContact CG2-CB 3.61Å; V191-P280 HydrophobicContact CG2-CG 4.24Å; K276-P280 WeakPolarHBondContact O-CD 3.24Å; K276-P280 WeakPolarHBondContact O-CG 3.16Å
281L91.8Very high91.9Very high14 Ų1441.6 Ų41.67%0.07324%0.243CC..G310 helixtrans-92.92.1-179.8-62.2177.8000112.6E187 V188 V191 L236 Q240 G278 Q279 V283E187-L281 HydrophobicContact CB-CD2 4.11Å; V188-L281 HydrophobicContact CG2-CD1 4.21Å; V188-L281 HydrophobicContact CG2-CD2 4.48Å; V191-L281 HydrophobicContact CG2-CD2 4.02Å; V191-L281 HydrophobicContact CG2-CG 4.17Å; L236-L281 HydrophobicContact CB-CD1 4.1Å; L236-L281 HydrophobicContact CD1-CD1 4.24Å; L236-L281 HydrophobicContact CD2-CD1 4.33Å; L236-L281 HydrophobicContact CG-CD1 4.46Å; Q240-L281 HydrophobicContact CG-CD2 4.49Å; Q240-L281 PolarHBondContact NE2-O 3.33Å; G278-L281 CarbonylContact O-C 3.57Å; G278-L281 WeakPolarHBondContact O-CA 3.27Å; G278-L281 PolarHBondContact O-N 3.16Å; Q279-L281 PolarHBondContact O-N 3.07Å; L281-V283 VanDerWaalsContact C-N 3.31Å; L281-V283 HydrophobicContact CB-CG2 4.16Å; L281-V283 PolarHBondContact O-N 3.48Å
282G89.9Confident91Very high53 Ų5342.3 Ų42.355%0.54625%0.249SC..THydrogen-bonded Turntrans69.824.4-177.100000114.2G278 Q279G278-G282 PolarHBondContact O-N 3.18Å; G278-G282 VanDerWaalsContact O-N 3.09Å; Q279-G282 PolarHBondContact O-N 3.19Å; Q279-G282 VanDerWaalsContact O-N 3.14Å
283V91.8Very high90.3Very high6 Ų639.7 Ų39.74%0.03624%0.244CC..  trans-96.6123.1177.3-1770000109.2L236 I239 G278 L281 E306 I307L236-V283 HydrophobicContact CD2-CB 4.08Å; L236-V283 HydrophobicContact CD2-CG1 4.05Å; L236-V283 HydrophobicContact CD2-CG2 3.83Å; I239-V283 HydrophobicContact CD1-CG1 4.1Å; I239-V283 HydrophobicContact CG2-CG2 3.9Å; G278-V283 CarbonylContact C-O 3.59Å; G278-V283 PolarHBondContact O-N 3.46Å; L281-V283 VanDerWaalsContact C-N 3.31Å; L281-V283 HydrophobicContact CB-CG2 4.16Å; L281-V283 PolarHBondContact O-N 3.48Å; V283-E306 HydrophobicContact CG1-CB 3.75Å; V283-E306 HydrophobicContact CG1-CG 4.36Å; V283-I307 HydrophobicContact CG1-CD1 3.77Å; V283-I307 HydrophobicContact CG1-CG1 3.95Å
284R92.1Very high89.6Confident96 Ų9646.5 Ų46.536%0.36227%0.268SS..  trans-91.5132.2-178.8-56167.7-72.2179.7-6.1110.1L303 G304 C305 E306 I307R284-L303 PolarHBondContact NH1-O 3.12Å; R284-G304 VanDerWaalsContact CZ-O 3.29Å; R284-G304 PolarHBondContact NE-O 2.94Å; R284-G304 PolarHBondContact NH1-O 2.82Å; R284-G304 VanDerWaalsContact NH1-O 3.14Å; R284-C305 HydrophobicContact CB-CB 4.39Å; R284-E306 WeakPolarHBondContact CA-OE2 3.24Å; R284-E306 WeakPolarHBondContact CB-OE2 3.29Å; R284-E306 IonicContact CZ-OE1 2.79Å; R284-E306 PolarHBondContact N-OE2 3.49Å; R284-E306 IonicContact NE-OE1 2.73Å; R284-E306 PolarHBondContact NE-OE1 2.92Å; R284-E306 IonicContact NE-OE2 2.86Å; R284-E306 PolarHBondContact NE-OE2 3.03Å; R284-E306 VanDerWaalsContact NE-OE2 3.14Å; R284-E306 IonicContact NH2-OE1 2.6Å; R284-E306 PolarHBondContact NH2-OE1 2.84Å; R284-E306 PolarHBondContact O-N 3.36Å; R284-E306 VanDerWaalsContact O-N 3.08Å; R284-I307 PolarHBondContact O-N 3.26Å; R284-I307 VanDerWaalsContact O-N 3.1Å
285T94.3Very high88.7Confident21 Ų2154.2 Ų54.213%0.12930%0.304CS..EExtended strand (participates in β ladder)trans-119.5133.3179.3-57.50000109.3A274 I307 I309A274-T285 HydrophobicContact CB-CG2 4.04Å; T285-I307 WeakPolarHBondContact CA-O 3.26Å; T285-I307 HydrophobicContact CG2-CB 4.28Å; T285-I307 HydrophobicContact CG2-CG2 4.21Å; T285-I309 HydrophobicContact CG2-CD1 3.4Å; T285-I309 VanDerWaalsContact CG2-CD1 3.4Å; T285-I309 HydrophobicContact CG2-CG1 4.01Å
286V93.5Very high88Confident14 Ų1454.9 Ų54.99%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-126131.3177.3174.80000110.2K300 L301 C305 I307 V308 I309V286-K300 HydrophobicContact CG1-CB 4.06Å; V286-K300 HydrophobicContact CG2-CB 4.33Å; V286-L301 HydrophobicContact CB-CD2 4.42Å; V286-L301 HydrophobicContact CG1-CD2 3.88Å; V286-L301 HydrophobicContact CG1-CG 4.23Å; V286-C305 HydrophobicContact CB-CB 4.16Å; V286-C305 HydrophobicContact CG2-CB 3.59Å; V286-I307 PolarHBondContact N-O 2.7Å; V286-V308 WeakPolarHBondContact O-CA 3.48Å; V286-I309 PolarHBondContact O-N 3Å
287S93.5Very high87.5Confident11 Ų1150.3 Ų50.38%0.07729%0.286CS..EExtended strand (participates in β ladder)trans-90.7128.7173.855.70000113.4E271 I309E271-S287 WeakPolarHBondContact OE1-CB 3.47Å; E271-S287 PolarHBondContact OE1-OG 2.67Å; E271-S287 VanDerWaalsContact OE2-CB 3.3Å; E271-S287 WeakPolarHBondContact OE2-CB 3.38Å; E271-S287 PolarHBondContact OE2-OG 3.28Å; S287-I309 CarbonylContact C-O 3.59Å; S287-I309 VanDerWaalsContact CA-O 3.26Å; S287-I309 WeakPolarHBondContact CA-O 3.41Å
288V93.4Very high86.8Confident0 Ų050.7 Ų50.70%029%0.291CS..EExtended strand (participates in β ladder)trans-115.877.8177.4-178.90000108.7L301 V308 I309 A310 T311 R314 V318V288-L301 HydrophobicContact CG2-CD1 4.09Å; V288-L301 HydrophobicContact CG2-CD2 4.01Å; V288-L301 HydrophobicContact CG2-CG 4.42Å; V288-V308 HydrophobicContact CB-CG1 4.34Å; V288-V308 HydrophobicContact CG2-CG1 3.85Å; V288-I309 PolarHBondContact N-O 3.27Å; V288-A310 HydrophobicContact CB-CB 3.83Å; V288-A310 HydrophobicContact CG1-CB 4.41Å; V288-A310 VanDerWaalsContact O-CA 3.26Å; V288-A310 WeakPolarHBondContact O-CA 3.21Å; V288-A310 WeakPolarHBondContact O-CB 3.19Å; V288-T311 PolarHBondContact O-N 2.94Å; V288-R314 HydrophobicContact CG1-CB 4.44Å; V288-R314 HydrophobicContact CG1-CG 3.77Å; V288-V318 HydrophobicContact CG1-CB 4.25Å; V288-V318 HydrophobicContact CG1-CG2 3.65Å
289I91.5Very high86.3Confident0 Ų056.7 Ų56.70%032%0.317CS..  trans-125.1156.4-172.362.9-174.7000111.7R264 A267 Q268 L292 Q297 T311R264-I289 HydrophobicContact CG-CB 4.1Å; R264-I289 HydrophobicContact CG-CD1 3.76Å; R264-I289 HydrophobicContact CG-CG1 4.14Å; A267-I289 HydrophobicContact CB-CG2 3.5Å; Q268-I289 HydrophobicContact CG-CD1 3.58Å; I289-L292 HydrophobicContact CD1-CD1 4.17Å; I289-L292 HydrophobicContact CG1-CD1 3.93Å; I289-L292 HydrophobicContact CG1-CG 4.41Å; I289-Q297 PolarHBondContact O-NE2 3.33Å; I289-T311 HydrophobicContact CG2-CG2 4.32Å
290G84.1Confident86.1Confident34 Ų3454 Ų5435%0.35130%0.303SS..THydrogen-bonded Turntrans-64.9151.2175.900000112.9R264R264-G290 WeakPolarHBondContact CD-O 3.05Å; R264-G290 PolarHBondContact NE-O 3.18Å; R264-G290 PolarHBondContact NH1-O 3.08Å
291G76.6Confident85.8Confident65 Ų6551.4 Ų51.467%0.6729%0.285SS*.THydrogen-bonded Turntrans83.69.4172.700000116.2R264R264-G291 PolarHBondContact NH1-O 2.86Å
292L76.1Confident85.3Confident62 Ų6259.9 Ų59.933%0.32532%0.316SS..SBendtrans-104.4157.5160.8-62.7174.8000109.5I289 R294 Q297I289-L292 HydrophobicContact CD1-CD1 4.17Å; I289-L292 HydrophobicContact CG1-CD1 3.93Å; I289-L292 HydrophobicContact CG1-CG 4.41Å; L292-R294 PolarHBondContact O-N 3.23Å; L292-Q297 HydrophobicContact CB-CG 4.26Å
293S78.2Confident85.1Confident67 Ų6762.3 Ų62.347%0.46932%0.316SS..  trans-59.7133.9176.9179.10000110.4E295 D296 Q297S293-E295 PolarHBondContact O-N 3.44Å; S293-E295 PolarHBondContact OG-N 3.49Å; S293-D296 PolarHBondContact O-N 2.98Å; S293-Q297 PolarHBondContact O-N 3.5Å; S293-Q297 VanDerWaalsContact O-N 3.15Å
294R78.1Confident84.8Confident165 Ų16562.3 Ų62.362%0.62332%0.318SS*.Hα-helixtrans-61.1-33.6176.8-57.9-167.9168.2-162.5-5.9111.3L292 G298L292-R294 PolarHBondContact O-N 3.23Å; R294-G298 PolarHBondContact O-N 3.32Å
295E76.6Confident84.7Confident165 Ų16558.1 Ų58.177%0.77130%0.303SS*.Hα-helixtrans-70.3-44.3-179.4-64.7177.8174.600111.6S293 Q297 G298 F299S293-E295 PolarHBondContact O-N 3.44Å; S293-E295 PolarHBondContact OG-N 3.49Å; E295-Q297 PolarHBondContact O-N 3.49Å; E295-G298 PolarHBondContact O-N 3.43Å; E295-F299 WeakPolarHBondContact O-CB 3.43Å; E295-F299 PolarHBondContact O-N 2.91Å
296D81.7Confident84.7Confident67 Ų6757.8 Ų57.836%0.35830%0.3SS..Hα-helixtrans-63.8-42.4177.1-175.947.5000111.2S293 F299 K300S293-D296 PolarHBondContact O-N 2.98Å; D296-F299 PolarHBondContact O-N 3.13Å; D296-K300 WeakPolarHBondContact O-CG 3.3Å; D296-K300 PolarHBondContact O-N 2.82Å; D296-K300 IonicContact OD1-NZ 3.73Å; D296-K300 WeakPolarHBondContact OD2-CE 3.44Å; D296-K300 IonicContact OD2-NZ 2.88Å; D296-K300 PolarHBondContact OD2-NZ 3.49Å
297Q81.6Confident84.8Confident3 Ų357.1 Ų57.11%0.01430%0.296CS..Hα-helixtrans-62.6-46.7173.9-72.4-178.2-21.200112.1I289 L292 S293 E295 F299 K300 L301I289-Q297 PolarHBondContact O-NE2 3.33Å; L292-Q297 HydrophobicContact CB-CG 4.26Å; S293-Q297 PolarHBondContact O-N 3.5Å; S293-Q297 VanDerWaalsContact O-N 3.15Å; E295-Q297 PolarHBondContact O-N 3.49Å; Q297-F299 VanDerWaalsContact C-N 3.31Å; Q297-F299 PolarHBondContact O-N 3.35Å; Q297-K300 PolarHBondContact O-N 2.78Å; Q297-L301 VanDerWaalsContact O-CG 3.29Å; Q297-L301 WeakPolarHBondContact O-CG 3.43Å; Q297-L301 PolarHBondContact O-N 3.37Å
298G79.3Confident84.9Confident10 Ų1056.6 Ų56.610%0.10329%0.292CS..Hα-helixtrans-61.5-39.2177.900000112.3R294 E295 R302R294-G298 PolarHBondContact O-N 3.32Å; E295-G298 PolarHBondContact O-N 3.43Å; G298-R302 VanDerWaalsContact O-CG 3.31Å; G298-R302 WeakPolarHBondContact O-CG 3.37Å; G298-R302 PolarHBondContact O-N 2.86Å; G298-R302 VanDerWaalsContact O-N 3.13Å
299F84.2Confident85Confident126 Ų12656.6 Ų56.655%0.55329%0.292SS*.Hα-helixtrans-65.4-46.5175.9-178-102.5000111.9E295 D296 Q297 L301 R302 L303E295-F299 WeakPolarHBondContact O-CB 3.43Å; E295-F299 PolarHBondContact O-N 2.91Å; D296-F299 PolarHBondContact O-N 3.13Å; Q297-F299 VanDerWaalsContact C-N 3.31Å; Q297-F299 PolarHBondContact O-N 3.35Å; F299-L301 VanDerWaalsContact C-N 3.33Å; F299-L301 PolarHBondContact O-N 2.95Å; F299-R302 WeakPolarHBondContact O-CB 3.45Å; F299-R302 PolarHBondContact O-N 2.9Å; F299-R302 VanDerWaalsContact O-N 3.15Å; F299-L303 HydrophobicContact CD1-CD1 4.42Å; F299-L303 HydrophobicContact CE1-CD1 3.98Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CZ-CD2 4.41Å; F299-L303 PolarHBondContact O-N 3.31Å
300K86.5Confident85.2Confident88 Ų8856.6 Ų56.638%0.38329%0.292SS..Hα-helixtrans-61.1-40176.9-74.4171.1177162.20112.6V286 D296 Q297 R302 L303V286-K300 HydrophobicContact CG1-CB 4.06Å; V286-K300 HydrophobicContact CG2-CB 4.33Å; D296-K300 WeakPolarHBondContact O-CG 3.3Å; D296-K300 PolarHBondContact O-N 2.82Å; D296-K300 IonicContact OD1-NZ 3.73Å; D296-K300 WeakPolarHBondContact OD2-CE 3.44Å; D296-K300 IonicContact OD2-NZ 2.88Å; D296-K300 PolarHBondContact OD2-NZ 3.49Å; Q297-K300 PolarHBondContact O-N 2.78Å; K300-R302 VanDerWaalsContact C-N 3.32Å; K300-R302 PolarHBondContact O-N 3.45Å; K300-L303 PolarHBondContact O-N 3.23Å
301L86.1Confident85.7Confident13 Ų1355.9 Ų55.97%0.06828%0.281CS..Hα-helixtrans-65-35.2176-70.7169.7000112.3V286 V288 Q297 F299 L303 G304 V308 V318 L324V286-L301 HydrophobicContact CB-CD2 4.42Å; V286-L301 HydrophobicContact CG1-CD2 3.88Å; V286-L301 HydrophobicContact CG1-CG 4.23Å; V288-L301 HydrophobicContact CG2-CD1 4.09Å; V288-L301 HydrophobicContact CG2-CD2 4.01Å; V288-L301 HydrophobicContact CG2-CG 4.42Å; Q297-L301 VanDerWaalsContact O-CG 3.29Å; Q297-L301 WeakPolarHBondContact O-CG 3.43Å; Q297-L301 PolarHBondContact O-N 3.37Å; F299-L301 VanDerWaalsContact C-N 3.33Å; F299-L301 PolarHBondContact O-N 2.95Å; L301-L303 VanDerWaalsContact C-N 3.28Å; L301-L303 PolarHBondContact O-N 3.37Å; L301-G304 PolarHBondContact O-N 2.89Å; L301-G304 VanDerWaalsContact O-N 3.07Å; L301-V308 HydrophobicContact CD2-CG2 4.11Å; L301-V318 HydrophobicContact CD1-CG1 3.51Å; L301-L324 HydrophobicContact CD1-CB 4.46Å; L301-L324 HydrophobicContact CD2-CD1 4.01Å; L301-L324 HydrophobicContact CD2-CD2 4.41Å
302R81.9Confident86.5Confident191 Ų19152.8 Ų52.872%0.72125%0.249SC*.Hα-helixtrans-68.4-22.9176-74.3175.1-176.8-156.91.6114.2G298 F299 K300 G304G298-R302 VanDerWaalsContact O-CG 3.31Å; G298-R302 WeakPolarHBondContact O-CG 3.37Å; G298-R302 PolarHBondContact O-N 2.86Å; G298-R302 VanDerWaalsContact O-N 3.13Å; F299-R302 WeakPolarHBondContact O-CB 3.45Å; F299-R302 PolarHBondContact O-N 2.9Å; F299-R302 VanDerWaalsContact O-N 3.15Å; K300-R302 VanDerWaalsContact C-N 3.32Å; K300-R302 PolarHBondContact O-N 3.45Å; R302-G304 PolarHBondContact O-N 3.29Å
303L85.5Confident87.3Confident104 Ų10450.5 Ų50.555%0.54524%0.241SC..THydrogen-bonded Turntrans-72.7-12.9172.6-64.7175000112.2R284 F299 K300 L301R284-L303 PolarHBondContact NH1-O 3.12Å; F299-L303 HydrophobicContact CD1-CD1 4.42Å; F299-L303 HydrophobicContact CE1-CD1 3.98Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CZ-CD2 4.41Å; F299-L303 PolarHBondContact O-N 3.31Å; K300-L303 PolarHBondContact O-N 3.23Å; L301-L303 VanDerWaalsContact C-N 3.28Å; L301-L303 PolarHBondContact O-N 3.37Å
304G85.6Confident88Confident7 Ų748.7 Ų48.77%0.07222%0.224CC..  trans79.4145.7-175.800000113.3R284 L301 R302R284-G304 VanDerWaalsContact CZ-O 3.29Å; R284-G304 PolarHBondContact NE-O 2.94Å; R284-G304 PolarHBondContact NH1-O 2.82Å; R284-G304 VanDerWaalsContact NH1-O 3.14Å; L301-G304 PolarHBondContact O-N 2.89Å; L301-G304 VanDerWaalsContact O-N 3.07Å; R302-G304 PolarHBondContact O-N 3.29Å
305C90.8Very high88.7Confident7 Ų740.8 Ų40.85%0.04719%0.194CC..  trans-151.5146-179.358.40000110.8P255 R284 V286 V308P255-C305 VanDerWaalsContact CA-O 3.28Å; P255-C305 WeakPolarHBondContact CA-O 3.3Å; R284-C305 HydrophobicContact CB-CB 4.39Å; V286-C305 HydrophobicContact CB-CB 4.16Å; V286-C305 HydrophobicContact CG2-CB 3.59Å; C305-V308 WeakPolarHBondContact SG-CG2 3.17Å
306E92.8Very high89.5Confident14 Ų1433.2 Ų33.27%0.06516%0.159CC..SBendtrans-82-30.2176-68.671.9-150.100111.9I239 P255 Y256 A257 V283 R284I239-E306 HydrophobicContact CD1-CB 4.21Å; P255-E306 WeakPolarHBondContact CB-O 3.21Å; Y256-E306 HydrophobicContact CD2-CB 3.99Å; Y256-E306 HydrophobicContact CD2-CG 3.9Å; Y256-E306 HydrophobicContact CE2-CG 4.05Å; Y256-E306 PolarHBondContact N-O 3.3Å; A257-E306 PolarHBondContact N-O 3.19Å; V283-E306 HydrophobicContact CG1-CB 3.75Å; V283-E306 HydrophobicContact CG1-CG 4.36Å; R284-E306 WeakPolarHBondContact CA-OE2 3.24Å; R284-E306 WeakPolarHBondContact CB-OE2 3.29Å; R284-E306 IonicContact CZ-OE1 2.79Å; R284-E306 PolarHBondContact N-OE2 3.49Å; R284-E306 IonicContact NE-OE1 2.73Å; R284-E306 PolarHBondContact NE-OE1 2.92Å; R284-E306 IonicContact NE-OE2 2.86Å; R284-E306 PolarHBondContact NE-OE2 3.03Å; R284-E306 VanDerWaalsContact NE-OE2 3.14Å; R284-E306 IonicContact NH2-OE1 2.6Å; R284-E306 PolarHBondContact NH2-OE1 2.84Å; R284-E306 PolarHBondContact O-N 3.36Å; R284-E306 VanDerWaalsContact O-N 3.08Å
307I95.6Very high90Very high1 Ų132.5 Ų32.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-127.1127.5-177.5-54.1-179.2000110.4L232 L235 L236 I239 A257 I259 V283 R284 T285 V286 I309L232-I307 HydrophobicContact CD2-CD1 4.46Å; L235-I307 HydrophobicContact CD2-CD1 3.69Å; L235-I307 HydrophobicContact CD2-CG1 4.02Å; L235-I307 HydrophobicContact CG-CD1 4.49Å; L236-I307 HydrophobicContact CD2-CD1 4.41Å; I239-I307 HydrophobicContact CD1-CG1 4.38Å; A257-I307 HydrophobicContact CB-CG1 4.49Å; I259-I307 HydrophobicContact CD1-CG2 3.73Å; V283-I307 HydrophobicContact CG1-CD1 3.77Å; V283-I307 HydrophobicContact CG1-CG1 3.95Å; R284-I307 PolarHBondContact O-N 3.26Å; R284-I307 VanDerWaalsContact O-N 3.1Å; T285-I307 WeakPolarHBondContact CA-O 3.26Å; T285-I307 HydrophobicContact CG2-CB 4.28Å; T285-I307 HydrophobicContact CG2-CG2 4.21Å; V286-I307 PolarHBondContact N-O 2.7Å; I307-I309 HydrophobicContact CG2-CG1 4.25Å
308V95.8Very high90.4Very high0 Ų032.6 Ų32.60%016%0.156CC..EExtended strand (participates in β ladder)trans-109.4128.3169168.60000109.8P255 A257 V258 I259 V286 V288 L301 C305 A310 L315 L324P255-V308 HydrophobicContact CB-CB 4.29Å; P255-V308 HydrophobicContact CB-CG2 3.83Å; P255-V308 HydrophobicContact CG-CB 4.03Å; P255-V308 HydrophobicContact CG-CG2 3.67Å; A257-V308 PolarHBondContact O-N 3.18Å; V258-V308 CarbonylContact C-O 3.41Å; V258-V308 WeakPolarHBondContact CA-O 3.38Å; I259-V308 PolarHBondContact N-O 3.29Å; V286-V308 WeakPolarHBondContact O-CA 3.48Å; V288-V308 HydrophobicContact CB-CG1 4.34Å; V288-V308 HydrophobicContact CG2-CG1 3.85Å; L301-V308 HydrophobicContact CD2-CG2 4.11Å; C305-V308 WeakPolarHBondContact SG-CG2 3.17Å; V308-A310 HydrophobicContact CG1-CB 4.21Å; V308-L315 HydrophobicContact CG1-CD1 4.26Å; V308-L324 HydrophobicContact CG1-CD2 4.26Å; V308-L324 HydrophobicContact CG2-CD2 4.05Å
309I96.6Very high91Very high0 Ų032.3 Ų32.30%015%0.152CC..EExtended strand (participates in β ladder)trans-111.2124.2173.1-59.3164.3000108.1I259 A267 I270 E271 A274 T285 V286 S287 V288 I307I259-I309 HydrophobicContact CB-CG1 4.13Å; I259-I309 HydrophobicContact CD1-CD1 4.45Å; I259-I309 HydrophobicContact CD1-CG1 3.88Å; I259-I309 CarbonylContact O-C 3.53Å; I259-I309 WeakPolarHBondContact O-CA 3.48Å; A267-I309 HydrophobicContact CB-CG2 3.94Å; A267-I309 WeakPolarHBondContact O-CG2 3.45Å; I270-I309 HydrophobicContact CB-CD1 4.37Å; I270-I309 HydrophobicContact CB-CG2 4.23Å; I270-I309 HydrophobicContact CG2-CD1 3.74Å; I270-I309 HydrophobicContact CG2-CG1 4.12Å; I270-I309 HydrophobicContact CG2-CG2 4.15Å; E271-I309 HydrophobicContact CB-CD1 3.84Å; A274-I309 HydrophobicContact CB-CD1 3.91Å; T285-I309 HydrophobicContact CG2-CD1 3.4Å; T285-I309 VanDerWaalsContact CG2-CD1 3.4Å; T285-I309 HydrophobicContact CG2-CG1 4.01Å; V286-I309 PolarHBondContact O-N 3Å; S287-I309 CarbonylContact C-O 3.59Å; S287-I309 VanDerWaalsContact CA-O 3.26Å; S287-I309 WeakPolarHBondContact CA-O 3.41Å; V288-I309 PolarHBondContact N-O 3.27Å; I307-I309 HydrophobicContact CG2-CG1 4.25Å
310A95.3Very high91.4Very high0 Ų031.9 Ų31.90%015%0.152CC..EExtended strand (participates in β ladder)trans-146.1155.3-169.500000114.4I259 M260 A261 V288 V308 L315I259-A310 PolarHBondContact O-N 2.82Å; M260-A310 VanDerWaalsContact CA-O 3.3Å; M260-A310 WeakPolarHBondContact CA-O 3.31Å; A261-A310 PolarHBondContact N-O 2.98Å; V288-A310 HydrophobicContact CB-CB 3.83Å; V288-A310 HydrophobicContact CG1-CB 4.41Å; V288-A310 VanDerWaalsContact O-CA 3.26Å; V288-A310 WeakPolarHBondContact O-CA 3.21Å; V288-A310 WeakPolarHBondContact O-CB 3.19Å; V308-A310 HydrophobicContact CG1-CB 4.21Å; A310-L315 HydrophobicContact CB-CB 3.77Å; A310-L315 HydrophobicContact CB-CD1 4.12Å; A310-L315 HydrophobicContact CB-CD2 4.09Å; A310-L315 HydrophobicContact CB-CG 4.21Å
311T94.5Very high91.5Very high18 Ų1832 Ų3211%0.1116%0.157CC..  trans-84.8134.8160.8530000109.4A261 V288 I289 G313 R314 L315A261-T311 WeakPolarHBondContact O-CA 3.36Å; V288-T311 PolarHBondContact O-N 2.94Å; I289-T311 HydrophobicContact CG2-CG2 4.32Å; T311-G313 PolarHBondContact O-N 3.39Å; T311-R314 PolarHBondContact O-N 3.06Å; T311-R314 WeakPolarHBondContact OG1-CB 3.3Å; T311-L315 PolarHBondContact O-N 2.92Å
312P93.9Very high91.5Very high0 Ų041.7 Ų41.70%019%0.192CC..Hα-helixtrans-49.5-48.6-171.7-3134.2000114.8M260 A261 R314 L315 V316 M340 F345 F348 V349M260-P312 HydrophobicContact CB-CG 4.4Å; A261-P312 VanDerWaalsContact O-CD 3.27Å; A261-P312 WeakPolarHBondContact O-CD 3.13Å; P312-R314 PolarHBondContact O-N 3.28Å; P312-L315 PolarHBondContact O-N 3.1Å; P312-V316 WeakPolarHBondContact O-CG2 3.46Å; P312-V316 PolarHBondContact O-N 2.89Å; P312-M340 HydrophobicContact CG-CE 4.24Å; P312-M340 HydrophobicContact CG-SD 4.12Å; P312-F345 HydrophobicContact CB-CB 4.23Å; P312-F345 HydrophobicContact CB-CD1 4.39Å; P312-F345 HydrophobicContact CB-CG 4.32Å; P312-F345 HydrophobicContact CG-CB 4.19Å; P312-F345 HydrophobicContact CG-CD2 4.5Å; P312-F345 HydrophobicContact CG-CG 4.27Å; P312-F348 HydrophobicContact CB-CB 3.79Å; P312-V349 HydrophobicContact CB-CG2 4.23Å; P312-V349 HydrophobicContact CG-CG2 4.09Å
313G92.8Very high91.8Very high15 Ų1538.4 Ų38.416%0.15518%0.181CC..Hα-helixtrans-60.6-44.3179.700000113.4T311 L315 V316 D317T311-G313 PolarHBondContact O-N 3.39Å; G313-L315 VanDerWaalsContact C-N 3.33Å; G313-L315 PolarHBondContact O-N 2.83Å; G313-V316 PolarHBondContact O-N 2.9Å; G313-D317 PolarHBondContact O-N 3.19Å; G313-D317 VanDerWaalsContact O-N 3.16Å
314R91.8Very high92.1Very high28 Ų2834.1 Ų34.111%0.10616%0.158CC..Hα-helixtrans-67.9-34.7178.3-170.966.6-175.6127.111.9112V288 T311 P312 D317 V318V288-R314 HydrophobicContact CG1-CB 4.44Å; V288-R314 HydrophobicContact CG1-CG 3.77Å; T311-R314 PolarHBondContact O-N 3.06Å; T311-R314 WeakPolarHBondContact OG1-CB 3.3Å; P312-R314 PolarHBondContact O-N 3.28Å; R314-D317 IonicContact NH1-OD2 2.67Å; R314-D317 PolarHBondContact O-N 2.91Å; R314-V318 WeakPolarHBondContact O-CG2 3.33Å; R314-V318 PolarHBondContact O-N 2.78Å
315L94.1Very high92.4Very high0 Ų036.3 Ų36.30%017%0.17CC..Hα-helixtrans-65.2-45.2176.7-17556.9000111.2V258 M260 V308 A310 T311 P312 G313 D317 V318 L319 L324 V352V258-L315 HydrophobicContact CG1-CD2 3.48Å; V258-L315 VanDerWaalsContact CG1-CD2 3.48Å; M260-L315 HydrophobicContact CG-CD2 4.21Å; M260-L315 HydrophobicContact SD-CD2 4.45Å; V308-L315 HydrophobicContact CG1-CD1 4.26Å; A310-L315 HydrophobicContact CB-CB 3.77Å; A310-L315 HydrophobicContact CB-CD1 4.12Å; A310-L315 HydrophobicContact CB-CD2 4.09Å; A310-L315 HydrophobicContact CB-CG 4.21Å; T311-L315 PolarHBondContact O-N 2.92Å; P312-L315 PolarHBondContact O-N 3.1Å; G313-L315 VanDerWaalsContact C-N 3.33Å; G313-L315 PolarHBondContact O-N 2.83Å; L315-D317 VanDerWaalsContact C-N 3.35Å; L315-D317 PolarHBondContact O-N 3.35Å; L315-V318 PolarHBondContact O-N 3.44Å; L315-V318 VanDerWaalsContact O-N 3.13Å; L315-L319 HydrophobicContact CD1-CD1 4.4Å; L315-L319 HydrophobicContact CD1-CG 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.01Å; L315-L319 HydrophobicContact CG-CG 4.46Å; L315-L319 WeakPolarHBondContact O-CG 3.17Å; L315-L319 PolarHBondContact O-N 2.88Å; L315-L324 HydrophobicContact CD1-CD2 3.93Å; L315-V352 HydrophobicContact CB-CG2 4.27Å; L315-V352 HydrophobicContact CD2-CB 4.39Å; L315-V352 HydrophobicContact CD2-CG1 3.66Å; L315-V352 HydrophobicContact CD2-CG2 3.72Å; L315-V352 HydrophobicContact CG-CG1 4.46Å; L315-V352 HydrophobicContact CG-CG2 3.94Å
316V93.9Very high92.5Very high6 Ų636 Ų364%0.03617%0.168CC..Hα-helixtrans-58.1-46.4175.9173.90000111P312 G313 V318 L319 E320 F348 A351 V352P312-V316 WeakPolarHBondContact O-CG2 3.46Å; P312-V316 PolarHBondContact O-N 2.89Å; G313-V316 PolarHBondContact O-N 2.9Å; V316-V318 PolarHBondContact O-N 2.83Å; V316-L319 PolarHBondContact O-N 2.86Å; V316-L319 VanDerWaalsContact O-N 3.14Å; V316-E320 HydrophobicContact CG1-CG 4.06Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.44Å; V316-E320 WeakPolarHBondContact O-CB 3.31Å; V316-E320 WeakPolarHBondContact O-CG 3.3Å; V316-E320 PolarHBondContact O-N 3.25Å; V316-F348 HydrophobicContact CB-CD1 4.25Å; V316-F348 HydrophobicContact CG2-CB 4.09Å; V316-F348 HydrophobicContact CG2-CD1 4.08Å; V316-F348 WeakPolarHBondContact CG2-O 3.45Å; V316-A351 HydrophobicContact CG1-CB 4.41Å; V316-A351 HydrophobicContact CG2-CB 3.93Å; V316-V352 HydrophobicContact CG2-CG2 3.66Å
317D91.1Very high92.5Very high52 Ų5239.6 Ų39.628%0.27819%0.188SC..Hα-helixtrans-54.2-42.3175.8-69-15000112.1G313 R314 L315 N321G313-D317 PolarHBondContact O-N 3.19Å; G313-D317 VanDerWaalsContact O-N 3.16Å; R314-D317 IonicContact NH1-OD2 2.67Å; R314-D317 PolarHBondContact O-N 2.91Å; L315-D317 VanDerWaalsContact C-N 3.35Å; L315-D317 PolarHBondContact O-N 3.35Å; D317-N321 WeakPolarHBondContact O-CB 3.43Å; D317-N321 PolarHBondContact O-N 3.41Å; D317-N321 PolarHBondContact O-ND2 3.27Å
318V90.8Very high92.3Very high4 Ų440.7 Ų40.72%0.02419%0.193CC..Hα-helixtrans-71.5-36.5-177.5170.30000111.1V288 L301 R314 L315 V316 R322 Y323 L324V288-V318 HydrophobicContact CG1-CB 4.25Å; V288-V318 HydrophobicContact CG1-CG2 3.65Å; L301-V318 HydrophobicContact CD1-CG1 3.51Å; R314-V318 WeakPolarHBondContact O-CG2 3.33Å; R314-V318 PolarHBondContact O-N 2.78Å; L315-V318 PolarHBondContact O-N 3.44Å; L315-V318 VanDerWaalsContact O-N 3.13Å; V316-V318 PolarHBondContact O-N 2.83Å; V318-R322 PolarHBondContact O-N 2.83Å; V318-Y323 PolarHBondContact O-N 2.64Å; V318-L324 HydrophobicContact CG1-CB 3.54Å
319L92.2Very high92.2Very high5 Ų540.7 Ų40.73%0.02619%0.193CC..Hα-helixtrans-70.6-45.3176.1-66.6170000112.1L315 V316 N321 R322 L324 L326 V352 Y355L315-L319 HydrophobicContact CD1-CD1 4.4Å; L315-L319 HydrophobicContact CD1-CG 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.01Å; L315-L319 HydrophobicContact CG-CG 4.46Å; L315-L319 WeakPolarHBondContact O-CG 3.17Å; L315-L319 PolarHBondContact O-N 2.88Å; V316-L319 PolarHBondContact O-N 2.86Å; V316-L319 VanDerWaalsContact O-N 3.14Å; L319-N321 VanDerWaalsContact C-N 3.29Å; L319-N321 PolarHBondContact O-N 3.18Å; L319-R322 PolarHBondContact O-N 3.38Å; L319-L324 HydrophobicContact CD2-CB 4.28Å; L319-L324 HydrophobicContact CD2-CD2 4.47Å; L319-L324 HydrophobicContact CD2-CG 4.37Å; L319-L326 HydrophobicContact CD1-CD1 4Å; L319-L326 HydrophobicContact CD2-CD1 4.02Å; L319-L326 HydrophobicContact CD2-CD2 4.46Å; L319-L326 HydrophobicContact CD2-CG 3.77Å; L319-V352 HydrophobicContact CD1-CB 4.41Å; L319-V352 HydrophobicContact CD1-CG1 4.28Å; L319-V352 HydrophobicContact CD1-CG2 4.12Å; L319-Y355 HydrophobicContact CB-CD1 4.38Å; L319-Y355 HydrophobicContact CB-CD2 3.93Å; L319-Y355 HydrophobicContact CB-CE1 4.38Å; L319-Y355 HydrophobicContact CB-CE2 3.94Å; L319-Y355 HydrophobicContact CB-CG 4.17Å; L319-Y355 HydrophobicContact CD1-CD2 3.77Å; L319-Y355 HydrophobicContact CD1-CE2 4.46Å; L319-Y355 HydrophobicContact CD1-CG 4.13Å; L319-Y355 HydrophobicContact CG-CD2 4.41Å
320E91.9Very high92Very high117 Ų11741 Ų4155%0.54720%0.195SC..Hα-helixtrans-60.4-39.3178.2-76.1-178.2173.500112V316 R322 Y355V316-E320 HydrophobicContact CG1-CG 4.06Å; V316-E320 WeakPolarHBondContact CG1-OE1 3.44Å; V316-E320 WeakPolarHBondContact O-CB 3.31Å; V316-E320 WeakPolarHBondContact O-CG 3.3Å; V316-E320 PolarHBondContact O-N 3.25Å; E320-R322 VanDerWaalsContact C-N 3.25Å; E320-R322 PolarHBondContact O-N 3.1Å; E320-Y355 WeakPolarHBondContact CG-OH 3.3Å
321N88Confident92.1Very high90 Ų9041.2 Ų41.248%0.48120%0.195SC..THydrogen-bonded Turntrans-82.92.6176.8-69-64.8000113.7D317 L319 Y323D317-N321 WeakPolarHBondContact O-CB 3.43Å; D317-N321 PolarHBondContact O-N 3.41Å; D317-N321 PolarHBondContact O-ND2 3.27Å; L319-N321 VanDerWaalsContact C-N 3.29Å; L319-N321 PolarHBondContact O-N 3.18Å; N321-Y323 HydrophobicContact CB-CD2 3.47Å; N321-Y323 VanDerWaalsContact CB-CD2 3.47Å; N321-Y323 HydrophobicContact CB-CE2 3.41Å; N321-Y323 VanDerWaalsContact CB-CE2 3.41Å; N321-Y323 HydrophobicContact CB-CG 4.46Å; N321-Y323 PolarHBondContact O-N 2.96Å
322R87.3Confident92.1Very high217 Ų21740.3 Ų40.382%0.81919%0.19SC*.THydrogen-bonded Turntrans55.830-178.9-54.7-174.4176.7-157.8-1.3114.6V318 L319 E320V318-R322 PolarHBondContact O-N 2.83Å; L319-R322 PolarHBondContact O-N 3.38Å; E320-R322 VanDerWaalsContact C-N 3.25Å; E320-R322 PolarHBondContact O-N 3.1Å
323Y87.2Confident92.2Very high121 Ų12140.3 Ų40.348%0.47519%0.19SC..SBendtrans-74.5-20.6169.3-69.6-61000112V318 N321V318-Y323 PolarHBondContact O-N 2.64Å; N321-Y323 HydrophobicContact CB-CD2 3.47Å; N321-Y323 VanDerWaalsContact CB-CD2 3.47Å; N321-Y323 HydrophobicContact CB-CE2 3.41Å; N321-Y323 VanDerWaalsContact CB-CE2 3.41Å; N321-Y323 HydrophobicContact CB-CG 4.46Å; N321-Y323 PolarHBondContact O-N 2.96Å
324L91.1Very high92.4Very high14 Ų1439.7 Ų39.77%0.07318%0.183CC..  trans-139147176.1-174.762.7000108.9L301 V308 L315 V318 L319 L326L301-L324 HydrophobicContact CD1-CB 4.46Å; L301-L324 HydrophobicContact CD2-CD1 4.01Å; L301-L324 HydrophobicContact CD2-CD2 4.41Å; V308-L324 HydrophobicContact CG1-CD2 4.26Å; V308-L324 HydrophobicContact CG2-CD2 4.05Å; L315-L324 HydrophobicContact CD1-CD2 3.93Å; V318-L324 HydrophobicContact CG1-CB 3.54Å; L319-L324 HydrophobicContact CD2-CB 4.28Å; L319-L324 HydrophobicContact CD2-CD2 4.47Å; L319-L324 HydrophobicContact CD2-CG 4.37Å; L324-L326 HydrophobicContact CD2-CD2 4.26Å; L324-L326 HydrophobicContact CG-CD2 4.49Å
325V92.7Very high92.4Very high53 Ų5338.4 Ų38.432%0.32118%0.179SC..  trans-121.4159.3167.7-65.70000109.1D252 G254 P255D252-V325 WeakPolarHBondContact O-CG2 3.44Å; G254-V325 VanDerWaalsContact CA-O 3.24Å; G254-V325 WeakPolarHBondContact CA-O 3.46Å; P255-V325 WeakPolarHBondContact CD-O 2.93Å
326L93.6Very high92.2Very high2 Ų238.7 Ų38.71%0.0118%0.18CC..  trans-119.930.1-178.2-63.4-179.4000112.4P255 V258 L319 L324 Q328 C329 V352 M356 P357P255-L326 HydrophobicContact CG-CD2 3.82Å; V258-L326 HydrophobicContact CG2-CD1 4.31Å; V258-L326 HydrophobicContact CG2-CD2 3.43Å; V258-L326 VanDerWaalsContact CG2-CD2 3.43Å; L319-L326 HydrophobicContact CD1-CD1 4Å; L319-L326 HydrophobicContact CD2-CD1 4.02Å; L319-L326 HydrophobicContact CD2-CD2 4.46Å; L319-L326 HydrophobicContact CD2-CG 3.77Å; L324-L326 HydrophobicContact CD2-CD2 4.26Å; L324-L326 HydrophobicContact CG-CD2 4.49Å; L326-Q328 VanDerWaalsContact C-N 3.29Å; L326-Q328 PolarHBondContact O-N 3.07Å; L326-C329 HydrophobicContact CB-CB 3.94Å; L326-C329 HydrophobicContact CD2-CB 4.26Å; L326-C329 WeakPolarHBondContact O-CB 3.46Å; L326-C329 PolarHBondContact O-N 3.35Å; L326-V352 HydrophobicContact CD1-CG1 4.06Å; L326-M356 HydrophobicContact CB-CG 3.87Å; L326-M356 HydrophobicContact CD1-CG 3.98Å; L326-P357 WeakPolarHBondContact O-CD 3.15Å
327N91.6Very high92.1Very high88 Ų8838.4 Ų38.447%0.47118%0.178SC..THydrogen-bonded Turntrans-63.1-34.2-172.1-67.6-13.2000112.7Q253 P357Q253-N327 HydrophobicContact CB-CB 4.32Å; Q253-N327 PolarHBondContact O-N 3.48Å; Q253-N327 PolarHBondContact OE1-ND2 2.73Å; N327-P357 VanDerWaalsContact O-CG 3.31Å; N327-P357 WeakPolarHBondContact O-CG 3.46Å
328Q91.5Very high91.8Very high25 Ų2536.1 Ų36.112%0.11717%0.166CC..THydrogen-bonded Turntrans-102.810.617773-180-22.300114.7D250 Q253 G254 Y256 L326 T330D250-Q328 VanDerWaalsContact CB-OE1 3.31Å; D250-Q328 PolarHBondContact O-NE2 2.81Å; Q253-Q328 HydrophobicContact CB-CB 4.11Å; Q253-Q328 HydrophobicContact CB-CG 3.98Å; Q253-Q328 PolarHBondContact O-N 3.16Å; G254-Q328 PolarHBondContact O-NE2 2.79Å; Y256-Q328 HydrophobicContact CD1-CB 4.48Å; Y256-Q328 HydrophobicContact CD1-CG 4.05Å; Y256-Q328 HydrophobicContact CE1-CB 4.45Å; Y256-Q328 HydrophobicContact CE1-CG 4.11Å; L326-Q328 VanDerWaalsContact C-N 3.29Å; L326-Q328 PolarHBondContact O-N 3.07Å; Q328-T330 PolarHBondContact O-N 2.99Å; Q328-T330 VanDerWaalsContact O-N 3.12Å
329C94Very high91.6Very high0 Ų036.2 Ų36.20%017%0.166CC..  trans-70.6111.2-178.1-176.90000110.6P255 L326 M356 N360P255-C329 WeakPolarHBondContact O-CA 3.24Å; P255-C329 PolarHBondContact O-N 3.28Å; L326-C329 HydrophobicContact CB-CB 3.94Å; L326-C329 HydrophobicContact CD2-CB 4.26Å; L326-C329 WeakPolarHBondContact O-CB 3.46Å; L326-C329 PolarHBondContact O-N 3.35Å; C329-M356 HydrophobicContact CB-CG 4.24Å; C329-M356 HydrophobicContact CB-SD 4.05Å; C329-M356 VanDerWaalsContact SG-SD 3.65Å; C329-N360 PolarHBondContact O-ND2 3Å
330T93.2Very high91.5Very high7 Ų736 Ų364%0.04317%0.165CC..  trans-116.64.8-178.4600000112.8W238 Y256 Q328 K383 R385 Q386W238-T330 VanDerWaalsContact CH2-OG1 3.26Å; W238-T330 WeakPolarHBondContact CH2-OG1 3.25Å; Y256-T330 PolarHBondContact O-N 3.44Å; Q328-T330 PolarHBondContact O-N 2.99Å; Q328-T330 VanDerWaalsContact O-N 3.12Å; T330-K383 HydrophobicContact CG2-CG 4.29Å; T330-K383 WeakPolarHBondContact OG1-CE 3.32Å; T330-K383 PolarHBondContact OG1-NZ 3.48Å; T330-R385 CarbonylContact O-C 3.49Å; T330-R385 VanDerWaalsContact O-CA 3.26Å; T330-R385 WeakPolarHBondContact O-CA 2.83Å; T330-Q386 PolarHBondContact O-N 2.68Å
331Y95.8Very high91.3Very high3 Ų331.9 Ų31.91%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-143.8117.9-177.8-155.8-95.4000110.5F231 L235 Y256 A257 V258 I333 Q386 V388F231-Y331 HydrophobicContact CB-CE1 4.39Å; F231-Y331 PolarHBondContact O-OH 3.15Å; L235-Y331 HydrophobicContact CB-CD1 4.15Å; L235-Y331 HydrophobicContact CB-CE1 4.15Å; L235-Y331 HydrophobicContact CB-CG 4.5Å; L235-Y331 HydrophobicContact CD1-CD1 4.21Å; L235-Y331 HydrophobicContact CD1-CG 4.03Å; L235-Y331 HydrophobicContact CD2-CD1 4.17Å; L235-Y331 HydrophobicContact CG-CD1 4.41Å; Y256-Y331 PolarHBondContact O-N 3.25Å; A257-Y331 VanDerWaalsContact CA-O 3.23Å; A257-Y331 WeakPolarHBondContact CA-O 3.4Å; A257-Y331 HydrophobicContact CB-CD1 4.32Å; V258-Y331 PolarHBondContact N-O 3.49Å; Y331-I333 HydrophobicContact CD1-CD1 3.21Å; Y331-I333 HydrophobicContact CD1-CG1 3.92Å; Y331-I333 HydrophobicContact CE1-CD1 3.45Å; Y331-I333 VanDerWaalsContact CE1-CD1 3.45Å; Y331-I333 HydrophobicContact CE1-CG1 3.61Å; Y331-I333 HydrophobicContact CG-CD1 4.4Å; Y331-Q386 WeakPolarHBondContact CA-O 3.42Å; Y331-Q386 HydrophobicContact CD2-CB 3.78Å; Y331-Q386 HydrophobicContact CD2-CG 4.37Å; Y331-Q386 HydrophobicContact CE2-CB 3.99Å; Y331-Q386 HydrophobicContact CE2-CG 4.07Å; Y331-V388 HydrophobicContact CE1-CG2 4.49Å
332V96Very high91.2Very high0 Ų032.2 Ų32.20%015%0.148CC..EExtended strand (participates in β ladder)trans-122.7125.6-174.6-178.70000109.2M260 L353 M356 R385 Q386 T387 V388M260-V332 HydrophobicContact CE-CG1 3.74Å; V332-L353 HydrophobicContact CG1-CD2 3.98Å; V332-M356 HydrophobicContact CG2-CE 3.51Å; V332-M356 HydrophobicContact CG2-SD 3.48Å; V332-M356 WeakPolarHBondContact CG2-SD 3.27Å; V332-R385 HydrophobicContact CG2-CG 4.03Å; V332-Q386 PolarHBondContact N-O 3.11Å; V332-T387 HydrophobicContact CB-CG2 4.24Å; V332-T387 HydrophobicContact CG1-CG2 4.34Å; V332-T387 CarbonylContact O-C 3.43Å; V332-T387 WeakPolarHBondContact O-CA 3.39Å; V332-V388 PolarHBondContact O-N 2.72Å
333I96.5Very high91.1Very high0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-119.5131179.3-49.577.9000109.5F231 V258 I259 M260 Y331 V388 F390F231-I333 HydrophobicContact CB-CG1 4.29Å; F231-I333 HydrophobicContact CD1-CG2 4Å; F231-I333 HydrophobicContact CD2-CG1 3.92Å; F231-I333 HydrophobicContact CD2-CG2 4.2Å; F231-I333 HydrophobicContact CE1-CG2 4.07Å; F231-I333 HydrophobicContact CE2-CG1 4.47Å; F231-I333 HydrophobicContact CE2-CG2 4.34Å; F231-I333 HydrophobicContact CG-CG1 4.17Å; F231-I333 HydrophobicContact CG-CG2 4.03Å; F231-I333 HydrophobicContact CZ-CG2 4.25Å; V258-I333 PolarHBondContact O-N 2.87Å; I259-I333 HydrophobicContact CB-CB 4.31Å; I259-I333 HydrophobicContact CB-CD1 4.34Å; I259-I333 HydrophobicContact CG1-CB 4.09Å; I259-I333 HydrophobicContact CG1-CD1 3.41Å; I259-I333 VanDerWaalsContact CG1-CD1 3.41Å; I259-I333 HydrophobicContact CG1-CG1 3.99Å; I259-I333 HydrophobicContact CG2-CB 4.1Å; I259-I333 HydrophobicContact CG2-CG2 4.32Å; M260-I333 PolarHBondContact N-O 3.06Å; Y331-I333 HydrophobicContact CD1-CD1 3.21Å; Y331-I333 HydrophobicContact CD1-CG1 3.92Å; Y331-I333 HydrophobicContact CE1-CD1 3.45Å; Y331-I333 VanDerWaalsContact CE1-CD1 3.45Å; Y331-I333 HydrophobicContact CE1-CG1 3.61Å; Y331-I333 HydrophobicContact CG-CD1 4.4Å; I333-V388 CarbonylContact C-O 3.45Å; I333-V388 VanDerWaalsContact CA-O 3.28Å; I333-V388 WeakPolarHBondContact CA-O 2.93Å; I333-F390 HydrophobicContact CG2-CD2 4.48Å
334L95Very high91.3Very high1 Ų121.8 Ų21.81%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-112.996.1169.4-57.7175.4000107.7M260 A337 M340 V349 V388 M389 F390 Y405M260-L334 HydrophobicContact CB-CD2 4.11Å; M260-L334 HydrophobicContact CE-CD2 3.34Å; M260-L334 HydrophobicContact SD-CD2 3.94Å; L334-A337 HydrophobicContact CB-CB 4.36Å; L334-M340 HydrophobicContact CD2-SD 4.26Å; L334-V349 HydrophobicContact CD1-CG1 4.23Å; L334-V349 HydrophobicContact CD2-CG1 3.72Å; L334-V349 HydrophobicContact CD2-CG2 4.37Å; L334-V388 PolarHBondContact N-O 2.73Å; L334-M389 HydrophobicContact CB-CG 4.4Å; L334-M389 HydrophobicContact CD1-CE 3.66Å; L334-F390 PolarHBondContact O-N 3.34Å; L334-Y405 HydrophobicContact CD1-CD2 3.82Å; L334-Y405 HydrophobicContact CD1-CE2 4.2Å
335D93.8Very high91.2Very high2 Ų222.9 Ų22.91%0.01113%0.13CC..EExtended strand (participates in β ladder)trans-90.5134.6175.3-165.215.8000110.8K227 M260 P262 L266 I270 M340 F390K227-D335 IonicContact NZ-OD1 3.86Å; K227-D335 PolarHBondContact NZ-OD1 3.01Å; M260-D335 PolarHBondContact O-N 3.48Å; P262-D335 WeakPolarHBondContact CD-O 3.46Å; L266-D335 HydrophobicContact CD2-CB 4.42Å; I270-D335 HydrophobicContact CD1-CB 4.23Å; D335-M340 WeakPolarHBondContact O-CE 3.4Å; D335-F390 WeakPolarHBondContact OD1-CB 3.28Å
336E89.7Confident91.1Very high5 Ų523.6 Ų23.62%0.02313%0.129CC..THydrogen-bonded Turntrans56.252.8-171.8-56.9-168.6150.300113.2T223 P262 L266 D338 K339 M340 F390T223-E336 WeakPolarHBondContact CG2-OE1 3.48Å; P262-E336 HydrophobicContact CG-CB 3.83Å; L266-E336 HydrophobicContact CD2-CB 4.21Å; L266-E336 HydrophobicContact CD2-CG 3.68Å; E336-D338 VanDerWaalsContact C-N 3.29Å; E336-D338 PolarHBondContact O-N 3.03Å; E336-K339 HydrophobicContact CB-CB 4.25Å; E336-K339 HydrophobicContact CB-CD 4.3Å; E336-K339 HydrophobicContact CB-CG 4.28Å; E336-K339 PolarHBondContact O-N 2.95Å; E336-K339 VanDerWaalsContact O-N 3.08Å; E336-K339 IonicContact OE1-NZ 3.26Å; E336-K339 PolarHBondContact OE1-NZ 2.81Å; E336-K339 WeakPolarHBondContact OE2-CD 3.45Å; E336-K339 VanDerWaalsContact OE2-CE 3.23Å; E336-K339 WeakPolarHBondContact OE2-CE 3.21Å; E336-K339 IonicContact OE2-NZ 3.11Å; E336-K339 PolarHBondContact OE2-NZ 3.36Å; E336-M340 PolarHBondContact O-N 3.06Å; E336-F390 WeakPolarHBondContact CA-O 3.14Å; E336-F390 PolarHBondContact N-O 2.72Å
337A90.2Very high91Very high0 Ų027.4 Ų27.40%015%0.154CC..Hα-helixtrans-60.8-33.5-178.200000113.8L334 M340 L341 M389 F390 L401L334-A337 HydrophobicContact CB-CB 4.36Å; A337-M340 WeakPolarHBondContact O-CB 3.47Å; A337-M340 PolarHBondContact O-N 3.24Å; A337-L341 WeakPolarHBondContact O-CG 3.41Å; A337-L341 PolarHBondContact O-N 3.01Å; A337-L341 VanDerWaalsContact O-N 3.13Å; A337-M389 HydrophobicContact CB-CE 4.32Å; A337-M389 HydrophobicContact CB-CG 3.63Å; A337-M389 HydrophobicContact CB-SD 3.99Å; A337-F390 PolarHBondContact N-O 3.16Å; A337-L401 HydrophobicContact CB-CD2 4.25Å
338D86.8Confident91.1Very high5 Ų527.2 Ų27.23%0.02715%0.149CC..Hα-helixtrans-57-47.5170.846.95.3000111.8E336 M340 L341 D342 T391 A392 T393 V398E336-D338 VanDerWaalsContact C-N 3.29Å; E336-D338 PolarHBondContact O-N 3.03Å; D338-M340 VanDerWaalsContact C-N 3.34Å; D338-M340 PolarHBondContact O-N 3.39Å; D338-L341 WeakPolarHBondContact O-CB 3.33Å; D338-L341 PolarHBondContact O-N 3.04Å; D338-L341 VanDerWaalsContact O-N 3.17Å; D338-D342 PolarHBondContact O-N 2.9Å; D338-T391 WeakPolarHBondContact CB-OG1 3.22Å; D338-T391 PolarHBondContact OD2-OG1 3.31Å; D338-T391 VanDerWaalsContact OD2-OG1 3.09Å; D338-A392 WeakPolarHBondContact OD2-CB 3.49Å; D338-A392 PolarHBondContact OD2-N 3.2Å; D338-T393 PolarHBondContact OD2-N 3.39Å; D338-T393 VanDerWaalsContact OD2-N 3.14Å; D338-T393 PolarHBondContact OD2-OG1 2.83Å; D338-V398 HydrophobicContact CB-CG2 3.87Å
339K85.4Confident91.1Very high5 Ų526.1 Ų26.12%0.02214%0.144CC..Hα-helixtrans-68.2-32.7177.5-60.8-167.4-1561620113.2P262 E336 L341 D342 M343 R511P262-K339 HydrophobicContact CB-CB 4.2Å; P262-K339 HydrophobicContact CG-CB 4.02Å; E336-K339 HydrophobicContact CB-CB 4.25Å; E336-K339 HydrophobicContact CB-CD 4.3Å; E336-K339 HydrophobicContact CB-CG 4.28Å; E336-K339 PolarHBondContact O-N 2.95Å; E336-K339 VanDerWaalsContact O-N 3.08Å; E336-K339 IonicContact OE1-NZ 3.26Å; E336-K339 PolarHBondContact OE1-NZ 2.81Å; E336-K339 WeakPolarHBondContact OE2-CD 3.45Å; E336-K339 VanDerWaalsContact OE2-CE 3.23Å; E336-K339 WeakPolarHBondContact OE2-CE 3.21Å; E336-K339 IonicContact OE2-NZ 3.11Å; E336-K339 PolarHBondContact OE2-NZ 3.36Å; K339-L341 VanDerWaalsContact C-N 3.27Å; K339-L341 PolarHBondContact O-N 3.05Å; K339-D342 PolarHBondContact O-N 3.07Å; K339-M343 WeakPolarHBondContact O-CB 3.38Å; K339-M343 VanDerWaalsContact O-CG 3.29Å; K339-M343 WeakPolarHBondContact O-CG 3.26Å; K339-M343 PolarHBondContact O-N 3.39Å; K339-R511 HydrophobicContact CD-CB 4.47Å; K339-R511 HydrophobicContact CD-CG 4.24Å
340M90.2Very high91Very high2 Ų230.2 Ų30.21%0.0116%0.164CC..Hα-helixtrans-59.9-41.8172.4-70.4-172.4-17500111.1M260 P262 P312 L334 D335 E336 A337 D338 M343 G344 F345 V349M260-M340 HydrophobicContact CB-CE 3.57Å; M260-M340 WeakPolarHBondContact O-CE 3.22Å; P262-M340 HydrophobicContact CB-CG 3.84Å; P262-M340 HydrophobicContact CG-CG 4.41Å; P312-M340 HydrophobicContact CG-CE 4.24Å; P312-M340 HydrophobicContact CG-SD 4.12Å; L334-M340 HydrophobicContact CD2-SD 4.26Å; D335-M340 WeakPolarHBondContact O-CE 3.4Å; E336-M340 PolarHBondContact O-N 3.06Å; A337-M340 WeakPolarHBondContact O-CB 3.47Å; A337-M340 PolarHBondContact O-N 3.24Å; D338-M340 VanDerWaalsContact C-N 3.34Å; D338-M340 PolarHBondContact O-N 3.39Å; M340-M343 PolarHBondContact O-N 3.45Å; M340-G344 PolarHBondContact O-N 3.48Å; M340-F345 HydrophobicContact CB-CB 4.18Å; M340-F345 WeakPolarHBondContact O-CB 3.34Å; M340-F345 PolarHBondContact O-N 2.88Å; M340-V349 HydrophobicContact SD-CG2 3.92Å
341L88.1Confident91Very high29 Ų2931.4 Ų31.415%0.15217%0.174CC..Hα-helixtrans-64.8-46.6175.8-66.1178.9000111.7A337 D338 K339 M343 G344 E346 A397 V398 L401A337-L341 WeakPolarHBondContact O-CG 3.41Å; A337-L341 PolarHBondContact O-N 3.01Å; A337-L341 VanDerWaalsContact O-N 3.13Å; D338-L341 WeakPolarHBondContact O-CB 3.33Å; D338-L341 PolarHBondContact O-N 3.04Å; D338-L341 VanDerWaalsContact O-N 3.17Å; K339-L341 VanDerWaalsContact C-N 3.27Å; K339-L341 PolarHBondContact O-N 3.05Å; L341-M343 PolarHBondContact O-N 3.39Å; L341-G344 PolarHBondContact O-N 3.15Å; L341-E346 HydrophobicContact CD2-CB 3.76Å; L341-E346 HydrophobicContact CD2-CG 4.09Å; L341-A397 HydrophobicContact CD1-CB 3.85Å; L341-V398 HydrophobicContact CD1-CB 4.35Å; L341-V398 HydrophobicContact CD1-CG2 3.73Å; L341-L401 HydrophobicContact CD1-CB 4.37Å; L341-L401 HydrophobicContact CD1-CD2 4.23Å; L341-L401 HydrophobicContact CD2-CD1 3.96Å; L341-L401 HydrophobicContact CD2-CD2 3.93Å; L341-L401 HydrophobicContact CD2-CG 4.37Å; L341-L401 HydrophobicContact CG-CD2 4.07Å
342D85.4Confident90.8Very high98 Ų9831.3 Ų31.352%0.52417%0.173SC..Hα-helixtrans-56.4-37.8177.3-70.3-8.6000112.6D338 K339 G344 R511D338-D342 PolarHBondContact O-N 2.9Å; K339-D342 PolarHBondContact O-N 3.07Å; D342-G344 PolarHBondContact O-N 3.17Å; D342-R511 IonicContact OD2-CZ 3.39Å; D342-R511 IonicContact OD2-NH1 2.71Å; D342-R511 PolarHBondContact OD2-NH1 2.99Å; D342-R511 VanDerWaalsContact OD2-NH1 3.16Å; D342-R511 IonicContact OD2-NH2 3.38Å; D342-R511 PolarHBondContact OD2-NH2 3.37Å
343M86.4Confident90.5Very high76 Ų7632.3 Ų32.337%0.37418%0.179SC..THydrogen-bonded Turntrans-81.90.2179.5-66.917973.300113P262 T263 K339 M340 L341 F345P262-M343 HydrophobicContact CB-SD 3.92Å; T263-M343 HydrophobicContact CG2-CE 4.5Å; T263-M343 HydrophobicContact CG2-SD 4.22Å; K339-M343 WeakPolarHBondContact O-CB 3.38Å; K339-M343 VanDerWaalsContact O-CG 3.29Å; K339-M343 WeakPolarHBondContact O-CG 3.26Å; K339-M343 PolarHBondContact O-N 3.39Å; M340-M343 PolarHBondContact O-N 3.45Å; L341-M343 PolarHBondContact O-N 3.39Å; M343-F345 VanDerWaalsContact C-N 3.33Å; M343-F345 HydrophobicContact CB-CD2 3.67Å; M343-F345 HydrophobicContact CB-CE2 3.7Å; M343-F345 HydrophobicContact CB-CG 4.41Å; M343-F345 HydrophobicContact CB-CZ 4.45Å; M343-F345 HydrophobicContact CE-CE2 3.58Å; M343-F345 HydrophobicContact CE-CZ 4.01Å; M343-F345 HydrophobicContact CG-CE2 4.39Å; M343-F345 HydrophobicContact SD-CD2 4.43Å; M343-F345 HydrophobicContact SD-CE2 3.87Å
344G89.7Confident90.3Very high42 Ų4236.3 Ų36.343%0.43321%0.212SC..THydrogen-bonded Turntrans71.724.5-178.900000113.7M340 L341 D342 E346 P347M340-G344 PolarHBondContact O-N 3.48Å; L341-G344 PolarHBondContact O-N 3.15Å; D342-G344 PolarHBondContact O-N 3.17Å; G344-E346 VanDerWaalsContact C-N 3.28Å; G344-E346 PolarHBondContact O-N 2.85Å; G344-P347 VanDerWaalsContact O-CD 3.29Å; G344-P347 WeakPolarHBondContact O-CD 3.08Å
345F90.6Very high90.2Very high38 Ų3841.1 Ų41.117%0.16723%0.231CC..  trans-80.4-2.8179.5-70.8-47.6000114.6P262 P312 M340 M343 P347 F348 V349P262-F345 VanDerWaalsContact O-CE2 3.27Å; P262-F345 WeakPolarHBondContact O-CE2 3.34Å; P312-F345 HydrophobicContact CB-CB 4.23Å; P312-F345 HydrophobicContact CB-CD1 4.39Å; P312-F345 HydrophobicContact CB-CG 4.32Å; P312-F345 HydrophobicContact CG-CB 4.19Å; P312-F345 HydrophobicContact CG-CD2 4.5Å; P312-F345 HydrophobicContact CG-CG 4.27Å; M340-F345 HydrophobicContact CB-CB 4.18Å; M340-F345 WeakPolarHBondContact O-CB 3.34Å; M340-F345 PolarHBondContact O-N 2.88Å; M343-F345 VanDerWaalsContact C-N 3.33Å; M343-F345 HydrophobicContact CB-CD2 3.67Å; M343-F345 HydrophobicContact CB-CE2 3.7Å; M343-F345 HydrophobicContact CB-CG 4.41Å; M343-F345 HydrophobicContact CB-CZ 4.45Å; M343-F345 HydrophobicContact CE-CE2 3.58Å; M343-F345 HydrophobicContact CE-CZ 4.01Å; M343-F345 HydrophobicContact CG-CE2 4.39Å; M343-F345 HydrophobicContact SD-CD2 4.43Å; M343-F345 HydrophobicContact SD-CE2 3.87Å; F345-P347 VanDerWaalsContact C-CD 3.5Å; F345-F348 AromaticContact CD1-CD2 3.84Å; F345-F348 HydrophobicContact CD1-CD2 3.84Å; F345-F348 HydrophobicContact CD1-CE2 4.3Å; F345-F348 HydrophobicContact CD1-CG 4.45Å; F345-F348 WeakPolarHBondContact O-CB 3.48Å; F345-F348 PolarHBondContact O-N 3.48Å; F345-V349 PolarHBondContact O-N 2.79Å
346E89.2Confident90.1Very high68 Ų6841.4 Ų41.432%0.31823%0.232SC..Hα-helixtrans-48.8-49.7178.7-174.9175-17800113.3L341 G344 F348 V349 Q350 L401L341-E346 HydrophobicContact CD2-CB 3.76Å; L341-E346 HydrophobicContact CD2-CG 4.09Å; G344-E346 VanDerWaalsContact C-N 3.28Å; G344-E346 PolarHBondContact O-N 2.85Å; E346-F348 VanDerWaalsContact C-N 3.29Å; E346-F348 PolarHBondContact O-N 3.47Å; E346-V349 PolarHBondContact O-N 3.25Å; E346-Q350 WeakPolarHBondContact O-CG 3.16Å; E346-Q350 PolarHBondContact O-N 3.25Å; E346-L401 HydrophobicContact CG-CD1 3.85Å
347P92.7Very high90.1Very high82 Ų8242.7 Ų42.753%0.53224%0.241SC..Hα-helixtrans-63.9-33.8-179.7-20.634.6000112.9G344 F345 Q350 A351G344-P347 VanDerWaalsContact O-CD 3.29Å; G344-P347 WeakPolarHBondContact O-CD 3.08Å; F345-P347 VanDerWaalsContact C-CD 3.5Å; P347-Q350 PolarHBondContact O-N 3.35Å; P347-A351 WeakPolarHBondContact O-CB 3.39Å; P347-A351 PolarHBondContact O-N 3.31Å
348F93.3Very high90.1Very high84 Ų8449 Ų4937%0.36828%0.279SS..Hα-helixtrans-70.7-39.8178.1-63.4-85.6000111.3P312 V316 F345 E346 A351 V352P312-F348 HydrophobicContact CB-CB 3.79Å; V316-F348 HydrophobicContact CB-CD1 4.25Å; V316-F348 HydrophobicContact CG2-CB 4.09Å; V316-F348 HydrophobicContact CG2-CD1 4.08Å; V316-F348 WeakPolarHBondContact CG2-O 3.45Å; F345-F348 AromaticContact CD1-CD2 3.84Å; F345-F348 HydrophobicContact CD1-CD2 3.84Å; F345-F348 HydrophobicContact CD1-CE2 4.3Å; F345-F348 HydrophobicContact CD1-CG 4.45Å; F345-F348 WeakPolarHBondContact O-CB 3.48Å; F345-F348 PolarHBondContact O-N 3.48Å; E346-F348 VanDerWaalsContact C-N 3.29Å; E346-F348 PolarHBondContact O-N 3.47Å; F348-A351 PolarHBondContact O-N 3.41Å; F348-V352 WeakPolarHBondContact O-CG2 3.27Å; F348-V352 PolarHBondContact O-N 3.34Å
349V91.8Very high90.2Very high1 Ų153.6 Ų53.61%0.00631%0.312CS..Hα-helixtrans-62.6-44.4173.6177.70000110.2M260 P312 L334 M340 F345 E346 A351 V352 L353 Y405M260-V349 HydrophobicContact CE-CG1 4.4Å; M260-V349 HydrophobicContact SD-CG1 4.45Å; M260-V349 HydrophobicContact SD-CG2 4.3Å; P312-V349 HydrophobicContact CB-CG2 4.23Å; P312-V349 HydrophobicContact CG-CG2 4.09Å; L334-V349 HydrophobicContact CD1-CG1 4.23Å; L334-V349 HydrophobicContact CD2-CG1 3.72Å; L334-V349 HydrophobicContact CD2-CG2 4.37Å; M340-V349 HydrophobicContact SD-CG2 3.92Å; F345-V349 PolarHBondContact O-N 2.79Å; E346-V349 PolarHBondContact O-N 3.25Å; V349-A351 VanDerWaalsContact C-N 3.31Å; V349-A351 PolarHBondContact O-N 3.27Å; V349-V352 PolarHBondContact O-N 3.46Å; V349-L353 HydrophobicContact CG1-CD1 4.37Å; V349-L353 WeakPolarHBondContact O-CG 3.34Å; V349-L353 PolarHBondContact O-N 3.12Å; V349-L353 VanDerWaalsContact O-N 3.1Å; V349-Y405 HydrophobicContact CG1-CD2 4.42Å; V349-Y405 HydrophobicContact CG1-CE2 3.59Å
350Q91.1Very high90.5Very high87 Ų8754.3 Ų54.341%0.40732%0.316SS..Hα-helixtrans-57.8-44.4174.7-67.7-179.4-1.800111.8E346 P347 L353 A354 Y405E346-Q350 WeakPolarHBondContact O-CG 3.16Å; E346-Q350 PolarHBondContact O-N 3.25Å; P347-Q350 PolarHBondContact O-N 3.35Å; Q350-L353 PolarHBondContact O-N 3.16Å; Q350-A354 PolarHBondContact O-N 3.34Å; Q350-A354 VanDerWaalsContact O-N 3.09Å; Q350-Y405 HydrophobicContact CG-CE1 4.1Å; Q350-Y405 WeakPolarHBondContact CG-OH 3.4Å; Q350-Y405 PolarHBondContact N-OH 3.24Å
351A93.1Very high90.5Very high31 Ų3155.9 Ų55.926%0.25633%0.326SS..Hα-helixtrans-60.3-46.417800000111.9V316 P347 F348 V349 L353 A354 Y355V316-A351 HydrophobicContact CG1-CB 4.41Å; V316-A351 HydrophobicContact CG2-CB 3.93Å; P347-A351 WeakPolarHBondContact O-CB 3.39Å; P347-A351 PolarHBondContact O-N 3.31Å; F348-A351 PolarHBondContact O-N 3.41Å; V349-A351 VanDerWaalsContact C-N 3.31Å; V349-A351 PolarHBondContact O-N 3.27Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.36Å; A351-A354 WeakPolarHBondContact O-CB 2.99Å; A351-A354 PolarHBondContact O-N 2.93Å; A351-A354 VanDerWaalsContact O-N 3.17Å; A351-Y355 WeakPolarHBondContact O-CD2 3.21Å; A351-Y355 PolarHBondContact O-N 3.48Å
352V92.2Very high90.7Very high1 Ų154.8 Ų54.81%0.00632%0.32CS..Hα-helixtrans-57.8-43.9176.2172.80000111.4M260 L315 V316 L319 L326 F348 V349 A354 Y355M260-V352 HydrophobicContact CE-CG1 4.12Å; M260-V352 HydrophobicContact SD-CB 4.3Å; M260-V352 HydrophobicContact SD-CG1 4.13Å; M260-V352 HydrophobicContact SD-CG2 4.31Å; L315-V352 HydrophobicContact CB-CG2 4.27Å; L315-V352 HydrophobicContact CD2-CB 4.39Å; L315-V352 HydrophobicContact CD2-CG1 3.66Å; L315-V352 HydrophobicContact CD2-CG2 3.72Å; L315-V352 HydrophobicContact CG-CG1 4.46Å; L315-V352 HydrophobicContact CG-CG2 3.94Å; V316-V352 HydrophobicContact CG2-CG2 3.66Å; L319-V352 HydrophobicContact CD1-CB 4.41Å; L319-V352 HydrophobicContact CD1-CG1 4.28Å; L319-V352 HydrophobicContact CD1-CG2 4.12Å; L326-V352 HydrophobicContact CD1-CG1 4.06Å; F348-V352 WeakPolarHBondContact O-CG2 3.27Å; F348-V352 PolarHBondContact O-N 3.34Å; V349-V352 PolarHBondContact O-N 3.46Å; V352-A354 VanDerWaalsContact C-N 3.27Å; V352-A354 PolarHBondContact O-N 3.01Å; V352-Y355 PolarHBondContact O-N 3.08Å
353L89.9Confident91Very high22 Ų2252 Ų5212%0.11531%0.306CS..Hα-helixtrans-67.1-28.9-179.3-61.9176.3000113.1V332 V349 Q350 A351 Y355 M356 Y405V332-L353 HydrophobicContact CG1-CD2 3.98Å; V349-L353 HydrophobicContact CG1-CD1 4.37Å; V349-L353 WeakPolarHBondContact O-CG 3.34Å; V349-L353 PolarHBondContact O-N 3.12Å; V349-L353 VanDerWaalsContact O-N 3.1Å; Q350-L353 PolarHBondContact O-N 3.16Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.36Å; L353-Y355 VanDerWaalsContact C-N 3.26Å; L353-Y355 PolarHBondContact O-N 2.88Å; L353-M356 HydrophobicContact CB-CE 4.21Å; L353-M356 HydrophobicContact CD2-CE 3.15Å; L353-M356 HydrophobicContact CG-CE 4.16Å; L353-M356 PolarHBondContact O-N 3.08Å; L353-Y405 HydrophobicContact CD1-CD1 2.96Å; L353-Y405 HydrophobicContact CD1-CD2 4.03Å; L353-Y405 HydrophobicContact CD1-CE1 3.12Å; L353-Y405 HydrophobicContact CD1-CE2 4.1Å; L353-Y405 HydrophobicContact CD1-CG 3.46Å; L353-Y405 VanDerWaalsContact CD1-CG 3.46Å; L353-Y405 HydrophobicContact CG-CD1 4.47Å; L353-Y405 HydrophobicContact CG-CE1 4.49Å
354A91.9Very high91.1Very high84 Ų8454.1 Ų54.169%0.69432%0.319SS*.Hα-helixtrans-69.5-22.3175.600000113.2Q350 A351 V352 M356Q350-A354 PolarHBondContact O-N 3.34Å; Q350-A354 VanDerWaalsContact O-N 3.09Å; A351-A354 WeakPolarHBondContact O-CB 2.99Å; A351-A354 PolarHBondContact O-N 2.93Å; A351-A354 VanDerWaalsContact O-N 3.17Å; V352-A354 VanDerWaalsContact C-N 3.27Å; V352-A354 PolarHBondContact O-N 3.01Å; A354-M356 VanDerWaalsContact C-N 3.3Å
355Y92.6Very high91.2Very high102 Ų10255.1 Ų55.140%0.432%0.317SS..THydrogen-bonded Turntrans-79.7-9.2173.5-76-77.5000113.7L319 E320 A351 V352 L353L319-Y355 HydrophobicContact CB-CD1 4.38Å; L319-Y355 HydrophobicContact CB-CD2 3.93Å; L319-Y355 HydrophobicContact CB-CE1 4.38Å; L319-Y355 HydrophobicContact CB-CE2 3.94Å; L319-Y355 HydrophobicContact CB-CG 4.17Å; L319-Y355 HydrophobicContact CD1-CD2 3.77Å; L319-Y355 HydrophobicContact CD1-CE2 4.46Å; L319-Y355 HydrophobicContact CD1-CG 4.13Å; L319-Y355 HydrophobicContact CG-CD2 4.41Å; E320-Y355 WeakPolarHBondContact CG-OH 3.3Å; A351-Y355 WeakPolarHBondContact O-CD2 3.21Å; A351-Y355 PolarHBondContact O-N 3.48Å; V352-Y355 PolarHBondContact O-N 3.08Å; L353-Y355 VanDerWaalsContact C-N 3.26Å; L353-Y355 PolarHBondContact O-N 2.88Å
356M91.1Very high91.1Very high7 Ų760.7 Ų60.73%0.03434%0.344CS..SBendtrans-87.9151.6177-79.4-174.4-79.900112.4L326 C329 V332 L353 A354 V358L326-M356 HydrophobicContact CB-CG 3.87Å; L326-M356 HydrophobicContact CD1-CG 3.98Å; C329-M356 HydrophobicContact CB-CG 4.24Å; C329-M356 HydrophobicContact CB-SD 4.05Å; C329-M356 VanDerWaalsContact SG-SD 3.65Å; V332-M356 HydrophobicContact CG2-CE 3.51Å; V332-M356 HydrophobicContact CG2-SD 3.48Å; V332-M356 WeakPolarHBondContact CG2-SD 3.27Å; L353-M356 HydrophobicContact CB-CE 4.21Å; L353-M356 HydrophobicContact CD2-CE 3.15Å; L353-M356 HydrophobicContact CG-CE 4.16Å; L353-M356 PolarHBondContact O-N 3.08Å; A354-M356 VanDerWaalsContact C-N 3.3Å; M356-V358 PolarHBondContact O-N 3.02Å
357P90.4Very high91Very high33 Ų3362.3 Ų62.321%0.21435%0.351CS..  trans-59.8123.1176.5-20.530.5000111.9L326 N327 S359 N360L326-P357 WeakPolarHBondContact O-CD 3.15Å; N327-P357 VanDerWaalsContact O-CG 3.31Å; N327-P357 WeakPolarHBondContact O-CG 3.46Å; P357-S359 PolarHBondContact O-N 3.4Å; P357-N360 PolarHBondContact O-N 3.24Å; P357-N360 PolarHBondContact O-OD1 2.9Å
358V89.9Confident90.7Very high131 Ų13158.4 Ų58.479%0.79433%0.326SS*.G310 helixtrans-65-22.5176.2-63.40000112.9M356 N360 V361M356-V358 PolarHBondContact O-N 3.02Å; V358-N360 VanDerWaalsContact C-N 3.28Å; V358-N360 PolarHBondContact O-N 3.17Å; V358-V361 WeakPolarHBondContact O-CG2 3.39Å; V358-V361 PolarHBondContact O-N 3.3Å
359S89.7Confident90.4Very high103 Ų10355.6 Ų55.672%0.7231%0.314SS*.G310 helixtrans-71.5-18.6-178.953.10000114P357P357-S359 PolarHBondContact O-N 3.4Å
360N90.5Very high90.2Very high19 Ų1958.5 Ų58.510%0.10233%0.33CS..G310 helixtrans-92.81.9-179.8787.5000113.1C329 P357 V358 Y384 R385C329-N360 PolarHBondContact O-ND2 3Å; P357-N360 PolarHBondContact O-N 3.24Å; P357-N360 PolarHBondContact O-OD1 2.9Å; V358-N360 VanDerWaalsContact C-N 3.28Å; V358-N360 PolarHBondContact O-N 3.17Å; N360-Y384 CarbonylContact O-C 3.5Å; N360-Y384 VanDerWaalsContact O-CA 3.32Å; N360-Y384 WeakPolarHBondContact O-CA 3.24Å; N360-R385 WeakPolarHBondContact O-CB 3.45Å; N360-R385 PolarHBondContact O-N 3.42Å; N360-R385 WeakPolarHBondContact OD1-CB 3.5Å
361V91.3Very high89.9Confident36 Ų3659 Ų5922%0.21833%0.332CS..SBendtrans-75.4139.4178.4-175.70000109.9V358 Y384 R407V358-V361 WeakPolarHBondContact O-CG2 3.39Å; V358-V361 PolarHBondContact O-N 3.3Å; V361-Y384 WeakPolarHBondContact O-CD1 3.47Å; V361-R407 HydrophobicContact CG1-CG 4.26Å
362K92.4Very high89.7Confident6 Ų660.9 Ų60.93%0.02635%0.348CS..PPolyproline II helixtrans-61.3145.5174.1-64.9-179.6177.982.80111.3N214 D216 A368 L374 Y384 R385 R407N214-K362 WeakPolarHBondContact O-CE 3.32Å; N214-K362 PolarHBondContact O-NZ 3.45Å; D216-K362 IonicContact OD1-NZ 3.58Å; D216-K362 PolarHBondContact OD1-NZ 3.49Å; K362-A368 HydrophobicContact CB-CB 4.28Å; K362-A368 HydrophobicContact CD-CB 4.32Å; K362-L374 HydrophobicContact CD-CD2 4.15Å; K362-Y384 HydrophobicContact CG-CD2 4.46Å; K362-Y384 HydrophobicContact CG-CG 3.99Å; K362-R385 PolarHBondContact NZ-O 2.97Å; K362-R407 HydrophobicContact CB-CB 3.99Å; K362-R407 HydrophobicContact CB-CG 4.16Å
363P90.6Very high89.5Confident38 Ų3863.6 Ų63.625%0.24736%0.364CS..PPolyproline II helixtrans-61.2144.816927.8-34.1000110.2T365 E367 A368P363-T365 HydrophobicContact CB-CG2 4.32Å; P363-T365 PolarHBondContact O-N 3.17Å; P363-E367 HydrophobicContact CG-CB 4.33Å; P363-A368 WeakPolarHBondContact O-CB 3.29Å
364D88.9Confident89.3Confident121 Ų12162.7 Ų62.765%0.64736%0.359SS*.SBendtrans-8657.3176.3-161.326.2000110.7
365T91.9Very high89.1Confident63 Ų6361.3 Ų61.339%0.38734%0.34SS..SBendtrans-132.4176.4-175.463.90000110.4P363 E367 A368 R408P363-T365 HydrophobicContact CB-CG2 4.32Å; P363-T365 PolarHBondContact O-N 3.17Å; T365-E367 PolarHBondContact O-N 3.35Å; T365-E367 VanDerWaalsContact O-N 3.16Å; T365-E367 WeakPolarHBondContact OG1-CB 3.26Å; T365-E367 PolarHBondContact OG1-N 3.44Å; T365-E367 PolarHBondContact OG1-OE2 2.8Å; T365-A368 WeakPolarHBondContact O-CB 3.33Å; T365-A368 PolarHBondContact O-N 3.35Å; T365-A368 VanDerWaalsContact O-N 3.1Å; T365-R408 WeakPolarHBondContact O-CD 3.42Å
366E88.4Confident88.7Confident155 Ų15560 Ų6072%0.72435%0.35SS*.G310 helixtrans-60.7-22.4176.3-62.9-172.1165.500113.7A368 E369 D370E366-A368 PolarHBondContact O-N 2.71Å; E366-E369 PolarHBondContact O-N 2.72Å; E366-D370 PolarHBondContact O-N 3.19Å
367E87.2Confident88.2Confident102 Ų10262.9 Ų62.948%0.47737%0.365SS..G310 helixtrans-59.1-26.4174.3-59.3175166.400112.9P363 T365 E369 D370 T373P363-E367 HydrophobicContact CG-CB 4.33Å; T365-E367 PolarHBondContact O-N 3.35Å; T365-E367 VanDerWaalsContact O-N 3.16Å; T365-E367 WeakPolarHBondContact OG1-CB 3.26Å; T365-E367 PolarHBondContact OG1-N 3.44Å; T365-E367 PolarHBondContact OG1-OE2 2.8Å; E367-E369 PolarHBondContact O-N 2.85Å; E367-D370 PolarHBondContact O-N 3.11Å; E367-T373 HydrophobicContact CB-CG2 4.17Å
368A87.6Confident87.8Confident1 Ų161.4 Ų61.41%0.00836%0.356CS..G310 helixtrans-74.2-4.7174.900000114K362 P363 T365 E366 L374 R408K362-A368 HydrophobicContact CB-CB 4.28Å; K362-A368 HydrophobicContact CD-CB 4.32Å; P363-A368 WeakPolarHBondContact O-CB 3.29Å; T365-A368 WeakPolarHBondContact O-CB 3.33Å; T365-A368 PolarHBondContact O-N 3.35Å; T365-A368 VanDerWaalsContact O-N 3.1Å; E366-A368 PolarHBondContact O-N 2.71Å; A368-L374 WeakPolarHBondContact O-CD1 3.11Å; A368-R408 HydrophobicContact CB-CB 4.39Å; A368-R408 HydrophobicContact CB-CG 4.47Å
369E85.4Confident87.4Confident25 Ų2561.2 Ų61.212%0.11734%0.344CS..G310 helixtrans-116.1-4.5171.1-63-176.2175.900112.9E366 E367 R408E366-E369 PolarHBondContact O-N 2.72Å; E367-E369 PolarHBondContact O-N 2.85Å; E369-R408 HydrophobicContact CG-CB 3.69Å; E369-R408 VanDerWaalsContact CG-NH1 3.31Å; E369-R408 WeakPolarHBondContact OE1-CB 3.43Å; E369-R408 IonicContact OE1-CZ 3.21Å; E369-R408 IonicContact OE1-NE 3.79Å; E369-R408 PolarHBondContact OE1-NE 2.71Å; E369-R408 IonicContact OE1-NH1 2.76Å; E369-R408 PolarHBondContact OE1-NH1 2.93Å; E369-R408 IonicContact OE1-NH2 2.81Å; E369-R408 PolarHBondContact OE1-NH2 3.35Å; E369-R408 IonicContact OE2-CZ 2.75Å; E369-R408 VanDerWaalsContact OE2-CZ 3.26Å; E369-R408 IonicContact OE2-NH1 3.69Å; E369-R408 PolarHBondContact OE2-NH1 3.35Å; E369-R408 IonicContact OE2-NH2 3.65Å; E369-R408 PolarHBondContact OE2-NH2 3Å
370D88Confident86.9Confident62 Ų6258.9 Ų58.933%0.33233%0.326SS..  trans-84.2120.1-179.6179.757.5000111.4E366 E367 A372 T373 L374E366-D370 PolarHBondContact O-N 3.19Å; E367-D370 PolarHBondContact O-N 3.11Å; D370-A372 PolarHBondContact O-N 3.03Å; D370-T373 PolarHBondContact O-N 2.99Å; D370-T373 VanDerWaalsContact OD2-CB 3.25Å; D370-T373 WeakPolarHBondContact OD2-CB 3.27Å; D370-T373 PolarHBondContact OD2-N 2.75Å; D370-T373 PolarHBondContact OD2-OG1 2.98Å; D370-L374 WeakPolarHBondContact O-CB 3.15Å; D370-L374 WeakPolarHBondContact O-CG 3.35Å; D370-L374 PolarHBondContact O-N 3.06Å; D370-L374 VanDerWaalsContact O-N 3.09Å
371E85.7Confident86.3Confident98 Ų9861.1 Ų61.146%0.45834%0.335SS..Hα-helixtrans-63.1-44.4-176.1175.9170.5-155.800112Q213 T373 L374 L375Q213-E371 HydrophobicContact CG-CG 4.34Å; Q213-E371 PolarHBondContact NE2-OE1 3.09Å; Q213-E371 PolarHBondContact NE2-OE2 2.94Å; E371-T373 PolarHBondContact O-N 2.86Å; E371-L374 PolarHBondContact O-N 3.04Å; E371-L375 HydrophobicContact CG-CD1 3.53Å; E371-L375 HydrophobicContact CG-CG 4.14Å; E371-L375 VanDerWaalsContact O-CB 3.25Å; E371-L375 WeakPolarHBondContact O-CB 3.39Å; E371-L375 VanDerWaalsContact O-CG 3.26Å; E371-L375 WeakPolarHBondContact O-CG 3.46Å; E371-L375 PolarHBondContact O-N 3.27Å
372A88.4Confident85.8Confident70 Ų7067.8 Ų67.858%0.57936%0.361SS*.Hα-helixtrans-63-44.5-178.200000111.5D370 A376D370-A372 PolarHBondContact O-N 3.03Å; A372-A376 WeakPolarHBondContact O-CB 3.45Å; A372-A376 PolarHBondContact O-N 2.73Å; A372-A376 VanDerWaalsContact O-N 3.11Å
373T87.6Confident85.7Confident57 Ų5767.7 Ų67.735%0.3536%0.36SS..Hα-helixtrans-64.8-43.7179.1-57.50000112E367 D370 E371E367-T373 HydrophobicContact CB-CG2 4.17Å; D370-T373 PolarHBondContact O-N 2.99Å; D370-T373 VanDerWaalsContact OD2-CB 3.25Å; D370-T373 WeakPolarHBondContact OD2-CB 3.27Å; D370-T373 PolarHBondContact OD2-N 2.75Å; D370-T373 PolarHBondContact OD2-OG1 2.98Å; E371-T373 PolarHBondContact O-N 2.86Å
374L86.7Confident85.9Confident4 Ų469.4 Ų69.42%0.02136%0.363CS..Hα-helixtrans-71.9-36.4-179.4-71.1178.7000113.1Q213 N214 R215 K362 A368 D370 E371 Y384Q213-L374 WeakPolarHBondContact O-CB 3.48Å; Q213-L374 WeakPolarHBondContact O-CD1 3.29Å; N214-L374 HydrophobicContact CB-CB 4.32Å; R215-L374 HydrophobicContact CG-CD1 3.53Å; K362-L374 HydrophobicContact CD-CD2 4.15Å; A368-L374 WeakPolarHBondContact O-CD1 3.11Å; D370-L374 WeakPolarHBondContact O-CB 3.15Å; D370-L374 WeakPolarHBondContact O-CG 3.35Å; D370-L374 PolarHBondContact O-N 3.06Å; D370-L374 VanDerWaalsContact O-N 3.09Å; E371-L374 PolarHBondContact O-N 3.04Å; L374-Y384 HydrophobicContact CD2-CD2 4.4Å
375L87Confident86.1Confident55 Ų5564.6 Ų64.629%0.28834%0.335SS..Hα-helixtrans-75.4-25.5179.6-71.1-178.5000113.3L212 E371 N377 F378L212-L375 WeakPolarHBondContact O-CD2 3.43Å; E371-L375 HydrophobicContact CG-CD1 3.53Å; E371-L375 HydrophobicContact CG-CG 4.14Å; E371-L375 VanDerWaalsContact O-CB 3.25Å; E371-L375 WeakPolarHBondContact O-CB 3.39Å; E371-L375 VanDerWaalsContact O-CG 3.26Å; E371-L375 WeakPolarHBondContact O-CG 3.46Å; E371-L375 PolarHBondContact O-N 3.27Å; L375-N377 PolarHBondContact O-N 2.79Å; L375-N377 VanDerWaalsContact O-N 3.1Å; L375-F378 HydrophobicContact CD2-CB 4.14Å; L375-F378 HydrophobicContact CD2-CD1 4.42Å; L375-F378 HydrophobicContact CD2-CG 4.27Å; L375-F378 WeakPolarHBondContact O-CB 3.41Å; L375-F378 PolarHBondContact O-N 2.91Å
376A84.9Confident86.2Confident73 Ų7361.7 Ų61.760%0.60332%0.317SS*.THydrogen-bonded Turntrans-52.3-37.1-177.600000113.8A372A372-A376 WeakPolarHBondContact O-CB 3.45Å; A372-A376 PolarHBondContact O-N 2.73Å; A372-A376 VanDerWaalsContact O-N 3.11Å
377N78.6Confident86.5Confident68 Ų6854.4 Ų54.436%0.36428%0.283SS..THydrogen-bonded Turntrans-1126.2178.4-66.8-58.3000113.3L375 F379 T380 K383L375-N377 PolarHBondContact O-N 2.79Å; L375-N377 VanDerWaalsContact O-N 3.1Å; N377-F379 PolarHBondContact O-N 2.89Å; N377-T380 PolarHBondContact O-N 2.9Å; N377-T380 VanDerWaalsContact O-N 3.13Å; N377-T380 PolarHBondContact O-OG1 2.85Å; N377-K383 WeakPolarHBondContact O-CB 3.38Å
378F82.8Confident87Confident3 Ų349.6 Ų49.61%0.01326%0.261CS..THydrogen-bonded Turntrans-61.2-46.7-169.9-176.5-108.8000112.4N214 W238 L375 T380 K383N214-F378 HydrophobicContact CB-CD2 3.51Å; N214-F378 HydrophobicContact CB-CE2 3.73Å; W238-F378 HydrophobicContact CB-CE1 4.49Å; W238-F378 HydrophobicContact CB-CZ 4.27Å; W238-F378 HydrophobicContact CG-CZ 4.46Å; W238-F378 PolarHBondContact NE1-O 3.4Å; L375-F378 HydrophobicContact CD2-CB 4.14Å; L375-F378 HydrophobicContact CD2-CD1 4.42Å; L375-F378 HydrophobicContact CD2-CG 4.27Å; L375-F378 WeakPolarHBondContact O-CB 3.41Å; L375-F378 PolarHBondContact O-N 2.91Å; F378-T380 PolarHBondContact O-N 3.05Å; F378-T380 VanDerWaalsContact O-N 3.08Å; F378-K383 HydrophobicContact CD2-CD 4.04Å; F378-K383 HydrophobicContact CE2-CD 4.19Å
379F80.9Confident87.3Confident126 Ų12649.6 Ų49.655%0.55326%0.261SS*.THydrogen-bonded Turntrans-80.422.5179.3-59.8-70.2000113.8S241 N377S241-F379 WeakPolarHBondContact OG-CD1 3.07Å; N377-F379 PolarHBondContact O-N 2.89Å
380T80.6Confident87.7Confident54 Ų5448.4 Ų48.433%0.33126%0.255SS..SBendtrans-126.316117877.70000110.6N377 F378 K382 K383N377-T380 PolarHBondContact O-N 2.9Å; N377-T380 VanDerWaalsContact O-N 3.13Å; N377-T380 PolarHBondContact O-OG1 2.85Å; F378-T380 PolarHBondContact O-N 3.05Å; F378-T380 VanDerWaalsContact O-N 3.08Å; T380-K382 PolarHBondContact O-N 3.25Å; T380-K382 VanDerWaalsContact O-N 3.12Å; T380-K382 PolarHBondContact OG1-N 3.15Å; T380-K383 PolarHBondContact O-N 3.2Å
381K77.1Confident87.8Confident66 Ų6645.5 Ų45.529%0.28724%0.24SC..THydrogen-bonded Turntrans-59.7-18.4170.5-71.6-178.2171.5175.10113.9E246 D250 K383E246-K381 VanDerWaalsContact CB-NZ 3.3Å; E246-K381 PolarHBondContact O-NZ 3.09Å; E246-K381 WeakPolarHBondContact OE2-CE 3.33Å; E246-K381 IonicContact OE2-NZ 2.74Å; D250-K381 VanDerWaalsContact OD2-CE 3.29Å; D250-K381 WeakPolarHBondContact OD2-CE 3.08Å; D250-K381 IonicContact OD2-NZ 3.92Å; D250-K381 PolarHBondContact OD2-NZ 3.28Å; K381-K383 VanDerWaalsContact C-N 3.27Å; K381-K383 PolarHBondContact O-N 2.78Å
382K82.1Confident87.7Confident177 Ų17742.1 Ų42.177%0.7723%0.228SC*.THydrogen-bonded Turntrans-86.69.2-178.7-61.1-176.2-179.2177.80113.2T380T380-K382 PolarHBondContact O-N 3.25Å; T380-K382 VanDerWaalsContact O-N 3.12Å; T380-K382 PolarHBondContact OG1-N 3.15Å
383K90.1Very high87.1Confident3 Ų340.8 Ų40.81%0.01321%0.213CC..PPolyproline II helixtrans-59.1143.5176.983.6154.6-162.1-94.20110.6W238 T330 N377 F378 T380 K381W238-K383 HydrophobicContact CD2-CD 4.38Å; W238-K383 HydrophobicContact CZ2-CD 4.05Å; W238-K383 HydrophobicContact CZ2-CG 3.97Å; W238-K383 VanDerWaalsContact CZ2-NZ 3.28Å; T330-K383 HydrophobicContact CG2-CG 4.29Å; T330-K383 WeakPolarHBondContact OG1-CE 3.32Å; T330-K383 PolarHBondContact OG1-NZ 3.48Å; N377-K383 WeakPolarHBondContact O-CB 3.38Å; F378-K383 HydrophobicContact CD2-CD 4.04Å; F378-K383 HydrophobicContact CE2-CD 4.19Å; T380-K383 PolarHBondContact O-N 3.2Å; K381-K383 VanDerWaalsContact C-N 3.27Å; K381-K383 PolarHBondContact O-N 2.78Å
384Y93Very high86.7Confident75 Ų7539.9 Ų39.929%0.29421%0.206SC..PPolyproline II helixtrans-62.5147.6167.6-65.3-68.7000110.3N214 N360 V361 K362 L374 Q386N214-Y384 PolarHBondContact ND2-O 3.11Å; N214-Y384 VanDerWaalsContact ND2-O 3.13Å; N214-Y384 PolarHBondContact OD1-O 3Å; N360-Y384 CarbonylContact O-C 3.5Å; N360-Y384 VanDerWaalsContact O-CA 3.32Å; N360-Y384 WeakPolarHBondContact O-CA 3.24Å; V361-Y384 WeakPolarHBondContact O-CD1 3.47Å; K362-Y384 HydrophobicContact CG-CD2 4.46Å; K362-Y384 HydrophobicContact CG-CG 3.99Å; L374-Y384 HydrophobicContact CD2-CD2 4.4Å; Y384-Q386 PolarHBondContact O-N 3.18Å
385R93.6Very high86.2Confident20 Ų2041.9 Ų41.98%0.07522%0.22CC..PPolyproline II helixtrans-60.9132.3173.1-17817881-167.2-1.3110.2T330 V332 N360 K362T330-R385 CarbonylContact O-C 3.49Å; T330-R385 VanDerWaalsContact O-CA 3.26Å; T330-R385 WeakPolarHBondContact O-CA 2.83Å; V332-R385 HydrophobicContact CG2-CG 4.03Å; N360-R385 WeakPolarHBondContact O-CB 3.45Å; N360-R385 PolarHBondContact O-N 3.42Å; N360-R385 WeakPolarHBondContact OD1-CB 3.5Å; K362-R385 PolarHBondContact NZ-O 2.97Å
386Q94.4Very high85.8Confident2 Ų243.5 Ų43.51%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-99.6132.4170.9-164.2167.510.800110.3G211 N214 R215 D216 T330 Y331 V332 Y384 V388G211-Q386 VanDerWaalsContact CA-NE2 3.3Å; G211-Q386 PolarHBondContact O-NE2 3.13Å; G211-Q386 PolarHBondContact O-OE1 3.46Å; N214-Q386 VanDerWaalsContact C-NE2 3.34Å; N214-Q386 WeakPolarHBondContact OD1-CB 3.39Å; R215-Q386 WeakPolarHBondContact O-CG 3.26Å; R215-Q386 PolarHBondContact O-NE2 2.7Å; D216-Q386 WeakPolarHBondContact OD1-CA 3.45Å; T330-Q386 PolarHBondContact O-N 2.68Å; Y331-Q386 WeakPolarHBondContact CA-O 3.42Å; Y331-Q386 HydrophobicContact CD2-CB 3.78Å; Y331-Q386 HydrophobicContact CD2-CG 4.37Å; Y331-Q386 HydrophobicContact CE2-CB 3.99Å; Y331-Q386 HydrophobicContact CE2-CG 4.07Å; V332-Q386 PolarHBondContact N-O 3.11Å; Y384-Q386 PolarHBondContact O-N 3.18Å; Q386-V388 HydrophobicContact CG-CG2 4.39Å
387T95.7Very high85.6Confident2 Ų241.5 Ų41.51%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-115.5124.4176.2-45.60000109.3D216 I217 V332 L406D216-T387 WeakPolarHBondContact CA-O 3.44Å; D216-T387 WeakPolarHBondContact CB-O 3.49Å; D216-T387 PolarHBondContact OD1-N 2.84Å; I217-T387 PolarHBondContact N-O 2.88Å; I217-T387 VanDerWaalsContact N-O 3.14Å; V332-T387 HydrophobicContact CB-CG2 4.24Å; V332-T387 HydrophobicContact CG1-CG2 4.34Å; V332-T387 CarbonylContact O-C 3.43Å; V332-T387 WeakPolarHBondContact O-CA 3.39Å; T387-L406 HydrophobicContact CG2-CD1 4.44Å; T387-L406 HydrophobicContact CG2-CG 4.07Å
388V96.5Very high85.8Confident1 Ų138.2 Ų38.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-118.2124.2179.1-179.20000109I217 F231 Y331 V332 I333 L334 Q386 F390I217-V388 HydrophobicContact CB-CG1 4.14Å; I217-V388 HydrophobicContact CB-CG2 4.31Å; I217-V388 HydrophobicContact CD1-CG2 4.43Å; I217-V388 CarbonylContact O-C 3.46Å; I217-V388 WeakPolarHBondContact O-CA 3.43Å; F231-V388 HydrophobicContact CB-CG1 4.37Å; Y331-V388 HydrophobicContact CE1-CG2 4.49Å; V332-V388 PolarHBondContact O-N 2.72Å; I333-V388 CarbonylContact C-O 3.45Å; I333-V388 VanDerWaalsContact CA-O 3.28Å; I333-V388 WeakPolarHBondContact CA-O 2.93Å; L334-V388 PolarHBondContact N-O 2.73Å; Q386-V388 HydrophobicContact CG-CG2 4.39Å; V388-F390 HydrophobicContact CG1-CD2 3.8Å; V388-F390 HydrophobicContact CG1-CE2 3.25Å; V388-F390 HydrophobicContact CG1-CZ 3.95Å
389M95.1Very high85.8Confident0 Ų042.2 Ų42.20%022%0.218CC..EExtended strand (participates in β ladder)trans-115.3124.8178-178-179.3-77.300109.2I217 I218 G219 L334 A337 V398 L401 A402 Y405 L406I217-M389 PolarHBondContact O-N 2.96Å; I218-M389 CarbonylContact C-O 3.53Å; I218-M389 VanDerWaalsContact CA-O 3.27Å; I218-M389 WeakPolarHBondContact CA-O 3.46Å; G219-M389 PolarHBondContact N-O 3.31Å; L334-M389 HydrophobicContact CB-CG 4.4Å; L334-M389 HydrophobicContact CD1-CE 3.66Å; A337-M389 HydrophobicContact CB-CE 4.32Å; A337-M389 HydrophobicContact CB-CG 3.63Å; A337-M389 HydrophobicContact CB-SD 3.99Å; M389-V398 HydrophobicContact SD-CG1 3.99Å; M389-L401 HydrophobicContact CE-CB 4.2Å; M389-L401 HydrophobicContact CE-CD2 3.74Å; M389-L401 HydrophobicContact CE-CG 3.87Å; M389-A402 HydrophobicContact CE-CB 4.22Å; M389-A402 HydrophobicContact SD-CB 3.95Å; M389-Y405 HydrophobicContact CE-CD2 4.37Å; M389-L406 HydrophobicContact CB-CD1 4.22Å; M389-L406 HydrophobicContact CB-CD2 4.29Å; M389-L406 HydrophobicContact CE-CD1 3.83Å; M389-L406 HydrophobicContact SD-CD1 4.42Å
390F93.9Very high86Confident1 Ų142.2 Ų42.20%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-111.8136.3170.6-75.5-77.6000111I203 G219 K227 A230 F231 I333 L334 D335 E336 A337 V388I203-F390 HydrophobicContact CD1-CE1 3.97Å; I203-F390 HydrophobicContact CG1-CE1 3.7Å; I203-F390 HydrophobicContact CG1-CZ 4.45Å; G219-F390 VanDerWaalsContact O-CA 3.29Å; G219-F390 WeakPolarHBondContact O-CA 3.5Å; G219-F390 WeakPolarHBondContact O-CD1 3.41Å; K227-F390 HydrophobicContact CB-CD1 4.11Å; K227-F390 HydrophobicContact CB-CE1 4.23Å; K227-F390 HydrophobicContact CB-CG 4.28Å; K227-F390 HydrophobicContact CD-CB 3.85Å; K227-F390 HydrophobicContact CD-CD1 3.57Å; K227-F390 HydrophobicContact CD-CE1 4.38Å; K227-F390 HydrophobicContact CD-CG 3.85Å; K227-F390 HydrophobicContact CG-CD1 3.83Å; K227-F390 HydrophobicContact CG-CE1 4.14Å; K227-F390 HydrophobicContact CG-CG 4.34Å; A230-F390 HydrophobicContact CB-CZ 4.38Å; F231-F390 HydrophobicContact CB-CE2 4.01Å; F231-F390 AromaticContact CD1-CD2 3.78Å; F231-F390 HydrophobicContact CD1-CD2 3.78Å; F231-F390 AromaticContact CD1-CE2 3.39Å; F231-F390 HydrophobicContact CD1-CE2 3.39Å; F231-F390 HydrophobicContact CD1-CZ 4.31Å; F231-F390 HydrophobicContact CE1-CD2 4.25Å; F231-F390 HydrophobicContact CE1-CE2 4.28Å; F231-F390 HydrophobicContact CG-CE2 4.15Å; I333-F390 HydrophobicContact CG2-CD2 4.48Å; L334-F390 PolarHBondContact O-N 3.34Å; D335-F390 WeakPolarHBondContact OD1-CB 3.28Å; E336-F390 WeakPolarHBondContact CA-O 3.14Å; E336-F390 PolarHBondContact N-O 2.72Å; A337-F390 PolarHBondContact N-O 3.16Å; V388-F390 HydrophobicContact CG1-CD2 3.8Å; V388-F390 HydrophobicContact CG1-CE2 3.25Å; V388-F390 HydrophobicContact CG1-CZ 3.95Å
391T89.8Confident86.2Confident0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-149.3152.9-177.3-173.40000110G219 V220 A221 D338 T393 M394 V398G219-T391 PolarHBondContact O-N 3.01Å; V220-T391 VanDerWaalsContact CA-O 3.27Å; V220-T391 WeakPolarHBondContact CA-O 3.37Å; V220-T391 HydrophobicContact CG2-CG2 4.01Å; A221-T391 PolarHBondContact N-O 3Å; A221-T391 VanDerWaalsContact N-O 3.08Å; D338-T391 WeakPolarHBondContact CB-OG1 3.22Å; D338-T391 PolarHBondContact OD2-OG1 3.31Å; D338-T391 VanDerWaalsContact OD2-OG1 3.09Å; T391-T393 WeakPolarHBondContact CG2-O 3.4Å; T391-T393 PolarHBondContact OG1-N 3.46Å; T391-T393 PolarHBondContact OG1-O 3.49Å; T391-M394 HydrophobicContact CG2-CG 4.44Å; T391-M394 HydrophobicContact CG2-SD 3.88Å; T391-V398 HydrophobicContact CG2-CG1 4.15Å
392A82.1Confident86.7Confident27 Ų2736.9 Ų36.922%0.22319%0.188CC..SBendtrans-83-28169.900000110.8D338D338-A392 WeakPolarHBondContact OD2-CB 3.49Å; D338-A392 PolarHBondContact OD2-N 3.2Å
393T76.9Confident86.8Confident42 Ų4237 Ų3726%0.25818%0.183SC..  trans-130.1148.8-174.364.40000112.6D338 T391D338-T393 PolarHBondContact OD2-N 3.39Å; D338-T393 VanDerWaalsContact OD2-N 3.14Å; D338-T393 PolarHBondContact OD2-OG1 2.83Å; T391-T393 WeakPolarHBondContact CG2-O 3.4Å; T391-T393 PolarHBondContact OG1-N 3.46Å; T391-T393 PolarHBondContact OG1-O 3.49Å
394M79.9Confident86.6Confident39 Ų3941.1 Ų41.119%0.19221%0.205CC..  trans-108.467.2173.4-75-65.1-71.700109.8I218 V220 T391 V398 E399 Y413I218-M394 HydrophobicContact CD1-CE 4.38Å; I218-M394 HydrophobicContact CG2-CE 4.24Å; I218-M394 HydrophobicContact CG2-SD 3.75Å; V220-M394 HydrophobicContact CG1-CG 4.48Å; V220-M394 HydrophobicContact CG2-CG 3.53Å; V220-M394 HydrophobicContact CG2-SD 3.97Å; T391-M394 HydrophobicContact CG2-CG 4.44Å; T391-M394 HydrophobicContact CG2-SD 3.88Å; M394-V398 HydrophobicContact SD-CG1 4.06Å; M394-E399 HydrophobicContact CE-CG 3.72Å; M394-Y413 HydrophobicContact CG-CE1 3.97Å
395S76.4Confident86.3Confident46 Ų4638.2 Ų38.232%0.32219%0.194SC..  trans-70.7158.5172.876.40000110.5A397 V398 E399S395-A397 PolarHBondContact O-N 3.36Å; S395-V398 PolarHBondContact O-N 3.12Å; S395-V398 PolarHBondContact OG-N 3.42Å; S395-E399 PolarHBondContact O-N 3.14Å
396P77.1Confident86.2Confident88 Ų8837.5 Ų37.557%0.57119%0.192SC*.Hα-helixtrans-56.2-24.3175.8-27.635.5000114R400P396-R400 WeakPolarHBondContact O-CG 3.31Å; P396-R400 PolarHBondContact O-N 3.27Å; P396-R400 VanDerWaalsContact O-N 3.16Å; P396-R400 PolarHBondContact O-NH1 3.34Å
397A80.2Confident86.1Confident31 Ų3140.4 Ų40.426%0.25620%0.203SC..Hα-helixtrans-73.5-44.7175.400000111.9L341 S395 E399 R400 L401L341-A397 HydrophobicContact CD1-CB 3.85Å; S395-A397 PolarHBondContact O-N 3.36Å; A397-E399 VanDerWaalsContact C-N 3.31Å; A397-E399 PolarHBondContact O-N 2.73Å; A397-R400 WeakPolarHBondContact O-CB 3.48Å; A397-R400 PolarHBondContact O-N 3.18Å; A397-L401 PolarHBondContact O-N 3.44Å
398V84.6Confident85.9Confident0 Ų044.1 Ų44.10%022%0.216CC..Hα-helixtrans-62.7-39.4173.7178.80000110.8D338 L341 M389 T391 M394 S395 R400 L401 A402D338-V398 HydrophobicContact CB-CG2 3.87Å; L341-V398 HydrophobicContact CD1-CB 4.35Å; L341-V398 HydrophobicContact CD1-CG2 3.73Å; M389-V398 HydrophobicContact SD-CG1 3.99Å; T391-V398 HydrophobicContact CG2-CG1 4.15Å; M394-V398 HydrophobicContact SD-CG1 4.06Å; S395-V398 PolarHBondContact O-N 3.12Å; S395-V398 PolarHBondContact OG-N 3.42Å; V398-R400 VanDerWaalsContact C-N 3.35Å; V398-R400 PolarHBondContact O-N 2.81Å; V398-L401 WeakPolarHBondContact O-CB 3.2Å; V398-L401 PolarHBondContact O-N 2.92Å; V398-A402 WeakPolarHBondContact O-CB 3.21Å; V398-A402 PolarHBondContact O-N 3.34Å
399E82.7Confident85.7Confident87 Ų8745.7 Ų45.741%0.40723%0.227SC..Hα-helixtrans-63.1-37.3174.8-72.5-176.5165.600113.2M394 S395 A397 R403M394-E399 HydrophobicContact CE-CG 3.72Å; S395-E399 PolarHBondContact O-N 3.14Å; A397-E399 VanDerWaalsContact C-N 3.31Å; A397-E399 PolarHBondContact O-N 2.73Å; E399-R403 WeakPolarHBondContact O-CG 3.1Å; E399-R403 PolarHBondContact O-N 3.37Å; E399-R403 VanDerWaalsContact O-N 3.12Å
400R83.8Confident85.6Confident126 Ų12645.7 Ų45.748%0.47523%0.227SC..Hα-helixtrans-65.7-45.5172.5-76-172.1-53.3-91.28111.1P396 A397 V398 A402 R403 N404P396-R400 WeakPolarHBondContact O-CG 3.31Å; P396-R400 PolarHBondContact O-N 3.27Å; P396-R400 VanDerWaalsContact O-N 3.16Å; P396-R400 PolarHBondContact O-NH1 3.34Å; A397-R400 WeakPolarHBondContact O-CB 3.48Å; A397-R400 PolarHBondContact O-N 3.18Å; V398-R400 VanDerWaalsContact C-N 3.35Å; V398-R400 PolarHBondContact O-N 2.81Å; R400-A402 VanDerWaalsContact C-N 3.28Å; R400-A402 PolarHBondContact O-N 3.31Å; R400-R403 PolarHBondContact O-N 3.19Å; R400-N404 PolarHBondContact O-N 2.9Å
401L84.7Confident85.5Confident2 Ų246.4 Ų46.41%0.0123%0.231CC..Hα-helixtrans-56.9-45.4176.7-164.571.3000111A337 L341 E346 M389 A397 V398 R403 N404 Y405A337-L401 HydrophobicContact CB-CD2 4.25Å; L341-L401 HydrophobicContact CD1-CB 4.37Å; L341-L401 HydrophobicContact CD1-CD2 4.23Å; L341-L401 HydrophobicContact CD2-CD1 3.96Å; L341-L401 HydrophobicContact CD2-CD2 3.93Å; L341-L401 HydrophobicContact CD2-CG 4.37Å; L341-L401 HydrophobicContact CG-CD2 4.07Å; E346-L401 HydrophobicContact CG-CD1 3.85Å; M389-L401 HydrophobicContact CE-CB 4.2Å; M389-L401 HydrophobicContact CE-CD2 3.74Å; M389-L401 HydrophobicContact CE-CG 3.87Å; A397-L401 PolarHBondContact O-N 3.44Å; V398-L401 WeakPolarHBondContact O-CB 3.2Å; V398-L401 PolarHBondContact O-N 2.92Å; L401-R403 PolarHBondContact O-N 3.28Å; L401-N404 PolarHBondContact O-N 3.49Å; L401-Y405 HydrophobicContact CD1-CD2 4.03Å; L401-Y405 HydrophobicContact CD1-CE2 3.13Å; L401-Y405 HydrophobicContact CD2-CE2 4.2Å; L401-Y405 HydrophobicContact CG-CD2 3.81Å; L401-Y405 HydrophobicContact CG-CE2 3.4Å; L401-Y405 VanDerWaalsContact O-CD2 3.25Å; L401-Y405 WeakPolarHBondContact O-CD2 3.19Å; L401-Y405 PolarHBondContact O-N 3.14Å
402A87.9Confident85.7Confident5 Ų546.4 Ų46.44%0.04123%0.231CC..Hα-helixtrans-62.7-43179.700000112.7I218 M389 V398 R400 N404 Y405 L406I218-A402 HydrophobicContact CD1-CB 3.58Å; I218-A402 HydrophobicContact CG1-CB 4.5Å; M389-A402 HydrophobicContact CE-CB 4.22Å; M389-A402 HydrophobicContact SD-CB 3.95Å; V398-A402 WeakPolarHBondContact O-CB 3.21Å; V398-A402 PolarHBondContact O-N 3.34Å; R400-A402 VanDerWaalsContact C-N 3.28Å; R400-A402 PolarHBondContact O-N 3.31Å; A402-N404 VanDerWaalsContact C-N 3.27Å; A402-N404 PolarHBondContact O-N 2.92Å; A402-Y405 PolarHBondContact O-N 2.92Å; A402-L406 HydrophobicContact CB-CD1 3.97Å; A402-L406 WeakPolarHBondContact O-CB 3.01Å; A402-L406 VanDerWaalsContact O-CD1 3.26Å; A402-L406 WeakPolarHBondContact O-CD1 3.46Å; A402-L406 PolarHBondContact O-N 3.37Å
403R85.5Confident86Confident180 Ų18046.4 Ų46.468%0.67923%0.226SC*.Hα-helixtrans-62-33.5177.2-79.4-171.9-75.5163.5-9113.3E399 R400 L401E399-R403 WeakPolarHBondContact O-CG 3.1Å; E399-R403 PolarHBondContact O-N 3.37Å; E399-R403 VanDerWaalsContact O-N 3.12Å; R400-R403 PolarHBondContact O-N 3.19Å; L401-R403 PolarHBondContact O-N 3.28Å
404N84.7Confident86.5Confident89 Ų8945.9 Ų45.948%0.47622%0.221SC..Hα-helixtrans-71.9-39.2-179.7-68-16.1000111.6R400 L401 A402 R407R400-N404 PolarHBondContact O-N 2.9Å; L401-N404 PolarHBondContact O-N 3.49Å; A402-N404 VanDerWaalsContact C-N 3.27Å; A402-N404 PolarHBondContact O-N 2.92Å; N404-R407 PolarHBondContact O-NH1 3.46Å; N404-R407 VanDerWaalsContact O-NH1 3.16Å
405Y86.4Confident86.3Confident15 Ų1545.3 Ų45.36%0.05922%0.224CC..Hα-helixtrans-102.9-33.1-167-53.6-34.9000115.5L334 V349 Q350 L353 M389 L401 A402L334-Y405 HydrophobicContact CD1-CD2 3.82Å; L334-Y405 HydrophobicContact CD1-CE2 4.2Å; V349-Y405 HydrophobicContact CG1-CD2 4.42Å; V349-Y405 HydrophobicContact CG1-CE2 3.59Å; Q350-Y405 HydrophobicContact CG-CE1 4.1Å; Q350-Y405 WeakPolarHBondContact CG-OH 3.4Å; Q350-Y405 PolarHBondContact N-OH 3.24Å; L353-Y405 HydrophobicContact CD1-CD1 2.96Å; L353-Y405 HydrophobicContact CD1-CD2 4.03Å; L353-Y405 HydrophobicContact CD1-CE1 3.12Å; L353-Y405 HydrophobicContact CD1-CE2 4.1Å; L353-Y405 HydrophobicContact CD1-CG 3.46Å; L353-Y405 VanDerWaalsContact CD1-CG 3.46Å; L353-Y405 HydrophobicContact CG-CD1 4.47Å; L353-Y405 HydrophobicContact CG-CE1 4.49Å; M389-Y405 HydrophobicContact CE-CD2 4.37Å; L401-Y405 HydrophobicContact CD1-CD2 4.03Å; L401-Y405 HydrophobicContact CD1-CE2 3.13Å; L401-Y405 HydrophobicContact CD2-CE2 4.2Å; L401-Y405 HydrophobicContact CG-CD2 3.81Å; L401-Y405 HydrophobicContact CG-CE2 3.4Å; L401-Y405 VanDerWaalsContact O-CD2 3.25Å; L401-Y405 WeakPolarHBondContact O-CD2 3.19Å; L401-Y405 PolarHBondContact O-N 3.14Å; A402-Y405 PolarHBondContact O-N 2.92Å
406L91.8Very high85.6Confident5 Ų545.9 Ų45.93%0.02623%0.232CC..  trans-95158.3-177.5-62.491000110.1D216 I217 I218 T387 M389 A402 P409D216-L406 HydrophobicContact CB-CB 4.16Å; D216-L406 HydrophobicContact CB-CD2 4.11Å; D216-L406 HydrophobicContact CB-CG 4.45Å; D216-L406 WeakPolarHBondContact OD2-CA 3.49Å; I217-L406 WeakPolarHBondContact O-CD2 3.37Å; I218-L406 HydrophobicContact CG1-CD2 3.72Å; T387-L406 HydrophobicContact CG2-CD1 4.44Å; T387-L406 HydrophobicContact CG2-CG 4.07Å; M389-L406 HydrophobicContact CB-CD1 4.22Å; M389-L406 HydrophobicContact CB-CD2 4.29Å; M389-L406 HydrophobicContact CE-CD1 3.83Å; M389-L406 HydrophobicContact SD-CD1 4.42Å; A402-L406 HydrophobicContact CB-CD1 3.97Å; A402-L406 WeakPolarHBondContact O-CB 3.01Å; A402-L406 VanDerWaalsContact O-CD1 3.26Å; A402-L406 WeakPolarHBondContact O-CD1 3.46Å; A402-L406 PolarHBondContact O-N 3.37Å; L406-P409 HydrophobicContact CB-CB 3.98Å; L406-P409 HydrophobicContact CB-CG 3.88Å; L406-P409 HydrophobicContact CD2-CB 3.68Å; L406-P409 HydrophobicContact CD2-CG 4.21Å; L406-P409 HydrophobicContact CG-CB 4.46Å
407R92.8Very high84.3Confident62 Ų6245 Ų4523%0.23423%0.225CC..SBendtrans-122.2118.6173.5-63.3-65.8178.7-90.51.2108.9D216 V361 K362 N404D216-R407 PolarHBondContact OD2-N 3.02Å; V361-R407 HydrophobicContact CG1-CG 4.26Å; K362-R407 HydrophobicContact CB-CB 3.99Å; K362-R407 HydrophobicContact CB-CG 4.16Å; N404-R407 PolarHBondContact O-NH1 3.46Å; N404-R407 VanDerWaalsContact O-NH1 3.16Å
408R91.1Very high82.8Confident81 Ų8145.4 Ų45.431%0.30623%0.232SC..SBendtrans36.858.4-176.7-55.3-163.282.7-140.20.6114.1T365 A368 E369T365-R408 WeakPolarHBondContact O-CD 3.42Å; A368-R408 HydrophobicContact CB-CB 4.39Å; A368-R408 HydrophobicContact CB-CG 4.47Å; E369-R408 HydrophobicContact CG-CB 3.69Å; E369-R408 VanDerWaalsContact CG-NH1 3.31Å; E369-R408 WeakPolarHBondContact OE1-CB 3.43Å; E369-R408 IonicContact OE1-CZ 3.21Å; E369-R408 IonicContact OE1-NE 3.79Å; E369-R408 PolarHBondContact OE1-NE 2.71Å; E369-R408 IonicContact OE1-NH1 2.76Å; E369-R408 PolarHBondContact OE1-NH1 2.93Å; E369-R408 IonicContact OE1-NH2 2.81Å; E369-R408 PolarHBondContact OE1-NH2 3.35Å; E369-R408 IonicContact OE2-CZ 2.75Å; E369-R408 VanDerWaalsContact OE2-CZ 3.26Å; E369-R408 IonicContact OE2-NH1 3.69Å; E369-R408 PolarHBondContact OE2-NH1 3.35Å; E369-R408 IonicContact OE2-NH2 3.65Å; E369-R408 PolarHBondContact OE2-NH2 3Å
409P93.2Very high81.7Confident34 Ų3449.2 Ų49.222%0.22125%0.249CC..PPolyproline II helixtrans-73.8150.9-172.130.9-35.9000113D216 I218 L406D216-P409 HydrophobicContact CB-CB 3.95Å; D216-P409 CarbonylContact O-C 3.5Å; D216-P409 VanDerWaalsContact O-CA 3.24Å; D216-P409 WeakPolarHBondContact O-CA 3.36Å; I218-P409 HydrophobicContact CD1-CB 4.33Å; I218-P409 HydrophobicContact CD1-CG 3.85Å; I218-P409 HydrophobicContact CG1-CB 4.05Å; I218-P409 HydrophobicContact CG1-CG 4.13Å; L406-P409 HydrophobicContact CB-CB 3.98Å; L406-P409 HydrophobicContact CB-CG 3.88Å; L406-P409 HydrophobicContact CD2-CB 3.68Å; L406-P409 HydrophobicContact CD2-CG 4.21Å; L406-P409 HydrophobicContact CG-CB 4.46Å
410V93.1Very high80.5Confident0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-82127.7165.1-1760000109.1K168 V172 I210 D216 I217 I218 V412K168-V410 CarbonylContact O-C 3.59Å; K168-V410 WeakPolarHBondContact O-CA 3.39Å; K168-V410 WeakPolarHBondContact O-CG1 3.23Å; V172-V410 HydrophobicContact CG1-CG1 4.06Å; V172-V410 HydrophobicContact CG2-CG1 3.72Å; V172-V410 HydrophobicContact CG2-CG2 4.1Å; I210-V410 HydrophobicContact CD1-CB 4.01Å; I210-V410 HydrophobicContact CD1-CG1 3.59Å; I210-V410 HydrophobicContact CD1-CG2 4.46Å; I210-V410 HydrophobicContact CG1-CG1 4.48Å; I210-V410 HydrophobicContact CG2-CB 4.09Å; I210-V410 HydrophobicContact CG2-CG2 3.86Å; D216-V410 PolarHBondContact O-N 3Å; I217-V410 CarbonylContact C-O 3.55Å; I217-V410 WeakPolarHBondContact CA-O 3.44Å; I218-V410 PolarHBondContact N-O 2.88Å; V410-V412 HydrophobicContact CG1-CG2 4.15Å
411V91.8Very high79.6Confident16 Ų1640.1 Ų40.110%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-95.4123.7172.8-164.10000109.2I167 K168 I218 V220 Y413I167-V411 CarbonylContact C-O 3.55Å; I167-V411 VanDerWaalsContact CA-O 3.26Å; I167-V411 WeakPolarHBondContact CA-O 3.29Å; K168-V411 HydrophobicContact CB-CB 4.1Å; K168-V411 HydrophobicContact CB-CG2 4.3Å; K168-V411 PolarHBondContact N-O 3.23Å; K168-V411 PolarHBondContact O-N 3.47Å; I218-V411 HydrophobicContact CB-CB 4.42Å; I218-V411 HydrophobicContact CB-CG1 4.05Å; I218-V411 HydrophobicContact CB-CG2 4.23Å; I218-V411 HydrophobicContact CD1-CG2 4.19Å; I218-V411 HydrophobicContact CG2-CG1 4.11Å; I218-V411 CarbonylContact O-C 3.6Å; I218-V411 VanDerWaalsContact O-CA 3.31Å; I218-V411 WeakPolarHBondContact O-CA 3.43Å; V220-V411 HydrophobicContact CG2-CG1 4.14Å; V411-Y413 HydrophobicContact CB-CE2 3.89Å; V411-Y413 HydrophobicContact CG1-CD2 3.9Å; V411-Y413 HydrophobicContact CG1-CE1 4.11Å; V411-Y413 HydrophobicContact CG1-CE2 3.29Å; V411-Y413 VanDerWaalsContact CG1-CZ 3.41Å
412V92.6Very high78.8Confident0 Ų044.2 Ų44.20%023%0.233CC..EExtended strand (participates in β ladder)trans-114.8112.9177-176.50000108.3I165 I167 I203 Q206 I210 I218 G219 V220 V410 I414I165-V412 HydrophobicContact CG2-CG1 4.02Å; I167-V412 HydrophobicContact CG2-CG2 4.47Å; I203-V412 HydrophobicContact CD1-CB 4.22Å; I203-V412 HydrophobicContact CD1-CG1 3.84Å; Q206-V412 HydrophobicContact CB-CG1 3.95Å; Q206-V412 HydrophobicContact CG-CG1 3.86Å; Q206-V412 HydrophobicContact CG-CG2 3.89Å; I210-V412 HydrophobicContact CD1-CG2 3.55Å; I218-V412 PolarHBondContact O-N 3.28Å; G219-V412 CarbonylContact C-O 3.59Å; V220-V412 PolarHBondContact N-O 2.92Å; V410-V412 HydrophobicContact CG1-CG2 4.15Å; V412-I414 HydrophobicContact CG1-CD1 3.92Å; V412-I414 HydrophobicContact CG1-CG1 4.5Å
413Y88.7Confident78Confident27 Ų2750.4 Ų50.411%0.10626%0.255CS..EExtended strand (participates in β ladder)trans-100.5131.6175.4-60.1-91.2000109.9I165 S166 K168 V220 M394 V411 V417I165-Y413 WeakPolarHBondContact CA-O 3.48Å; S166-Y413 PolarHBondContact N-O 2.91Å; S166-Y413 PolarHBondContact O-N 3.1Å; K168-Y413 HydrophobicContact CD-CE2 3.9Å; K168-Y413 HydrophobicContact CG-CE2 4.1Å; K168-Y413 PolarHBondContact NZ-OH 3.19Å; V220-Y413 HydrophobicContact CB-CD1 3.52Å; V220-Y413 HydrophobicContact CB-CE1 4.03Å; V220-Y413 HydrophobicContact CB-CG 4.27Å; V220-Y413 HydrophobicContact CG1-CD1 3.87Å; V220-Y413 HydrophobicContact CG1-CE1 4.28Å; V220-Y413 HydrophobicContact CG2-CD1 3.63Å; V220-Y413 HydrophobicContact CG2-CE1 3.61Å; V220-Y413 HydrophobicContact CG2-CG 4.44Å; M394-Y413 HydrophobicContact CG-CE1 3.97Å; V411-Y413 HydrophobicContact CB-CE2 3.89Å; V411-Y413 HydrophobicContact CG1-CD2 3.9Å; V411-Y413 HydrophobicContact CG1-CE1 4.11Å; V411-Y413 HydrophobicContact CG1-CE2 3.29Å; V411-Y413 VanDerWaalsContact CG1-CZ 3.41Å; Y413-V417 HydrophobicContact CD1-CG2 3.47Å; Y413-V417 VanDerWaalsContact CD1-CG2 3.47Å; Y413-V417 HydrophobicContact CE1-CG2 4.22Å; Y413-V417 HydrophobicContact CG-CG2 4.16Å
414I87.5Confident77.8Confident31 Ų3142 Ų4216%0.15922%0.223CC..EExtended strand (participates in β ladder)trans-115.1124.4177-54.6-60.6000109.7I165 P202 I203 V220 A221 V412I165-I414 HydrophobicContact CB-CD1 4.26Å; I165-I414 HydrophobicContact CD1-CD1 4.45Å; I165-I414 HydrophobicContact CG1-CD1 3.77Å; I165-I414 HydrophobicContact CG2-CD1 4.08Å; P202-I414 HydrophobicContact CB-CD1 3.94Å; P202-I414 HydrophobicContact CB-CG2 3.75Å; P202-I414 HydrophobicContact CG-CG2 4.43Å; I203-I414 HydrophobicContact CB-CD1 4.34Å; I203-I414 HydrophobicContact CB-CG1 3.9Å; I203-I414 HydrophobicContact CD1-CD1 4.14Å; I203-I414 HydrophobicContact CD1-CG1 3.64Å; I203-I414 HydrophobicContact CG1-CG1 4.31Å; V220-I414 PolarHBondContact O-N 3.17Å; A221-I414 HydrophobicContact CB-CB 4.02Å; A221-I414 HydrophobicContact CB-CG1 4.08Å; V412-I414 HydrophobicContact CG1-CD1 3.92Å; V412-I414 HydrophobicContact CG1-CG1 4.5Å
415G75.6Confident77.9Confident26 Ų2641.3 Ų41.327%0.26822%0.218SC..SBendtrans75.7-176-178.300000113.4N164 V417N164-G415 PolarHBondContact O-N 2.99Å; G415-V417 PolarHBondContact O-N 2.76Å; G415-V417 VanDerWaalsContact O-N 3.17Å
416A61Low78.1Confident59 Ų5940.8 Ų40.849%0.48822%0.215SC..SBendtrans-70.8107.9167.300000108.1G418 K419A416-G418 PolarHBondContact O-N 3.32Å; A416-G418 VanDerWaalsContact O-N 3.15Å; A416-K419 PolarHBondContact O-N 3.28Å
417V50.7Low78.2Confident70 Ų7041.9 Ų41.942%0.42422%0.223SC..THydrogen-bonded Turntrans-47.6120.6-178.9-178.70000110.5V220 Y413 G415 K419V220-V417 HydrophobicContact CG1-CG1 4.22Å; Y413-V417 HydrophobicContact CD1-CG2 3.47Å; Y413-V417 VanDerWaalsContact CD1-CG2 3.47Å; Y413-V417 HydrophobicContact CE1-CG2 4.22Å; Y413-V417 HydrophobicContact CG-CG2 4.16Å; G415-V417 PolarHBondContact O-N 2.76Å; G415-V417 VanDerWaalsContact O-N 3.17Å; V417-K419 PolarHBondContact O-N 3.28Å
418G49.6Very low78.3Confident39 Ų3939.4 Ų39.440%0.40221%0.214SC..THydrogen-bonded Turntrans72.819.5165.300000116.7A416 P420A416-G418 PolarHBondContact O-N 3.32Å; A416-G418 VanDerWaalsContact O-N 3.15Å; G418-P420 WeakPolarHBondContact O-CD 3.28Å
419K61.2Low78.4Confident79 Ų7939.2 Ų39.234%0.34321%0.214SC..  trans-122.468.1176.9-58.9-164-172.1-160.50114.3A416 V417 T421 E422 E570A416-K419 PolarHBondContact O-N 3.28Å; V417-K419 PolarHBondContact O-N 3.28Å; K419-T421 PolarHBondContact O-N 2.99Å; K419-E422 HydrophobicContact CB-CG 4.32Å; K419-E422 PolarHBondContact O-N 3.33Å; K419-E570 WeakPolarHBondContact CE-OE2 3.37Å; K419-E570 IonicContact NZ-OE2 3.59Å; K419-E570 PolarHBondContact NZ-OE2 2.89Å
420P57.6Low78.4Confident19 Ų1939.7 Ų39.712%0.12321%0.214CC..G310 helixtrans-50.8-22.6160.4-21.530.3000112.5G418 E422 R423 V424G418-P420 WeakPolarHBondContact O-CD 3.28Å; P420-E422 PolarHBondContact O-N 3.04Å; P420-R423 PolarHBondContact O-N 2.88Å; P420-R423 VanDerWaalsContact O-N 3.15Å; P420-V424 WeakPolarHBondContact O-CG2 3.4Å; P420-V424 PolarHBondContact O-N 2.92Å
421T64.1Low78.5Confident4 Ų441.2 Ų41.23%0.02522%0.221CC..G310 helixtrans-61.9-21.9-174.964.70000113.7K419 R423 I537 L567 S571K419-T421 PolarHBondContact O-N 2.99Å; T421-R423 VanDerWaalsContact C-N 3.32Å; T421-I537 HydrophobicContact CG2-CD1 4.23Å; T421-L567 HydrophobicContact CG2-CD1 3.96Å; T421-L567 HydrophobicContact CG2-CD2 3.26Å; T421-L567 HydrophobicContact CG2-CG 3.56Å; T421-S571 VanDerWaalsContact O-CB 3.25Å; T421-S571 WeakPolarHBondContact O-CB 3.33Å; T421-S571 PolarHBondContact O-OG 3.09Å
422E67.9Low78.6Confident88 Ų8842.8 Ų42.841%0.41123%0.233SC..G310 helixtrans-73.5-25177.3-68.6-178.7-17300113K419 P420 V573K419-E422 HydrophobicContact CB-CG 4.32Å; K419-E422 PolarHBondContact O-N 3.33Å; P420-E422 PolarHBondContact O-N 3.04Å; E422-V573 WeakPolarHBondContact O-CG2 3.26Å
423R71.2Confident78.6Confident135 Ų13546.8 Ų46.851%0.50925%0.252SS..THydrogen-bonded Turntrans-112.2-13.4-173.5-59.8-178-172.8169.61.8114.1P420 T421 S546 G547P420-R423 PolarHBondContact O-N 2.88Å; P420-R423 VanDerWaalsContact O-N 3.15Å; T421-R423 VanDerWaalsContact C-N 3.32Å; R423-S546 WeakPolarHBondContact O-CA 3.32Å; R423-G547 PolarHBondContact O-N 3.37Å
424V80.8Confident78.9Confident2 Ų250.4 Ų50.41%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-103.3118.2-179-177.60000109.2P420 Q426 I537 T540 G547 A549 V573 S574P420-V424 WeakPolarHBondContact O-CG2 3.4Å; P420-V424 PolarHBondContact O-N 2.92Å; V424-Q426 HydrophobicContact CG1-CG 4.32Å; V424-Q426 PolarHBondContact O-N 3.18Å; V424-I537 HydrophobicContact CG1-CB 4.29Å; V424-T540 HydrophobicContact CG1-CG2 3.72Å; V424-T540 HydrophobicContact CG2-CG2 4.01Å; V424-G547 CarbonylContact C-O 3.52Å; V424-G547 WeakPolarHBondContact CA-O 3.47Å; V424-A549 HydrophobicContact CG1-CB 3.71Å; V424-V573 WeakPolarHBondContact O-CG2 3.47Å; V424-S574 PolarHBondContact O-OG 2.86Å
425E88Confident79.2Confident76 Ų7653.7 Ų53.736%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-67.9118.1169.5-174.5-160.9165.800108.5V427 G547 K548 A549E425-V427 HydrophobicContact CG-CG2 4.45Å; E425-G547 PolarHBondContact N-O 2.9Å; E425-K548 CarbonylContact O-C 3.6Å; E425-K548 WeakPolarHBondContact O-CA 3.33Å; E425-K548 IonicContact OE1-NZ 3.1Å; E425-K548 PolarHBondContact OE1-NZ 3.45Å; E425-K548 IonicContact OE2-NZ 3.92Å; E425-K548 PolarHBondContact OE2-NZ 3.43Å; E425-A549 PolarHBondContact O-N 3.36Å
426Q90.8Very high80.1Confident3 Ų352.5 Ų52.51%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-109.5122.1-177.1-62.9164.273.800110.4V424 Y533 I537 A549 L568 S574V424-Q426 HydrophobicContact CG1-CG 4.32Å; V424-Q426 PolarHBondContact O-N 3.18Å; Q426-Y533 PolarHBondContact OE1-OH 3.35Å; Q426-I537 HydrophobicContact CG-CD1 4.28Å; Q426-A549 CarbonylContact C-O 3.49Å; Q426-A549 WeakPolarHBondContact CA-O 3.39Å; Q426-A549 HydrophobicContact CG-CB 4.33Å; Q426-L568 HydrophobicContact CB-CD2 3.4Å; Q426-L568 HydrophobicContact CG-CD2 4.34Å; Q426-S574 WeakPolarHBondContact CB-OG 3.45Å; Q426-S574 PolarHBondContact N-OG 3.28Å
427V92.8Very high81.7Confident29 Ų2956.2 Ų56.218%0.17629%0.285CS..EExtended strand (participates in β ladder)trans-116.9124.2179.6-178.10000108.8E425 Y429 A549 I550 T551E425-V427 HydrophobicContact CG-CG2 4.45Å; V427-Y429 HydrophobicContact CG1-CD2 4.44Å; V427-Y429 HydrophobicContact CG1-CE1 4.39Å; V427-Y429 HydrophobicContact CG1-CE2 3.76Å; V427-A549 PolarHBondContact N-O 3.36Å; V427-I550 HydrophobicContact CB-CG1 4.24Å; V427-I550 CarbonylContact O-C 3.58Å; V427-I550 VanDerWaalsContact O-CA 3.31Å; V427-I550 WeakPolarHBondContact O-CA 3.48Å; V427-T551 PolarHBondContact O-N 3Å
428V94.3Very high83.7Confident10 Ų1060 Ų606%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-115132.2-178174.90000110.2T551 L553 L564 L568 P577 L580V428-T551 WeakPolarHBondContact CA-O 3.35Å; V428-L553 HydrophobicContact CG1-CB 4.38Å; V428-L553 HydrophobicContact CG1-CD1 3.33Å; V428-L553 HydrophobicContact CG1-CG 3.68Å; V428-L564 HydrophobicContact CG2-CD2 4.4Å; V428-L568 HydrophobicContact CB-CD1 4.5Å; V428-L568 HydrophobicContact CG2-CD1 3.74Å; V428-L568 HydrophobicContact CG2-CD2 4.36Å; V428-P577 HydrophobicContact CB-CG 3.98Å; V428-P577 HydrophobicContact CG1-CG 4.3Å; V428-L580 HydrophobicContact CG1-CD2 4.44Å
429Y94.8Very high85.9Confident76 Ų7661.8 Ų61.830%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-117.2118.6172.5-64.4-69.3000109.8V427 M431 R439 I443 I550 T551 F552 L553V427-Y429 HydrophobicContact CG1-CD2 4.44Å; V427-Y429 HydrophobicContact CG1-CE1 4.39Å; V427-Y429 HydrophobicContact CG1-CE2 3.76Å; Y429-M431 HydrophobicContact CG-CE 4.23Å; Y429-R439 VanDerWaalsContact CE1-NH2 3.3Å; Y429-R439 PolarHBondContact OH-NH2 2.94Å; Y429-R439 VanDerWaalsContact OH-NH2 3.09Å; Y429-I443 HydrophobicContact CE2-CD1 4.23Å; Y429-I550 HydrophobicContact CD2-CG2 3.81Å; Y429-I550 HydrophobicContact CE2-CG2 3.8Å; Y429-T551 PolarHBondContact N-O 3.49Å; Y429-F552 HydrophobicContact CD2-CD1 4.24Å; Y429-F552 HydrophobicContact CD2-CE1 4.04Å; Y429-L553 PolarHBondContact O-N 2.95Å
430M92.8Very high87.5Confident45 Ų4558 Ų5822%0.22227%0.274CS..EExtended strand (participates in β ladder)trans-82.1126.9170.6-65.2-83.6-92.200108.6L553 F561 E579 H583M430-L553 WeakPolarHBondContact CA-O 3.36Å; M430-L553 HydrophobicContact CG-CB 4.47Å; M430-L553 HydrophobicContact SD-CB 3.53Å; M430-L553 VanDerWaalsContact SD-CB 3.53Å; M430-L553 HydrophobicContact SD-CD1 3.74Å; M430-L553 HydrophobicContact SD-CG 4.32Å; M430-F561 HydrophobicContact CE-CD2 4.41Å; M430-F561 HydrophobicContact CE-CE2 3.57Å; M430-F561 HydrophobicContact CE-CZ 3.82Å; M430-F561 HydrophobicContact SD-CE1 4.41Å; M430-F561 HydrophobicContact SD-CE2 4.13Å; M430-F561 HydrophobicContact SD-CZ 3.78Å; M430-E579 WeakPolarHBondContact CB-OE2 3.35Å; M430-E579 HydrophobicContact CG-CB 4.19Å; M430-H583 HydrophobicContact CE-CB 4.37Å; M430-H583 WeakPolarHBondContact CE-CD2 3.21Å
431M94.2Very high89.2Confident31 Ų3158.2 Ų58.215%0.15327%0.274CS..  trans-156.2171.9-177.866.1-172.570.700111.9Y429 E435 K436 R439 F552 L553Y429-M431 HydrophobicContact CG-CE 4.23Å; M431-E435 HydrophobicContact CB-CB 4.16Å; M431-E435 HydrophobicContact CG-CB 4.5Å; M431-E435 HydrophobicContact SD-CB 4.35Å; M431-K436 HydrophobicContact CG-CG 4.19Å; M431-K436 VanDerWaalsContact SD-CA 3.58Å; M431-K436 HydrophobicContact SD-CB 4.25Å; M431-K436 HydrophobicContact SD-CG 3.78Å; M431-R439 HydrophobicContact CE-CB 4.14Å; M431-R439 HydrophobicContact CE-CG 3.83Å; M431-R439 HydrophobicContact SD-CB 4.18Å; M431-F552 HydrophobicContact CE-CB 4.13Å; M431-F552 HydrophobicContact CE-CD1 3.4Å; M431-F552 HydrophobicContact CE-CD2 4.49Å; M431-F552 HydrophobicContact CE-CE1 3.87Å; M431-F552 HydrophobicContact CE-CG 3.76Å; M431-F552 HydrophobicContact SD-CB 4.09Å; M431-F552 HydrophobicContact SD-CD1 4.12Å; M431-F552 HydrophobicContact SD-CD2 4.18Å; M431-F552 HydrophobicContact SD-CG 3.87Å; M431-L553 PolarHBondContact N-O 3.19Å
432S94.5Very high90.6Very high50 Ų5062 Ų6235%0.3529%0.292SS..  trans-81.3155.6166.869.80000111.5S434 E435S432-S434 PolarHBondContact O-N 3.12Å; S432-S434 VanDerWaalsContact O-N 3.09Å; S432-S434 PolarHBondContact OG-OG 3.44Å; S432-E435 WeakPolarHBondContact CB-OE2 3.2Å; S432-E435 PolarHBondContact N-OE2 3.33Å; S432-E435 PolarHBondContact O-N 3.1Å; S432-E435 VanDerWaalsContact OG-CD 3.24Å; S432-E435 WeakPolarHBondContact OG-CG 3.49Å; S432-E435 PolarHBondContact OG-OE2 2.5Å
433E93Very high91.8Very high84 Ų8458.9 Ų58.939%0.39328%0.278SS..THydrogen-bonded Turntrans-52.1-34.3175.7-77.2-66.1163.700113.5E435 K436 T554E433-E435 VanDerWaalsContact C-N 3.27Å; E433-E435 PolarHBondContact O-N 2.99Å; E433-K436 IonicContact OE1-NZ 3.57Å; E433-K436 PolarHBondContact OE1-NZ 3.44Å; E433-K436 WeakPolarHBondContact OE2-CD 3.28Å; E433-K436 WeakPolarHBondContact OE2-CE 3.34Å; E433-K436 IonicContact OE2-NZ 2.76Å; E433-K436 PolarHBondContact OE2-NZ 2.95Å; E433-T554 HydrophobicContact CG-CG2 4.15Å; E433-T554 WeakPolarHBondContact OE1-CG2 3.47Å; E433-T554 PolarHBondContact OE1-OG1 3.06Å
434S93.5Very high92.8Very high103 Ų10353.1 Ų53.172%0.7226%0.257SS*.THydrogen-bonded Turntrans-69.1-23-179.568.60000114.1S432S432-S434 PolarHBondContact O-N 3.12Å; S432-S434 VanDerWaalsContact O-N 3.09Å; S432-S434 PolarHBondContact OG-OG 3.44Å
435E94.1Very high93.2Very high100 Ų10059.8 Ų59.847%0.46729%0.288SS..THydrogen-bonded Turntrans-89.1-23-175.1-70165135.900112.7M431 S432 E433 R437 K438 R439M431-E435 HydrophobicContact CB-CB 4.16Å; M431-E435 HydrophobicContact CG-CB 4.5Å; M431-E435 HydrophobicContact SD-CB 4.35Å; S432-E435 WeakPolarHBondContact CB-OE2 3.2Å; S432-E435 PolarHBondContact N-OE2 3.33Å; S432-E435 PolarHBondContact O-N 3.1Å; S432-E435 VanDerWaalsContact OG-CD 3.24Å; S432-E435 WeakPolarHBondContact OG-CG 3.49Å; S432-E435 PolarHBondContact OG-OE2 2.5Å; E433-E435 VanDerWaalsContact C-N 3.27Å; E433-E435 PolarHBondContact O-N 2.99Å; E435-R437 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 3.37Å; E435-K438 PolarHBondContact O-N 2.79Å; E435-K438 VanDerWaalsContact O-N 3.1Å; E435-R439 PolarHBondContact O-N 2.83Å
436K95.5Very high93.1Very high1 Ų159.2 Ų59.20%0.00430%0.303CS..Hα-helixtrans-49.6-46.9-176.8-73.2-176.8171.9168.40113M431 E433 R439 L440 Y524 D525 F552M431-K436 HydrophobicContact CG-CG 4.19Å; M431-K436 VanDerWaalsContact SD-CA 3.58Å; M431-K436 HydrophobicContact SD-CB 4.25Å; M431-K436 HydrophobicContact SD-CG 3.78Å; E433-K436 IonicContact OE1-NZ 3.57Å; E433-K436 PolarHBondContact OE1-NZ 3.44Å; E433-K436 WeakPolarHBondContact OE2-CD 3.28Å; E433-K436 WeakPolarHBondContact OE2-CE 3.34Å; E433-K436 IonicContact OE2-NZ 2.76Å; E433-K436 PolarHBondContact OE2-NZ 2.95Å; K436-R439 PolarHBondContact O-N 3.12Å; K436-L440 WeakPolarHBondContact O-CB 3.44Å; K436-L440 PolarHBondContact O-N 3.07Å; K436-Y524 HydrophobicContact CB-CD2 4.46Å; K436-Y524 HydrophobicContact CB-CE1 4.08Å; K436-Y524 HydrophobicContact CB-CE2 3.72Å; K436-Y524 VanDerWaalsContact CB-CZ 3.49Å; K436-Y524 WeakPolarHBondContact CB-OH 3.48Å; K436-Y524 HydrophobicContact CD-CD1 4.19Å; K436-Y524 HydrophobicContact CD-CE1 3.82Å; K436-Y524 WeakPolarHBondContact CD-O 3.41Å; K436-Y524 WeakPolarHBondContact CE-O 3.37Å; K436-Y524 PolarHBondContact NZ-O 2.92Å; K436-D525 IonicContact NZ-OD1 2.71Å; K436-D525 PolarHBondContact NZ-OD1 3.19Å; K436-F552 HydrophobicContact CB-CD2 3.93Å; K436-F552 HydrophobicContact CB-CE2 4.35Å; K436-F552 HydrophobicContact CD-CD2 4.42Å; K436-F552 HydrophobicContact CG-CB 4.16Å; K436-F552 HydrophobicContact CG-CD2 3.84Å; K436-F552 HydrophobicContact CG-CG 4.37Å; K436-F552 WeakPolarHBondContact O-CE2 3.37Å
437R93.5Very high92.6Very high137 Ų13762.2 Ų62.252%0.51734%0.335SS..Hα-helixtrans-64.1-45.8-178.5-173.7178.3179.1-169.9-1.5112.1E435 R439 L440 V441 Y524E435-R437 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 3.37Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-R439 PolarHBondContact O-N 3.49Å; R437-L440 PolarHBondContact O-N 3.41Å; R437-V441 WeakPolarHBondContact O-CG2 3.46Å; R437-V441 PolarHBondContact O-N 3.46Å; R437-Y524 PolarHBondContact N-OH 3.46Å
438K94.2Very high91.9Very high150 Ų15063.3 Ų63.365%0.65234%0.339SS*.Hα-helixtrans-64.4-40.9178.8-174.6178.7177.7-178.10110.4E435 V441 Q442E435-K438 PolarHBondContact O-N 2.79Å; E435-K438 VanDerWaalsContact O-N 3.1Å; K438-V441 PolarHBondContact O-N 2.82Å; K438-Q442 WeakPolarHBondContact O-CG 3.48Å; K438-Q442 PolarHBondContact O-N 3.22Å; K438-Q442 VanDerWaalsContact O-N 3.12Å
439R94.8Very high91.4Very high75 Ų7569.9 Ų69.928%0.28337%0.369SS..Hα-helixtrans-67.7-40.4178.9-170.957.9176.8167.73.9112.6Y429 M431 E435 K436 R437 V441 Q442 I443 F552Y429-R439 VanDerWaalsContact CE1-NH2 3.3Å; Y429-R439 PolarHBondContact OH-NH2 2.94Å; Y429-R439 VanDerWaalsContact OH-NH2 3.09Å; M431-R439 HydrophobicContact CE-CB 4.14Å; M431-R439 HydrophobicContact CE-CG 3.83Å; M431-R439 HydrophobicContact SD-CB 4.18Å; E435-R439 PolarHBondContact O-N 2.83Å; K436-R439 PolarHBondContact O-N 3.12Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-R439 PolarHBondContact O-N 3.49Å; R439-V441 PolarHBondContact O-N 3.35Å; R439-Q442 PolarHBondContact O-N 3.04Å; R439-I443 HydrophobicContact CG-CD1 4.03Å; R439-I443 WeakPolarHBondContact O-CD1 3.4Å; R439-I443 WeakPolarHBondContact O-CG1 3.44Å; R439-I443 PolarHBondContact O-N 2.77Å; R439-F552 HydrophobicContact CB-CE1 4.37Å; R439-F552 HydrophobicContact CB-CZ 4.01Å; R439-F552 HydrophobicContact CG-CE1 3.76Å; R439-F552 HydrophobicContact CG-CZ 3.83Å
440L94.9Very high91Very high1 Ų169.5 Ų69.51%0.00538%0.375CS..Hα-helixtrans-55.8-50.6173.7174.562.3000111.1K436 R437 Q442 I443 L444 I454 L465 L469 L522 Y524 F552K436-L440 WeakPolarHBondContact O-CB 3.44Å; K436-L440 PolarHBondContact O-N 3.07Å; R437-L440 PolarHBondContact O-N 3.41Å; L440-Q442 VanDerWaalsContact C-N 3.35Å; L440-Q442 PolarHBondContact O-N 3.03Å; L440-I443 PolarHBondContact O-N 2.6Å; L440-I443 VanDerWaalsContact O-N 3.12Å; L440-L444 HydrophobicContact CD1-CD1 4.01Å; L440-L444 HydrophobicContact CD1-CG 4.1Å; L440-L444 HydrophobicContact CG-CD1 3.99Å; L440-L444 HydrophobicContact CG-CG 4.44Å; L440-L444 WeakPolarHBondContact O-CG 3.39Å; L440-L444 PolarHBondContact O-N 3.37Å; L440-I454 HydrophobicContact CD1-CD1 3.88Å; L440-I454 HydrophobicContact CD2-CD1 4.28Å; L440-L465 HydrophobicContact CD2-CD1 3.67Å; L440-L465 HydrophobicContact CD2-CD2 4.28Å; L440-L465 HydrophobicContact CD2-CG 4.3Å; L440-L469 HydrophobicContact CD2-CD1 4.41Å; L440-L469 HydrophobicContact CD2-CD2 4.03Å; L440-L469 HydrophobicContact CG-CD2 4.49Å; L440-L522 HydrophobicContact CD1-CD1 3.53Å; L440-L522 HydrophobicContact CD1-CD2 3.83Å; L440-L522 HydrophobicContact CD1-CG 4.33Å; L440-Y524 HydrophobicContact CB-CD2 4.32Å; L440-Y524 HydrophobicContact CB-CE2 4.2Å; L440-Y524 HydrophobicContact CD2-CD2 3.87Å; L440-Y524 HydrophobicContact CD2-CE2 3.95Å; L440-F552 HydrophobicContact CB-CE2 4.13Å; L440-F552 HydrophobicContact CB-CZ 4.37Å
441V93.3Very high90.8Very high22 Ų2268.8 Ų68.813%0.13337%0.374CS..Hα-helixtrans-61.3-44.2-178.8175.50000111.1R437 K438 R439 I443 L444 E445 L472R437-V441 WeakPolarHBondContact O-CG2 3.46Å; R437-V441 PolarHBondContact O-N 3.46Å; K438-V441 PolarHBondContact O-N 2.82Å; R439-V441 PolarHBondContact O-N 3.35Å; V441-I443 VanDerWaalsContact C-N 3.26Å; V441-I443 PolarHBondContact O-N 3.34Å; V441-L444 PolarHBondContact O-N 2.88Å; V441-E445 HydrophobicContact CG1-CG 4.16Å; V441-E445 WeakPolarHBondContact CG1-OE1 3.4Å; V441-E445 WeakPolarHBondContact O-CB 3.48Å; V441-E445 WeakPolarHBondContact O-CG 3.37Å; V441-E445 PolarHBondContact O-N 3.39Å; V441-L472 HydrophobicContact CG1-CD1 4.29Å; V441-L472 HydrophobicContact CG2-CD1 3.4Å
442Q93.5Very high90.6Very high85 Ų8567.6 Ų67.640%0.39737%0.368SS..Hα-helixtrans-58.2-36.9175.2-72.8175.9-8.300113.3K438 R439 L440 G446K438-Q442 WeakPolarHBondContact O-CG 3.48Å; K438-Q442 PolarHBondContact O-N 3.22Å; K438-Q442 VanDerWaalsContact O-N 3.12Å; R439-Q442 PolarHBondContact O-N 3.04Å; L440-Q442 VanDerWaalsContact C-N 3.35Å; L440-Q442 PolarHBondContact O-N 3.03Å; Q442-G446 PolarHBondContact O-N 2.84Å
443I92.9Very high90.5Very high21 Ų2165.4 Ų65.411%0.10835%0.353CS..Hα-helixtrans-70.5-43.7178.5-71.2163.8000110.1Y429 R439 L440 V441 G446 I448 L520 L522 I550 F552Y429-I443 HydrophobicContact CE2-CD1 4.23Å; R439-I443 HydrophobicContact CG-CD1 4.03Å; R439-I443 WeakPolarHBondContact O-CD1 3.4Å; R439-I443 WeakPolarHBondContact O-CG1 3.44Å; R439-I443 PolarHBondContact O-N 2.77Å; L440-I443 PolarHBondContact O-N 2.6Å; L440-I443 VanDerWaalsContact O-N 3.12Å; V441-I443 VanDerWaalsContact C-N 3.26Å; V441-I443 PolarHBondContact O-N 3.34Å; I443-G446 PolarHBondContact O-N 2.92Å; I443-I448 HydrophobicContact CG2-CD1 3.51Å; I443-I448 WeakPolarHBondContact O-CD1 3.37Å; I443-L520 HydrophobicContact CG2-CD2 4.46Å; I443-L522 HydrophobicContact CD1-CD1 4.32Å; I443-L522 HydrophobicContact CG2-CD1 4.18Å; I443-I550 HydrophobicContact CD1-CD1 4.27Å; I443-I550 HydrophobicContact CD1-CG2 4.03Å; I443-I550 HydrophobicContact CG2-CD1 3.86Å; I443-F552 HydrophobicContact CD1-CE1 3.74Å; I443-F552 HydrophobicContact CD1-CZ 3.79Å
444L92.3Very high90.6Very high14 Ų1461.4 Ų61.47%0.07333%0.334CS..Hα-helixtrans-66.4-39.1178.4-64.3175.6000112.6L440 V441 G446 G447 I448 I452 L469 F474 I502L440-L444 HydrophobicContact CD1-CD1 4.01Å; L440-L444 HydrophobicContact CD1-CG 4.1Å; L440-L444 HydrophobicContact CG-CD1 3.99Å; L440-L444 HydrophobicContact CG-CG 4.44Å; L440-L444 WeakPolarHBondContact O-CG 3.39Å; L440-L444 PolarHBondContact O-N 3.37Å; V441-L444 PolarHBondContact O-N 2.88Å; L444-G446 PolarHBondContact O-N 3.2Å; L444-G447 PolarHBondContact O-N 3.34Å; L444-I448 HydrophobicContact CD2-CD1 3.98Å; L444-I452 HydrophobicContact CD2-CD1 3.36Å; L444-L469 HydrophobicContact CD1-CD2 3.42Å; L444-L469 VanDerWaalsContact CD1-CD2 3.42Å; L444-F474 HydrophobicContact CB-CE1 3.69Å; L444-F474 HydrophobicContact CB-CE2 4.2Å; L444-F474 HydrophobicContact CB-CZ 3.49Å; L444-F474 VanDerWaalsContact CB-CZ 3.49Å; L444-F474 HydrophobicContact CD1-CD2 4.32Å; L444-F474 HydrophobicContact CD1-CE1 4.41Å; L444-F474 HydrophobicContact CD1-CE2 4.14Å; L444-F474 HydrophobicContact CD1-CZ 4.2Å; L444-F474 HydrophobicContact CG-CZ 4.48Å; L444-I502 HydrophobicContact CD1-CD1 4.03Å; L444-I502 HydrophobicContact CD2-CD1 4.01Å
445E90Very high90.7Very high142 Ų14256.7 Ų56.766%0.66430%0.301SS*.Hα-helixtrans-66.8-20.8174.8-73.2174.3170.400113V441 G447V441-E445 HydrophobicContact CG1-CG 4.16Å; V441-E445 WeakPolarHBondContact CG1-OE1 3.4Å; V441-E445 WeakPolarHBondContact O-CB 3.48Å; V441-E445 WeakPolarHBondContact O-CG 3.37Å; V441-E445 PolarHBondContact O-N 3.39Å; E445-G447 PolarHBondContact O-N 2.85Å
446G85Confident90.7Very high65 Ų6552 Ų5267%0.6728%0.279SS*.THydrogen-bonded Turntrans-68.4-7.4176.500000114.8Q442 I443 L444Q442-G446 PolarHBondContact O-N 2.84Å; I443-G446 PolarHBondContact O-N 2.92Å; L444-G446 PolarHBondContact O-N 3.2Å
447G80.2Confident90.6Very high66 Ų6653.8 Ų53.868%0.6829%0.289SS*.  trans82105.1-176.300000111.2L444 E445L444-G447 PolarHBondContact O-N 3.34Å; E445-G447 PolarHBondContact O-N 2.85Å
448I79Confident90.6Very high52 Ų5253.7 Ų53.727%0.26729%0.294SS..  trans-124.7139.8176.7-49174.6000108.1I443 L444 P450 I452 L520I443-I448 HydrophobicContact CG2-CD1 3.51Å; I443-I448 WeakPolarHBondContact O-CD1 3.37Å; L444-I448 HydrophobicContact CD2-CD1 3.98Å; I448-P450 WeakPolarHBondContact O-CD 3.38Å; I448-I452 HydrophobicContact CB-CG2 4.43Å; I448-I452 HydrophobicContact CG2-CG2 3.61Å; I448-L520 HydrophobicContact CD1-CD2 3.36Å; I448-L520 HydrophobicContact CG1-CD2 4.31Å; I448-L520 HydrophobicContact CG2-CB 3.89Å; I448-L520 HydrophobicContact CG2-CD2 3.81Å
449E84.5Confident90.5Very high148 Ų14852.6 Ų52.669%0.69229%0.289SS*.PPolyproline II helixtrans-72.1119.1178.4-171.4173-167.900110.3S519E449-S519 WeakPolarHBondContact O-CB 3.4Å; E449-S519 PolarHBondContact O-OG 3.08Å
450P84.4Confident90.4Very high67 Ų6756.1 Ų56.144%0.43531%0.306SS..SBendtrans-71.7154.3173.129.8-33.5000111.2I448 D501I448-P450 WeakPolarHBondContact O-CD 3.38Å; P450-D501 HydrophobicContact CB-CB 3.85Å
451P88.7Confident90.3Very high30 Ų3057.3 Ų57.320%0.19532%0.319CS..PPolyproline II helixcis-84.4147.5132.8-33.7000112.9L495 D501 I515 V518 S519P451-L495 HydrophobicContact CB-CD1 3.74Å; P451-L495 HydrophobicContact CB-CD2 4.23Å; P451-L495 HydrophobicContact CB-CG 3.83Å; P451-D501 WeakPolarHBondContact CA-O 3.31Å; P451-I515 HydrophobicContact CG-CG2 4.3Å; P451-V518 VanDerWaalsContact O-CG1 3.28Å; P451-V518 WeakPolarHBondContact O-CG1 3.35Å; P451-S519 PolarHBondContact O-N 3.21Å
452I90.9Very high90.3Very high6 Ų656.3 Ų56.33%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-118.3152.8173.470170.5000111.5L444 I448 I454 D501 I502 L503 L520L444-I452 HydrophobicContact CD2-CD1 3.36Å; I448-I452 HydrophobicContact CB-CG2 4.43Å; I448-I452 HydrophobicContact CG2-CG2 3.61Å; I452-I454 HydrophobicContact CD1-CD1 4.49Å; I452-I454 HydrophobicContact CD1-CG1 4.46Å; I452-D501 PolarHBondContact N-O 3.18Å; I452-I502 HydrophobicContact CD1-CB 4.36Å; I452-I502 HydrophobicContact CD1-CD1 4.01Å; I452-I502 HydrophobicContact CD1-CG1 3.76Å; I452-I502 HydrophobicContact CD1-CG2 4.06Å; I452-I502 HydrophobicContact CG1-CB 4.04Å; I452-I502 HydrophobicContact CG1-CG1 3.75Å; I452-I502 HydrophobicContact CG1-CG2 3.94Å; I452-L503 PolarHBondContact O-N 3.46Å; I452-L520 WeakPolarHBondContact CA-O 3.44Å; I452-L520 HydrophobicContact CB-CB 4.46Å; I452-L520 HydrophobicContact CG2-CB 3.98Å
453I92.1Very high90.3Very high4 Ų454.5 Ų54.52%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-116.5127.2173.7-58.2-178.1000109.9F455 L503 I515 V518 L520 V521 L522 R539I453-F455 HydrophobicContact CB-CE2 4.35Å; I453-F455 HydrophobicContact CG2-CD2 3.81Å; I453-F455 HydrophobicContact CG2-CE1 4.4Å; I453-F455 HydrophobicContact CG2-CE2 3.45Å; I453-F455 VanDerWaalsContact CG2-CE2 3.45Å; I453-F455 HydrophobicContact CG2-CG 4.43Å; I453-F455 HydrophobicContact CG2-CZ 3.78Å; I453-L503 CarbonylContact C-O 3.46Å; I453-L503 WeakPolarHBondContact CA-O 3.24Å; I453-L503 HydrophobicContact CD1-CD2 4.3Å; I453-L503 HydrophobicContact CG1-CB 4.3Å; I453-L503 HydrophobicContact CG1-CD2 4.25Å; I453-I515 HydrophobicContact CD1-CD1 4.06Å; I453-V518 HydrophobicContact CB-CG1 4.32Å; I453-V518 HydrophobicContact CD1-CG1 4.36Å; I453-V518 HydrophobicContact CD1-CG2 3.65Å; I453-V518 HydrophobicContact CG1-CG1 3.84Å; I453-V518 HydrophobicContact CG1-CG2 3.89Å; I453-L520 PolarHBondContact N-O 3.21Å; I453-L520 VanDerWaalsContact N-O 3.11Å; I453-V521 CarbonylContact O-C 3.58Å; I453-V521 WeakPolarHBondContact O-CA 3.33Å; I453-L522 PolarHBondContact O-N 3.02Å; I453-R539 HydrophobicContact CD1-CB 4.24Å; I453-R539 HydrophobicContact CD1-CG 4.48Å
454I95Very high90.5Very high0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-107.7117.1172.5-57.1176.5000109.1L440 I452 L465 L469 I502 L503 V504 A505 L522L440-I454 HydrophobicContact CD1-CD1 3.88Å; L440-I454 HydrophobicContact CD2-CD1 4.28Å; I452-I454 HydrophobicContact CD1-CD1 4.49Å; I452-I454 HydrophobicContact CD1-CG1 4.46Å; I454-L465 HydrophobicContact CG2-CD2 3.79Å; I454-L469 HydrophobicContact CD1-CD1 3.78Å; I454-I502 HydrophobicContact CD1-CG2 3.45Å; I454-I502 VanDerWaalsContact CD1-CG2 3.45Å; I454-I502 HydrophobicContact CG1-CG2 3.89Å; I454-L503 PolarHBondContact N-O 3.1Å; I454-V504 HydrophobicContact CB-CG2 4.38Å; I454-V504 CarbonylContact O-C 3.47Å; I454-V504 WeakPolarHBondContact O-CA 3.33Å; I454-A505 PolarHBondContact O-N 3.5Å; I454-L522 CarbonylContact C-O 3.49Å; I454-L522 VanDerWaalsContact CA-O 3.26Å; I454-L522 WeakPolarHBondContact CA-O 3.36Å; I454-L522 HydrophobicContact CG1-CB 4.3Å; I454-L522 HydrophobicContact CG2-CD2 3.99Å
455F95.5Very high90.6Very high4 Ų459.5 Ų59.52%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-93.4134.8176.8-77.7-78.1000112.7I453 A505 V521 L522 Y524 D525 R536 R539I453-F455 HydrophobicContact CB-CE2 4.35Å; I453-F455 HydrophobicContact CG2-CD2 3.81Å; I453-F455 HydrophobicContact CG2-CE1 4.4Å; I453-F455 HydrophobicContact CG2-CE2 3.45Å; I453-F455 VanDerWaalsContact CG2-CE2 3.45Å; I453-F455 HydrophobicContact CG2-CG 4.43Å; I453-F455 HydrophobicContact CG2-CZ 3.78Å; F455-A505 VanDerWaalsContact CA-O 3.31Å; F455-A505 WeakPolarHBondContact CA-O 3.15Å; F455-A505 HydrophobicContact CD1-CB 4.39Å; F455-A505 HydrophobicContact CE1-CB 4.21Å; F455-V521 HydrophobicContact CD2-CG1 3.79Å; F455-V521 HydrophobicContact CE2-CG1 3.93Å; F455-L522 PolarHBondContact N-O 3.49Å; F455-Y524 WeakPolarHBondContact O-CB 3.47Å; F455-Y524 PolarHBondContact O-N 3.16Å; F455-D525 PolarHBondContact O-N 2.79Å; F455-R536 HydrophobicContact CB-CG 4.48Å; F455-R536 HydrophobicContact CD1-CG 3.95Å; F455-R536 HydrophobicContact CD2-CB 3.78Å; F455-R536 HydrophobicContact CD2-CG 3.64Å; F455-R536 HydrophobicContact CE1-CG 4.01Å; F455-R536 HydrophobicContact CE2-CB 3.71Å; F455-R536 HydrophobicContact CE2-CG 3.7Å; F455-R536 HydrophobicContact CG-CB 4.4Å; F455-R536 HydrophobicContact CG-CG 3.77Å; F455-R536 HydrophobicContact CZ-CB 4.29Å; F455-R536 HydrophobicContact CZ-CG 3.89Å; F455-R539 HydrophobicContact CE2-CG 4.45Å; F455-R539 HydrophobicContact CZ-CG 4.41Å
456V95.6Very high90.8Very high2 Ų253.1 Ų53.11%0.01230%0.303CS..  trans-131.4152.3173.8-65.30000109.9A462 L465 V504 A505 T506 Y524V456-A462 HydrophobicContact CG2-CB 3.58Å; V456-L465 HydrophobicContact CG1-CD2 3.72Å; V456-V504 HydrophobicContact CG1-CG1 4.34Å; V456-V504 HydrophobicContact CG2-CG1 4.21Å; V456-A505 PolarHBondContact N-O 3.27Å; V456-T506 HydrophobicContact CG2-CG2 4.19Å; V456-T506 WeakPolarHBondContact O-CA 3.47Å; V456-Y524 HydrophobicContact CG1-CD1 4.07Å; V456-Y524 HydrophobicContact CG1-CG 4.32Å
457N93.2Very high91.3Very high39 Ų3956.4 Ų56.421%0.20930%0.299CS..SBendtrans-81.2-24.6-173.9-72.9-15.8000113.3D525 M526 R536N457-D525 HydrophobicContact CB-CB 4.12Å; N457-D525 PolarHBondContact N-OD2 3.28Å; N457-D525 WeakPolarHBondContact ND2-CB 3.49Å; N457-M526 PolarHBondContact ND2-O 3.04Å; N457-M526 PolarHBondContact OD1-O 3.08Å; N457-R536 PolarHBondContact OD1-NH2 3.21Å
458Q92.4Very high92Very high134 Ų13453.8 Ų53.863%0.62627%0.272SS*.SBendtrans-123.6142.3-173.6-61.6-172.311.800113K460 G461 A462Q458-K460 VanDerWaalsContact C-N 3.31Å; Q458-K460 PolarHBondContact O-N 2.89Å; Q458-G461 WeakPolarHBondContact O-CA 3.33Å; Q458-G461 PolarHBondContact O-N 3.02Å; Q458-A462 PolarHBondContact O-N 3.38Å; Q458-A462 VanDerWaalsContact O-N 3.14Å
459K92.2Very high92.7Very high127 Ų12751.4 Ų51.455%0.55226%0.26SS*.Hα-helixtrans-55.4-41.2177.865.3-177-179.1-177.30113.7G461 A462 D463 H480K459-G461 VanDerWaalsContact C-N 3.32Å; K459-G461 PolarHBondContact O-N 3.47Å; K459-A462 WeakPolarHBondContact O-CB 3.5Å; K459-A462 PolarHBondContact O-N 2.7Å; K459-D463 PolarHBondContact O-N 3.21Å; K459-H480 HydrophobicContact CB-CB 3.95Å
460K93.1Very high93.2Very high149 Ų14949.8 Ų49.865%0.64825%0.252SS*.Hα-helixtrans-65-38.4177.6-69.4-175.5178.2-179.60111.3Q458 A462 D463 I464Q458-K460 VanDerWaalsContact C-N 3.31Å; Q458-K460 PolarHBondContact O-N 2.89Å; K460-A462 VanDerWaalsContact C-N 3.31Å; K460-A462 PolarHBondContact O-N 2.86Å; K460-D463 PolarHBondContact O-N 2.97Å; K460-I464 WeakPolarHBondContact O-CD1 3.47Å; K460-I464 VanDerWaalsContact O-CG1 3.24Å; K460-I464 WeakPolarHBondContact O-CG1 3.31Å; K460-I464 PolarHBondContact O-N 3.29Å; K460-I464 VanDerWaalsContact O-N 3.12Å
461G92.6Very high93.6Very high27 Ų2755.3 Ų55.328%0.27827%0.269SS..Hα-helixtrans-61.1-40.7175.600000111.8Q458 K459 I464 L465Q458-G461 WeakPolarHBondContact O-CA 3.33Å; Q458-G461 PolarHBondContact O-N 3.02Å; K459-G461 VanDerWaalsContact C-N 3.32Å; K459-G461 PolarHBondContact O-N 3.47Å; G461-I464 PolarHBondContact O-N 3.22Å; G461-L465 WeakPolarHBondContact O-CB 3.38Å; G461-L465 PolarHBondContact O-N 3.19Å
462A93.2Very high93.8Very high0 Ų058.1 Ų58.10%028%0.282CS..Hα-helixtrans-61.2-48.7179.300000112.4V456 Q458 K459 K460 L465 A466 V504V456-A462 HydrophobicContact CG2-CB 3.58Å; Q458-A462 PolarHBondContact O-N 3.38Å; Q458-A462 VanDerWaalsContact O-N 3.14Å; K459-A462 WeakPolarHBondContact O-CB 3.5Å; K459-A462 PolarHBondContact O-N 2.7Å; K460-A462 VanDerWaalsContact C-N 3.31Å; K460-A462 PolarHBondContact O-N 2.86Å; A462-L465 PolarHBondContact O-N 2.85Å; A462-A466 VanDerWaalsContact O-CB 3.29Å; A462-A466 WeakPolarHBondContact O-CB 3.37Å; A462-A466 PolarHBondContact O-N 2.72Å; A462-V504 HydrophobicContact CB-CG1 3.98Å
463D94.4Very high93.8Very high47 Ų4760.8 Ų60.825%0.25131%0.311SS..Hα-helixtrans-65.2-41.8178.8-78.6-38000112.6K459 K460 K467 H480 K483K459-D463 PolarHBondContact O-N 3.21Å; K460-D463 PolarHBondContact O-N 2.97Å; D463-K467 WeakPolarHBondContact O-CB 3.5Å; D463-K467 VanDerWaalsContact O-CG 3.3Å; D463-K467 WeakPolarHBondContact O-CG 3.41Å; D463-K467 PolarHBondContact O-N 2.85Å; D463-H480 IonicContact OD1-CD2 2.7Å; D463-H480 IonicContact OD1-NE2 3.32Å; D463-H480 PolarHBondContact OD1-NE2 2.84Å; D463-H480 IonicContact OD2-CE1 3.83Å; D463-H480 IonicContact OD2-NE2 2.77Å; D463-H480 PolarHBondContact OD2-NE2 3.43Å; D463-H480 VanDerWaalsContact OD2-NE2 3.11Å; D463-K483 WeakPolarHBondContact OD1-CE 3.36Å; D463-K483 IonicContact OD1-NZ 3.39Å; D463-K483 PolarHBondContact OD1-NZ 2.83Å
464I95.4Very high93.9Very high124 Ų12462.9 Ų62.964%0.63632%0.32SS*.Hα-helixtrans-66.7-43.5180-67.6167.4000110.3K460 G461 G468K460-I464 WeakPolarHBondContact O-CD1 3.47Å; K460-I464 VanDerWaalsContact O-CG1 3.24Å; K460-I464 WeakPolarHBondContact O-CG1 3.31Å; K460-I464 PolarHBondContact O-N 3.29Å; K460-I464 VanDerWaalsContact O-N 3.12Å; G461-I464 PolarHBondContact O-N 3.22Å; I464-G468 PolarHBondContact O-N 3.43Å
465L95Very high93.8Very high16 Ų1666.3 Ų66.38%0.08434%0.339CS..Hα-helixtrans-66.2-45.8179.7-172.260.2000111.1L440 I454 V456 G461 A462 K467 G468 L469 V504 Y524L440-L465 HydrophobicContact CD2-CD1 3.67Å; L440-L465 HydrophobicContact CD2-CD2 4.28Å; L440-L465 HydrophobicContact CD2-CG 4.3Å; I454-L465 HydrophobicContact CG2-CD2 3.79Å; V456-L465 HydrophobicContact CG1-CD2 3.72Å; G461-L465 WeakPolarHBondContact O-CB 3.38Å; G461-L465 PolarHBondContact O-N 3.19Å; A462-L465 PolarHBondContact O-N 2.85Å; L465-K467 PolarHBondContact O-N 3.38Å; L465-G468 WeakPolarHBondContact O-CA 3.47Å; L465-G468 PolarHBondContact O-N 3.35Å; L465-G468 VanDerWaalsContact O-N 3.1Å; L465-L469 HydrophobicContact CG-CD1 4.37Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.1Å; L465-V504 HydrophobicContact CB-CG1 4.34Å; L465-V504 HydrophobicContact CD2-CG1 4.11Å; L465-Y524 HydrophobicContact CD1-CD2 4.43Å; L465-Y524 HydrophobicContact CD1-CE2 4.05Å; L465-Y524 HydrophobicContact CD2-CD1 4.29Å; L465-Y524 HydrophobicContact CD2-CD2 3.99Å; L465-Y524 HydrophobicContact CD2-CE2 4.38Å; L465-Y524 HydrophobicContact CD2-CG 3.93Å
466A94.7Very high93.7Very high8 Ų866.4 Ų66.47%0.06634%0.34CS..Hα-helixtrans-58.7-48.6175.900000111.7A462 G468 L469 E470 P476 A478 V504A462-A466 VanDerWaalsContact O-CB 3.29Å; A462-A466 WeakPolarHBondContact O-CB 3.37Å; A462-A466 PolarHBondContact O-N 2.72Å; A466-G468 PolarHBondContact O-N 3.09Å; A466-L469 PolarHBondContact O-N 2.81Å; A466-E470 WeakPolarHBondContact O-CB 3.48Å; A466-E470 PolarHBondContact O-N 3.09Å; A466-P476 HydrophobicContact CB-CB 4.2Å; A466-P476 HydrophobicContact CB-CG 4.33Å; A466-P476 WeakPolarHBondContact O-CG 3.3Å; A466-A478 HydrophobicContact CB-CB 3.88Å; A466-V504 HydrophobicContact CB-CB 4.48Å; A466-V504 HydrophobicContact CB-CG2 4.21Å
467K95Very high93.6Very high135 Ų13566.9 Ų66.959%0.58734%0.343SS*.Hα-helixtrans-60.5-35.2174.5-73.1176.6-179.7-1780112.7D463 L465 K471D463-K467 WeakPolarHBondContact O-CB 3.5Å; D463-K467 VanDerWaalsContact O-CG 3.3Å; D463-K467 WeakPolarHBondContact O-CG 3.41Å; D463-K467 PolarHBondContact O-N 2.85Å; L465-K467 PolarHBondContact O-N 3.38Å; K467-K471 WeakPolarHBondContact O-CG 3.45Å; K467-K471 PolarHBondContact O-N 3.32Å
468G94.3Very high93.6Very high10 Ų1065.8 Ų65.810%0.10334%0.339CS..Hα-helixtrans-66.8-38.1177.100000113.1I464 L465 A466 L472I464-G468 PolarHBondContact O-N 3.43Å; L465-G468 WeakPolarHBondContact O-CA 3.47Å; L465-G468 PolarHBondContact O-N 3.35Å; L465-G468 VanDerWaalsContact O-N 3.1Å; A466-G468 PolarHBondContact O-N 3.09Å; G468-L472 WeakPolarHBondContact O-CG 3.49Å
469L94.5Very high93.5Very high3 Ų359.6 Ų59.62%0.01631%0.311CS..Hα-helixtrans-73.7-39.4176.2-70.8175.3000111.9L440 L444 I454 L465 A466 K471 L472 G473 F474 P476 I502 V504L440-L469 HydrophobicContact CD2-CD1 4.41Å; L440-L469 HydrophobicContact CD2-CD2 4.03Å; L440-L469 HydrophobicContact CG-CD2 4.49Å; L444-L469 HydrophobicContact CD1-CD2 3.42Å; L444-L469 VanDerWaalsContact CD1-CD2 3.42Å; I454-L469 HydrophobicContact CD1-CD1 3.78Å; L465-L469 HydrophobicContact CG-CD1 4.37Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.1Å; A466-L469 PolarHBondContact O-N 2.81Å; L469-K471 VanDerWaalsContact C-N 3.3Å; L469-K471 PolarHBondContact O-N 2.96Å; L469-L472 PolarHBondContact O-N 3.32Å; L469-G473 PolarHBondContact O-N 3.35Å; L469-F474 HydrophobicContact CB-CB 4.3Å; L469-F474 HydrophobicContact CD2-CD2 4.12Å; L469-F474 PolarHBondContact O-N 2.94Å; L469-F474 VanDerWaalsContact O-N 3.17Å; L469-P476 HydrophobicContact CB-CB 4.27Å; L469-P476 HydrophobicContact CB-CG 3.93Å; L469-P476 HydrophobicContact CD1-CB 4.49Å; L469-I502 HydrophobicContact CD1-CD1 4.37Å; L469-I502 HydrophobicContact CD1-CG2 4.18Å; L469-V504 HydrophobicContact CD1-CG2 4.23Å
470E94.4Very high93.3Very high114 Ų11454 Ų5453%0.53329%0.286SS..Hα-helixtrans-60.2-40.2175.5-171.7171.1-146.700111.6A466 L472 G473 P476A466-E470 WeakPolarHBondContact O-CB 3.48Å; A466-E470 PolarHBondContact O-N 3.09Å; E470-L472 PolarHBondContact O-N 3.03Å; E470-G473 PolarHBondContact O-N 3.5Å; E470-G473 VanDerWaalsContact O-N 3.08Å; E470-P476 HydrophobicContact CB-CG 3.97Å
471K94.2Very high92.7Very high182 Ų18249 Ų4979%0.79128%0.277SS*.THydrogen-bonded Turntrans-64.2-21.6173.8-75.5-178.4-179.5-171.30114.6K467 L469 G473K467-K471 WeakPolarHBondContact O-CG 3.45Å; K467-K471 PolarHBondContact O-N 3.32Å; L469-K471 VanDerWaalsContact C-N 3.3Å; L469-K471 PolarHBondContact O-N 2.96Å; K471-G473 VanDerWaalsContact C-N 3.33Å
472L92.7Very high92.2Very high89 Ų8950.4 Ų50.447%0.46629%0.291SS..THydrogen-bonded Turntrans-91.82.5177.6-66.3171.3000112.2V441 G468 L469 E470 F474V441-L472 HydrophobicContact CG1-CD1 4.29Å; V441-L472 HydrophobicContact CG2-CD1 3.4Å; G468-L472 WeakPolarHBondContact O-CG 3.49Å; L469-L472 PolarHBondContact O-N 3.32Å; E470-L472 PolarHBondContact O-N 3.03Å; L472-F474 HydrophobicContact CB-CD2 3.88Å; L472-F474 HydrophobicContact CB-CE2 4Å
473G91.4Very high91.7Very high62 Ų6253.4 Ų53.464%0.63930%0.304SS*.THydrogen-bonded Turntrans88.69.6178.900000114.7L469 E470 K471L469-G473 PolarHBondContact O-N 3.35Å; E470-G473 PolarHBondContact O-N 3.5Å; E470-G473 VanDerWaalsContact O-N 3.08Å; K471-G473 VanDerWaalsContact C-N 3.33Å
474F92.8Very high91.2Very high49 Ų4953.5 Ų53.522%0.21532%0.316CS..  trans-82.7162.8170.3-62.7-77000111.1L444 L469 L472 P476 I502L444-F474 HydrophobicContact CB-CE1 3.69Å; L444-F474 HydrophobicContact CB-CE2 4.2Å; L444-F474 HydrophobicContact CB-CZ 3.49Å; L444-F474 VanDerWaalsContact CB-CZ 3.49Å; L444-F474 HydrophobicContact CD1-CD2 4.32Å; L444-F474 HydrophobicContact CD1-CE1 4.41Å; L444-F474 HydrophobicContact CD1-CE2 4.14Å; L444-F474 HydrophobicContact CD1-CZ 4.2Å; L444-F474 HydrophobicContact CG-CZ 4.48Å; L469-F474 HydrophobicContact CB-CB 4.3Å; L469-F474 HydrophobicContact CD2-CD2 4.12Å; L469-F474 PolarHBondContact O-N 2.94Å; L469-F474 VanDerWaalsContact O-N 3.17Å; L472-F474 HydrophobicContact CB-CD2 3.88Å; L472-F474 HydrophobicContact CB-CE2 4Å; F474-P476 WeakPolarHBondContact O-CD 3.47Å; F474-I502 HydrophobicContact CB-CD1 3.87Å; F474-I502 HydrophobicContact CD1-CD1 4.06Å; F474-I502 HydrophobicContact CG-CD1 4.08Å
475N93.2Very high90.2Very high71 Ų7149.4 Ų49.438%0.3830%0.295SS..  trans-107.173.2179.1-59.2-48.9000112.2K500 D501 I502N475-K500 HydrophobicContact CB-CD 4.07Å; N475-K500 WeakPolarHBondContact O-CA 3.49Å; N475-K500 WeakPolarHBondContact O-CD 3.47Å; N475-D501 HydrophobicContact CB-CB 4.49Å; N475-D501 WeakPolarHBondContact CB-OD2 3.42Å; N475-D501 PolarHBondContact ND2-OD2 2.92Å; N475-D501 PolarHBondContact O-N 3.09Å; N475-I502 PolarHBondContact O-N 2.88Å
476P93.9Very high89.7Confident7 Ų756.8 Ų56.85%0.04533%0.329CS..EExtended strand (participates in β ladder)trans-85.3154.9-179.335.3-36.5000113A466 L469 E470 F474 K500 I502 V504A466-P476 HydrophobicContact CB-CB 4.2Å; A466-P476 HydrophobicContact CB-CG 4.33Å; A466-P476 WeakPolarHBondContact O-CG 3.3Å; L469-P476 HydrophobicContact CB-CB 4.27Å; L469-P476 HydrophobicContact CB-CG 3.93Å; L469-P476 HydrophobicContact CD1-CB 4.49Å; E470-P476 HydrophobicContact CB-CG 3.97Å; F474-P476 WeakPolarHBondContact O-CD 3.47Å; P476-K500 PolarHBondContact O-NZ 3.02Å; P476-I502 CarbonylContact C-O 3.53Å; P476-I502 WeakPolarHBondContact CA-O 3.35Å; P476-I502 HydrophobicContact CB-CB 4.28Å; P476-V504 HydrophobicContact CB-CG2 4.48Å
477C92.6Very high89.2Confident11 Ų1158.7 Ų58.77%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-124.9144.116161.40000109.7A491 K500 I502 L503 V504C477-A491 HydrophobicContact CB-CB 3.98Å; C477-K500 HydrophobicContact CB-CB 4.46Å; C477-K500 HydrophobicContact CB-CG 4.24Å; C477-I502 PolarHBondContact N-O 3.39Å; C477-L503 WeakPolarHBondContact SG-CD1 3.42Å; C477-V504 PolarHBondContact O-N 3.35Å
478A92.8Very high88.6Confident16 Ų1654.2 Ų54.213%0.13232%0.324CS..EExtended strand (participates in β ladder)trans-108.3131.5-179.100000110.8A466 K483 V504A466-A478 HydrophobicContact CB-CB 3.88Å; A478-K483 WeakPolarHBondContact O-CE 3.42Å; A478-V504 CarbonylContact C-O 3.58Å; A478-V504 WeakPolarHBondContact CA-O 3.47Å
479L90.2Very high88.1Confident5 Ų557.1 Ų57.13%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-131.4114.6-179-163.684.3000111.4R488 A491 L492 L503 V504 A505 T506 A509 I513L479-R488 HydrophobicContact CD1-CB 3.7Å; L479-R488 HydrophobicContact CD1-CG 3.64Å; L479-A491 HydrophobicContact CD1-CB 4.21Å; L479-L492 HydrophobicContact CD2-CD2 4.47Å; L479-L503 HydrophobicContact CB-CD1 3.75Å; L479-V504 PolarHBondContact N-O 3.07Å; L479-A505 HydrophobicContact CB-CB 4.47Å; L479-A505 VanDerWaalsContact O-CA 3.28Å; L479-A505 WeakPolarHBondContact O-CA 3.39Å; L479-T506 PolarHBondContact O-N 2.94Å; L479-A509 HydrophobicContact CB-CB 4.46Å; L479-A509 HydrophobicContact CD2-CB 3.97Å; L479-A509 HydrophobicContact CG-CB 3.93Å; L479-A509 WeakPolarHBondContact O-CB 3.25Å; L479-I513 HydrophobicContact CD2-CD1 3.3Å; L479-I513 HydrophobicContact CD2-CG1 4.14Å
480H88.9Confident87.8Confident9 Ų964 Ų644%0.04236%0.364CS..  trans-152.1166.4179.259.958.3000110.9K459 D463 G482 K483 T506K459-H480 HydrophobicContact CB-CB 3.95Å; D463-H480 IonicContact OD1-CD2 2.7Å; D463-H480 IonicContact OD1-NE2 3.32Å; D463-H480 PolarHBondContact OD1-NE2 2.84Å; D463-H480 IonicContact OD2-CE1 3.83Å; D463-H480 IonicContact OD2-NE2 2.77Å; D463-H480 PolarHBondContact OD2-NE2 3.43Å; D463-H480 VanDerWaalsContact OD2-NE2 3.11Å; H480-G482 WeakPolarHBondContact ND1-CA 3.28Å; H480-G482 PolarHBondContact ND1-N 2.88Å; H480-G482 VanDerWaalsContact ND1-N 3.12Å; H480-G482 PolarHBondContact O-N 3.39Å; H480-K483 PolarHBondContact ND1-N 3.2Å; H480-K483 WeakPolarHBondContact NE2-CE 3.1Å; H480-K483 PolarHBondContact O-N 2.98Å; H480-T506 HydrophobicContact CB-CG2 3.92Å
481G79.7Confident87.4Confident44 Ų4458.7 Ų58.745%0.45434%0.34SS..THydrogen-bonded Turntrans-48.4-33.5-177.700000115.4R488G481-R488 PolarHBondContact O-NH2 2.92Å
482G83Confident86.9Confident56 Ų5651.4 Ų51.458%0.57731%0.309SS*.THydrogen-bonded Turntrans-82.8-1.5178.500000117.8H480H480-G482 WeakPolarHBondContact ND1-CA 3.28Å; H480-G482 PolarHBondContact ND1-N 2.88Å; H480-G482 VanDerWaalsContact ND1-N 3.12Å; H480-G482 PolarHBondContact O-N 3.39Å
483K83Confident86.5Confident63 Ų6349.1 Ų49.127%0.27430%0.301SS..SBendtrans-79136.5173.1-67.4-65.6-175.4-170.90109.3D463 A478 H480 R488D463-K483 WeakPolarHBondContact OD1-CE 3.36Å; D463-K483 IonicContact OD1-NZ 3.39Å; D463-K483 PolarHBondContact OD1-NZ 2.83Å; A478-K483 WeakPolarHBondContact O-CE 3.42Å; H480-K483 PolarHBondContact ND1-N 3.2Å; H480-K483 WeakPolarHBondContact NE2-CE 3.1Å; H480-K483 PolarHBondContact O-N 2.98Å; K483-R488 HydrophobicContact CB-CG 4.1Å; K483-R488 PolarHBondContact O-NE 2.87Å
484G82.9Confident86.5Confident49 Ų4946.3 Ų46.351%0.50527%0.271SS..  trans-63.7160.3170.600000111.8E486 A487 R488G484-E486 PolarHBondContact O-N 3.48Å; G484-A487 PolarHBondContact O-N 2.82Å; G484-R488 PolarHBondContact O-N 2.84Å; G484-R488 VanDerWaalsContact O-N 3.15Å
485Q74.7Confident86.2Confident38 Ų3844.3 Ų44.318%0.17826%0.263CS..Hα-helixtrans-61.4-47.4-171.3-171.566.931.300113R264 A487 R488 D489R264-Q485 VanDerWaalsContact CD-OE1 3.31Å; R264-Q485 VanDerWaalsContact CZ-CG 3.48Å; R264-Q485 VanDerWaalsContact CZ-OE1 3.29Å; R264-Q485 VanDerWaalsContact NH1-CG 3.26Å; Q485-A487 PolarHBondContact O-N 3.28Å; Q485-R488 WeakPolarHBondContact O-CA 3.36Å; Q485-R488 WeakPolarHBondContact O-CB 3.14Å; Q485-R488 PolarHBondContact O-N 3.4Å; Q485-D489 PolarHBondContact NE2-OD1 3.21Å; Q485-D489 PolarHBondContact O-N 3.4Å
486E84.1Confident85.7Confident172 Ų17247.9 Ų47.980%0.80428%0.275SS*.Hα-helixtrans-56.7-38179.7-64.9176.8177.300111.8G484 R488 Y490G484-E486 PolarHBondContact O-N 3.48Å; E486-R488 VanDerWaalsContact C-N 3.35Å; E486-Y490 WeakPolarHBondContact O-CB 3.33Å; E486-Y490 PolarHBondContact O-N 3.1Å
487A85.8Confident85.3Confident48 Ų4854.7 Ų54.740%0.39731%0.306SS..Hα-helixtrans-70-30.5176.100000112.8G484 Q485 A491G484-A487 PolarHBondContact O-N 2.82Å; Q485-A487 PolarHBondContact O-N 3.28Å; A487-A491 VanDerWaalsContact O-CB 3.3Å; A487-A491 WeakPolarHBondContact O-CB 3.25Å; A487-A491 PolarHBondContact O-N 2.99Å
488R82.5Confident85Confident40 Ų4056.6 Ų56.615%0.15133%0.328CS..Hα-helixtrans-70-49173.6-64.7-170.6-176.4-172.92.3110.9E265 L479 G481 K483 G484 Q485 E486 Y490 A491 L492E265-R488 IonicContact OE1-CZ 3.14Å; E265-R488 IonicContact OE1-NH1 3.4Å; E265-R488 PolarHBondContact OE1-NH1 3.17Å; L479-R488 HydrophobicContact CD1-CB 3.7Å; L479-R488 HydrophobicContact CD1-CG 3.64Å; G481-R488 PolarHBondContact O-NH2 2.92Å; K483-R488 HydrophobicContact CB-CG 4.1Å; K483-R488 PolarHBondContact O-NE 2.87Å; G484-R488 PolarHBondContact O-N 2.84Å; G484-R488 VanDerWaalsContact O-N 3.15Å; Q485-R488 WeakPolarHBondContact O-CA 3.36Å; Q485-R488 WeakPolarHBondContact O-CB 3.14Å; Q485-R488 PolarHBondContact O-N 3.4Å; E486-R488 VanDerWaalsContact C-N 3.35Å; R488-Y490 VanDerWaalsContact C-N 3.32Å; R488-Y490 PolarHBondContact O-N 3.44Å; R488-A491 PolarHBondContact O-N 3.11Å; R488-A491 VanDerWaalsContact O-N 3.13Å; R488-L492 WeakPolarHBondContact O-CG 3.45Å; R488-L492 PolarHBondContact O-N 2.96Å
489D82.8Confident84.8Confident72 Ų7258.6 Ų58.639%0.38534%0.341SS..Hα-helixtrans-62.8-43-179.2-61.9-14.2000110.1Q485 A491 L492 S493Q485-D489 PolarHBondContact NE2-OD1 3.21Å; Q485-D489 PolarHBondContact O-N 3.4Å; D489-A491 PolarHBondContact O-N 3Å; D489-L492 PolarHBondContact O-N 3.2Å; D489-S493 WeakPolarHBondContact O-CB 3.28Å; D489-S493 PolarHBondContact O-N 3.24Å; D489-S493 PolarHBondContact O-OG 2.84Å
490Y87.8Confident84.9Confident146 Ų14660.2 Ų60.257%0.57335%0.348SS*.Hα-helixtrans-59.5-43.9172.3176.9-100.7000112.6E486 R488 L492 S493 S494E486-Y490 WeakPolarHBondContact O-CB 3.33Å; E486-Y490 PolarHBondContact O-N 3.1Å; R488-Y490 VanDerWaalsContact C-N 3.32Å; R488-Y490 PolarHBondContact O-N 3.44Å; Y490-L492 VanDerWaalsContact C-N 3.32Å; Y490-L492 PolarHBondContact O-N 2.82Å; Y490-S493 PolarHBondContact O-OG 3.36Å; Y490-S494 WeakPolarHBondContact CE2-OG 3.42Å; Y490-S494 WeakPolarHBondContact O-CB 3.36Å; Y490-S494 PolarHBondContact O-N 2.85Å; Y490-S494 PolarHBondContact O-OG 3.38Å
491A86.9Confident85Confident3 Ų362 Ų623%0.02536%0.357CS..Hα-helixtrans-63.9-38.7179.200000112.2C477 L479 A487 R488 D489 L495C477-A491 HydrophobicContact CB-CB 3.98Å; L479-A491 HydrophobicContact CD1-CB 4.21Å; A487-A491 VanDerWaalsContact O-CB 3.3Å; A487-A491 WeakPolarHBondContact O-CB 3.25Å; A487-A491 PolarHBondContact O-N 2.99Å; R488-A491 PolarHBondContact O-N 3.11Å; R488-A491 VanDerWaalsContact O-N 3.13Å; D489-A491 PolarHBondContact O-N 3Å; A491-L495 WeakPolarHBondContact O-CB 3.34Å; A491-L495 PolarHBondContact O-N 3.23Å
492L83.2Confident85.6Confident29 Ų2960.1 Ų60.115%0.15234%0.337CS..Hα-helixtrans-74-43.1178.4-66.8177.4000112.2L479 R488 D489 Y490 L495 K496 I513 I515L479-L492 HydrophobicContact CD2-CD2 4.47Å; R488-L492 WeakPolarHBondContact O-CG 3.45Å; R488-L492 PolarHBondContact O-N 2.96Å; D489-L492 PolarHBondContact O-N 3.2Å; Y490-L492 VanDerWaalsContact C-N 3.32Å; Y490-L492 PolarHBondContact O-N 2.82Å; L492-L495 PolarHBondContact O-N 2.95Å; L492-K496 WeakPolarHBondContact O-CG 3.36Å; L492-K496 PolarHBondContact O-N 3.29Å; L492-I513 HydrophobicContact CD2-CD1 4.33Å; L492-I513 HydrophobicContact CD2-CG2 3.48Å; L492-I513 VanDerWaalsContact CD2-CG2 3.48Å; L492-I515 HydrophobicContact CD2-CD1 4.17Å; L492-I515 HydrophobicContact CD2-CG1 4.42Å
493S85.5Confident86.1Confident42 Ų4257.4 Ų57.429%0.29431%0.309SS..Hα-helixtrans-65-44.4176.670.60000110.7D489 Y490 L495 K496 E497D489-S493 WeakPolarHBondContact O-CB 3.28Å; D489-S493 PolarHBondContact O-N 3.24Å; D489-S493 PolarHBondContact O-OG 2.84Å; Y490-S493 PolarHBondContact O-OG 3.36Å; S493-L495 VanDerWaalsContact C-N 3.28Å; S493-L495 PolarHBondContact O-N 3.31Å; S493-K496 PolarHBondContact O-N 3.18Å; S493-E497 WeakPolarHBondContact O-CB 3.25Å; S493-E497 WeakPolarHBondContact O-CG 3.24Å; S493-E497 PolarHBondContact O-N 2.79Å
494S89.3Confident86.6Confident2 Ų254.4 Ų54.41%0.01430%0.296CS..Hα-helixtrans-60.9-36.3179.9-64.50000112.6Y490 G498 S499 K500Y490-S494 WeakPolarHBondContact CE2-OG 3.42Å; Y490-S494 WeakPolarHBondContact O-CB 3.36Å; Y490-S494 PolarHBondContact O-N 2.85Å; Y490-S494 PolarHBondContact O-OG 3.38Å; S494-G498 PolarHBondContact O-N 3.16Å; S494-S499 VanDerWaalsContact CA-OG 3.25Å; S494-S499 WeakPolarHBondContact CA-OG 3.15Å; S494-S499 WeakPolarHBondContact CB-OG 3.36Å; S494-S499 PolarHBondContact O-N 2.97Å; S494-S499 PolarHBondContact O-OG 3.1Å; S494-K500 PolarHBondContact O-N 3.44Å; S494-K500 VanDerWaalsContact O-N 3.12Å
495L86.6Confident87.1Confident7 Ų752.1 Ų52.14%0.03727%0.272CS..Hα-helixtrans-72.6-39.1174.8-167.479.3000111.8P451 A491 L492 S493 G498 K500 L503 I515P451-L495 HydrophobicContact CB-CD1 3.74Å; P451-L495 HydrophobicContact CB-CD2 4.23Å; P451-L495 HydrophobicContact CB-CG 3.83Å; A491-L495 WeakPolarHBondContact O-CB 3.34Å; A491-L495 PolarHBondContact O-N 3.23Å; L492-L495 PolarHBondContact O-N 2.95Å; S493-L495 VanDerWaalsContact C-N 3.28Å; S493-L495 PolarHBondContact O-N 3.31Å; L495-G498 PolarHBondContact O-N 3.25Å; L495-K500 WeakPolarHBondContact CD1-O 3.45Å; L495-L503 HydrophobicContact CD1-CB 4.26Å; L495-L503 HydrophobicContact CD2-CB 3.94Å; L495-L503 HydrophobicContact CD2-CD2 4.18Å; L495-I515 HydrophobicContact CD2-CD1 3.36Å; L495-I515 HydrophobicContact CD2-CG1 3.84Å; L495-I515 HydrophobicContact CD2-CG2 4.01Å
496K83.2Confident87.9Confident146 Ų14650.8 Ų50.864%0.63527%0.267SS*.Hα-helixtrans-67.7-35.7176.5-75.8178.2179.2-178.40112.7L492 S493 G498L492-K496 WeakPolarHBondContact O-CG 3.36Å; L492-K496 PolarHBondContact O-N 3.29Å; S493-K496 PolarHBondContact O-N 3.18Å; K496-G498 VanDerWaalsContact C-N 3.27Å
497E86.4Confident87.9Confident150 Ų15043.9 Ų43.970%0.70124%0.236SC*.THydrogen-bonded Turntrans-78.5-11.1177.9-70.7167.1-160.200112.8S493 S499S493-E497 WeakPolarHBondContact O-CB 3.25Å; S493-E497 WeakPolarHBondContact O-CG 3.24Å; S493-E497 PolarHBondContact O-N 2.79Å; E497-S499 VanDerWaalsContact C-N 3.34Å
498G85.2Confident87.2Confident51 Ų5146.2 Ų46.253%0.52624%0.244SC..THydrogen-bonded Turntrans77.814-178.400000114.6S494 L495 K496S494-G498 PolarHBondContact O-N 3.16Å; L495-G498 PolarHBondContact O-N 3.25Å; K496-G498 VanDerWaalsContact C-N 3.27Å
499S89.8Confident86.5Confident59 Ų5944.4 Ų44.441%0.41324%0.238SC..SBendtrans-78.1-24.417468.40000112.8S494 E497S494-S499 VanDerWaalsContact CA-OG 3.25Å; S494-S499 WeakPolarHBondContact CA-OG 3.15Å; S494-S499 WeakPolarHBondContact CB-OG 3.36Å; S494-S499 PolarHBondContact O-N 2.97Å; S494-S499 PolarHBondContact O-OG 3.1Å; E497-S499 VanDerWaalsContact C-N 3.34Å
500K90.9Very high85.5Confident39 Ų3941.1 Ų41.117%0.1722%0.222CC..  trans-119.4139.2172.1-65.2-65.8-173.9174.10108.4N475 P476 C477 S494 L495N475-K500 HydrophobicContact CB-CD 4.07Å; N475-K500 WeakPolarHBondContact O-CA 3.49Å; N475-K500 WeakPolarHBondContact O-CD 3.47Å; P476-K500 PolarHBondContact O-NZ 3.02Å; C477-K500 HydrophobicContact CB-CB 4.46Å; C477-K500 HydrophobicContact CB-CG 4.24Å; S494-K500 PolarHBondContact O-N 3.44Å; S494-K500 VanDerWaalsContact O-N 3.12Å; L495-K500 WeakPolarHBondContact CD1-O 3.45Å
501D91.3Very high84.5Confident46 Ų4635.6 Ų35.625%0.24620%0.2CC..  trans-101.4-26.8-174.3-61.8-48.1000112P450 P451 I452 N475P450-D501 HydrophobicContact CB-CB 3.85Å; P451-D501 WeakPolarHBondContact CA-O 3.31Å; I452-D501 PolarHBondContact N-O 3.18Å; N475-D501 HydrophobicContact CB-CB 4.49Å; N475-D501 WeakPolarHBondContact CB-OD2 3.42Å; N475-D501 PolarHBondContact ND2-OD2 2.92Å; N475-D501 PolarHBondContact O-N 3.09Å
502I93.4Very high83.2Confident4 Ų435.6 Ų35.62%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-128.7121-168.2-52.1-175.4000110.1L444 I452 I454 L469 F474 N475 P476 C477 V504L444-I502 HydrophobicContact CD1-CD1 4.03Å; L444-I502 HydrophobicContact CD2-CD1 4.01Å; I452-I502 HydrophobicContact CD1-CB 4.36Å; I452-I502 HydrophobicContact CD1-CD1 4.01Å; I452-I502 HydrophobicContact CD1-CG1 3.76Å; I452-I502 HydrophobicContact CD1-CG2 4.06Å; I452-I502 HydrophobicContact CG1-CB 4.04Å; I452-I502 HydrophobicContact CG1-CG1 3.75Å; I452-I502 HydrophobicContact CG1-CG2 3.94Å; I454-I502 HydrophobicContact CD1-CG2 3.45Å; I454-I502 VanDerWaalsContact CD1-CG2 3.45Å; I454-I502 HydrophobicContact CG1-CG2 3.89Å; L469-I502 HydrophobicContact CD1-CD1 4.37Å; L469-I502 HydrophobicContact CD1-CG2 4.18Å; F474-I502 HydrophobicContact CB-CD1 3.87Å; F474-I502 HydrophobicContact CD1-CD1 4.06Å; F474-I502 HydrophobicContact CG-CD1 4.08Å; N475-I502 PolarHBondContact O-N 2.88Å; P476-I502 CarbonylContact C-O 3.53Å; P476-I502 WeakPolarHBondContact CA-O 3.35Å; P476-I502 HydrophobicContact CB-CB 4.28Å; C477-I502 PolarHBondContact N-O 3.39Å; I502-V504 HydrophobicContact CG2-CG2 4.25Å
503L92.9Very high82.5Confident0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-99.5114.5170.2177.566.7000110.7I452 I453 I454 C477 L479 L495 A505 I513 I515I452-L503 PolarHBondContact O-N 3.46Å; I453-L503 CarbonylContact C-O 3.46Å; I453-L503 WeakPolarHBondContact CA-O 3.24Å; I453-L503 HydrophobicContact CD1-CD2 4.3Å; I453-L503 HydrophobicContact CG1-CB 4.3Å; I453-L503 HydrophobicContact CG1-CD2 4.25Å; I454-L503 PolarHBondContact N-O 3.1Å; C477-L503 WeakPolarHBondContact SG-CD1 3.42Å; L479-L503 HydrophobicContact CB-CD1 3.75Å; L495-L503 HydrophobicContact CD1-CB 4.26Å; L495-L503 HydrophobicContact CD2-CB 3.94Å; L495-L503 HydrophobicContact CD2-CD2 4.18Å; L503-A505 HydrophobicContact CG-CB 4.31Å; L503-I513 HydrophobicContact CD2-CD1 4.04Å; L503-I515 HydrophobicContact CD2-CD1 3.43Å; L503-I515 VanDerWaalsContact CD2-CD1 3.43Å
504V94.4Very high81.6Confident0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-93.7110.9172-172.80000109.3I454 V456 A462 L465 A466 L469 P476 C477 A478 L479 I502I454-V504 HydrophobicContact CB-CG2 4.38Å; I454-V504 CarbonylContact O-C 3.47Å; I454-V504 WeakPolarHBondContact O-CA 3.33Å; V456-V504 HydrophobicContact CG1-CG1 4.34Å; V456-V504 HydrophobicContact CG2-CG1 4.21Å; A462-V504 HydrophobicContact CB-CG1 3.98Å; L465-V504 HydrophobicContact CB-CG1 4.34Å; L465-V504 HydrophobicContact CD2-CG1 4.11Å; A466-V504 HydrophobicContact CB-CB 4.48Å; A466-V504 HydrophobicContact CB-CG2 4.21Å; L469-V504 HydrophobicContact CD1-CG2 4.23Å; P476-V504 HydrophobicContact CB-CG2 4.48Å; C477-V504 PolarHBondContact O-N 3.35Å; A478-V504 CarbonylContact C-O 3.58Å; A478-V504 WeakPolarHBondContact CA-O 3.47Å; L479-V504 PolarHBondContact N-O 3.07Å; I502-V504 HydrophobicContact CG2-CG2 4.25Å
505A92.6Very high80.7Confident0 Ų035.1 Ų35.10%019%0.194CC..EExtended strand (participates in β ladder)trans-127.6151-172.100000114.2I454 F455 V456 L479 L503I454-A505 PolarHBondContact O-N 3.5Å; F455-A505 VanDerWaalsContact CA-O 3.31Å; F455-A505 WeakPolarHBondContact CA-O 3.15Å; F455-A505 HydrophobicContact CD1-CB 4.39Å; F455-A505 HydrophobicContact CE1-CB 4.21Å; V456-A505 PolarHBondContact N-O 3.27Å; L479-A505 HydrophobicContact CB-CB 4.47Å; L479-A505 VanDerWaalsContact O-CA 3.28Å; L479-A505 WeakPolarHBondContact O-CA 3.39Å; L503-A505 HydrophobicContact CG-CB 4.31Å
506T91.7Very high79.6Confident11 Ų1142.3 Ų42.37%0.06723%0.225CC..  trans-93.4157.7164.2580000110.9V456 L479 H480 V508 A509 G510V456-T506 HydrophobicContact CG2-CG2 4.19Å; V456-T506 WeakPolarHBondContact O-CA 3.47Å; L479-T506 PolarHBondContact O-N 2.94Å; H480-T506 HydrophobicContact CB-CG2 3.92Å; T506-V508 VanDerWaalsContact C-N 3.29Å; T506-V508 PolarHBondContact O-N 3.33Å; T506-A509 PolarHBondContact O-N 3.41Å; T506-G510 PolarHBondContact O-N 3.16Å
507D84Confident78.7Confident27 Ų2738.5 Ų38.514%0.14421%0.212CC..Hα-helixtrans-48.1-48.3179.3-63.1-68.4000113.8A509 G510 R511 R536D507-A509 PolarHBondContact O-N 3.12Å; D507-G510 PolarHBondContact O-N 2.89Å; D507-G510 VanDerWaalsContact O-N 3.16Å; D507-R511 VanDerWaalsContact O-CG 3.3Å; D507-R511 WeakPolarHBondContact O-CG 3.32Å; D507-R511 PolarHBondContact O-N 3.39Å; D507-R536 IonicContact OD1-CZ 4Å; D507-R536 VanDerWaalsContact OD1-CZ 3.23Å; D507-R536 IonicContact OD1-NE 3.61Å; D507-R536 PolarHBondContact OD1-NE 3.12Å; D507-R536 IonicContact OD1-NH2 2.67Å; D507-R536 PolarHBondContact OD1-NH2 3.07Å; D507-R536 IonicContact OD2-CZ 3.95Å; D507-R536 IonicContact OD2-NE 2.7Å; D507-R536 IonicContact OD2-NH2 2.8Å; D507-R536 PolarHBondContact OD2-NH2 2.77Å
508V71.7Confident78.5Confident96 Ų9631.5 Ų31.558%0.58218%0.179SC*.Hα-helixtrans-58.5-37.6-178.1-178.20000111.9T506T506-V508 VanDerWaalsContact C-N 3.29Å; T506-V508 PolarHBondContact O-N 3.33Å
509A68.1Low78.5Confident2 Ų230.7 Ų30.72%0.01717%0.165CC..Hα-helixtrans-86.1-29.9179.900000112.5L479 T506 D507 R511 I513L479-A509 HydrophobicContact CB-CB 4.46Å; L479-A509 HydrophobicContact CD2-CB 3.97Å; L479-A509 HydrophobicContact CG-CB 3.93Å; L479-A509 WeakPolarHBondContact O-CB 3.25Å; T506-A509 PolarHBondContact O-N 3.41Å; D507-A509 PolarHBondContact O-N 3.12Å; A509-R511 VanDerWaalsContact C-N 3.3Å; A509-I513 WeakPolarHBondContact O-CD1 3.43Å; A509-I513 WeakPolarHBondContact O-CG1 3.46Å
510G59.9Low78.5Confident4 Ų428.1 Ų28.14%0.04115%0.147CC..Hα-helixtrans-68.4-25.5175.400000114.3T506 D507 G512 I513T506-G510 PolarHBondContact O-N 3.16Å; D507-G510 PolarHBondContact O-N 2.89Å; D507-G510 VanDerWaalsContact O-N 3.16Å; G510-G512 PolarHBondContact O-N 2.55Å; G510-I513 PolarHBondContact O-N 3.02Å
511R67.7Low78.6Confident29 Ų2926.2 Ų26.211%0.10914%0.139CC..THydrogen-bonded Turntrans-68.4127.6176.3-75.1171.9176.8-137.8-0.5110T263 K339 D342 D507 A509 I513 D532T263-R511 HydrophobicContact CG2-CB 4.48Å; K339-R511 HydrophobicContact CD-CB 4.47Å; K339-R511 HydrophobicContact CD-CG 4.24Å; D342-R511 IonicContact OD2-CZ 3.39Å; D342-R511 IonicContact OD2-NH1 2.71Å; D342-R511 PolarHBondContact OD2-NH1 2.99Å; D342-R511 VanDerWaalsContact OD2-NH1 3.16Å; D342-R511 IonicContact OD2-NH2 3.38Å; D342-R511 PolarHBondContact OD2-NH2 3.37Å; D507-R511 VanDerWaalsContact O-CG 3.3Å; D507-R511 WeakPolarHBondContact O-CG 3.32Å; D507-R511 PolarHBondContact O-N 3.39Å; A509-R511 VanDerWaalsContact C-N 3.3Å; R511-I513 VanDerWaalsContact C-N 3.31Å; R511-I513 PolarHBondContact O-N 3.19Å; R511-D532 IonicContact CZ-OD1 3.25Å; R511-D532 IonicContact NE-OD1 2.72Å; R511-D532 IonicContact NH2-OD1 3.72Å; R511-D532 PolarHBondContact NH2-OD1 3.25Å
512G59.4Low78.8Confident3 Ų324.1 Ų24.13%0.03113%0.127CC..THydrogen-bonded Turntrans82.5-0.7178.800000114.8Q269 G510 D514Q269-G512 PolarHBondContact NE2-O 2.95Å; G510-G512 PolarHBondContact O-N 2.55Å; G512-D514 PolarHBondContact O-N 3.35Å
513I69.1Low78.9Confident7 Ų723.9 Ų23.94%0.03613%0.126CC..  trans-74.8122.2173.7-51.9177.9000110.4L479 L492 L503 A509 G510 R511 I515 R539L479-I513 HydrophobicContact CD2-CD1 3.3Å; L479-I513 HydrophobicContact CD2-CG1 4.14Å; L492-I513 HydrophobicContact CD2-CD1 4.33Å; L492-I513 HydrophobicContact CD2-CG2 3.48Å; L492-I513 VanDerWaalsContact CD2-CG2 3.48Å; L503-I513 HydrophobicContact CD2-CD1 4.04Å; A509-I513 WeakPolarHBondContact O-CD1 3.43Å; A509-I513 WeakPolarHBondContact O-CG1 3.46Å; G510-I513 PolarHBondContact O-N 3.02Å; R511-I513 VanDerWaalsContact C-N 3.31Å; R511-I513 PolarHBondContact O-N 3.19Å; I513-I515 HydrophobicContact CG2-CB 4.4Å; I513-I515 HydrophobicContact CG2-CD1 3.35Å; I513-I515 HydrophobicContact CG2-CG1 3.5Å; I513-I515 VanDerWaalsContact CG2-CG1 3.5Å; I513-R539 PolarHBondContact O-NH1 3.37Å
514D66.6Low79.1Confident47 Ų4725.4 Ų25.425%0.25113%0.132SC..  trans-96.384.5166.9-16942.7000110.8Q269 G512 R542Q269-D514 VanDerWaalsContact NE2-N 3.18Å; G512-D514 PolarHBondContact O-N 3.35Å; D514-R542 IonicContact OD1-NH1 3.68Å; D514-R542 PolarHBondContact OD1-NH1 3.25Å; D514-R542 VanDerWaalsContact OD1-NH1 3.1Å
515I69.4Low79.2Confident10 Ų1026.7 Ų26.75%0.05114%0.139CC..  trans-101.3117.5163.4-65.4151.1000106.1P451 I453 L492 L495 L503 I513 V518P451-I515 HydrophobicContact CG-CG2 4.3Å; I453-I515 HydrophobicContact CD1-CD1 4.06Å; L492-I515 HydrophobicContact CD2-CD1 4.17Å; L492-I515 HydrophobicContact CD2-CG1 4.42Å; L495-I515 HydrophobicContact CD2-CD1 3.36Å; L495-I515 HydrophobicContact CD2-CG1 3.84Å; L495-I515 HydrophobicContact CD2-CG2 4.01Å; L503-I515 HydrophobicContact CD2-CD1 3.43Å; L503-I515 VanDerWaalsContact CD2-CD1 3.43Å; I513-I515 HydrophobicContact CG2-CB 4.4Å; I513-I515 HydrophobicContact CG2-CD1 3.35Å; I513-I515 HydrophobicContact CG2-CG1 3.5Å; I513-I515 VanDerWaalsContact CG2-CG1 3.5Å; I515-V518 HydrophobicContact CB-CG2 4.21Å; I515-V518 HydrophobicContact CG2-CG2 3.66Å
516K63.8Low79.3Confident157 Ų15726.7 Ų26.768%0.68314%0.139SC*.  trans-72.4136177-63.7-178.1179.8179.50108.9V518K516-V518 PolarHBondContact O-N 3.01Å
517D65.4Low79.4Confident67 Ų6726.2 Ų26.236%0.35814%0.136SC..  trans54.753.4163.2-58.6-10.5000116.2S519 K545D517-S519 PolarHBondContact O-N 3.34Å; D517-K545 IonicContact OD2-NZ 3.97Å; D517-K545 PolarHBondContact OD2-NZ 3.49Å
518V81.7Confident79.7Confident2 Ų231.2 Ų31.21%0.01216%0.157CC..  trans-64.5125.4167.1-174.80000108.9P451 I453 I515 K516 L520 V521 T540P451-V518 VanDerWaalsContact O-CG1 3.28Å; P451-V518 WeakPolarHBondContact O-CG1 3.35Å; I453-V518 HydrophobicContact CB-CG1 4.32Å; I453-V518 HydrophobicContact CD1-CG1 4.36Å; I453-V518 HydrophobicContact CD1-CG2 3.65Å; I453-V518 HydrophobicContact CG1-CG1 3.84Å; I453-V518 HydrophobicContact CG1-CG2 3.89Å; I515-V518 HydrophobicContact CB-CG2 4.21Å; I515-V518 HydrophobicContact CG2-CG2 3.66Å; K516-V518 PolarHBondContact O-N 3.01Å; V518-L520 VanDerWaalsContact CG1-O 3.22Å; V518-L520 WeakPolarHBondContact CG1-O 3.22Å; V518-V521 HydrophobicContact CG1-CG2 4.41Å; V518-T540 WeakPolarHBondContact O-CB 3.49Å; V518-T540 PolarHBondContact O-OG1 3.05Å
519S85.3Confident80.5Confident34 Ų3429.3 Ų29.324%0.23815%0.145CC..SBendtrans-69.7-39.6-178.770.80000111.9E449 P451 D517 T540 K548E449-S519 WeakPolarHBondContact O-CB 3.4Å; E449-S519 PolarHBondContact O-OG 3.08Å; P451-S519 PolarHBondContact O-N 3.21Å; D517-S519 PolarHBondContact O-N 3.34Å; S519-T540 PolarHBondContact O-OG1 3.15Å; S519-K548 PolarHBondContact O-N 3.33Å
520L89.9Confident81.5Confident5 Ų530.2 Ų30.23%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-138.8128.8-173.7176.769.2000111I443 I448 I452 I453 V518 K548 I550I443-L520 HydrophobicContact CG2-CD2 4.46Å; I448-L520 HydrophobicContact CD1-CD2 3.36Å; I448-L520 HydrophobicContact CG1-CD2 4.31Å; I448-L520 HydrophobicContact CG2-CB 3.89Å; I448-L520 HydrophobicContact CG2-CD2 3.81Å; I452-L520 WeakPolarHBondContact CA-O 3.44Å; I452-L520 HydrophobicContact CB-CB 4.46Å; I452-L520 HydrophobicContact CG2-CB 3.98Å; I453-L520 PolarHBondContact N-O 3.21Å; I453-L520 VanDerWaalsContact N-O 3.11Å; V518-L520 VanDerWaalsContact CG1-O 3.22Å; V518-L520 WeakPolarHBondContact CG1-O 3.22Å; L520-K548 WeakPolarHBondContact CA-O 3.37Å; L520-K548 HydrophobicContact CD1-CB 3.97Å; L520-K548 HydrophobicContact CD1-CD 4.4Å; L520-K548 HydrophobicContact CD1-CG 3.91Å; L520-K548 WeakPolarHBondContact CD1-O 3.45Å; L520-I550 HydrophobicContact CD1-CB 4.38Å; L520-I550 HydrophobicContact CD1-CD1 3.79Å; L520-I550 HydrophobicContact CD1-CG1 3.81Å; L520-I550 HydrophobicContact CD2-CD1 4.18Å
521V92.2Very high82.5Confident0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-102.6122.6164.2177.20000108.7I453 F455 V518 R536 R539 T540 K548 A549 I550I453-V521 CarbonylContact O-C 3.58Å; I453-V521 WeakPolarHBondContact O-CA 3.33Å; F455-V521 HydrophobicContact CD2-CG1 3.79Å; F455-V521 HydrophobicContact CE2-CG1 3.93Å; V518-V521 HydrophobicContact CG1-CG2 4.41Å; V521-R536 HydrophobicContact CG1-CB 4.41Å; V521-R539 HydrophobicContact CG2-CB 3.94Å; V521-T540 HydrophobicContact CB-CG2 4.46Å; V521-T540 HydrophobicContact CG2-CG2 3.92Å; V521-K548 PolarHBondContact N-O 2.77Å; V521-A549 CarbonylContact O-C 3.59Å; V521-A549 WeakPolarHBondContact O-CA 3.23Å; V521-I550 PolarHBondContact O-N 3.07Å
522L95.4Very high83.3Confident1 Ų134.3 Ų34.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-112.9111.8176.6-170.2151.4000110L440 I443 I453 I454 F455 Y524 I550 F552L440-L522 HydrophobicContact CD1-CD1 3.53Å; L440-L522 HydrophobicContact CD1-CD2 3.83Å; L440-L522 HydrophobicContact CD1-CG 4.33Å; I443-L522 HydrophobicContact CD1-CD1 4.32Å; I443-L522 HydrophobicContact CG2-CD1 4.18Å; I453-L522 PolarHBondContact O-N 3.02Å; I454-L522 CarbonylContact C-O 3.49Å; I454-L522 VanDerWaalsContact CA-O 3.26Å; I454-L522 WeakPolarHBondContact CA-O 3.36Å; I454-L522 HydrophobicContact CG1-CB 4.3Å; I454-L522 HydrophobicContact CG2-CD2 3.99Å; F455-L522 PolarHBondContact N-O 3.49Å; L522-Y524 HydrophobicContact CD2-CD2 4.5Å; L522-Y524 PolarHBondContact O-N 3.49Å; L522-I550 CarbonylContact C-O 3.54Å; L522-I550 VanDerWaalsContact CA-O 3.31Å; L522-I550 WeakPolarHBondContact CA-O 3.45Å; L522-I550 HydrophobicContact CG-CB 4.36Å; L522-I550 HydrophobicContact CG-CG2 4.49Å; L522-F552 HydrophobicContact CD1-CZ 4.34Å; L522-F552 HydrophobicContact CD2-CE2 4.14Å; L522-F552 HydrophobicContact CD2-CZ 4.32Å
523N96.4Very high84.7Confident0 Ų034.2 Ų34.20%017%0.168CC..EExtended strand (participates in β ladder)trans-81.692.8170.7-61.3-63.6000108.7D525 Y533 R536 I550 T551 F552N523-D525 VanDerWaalsContact C-N 3.32Å; N523-Y533 WeakPolarHBondContact ND2-CE2 3.5Å; N523-R536 WeakPolarHBondContact OD1-CD 3.38Å; N523-R536 PolarHBondContact OD1-NH1 3.3Å; N523-I550 PolarHBondContact N-O 3.04Å; N523-T551 HydrophobicContact CB-CG2 3.94Å; N523-T551 PolarHBondContact ND2-OG1 3.23Å; N523-F552 PolarHBondContact O-N 2.99Å
524Y96.9Very high85.4Confident32 Ų3235 Ų3513%0.12517%0.174CC..SBendtrans-68.2-40.7176.8-176.6-85.7000109.9K436 R437 L440 F455 V456 L465 L522 F552K436-Y524 HydrophobicContact CB-CD2 4.46Å; K436-Y524 HydrophobicContact CB-CE1 4.08Å; K436-Y524 HydrophobicContact CB-CE2 3.72Å; K436-Y524 VanDerWaalsContact CB-CZ 3.49Å; K436-Y524 WeakPolarHBondContact CB-OH 3.48Å; K436-Y524 HydrophobicContact CD-CD1 4.19Å; K436-Y524 HydrophobicContact CD-CE1 3.82Å; K436-Y524 WeakPolarHBondContact CD-O 3.41Å; K436-Y524 WeakPolarHBondContact CE-O 3.37Å; K436-Y524 PolarHBondContact NZ-O 2.92Å; R437-Y524 PolarHBondContact N-OH 3.46Å; L440-Y524 HydrophobicContact CB-CD2 4.32Å; L440-Y524 HydrophobicContact CB-CE2 4.2Å; L440-Y524 HydrophobicContact CD2-CD2 3.87Å; L440-Y524 HydrophobicContact CD2-CE2 3.95Å; F455-Y524 WeakPolarHBondContact O-CB 3.47Å; F455-Y524 PolarHBondContact O-N 3.16Å; V456-Y524 HydrophobicContact CG1-CD1 4.07Å; V456-Y524 HydrophobicContact CG1-CG 4.32Å; L465-Y524 HydrophobicContact CD1-CD2 4.43Å; L465-Y524 HydrophobicContact CD1-CE2 4.05Å; L465-Y524 HydrophobicContact CD2-CD1 4.29Å; L465-Y524 HydrophobicContact CD2-CD2 3.99Å; L465-Y524 HydrophobicContact CD2-CE2 4.38Å; L465-Y524 HydrophobicContact CD2-CG 3.93Å; L522-Y524 HydrophobicContact CD2-CD2 4.5Å; L522-Y524 PolarHBondContact O-N 3.49Å; Y524-F552 HydrophobicContact CD2-CD2 4.08Å; Y524-F552 AromaticContact CD2-CE2 3.92Å; Y524-F552 HydrophobicContact CD2-CE2 3.92Å; Y524-F552 HydrophobicContact CE2-CE2 4.33Å; Y524-F552 HydrophobicContact CG-CD2 4.48Å
525D96.5Very high86Confident27 Ų2734.4 Ų34.414%0.14417%0.17CC..SBendtrans-111.3133.7163.3-59-39.5000109.2K436 F455 N457 N523 R536K436-D525 IonicContact NZ-OD1 2.71Å; K436-D525 PolarHBondContact NZ-OD1 3.19Å; F455-D525 PolarHBondContact O-N 2.79Å; N457-D525 HydrophobicContact CB-CB 4.12Å; N457-D525 PolarHBondContact N-OD2 3.28Å; N457-D525 WeakPolarHBondContact ND2-CB 3.49Å; N523-D525 VanDerWaalsContact C-N 3.32Å; D525-R536 PolarHBondContact O-NH1 3.06Å
526M95.2Very high86.8Confident0 Ų034.1 Ų34.10%017%0.168CC..  trans-63.2141.8173.2-179.555-169.800111N457 I530 Y533 T551 L553 D557 V560 L564N457-M526 PolarHBondContact ND2-O 3.04Å; N457-M526 PolarHBondContact OD1-O 3.08Å; M526-I530 HydrophobicContact CE-CD1 4.47Å; M526-Y533 HydrophobicContact CE-CD2 3.79Å; M526-Y533 HydrophobicContact CE-CG 3.8Å; M526-Y533 HydrophobicContact SD-CD2 3.75Å; M526-Y533 HydrophobicContact SD-CE2 4.3Å; M526-Y533 HydrophobicContact SD-CG 4.37Å; M526-T551 HydrophobicContact CB-CG2 4.48Å; M526-T551 HydrophobicContact SD-CG2 3.66Å; M526-L553 HydrophobicContact CB-CD2 3.8Å; M526-L553 HydrophobicContact CG-CD2 3.6Å; M526-L553 HydrophobicContact SD-CD2 4.1Å; M526-D557 HydrophobicContact CB-CB 4.01Å; M526-D557 HydrophobicContact CG-CB 4.2Å; M526-V560 HydrophobicContact CE-CB 4.1Å; M526-V560 HydrophobicContact CE-CG2 3.66Å; M526-V560 HydrophobicContact CG-CG2 3.58Å; M526-V560 HydrophobicContact SD-CG2 4.48Å; M526-L564 HydrophobicContact CE-CD2 4.07Å; M526-L564 HydrophobicContact SD-CD2 4.29Å
527A93Very high87.8Confident1 Ų126.7 Ų26.71%0.00814%0.135CC..  trans-62.6150.9175.900000110.9T529 D532A527-T529 VanDerWaalsContact C-N 3.3Å; A527-T529 WeakPolarHBondContact CB-O 3.22Å; A527-T529 PolarHBondContact O-N 2.65Å; A527-D532 HydrophobicContact CB-CB 3.78Å
528K90.7Very high88.4Confident131 Ų13124.2 Ų24.257%0.5713%0.126SC*.SBendtrans-75.7-20.1-178.8-64.3-54-177-1680113.6D557 V560K528-D557 IonicContact NZ-OD1 3.35Å; K528-V560 WeakPolarHBondContact O-CG1 3.36Å
529T88.1Confident88.3Confident56 Ų5624.9 Ų24.934%0.34413%0.128SC..SBendtrans-131.1157.917470.80000110A527 E531 D532 Y533A527-T529 VanDerWaalsContact C-N 3.3Å; A527-T529 WeakPolarHBondContact CB-O 3.22Å; A527-T529 PolarHBondContact O-N 2.65Å; T529-E531 VanDerWaalsContact C-N 3.28Å; T529-E531 VanDerWaalsContact CB-OE2 3.24Å; T529-E531 WeakPolarHBondContact CB-OE2 3.46Å; T529-E531 PolarHBondContact O-N 3.5Å; T529-E531 PolarHBondContact OG1-OE2 3.49Å; T529-D532 PolarHBondContact O-N 2.96Å; T529-D532 PolarHBondContact OG1-N 3.22Å; T529-Y533 PolarHBondContact O-N 2.84Å
530I88.4Confident87.8Confident21 Ų2123.5 Ų23.511%0.10812%0.118CC..Hα-helixtrans-71.8-27.1-179.9-161.964.8000111.8M526 Y533 T534 E563 L564 L567M526-I530 HydrophobicContact CE-CD1 4.47Å; I530-Y533 HydrophobicContact CD1-CD1 3.84Å; I530-Y533 HydrophobicContact CD1-CG 4.35Å; I530-Y533 WeakPolarHBondContact O-CB 3.33Å; I530-Y533 PolarHBondContact O-N 3.34Å; I530-T534 WeakPolarHBondContact O-CG2 3.38Å; I530-T534 PolarHBondContact O-N 2.94Å; I530-T534 PolarHBondContact O-OG1 3.34Å; I530-E563 HydrophobicContact CB-CB 4.02Å; I530-E563 HydrophobicContact CD1-CB 4.19Å; I530-E563 HydrophobicContact CG1-CB 3.97Å; I530-E563 HydrophobicContact CG2-CB 4.32Å; I530-L564 HydrophobicContact CD1-CB 4.16Å; I530-L564 HydrophobicContact CD1-CD1 4.46Å; I530-L567 HydrophobicContact CD1-CD1 3.72Å; I530-L567 HydrophobicContact CG1-CD1 3.78Å
531E81.8Confident86.5Confident94 Ų9424 Ų2444%0.43912%0.124SC..Hα-helixtrans-67.4-40.5176.2-59.879.5-173.100111.6T529 Y533 T534 H535T529-E531 VanDerWaalsContact C-N 3.28Å; T529-E531 VanDerWaalsContact CB-OE2 3.24Å; T529-E531 WeakPolarHBondContact CB-OE2 3.46Å; T529-E531 PolarHBondContact O-N 3.5Å; T529-E531 PolarHBondContact OG1-OE2 3.49Å; E531-Y533 VanDerWaalsContact C-N 3.31Å; E531-T534 WeakPolarHBondContact CA-OG1 3.15Å; E531-T534 PolarHBondContact O-N 2.94Å; E531-T534 PolarHBondContact O-OG1 3.45Å; E531-H535 PolarHBondContact O-N 3.28Å; E531-H535 PolarHBondContact O-ND1 3.03Å
532D84.7Confident85.2Confident26 Ų2625.5 Ų25.514%0.13913%0.13CC..Hα-helixtrans-65.7-39.2173.2-82.1-23.8000110.8R511 A527 T529 H535 R536R511-D532 IonicContact CZ-OD1 3.25Å; R511-D532 IonicContact NE-OD1 2.72Å; R511-D532 IonicContact NH2-OD1 3.72Å; R511-D532 PolarHBondContact NH2-OD1 3.25Å; A527-D532 HydrophobicContact CB-CB 3.78Å; T529-D532 PolarHBondContact O-N 2.96Å; T529-D532 PolarHBondContact OG1-N 3.22Å; D532-H535 PolarHBondContact O-N 3.34Å; D532-R536 VanDerWaalsContact O-CG 3.27Å; D532-R536 WeakPolarHBondContact O-CG 3.37Å; D532-R536 PolarHBondContact O-N 3.47Å
533Y89Confident83.3Confident0 Ų030.5 Ų30.50%017%0.171CC..Hα-helixtrans-59.8-48.1174.5173.3-100.7000112.4Q426 N523 M526 T529 I530 E531 H535 R536 I537 T551 L564 L567Q426-Y533 PolarHBondContact OE1-OH 3.35Å; N523-Y533 WeakPolarHBondContact ND2-CE2 3.5Å; M526-Y533 HydrophobicContact CE-CD2 3.79Å; M526-Y533 HydrophobicContact CE-CG 3.8Å; M526-Y533 HydrophobicContact SD-CD2 3.75Å; M526-Y533 HydrophobicContact SD-CE2 4.3Å; M526-Y533 HydrophobicContact SD-CG 4.37Å; T529-Y533 PolarHBondContact O-N 2.84Å; I530-Y533 HydrophobicContact CD1-CD1 3.84Å; I530-Y533 HydrophobicContact CD1-CG 4.35Å; I530-Y533 WeakPolarHBondContact O-CB 3.33Å; I530-Y533 PolarHBondContact O-N 3.34Å; E531-Y533 VanDerWaalsContact C-N 3.31Å; Y533-H535 VanDerWaalsContact C-N 3.3Å; Y533-H535 PolarHBondContact O-N 2.84Å; Y533-R536 WeakPolarHBondContact O-CB 3.33Å; Y533-R536 PolarHBondContact O-N 3.33Å; Y533-R536 VanDerWaalsContact O-N 3.16Å; Y533-I537 HydrophobicContact CD1-CD1 4.38Å; Y533-I537 HydrophobicContact CD2-CG2 4.24Å; Y533-I537 HydrophobicContact CE1-CD1 3.8Å; Y533-I537 HydrophobicContact CE1-CG2 4.28Å; Y533-I537 HydrophobicContact CE2-CG2 3.73Å; Y533-I537 PolarHBondContact O-N 2.75Å; Y533-T551 HydrophobicContact CE2-CG2 4.39Å; Y533-T551 WeakPolarHBondContact CE2-OG1 3.27Å; Y533-L564 HydrophobicContact CD1-CD1 4.11Å; Y533-L564 HydrophobicContact CE1-CD1 3.52Å; Y533-L564 HydrophobicContact CE2-CD1 4.22Å; Y533-L567 HydrophobicContact CD1-CD1 3.83Å; Y533-L567 HydrophobicContact CE1-CD1 3.86Å; Y533-L567 HydrophobicContact CE1-CD2 3.98Å
534T82.8Confident81.4Confident25 Ų2533.5 Ų33.515%0.15320%0.202CC..Hα-helixtrans-61.4-39.2177.853.60000111.5I530 E531 I537 G538 L567I530-T534 WeakPolarHBondContact O-CG2 3.38Å; I530-T534 PolarHBondContact O-N 2.94Å; I530-T534 PolarHBondContact O-OG1 3.34Å; E531-T534 WeakPolarHBondContact CA-OG1 3.15Å; E531-T534 PolarHBondContact O-N 2.94Å; E531-T534 PolarHBondContact O-OG1 3.45Å; T534-I537 WeakPolarHBondContact O-CG1 3.34Å; T534-G538 PolarHBondContact O-N 2.65Å; T534-L567 HydrophobicContact CG2-CD1 3.63Å
535H79.1Confident79.8Confident34 Ų3437.7 Ų37.716%0.15722%0.221CC..Hα-helixtrans-65.4-35.7174.7-68.9154.2000113.9E531 D532 Y533E531-H535 PolarHBondContact O-N 3.28Å; E531-H535 PolarHBondContact O-ND1 3.03Å; D532-H535 PolarHBondContact O-N 3.34Å; Y533-H535 VanDerWaalsContact C-N 3.3Å; Y533-H535 PolarHBondContact O-N 2.84Å
536R86.5Confident78.6Confident4 Ų441.7 Ų41.72%0.01525%0.251CS..Hα-helixtrans-66.8-51.7175.6-71.9179.1-172.8-172.53110.8F455 N457 D507 V521 N523 D525 D532 Y533 G538 R539F455-R536 HydrophobicContact CB-CG 4.48Å; F455-R536 HydrophobicContact CD1-CG 3.95Å; F455-R536 HydrophobicContact CD2-CB 3.78Å; F455-R536 HydrophobicContact CD2-CG 3.64Å; F455-R536 HydrophobicContact CE1-CG 4.01Å; F455-R536 HydrophobicContact CE2-CB 3.71Å; F455-R536 HydrophobicContact CE2-CG 3.7Å; F455-R536 HydrophobicContact CG-CB 4.4Å; F455-R536 HydrophobicContact CG-CG 3.77Å; F455-R536 HydrophobicContact CZ-CB 4.29Å; F455-R536 HydrophobicContact CZ-CG 3.89Å; N457-R536 PolarHBondContact OD1-NH2 3.21Å; D507-R536 IonicContact OD1-CZ 4Å; D507-R536 VanDerWaalsContact OD1-CZ 3.23Å; D507-R536 IonicContact OD1-NE 3.61Å; D507-R536 PolarHBondContact OD1-NE 3.12Å; D507-R536 IonicContact OD1-NH2 2.67Å; D507-R536 PolarHBondContact OD1-NH2 3.07Å; D507-R536 IonicContact OD2-CZ 3.95Å; D507-R536 IonicContact OD2-NE 2.7Å; D507-R536 IonicContact OD2-NH2 2.8Å; D507-R536 PolarHBondContact OD2-NH2 2.77Å; V521-R536 HydrophobicContact CG1-CB 4.41Å; N523-R536 WeakPolarHBondContact OD1-CD 3.38Å; N523-R536 PolarHBondContact OD1-NH1 3.3Å; D525-R536 PolarHBondContact O-NH1 3.06Å; D532-R536 VanDerWaalsContact O-CG 3.27Å; D532-R536 WeakPolarHBondContact O-CG 3.37Å; D532-R536 PolarHBondContact O-N 3.47Å; Y533-R536 WeakPolarHBondContact O-CB 3.33Å; Y533-R536 PolarHBondContact O-N 3.33Å; Y533-R536 VanDerWaalsContact O-N 3.16Å; R536-G538 VanDerWaalsContact C-N 3.28Å; R536-G538 PolarHBondContact O-N 2.92Å; R536-R539 VanDerWaalsContact O-CB 3.27Å; R536-R539 WeakPolarHBondContact O-CB 3.34Å; R536-R539 WeakPolarHBondContact O-CG 3.45Å; R536-R539 PolarHBondContact O-N 3.3Å; R536-R539 VanDerWaalsContact O-N 3.1Å
537I85.6Confident77.8Confident0 Ų041.9 Ų41.90%025%0.253CS..Hα-helixtrans-69.1-27.6-177.969.4173.4000112.2T421 V424 Q426 Y533 T534 R539 T540 A549T421-I537 HydrophobicContact CG2-CD1 4.23Å; V424-I537 HydrophobicContact CG1-CB 4.29Å; Q426-I537 HydrophobicContact CG-CD1 4.28Å; Y533-I537 HydrophobicContact CD1-CD1 4.38Å; Y533-I537 HydrophobicContact CD2-CG2 4.24Å; Y533-I537 HydrophobicContact CE1-CD1 3.8Å; Y533-I537 HydrophobicContact CE1-CG2 4.28Å; Y533-I537 HydrophobicContact CE2-CG2 3.73Å; Y533-I537 PolarHBondContact O-N 2.75Å; T534-I537 WeakPolarHBondContact O-CG1 3.34Å; I537-R539 PolarHBondContact O-N 2.92Å; I537-R539 VanDerWaalsContact O-N 3.07Å; I537-T540 WeakPolarHBondContact O-CG2 3.49Å; I537-T540 PolarHBondContact O-N 2.98Å; I537-A549 HydrophobicContact CB-CB 3.92Å; I537-A549 HydrophobicContact CG2-CB 3.44Å; I537-A549 VanDerWaalsContact CG2-CB 3.44Å
538G78.1Confident77.6Confident15 Ų1545.3 Ų45.316%0.15527%0.268CS..THydrogen-bonded Turntrans-67.30.1171.400000114.9T534 R536 T540 R542T534-G538 PolarHBondContact O-N 2.65Å; R536-G538 VanDerWaalsContact C-N 3.28Å; R536-G538 PolarHBondContact O-N 2.92Å; G538-T540 VanDerWaalsContact C-N 3.29Å; G538-R542 PolarHBondContact O-NE 3.49Å
539R77.8Confident77.7Confident17 Ų1739 Ų396%0.06424%0.24CC..THydrogen-bonded Turntrans-75.5-20.4167.4-58.9-69153.8-171.8-9.5112.2I453 F455 I513 V521 R536 I537I453-R539 HydrophobicContact CD1-CB 4.24Å; I453-R539 HydrophobicContact CD1-CG 4.48Å; F455-R539 HydrophobicContact CE2-CG 4.45Å; F455-R539 HydrophobicContact CZ-CG 4.41Å; I513-R539 PolarHBondContact O-NH1 3.37Å; V521-R539 HydrophobicContact CG2-CB 3.94Å; R536-R539 VanDerWaalsContact O-CB 3.27Å; R536-R539 WeakPolarHBondContact O-CB 3.34Å; R536-R539 WeakPolarHBondContact O-CG 3.45Å; R536-R539 PolarHBondContact O-N 3.3Å; R536-R539 VanDerWaalsContact O-N 3.1Å; I537-R539 PolarHBondContact O-N 2.92Å; I537-R539 VanDerWaalsContact O-N 3.07Å
540T76.7Confident78.1Confident5 Ų536.9 Ų36.93%0.03123%0.227CC..SBendtrans-105.8166168.8-170.80000110.4V424 V518 S519 V521 I537 G538 G547V424-T540 HydrophobicContact CG1-CG2 3.72Å; V424-T540 HydrophobicContact CG2-CG2 4.01Å; V518-T540 WeakPolarHBondContact O-CB 3.49Å; V518-T540 PolarHBondContact O-OG1 3.05Å; S519-T540 PolarHBondContact O-OG1 3.15Å; V521-T540 HydrophobicContact CB-CG2 4.46Å; V521-T540 HydrophobicContact CG2-CG2 3.92Å; I537-T540 WeakPolarHBondContact O-CG2 3.49Å; I537-T540 PolarHBondContact O-N 2.98Å; G538-T540 VanDerWaalsContact C-N 3.29Å; T540-G547 WeakPolarHBondContact OG1-CA 3.35Å
541G62.3Low78.4Confident14 Ų1435.9 Ų35.914%0.14422%0.221CC..SBendtrans7522.8175.300000116.1K545G541-K545 CarbonylContact C-O 3.57Å; G541-K545 WeakPolarHBondContact CA-O 3.48Å
542R64.2Low79.2Confident33 Ų3331.4 Ų31.413%0.12520%0.2CC..G310 helixtrans-75154.3176.7-65.3-176.9177.4-167.6-2.9111.4T223 D514 G538 G544 K545T223-R542 PolarHBondContact OG1-NH2 3.17Å; D514-R542 IonicContact OD1-NH1 3.68Å; D514-R542 PolarHBondContact OD1-NH1 3.25Å; D514-R542 VanDerWaalsContact OD1-NH1 3.1Å; G538-R542 PolarHBondContact O-NE 3.49Å; R542-G544 PolarHBondContact O-N 3.29Å; R542-K545 PolarHBondContact O-N 3.47Å
543A55.1Low79.7Confident106 Ų10630.1 Ų30.188%0.87619%0.194SC*.G310 helixtrans53.327.3172.400000116.6
544G56.7Low80Confident62 Ų6230.3 Ų30.364%0.63920%0.195SC*.G310 helixtrans96.3-2.8173.700000115.6R542R542-G544 PolarHBondContact O-N 3.29Å
545K63.9Low80.4Confident121 Ų12136.9 Ų36.953%0.52622%0.221SC..  trans-73.7146.9168.6-67.7178.5177.3174.60110D517 G541 R542D517-K545 IonicContact OD2-NZ 3.97Å; D517-K545 PolarHBondContact OD2-NZ 3.49Å; G541-K545 CarbonylContact C-O 3.57Å; G541-K545 WeakPolarHBondContact CA-O 3.48Å; R542-K545 PolarHBondContact O-N 3.47Å
546S71.3Confident81.1Confident110 Ų11039.9 Ų39.977%0.76924%0.235SC*.  trans-76.5135.8166.653.90000109.2R423R423-S546 WeakPolarHBondContact O-CA 3.32Å
547G78.3Confident81.4Confident5 Ų540.1 Ų40.15%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-104.5159.417600000111.6R423 V424 E425 T540R423-G547 PolarHBondContact O-N 3.37Å; V424-G547 CarbonylContact C-O 3.52Å; V424-G547 WeakPolarHBondContact CA-O 3.47Å; E425-G547 PolarHBondContact N-O 2.9Å; T540-G547 WeakPolarHBondContact OG1-CA 3.35Å
548K89.1Confident81.7Confident72 Ų7242.1 Ų42.131%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-118.1136.2168.2-167.3167.7-169.3120.90110.8E425 S519 L520 V521E425-K548 CarbonylContact O-C 3.6Å; E425-K548 WeakPolarHBondContact O-CA 3.33Å; E425-K548 IonicContact OE1-NZ 3.1Å; E425-K548 PolarHBondContact OE1-NZ 3.45Å; E425-K548 IonicContact OE2-NZ 3.92Å; E425-K548 PolarHBondContact OE2-NZ 3.43Å; S519-K548 PolarHBondContact O-N 3.33Å; L520-K548 WeakPolarHBondContact CA-O 3.37Å; L520-K548 HydrophobicContact CD1-CB 3.97Å; L520-K548 HydrophobicContact CD1-CD 4.4Å; L520-K548 HydrophobicContact CD1-CG 3.91Å; L520-K548 WeakPolarHBondContact CD1-O 3.45Å; V521-K548 PolarHBondContact N-O 2.77Å
549A92.4Very high82.3Confident0 Ų044.4 Ų44.40%027%0.268CS..EExtended strand (participates in β ladder)trans-125124.5173.100000110.3V424 E425 Q426 V427 V521 I537V424-A549 HydrophobicContact CG1-CB 3.71Å; E425-A549 PolarHBondContact O-N 3.36Å; Q426-A549 CarbonylContact C-O 3.49Å; Q426-A549 WeakPolarHBondContact CA-O 3.39Å; Q426-A549 HydrophobicContact CG-CB 4.33Å; V427-A549 PolarHBondContact N-O 3.36Å; V521-A549 CarbonylContact O-C 3.59Å; V521-A549 WeakPolarHBondContact O-CA 3.23Å; I537-A549 HydrophobicContact CB-CB 3.92Å; I537-A549 HydrophobicContact CG2-CB 3.44Å; I537-A549 VanDerWaalsContact CG2-CB 3.44Å
550I95.2Very high83.1Confident10 Ų1043.9 Ų43.95%0.05127%0.267CS..EExtended strand (participates in β ladder)trans-109.8132.2174.2-64.5169.9000109.1V427 Y429 I443 L520 V521 L522 N523 F552V427-I550 HydrophobicContact CB-CG1 4.24Å; V427-I550 CarbonylContact O-C 3.58Å; V427-I550 VanDerWaalsContact O-CA 3.31Å; V427-I550 WeakPolarHBondContact O-CA 3.48Å; Y429-I550 HydrophobicContact CD2-CG2 3.81Å; Y429-I550 HydrophobicContact CE2-CG2 3.8Å; I443-I550 HydrophobicContact CD1-CD1 4.27Å; I443-I550 HydrophobicContact CD1-CG2 4.03Å; I443-I550 HydrophobicContact CG2-CD1 3.86Å; L520-I550 HydrophobicContact CD1-CB 4.38Å; L520-I550 HydrophobicContact CD1-CD1 3.79Å; L520-I550 HydrophobicContact CD1-CG1 3.81Å; L520-I550 HydrophobicContact CD2-CD1 4.18Å; V521-I550 PolarHBondContact O-N 3.07Å; L522-I550 CarbonylContact C-O 3.54Å; L522-I550 VanDerWaalsContact CA-O 3.31Å; L522-I550 WeakPolarHBondContact CA-O 3.45Å; L522-I550 HydrophobicContact CG-CB 4.36Å; L522-I550 HydrophobicContact CG-CG2 4.49Å; N523-I550 PolarHBondContact N-O 3.04Å; I550-F552 HydrophobicContact CG2-CD1 4.37Å; I550-F552 HydrophobicContact CG2-CE1 3.94Å
551T96.6Very high83.9Confident0 Ų043.7 Ų43.70%027%0.266CS..EExtended strand (participates in β ladder)trans-128129.8-177.9-57.30000111.3V427 V428 Y429 N523 M526 Y533 L553V427-T551 PolarHBondContact O-N 3Å; V428-T551 WeakPolarHBondContact CA-O 3.35Å; Y429-T551 PolarHBondContact N-O 3.49Å; N523-T551 HydrophobicContact CB-CG2 3.94Å; N523-T551 PolarHBondContact ND2-OG1 3.23Å; M526-T551 HydrophobicContact CB-CG2 4.48Å; M526-T551 HydrophobicContact SD-CG2 3.66Å; Y533-T551 HydrophobicContact CE2-CG2 4.39Å; Y533-T551 WeakPolarHBondContact CE2-OG1 3.27Å; T551-L553 HydrophobicContact CG2-CD2 4.12Å; T551-L553 HydrophobicContact CG2-CG 4.35Å
552F97.3Very high85.3Confident0 Ų045.3 Ų45.30%027%0.268CS..EExtended strand (participates in β ladder)trans-92.5122.3169.2-58.2-20000109.2Y429 M431 K436 R439 L440 I443 L522 N523 Y524 I550Y429-F552 HydrophobicContact CD2-CD1 4.24Å; Y429-F552 HydrophobicContact CD2-CE1 4.04Å; M431-F552 HydrophobicContact CE-CB 4.13Å; M431-F552 HydrophobicContact CE-CD1 3.4Å; M431-F552 HydrophobicContact CE-CD2 4.49Å; M431-F552 HydrophobicContact CE-CE1 3.87Å; M431-F552 HydrophobicContact CE-CG 3.76Å; M431-F552 HydrophobicContact SD-CB 4.09Å; M431-F552 HydrophobicContact SD-CD1 4.12Å; M431-F552 HydrophobicContact SD-CD2 4.18Å; M431-F552 HydrophobicContact SD-CG 3.87Å; K436-F552 HydrophobicContact CB-CD2 3.93Å; K436-F552 HydrophobicContact CB-CE2 4.35Å; K436-F552 HydrophobicContact CD-CD2 4.42Å; K436-F552 HydrophobicContact CG-CB 4.16Å; K436-F552 HydrophobicContact CG-CD2 3.84Å; K436-F552 HydrophobicContact CG-CG 4.37Å; K436-F552 WeakPolarHBondContact O-CE2 3.37Å; R439-F552 HydrophobicContact CB-CE1 4.37Å; R439-F552 HydrophobicContact CB-CZ 4.01Å; R439-F552 HydrophobicContact CG-CE1 3.76Å; R439-F552 HydrophobicContact CG-CZ 3.83Å; L440-F552 HydrophobicContact CB-CE2 4.13Å; L440-F552 HydrophobicContact CB-CZ 4.37Å; I443-F552 HydrophobicContact CD1-CE1 3.74Å; I443-F552 HydrophobicContact CD1-CZ 3.79Å; L522-F552 HydrophobicContact CD1-CZ 4.34Å; L522-F552 HydrophobicContact CD2-CE2 4.14Å; L522-F552 HydrophobicContact CD2-CZ 4.32Å; N523-F552 PolarHBondContact O-N 2.99Å; Y524-F552 HydrophobicContact CD2-CD2 4.08Å; Y524-F552 AromaticContact CD2-CE2 3.92Å; Y524-F552 HydrophobicContact CD2-CE2 3.92Å; Y524-F552 HydrophobicContact CE2-CE2 4.33Å; Y524-F552 HydrophobicContact CG-CD2 4.48Å; I550-F552 HydrophobicContact CG2-CD1 4.37Å; I550-F552 HydrophobicContact CG2-CE1 3.94Å
553L95.9Very high86.6Confident0 Ų047.3 Ų47.30%028%0.278CS..EExtended strand (participates in β ladder)trans-107.8138.6175-71.9-177.3000110.4V428 Y429 M430 M431 M526 T551 D557 F561 L564 L580V428-L553 HydrophobicContact CG1-CB 4.38Å; V428-L553 HydrophobicContact CG1-CD1 3.33Å; V428-L553 HydrophobicContact CG1-CG 3.68Å; Y429-L553 PolarHBondContact O-N 2.95Å; M430-L553 WeakPolarHBondContact CA-O 3.36Å; M430-L553 HydrophobicContact CG-CB 4.47Å; M430-L553 HydrophobicContact SD-CB 3.53Å; M430-L553 VanDerWaalsContact SD-CB 3.53Å; M430-L553 HydrophobicContact SD-CD1 3.74Å; M430-L553 HydrophobicContact SD-CG 4.32Å; M431-L553 PolarHBondContact N-O 3.19Å; M526-L553 HydrophobicContact CB-CD2 3.8Å; M526-L553 HydrophobicContact CG-CD2 3.6Å; M526-L553 HydrophobicContact SD-CD2 4.1Å; T551-L553 HydrophobicContact CG2-CD2 4.12Å; T551-L553 HydrophobicContact CG2-CG 4.35Å; L553-D557 HydrophobicContact CD2-CB 4.23Å; L553-F561 HydrophobicContact CB-CE1 4.08Å; L553-F561 HydrophobicContact CB-CZ 4.4Å; L553-F561 HydrophobicContact CD1-CD1 4.16Å; L553-F561 HydrophobicContact CD1-CE1 3.89Å; L553-F561 HydrophobicContact CD2-CD1 4.42Å; L553-F561 HydrophobicContact CD2-CE1 4.01Å; L553-F561 HydrophobicContact CG-CE1 4.23Å; L553-L564 HydrophobicContact CD1-CD2 3.66Å; L553-L564 HydrophobicContact CD2-CD2 3.77Å; L553-L564 HydrophobicContact CG-CD2 4.12Å; L553-L580 HydrophobicContact CD1-CD1 3.92Å; L553-L580 HydrophobicContact CD1-CD2 3.98Å; L553-L580 HydrophobicContact CD1-CG 4.48Å
554T94.8Very high88.4Confident3 Ų342.2 Ų42.22%0.01824%0.237CC..  trans-124.4171174.966.50000110.4E433 E556 D557 F561E433-T554 HydrophobicContact CG-CG2 4.15Å; E433-T554 WeakPolarHBondContact OE1-CG2 3.47Å; E433-T554 PolarHBondContact OE1-OG1 3.06Å; T554-E556 VanDerWaalsContact CB-OE2 3.24Å; T554-E556 WeakPolarHBondContact CB-OE2 3.21Å; T554-E556 PolarHBondContact O-N 3.28Å; T554-E556 PolarHBondContact OG1-N 2.81Å; T554-E556 PolarHBondContact OG1-OE2 2.93Å; T554-E556 VanDerWaalsContact OG1-OE2 3.11Å; T554-D557 PolarHBondContact N-OD2 3.32Å; T554-D557 PolarHBondContact O-N 3.07Å; T554-D557 PolarHBondContact OG1-OD2 3.5Å; T554-F561 VanDerWaalsContact O-CZ 3.27Å; T554-F561 WeakPolarHBondContact O-CZ 3.45Å
555K92.2Very high90.1Very high163 Ų16340.4 Ų40.471%0.70921%0.211SC*.G310 helixtrans-62.5-25176.262-178.5-178.4-176.50112.3D557 S558K555-D557 PolarHBondContact O-N 2.92Å; K555-S558 PolarHBondContact O-N 3.35Å; K555-S558 PolarHBondContact O-OG 2.98Å
556E92.2Very high91.3Very high98 Ų9837.8 Ų37.846%0.45820%0.201SC..G310 helixtrans-69.3-16.2176.2-66.873.6-164.600112.7T554T554-E556 VanDerWaalsContact CB-OE2 3.24Å; T554-E556 WeakPolarHBondContact CB-OE2 3.21Å; T554-E556 PolarHBondContact O-N 3.28Å; T554-E556 PolarHBondContact OG1-N 2.81Å; T554-E556 PolarHBondContact OG1-OE2 2.93Å; T554-E556 VanDerWaalsContact OG1-OE2 3.11Å
557D93.2Very high92Very high9 Ų933.2 Ų33.25%0.04817%0.168CC..G310 helixtrans-100.711.9-178.5-51.5-53.9000112.6M526 K528 L553 T554 K555 A559 V560 F561M526-D557 HydrophobicContact CB-CB 4.01Å; M526-D557 HydrophobicContact CG-CB 4.2Å; K528-D557 IonicContact NZ-OD1 3.35Å; L553-D557 HydrophobicContact CD2-CB 4.23Å; T554-D557 PolarHBondContact N-OD2 3.32Å; T554-D557 PolarHBondContact O-N 3.07Å; T554-D557 PolarHBondContact OG1-OD2 3.5Å; K555-D557 PolarHBondContact O-N 2.92Å; D557-A559 PolarHBondContact O-N 3.45Å; D557-V560 HydrophobicContact CB-CG2 4.25Å; D557-V560 WeakPolarHBondContact O-CG2 3.29Å; D557-V560 PolarHBondContact O-N 2.93Å; D557-F561 HydrophobicContact CB-CE1 3.99Å; D557-F561 WeakPolarHBondContact O-CD1 3.43Å; D557-F561 WeakPolarHBondContact O-CE1 3.32Å
558S91.7Very high92.5Very high41 Ų4133 Ų3329%0.28717%0.166SC..G310 helixtrans-53.8-30.6-176.556.80000114K555 V560 F561 D585K555-S558 PolarHBondContact O-N 3.35Å; K555-S558 PolarHBondContact O-OG 2.98Å; S558-V560 PolarHBondContact O-N 2.92Å; S558-F561 WeakPolarHBondContact O-CB 3.31Å; S558-F561 PolarHBondContact O-N 3.42Å; S558-D585 WeakPolarHBondContact CB-OD2 3.44Å
559A91.9Very high92.4Very high63 Ų6334.3 Ų34.352%0.52118%0.175SC..G310 helixtrans-63.3-22178.100000114.1D557 P590D557-A559 PolarHBondContact O-N 3.45Å; A559-P590 WeakPolarHBondContact O-CG 3.44Å
560V93.1Very high92Very high7 Ų739 Ų394%0.04220%0.196CC..G310 helixtrans-104.8-1.3179-65.90000113.1M526 K528 D557 S558 Y562 E563 L564M526-V560 HydrophobicContact CE-CB 4.1Å; M526-V560 HydrophobicContact CE-CG2 3.66Å; M526-V560 HydrophobicContact CG-CG2 3.58Å; M526-V560 HydrophobicContact SD-CG2 4.48Å; K528-V560 WeakPolarHBondContact O-CG1 3.36Å; D557-V560 HydrophobicContact CB-CG2 4.25Å; D557-V560 WeakPolarHBondContact O-CG2 3.29Å; D557-V560 PolarHBondContact O-N 2.93Å; S558-V560 PolarHBondContact O-N 2.92Å; V560-Y562 PolarHBondContact O-N 2.87Å; V560-E563 PolarHBondContact O-N 2.93Å; V560-L564 VanDerWaalsContact O-CB 3.29Å; V560-L564 WeakPolarHBondContact O-CB 3.43Å; V560-L564 PolarHBondContact O-N 2.93Å
561F93.9Very high91.4Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-61.3-42.4-172.7-8114.5000113.5M430 L553 T554 D557 S558 K565 L580 H583 D585 A586M430-F561 HydrophobicContact CE-CD2 4.41Å; M430-F561 HydrophobicContact CE-CE2 3.57Å; M430-F561 HydrophobicContact CE-CZ 3.82Å; M430-F561 HydrophobicContact SD-CE1 4.41Å; M430-F561 HydrophobicContact SD-CE2 4.13Å; M430-F561 HydrophobicContact SD-CZ 3.78Å; L553-F561 HydrophobicContact CB-CE1 4.08Å; L553-F561 HydrophobicContact CB-CZ 4.4Å; L553-F561 HydrophobicContact CD1-CD1 4.16Å; L553-F561 HydrophobicContact CD1-CE1 3.89Å; L553-F561 HydrophobicContact CD2-CD1 4.42Å; L553-F561 HydrophobicContact CD2-CE1 4.01Å; L553-F561 HydrophobicContact CG-CE1 4.23Å; T554-F561 VanDerWaalsContact O-CZ 3.27Å; T554-F561 WeakPolarHBondContact O-CZ 3.45Å; D557-F561 HydrophobicContact CB-CE1 3.99Å; D557-F561 WeakPolarHBondContact O-CD1 3.43Å; D557-F561 WeakPolarHBondContact O-CE1 3.32Å; S558-F561 WeakPolarHBondContact O-CB 3.31Å; S558-F561 PolarHBondContact O-N 3.42Å; F561-K565 WeakPolarHBondContact O-CB 3.32Å; F561-K565 PolarHBondContact O-N 3.41Å; F561-L580 HydrophobicContact CB-CD1 3.85Å; F561-L580 HydrophobicContact CD1-CD1 4.13Å; F561-L580 HydrophobicContact CD2-CD1 3.9Å; F561-L580 HydrophobicContact CE2-CD1 4.49Å; F561-L580 HydrophobicContact CG-CD1 3.7Å; F561-H583 HydrophobicContact CD2-CB 4.31Å; F561-H583 AromaticContact CD2-CE1 3.96Å; F561-H583 AromaticContact CD2-CG 3.84Å; F561-H583 AromaticContact CD2-ND1 3.45Å; F561-H583 WeakPolarHBondContact CD2-ND1 3.25Å; F561-H583 AromaticContact CE2-CE1 3.58Å; F561-H583 AromaticContact CE2-CG 3.83Å; F561-H583 AromaticContact CE2-ND1 3.53Å; F561-H583 AromaticContact CE2-NE2 3.92Å; F561-D585 HydrophobicContact CD2-CB 4.11Å; F561-A586 HydrophobicContact CB-CB 3.93Å
562Y92.8Very high90.5Very high48 Ų4843.7 Ų43.719%0.18823%0.228CC..Hα-helixtrans-63.2-48179.7177.6-88.3000111.6V560 K565 Q566 A586 Q588 K589V560-Y562 PolarHBondContact O-N 2.87Å; Y562-K565 WeakPolarHBondContact O-CB 3.34Å; Y562-K565 PolarHBondContact O-N 2.88Å; Y562-Q566 HydrophobicContact CD1-CG 4.31Å; Y562-Q566 HydrophobicContact CE1-CG 3.86Å; Y562-Q566 WeakPolarHBondContact O-CG 3.49Å; Y562-Q566 PolarHBondContact O-N 3.45Å; Y562-A586 WeakPolarHBondContact CD2-O 3.44Å; Y562-Q588 VanDerWaalsContact CB-O 3.26Å; Y562-Q588 WeakPolarHBondContact CB-O 3.22Å; Y562-Q588 WeakPolarHBondContact CD2-O 3.17Å; Y562-K589 HydrophobicContact CD1-CB 4.45Å; Y562-K589 HydrophobicContact CD1-CG 3.64Å; Y562-K589 HydrophobicContact CE1-CB 4.45Å; Y562-K589 HydrophobicContact CE1-CD 4.14Å; Y562-K589 HydrophobicContact CE1-CG 3.27Å; Y562-K589 HydrophobicContact CE2-CG 4.39Å; Y562-K589 HydrophobicContact CG-CG 4.35Å
563E91.2Very high89.8Confident75 Ų7547.2 Ų47.235%0.3525%0.249SC..Hα-helixtrans-69.1-42.1-177.3-62.7-178.214300111I530 V560 K565 Q566 L567I530-E563 HydrophobicContact CB-CB 4.02Å; I530-E563 HydrophobicContact CD1-CB 4.19Å; I530-E563 HydrophobicContact CG1-CB 3.97Å; I530-E563 HydrophobicContact CG2-CB 4.32Å; V560-E563 PolarHBondContact O-N 2.93Å; E563-K565 VanDerWaalsContact C-N 3.33Å; E563-K565 PolarHBondContact O-N 2.96Å; E563-Q566 PolarHBondContact O-N 2.88Å; E563-L567 VanDerWaalsContact O-CB 3.28Å; E563-L567 WeakPolarHBondContact O-CB 3.38Å; E563-L567 PolarHBondContact O-N 3.15Å
564L92.2Very high89.2Confident0 Ų047.9 Ų47.90%025%0.254CS..Hα-helixtrans-62.2-39.6173.7-178.859.3000112V428 M526 I530 Y533 L553 V560 L567 L568 L580V428-L564 HydrophobicContact CG2-CD2 4.4Å; M526-L564 HydrophobicContact CE-CD2 4.07Å; M526-L564 HydrophobicContact SD-CD2 4.29Å; I530-L564 HydrophobicContact CD1-CB 4.16Å; I530-L564 HydrophobicContact CD1-CD1 4.46Å; Y533-L564 HydrophobicContact CD1-CD1 4.11Å; Y533-L564 HydrophobicContact CE1-CD1 3.52Å; Y533-L564 HydrophobicContact CE2-CD1 4.22Å; L553-L564 HydrophobicContact CD1-CD2 3.66Å; L553-L564 HydrophobicContact CD2-CD2 3.77Å; L553-L564 HydrophobicContact CG-CD2 4.12Å; V560-L564 VanDerWaalsContact O-CB 3.29Å; V560-L564 WeakPolarHBondContact O-CB 3.43Å; V560-L564 PolarHBondContact O-N 2.93Å; L564-L567 PolarHBondContact O-N 3.16Å; L564-L568 HydrophobicContact CD1-CD1 4.45Å; L564-L568 HydrophobicContact CD1-CG 4.31Å; L564-L568 HydrophobicContact CG-CD1 4.26Å; L564-L568 VanDerWaalsContact O-CG 3.3Å; L564-L568 WeakPolarHBondContact O-CG 3.41Å; L564-L568 PolarHBondContact O-N 2.94Å; L564-L580 HydrophobicContact CD2-CD2 4.2Å; L564-L580 HydrophobicContact CG-CD2 4.11Å
565K92.1Very high88.6Confident24 Ų2453.5 Ų53.510%0.10429%0.289CS..Hα-helixtrans-60-48.1173.5169.5-176168.7176.60111.5F561 Y562 E563 L567 L568 I569 L580 A581 A586 Q587F561-K565 WeakPolarHBondContact O-CB 3.32Å; F561-K565 PolarHBondContact O-N 3.41Å; Y562-K565 WeakPolarHBondContact O-CB 3.34Å; Y562-K565 PolarHBondContact O-N 2.88Å; E563-K565 VanDerWaalsContact C-N 3.33Å; E563-K565 PolarHBondContact O-N 2.96Å; K565-L567 VanDerWaalsContact C-N 3.29Å; K565-L567 PolarHBondContact O-N 2.88Å; K565-L568 PolarHBondContact O-N 2.96Å; K565-I569 HydrophobicContact CD-CD1 4.46Å; K565-I569 HydrophobicContact CG-CD1 3.72Å; K565-I569 VanDerWaalsContact O-CG1 3.25Å; K565-I569 WeakPolarHBondContact O-CG1 3.5Å; K565-I569 PolarHBondContact O-N 3.47Å; K565-L580 HydrophobicContact CB-CG 4.39Å; K565-A581 WeakPolarHBondContact CE-O 3.05Å; K565-A581 PolarHBondContact NZ-O 3.37Å; K565-A586 HydrophobicContact CB-CB 4.47Å; K565-A586 HydrophobicContact CD-CB 3.96Å; K565-A586 WeakPolarHBondContact CD-O 3.22Å; K565-Q587 VanDerWaalsContact NZ-OE1 3.14Å
566Q89Confident88.3Confident65 Ų6547 Ų4730%0.30426%0.264SS..Hα-helixtrans-59.3-45.9177.5-67-54.8-45.100110.4Y562 E563 L568 I569 E570Y562-Q566 HydrophobicContact CD1-CG 4.31Å; Y562-Q566 HydrophobicContact CE1-CG 3.86Å; Y562-Q566 WeakPolarHBondContact O-CG 3.49Å; Y562-Q566 PolarHBondContact O-N 3.45Å; E563-Q566 PolarHBondContact O-N 2.88Å; Q566-L568 VanDerWaalsContact C-N 3.35Å; Q566-L568 PolarHBondContact O-N 2.97Å; Q566-I569 PolarHBondContact O-N 3.27Å; Q566-I569 VanDerWaalsContact O-N 3.14Å; Q566-E570 WeakPolarHBondContact O-CG 3.24Å; Q566-E570 PolarHBondContact O-N 2.95Å
567L87.2Confident88.1Confident15 Ų1543.8 Ų43.88%0.07925%0.251CS..Hα-helixtrans-59.3-42.7180-169163.2000112.5T421 I530 Y533 T534 E563 L564 K565 E570 S571T421-L567 HydrophobicContact CG2-CD1 3.96Å; T421-L567 HydrophobicContact CG2-CD2 3.26Å; T421-L567 HydrophobicContact CG2-CG 3.56Å; I530-L567 HydrophobicContact CD1-CD1 3.72Å; I530-L567 HydrophobicContact CG1-CD1 3.78Å; Y533-L567 HydrophobicContact CD1-CD1 3.83Å; Y533-L567 HydrophobicContact CE1-CD1 3.86Å; Y533-L567 HydrophobicContact CE1-CD2 3.98Å; T534-L567 HydrophobicContact CG2-CD1 3.63Å; E563-L567 VanDerWaalsContact O-CB 3.28Å; E563-L567 WeakPolarHBondContact O-CB 3.38Å; E563-L567 PolarHBondContact O-N 3.15Å; L564-L567 PolarHBondContact O-N 3.16Å; K565-L567 VanDerWaalsContact C-N 3.29Å; K565-L567 PolarHBondContact O-N 2.88Å; L567-E570 PolarHBondContact O-N 3.37Å; L567-S571 PolarHBondContact O-N 3.17Å
568L88.8Confident87.9Confident1 Ų146.5 Ų46.51%0.00528%0.275CS..Hα-helixtrans-68.9-36175.6-69.4170.8000113.1Q426 V428 L564 K565 Q566 E570 S571 C576 L580Q426-L568 HydrophobicContact CB-CD2 3.4Å; Q426-L568 HydrophobicContact CG-CD2 4.34Å; V428-L568 HydrophobicContact CB-CD1 4.5Å; V428-L568 HydrophobicContact CG2-CD1 3.74Å; V428-L568 HydrophobicContact CG2-CD2 4.36Å; L564-L568 HydrophobicContact CD1-CD1 4.45Å; L564-L568 HydrophobicContact CD1-CG 4.31Å; L564-L568 HydrophobicContact CG-CD1 4.26Å; L564-L568 VanDerWaalsContact O-CG 3.3Å; L564-L568 WeakPolarHBondContact O-CG 3.41Å; L564-L568 PolarHBondContact O-N 2.94Å; K565-L568 PolarHBondContact O-N 2.96Å; Q566-L568 VanDerWaalsContact C-N 3.35Å; Q566-L568 PolarHBondContact O-N 2.97Å; L568-E570 VanDerWaalsContact C-N 3.33Å; L568-S571 PolarHBondContact O-N 3.06Å; L568-C576 HydrophobicContact CB-CB 3.91Å; L568-L580 HydrophobicContact CD1-CD2 3.76Å
569I86.6Confident87.8Confident99 Ų9950.7 Ų50.751%0.50829%0.29SS..Hα-helixtrans-69.1-35.5177.4-70.2168.5000110.8K565 Q566 S571 C576K565-I569 HydrophobicContact CD-CD1 4.46Å; K565-I569 HydrophobicContact CG-CD1 3.72Å; K565-I569 VanDerWaalsContact O-CG1 3.25Å; K565-I569 WeakPolarHBondContact O-CG1 3.5Å; K565-I569 PolarHBondContact O-N 3.47Å; Q566-I569 PolarHBondContact O-N 3.27Å; Q566-I569 VanDerWaalsContact O-N 3.14Å; I569-S571 VanDerWaalsContact C-N 3.27Å; I569-S571 PolarHBondContact O-N 3.44Å; I569-C576 HydrophobicContact CG1-CB 4.16Å
570E84.1Confident87.7Confident97 Ų9747.7 Ų47.745%0.45327%0.265SS..Hα-helixtrans-73.9-17177.1-71.4-178.6-167.300113.3K419 Q566 L567 L568 P572K419-E570 WeakPolarHBondContact CE-OE2 3.37Å; K419-E570 IonicContact NZ-OE2 3.59Å; K419-E570 PolarHBondContact NZ-OE2 2.89Å; Q566-E570 WeakPolarHBondContact O-CG 3.24Å; Q566-E570 PolarHBondContact O-N 2.95Å; L567-E570 PolarHBondContact O-N 3.37Å; L568-E570 VanDerWaalsContact C-N 3.33Å; E570-P572 WeakPolarHBondContact O-CD 3.48Å
571S81.6Confident87.5Confident4 Ų448.4 Ų48.43%0.02827%0.272CS..  trans-84116.1-179.9178.20000111.2T421 L567 L568 I569 V573 S574T421-S571 VanDerWaalsContact O-CB 3.25Å; T421-S571 WeakPolarHBondContact O-CB 3.33Å; T421-S571 PolarHBondContact O-OG 3.09Å; L567-S571 PolarHBondContact O-N 3.17Å; L568-S571 PolarHBondContact O-N 3.06Å; I569-S571 VanDerWaalsContact C-N 3.27Å; I569-S571 PolarHBondContact O-N 3.44Å; S571-V573 PolarHBondContact O-N 3.04Å; S571-V573 WeakPolarHBondContact OG-CG2 3.41Å; S571-S574 WeakPolarHBondContact CB-OG 3.49Å; S571-S574 PolarHBondContact O-N 3.38Å; S571-S574 WeakPolarHBondContact OG-CB 3.25Å; S571-S574 PolarHBondContact OG-N 2.96Å; S571-S574 PolarHBondContact OG-OG 3.23Å
572P79.6Confident87.3Confident106 Ų10654.3 Ų54.369%0.68830%0.303SS*.THydrogen-bonded Turntrans-69.6-21.2178.828.5-35.3000113.4E570E570-P572 WeakPolarHBondContact O-CD 3.48Å
573V81.5Confident87.2Confident74 Ų7454.3 Ų54.345%0.44831%0.305SS..THydrogen-bonded Turntrans-96.5-4.6-178.5-63.50000113.2E422 V424 S571E422-V573 WeakPolarHBondContact O-CG2 3.26Å; V424-V573 WeakPolarHBondContact O-CG2 3.47Å; S571-V573 PolarHBondContact O-N 3.04Å; S571-V573 WeakPolarHBondContact OG-CG2 3.41Å
574S83.5Confident87.1Confident14 Ų1455.5 Ų55.510%0.09832%0.319CS..  trans-113155-178.3-51.40000111V424 Q426 S571V424-S574 PolarHBondContact O-OG 2.86Å; Q426-S574 WeakPolarHBondContact CB-OG 3.45Å; Q426-S574 PolarHBondContact N-OG 3.28Å; S571-S574 WeakPolarHBondContact CB-OG 3.49Å; S571-S574 PolarHBondContact O-N 3.38Å; S571-S574 WeakPolarHBondContact OG-CB 3.25Å; S571-S574 PolarHBondContact OG-N 2.96Å; S571-S574 PolarHBondContact OG-OG 3.23Å
575T83Confident87Confident121 Ų12159.4 Ų59.474%0.74234%0.34SS*.  trans-116121.5171.7-58.90000108.5P577T575-P577 WeakPolarHBondContact O-CD 3.46Å
576C85.5Confident87Confident27 Ų2758.3 Ų58.318%0.18234%0.335CS..  trans-69.6120.3173.7-171.40000109.3L568 I569 A578L568-C576 HydrophobicContact CB-CB 3.91Å; I569-C576 HydrophobicContact CG1-CB 4.16Å; C576-A578 PolarHBondContact O-N 3.05Å
577P88.4Confident87Confident30 Ų3059.4 Ų59.420%0.19534%0.34CS..  trans-65.5139.9-179.525.8-32.1000110.2V428 T575 E579 L580 A581V428-P577 HydrophobicContact CB-CG 3.98Å; V428-P577 HydrophobicContact CG1-CG 4.3Å; T575-P577 WeakPolarHBondContact O-CD 3.46Å; P577-E579 PolarHBondContact O-N 3.38Å; P577-E579 VanDerWaalsContact O-N 3.1Å; P577-L580 HydrophobicContact CG-CB 3.96Å; P577-L580 PolarHBondContact O-N 3.37Å; P577-A581 PolarHBondContact O-N 3.16Å
578A88.8Confident86.9Confident66 Ų6662.8 Ų62.855%0.54536%0.356SS..Hα-helixtrans-56.2-31.3-178.800000112.5C576 N582C576-A578 PolarHBondContact O-N 3.05Å; A578-N582 VanDerWaalsContact O-CB 3.28Å; A578-N582 WeakPolarHBondContact O-CB 3.35Å; A578-N582 PolarHBondContact O-N 3.19Å; A578-N582 PolarHBondContact O-ND2 2.89Å; A578-N582 VanDerWaalsContact O-ND2 3.09Å
579E88.3Confident86.7Confident129 Ų12968.7 Ų68.760%0.60338%0.381SS*.Hα-helixtrans-61.1-44.9176.1-65.4174.5-17000112.3M430 P577 H583M430-E579 WeakPolarHBondContact CB-OE2 3.35Å; M430-E579 HydrophobicContact CG-CB 4.19Å; P577-E579 PolarHBondContact O-N 3.38Å; P577-E579 VanDerWaalsContact O-N 3.1Å; E579-H583 WeakPolarHBondContact O-CB 3.5Å; E579-H583 PolarHBondContact O-N 2.78Å
580L90.2Very high86.3Confident0 Ų067 Ų670%038%0.377CS..Hα-helixtrans-77.7-44176.3-178.662.3000111.2V428 L553 F561 L564 K565 L568 P577 N582 H583 A586V428-L580 HydrophobicContact CG1-CD2 4.44Å; L553-L580 HydrophobicContact CD1-CD1 3.92Å; L553-L580 HydrophobicContact CD1-CD2 3.98Å; L553-L580 HydrophobicContact CD1-CG 4.48Å; F561-L580 HydrophobicContact CB-CD1 3.85Å; F561-L580 HydrophobicContact CD1-CD1 4.13Å; F561-L580 HydrophobicContact CD2-CD1 3.9Å; F561-L580 HydrophobicContact CE2-CD1 4.49Å; F561-L580 HydrophobicContact CG-CD1 3.7Å; L564-L580 HydrophobicContact CD2-CD2 4.2Å; L564-L580 HydrophobicContact CG-CD2 4.11Å; K565-L580 HydrophobicContact CB-CG 4.39Å; L568-L580 HydrophobicContact CD1-CD2 3.76Å; P577-L580 HydrophobicContact CG-CB 3.96Å; P577-L580 PolarHBondContact O-N 3.37Å; L580-N582 PolarHBondContact O-N 3.37Å; L580-H583 WeakPolarHBondContact O-CB 3.45Å; L580-H583 PolarHBondContact O-N 2.87Å; L580-H583 VanDerWaalsContact O-N 3.08Å; L580-A586 HydrophobicContact CD1-CB 4.19Å; L580-A586 WeakPolarHBondContact O-CB 3.45Å
581A89.4Confident85.9Confident22 Ų2266 Ų6618%0.18239%0.393CS..Hα-helixtrans-57.1-37.8-177.900000112.5K565 P577 Q587K565-A581 WeakPolarHBondContact CE-O 3.05Å; K565-A581 PolarHBondContact NZ-O 3.37Å; P577-A581 PolarHBondContact O-N 3.16Å; A581-Q587 PolarHBondContact O-NE2 3.19Å
582N90Very high85.3Confident124 Ų12470 Ų7066%0.66342%0.416SS*.THydrogen-bonded Turntrans-98.81.1-180-60-42.2000113.6A578 L580A578-N582 VanDerWaalsContact O-CB 3.28Å; A578-N582 WeakPolarHBondContact O-CB 3.35Å; A578-N582 PolarHBondContact O-N 3.19Å; A578-N582 PolarHBondContact O-ND2 2.89Å; A578-N582 VanDerWaalsContact O-ND2 3.09Å; L580-N582 PolarHBondContact O-N 3.37Å
583H90.2Very high84.1Confident48 Ų4874.7 Ų74.722%0.22243%0.426CS..  trans-62.7137.3-179.3-162.1-90.2000110.6M430 F561 E579 L580 D585 A586 Q587M430-H583 HydrophobicContact CE-CB 4.37Å; M430-H583 WeakPolarHBondContact CE-CD2 3.21Å; F561-H583 HydrophobicContact CD2-CB 4.31Å; F561-H583 AromaticContact CD2-CE1 3.96Å; F561-H583 AromaticContact CD2-CG 3.84Å; F561-H583 AromaticContact CD2-ND1 3.45Å; F561-H583 WeakPolarHBondContact CD2-ND1 3.25Å; F561-H583 AromaticContact CE2-CE1 3.58Å; F561-H583 AromaticContact CE2-CG 3.83Å; F561-H583 AromaticContact CE2-ND1 3.53Å; F561-H583 AromaticContact CE2-NE2 3.92Å; E579-H583 WeakPolarHBondContact O-CB 3.5Å; E579-H583 PolarHBondContact O-N 2.78Å; L580-H583 WeakPolarHBondContact O-CB 3.45Å; L580-H583 PolarHBondContact O-N 2.87Å; L580-H583 VanDerWaalsContact O-N 3.08Å; H583-D585 VanDerWaalsContact C-N 3.31Å; H583-D585 IonicContact CE1-OD2 3.87Å; H583-D585 PolarHBondContact CE1-OD2 2.94Å; H583-D585 VanDerWaalsContact CE1-OD2 3.25Å; H583-D585 PolarHBondContact ND1-N 3.48Å; H583-D585 VanDerWaalsContact ND1-N 3.19Å; H583-D585 IonicContact ND1-OD2 2.84Å; H583-D585 PolarHBondContact O-N 3.44Å; H583-A586 HydrophobicContact CB-CB 3.98Å; H583-A586 PolarHBondContact O-N 2.92Å; H583-Q587 WeakPolarHBondContact O-CG 3.47Å; H583-Q587 PolarHBondContact O-NE2 3.04Å
584P90Very high82.5Confident99 Ų9976.7 Ų76.764%0.64343%0.432SS*.G310 helixtrans-53.4-45.6178.4-27.735000113.3A586 Q587P584-A586 PolarHBondContact O-N 3.07Å; P584-Q587 PolarHBondContact O-N 2.96Å
585D90.2Very high80.7Confident83 Ų8382.1 Ų82.144%0.44447%0.465SS..G310 helixtrans-73.3-11.1-179-56.5-31.5000113.8S558 F561 H583S558-D585 WeakPolarHBondContact CB-OD2 3.44Å; F561-D585 HydrophobicContact CD2-CB 4.11Å; H583-D585 VanDerWaalsContact C-N 3.31Å; H583-D585 IonicContact CE1-OD2 3.87Å; H583-D585 PolarHBondContact CE1-OD2 2.94Å; H583-D585 VanDerWaalsContact CE1-OD2 3.25Å; H583-D585 PolarHBondContact ND1-N 3.48Å; H583-D585 VanDerWaalsContact ND1-N 3.19Å; H583-D585 IonicContact ND1-OD2 2.84Å; H583-D585 PolarHBondContact O-N 3.44Å
586A90.6Very high78.9Confident0 Ų086.2 Ų86.20%047%0.473CS..G310 helixtrans-92.11.217600000113.3F561 Y562 K565 L580 H583 P584F561-A586 HydrophobicContact CB-CB 3.93Å; Y562-A586 WeakPolarHBondContact CD2-O 3.44Å; K565-A586 HydrophobicContact CB-CB 4.47Å; K565-A586 HydrophobicContact CD-CB 3.96Å; K565-A586 WeakPolarHBondContact CD-O 3.22Å; L580-A586 HydrophobicContact CD1-CB 4.19Å; L580-A586 WeakPolarHBondContact O-CB 3.45Å; H583-A586 HydrophobicContact CB-CB 3.98Å; H583-A586 PolarHBondContact O-N 2.92Å; P584-A586 PolarHBondContact O-N 3.07Å
587Q89Confident76.9Confident89 Ų8993.9 Ų93.942%0.41650%0.503SS..SBendtrans-88.1-23.1-176-57-47.7-46.100113.7K565 A581 H583 P584K565-Q587 VanDerWaalsContact NZ-OE1 3.14Å; A581-Q587 PolarHBondContact O-NE2 3.19Å; H583-Q587 WeakPolarHBondContact O-CG 3.47Å; H583-Q587 PolarHBondContact O-NE2 3.04Å; P584-Q587 PolarHBondContact O-N 2.96Å
588Q86.1Confident74.5Confident86 Ų86104.1 Ų104.140%0.40254%0.538SS..SBendtrans-132151.2-173.7-62.8-18021.200110.8Y562 M594Y562-Q588 VanDerWaalsContact CB-O 3.26Å; Y562-Q588 WeakPolarHBondContact CB-O 3.22Å; Y562-Q588 WeakPolarHBondContact CD2-O 3.17Å; Q588-M594 VanDerWaalsContact CD-SD 3.57Å; Q588-M594 PolarHBondContact NE2-SD 2.83Å
589K85.1Confident72.5Confident125 Ų125110.2 Ų110.254%0.54355%0.551SS.*  trans-62.1134.7173.3-74.9-174.8177.4-170.80109.7Y562 G591 V592Y562-K589 HydrophobicContact CD1-CB 4.45Å; Y562-K589 HydrophobicContact CD1-CG 3.64Å; Y562-K589 HydrophobicContact CE1-CB 4.45Å; Y562-K589 HydrophobicContact CE1-CD 4.14Å; Y562-K589 HydrophobicContact CE1-CG 3.27Å; Y562-K589 HydrophobicContact CE2-CG 4.39Å; Y562-K589 HydrophobicContact CG-CG 4.35Å; K589-G591 PolarHBondContact O-N 3.29Å; K589-V592 HydrophobicContact CB-CG2 3.95Å; K589-V592 PolarHBondContact O-N 2.9Å
590P78.1Confident70.2Confident64 Ų64112.8 Ų112.842%0.41656%0.564SS.*THydrogen-bonded Turntrans-53.1137.9173.9-21.130.1000110.7A559A559-P590 WeakPolarHBondContact O-CG 3.44Å
591G75.7Confident67.9Low76 Ų76120.7 Ų120.778%0.78460%0.601SS**THydrogen-bonded Turntrans86.3-7.1-179.700000115.8K589 F593K589-G591 PolarHBondContact O-N 3.29Å; G591-F593 PolarHBondContact O-N 3.16Å
592V67.5Low66Low86 Ų86126 Ų12652%0.52163%0.631SS.*  trans-85.4102.4172.7-176.30000109.8K589 M594K589-V592 HydrophobicContact CB-CG2 3.95Å; K589-V592 PolarHBondContact O-N 2.9Å; V592-M594 PolarHBondContact O-N 2.84Å
593F54.1Low63.7Low205 Ų205126.6 Ų126.690%0.89963%0.633SS**  trans-74109.2170.3-84.5-90.2000110.4G591G591-F593 PolarHBondContact O-N 3.16Å
594M49.1Very low61.5Low116 Ų116134.5 Ų134.557%0.57166%0.662SS**  trans-83.8126.9162.4-77.3-166.971.800110.1Q588 V592 K596Q588-M594 VanDerWaalsContact CD-SD 3.57Å; Q588-M594 PolarHBondContact NE2-SD 2.83Å; V592-M594 PolarHBondContact O-N 2.84Å; M594-K596 PolarHBondContact O-N 3.43Å; M594-K596 VanDerWaalsContact O-N 3.16Å
595T45.5Very low59.6Low129 Ų129141.2 Ų141.279%0.79168%0.675SS**  trans-56.6120.1157.946.20000107.2K597T595-K597 PolarHBondContact O-N 3.47Å
596K44.2Very low57.7Low207 Ų207145.5 Ų145.590%0.972%0.721SS**  trans-52110.3173.1-85.6-178.3176.2175.80107.4M594 R598M594-K596 PolarHBondContact O-N 3.43Å; M594-K596 VanDerWaalsContact O-N 3.16Å; K596-R598 PolarHBondContact O-N 2.95Å; K596-R598 VanDerWaalsContact O-N 3.08Å
597K44.6Very low56.1Low188 Ų188152.8 Ų152.882%0.81776%0.758SS**  trans-55.3118.2161.2-86.8-174.3173.4-178.90105.9T595 K599T595-K597 PolarHBondContact O-N 3.47Å; K597-K599 PolarHBondContact O-N 2.94Å
598R38.6Very low54.4Low245 Ų245156.1 Ų156.193%0.92578%0.776SS**  trans-46.1114.1173.2-88.1179.1167.3173.9-4.8107.4K596 E600K596-R598 PolarHBondContact O-N 2.95Å; K596-R598 VanDerWaalsContact O-N 3.08Å; R598-E600 PolarHBondContact O-N 3.35Å
599K46.5Very low52.6Low193 Ų193160 Ų16084%0.83980%0.796SS**  trans-60.8127.6165.5-85.2-177.3173.3-178.30106.2K597 E601K597-K599 PolarHBondContact O-N 2.94Å; K599-E601 VanDerWaalsContact C-N 3.33Å; K599-E601 PolarHBondContact O-N 3.15Å
600E39.1Very low50.7Low183 Ų183162.1 Ų162.186%0.85581%0.811SS**  trans-57.299.6164.7-70.5175155.700107.5R598 V602R598-E600 PolarHBondContact O-N 3.35Å; E600-V602 PolarHBondContact O-N 2.98Å
601E41.5Very low49Very low167 Ų167168.2 Ų168.278%0.7884%0.836SS**  trans-68.6106.8160.6-78.6-177.2164.400106.8K599 L603K599-E601 VanDerWaalsContact C-N 3.33Å; K599-E601 PolarHBondContact O-N 3.15Å; E601-L603 VanDerWaalsContact C-N 3.31Å; E601-L603 PolarHBondContact O-N 3.38Å
602V49.5Very low47.2Very low134 Ų134174.3 Ų174.381%0.81284%0.839SS**  trans-66.995.2165.5-179.70000107E600E600-V602 PolarHBondContact O-N 2.98Å
603L43.1Very low45.7Very low136 Ų136180.6 Ų180.671%0.71286%0.862SS**  trans-76.7114.9164.3-98.2113.6000108.7E601E601-L603 VanDerWaalsContact C-N 3.31Å; E601-L603 PolarHBondContact O-N 3.38Å
604Y42.4Very low45.1Very low214 Ų214178.8 Ų178.884%0.83986%0.859SS**  trans55.5114162.1-86.2-97000118.3
605R50.9Low44.8Very low240 Ų240184 Ų18491%0.90688%0.883SS**  trans-95126.6143.4-93.9-175.5174.4176.7-2107.6
606A51Low44.7Very low172 Ų172189 Ų189100%1.42189%0.892SS**  trans-59.40165.500000111.5

Retrieved 606 of 606 residues in 260.6 ms (Link to these results)

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