A0A5K4FCC2_SCHMA Loading...

Amidase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 635 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
1M47.8Very low58.7Low207 Ų207111.4 Ų111.4100%1.0260%0.602SS**  0-42.50-73.8-178.498.400113.6H3 V4 T5M1-H3 PolarHBondContact O-N 2.98Å; M1-V4 PolarHBondContact O-N 3.47Å; M1-V4 VanDerWaalsContact O-N 3.15Å; M1-T5 PolarHBondContact O-N 3.17Å; M1-T5 VanDerWaalsContact O-N 3.11Å; M1-T5 PolarHBondContact O-OG1 2.79Å
2S58.8Low59Low81 Ų81109 Ų10957%0.56659%0.588SS**Hα-helixtrans-57.6-38.5-178.360.40000115.1T5 N6S2-T5 VanDerWaalsContact C-OG1 3.32Å; S2-T5 VanDerWaalsContact CA-OG1 3.3Å; S2-T5 WeakPolarHBondContact CA-OG1 3.05Å; S2-T5 PolarHBondContact O-OG1 2.86Å; S2-N6 WeakPolarHBondContact O-CB 3.44Å; S2-N6 VanDerWaalsContact O-CG 3.29Å; S2-N6 PolarHBondContact O-N 3.03Å
3H51.8Low58.6Low150 Ų150104.8 Ų104.869%0.69457%0.565SS**Hα-helixtrans-69-33.8177.6-95.2-70.4000113.5M1 T7M1-H3 PolarHBondContact O-N 2.98Å; H3-T7 PolarHBondContact O-N 3.03Å; H3-T7 VanDerWaalsContact O-N 3.08Å; H3-T7 PolarHBondContact O-OG1 2.82Å
4V60.7Low58.1Low103 Ų10399.8 Ų99.862%0.62455%0.55SS*.Hα-helixtrans-73-40.2178.1-179.50000110.2M1 T7 L8M1-V4 PolarHBondContact O-N 3.47Å; M1-V4 VanDerWaalsContact O-N 3.15Å; V4-T7 WeakPolarHBondContact CA-OG1 3.38Å; V4-T7 PolarHBondContact O-OG1 3.35Å; V4-L8 WeakPolarHBondContact O-CB 3.29Å; V4-L8 PolarHBondContact O-N 3.31Å
5T62.4Low57.8Low77 Ų7799.1 Ų99.147%0.47254%0.544SS..Hα-helixtrans-64.2-40.1173.241.30000112M1 S2 L8 C9M1-T5 PolarHBondContact O-N 3.17Å; M1-T5 VanDerWaalsContact O-N 3.11Å; M1-T5 PolarHBondContact O-OG1 2.79Å; S2-T5 VanDerWaalsContact C-OG1 3.32Å; S2-T5 VanDerWaalsContact CA-OG1 3.3Å; S2-T5 WeakPolarHBondContact CA-OG1 3.05Å; S2-T5 PolarHBondContact O-OG1 2.86Å; T5-L8 PolarHBondContact O-N 3.02Å; T5-C9 WeakPolarHBondContact O-CB 3.32Å; T5-C9 PolarHBondContact O-N 3.01Å; T5-C9 PolarHBondContact O-SG 3.27Å
6N62.3Low57.4Low96 Ų9694.8 Ų94.851%0.51352%0.522SS..Hα-helixtrans-67.8-40.3179.4-75.6-5.4000112.7S2 C9 L10S2-N6 WeakPolarHBondContact O-CB 3.44Å; S2-N6 VanDerWaalsContact O-CG 3.29Å; S2-N6 PolarHBondContact O-N 3.03Å; N6-C9 PolarHBondContact O-N 3.41Å; N6-L10 WeakPolarHBondContact O-CB 3.3Å; N6-L10 VanDerWaalsContact O-CG 3.29Å; N6-L10 WeakPolarHBondContact O-CG 3.33Å; N6-L10 PolarHBondContact O-N 3.34Å
7T61.9Low57.1Low83 Ų8395 Ų9551%0.50952%0.522SS..Hα-helixtrans-69-39.2177.3420000112H3 V4 L10 F11H3-T7 PolarHBondContact O-N 3.03Å; H3-T7 VanDerWaalsContact O-N 3.08Å; H3-T7 PolarHBondContact O-OG1 2.82Å; V4-T7 WeakPolarHBondContact CA-OG1 3.38Å; V4-T7 PolarHBondContact O-OG1 3.35Å; T7-L10 PolarHBondContact O-N 3.4Å; T7-F11 WeakPolarHBondContact O-CB 3.17Å; T7-F11 PolarHBondContact O-N 3.01Å
8L64.6Low56.9Low107 Ų10795.7 Ų95.756%0.5652%0.523SS*.Hα-helixtrans-64.2-42.5173-162.983.7000111.5V4 T5 F11 I12V4-L8 WeakPolarHBondContact O-CB 3.29Å; V4-L8 PolarHBondContact O-N 3.31Å; T5-L8 PolarHBondContact O-N 3.02Å; L8-F11 PolarHBondContact O-N 3.36Å; L8-I12 HydrophobicContact CD2-CD1 4.25Å; L8-I12 HydrophobicContact CG-CD1 4.1Å; L8-I12 WeakPolarHBondContact O-CB 3.49Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.23Å; L8-I12 PolarHBondContact O-N 2.91Å
9C59.4Low56.7Low67 Ų6793.6 Ų93.645%0.45351%0.507SS..Hα-helixtrans-61.1-44.7174.1-740000111.6T5 N6 F11 I12 D13T5-C9 WeakPolarHBondContact O-CB 3.32Å; T5-C9 PolarHBondContact O-N 3.01Å; T5-C9 PolarHBondContact O-SG 3.27Å; N6-C9 PolarHBondContact O-N 3.41Å; C9-F11 VanDerWaalsContact C-N 3.31Å; C9-F11 PolarHBondContact O-N 3.48Å; C9-I12 CarbonylContact O-C 3.57Å; C9-I12 PolarHBondContact O-N 3.31Å; C9-D13 WeakPolarHBondContact O-CB 3.37Å; C9-D13 PolarHBondContact O-N 2.85Å
10L61.2Low56.5Low118 Ų11890.5 Ų90.562%0.61849%0.49SS*.Hα-helixtrans-63.4-35.8176.1-74.8166.9000112.6N6 T7 D13 G14N6-L10 WeakPolarHBondContact O-CB 3.3Å; N6-L10 VanDerWaalsContact O-CG 3.29Å; N6-L10 WeakPolarHBondContact O-CG 3.33Å; N6-L10 PolarHBondContact O-N 3.34Å; T7-L10 PolarHBondContact O-N 3.4Å; L10-D13 PolarHBondContact O-N 2.83Å; L10-G14 PolarHBondContact O-N 2.89Å
11F55Low56.3Low136 Ų13691 Ų9160%0.59649%0.492SS*.Hα-helixtrans-69.5-42.2175.5-176.4-102.8000111.8T7 L8 C9 D13 G14 L15T7-F11 WeakPolarHBondContact O-CB 3.17Å; T7-F11 PolarHBondContact O-N 3.01Å; L8-F11 PolarHBondContact O-N 3.36Å; C9-F11 VanDerWaalsContact C-N 3.31Å; C9-F11 PolarHBondContact O-N 3.48Å; F11-D13 VanDerWaalsContact C-N 3.3Å; F11-G14 PolarHBondContact O-N 3.44Å; F11-L15 HydrophobicContact CD1-CD1 4.03Å; F11-L15 HydrophobicContact CE1-CD1 3.67Å; F11-L15 HydrophobicContact CE1-CG 4.29Å; F11-L15 HydrophobicContact CZ-CD1 4.34Å; F11-L15 WeakPolarHBondContact O-CG 3.26Å; F11-L15 PolarHBondContact O-N 3.33Å
12I62Low56.6Low83 Ų8384 Ų8443%0.42646%0.459SS..Hα-helixtrans-63.3-38.9172-67.2165.7000110.4L8 C9 G14 L15 T16L8-I12 HydrophobicContact CD2-CD1 4.25Å; L8-I12 HydrophobicContact CG-CD1 4.1Å; L8-I12 WeakPolarHBondContact O-CB 3.49Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.23Å; L8-I12 PolarHBondContact O-N 2.91Å; C9-I12 CarbonylContact O-C 3.57Å; C9-I12 PolarHBondContact O-N 3.31Å; I12-G14 VanDerWaalsContact C-N 3.31Å; I12-G14 PolarHBondContact O-N 3.35Å; I12-L15 CarbonylContact O-C 3.54Å; I12-L15 WeakPolarHBondContact O-CB 3.12Å; I12-L15 PolarHBondContact O-N 2.9Å; I12-T16 PolarHBondContact O-N 3.4Å; I12-T16 PolarHBondContact O-OG1 3.18Å
13D53.9Low56.3Low55 Ų5581.8 Ų81.829%0.29444%0.44SS..Hα-helixtrans-64.9-34.8174.1-72.3-24.2000111.7C9 L10 F11 T16 L17C9-D13 WeakPolarHBondContact O-CB 3.37Å; C9-D13 PolarHBondContact O-N 2.85Å; L10-D13 PolarHBondContact O-N 2.83Å; F11-D13 VanDerWaalsContact C-N 3.3Å; D13-T16 VanDerWaalsContact C-OG1 3.28Å; D13-T16 WeakPolarHBondContact CA-OG1 3.21Å; D13-T16 PolarHBondContact O-N 3.37Å; D13-T16 PolarHBondContact O-OG1 3.39Å; D13-L17 WeakPolarHBondContact O-CB 3.14Å; D13-L17 PolarHBondContact O-N 2.74Å
14G51.7Low56.3Low34 Ų3476.3 Ų76.335%0.35142%0.421SS..Hα-helixtrans-67.5-40171.600000112.4L10 F11 I12 L17 I18L10-G14 PolarHBondContact O-N 2.89Å; F11-G14 PolarHBondContact O-N 3.44Å; I12-G14 VanDerWaalsContact C-N 3.31Å; I12-G14 PolarHBondContact O-N 3.35Å; G14-L17 WeakPolarHBondContact O-CB 3.49Å; G14-L17 PolarHBondContact O-N 2.73Å; G14-I18 PolarHBondContact O-N 3.4Å
15L53.3Low55.9Low89 Ų8973.7 Ų73.747%0.46641%0.406SS..Hα-helixtrans-67.6-37.5173.5-71.4172.3000111.9F11 I12 L17 I18 Y19F11-L15 HydrophobicContact CD1-CD1 4.03Å; F11-L15 HydrophobicContact CE1-CD1 3.67Å; F11-L15 HydrophobicContact CE1-CG 4.29Å; F11-L15 HydrophobicContact CZ-CD1 4.34Å; F11-L15 WeakPolarHBondContact O-CG 3.26Å; F11-L15 PolarHBondContact O-N 3.33Å; I12-L15 CarbonylContact O-C 3.54Å; I12-L15 WeakPolarHBondContact O-CB 3.12Å; I12-L15 PolarHBondContact O-N 2.9Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.26Å; L15-I18 HydrophobicContact CD2-CD1 4.5Å; L15-I18 PolarHBondContact O-N 2.89Å; L15-Y19 VanDerWaalsContact O-CB 3.24Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 2.84Å
16T51.1Low55.2Low30 Ų3076.5 Ų76.518%0.18441%0.412CS..Hα-helixtrans-67.1-27.917246.30000111.9I12 D13 Y19 L20 A464I12-T16 PolarHBondContact O-N 3.4Å; I12-T16 PolarHBondContact O-OG1 3.18Å; D13-T16 VanDerWaalsContact C-OG1 3.28Å; D13-T16 WeakPolarHBondContact CA-OG1 3.21Å; D13-T16 PolarHBondContact O-N 3.37Å; D13-T16 PolarHBondContact O-OG1 3.39Å; T16-Y19 CarbonylContact O-C 3.25Å; T16-Y19 WeakPolarHBondContact O-CB 2.93Å; T16-Y19 PolarHBondContact O-N 3Å; T16-L20 WeakPolarHBondContact O-CB 3.07Å; T16-L20 WeakPolarHBondContact O-CD1 3.49Å; T16-L20 VanDerWaalsContact O-CG 3.27Å; T16-L20 WeakPolarHBondContact O-CG 3.34Å; T16-L20 PolarHBondContact O-N 3.3Å; T16-A464 WeakPolarHBondContact CB-O 3.36Å
17L52.3Low54.6Low99 Ų9981.3 Ų81.352%0.51842%0.424SS..Hα-helixtrans-70.3-40.7173-145.9142.2000112.1D13 G14 L15 Y19 L20 L21D13-L17 WeakPolarHBondContact O-CB 3.14Å; D13-L17 PolarHBondContact O-N 2.74Å; G14-L17 WeakPolarHBondContact O-CB 3.49Å; G14-L17 PolarHBondContact O-N 2.73Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.26Å; L17-Y19 VanDerWaalsContact C-N 3.25Å; L17-Y19 PolarHBondContact O-N 3.34Å; L17-L20 PolarHBondContact O-N 3.36Å; L17-L21 HydrophobicContact CD2-CD1 4.28Å; L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 PolarHBondContact O-N 2.87Å
18I54.2Low53.9Low108 Ų10881.2 Ų81.255%0.55442%0.419SS*.Hα-helixtrans-63.1-35.4169.8-66.1169.7000110.8G14 L15 L21 D22G14-I18 PolarHBondContact O-N 3.4Å; L15-I18 HydrophobicContact CD2-CD1 4.5Å; L15-I18 PolarHBondContact O-N 2.89Å; I18-L21 VanDerWaalsContact O-CB 3.29Å; I18-L21 WeakPolarHBondContact O-CB 3.3Å; I18-L21 PolarHBondContact O-N 3.44Å; I18-D22 PolarHBondContact O-N 2.85Å
19Y52.8Low52.9Low55 Ų5579.5 Ų79.522%0.21641%0.408CS..Hα-helixtrans-74.7-36.8177.5-179.5-99.6000113.4L15 T16 L17 L21 D22 L23 Y443 A464L15-Y19 VanDerWaalsContact O-CB 3.24Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 2.84Å; T16-Y19 CarbonylContact O-C 3.25Å; T16-Y19 WeakPolarHBondContact O-CB 2.93Å; T16-Y19 PolarHBondContact O-N 3Å; L17-Y19 VanDerWaalsContact C-N 3.25Å; L17-Y19 PolarHBondContact O-N 3.34Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-D22 WeakPolarHBondContact O-CA 3.46Å; Y19-D22 WeakPolarHBondContact O-CB 3.34Å; Y19-D22 PolarHBondContact O-N 2.9Å; Y19-L23 HydrophobicContact CE1-CD1 3.83Å; Y19-L23 PolarHBondContact O-N 3.41Å; Y19-Y443 AromaticContact CZ-CG 3.93Å; Y19-Y443 WeakPolarHBondContact OH-CD1 3.48Å; Y19-Y443 WeakPolarHBondContact OH-CD2 3.46Å; Y19-Y443 WeakPolarHBondContact OH-CE1 3.29Å; Y19-Y443 VanDerWaalsContact OH-CE2 3.23Å; Y19-Y443 WeakPolarHBondContact OH-CE2 3.34Å; Y19-A464 HydrophobicContact CD1-CB 4.12Å; Y19-A464 HydrophobicContact CE1-CB 4.09Å
20L52Low52.7Low31 Ų3180.4 Ų80.416%0.16241%0.414CS..Hα-helixtrans-66.3-35.7169.3-80.4160.6000110.5T16 L17 D22 L23 A24 L461 A464 L465T16-L20 WeakPolarHBondContact O-CB 3.07Å; T16-L20 WeakPolarHBondContact O-CD1 3.49Å; T16-L20 VanDerWaalsContact O-CG 3.27Å; T16-L20 WeakPolarHBondContact O-CG 3.34Å; T16-L20 PolarHBondContact O-N 3.3Å; L17-L20 PolarHBondContact O-N 3.36Å; L20-D22 VanDerWaalsContact C-N 3.32Å; L20-L23 PolarHBondContact O-N 3.31Å; L20-A24 WeakPolarHBondContact O-CB 3.29Å; L20-A24 PolarHBondContact O-N 2.9Å; L20-L461 HydrophobicContact CD2-CD2 4.19Å; L20-A464 HydrophobicContact CD2-CB 4.27Å; L20-A464 HydrophobicContact CG-CB 4.45Å; L20-L465 HydrophobicContact CD1-CD2 3.69Å; L20-L465 HydrophobicContact CD2-CD2 3.85Å; L20-L465 HydrophobicContact CD2-CG 4.41Å; L20-L465 HydrophobicContact CG-CD2 4.44Å
21L53.9Low52.1Low102 Ų10284.6 Ų84.653%0.53442%0.422SS..Hα-helixtrans-59.6-42.6166.4-85.9156.2000110.6L17 I18 Y19 L23 A24 T25L17-L21 HydrophobicContact CD2-CD1 4.28Å; L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 PolarHBondContact O-N 2.87Å; I18-L21 VanDerWaalsContact O-CB 3.29Å; I18-L21 WeakPolarHBondContact O-CB 3.3Å; I18-L21 PolarHBondContact O-N 3.44Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 2.89Å; L21-A24 PolarHBondContact O-N 3.46Å; L21-T25 WeakPolarHBondContact O-CA 3.45Å; L21-T25 VanDerWaalsContact O-CB 3.24Å; L21-T25 WeakPolarHBondContact O-CB 3.39Å; L21-T25 WeakPolarHBondContact O-CG2 3.04Å; L21-T25 PolarHBondContact O-N 2.86Å; L21-T25 PolarHBondContact O-OG1 3.42Å
22D54.2Low51.9Low60 Ų6082 Ų8232%0.32142%0.418SS..Hα-helixtrans-58.6-34.8175.6-140.618.3000112.5I18 Y19 L20 T25 R60I18-D22 PolarHBondContact O-N 2.85Å; Y19-D22 WeakPolarHBondContact O-CA 3.46Å; Y19-D22 WeakPolarHBondContact O-CB 3.34Å; Y19-D22 PolarHBondContact O-N 2.9Å; L20-D22 VanDerWaalsContact C-N 3.32Å; D22-T25 WeakPolarHBondContact CA-OG1 3.43Å; D22-T25 PolarHBondContact O-OG1 3.42Å; D22-R60 IonicContact OD2-NH1 3.66Å
23L51.6Low51.5Low34 Ų3479.3 Ų79.318%0.17841%0.405CS..Hα-helixtrans-91.3-36.3-179.5-115.1151000113.2Y19 L20 L21 T25 F26 Y27 L461Y19-L23 HydrophobicContact CE1-CD1 3.83Å; Y19-L23 PolarHBondContact O-N 3.41Å; L20-L23 PolarHBondContact O-N 3.31Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 2.89Å; L23-T25 VanDerWaalsContact C-N 3.28Å; L23-F26 WeakPolarHBondContact O-CB 3.5Å; L23-F26 PolarHBondContact O-N 2.86Å; L23-Y27 PolarHBondContact O-N 3.32Å; L23-Y27 VanDerWaalsContact O-N 3.14Å; L23-L461 HydrophobicContact CB-CD2 3.61Å; L23-L461 HydrophobicContact CD1-CD2 3.8Å; L23-L461 HydrophobicContact CD1-CG 4.21Å; L23-L461 HydrophobicContact CD2-CD1 3.96Å; L23-L461 HydrophobicContact CD2-CD2 3.64Å; L23-L461 HydrophobicContact CD2-CG 3.75Å; L23-L461 HydrophobicContact CG-CD2 3.84Å; L23-L461 HydrophobicContact CG-CG 4.38Å
24A51.3Low52Low36 Ų3680.3 Ų80.330%0.29841%0.409SS..Hα-helixtrans-67-32.2169.600000110.8L20 L21 F26 Y27 I28L20-A24 WeakPolarHBondContact O-CB 3.29Å; L20-A24 PolarHBondContact O-N 2.9Å; L21-A24 PolarHBondContact O-N 3.46Å; A24-F26 PolarHBondContact O-N 3.32Å; A24-Y27 PolarHBondContact O-N 2.89Å; A24-I28 HydrophobicContact CB-CD1 4.3Å; A24-I28 WeakPolarHBondContact O-CB 3.39Å; A24-I28 PolarHBondContact O-N 2.89Å
25T52Low52.4Low48 Ų4882.8 Ų82.829%0.29442%0.418SS..Hα-helixtrans-62.7-16.4168.843.20000112.7L21 D22 L23 F29L21-T25 WeakPolarHBondContact O-CA 3.45Å; L21-T25 VanDerWaalsContact O-CB 3.24Å; L21-T25 WeakPolarHBondContact O-CB 3.39Å; L21-T25 WeakPolarHBondContact O-CG2 3.04Å; L21-T25 PolarHBondContact O-N 2.86Å; L21-T25 PolarHBondContact O-OG1 3.42Å; D22-T25 WeakPolarHBondContact CA-OG1 3.43Å; D22-T25 PolarHBondContact O-OG1 3.42Å; L23-T25 VanDerWaalsContact C-N 3.28Å; T25-F29 VanDerWaalsContact C-CD2 3.42Å; T25-F29 VanDerWaalsContact CA-CD2 3.49Å; T25-F29 VanDerWaalsContact CA-CE2 3.4Å; T25-F29 HydrophobicContact CG2-CD2 4.46Å; T25-F29 HydrophobicContact CG2-CE2 3.5Å; T25-F29 VanDerWaalsContact CG2-CE2 3.5Å; T25-F29 HydrophobicContact CG2-CZ 4.17Å; T25-F29 WeakPolarHBondContact O-CD2 3.18Å; T25-F29 WeakPolarHBondContact O-CE2 3.37Å; T25-F29 WeakPolarHBondContact O-CG 3.15Å
26F49.3Very low52.6Low136 Ų13681.7 Ų81.760%0.59642%0.417SS*.Hα-helixtrans-93.6-38.4174.2-167.3-97.8000112.5L23 A24 F64L23-F26 WeakPolarHBondContact O-CB 3.5Å; L23-F26 PolarHBondContact O-N 2.86Å; A24-F26 PolarHBondContact O-N 3.32Å; F26-F64 HydrophobicContact CE2-CZ 4.48Å
27Y48.5Very low53Low196 Ų19682.2 Ų82.277%0.76942%0.419SS*.Hα-helixtrans-88.1-31.4-174.9-169.2-104.3000114.3L23 A24L23-Y27 PolarHBondContact O-N 3.32Å; L23-Y27 VanDerWaalsContact O-N 3.14Å; A24-Y27 PolarHBondContact O-N 2.89Å
28I48.3Very low53.4Low81 Ų8185.7 Ų85.742%0.41543%0.425SS..SBendtrans-95.45.2-172.3-63.4-177.7000112.1A24 S30 T32 V33A24-I28 HydrophobicContact CB-CD1 4.3Å; A24-I28 WeakPolarHBondContact O-CB 3.39Å; A24-I28 PolarHBondContact O-N 2.89Å; I28-S30 PolarHBondContact O-N 2.81Å; I28-T32 WeakPolarHBondContact CG2-OG1 3.32Å; I28-T32 PolarHBondContact O-OG1 3.33Å; I28-V33 HydrophobicContact CG2-CG2 4.38Å
29F43.7Very low53.7Low72 Ų7286.4 Ų86.432%0.31643%0.429SS..THydrogen-bonded Turntrans-90.287.9-176.3-97.1-104.6000114.2T25 V33 I37T25-F29 VanDerWaalsContact C-CD2 3.42Å; T25-F29 VanDerWaalsContact CA-CD2 3.49Å; T25-F29 VanDerWaalsContact CA-CE2 3.4Å; T25-F29 HydrophobicContact CG2-CD2 4.46Å; T25-F29 HydrophobicContact CG2-CE2 3.5Å; T25-F29 VanDerWaalsContact CG2-CE2 3.5Å; T25-F29 HydrophobicContact CG2-CZ 4.17Å; T25-F29 WeakPolarHBondContact O-CD2 3.18Å; T25-F29 WeakPolarHBondContact O-CE2 3.37Å; T25-F29 WeakPolarHBondContact O-CG 3.15Å; F29-V33 HydrophobicContact CD1-CB 3.68Å; F29-V33 HydrophobicContact CD1-CG1 4.11Å; F29-V33 HydrophobicContact CD1-CG2 4.42Å; F29-V33 HydrophobicContact CD2-CB 3.37Å; F29-V33 HydrophobicContact CD2-CG1 3.91Å; F29-V33 HydrophobicContact CD2-CG2 3.18Å; F29-V33 HydrophobicContact CE1-CB 3.48Å; F29-V33 VanDerWaalsContact CE1-CB 3.48Å; F29-V33 HydrophobicContact CE1-CG1 3.36Å; F29-V33 HydrophobicContact CE1-CG2 4.39Å; F29-V33 HydrophobicContact CE2-CB 3.19Å; F29-V33 HydrophobicContact CE2-CG1 3.16Å; F29-V33 HydrophobicContact CE2-CG2 3.19Å; F29-V33 HydrophobicContact CG-CB 3.7Å; F29-V33 HydrophobicContact CG-CG1 4.4Å; F29-V33 HydrophobicContact CG-CG2 3.93Å; F29-V33 HydrophobicContact CZ-CB 3.32Å; F29-V33 HydrophobicContact CZ-CG1 2.88Å; F29-V33 HydrophobicContact CZ-CG2 3.9Å; F29-I37 HydrophobicContact CE1-CD1 3.62Å; F29-I37 HydrophobicContact CZ-CD1 4.08Å
30S55.1Low54.1Low85 Ų8586.9 Ų86.959%0.59444%0.438SS*.THydrogen-bonded Turntrans-146.4-30.2130.573.60000112.1I28 I34I28-S30 PolarHBondContact O-N 2.81Å; S30-I34 WeakPolarHBondContact O-CD1 3.07Å; S30-I34 WeakPolarHBondContact O-CG1 2.92Å
31R48.3Very low54.3Low207 Ų20789.2 Ų89.278%0.78145%0.45SS*.THydrogen-bonded Turntrans-107.1-59.9179.2-89.1-175.3169.2-170.8-1.9114.3V33 I34 T35R31-V33 VanDerWaalsContact C-N 3.3Å; R31-V33 PolarHBondContact O-N 3.31Å; R31-I34 CarbonylContact O-C 3.58Å; R31-I34 WeakPolarHBondContact O-CA 3.02Å; R31-I34 WeakPolarHBondContact O-CB 3.48Å; R31-I34 PolarHBondContact O-N 3.42Å; R31-T35 PolarHBondContact O-N 2.82Å; R31-T35 PolarHBondContact O-OG1 3.07Å
32T49.7Very low54.8Low82 Ų8288.1 Ų88.150%0.50345%0.451SS..Hα-helixtrans-63.6-34.5-1719.60000113.2I28 T35 S36I28-T32 WeakPolarHBondContact CG2-OG1 3.32Å; I28-T32 PolarHBondContact O-OG1 3.33Å; T32-T35 PolarHBondContact O-N 3.46Å; T32-S36 WeakPolarHBondContact O-CB 3.49Å; T32-S36 PolarHBondContact O-N 3.47Å; T32-S36 PolarHBondContact O-OG 2.73Å
33V54.9Low55Low25 Ų2590.5 Ų90.515%0.15246%0.463CS..Hα-helixtrans-86.4-23.3175.1-161.70000113I28 F29 R31 T35 S36 I37I28-V33 HydrophobicContact CG2-CG2 4.38Å; F29-V33 HydrophobicContact CD1-CB 3.68Å; F29-V33 HydrophobicContact CD1-CG1 4.11Å; F29-V33 HydrophobicContact CD1-CG2 4.42Å; F29-V33 HydrophobicContact CD2-CB 3.37Å; F29-V33 HydrophobicContact CD2-CG1 3.91Å; F29-V33 HydrophobicContact CD2-CG2 3.18Å; F29-V33 HydrophobicContact CE1-CB 3.48Å; F29-V33 VanDerWaalsContact CE1-CB 3.48Å; F29-V33 HydrophobicContact CE1-CG1 3.36Å; F29-V33 HydrophobicContact CE1-CG2 4.39Å; F29-V33 HydrophobicContact CE2-CB 3.19Å; F29-V33 HydrophobicContact CE2-CG1 3.16Å; F29-V33 HydrophobicContact CE2-CG2 3.19Å; F29-V33 HydrophobicContact CG-CB 3.7Å; F29-V33 HydrophobicContact CG-CG1 4.4Å; F29-V33 HydrophobicContact CG-CG2 3.93Å; F29-V33 HydrophobicContact CZ-CB 3.32Å; F29-V33 HydrophobicContact CZ-CG1 2.88Å; F29-V33 HydrophobicContact CZ-CG2 3.9Å; R31-V33 VanDerWaalsContact C-N 3.3Å; R31-V33 PolarHBondContact O-N 3.31Å; V33-T35 VanDerWaalsContact C-N 3.26Å; V33-T35 PolarHBondContact O-N 2.74Å; V33-S36 PolarHBondContact O-N 2.74Å; V33-I37 HydrophobicContact CG1-CD1 3.75Å; V33-I37 HydrophobicContact CG1-CG1 3.79Å; V33-I37 WeakPolarHBondContact O-CA 3.47Å; V33-I37 WeakPolarHBondContact O-CB 3.18Å; V33-I37 WeakPolarHBondContact O-CD1 3.24Å; V33-I37 WeakPolarHBondContact O-CG1 3.2Å; V33-I37 PolarHBondContact O-N 2.72Å
34I63.3Low55.3Low76 Ų7694.4 Ų94.439%0.3949%0.49SS..Hα-helixtrans-61.9-39.8161.7-67.6-171.9000110S30 R31 R38S30-I34 WeakPolarHBondContact O-CD1 3.07Å; S30-I34 WeakPolarHBondContact O-CG1 2.92Å; R31-I34 CarbonylContact O-C 3.58Å; R31-I34 WeakPolarHBondContact O-CA 3.02Å; R31-I34 WeakPolarHBondContact O-CB 3.48Å; R31-I34 PolarHBondContact O-N 3.42Å; I34-R38 HydrophobicContact CG2-CG 4.27Å; I34-R38 WeakPolarHBondContact O-CB 3.28Å; I34-R38 WeakPolarHBondContact O-CG 3.46Å; I34-R38 PolarHBondContact O-N 3.3Å
35T61.6Low55.5Low87 Ų8798.6 Ų98.653%0.53451%0.512SS..Hα-helixtrans-69.5-42.4177.7-38.20000112R31 T32 V33 R38 L39R31-T35 PolarHBondContact O-N 2.82Å; R31-T35 PolarHBondContact O-OG1 3.07Å; T32-T35 PolarHBondContact O-N 3.46Å; V33-T35 VanDerWaalsContact C-N 3.26Å; V33-T35 PolarHBondContact O-N 2.74Å; T35-R38 PolarHBondContact O-N 3.17Å; T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 PolarHBondContact O-N 3.08Å
36S56.2Low56Low65 Ų6599.9 Ų99.946%0.45552%0.522SS..Hα-helixtrans-68.7-40.7176.9-53.60000111.6T32 V33 L39 V40T32-S36 WeakPolarHBondContact O-CB 3.49Å; T32-S36 PolarHBondContact O-N 3.47Å; T32-S36 PolarHBondContact O-OG 2.73Å; V33-S36 PolarHBondContact O-N 2.74Å; S36-L39 PolarHBondContact O-N 3.02Å; S36-V40 WeakPolarHBondContact O-CB 3.47Å; S36-V40 VanDerWaalsContact O-CG2 3.29Å; S36-V40 WeakPolarHBondContact O-CG2 3.32Å; S36-V40 PolarHBondContact O-N 3.4Å
37I59.4Low57.1Low41 Ų41101.3 Ų101.321%0.2153%0.531CS..Hα-helixtrans-62.3-45.5170.9-72.9167.6000109.4F29 V33 L39 V40 L41 F53F29-I37 HydrophobicContact CE1-CD1 3.62Å; F29-I37 HydrophobicContact CZ-CD1 4.08Å; V33-I37 HydrophobicContact CG1-CD1 3.75Å; V33-I37 HydrophobicContact CG1-CG1 3.79Å; V33-I37 WeakPolarHBondContact O-CA 3.47Å; V33-I37 WeakPolarHBondContact O-CB 3.18Å; V33-I37 WeakPolarHBondContact O-CD1 3.24Å; V33-I37 WeakPolarHBondContact O-CG1 3.2Å; V33-I37 PolarHBondContact O-N 2.72Å; I37-L39 VanDerWaalsContact C-N 3.31Å; I37-L39 PolarHBondContact O-N 2.88Å; I37-V40 PolarHBondContact O-N 3.38Å; I37-L41 HydrophobicContact CG2-CD1 3.36Å; I37-L41 HydrophobicContact CG2-CG 3.8Å; I37-L41 WeakPolarHBondContact O-CA 3.38Å; I37-L41 WeakPolarHBondContact O-CB 3.36Å; I37-L41 WeakPolarHBondContact O-CG 3.36Å; I37-L41 PolarHBondContact O-N 3.2Å; I37-F53 HydrophobicContact CG1-CE1 4.33Å
38R62.1Low58.5Low173 Ų17398.2 Ų98.265%0.65353%0.526SS*.Hα-helixtrans-60.1-41.2175.5-81.2176.4-173.5-173.53111.5I34 T35 L41 S42I34-R38 HydrophobicContact CG2-CG 4.27Å; I34-R38 WeakPolarHBondContact O-CB 3.28Å; I34-R38 WeakPolarHBondContact O-CG 3.46Å; I34-R38 PolarHBondContact O-N 3.3Å; T35-R38 PolarHBondContact O-N 3.17Å; R38-L41 CarbonylContact O-C 3.21Å; R38-L41 PolarHBondContact O-N 2.98Å; R38-S42 WeakPolarHBondContact O-CA 3.43Å; R38-S42 WeakPolarHBondContact O-CB 3.22Å; R38-S42 PolarHBondContact O-N 3.25Å; R38-S42 PolarHBondContact O-OG 3.46Å
39L60.1Low59.8Low122 Ų12299.9 Ų99.964%0.63953%0.531SS*.Hα-helixtrans-64.4-45.9178.1-161.890.7000111.5T35 S36 I37 S42 L43T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 PolarHBondContact O-N 3.08Å; S36-L39 PolarHBondContact O-N 3.02Å; I37-L39 VanDerWaalsContact C-N 3.31Å; I37-L39 PolarHBondContact O-N 2.88Å; L39-S42 WeakPolarHBondContact CA-OG 2.74Å; L39-S42 PolarHBondContact O-N 3.15Å; L39-S42 PolarHBondContact O-OG 2.84Å; L39-L43 PolarHBondContact O-N 3.37Å
40V60Low61.4Low66 Ų6697.5 Ų97.540%0.452%0.523SS..Hα-helixtrans-68.3-36.8176.6172.30000111.5S36 I37 F49S36-V40 WeakPolarHBondContact O-CB 3.47Å; S36-V40 VanDerWaalsContact O-CG2 3.29Å; S36-V40 WeakPolarHBondContact O-CG2 3.32Å; S36-V40 PolarHBondContact O-N 3.4Å; I37-V40 PolarHBondContact O-N 3.38Å; V40-F49 HydrophobicContact CG1-CD1 4.15Å; V40-F49 HydrophobicContact CG1-CE1 3.96Å
41L57.8Low62.5Low79 Ų7999.7 Ų99.741%0.41452%0.519SS..Hα-helixtrans-75.8-23.4175.8-69.6-179.6000112.8I37 R38 L43 S50I37-L41 HydrophobicContact CG2-CD1 3.36Å; I37-L41 HydrophobicContact CG2-CG 3.8Å; I37-L41 WeakPolarHBondContact O-CA 3.38Å; I37-L41 WeakPolarHBondContact O-CB 3.36Å; I37-L41 WeakPolarHBondContact O-CG 3.36Å; I37-L41 PolarHBondContact O-N 3.2Å; R38-L41 CarbonylContact O-C 3.21Å; R38-L41 PolarHBondContact O-N 2.98Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-S50 WeakPolarHBondContact CD2-OG 3.18Å
42S63.4Low64.2Low79 Ų7994.7 Ų94.755%0.55251%0.507SS*.Hα-helixtrans-83.6-10.2176.263.30000113.2R38 L39 P44R38-S42 WeakPolarHBondContact O-CA 3.43Å; R38-S42 WeakPolarHBondContact O-CB 3.22Å; R38-S42 PolarHBondContact O-N 3.25Å; R38-S42 PolarHBondContact O-OG 3.46Å; L39-S42 WeakPolarHBondContact CA-OG 2.74Å; L39-S42 PolarHBondContact O-N 3.15Å; L39-S42 PolarHBondContact O-OG 2.84Å; S42-P44 WeakPolarHBondContact O-CD 3.34Å
43L57.6Low65.8Low110 Ų11094 Ų9458%0.57650%0.497SS*.  trans-70.3110.8169.1-74168.6000108.3L39 L41 T45L39-L43 PolarHBondContact O-N 3.37Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.37Å
44P57.8Low67.2Low116 Ų11698.2 Ų98.275%0.75351%0.513SS*.THydrogen-bonded Turntrans-70.7-5.5-167.9-15.129.6000114.3S42S42-P44 WeakPolarHBondContact O-CD 3.34Å
45T57.4Low68.3Low124 Ų124100 Ų10076%0.76152%0.518SS*.THydrogen-bonded Turntrans-100.4-5.7-16323.20000116.3L43L43-T45 PolarHBondContact O-N 3.37Å
46C61.4Low69.6Low75 Ų75100.8 Ų100.851%0.50751%0.512SS..  trans-134.764.3-175.5-69.40000114.3I48 F49 S50C46-I48 PolarHBondContact O-N 2.85Å; C46-I48 VanDerWaalsContact O-N 3.17Å; C46-F49 HydrophobicContact CB-CB 3.61Å; C46-F49 PolarHBondContact O-N 3.07Å; C46-S50 PolarHBondContact O-N 3.05Å
47H72.1Confident71Confident167 Ų167100.6 Ų100.677%0.77351%0.505SS*.Hα-helixtrans-49.6-38168.2-88.4-68.9000112.8S50 Y51H47-S50 PolarHBondContact O-N 2.67Å; H47-Y51 WeakPolarHBondContact O-CB 3.5Å; H47-Y51 PolarHBondContact O-N 2.79Å
48I78.4Confident72.3Confident130 Ų130103.5 Ų103.567%0.66752%0.52SS*.Hα-helixtrans-63.3-45.6176.9-63.2167.9000110.9C46 Y51 L52C46-I48 PolarHBondContact O-N 2.85Å; C46-I48 VanDerWaalsContact O-N 3.17Å; I48-Y51 PolarHBondContact O-N 3.27Å; I48-L52 HydrophobicContact CG2-CD1 3.86Å; I48-L52 HydrophobicContact CG2-CG 4.27Å; I48-L52 WeakPolarHBondContact O-CB 3.4Å; I48-L52 VanDerWaalsContact O-CG 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 2.88Å
49F76.5Confident73.6Confident117 Ų117101 Ų10151%0.51351%0.514SS..Hα-helixtrans-64.7-43.6179.2-172.3-95.6000111.4V40 C46 Y51 L52 F53V40-F49 HydrophobicContact CG1-CD1 4.15Å; V40-F49 HydrophobicContact CG1-CE1 3.96Å; C46-F49 HydrophobicContact CB-CB 3.61Å; C46-F49 PolarHBondContact O-N 3.07Å; F49-Y51 VanDerWaalsContact C-N 3.31Å; F49-Y51 PolarHBondContact O-N 2.9Å; F49-L52 PolarHBondContact O-N 3.28Å; F49-F53 VanDerWaalsContact O-CB 3.23Å; F49-F53 WeakPolarHBondContact O-CB 3.43Å; F49-F53 PolarHBondContact O-N 2.85Å
50S75.9Confident74.8Confident21 Ų2199.4 Ų99.415%0.14750%0.5CS..Hα-helixtrans-57.1-44.7174179.80000111.9L41 C46 H47 K54L41-S50 WeakPolarHBondContact CD2-OG 3.18Å; C46-S50 PolarHBondContact O-N 3.05Å; H47-S50 PolarHBondContact O-N 2.67Å; S50-K54 WeakPolarHBondContact O-CB 3.08Å; S50-K54 VanDerWaalsContact O-CG 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.38Å; S50-K54 PolarHBondContact O-N 3.45Å
51Y78.4Confident76Confident132 Ų13299.6 Ų99.652%0.51850%0.503SS..Hα-helixtrans-65-47.1178.1179.8-99.3000112.6H47 I48 F49 K54 K55H47-Y51 WeakPolarHBondContact O-CB 3.5Å; H47-Y51 PolarHBondContact O-N 2.79Å; I48-Y51 PolarHBondContact O-N 3.27Å; F49-Y51 VanDerWaalsContact C-N 3.31Å; F49-Y51 PolarHBondContact O-N 2.9Å; Y51-K54 PolarHBondContact O-N 3.3Å; Y51-K55 HydrophobicContact CD1-CD 4.22Å; Y51-K55 HydrophobicContact CE1-CD 3.61Å; Y51-K55 HydrophobicContact CE1-CG 4.44Å; Y51-K55 PolarHBondContact O-N 3.02Å; Y51-K55 WeakPolarHBondContact OH-CE 3.11Å; Y51-K55 PolarHBondContact OH-NZ 3.26Å
52L83.6Confident77.5Confident101 Ų101101.2 Ų101.253%0.52951%0.512SS..Hα-helixtrans-62.7-43177-71.9175.3000111.5I48 F49 K55 W56I48-L52 HydrophobicContact CG2-CD1 3.86Å; I48-L52 HydrophobicContact CG2-CG 4.27Å; I48-L52 WeakPolarHBondContact O-CB 3.4Å; I48-L52 VanDerWaalsContact O-CG 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 2.88Å; F49-L52 PolarHBondContact O-N 3.28Å; L52-K55 PolarHBondContact O-N 3.07Å; L52-W56 VanDerWaalsContact O-CB 3.3Å; L52-W56 WeakPolarHBondContact O-CB 3.08Å; L52-W56 PolarHBondContact O-N 2.89Å
53F83.7Confident78.5Confident69 Ų6999.4 Ų99.430%0.30350%0.495SS..Hα-helixtrans-63.7-43.1177.9-176.5-101.1000111.9I37 F49 W56 L57I37-F53 HydrophobicContact CG1-CE1 4.33Å; F49-F53 VanDerWaalsContact O-CB 3.23Å; F49-F53 WeakPolarHBondContact O-CB 3.43Å; F49-F53 PolarHBondContact O-N 2.85Å; F53-W56 HydrophobicContact CD2-CE3 4.12Å; F53-W56 HydrophobicContact CD2-CZ3 4.48Å; F53-W56 AromaticContact CE2-CE3 3.94Å; F53-W56 HydrophobicContact CE2-CE3 3.94Å; F53-W56 AromaticContact CE2-CZ3 3.86Å; F53-W56 HydrophobicContact CE2-CZ3 3.86Å; F53-W56 HydrophobicContact CZ-CZ3 4.44Å; F53-W56 PolarHBondContact O-N 2.85Å; F53-L57 WeakPolarHBondContact O-CB 3.42Å; F53-L57 PolarHBondContact O-N 3.2Å
54K84.7Confident79.8Confident113 Ų11398.8 Ų98.849%0.49149%0.488SS..Hα-helixtrans-60.5-46.2173.8-74.2172.3-175.7177.60111.7S50 Y51 L57 I58S50-K54 WeakPolarHBondContact O-CB 3.08Å; S50-K54 VanDerWaalsContact O-CG 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.38Å; S50-K54 PolarHBondContact O-N 3.45Å; Y51-K54 PolarHBondContact O-N 3.3Å; K54-L57 PolarHBondContact O-N 2.95Å; K54-I58 VanDerWaalsContact O-CG1 3.26Å; K54-I58 WeakPolarHBondContact O-CG1 3.46Å; K54-I58 PolarHBondContact O-N 3.44Å
55K87Confident81.1Confident112 Ų11297 Ų9749%0.48748%0.478SS..Hα-helixtrans-61.5-43.2176.1-82-171.2161.2-178.80112.3Y51 L52 I58 F59Y51-K55 HydrophobicContact CD1-CD 4.22Å; Y51-K55 HydrophobicContact CE1-CD 3.61Å; Y51-K55 HydrophobicContact CE1-CG 4.44Å; Y51-K55 PolarHBondContact O-N 3.02Å; Y51-K55 WeakPolarHBondContact OH-CE 3.11Å; Y51-K55 PolarHBondContact OH-NZ 3.26Å; L52-K55 PolarHBondContact O-N 3.07Å; K55-I58 PolarHBondContact O-N 3.45Å; K55-F59 WeakPolarHBondContact O-CB 3.41Å; K55-F59 PolarHBondContact O-N 3.47Å
56W87.3Confident82.6Confident105 Ų10598.5 Ų98.540%0.39847%0.469SS..Hα-helixtrans-61.6-44.6175.9176.586.4000111.6L52 F53 F59 R60L52-W56 VanDerWaalsContact O-CB 3.3Å; L52-W56 WeakPolarHBondContact O-CB 3.08Å; L52-W56 PolarHBondContact O-N 2.89Å; F53-W56 HydrophobicContact CD2-CE3 4.12Å; F53-W56 HydrophobicContact CD2-CZ3 4.48Å; F53-W56 AromaticContact CE2-CE3 3.94Å; F53-W56 HydrophobicContact CE2-CE3 3.94Å; F53-W56 AromaticContact CE2-CZ3 3.86Å; F53-W56 HydrophobicContact CE2-CZ3 3.86Å; F53-W56 HydrophobicContact CZ-CZ3 4.44Å; F53-W56 PolarHBondContact O-N 2.85Å; W56-F59 PolarHBondContact O-N 2.74Å; W56-R60 HydrophobicContact CD2-CG 4.14Å; W56-R60 HydrophobicContact CH2-CG 4.42Å; W56-R60 HydrophobicContact CZ2-CG 4.06Å; W56-R60 WeakPolarHBondContact O-CB 2.88Å; W56-R60 WeakPolarHBondContact O-CG 3.44Å; W56-R60 PolarHBondContact O-N 3.32Å
57L85.5Confident83.8Confident60 Ų6098.8 Ų98.831%0.31446%0.46SS..Hα-helixtrans-63.5-45.7176.9-174.667.7000111.7F53 K54 F59 R60 C61F53-L57 WeakPolarHBondContact O-CB 3.42Å; F53-L57 PolarHBondContact O-N 3.2Å; K54-L57 PolarHBondContact O-N 2.95Å; L57-F59 PolarHBondContact O-N 3.48Å; L57-R60 WeakPolarHBondContact O-CB 3.33Å; L57-R60 PolarHBondContact O-N 3.36Å; L57-C61 PolarHBondContact O-N 3.31Å; L57-C61 PolarHBondContact O-SG 2.99Å; L57-C61 VanDerWaalsContact O-SG 3.36Å
58I88.3Confident84.5Confident103 Ų10393.3 Ų93.353%0.52843%0.432SS..Hα-helixtrans-59-48.2175.5-69.2164.5000110.3K54 K55 R60 C61 L62K54-I58 VanDerWaalsContact O-CG1 3.26Å; K54-I58 WeakPolarHBondContact O-CG1 3.46Å; K54-I58 PolarHBondContact O-N 3.44Å; K55-I58 PolarHBondContact O-N 3.45Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.33Å; I58-C61 PolarHBondContact O-N 3.48Å; I58-L62 HydrophobicContact CG2-CD1 3.95Å; I58-L62 HydrophobicContact CG2-CG 4.36Å; I58-L62 WeakPolarHBondContact O-CB 3.33Å; I58-L62 WeakPolarHBondContact O-CG 3.41Å; I58-L62 PolarHBondContact O-N 3.21Å
59F89.4Confident85Confident121 Ų12194.4 Ų94.453%0.53143%0.429SS..Hα-helixtrans-56.9-42.7175.9170.5-100.5000111.7K55 W56 L57 L62 L63K55-F59 WeakPolarHBondContact O-CB 3.41Å; K55-F59 PolarHBondContact O-N 3.47Å; W56-F59 PolarHBondContact O-N 2.74Å; L57-F59 PolarHBondContact O-N 3.48Å; F59-L62 PolarHBondContact O-N 2.73Å; F59-L63 HydrophobicContact CE1-CD2 4.31Å; F59-L63 HydrophobicContact CZ-CD2 4.44Å; F59-L63 VanDerWaalsContact O-CB 3.29Å; F59-L63 WeakPolarHBondContact O-CB 3.42Å; F59-L63 PolarHBondContact O-N 3.33Å
60R83.7Confident85.7Confident88 Ų8890.3 Ų90.333%0.33242%0.415SS..Hα-helixtrans-64.9-43.6177.4-72.8-74.7178.2167-2.9112.4D22 W56 L57 I58 L63 F64D22-R60 IonicContact OD2-NH1 3.66Å; W56-R60 HydrophobicContact CD2-CG 4.14Å; W56-R60 HydrophobicContact CH2-CG 4.42Å; W56-R60 HydrophobicContact CZ2-CG 4.06Å; W56-R60 WeakPolarHBondContact O-CB 2.88Å; W56-R60 WeakPolarHBondContact O-CG 3.44Å; W56-R60 PolarHBondContact O-N 3.32Å; L57-R60 WeakPolarHBondContact O-CB 3.33Å; L57-R60 PolarHBondContact O-N 3.36Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.33Å; R60-L63 PolarHBondContact O-N 3.05Å; R60-F64 WeakPolarHBondContact O-CB 3.36Å; R60-F64 PolarHBondContact O-N 3.36Å
61C85.7Confident86.3Confident69 Ų6989.5 Ų89.547%0.46641%0.409SS..Hα-helixtrans-61.5-45.7174.4-68.70000111.4L57 I58 F64 C65L57-C61 PolarHBondContact O-N 3.31Å; L57-C61 PolarHBondContact O-SG 2.99Å; L57-C61 VanDerWaalsContact O-SG 3.36Å; I58-C61 PolarHBondContact O-N 3.48Å; C61-F64 PolarHBondContact O-N 2.9Å; C61-C65 WeakPolarHBondContact O-CB 3.4Å; C61-C65 PolarHBondContact O-N 3.37Å; C61-C65 PolarHBondContact O-SG 3.15Å
62L89.7Confident87Confident114 Ų11488 Ų8860%0.59740%0.404SS*.Hα-helixtrans-62.3-44.5176.9-71.2174.2000111.8I58 F59 F64 C65 W66I58-L62 HydrophobicContact CG2-CD1 3.95Å; I58-L62 HydrophobicContact CG2-CG 4.36Å; I58-L62 WeakPolarHBondContact O-CB 3.33Å; I58-L62 WeakPolarHBondContact O-CG 3.41Å; I58-L62 PolarHBondContact O-N 3.21Å; F59-L62 PolarHBondContact O-N 2.73Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.3Å; L62-C65 PolarHBondContact O-N 3.17Å; L62-W66 WeakPolarHBondContact O-CB 3.4Å; L62-W66 PolarHBondContact O-N 2.97Å
63L85.3Confident87.5Confident41 Ų4189.6 Ų89.622%0.21541%0.406CS..Hα-helixtrans-61.6-42.2176.6-177.565.1000111.3F59 R60 W66 R67F59-L63 HydrophobicContact CE1-CD2 4.31Å; F59-L63 HydrophobicContact CZ-CD2 4.44Å; F59-L63 VanDerWaalsContact O-CB 3.29Å; F59-L63 WeakPolarHBondContact O-CB 3.42Å; F59-L63 PolarHBondContact O-N 3.33Å; R60-L63 PolarHBondContact O-N 3.05Å; L63-W66 HydrophobicContact CD1-CE3 4.04Å; L63-W66 HydrophobicContact CD1-CZ3 4.43Å; L63-W66 PolarHBondContact O-N 2.65Å; L63-R67 VanDerWaalsContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CB 3.39Å; L63-R67 VanDerWaalsContact O-CG 3.26Å; L63-R67 WeakPolarHBondContact O-CG 3.5Å; L63-R67 PolarHBondContact O-N 3Å
64F83.7Confident88Confident96 Ų9689.9 Ų89.942%0.42141%0.405SS..Hα-helixtrans-63-47.8175.2176.3-97.5000111.8F26 R60 C61 L62 W66 R67 R68F26-F64 HydrophobicContact CE2-CZ 4.48Å; R60-F64 WeakPolarHBondContact O-CB 3.36Å; R60-F64 PolarHBondContact O-N 3.36Å; C61-F64 PolarHBondContact O-N 2.9Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.3Å; F64-W66 VanDerWaalsContact C-N 3.32Å; F64-W66 PolarHBondContact O-N 3.21Å; F64-R67 PolarHBondContact O-N 3.38Å; F64-R68 HydrophobicContact CD1-CG 4.19Å; F64-R68 HydrophobicContact CD2-CG 4.32Å; F64-R68 HydrophobicContact CE1-CG 3.81Å; F64-R68 HydrophobicContact CE2-CG 3.96Å; F64-R68 HydrophobicContact CG-CG 4.45Å; F64-R68 HydrophobicContact CZ-CG 3.69Å; F64-R68 WeakPolarHBondContact O-CB 3.46Å; F64-R68 VanDerWaalsContact O-CG 3.28Å; F64-R68 WeakPolarHBondContact O-CG 3.33Å; F64-R68 PolarHBondContact O-N 2.76Å
65C86.4Confident88.5Confident79 Ų7984.7 Ų84.753%0.53438%0.383SS..Hα-helixtrans-58.6-44.2176-72.10000111.6C61 L62 R68 Y69C61-C65 WeakPolarHBondContact O-CB 3.4Å; C61-C65 PolarHBondContact O-N 3.37Å; C61-C65 PolarHBondContact O-SG 3.15Å; L62-C65 PolarHBondContact O-N 3.17Å; C65-R68 PolarHBondContact O-N 3.14Å; C65-Y69 WeakPolarHBondContact O-CB 3.4Å; C65-Y69 PolarHBondContact O-N 3.02Å
66W87.9Confident88.9Confident155 Ų15582.9 Ų82.959%0.58738%0.378SS*.Hα-helixtrans-63.8-45.1177.2178.776.2000112.3L62 L63 F64 Y69 S70L62-W66 WeakPolarHBondContact O-CB 3.4Å; L62-W66 PolarHBondContact O-N 2.97Å; L63-W66 HydrophobicContact CD1-CE3 4.04Å; L63-W66 HydrophobicContact CD1-CZ3 4.43Å; L63-W66 PolarHBondContact O-N 2.65Å; F64-W66 VanDerWaalsContact C-N 3.32Å; F64-W66 PolarHBondContact O-N 3.21Å; W66-Y69 PolarHBondContact O-N 3.49Å; W66-S70 PolarHBondContact O-N 2.93Å
67R86.8Confident89.4Confident82 Ų8284.3 Ų84.331%0.30939%0.387SS..Hα-helixtrans-58.4-48.4174.6-82-177.4169171.9-0.6111.8L63 F64 S70 V71 N447L63-R67 VanDerWaalsContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CB 3.39Å; L63-R67 VanDerWaalsContact O-CG 3.26Å; L63-R67 WeakPolarHBondContact O-CG 3.5Å; L63-R67 PolarHBondContact O-N 3Å; F64-R67 PolarHBondContact O-N 3.38Å; R67-S70 WeakPolarHBondContact O-CB 3.37Å; R67-S70 PolarHBondContact O-N 3.46Å; R67-V71 WeakPolarHBondContact O-CG2 3.35Å; R67-V71 PolarHBondContact O-N 3.38Å; R67-V71 VanDerWaalsContact O-N 3.08Å; R67-N447 HydrophobicContact CB-CB 3.91Å; R67-N447 HydrophobicContact CG-CB 3.75Å; R67-N447 PolarHBondContact NE-OD1 3Å
68R86.6Confident89.9Confident52 Ų5281.7 Ų81.720%0.19637%0.373CS..Hα-helixtrans-61.9-45.7177.3-68.5-68.5-103.5152.44.5111.2F64 C65 S70 V71 Y72F64-R68 HydrophobicContact CD1-CG 4.19Å; F64-R68 HydrophobicContact CD2-CG 4.32Å; F64-R68 HydrophobicContact CE1-CG 3.81Å; F64-R68 HydrophobicContact CE2-CG 3.96Å; F64-R68 HydrophobicContact CG-CG 4.45Å; F64-R68 HydrophobicContact CZ-CG 3.69Å; F64-R68 WeakPolarHBondContact O-CB 3.46Å; F64-R68 VanDerWaalsContact O-CG 3.28Å; F64-R68 WeakPolarHBondContact O-CG 3.33Å; F64-R68 PolarHBondContact O-N 2.76Å; C65-R68 PolarHBondContact O-N 3.14Å; R68-S70 VanDerWaalsContact C-N 3.3Å; R68-S70 PolarHBondContact O-N 3.25Å; R68-V71 PolarHBondContact O-N 2.86Å; R68-V71 VanDerWaalsContact O-N 3.17Å; R68-Y72 VanDerWaalsContact O-CD2 3.27Å; R68-Y72 WeakPolarHBondContact O-CD2 3.25Å; R68-Y72 PolarHBondContact O-N 2.95Å
69Y89.4Confident90.2Very high152 Ų15281.8 Ų81.860%0.59637%0.367SS*.Hα-helixtrans-56.2-44.4174.3174.2-98.9000111.9C65 W66 V71 Y72 K73C65-Y69 WeakPolarHBondContact O-CB 3.4Å; C65-Y69 PolarHBondContact O-N 3.02Å; W66-Y69 PolarHBondContact O-N 3.49Å; Y69-V71 VanDerWaalsContact C-N 3.34Å; Y69-V71 PolarHBondContact O-N 3.05Å; Y69-Y72 PolarHBondContact O-N 2.92Å; Y69-K73 HydrophobicContact CE1-CD 4.27Å; Y69-K73 VanDerWaalsContact O-CB 3.32Å; Y69-K73 WeakPolarHBondContact O-CB 3.49Å; Y69-K73 PolarHBondContact O-N 2.73Å
70S89.6Confident90.6Very high31 Ų3181.3 Ų81.322%0.21737%0.37CS..Hα-helixtrans-61.7-38.6177.5-176.80000113W66 R67 R68 R74W66-S70 PolarHBondContact O-N 2.93Å; R67-S70 WeakPolarHBondContact O-CB 3.37Å; R67-S70 PolarHBondContact O-N 3.46Å; R68-S70 VanDerWaalsContact C-N 3.3Å; R68-S70 PolarHBondContact O-N 3.25Å; S70-R74 PolarHBondContact O-N 3.05Å
71V90.6Very high91.1Very high4 Ų479.8 Ų79.82%0.02437%0.369CS..Hα-helixtrans-69.3-46.6177.6177.10000110.5R67 R68 Y69 K73 R74 L75 T206 N447 I450R67-V71 WeakPolarHBondContact O-CG2 3.35Å; R67-V71 PolarHBondContact O-N 3.38Å; R67-V71 VanDerWaalsContact O-N 3.08Å; R68-V71 PolarHBondContact O-N 2.86Å; R68-V71 VanDerWaalsContact O-N 3.17Å; Y69-V71 VanDerWaalsContact C-N 3.34Å; Y69-V71 PolarHBondContact O-N 3.05Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 2.99Å; V71-R74 PolarHBondContact O-N 3.19Å; V71-R74 VanDerWaalsContact O-N 3.15Å; V71-L75 PolarHBondContact O-N 3.29Å; V71-T206 HydrophobicContact CG1-CG2 3.85Å; V71-N447 HydrophobicContact CG2-CB 4.47Å; V71-I450 HydrophobicContact CG1-CD1 3.83Å; V71-I450 HydrophobicContact CG1-CG1 3.81Å
72Y92.7Very high91.5Very high102 Ų10277.2 Ų77.240%0.435%0.35SS..Hα-helixtrans-61.9-36.4175.9-84.2-75.7000112.7R68 Y69 R74 L75 N76 I450R68-Y72 VanDerWaalsContact O-CD2 3.27Å; R68-Y72 WeakPolarHBondContact O-CD2 3.25Å; R68-Y72 PolarHBondContact O-N 2.95Å; Y69-Y72 PolarHBondContact O-N 2.92Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 2.91Å; Y72-L75 HydrophobicContact CD1-CD2 4.48Å; Y72-L75 PolarHBondContact O-N 3.24Å; Y72-N76 WeakPolarHBondContact O-CB 3.45Å; Y72-N76 VanDerWaalsContact O-CG 3.26Å; Y72-N76 PolarHBondContact O-N 3.42Å; Y72-I450 HydrophobicContact CD1-CD1 3.98Å; Y72-I450 HydrophobicContact CD2-CD1 4.39Å; Y72-I450 HydrophobicContact CE1-CD1 3.77Å; Y72-I450 HydrophobicContact CE2-CD1 4.18Å; Y72-I450 HydrophobicContact CE2-CG1 4.45Å; Y72-I450 HydrophobicContact CG-CD1 4.29Å
73K94Very high91.7Very high133 Ų13376.5 Ų76.558%0.57835%0.35SS*.Hα-helixtrans-60.6-42.2174.6-175.3177.6179.61780111.7Y69 V71 K77Y69-K73 HydrophobicContact CE1-CD 4.27Å; Y69-K73 VanDerWaalsContact O-CB 3.32Å; Y69-K73 WeakPolarHBondContact O-CB 3.49Å; Y69-K73 PolarHBondContact O-N 2.73Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 2.99Å; K73-K77 WeakPolarHBondContact O-CB 3.24Å; K73-K77 PolarHBondContact O-N 2.93Å
74R93.6Very high92.1Very high76 Ų7678 Ų7829%0.28736%0.359SS..Hα-helixtrans-66.5-44.3175.5-71.2-175.2-175.7-164.75.9112.1S70 V71 Y72 K77 K78 T206 I207 N210S70-R74 PolarHBondContact O-N 3.05Å; V71-R74 PolarHBondContact O-N 3.19Å; V71-R74 VanDerWaalsContact O-N 3.15Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 2.91Å; R74-K77 PolarHBondContact O-N 2.9Å; R74-K78 PolarHBondContact O-N 3.5Å; R74-T206 HydrophobicContact CB-CG2 4.4Å; R74-I207 PolarHBondContact NH1-O 2.83Å; R74-N210 PolarHBondContact O-ND2 3.12Å
75L94.9Very high92.6Very high3 Ų375.2 Ų75.22%0.01635%0.347CS..Hα-helixtrans-58.1-50.1177.5-174.659.8000111.5V71 Y72 K78 R79 T206 P248 I249 I450V71-L75 PolarHBondContact O-N 3.29Å; Y72-L75 HydrophobicContact CD1-CD2 4.48Å; Y72-L75 PolarHBondContact O-N 3.24Å; L75-K78 PolarHBondContact O-N 3.24Å; L75-R79 WeakPolarHBondContact O-CG 3.4Å; L75-R79 PolarHBondContact O-N 3.18Å; L75-T206 HydrophobicContact CB-CG2 3.62Å; L75-T206 HydrophobicContact CD1-CG2 4.05Å; L75-T206 HydrophobicContact CG-CG2 4.37Å; L75-P248 HydrophobicContact CD2-CB 4.44Å; L75-I249 HydrophobicContact CD1-CB 4.42Å; L75-I249 HydrophobicContact CD1-CG1 4.03Å; L75-I450 HydrophobicContact CD2-CD1 3.73Å
76N96.3Very high92.8Very high75 Ų7573.1 Ų73.140%0.40133%0.329SS..Hα-helixtrans-63.3-44-179.7-70.1-7.8000110.7Y72 K78 R79 D80Y72-N76 WeakPolarHBondContact O-CB 3.45Å; Y72-N76 VanDerWaalsContact O-CG 3.26Å; Y72-N76 PolarHBondContact O-N 3.42Å; N76-K78 VanDerWaalsContact C-N 3.28Å; N76-K78 PolarHBondContact O-N 3.43Å; N76-R79 PolarHBondContact O-N 3.47Å; N76-R79 VanDerWaalsContact O-N 3.07Å; N76-D80 PolarHBondContact O-N 2.96Å
77K96.8Very high92.9Very high134 Ų13467.2 Ų67.258%0.58332%0.316SS*.Hα-helixtrans-54.7-43.8174.1-173.5-175.2171.4-173.90112.2K73 R74 D80 D81 N210K73-K77 WeakPolarHBondContact O-CB 3.24Å; K73-K77 PolarHBondContact O-N 2.93Å; R74-K77 PolarHBondContact O-N 2.9Å; K77-D80 PolarHBondContact O-N 3.46Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 3.38Å; K77-N210 WeakPolarHBondContact CD-OD1 3.31Å; K77-N210 WeakPolarHBondContact CG-OD1 3.49Å
78K96.5Very high93.2Very high5 Ų569.7 Ų69.72%0.02233%0.325CS..Hα-helixtrans-66.7-39.9177.1179.257178.9-179.20112.1R74 L75 N76 D80 D81 L82 E157 D200 T209 I249R74-K78 PolarHBondContact O-N 3.5Å; L75-K78 PolarHBondContact O-N 3.24Å; N76-K78 VanDerWaalsContact C-N 3.28Å; N76-K78 PolarHBondContact O-N 3.43Å; K78-D80 VanDerWaalsContact C-N 3.34Å; K78-D81 IonicContact NZ-OD2 3.6Å; K78-D81 PolarHBondContact O-N 3.23Å; K78-L82 HydrophobicContact CD-CG 4.25Å; K78-L82 HydrophobicContact CG-CD1 4.35Å; K78-L82 WeakPolarHBondContact O-CG 3.39Å; K78-L82 PolarHBondContact O-N 2.93Å; K78-E157 IonicContact NZ-OE1 3.6Å; K78-E157 IonicContact NZ-OE2 3.75Å; K78-E157 PolarHBondContact NZ-OE2 3.19Å; K78-D200 VanDerWaalsContact CD-OD2 3.3Å; K78-D200 WeakPolarHBondContact CD-OD2 3.49Å; K78-D200 WeakPolarHBondContact CE-OD2 3.2Å; K78-D200 IonicContact NZ-OD2 3.75Å; K78-D200 PolarHBondContact NZ-OD2 2.94Å; K78-D200 VanDerWaalsContact NZ-OD2 3.11Å; K78-T209 HydrophobicContact CB-CG2 4.2Å; K78-T209 HydrophobicContact CG-CG2 4.06Å; K78-I249 HydrophobicContact CG-CG2 4.17Å
79R95Very high93.4Very high106 Ų10667.3 Ų67.340%0.432%0.316SS..Hα-helixtrans-65.3-38.8176.6-72.1174.2174.5175.8-4.1112.3L75 N76 L82 T83 P248L75-R79 WeakPolarHBondContact O-CG 3.4Å; L75-R79 PolarHBondContact O-N 3.18Å; N76-R79 PolarHBondContact O-N 3.47Å; N76-R79 VanDerWaalsContact O-N 3.07Å; R79-L82 PolarHBondContact O-N 3.2Å; R79-T83 WeakPolarHBondContact O-CB 3.49Å; R79-T83 PolarHBondContact O-N 3.34Å; R79-T83 PolarHBondContact O-OG1 3.29Å; R79-P248 PolarHBondContact NH2-O 2.92Å
80D96.4Very high93.3Very high110 Ų11062.5 Ų62.559%0.58830%0.299SS*.Hα-helixtrans-64.7-44.4175.6-62.4-22.4000110.3N76 K77 K78 T83 D84N76-D80 PolarHBondContact O-N 2.96Å; K77-D80 PolarHBondContact O-N 3.46Å; K78-D80 VanDerWaalsContact C-N 3.34Å; D80-T83 PolarHBondContact O-N 2.82Å; D80-D84 PolarHBondContact O-N 3.23Å
81D95.5Very high93.2Very high57 Ų5766.1 Ų66.131%0.30532%0.315SS..Hα-helixtrans-58.3-49.3173.9176.165.7000112.4K77 K78 T83 D84 K85K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 3.38Å; K78-D81 IonicContact NZ-OD2 3.6Å; K78-D81 PolarHBondContact O-N 3.23Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.33Å; D81-D84 PolarHBondContact O-N 3.21Å; D81-K85 WeakPolarHBondContact O-CG 3.32Å; D81-K85 PolarHBondContact O-N 3.33Å; D81-K85 WeakPolarHBondContact OD1-CE 3.32Å; D81-K85 WeakPolarHBondContact OD2-CE 3.44Å; D81-K85 IonicContact OD2-NZ 2.83Å
82L94.2Very high93Very high15 Ų1569 Ų698%0.07933%0.327CS..Hα-helixtrans-60.2-41.1176.1-70.6175.2000111.8K78 R79 K85 H86 E157K78-L82 HydrophobicContact CD-CG 4.25Å; K78-L82 HydrophobicContact CG-CD1 4.35Å; K78-L82 WeakPolarHBondContact O-CG 3.39Å; K78-L82 PolarHBondContact O-N 2.93Å; R79-L82 PolarHBondContact O-N 3.2Å; L82-K85 PolarHBondContact O-N 3.44Å; L82-H86 WeakPolarHBondContact O-CB 3.12Å; L82-H86 PolarHBondContact O-N 2.7Å; L82-H86 PolarHBondContact O-ND1 3.49Å; L82-E157 HydrophobicContact CD2-CB 3.9Å; L82-E157 VanDerWaalsContact CD2-CD 3.48Å; L82-E157 HydrophobicContact CD2-CG 3.57Å; L82-E157 WeakPolarHBondContact CD2-OE2 3.41Å
83T93Very high92.6Very high98 Ų9864.7 Ų64.760%0.60131%0.311SS*.Hα-helixtrans-64.6-42.2178.2-56.80000111.4R79 D80 D81 G87R79-T83 WeakPolarHBondContact O-CB 3.49Å; R79-T83 PolarHBondContact O-N 3.34Å; R79-T83 PolarHBondContact O-OG1 3.29Å; D80-T83 PolarHBondContact O-N 2.82Å; D81-T83 VanDerWaalsContact C-N 3.3Å; D81-T83 PolarHBondContact O-N 3.33Å; T83-G87 PolarHBondContact O-N 2.81Å
84D94.7Very high91.6Very high73 Ų7362.2 Ų62.239%0.3930%0.301SS..Hα-helixtrans-63.2-47.5175.7-177.556.5000111.7D80 D81 H86 G87 R88D80-D84 PolarHBondContact O-N 3.23Å; D81-D84 PolarHBondContact O-N 3.21Å; D84-H86 PolarHBondContact O-N 3.07Å; D84-G87 CarbonylContact O-C 3.56Å; D84-G87 WeakPolarHBondContact O-CA 3.46Å; D84-G87 PolarHBondContact O-N 3.23Å; D84-R88 WeakPolarHBondContact O-CG 3.43Å; D84-R88 PolarHBondContact O-N 3.49Å; D84-R88 IonicContact OD1-NE 3.43Å; D84-R88 IonicContact OD2-CZ 2.89Å; D84-R88 IonicContact OD2-NE 3.69Å; D84-R88 PolarHBondContact OD2-NE 2.88Å; D84-R88 IonicContact OD2-NH2 2.67Å; D84-R88 PolarHBondContact OD2-NH2 2.72Å
85K93Very high90.3Very high38 Ų3861.1 Ų61.117%0.16531%0.313CS..Hα-helixtrans-59.2-44.5176.7-71-176.7-174.5-1700112.4D81 L82 G87 R88 L89 E157D81-K85 WeakPolarHBondContact O-CG 3.32Å; D81-K85 PolarHBondContact O-N 3.33Å; D81-K85 WeakPolarHBondContact OD1-CE 3.32Å; D81-K85 WeakPolarHBondContact OD2-CE 3.44Å; D81-K85 IonicContact OD2-NZ 2.83Å; L82-K85 PolarHBondContact O-N 3.44Å; K85-G87 VanDerWaalsContact C-N 3.3Å; K85-G87 PolarHBondContact O-N 3Å; K85-R88 PolarHBondContact O-N 2.95Å; K85-L89 PolarHBondContact O-N 3.42Å; K85-E157 WeakPolarHBondContact CD-OE1 3.43Å; K85-E157 WeakPolarHBondContact CE-OE1 3.5Å; K85-E157 IonicContact NZ-OE1 3.85Å; K85-E157 PolarHBondContact NZ-OE1 2.97Å
86H91Very high88.5Confident34 Ų3463.6 Ų63.616%0.15733%0.326CS..Hα-helixtrans-63.6-36.8174-62.6147.9000112.1L82 D84 L89 H90 L145 I148L82-H86 WeakPolarHBondContact O-CB 3.12Å; L82-H86 PolarHBondContact O-N 2.7Å; L82-H86 PolarHBondContact O-ND1 3.49Å; D84-H86 PolarHBondContact O-N 3.07Å; H86-L89 PolarHBondContact O-N 2.88Å; H86-H90 WeakPolarHBondContact O-CB 3.23Å; H86-H90 PolarHBondContact O-N 3.19Å; H86-L145 HydrophobicContact CB-CD2 4.27Å; H86-I148 WeakPolarHBondContact NE2-CD1 3.33Å
87G91.3Very high86.4Confident31 Ų3164.2 Ų64.232%0.3233%0.327SS..Hα-helixtrans-60.5-46.517300000112.3T83 D84 K85 H90 I91T83-G87 PolarHBondContact O-N 2.81Å; D84-G87 CarbonylContact O-C 3.56Å; D84-G87 WeakPolarHBondContact O-CA 3.46Å; D84-G87 PolarHBondContact O-N 3.23Å; K85-G87 VanDerWaalsContact C-N 3.3Å; K85-G87 PolarHBondContact O-N 3Å; G87-H90 WeakPolarHBondContact O-CB 2.93Å; G87-H90 PolarHBondContact O-N 2.94Å; G87-I91 WeakPolarHBondContact O-CG1 2.83Å; G87-I91 PolarHBondContact O-N 2.81Å
88R92.2Very high84.7Confident135 Ų13565.1 Ų65.151%0.50934%0.338SS..Hα-helixtrans-62.9-43.6176.7-66.4178-165.8-167.44.5112.4D84 K85 H90 I91 K92 Y160D84-R88 WeakPolarHBondContact O-CG 3.43Å; D84-R88 PolarHBondContact O-N 3.49Å; D84-R88 IonicContact OD1-NE 3.43Å; D84-R88 IonicContact OD2-CZ 2.89Å; D84-R88 IonicContact OD2-NE 3.69Å; D84-R88 PolarHBondContact OD2-NE 2.88Å; D84-R88 IonicContact OD2-NH2 2.67Å; D84-R88 PolarHBondContact OD2-NH2 2.72Å; K85-R88 PolarHBondContact O-N 2.95Å; R88-H90 VanDerWaalsContact C-N 3.31Å; R88-H90 PolarHBondContact O-N 2.93Å; R88-I91 PolarHBondContact O-N 2.74Å; R88-K92 PolarHBondContact O-N 2.92Å; R88-Y160 HydrophobicContact CB-CE2 4.01Å
89L90.3Very high83Confident1 Ų169 Ų691%0.00536%0.357CS..Hα-helixtrans-61.7-41.2173.1-74.5168.5000111.4K85 H86 I91 K92 F93 L145 I158 Y160K85-L89 PolarHBondContact O-N 3.42Å; H86-L89 PolarHBondContact O-N 2.88Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 3.07Å; L89-K92 WeakPolarHBondContact O-CB 3.1Å; L89-K92 PolarHBondContact O-N 3.23Å; L89-F93 HydrophobicContact CD2-CE2 4.45Å; L89-F93 WeakPolarHBondContact O-CD2 3.33Å; L89-F93 PolarHBondContact O-N 3.46Å; L89-F93 VanDerWaalsContact O-N 3.09Å; L89-L145 HydrophobicContact CB-CD1 4.09Å; L89-L145 HydrophobicContact CB-CD2 4.21Å; L89-I158 HydrophobicContact CD1-CB 3.72Å; L89-I158 HydrophobicContact CD1-CD1 4.35Å; L89-I158 HydrophobicContact CD1-CG2 3.64Å; L89-Y160 HydrophobicContact CD2-CD2 3.58Å; L89-Y160 HydrophobicContact CD2-CE2 4.08Å; L89-Y160 HydrophobicContact CG-CD2 3.81Å; L89-Y160 HydrophobicContact CG-CE2 4.37Å
90H87.7Confident82Confident52 Ų5270.1 Ų70.124%0.24137%0.371CS..Hα-helixtrans-62-41.6176.1-172.541.1000111.7H86 G87 R88 F93 Q94 R149H86-H90 WeakPolarHBondContact O-CB 3.23Å; H86-H90 PolarHBondContact O-N 3.19Å; G87-H90 WeakPolarHBondContact O-CB 2.93Å; G87-H90 PolarHBondContact O-N 2.94Å; R88-H90 VanDerWaalsContact C-N 3.31Å; R88-H90 PolarHBondContact O-N 2.93Å; H90-F93 CarbonylContact O-C 3.55Å; H90-F93 PolarHBondContact O-N 3.28Å; H90-Q94 PolarHBondContact CD2-NE2 3.16Å; H90-Q94 VanDerWaalsContact CD2-NE2 3.34Å; H90-Q94 PolarHBondContact NE2-NE2 2.65Å; H90-Q94 WeakPolarHBondContact O-CG 3.19Å; H90-Q94 PolarHBondContact O-N 3.15Å; H90-R149 PolarHBondContact CE1-NH2 3.12Å; H90-R149 PolarHBondContact ND1-NH2 2.56Å; H90-R149 VanDerWaalsContact ND1-NH2 3.18Å
91I87.7Confident80.8Confident107 Ų10769.9 Ų69.955%0.54938%0.378SS..Hα-helixtrans-65.8-42175.4-66.4163.9000111.3G87 R88 L89 F93 Q94G87-I91 WeakPolarHBondContact O-CG1 2.83Å; G87-I91 PolarHBondContact O-N 2.81Å; R88-I91 PolarHBondContact O-N 2.74Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 3.07Å; I91-F93 PolarHBondContact O-N 3.31Å; I91-Q94 WeakPolarHBondContact O-CB 3.25Å; I91-Q94 PolarHBondContact O-N 3.01Å
92K87.2Confident79.7Confident64 Ų6477.2 Ų77.228%0.27840%0.401SS..Hα-helixtrans-51.2-44.5173.4-179.6-178.7173178.30110.4R88 L89 D163R88-K92 PolarHBondContact O-N 2.92Å; L89-K92 WeakPolarHBondContact O-CB 3.1Å; L89-K92 PolarHBondContact O-N 3.23Å; K92-D163 IonicContact NZ-OD2 3.68Å; K92-D163 PolarHBondContact NZ-OD2 3.03Å
93F83.4Confident78.6Confident11 Ų1178.6 Ų78.65%0.04841%0.412CS..Hα-helixtrans-87-5178.3-60.5-56.4000114.8L89 H90 I91 G95 L96 H97 D138 Q141 I142 L145L89-F93 HydrophobicContact CD2-CE2 4.45Å; L89-F93 WeakPolarHBondContact O-CD2 3.33Å; L89-F93 PolarHBondContact O-N 3.46Å; L89-F93 VanDerWaalsContact O-N 3.09Å; H90-F93 CarbonylContact O-C 3.55Å; H90-F93 PolarHBondContact O-N 3.28Å; I91-F93 PolarHBondContact O-N 3.31Å; F93-G95 VanDerWaalsContact C-N 3.27Å; F93-G95 PolarHBondContact O-N 3.16Å; F93-L96 HydrophobicContact CB-CD1 4.32Å; F93-L96 HydrophobicContact CD1-CD1 3.8Å; F93-L96 VanDerWaalsContact O-CB 3.32Å; F93-L96 WeakPolarHBondContact O-CB 3.2Å; F93-L96 PolarHBondContact O-N 2.9Å; F93-H97 PolarHBondContact O-CD2 3.04Å; F93-D138 HydrophobicContact CE1-CB 3.86Å; F93-D138 HydrophobicContact CZ-CB 4.24Å; F93-Q141 HydrophobicContact CE2-CB 3.84Å; F93-Q141 HydrophobicContact CZ-CB 3.86Å; F93-I142 HydrophobicContact CB-CG1 4.49Å; F93-I142 HydrophobicContact CD1-CD1 3.93Å; F93-I142 HydrophobicContact CD1-CG1 3.97Å; F93-I142 HydrophobicContact CD2-CG1 3.82Å; F93-I142 HydrophobicContact CE1-CD1 4.17Å; F93-I142 HydrophobicContact CE1-CG1 4.12Å; F93-I142 HydrophobicContact CE2-CG1 3.98Å; F93-I142 HydrophobicContact CG-CD1 4.19Å; F93-I142 HydrophobicContact CG-CG1 3.82Å; F93-I142 HydrophobicContact CZ-CG1 4.12Å; F93-L145 HydrophobicContact CD2-CD1 3.98Å; F93-L145 HydrophobicContact CE2-CD1 4.41Å
94Q72.3Confident77.5Confident82 Ų8277.5 Ų77.538%0.38340%0.399SS..Hα-helixtrans-70-23.2171.4-83.1173.54.200112.5H90 I91 L96 H97 N98H90-Q94 PolarHBondContact CD2-NE2 3.16Å; H90-Q94 VanDerWaalsContact CD2-NE2 3.34Å; H90-Q94 PolarHBondContact NE2-NE2 2.65Å; H90-Q94 WeakPolarHBondContact O-CG 3.19Å; H90-Q94 PolarHBondContact O-N 3.15Å; I91-Q94 WeakPolarHBondContact O-CB 3.25Å; I91-Q94 PolarHBondContact O-N 3.01Å; Q94-L96 PolarHBondContact O-N 2.89Å; Q94-H97 WeakPolarHBondContact O-CA 3.47Å; Q94-H97 VanDerWaalsContact O-CB 3.25Å; Q94-H97 WeakPolarHBondContact O-CB 3.41Å; Q94-H97 PolarHBondContact O-N 3.11Å; Q94-N98 PolarHBondContact O-N 2.75Å
95G66.2Low76.3Confident52 Ų5280 Ų8054%0.53641%0.408SS..G310 helixtrans-55.2-33.9168.400000112.5F93 H97F93-G95 VanDerWaalsContact C-N 3.27Å; F93-G95 PolarHBondContact O-N 3.16Å; G95-H97 VanDerWaalsContact C-N 3.31Å; G95-H97 PolarHBondContact O-N 2.88Å
96L58.6Low75.3Confident56 Ų5683.2 Ų83.229%0.29343%0.427SS..G310 helixtrans-73-20.7172.5-59.2165.4000112.7F93 Q94 M99 I142F93-L96 HydrophobicContact CB-CD1 4.32Å; F93-L96 HydrophobicContact CD1-CD1 3.8Å; F93-L96 VanDerWaalsContact O-CB 3.32Å; F93-L96 WeakPolarHBondContact O-CB 3.2Å; F93-L96 PolarHBondContact O-N 2.9Å; Q94-L96 PolarHBondContact O-N 2.89Å; L96-M99 HydrophobicContact CD2-CE 3.89Å; L96-M99 WeakPolarHBondContact O-CB 3.3Å; L96-M99 VanDerWaalsContact O-CG 3.32Å; L96-M99 WeakPolarHBondContact O-CG 3.42Å; L96-I142 HydrophobicContact CD1-CD1 4.19Å
97H51.6Low74.6Confident88 Ų8882.9 Ų82.941%0.40743%0.429SS..G310 helixtrans-79.2-21178.4-84.5-100.8000114F93 Q94 G95 M99 K104F93-H97 PolarHBondContact O-CD2 3.04Å; Q94-H97 WeakPolarHBondContact O-CA 3.47Å; Q94-H97 VanDerWaalsContact O-CB 3.25Å; Q94-H97 WeakPolarHBondContact O-CB 3.41Å; Q94-H97 PolarHBondContact O-N 3.11Å; G95-H97 VanDerWaalsContact C-N 3.31Å; G95-H97 PolarHBondContact O-N 2.88Å; H97-M99 PolarHBondContact O-N 2.87Å; H97-K104 PolarHBondContact CE1-NZ 2.99Å; H97-K104 WeakPolarHBondContact ND1-CE 3.2Å; H97-K104 PolarHBondContact ND1-NZ 3.28Å
98N61Low74Confident152 Ų15285 Ų8581%0.81343%0.432SS*.G310 helixtrans-76.50.4173.4-72.5-14000113Q94Q94-N98 PolarHBondContact O-N 2.75Å
99M60.8Low73.5Confident86 Ų8683.2 Ų83.242%0.42443%0.433SS..SBendtrans-72.3149.8172.7-67.6-165.1174.600111.5L96 H97 S103L96-M99 HydrophobicContact CD2-CE 3.89Å; L96-M99 WeakPolarHBondContact O-CB 3.3Å; L96-M99 VanDerWaalsContact O-CG 3.32Å; L96-M99 WeakPolarHBondContact O-CG 3.42Å; H97-M99 PolarHBondContact O-N 2.87Å; M99-S103 WeakPolarHBondContact CB-OG 3.31Å
100D73.9Confident73.2Confident131 Ų13186.6 Ų86.670%0.70145%0.451SS*.  trans-49149.6168.6-70.3-29.2000111.3R102 S103 K104D100-R102 PolarHBondContact O-N 2.95Å; D100-S103 PolarHBondContact N-OG 3.32Å; D100-S103 PolarHBondContact O-N 3.29Å; D100-S103 PolarHBondContact O-OG 2.91Å; D100-K104 PolarHBondContact O-N 3.09Å
101S72.4Confident73.1Confident105 Ų10585.3 Ų85.373%0.73445%0.446SS*.Hα-helixtrans-52-35.6-177.356.80000113.2Q105S101-Q105 PolarHBondContact O-N 3.44Å; S101-Q105 VanDerWaalsContact O-N 3.09Å
102R71.9Confident73.1Confident211 Ų21183.8 Ų83.880%0.79645%0.445SS*.Hα-helixtrans-69.2-44.6178.4-166.2177.9-174.9179.31.2112.9D100 Q105 L106D100-R102 PolarHBondContact O-N 2.95Å; R102-Q105 PolarHBondContact O-N 3.16Å; R102-L106 WeakPolarHBondContact O-CB 3.42Å; R102-L106 PolarHBondContact O-N 3.5Å
103S70.1Confident73.3Confident44 Ų4485.5 Ų85.531%0.30845%0.453SS..Hα-helixtrans-70.7-34.4178.534.90000111.6M99 D100 L106 S107M99-S103 WeakPolarHBondContact CB-OG 3.31Å; D100-S103 PolarHBondContact N-OG 3.32Å; D100-S103 PolarHBondContact O-N 3.29Å; D100-S103 PolarHBondContact O-OG 2.91Å; S103-L106 PolarHBondContact O-N 3.09Å; S103-S107 WeakPolarHBondContact O-CB 3.37Å; S103-S107 PolarHBondContact O-N 3.49Å
104K69.5Low73.7Confident74 Ų7485.7 Ų85.732%0.32246%0.455SS..Hα-helixtrans-61.1-47.7171-173.8-178179.6-171.10112.3H97 D100 L106 S107 L108H97-K104 PolarHBondContact CE1-NZ 2.99Å; H97-K104 WeakPolarHBondContact ND1-CE 3.2Å; H97-K104 PolarHBondContact ND1-NZ 3.28Å; D100-K104 PolarHBondContact O-N 3.09Å; K104-L106 VanDerWaalsContact C-N 3.3Å; K104-L106 PolarHBondContact O-N 3.46Å; K104-S107 PolarHBondContact O-N 3.15Å; K104-L108 HydrophobicContact CG-CD1 4.32Å; K104-L108 WeakPolarHBondContact O-CG 3.28Å; K104-L108 PolarHBondContact O-N 3.32Å
105Q69.8Low74.7Confident126 Ų12682.3 Ų82.359%0.58944%0.44SS*.Hα-helixtrans-64.6-37178.4-168.9171.33.400111.7S101 R102 L108 N109S101-Q105 PolarHBondContact O-N 3.44Å; S101-Q105 VanDerWaalsContact O-N 3.09Å; R102-Q105 PolarHBondContact O-N 3.16Å; Q105-L108 PolarHBondContact O-N 3.02Å; Q105-N109 WeakPolarHBondContact O-CB 3.3Å; Q105-N109 PolarHBondContact O-N 3.25Å; Q105-N109 PolarHBondContact O-ND2 3.48Å
106L73.3Confident76Confident105 Ų10582.6 Ų82.655%0.5543%0.434SS..Hα-helixtrans-64.2-44.2174.8-167.2128.1000112R102 S103 K104 N109 N110R102-L106 WeakPolarHBondContact O-CB 3.42Å; R102-L106 PolarHBondContact O-N 3.5Å; S103-L106 PolarHBondContact O-N 3.09Å; K104-L106 VanDerWaalsContact C-N 3.3Å; K104-L106 PolarHBondContact O-N 3.46Å; L106-N109 PolarHBondContact O-N 2.89Å; L106-N110 WeakPolarHBondContact O-CB 3.49Å; L106-N110 PolarHBondContact O-N 3.03Å; L106-N110 PolarHBondContact O-OD1 3.19Å
107S76.3Confident77.7Confident28 Ų2881.1 Ų81.120%0.19643%0.426CS..Hα-helixtrans-62.4-44.4175.31730000112.5S103 K104 N109 N110 N111S103-S107 WeakPolarHBondContact O-CB 3.37Å; S103-S107 PolarHBondContact O-N 3.49Å; K104-S107 PolarHBondContact O-N 3.15Å; S107-N109 VanDerWaalsContact C-N 3.34Å; S107-N109 PolarHBondContact O-N 3.02Å; S107-N110 PolarHBondContact O-N 3.49Å; S107-N111 VanDerWaalsContact O-CG 3.26Å; S107-N111 PolarHBondContact O-N 3.02Å; S107-N111 PolarHBondContact O-OD1 3.29Å
108L78.2Confident79.7Confident76 Ų7679.1 Ų79.140%0.39842%0.421SS..Hα-helixtrans-62.2-42.1176.8-72.7170.2000112.2K104 Q105 N111 S112K104-L108 HydrophobicContact CG-CD1 4.32Å; K104-L108 WeakPolarHBondContact O-CG 3.28Å; K104-L108 PolarHBondContact O-N 3.32Å; Q105-L108 PolarHBondContact O-N 3.02Å; L108-N111 PolarHBondContact O-N 3.48Å; L108-S112 WeakPolarHBondContact O-CB 3.43Å; L108-S112 PolarHBondContact O-N 2.87Å
109N80.6Confident81.3Confident97 Ų9772.1 Ų72.152%0.51938%0.384SS..Hα-helixtrans-63.1-44.3175.7-73.2-9.2000111.1Q105 L106 S107 N111 S112 E113Q105-N109 WeakPolarHBondContact O-CB 3.3Å; Q105-N109 PolarHBondContact O-N 3.25Å; Q105-N109 PolarHBondContact O-ND2 3.48Å; L106-N109 PolarHBondContact O-N 2.89Å; S107-N109 VanDerWaalsContact C-N 3.34Å; S107-N109 PolarHBondContact O-N 3.02Å; N109-N111 PolarHBondContact O-N 3.03Å; N109-S112 PolarHBondContact O-N 3.41Å; N109-E113 WeakPolarHBondContact O-CB 3.4Å; N109-E113 PolarHBondContact O-N 3.09Å
110N84.3Confident82.9Confident72 Ų7270.9 Ų70.939%0.38538%0.384SS..Hα-helixtrans-60.9-44.9177.4-69.5-3.8000111.6L106 S107 S112 E113 M114L106-N110 WeakPolarHBondContact O-CB 3.49Å; L106-N110 PolarHBondContact O-N 3.03Å; L106-N110 PolarHBondContact O-OD1 3.19Å; S107-N110 PolarHBondContact O-N 3.49Å; N110-S112 PolarHBondContact O-N 3.27Å; N110-E113 WeakPolarHBondContact O-CB 3.21Å; N110-E113 PolarHBondContact O-N 2.85Å; N110-M114 VanDerWaalsContact O-CG 3.27Å; N110-M114 WeakPolarHBondContact O-CG 3.42Å; N110-M114 PolarHBondContact O-N 3.43Å
111N86.6Confident83.8Confident24 Ų2469.1 Ų69.113%0.12837%0.371CS..Hα-helixtrans-63.9-42.4178-67.4-9.7000111.9S107 L108 N109 E113 M114 T115 A139 I142S107-N111 VanDerWaalsContact O-CG 3.26Å; S107-N111 PolarHBondContact O-N 3.02Å; S107-N111 PolarHBondContact O-OD1 3.29Å; L108-N111 PolarHBondContact O-N 3.48Å; N109-N111 PolarHBondContact O-N 3.03Å; N111-E113 VanDerWaalsContact C-N 3.3Å; N111-E113 PolarHBondContact O-N 2.82Å; N111-M114 PolarHBondContact O-N 2.91Å; N111-T115 WeakPolarHBondContact O-CG2 3.38Å; N111-T115 PolarHBondContact O-N 3.21Å; N111-T115 PolarHBondContact O-OG1 3.36Å; N111-A139 HydrophobicContact CB-CB 4.09Å; N111-I142 VanDerWaalsContact ND2-CD1 3.32Å; N111-I142 WeakPolarHBondContact ND2-CD1 3.36Å
112S87.4Confident84.9Confident76 Ų7664.1 Ų64.153%0.53134%0.337SS..Hα-helixtrans-64.9-35.8175-175.80000111.8L108 N109 N110 T115 S116L108-S112 WeakPolarHBondContact O-CB 3.43Å; L108-S112 PolarHBondContact O-N 2.87Å; N109-S112 PolarHBondContact O-N 3.41Å; N110-S112 PolarHBondContact O-N 3.27Å; S112-T115 PolarHBondContact O-OG1 2.91Å; S112-S116 VanDerWaalsContact O-CB 3.25Å; S112-S116 WeakPolarHBondContact O-CB 3.48Å; S112-S116 PolarHBondContact O-N 3.38Å; S112-S116 PolarHBondContact O-OG 3.42Å
113E90.9Very high85.8Confident99 Ų9958.5 Ų58.546%0.46332%0.315SS..Hα-helixtrans-65.5-50.3175.6-159.3-166.8136.900109.7N109 N110 N111 T115 S116 M117 K125N109-E113 WeakPolarHBondContact O-CB 3.4Å; N109-E113 PolarHBondContact O-N 3.09Å; N110-E113 WeakPolarHBondContact O-CB 3.21Å; N110-E113 PolarHBondContact O-N 2.85Å; N111-E113 VanDerWaalsContact C-N 3.3Å; N111-E113 PolarHBondContact O-N 2.82Å; E113-T115 PolarHBondContact O-N 3.01Å; E113-S116 WeakPolarHBondContact O-CA 3.35Å; E113-S116 WeakPolarHBondContact O-CB 3.32Å; E113-S116 PolarHBondContact O-N 3.26Å; E113-S116 PolarHBondContact O-OG 2.92Å; E113-M117 HydrophobicContact CB-CE 4.11Å; E113-M117 HydrophobicContact CG-CE 3.58Å; E113-M117 WeakPolarHBondContact O-CG 3.09Å; E113-M117 PolarHBondContact O-N 2.75Å; E113-M117 VanDerWaalsContact OE1-CE 3.29Å; E113-M117 WeakPolarHBondContact OE1-CE 3.43Å; E113-K125 IonicContact OE1-NZ 3.19Å
114M91.5Very high86.9Confident15 Ų1562 Ų627%0.07433%0.327CS..Hα-helixtrans-57.8-48.8-179.8-70.8173.573.100112.3N110 N111 S116 M117 I131 D135 L136 A139N110-M114 VanDerWaalsContact O-CG 3.27Å; N110-M114 WeakPolarHBondContact O-CG 3.42Å; N110-M114 PolarHBondContact O-N 3.43Å; N111-M114 PolarHBondContact O-N 2.91Å; M114-S116 PolarHBondContact O-N 2.89Å; M114-M117 HydrophobicContact CG-CE 4.44Å; M114-M117 PolarHBondContact O-N 2.84Å; M114-I131 HydrophobicContact CE-CB 4.15Å; M114-I131 HydrophobicContact CE-CD1 4.15Å; M114-I131 HydrophobicContact CE-CG2 4.09Å; M114-D135 HydrophobicContact CE-CB 3.97Å; M114-L136 HydrophobicContact CB-CD1 4.37Å; M114-L136 HydrophobicContact CE-CB 3.97Å; M114-L136 HydrophobicContact CE-CD1 3.77Å; M114-A139 HydrophobicContact CB-CB 4.4Å; M114-A139 HydrophobicContact SD-CB 4.47Å
115T93.3Very high88Confident12 Ų1261.6 Ų61.67%0.07433%0.325CS..Hα-helixtrans-66.1-18.8177.155.40000113N111 S112 E113 A139 Y140 R143N111-T115 WeakPolarHBondContact O-CG2 3.38Å; N111-T115 PolarHBondContact O-N 3.21Å; N111-T115 PolarHBondContact O-OG1 3.36Å; S112-T115 PolarHBondContact O-OG1 2.91Å; E113-T115 PolarHBondContact O-N 3.01Å; T115-A139 HydrophobicContact CG2-CB 4.34Å; T115-Y140 HydrophobicContact CG2-CD1 3.97Å; T115-Y140 HydrophobicContact CG2-CE1 3.85Å; T115-Y140 HydrophobicContact CG2-CG 4.44Å; T115-R143 HydrophobicContact CG2-CB 4.28Å
116S93.6Very high89.1Confident58 Ų5856 Ų5641%0.40630%0.299SS..Hα-helixtrans-87.2-16.317978.90000115.1S112 E113 M114S112-S116 VanDerWaalsContact O-CB 3.25Å; S112-S116 WeakPolarHBondContact O-CB 3.48Å; S112-S116 PolarHBondContact O-N 3.38Å; S112-S116 PolarHBondContact O-OG 3.42Å; E113-S116 WeakPolarHBondContact O-CA 3.35Å; E113-S116 WeakPolarHBondContact O-CB 3.32Å; E113-S116 PolarHBondContact O-N 3.26Å; E113-S116 PolarHBondContact O-OG 2.92Å; M114-S116 PolarHBondContact O-N 2.89Å
117M94.6Very high89.8Confident25 Ų2557.7 Ų57.712%0.12330%0.304CS..SBendtrans-69.6153.1-178.7-70.5172.5-152.400111.9E113 M114 Q121 L122 K125E113-M117 HydrophobicContact CB-CE 4.11Å; E113-M117 HydrophobicContact CG-CE 3.58Å; E113-M117 WeakPolarHBondContact O-CG 3.09Å; E113-M117 PolarHBondContact O-N 2.75Å; E113-M117 VanDerWaalsContact OE1-CE 3.29Å; E113-M117 WeakPolarHBondContact OE1-CE 3.43Å; M114-M117 HydrophobicContact CG-CE 4.44Å; M114-M117 PolarHBondContact O-N 2.84Å; M117-Q121 HydrophobicContact CB-CB 4.13Å; M117-Q121 HydrophobicContact CG-CB 4.49Å; M117-L122 HydrophobicContact CB-CD2 3.9Å; M117-L122 HydrophobicContact CB-CG 3.96Å; M117-L122 HydrophobicContact SD-CD2 4.09Å; M117-K125 HydrophobicContact CE-CD 4.25Å; M117-K125 HydrophobicContact SD-CD 3.75Å
118S94.7Very high90.5Very high45 Ų4561 Ų6132%0.31532%0.32SS..  trans-72.815916959.70000111.5S120 Q121 L122S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.27Å; S118-S120 PolarHBondContact OG-OG 2.94Å; S118-Q121 PolarHBondContact O-N 3.49Å; S118-Q121 VanDerWaalsContact O-N 3.14Å; S118-Q121 VanDerWaalsContact OG-CD 3.26Å; S118-Q121 VanDerWaalsContact OG-CG 3.29Å; S118-Q121 WeakPolarHBondContact OG-CG 3.32Å; S118-Q121 PolarHBondContact OG-OE1 3.46Å; S118-L122 WeakPolarHBondContact O-CG 3.44Å; S118-L122 PolarHBondContact O-N 2.78Å
119L94.3Very high90.9Very high5 Ų563.5 Ų63.53%0.02633%0.327CS..Hα-helixtrans-57-39.9178.8-176.165.6000112.5Q121 L122 R123 I186 L278 D335 D338L119-Q121 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 3.33Å; L119-R123 WeakPolarHBondContact O-CB 3.43Å; L119-R123 PolarHBondContact O-N 2.83Å; L119-I186 HydrophobicContact CD1-CB 4.42Å; L119-I186 HydrophobicContact CD1-CD1 3.99Å; L119-I186 HydrophobicContact CD1-CG1 3.95Å; L119-I186 HydrophobicContact CD1-CG2 3.71Å; L119-L278 HydrophobicContact CD1-CD1 4.16Å; L119-L278 HydrophobicContact CD1-CD2 4.48Å; L119-L278 HydrophobicContact CD1-CG 4.28Å; L119-L278 HydrophobicContact CD2-CD1 4.4Å; L119-L278 HydrophobicContact CD2-CD2 3.92Å; L119-D335 WeakPolarHBondContact CB-OD1 3.42Å; L119-D335 HydrophobicContact CD2-CB 3.78Å; L119-D338 HydrophobicContact CD2-CB 4.3Å
120S92.8Very high91.4Very high61 Ų6162.4 Ų62.443%0.42733%0.327SS..Hα-helixtrans-62.7-41.6177.551.10000112.7S118 R123 E124S118-S120 VanDerWaalsContact C-N 3.26Å; S118-S120 PolarHBondContact O-N 3.27Å; S118-S120 PolarHBondContact OG-OG 2.94Å; S120-R123 PolarHBondContact O-N 3.37Å; S120-E124 WeakPolarHBondContact O-CB 3.32Å; S120-E124 PolarHBondContact O-N 3.49Å
121Q94.7Very high91.7Very high94 Ų9459.8 Ų59.844%0.43931%0.313SS..Hα-helixtrans-66.8-40.7175.6-72.5168.2-40.100111.9M117 S118 L119 E124 K125M117-Q121 HydrophobicContact CB-CB 4.13Å; M117-Q121 HydrophobicContact CG-CB 4.49Å; S118-Q121 PolarHBondContact O-N 3.49Å; S118-Q121 VanDerWaalsContact O-N 3.14Å; S118-Q121 VanDerWaalsContact OG-CD 3.26Å; S118-Q121 VanDerWaalsContact OG-CG 3.29Å; S118-Q121 WeakPolarHBondContact OG-CG 3.32Å; S118-Q121 PolarHBondContact OG-OE1 3.46Å; L119-Q121 PolarHBondContact O-N 3.3Å; Q121-E124 PolarHBondContact O-N 2.84Å; Q121-K125 WeakPolarHBondContact O-CB 3.29Å; Q121-K125 WeakPolarHBondContact O-CG 3.32Å; Q121-K125 PolarHBondContact O-N 3.46Å
122L94.7Very high92.1Very high0 Ų061 Ų610%032%0.321CS..Hα-helixtrans-61.8-46175.9-70.4176.1000111.1M117 S118 L119 E124 K125 L126 I131 L136 I186 P277M117-L122 HydrophobicContact CB-CD2 3.9Å; M117-L122 HydrophobicContact CB-CG 3.96Å; M117-L122 HydrophobicContact SD-CD2 4.09Å; S118-L122 WeakPolarHBondContact O-CG 3.44Å; S118-L122 PolarHBondContact O-N 2.78Å; L119-L122 PolarHBondContact O-N 3.33Å; L122-E124 PolarHBondContact O-N 3.39Å; L122-K125 PolarHBondContact O-N 3.29Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 WeakPolarHBondContact O-CG 3.16Å; L122-L126 PolarHBondContact O-N 2.78Å; L122-I131 HydrophobicContact CD2-CD1 4.19Å; L122-L136 HydrophobicContact CD1-CD1 4.36Å; L122-L136 HydrophobicContact CD1-CD2 4.47Å; L122-L136 HydrophobicContact CD2-CD1 3.7Å; L122-L136 HydrophobicContact CD2-CD2 4.39Å; L122-I186 HydrophobicContact CB-CD1 3.79Å; L122-P277 HydrophobicContact CD1-CB 4.31Å
123R91.8Very high92.4Very high92 Ų9257.4 Ų57.435%0.34730%0.296SS..Hα-helixtrans-58.8-46.6175.4175.5175.957.2-150.9-4.4112L119 S120 K125 L126 H127 D338L119-R123 WeakPolarHBondContact O-CB 3.43Å; L119-R123 PolarHBondContact O-N 2.83Å; S120-R123 PolarHBondContact O-N 3.37Å; R123-K125 VanDerWaalsContact C-N 3.35Å; R123-K125 PolarHBondContact O-N 2.89Å; R123-L126 PolarHBondContact O-N 3.25Å; R123-H127 VanDerWaalsContact O-CB 3.3Å; R123-H127 WeakPolarHBondContact O-CB 3.49Å; R123-H127 PolarHBondContact O-N 2.94Å; R123-D338 IonicContact CZ-OD2 2.73Å; R123-D338 IonicContact NH1-OD1 3.51Å; R123-D338 IonicContact NH1-OD2 2.57Å; R123-D338 PolarHBondContact NH1-OD2 3.23Å; R123-D338 IonicContact NH2-OD2 3.39Å
124E91.9Very high92.5Very high119 Ų11954.5 Ų54.556%0.55629%0.285SS*.Hα-helixtrans-62-43.6177.9-173.6-176.417300111.5S120 Q121 L122 H127 N128S120-E124 WeakPolarHBondContact O-CB 3.32Å; S120-E124 PolarHBondContact O-N 3.49Å; Q121-E124 PolarHBondContact O-N 2.84Å; L122-E124 PolarHBondContact O-N 3.39Å; E124-H127 PolarHBondContact O-N 3.15Å; E124-N128 WeakPolarHBondContact O-CB 3.25Å; E124-N128 VanDerWaalsContact O-CG 3.27Å; E124-N128 PolarHBondContact O-N 2.9Å; E124-N128 PolarHBondContact O-ND2 3.25Å
125K92.9Very high92.5Very high65 Ų6557.4 Ų57.428%0.28330%0.301SS..Hα-helixtrans-65.7-38.2178.1-78.1-160.7179.5-170.70113E113 M117 Q121 L122 R123 K129 S130 I131E113-K125 IonicContact OE1-NZ 3.19Å; M117-K125 HydrophobicContact CE-CD 4.25Å; M117-K125 HydrophobicContact SD-CD 3.75Å; Q121-K125 WeakPolarHBondContact O-CB 3.29Å; Q121-K125 WeakPolarHBondContact O-CG 3.32Å; Q121-K125 PolarHBondContact O-N 3.46Å; L122-K125 PolarHBondContact O-N 3.29Å; R123-K125 VanDerWaalsContact C-N 3.35Å; R123-K125 PolarHBondContact O-N 2.89Å; K125-K129 PolarHBondContact O-N 3.37Å; K125-S130 WeakPolarHBondContact CA-OG 3.36Å; K125-S130 WeakPolarHBondContact CB-OG 3.47Å; K125-S130 WeakPolarHBondContact CG-OG 3.24Å; K125-S130 PolarHBondContact O-N 2.9Å; K125-S130 PolarHBondContact O-OG 3.18Å; K125-I131 HydrophobicContact CB-CD1 3.6Å; K125-I131 HydrophobicContact CB-CG1 3.77Å; K125-I131 HydrophobicContact CD-CD1 4.45Å; K125-I131 HydrophobicContact CD-CG2 4.42Å; K125-I131 PolarHBondContact O-N 2.91Å
126L91.9Very high92.6Very high7 Ų756.8 Ų56.84%0.03730%0.297CS..Hα-helixtrans-66.8-44.3172.8-76.4168.1000111.1L122 R123 N128 K129 I131 L136 R173 I186L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 WeakPolarHBondContact O-CG 3.16Å; L122-L126 PolarHBondContact O-N 2.78Å; R123-L126 PolarHBondContact O-N 3.25Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-N128 PolarHBondContact O-N 3.5Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-K129 VanDerWaalsContact O-N 3.12Å; L126-I131 HydrophobicContact CD2-CD1 4.4Å; L126-I131 HydrophobicContact CD2-CG1 3.9Å; L126-I131 HydrophobicContact CG-CD1 4.14Å; L126-I131 HydrophobicContact CG-CG1 3.99Å; L126-L136 HydrophobicContact CD1-CD2 4.05Å; L126-R173 PolarHBondContact O-NH1 2.94Å; L126-I186 HydrophobicContact CD1-CD1 3.51Å; L126-I186 HydrophobicContact CD1-CG1 4.23Å
127H89.2Confident92.7Very high142 Ų14254 Ų5466%0.65728%0.278SS*.Hα-helixtrans-59.7-44.7177178.4-88.1000111.4R123 E124 K129R123-H127 VanDerWaalsContact O-CB 3.3Å; R123-H127 WeakPolarHBondContact O-CB 3.49Å; R123-H127 PolarHBondContact O-N 2.94Å; E124-H127 PolarHBondContact O-N 3.15Å; H127-K129 PolarHBondContact O-N 3.45Å
128N90.3Very high92.6Very high98 Ų9854.6 Ų54.652%0.52428%0.281SS..THydrogen-bonded Turntrans-77.54.6179.1-64.5-13.4000113.7E124 L126 S130E124-N128 WeakPolarHBondContact O-CB 3.25Å; E124-N128 VanDerWaalsContact O-CG 3.27Å; E124-N128 PolarHBondContact O-N 2.9Å; E124-N128 PolarHBondContact O-ND2 3.25Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-N128 PolarHBondContact O-N 3.5Å; N128-S130 PolarHBondContact O-N 3.4Å
129K87.7Confident92.6Very high127 Ų12752.5 Ų52.555%0.55227%0.267SS*.THydrogen-bonded Turntrans54.524-176.9-57.2-174.9174.5-166.50114.2K125 L126 H127 I131 D174K125-K129 PolarHBondContact O-N 3.37Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-K129 VanDerWaalsContact O-N 3.12Å; H127-K129 PolarHBondContact O-N 3.45Å; K129-I131 VanDerWaalsContact C-N 3.3Å; K129-D174 WeakPolarHBondContact CE-OD1 3.27Å; K129-D174 IonicContact NZ-OD1 3.61Å; K129-D174 PolarHBondContact NZ-OD1 3.45Å
130S89.9Confident92.7Very high75 Ų7552.4 Ų52.452%0.52427%0.266SS..SBendtrans-75.2-25.317666.70000112.4K125 N128K125-S130 WeakPolarHBondContact CA-OG 3.36Å; K125-S130 WeakPolarHBondContact CB-OG 3.47Å; K125-S130 WeakPolarHBondContact CG-OG 3.24Å; K125-S130 PolarHBondContact O-N 2.9Å; K125-S130 PolarHBondContact O-OG 3.18Å; N128-S130 PolarHBondContact O-N 3.4Å
131I92Very high92.8Very high17 Ų1749.5 Ų49.59%0.08725%0.246CC..SBendtrans-133.3149.4171.264-176.6000108.4M114 L122 K125 L126 K129M114-I131 HydrophobicContact CE-CB 4.15Å; M114-I131 HydrophobicContact CE-CD1 4.15Å; M114-I131 HydrophobicContact CE-CG2 4.09Å; L122-I131 HydrophobicContact CD2-CD1 4.19Å; K125-I131 HydrophobicContact CB-CD1 3.6Å; K125-I131 HydrophobicContact CB-CG1 3.77Å; K125-I131 HydrophobicContact CD-CD1 4.45Å; K125-I131 HydrophobicContact CD-CG2 4.42Å; K125-I131 PolarHBondContact O-N 2.91Å; L126-I131 HydrophobicContact CD2-CD1 4.4Å; L126-I131 HydrophobicContact CD2-CG1 3.9Å; L126-I131 HydrophobicContact CG-CD1 4.14Å; L126-I131 HydrophobicContact CG-CG1 3.99Å; K129-I131 VanDerWaalsContact C-N 3.3Å
132T93.1Very high92.7Very high49 Ų4946.2 Ų46.230%0.30123%0.231SC..  trans-94.6162.6171.267.60000111V134 D135 L136 D170T132-V134 PolarHBondContact O-N 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.46Å; T132-D135 PolarHBondContact N-OD2 3.04Å; T132-D135 PolarHBondContact O-N 2.69Å; T132-D135 PolarHBondContact OG1-N 3.19Å; T132-D135 PolarHBondContact OG1-OD2 3.4Å; T132-L136 PolarHBondContact O-N 2.71Å; T132-L136 VanDerWaalsContact O-N 3.16Å; T132-D170 WeakPolarHBondContact CB-OD2 3.49Å
133S94.1Very high92.7Very high1 Ų149.6 Ų49.61%0.00724%0.244CC..Hα-helixtrans-64.8-31.5174.2-500000110.7L136 L137 D170 G185S133-L136 PolarHBondContact O-N 3.5Å; S133-L137 WeakPolarHBondContact O-CB 3.5Å; S133-L137 PolarHBondContact O-N 2.97Å; S133-D170 WeakPolarHBondContact CB-OD1 3.42Å; S133-D170 WeakPolarHBondContact CB-OD2 3.21Å; S133-D170 VanDerWaalsContact N-CG 3.35Å; S133-D170 PolarHBondContact N-OD1 3.45Å; S133-D170 PolarHBondContact N-OD2 3Å; S133-D170 VanDerWaalsContact OG-CG 3.31Å; S133-D170 PolarHBondContact OG-OD1 3.33Å; S133-G185 VanDerWaalsContact OG-CA 3.27Å; S133-G185 WeakPolarHBondContact OG-CA 3.22Å
134V93.4Very high92.9Very high37 Ų3745.2 Ų45.222%0.22423%0.227CC..Hα-helixtrans-65.1-47.1173.9-178.70000111.5T132 L136 L137 D138 A166 I167 D170T132-V134 PolarHBondContact O-N 3.28Å; V134-L136 PolarHBondContact O-N 3.06Å; V134-L137 WeakPolarHBondContact O-CB 3.23Å; V134-L137 PolarHBondContact O-N 2.57Å; V134-D138 PolarHBondContact O-N 2.91Å; V134-A166 HydrophobicContact CB-CB 4.45Å; V134-A166 HydrophobicContact CG2-CB 3.79Å; V134-I167 HydrophobicContact CG2-CG1 3.79Å; V134-D170 PolarHBondContact N-OD2 3.12Å
135D92.5Very high93Very high76 Ų7640.2 Ų40.241%0.40620%0.204SC..Hα-helixtrans-58.6-41.4177.1-60.7-45.7000111M114 T132 A139M114-D135 HydrophobicContact CE-CB 3.97Å; T132-D135 WeakPolarHBondContact CB-OD2 3.46Å; T132-D135 PolarHBondContact N-OD2 3.04Å; T132-D135 PolarHBondContact O-N 2.69Å; T132-D135 PolarHBondContact OG1-N 3.19Å; T132-D135 PolarHBondContact OG1-OD2 3.4Å; D135-A139 WeakPolarHBondContact O-CB 3.29Å; D135-A139 PolarHBondContact O-N 3.14Å; D135-A139 VanDerWaalsContact O-N 3.07Å
136L94.8Very high93Very high0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-68-43.2179.3-169.359.7000111.6M114 L122 L126 T132 S133 V134 A139 Y140 I186 P187M114-L136 HydrophobicContact CB-CD1 4.37Å; M114-L136 HydrophobicContact CE-CB 3.97Å; M114-L136 HydrophobicContact CE-CD1 3.77Å; L122-L136 HydrophobicContact CD1-CD1 4.36Å; L122-L136 HydrophobicContact CD1-CD2 4.47Å; L122-L136 HydrophobicContact CD2-CD1 3.7Å; L122-L136 HydrophobicContact CD2-CD2 4.39Å; L126-L136 HydrophobicContact CD1-CD2 4.05Å; T132-L136 PolarHBondContact O-N 2.71Å; T132-L136 VanDerWaalsContact O-N 3.16Å; S133-L136 PolarHBondContact O-N 3.5Å; V134-L136 PolarHBondContact O-N 3.06Å; L136-A139 PolarHBondContact O-N 3.05Å; L136-Y140 HydrophobicContact CD1-CD2 4.05Å; L136-Y140 HydrophobicContact CD1-CE2 3.57Å; L136-Y140 HydrophobicContact CG-CD2 4.11Å; L136-Y140 HydrophobicContact CG-CE2 3.92Å; L136-Y140 WeakPolarHBondContact O-CD2 3.28Å; L136-Y140 PolarHBondContact O-N 3.34Å; L136-I186 HydrophobicContact CD2-CD1 3.96Å; L136-P187 VanDerWaalsContact CD2-CD 3.49Å; L136-P187 HydrophobicContact CD2-CG 4.41Å; L136-P187 HydrophobicContact CG-CG 4.05Å
137L95.5Very high93.1Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-57.7-50174.4174.468.7000111.4S133 V134 A139 Y140 Q141 A162 D163 A166 I229 V231S133-L137 WeakPolarHBondContact O-CB 3.5Å; S133-L137 PolarHBondContact O-N 2.97Å; V134-L137 WeakPolarHBondContact O-CB 3.23Å; V134-L137 PolarHBondContact O-N 2.57Å; L137-A139 VanDerWaalsContact C-N 3.31Å; L137-A139 PolarHBondContact O-N 3.13Å; L137-Y140 PolarHBondContact O-N 3.31Å; L137-Y140 VanDerWaalsContact O-N 3.12Å; L137-Q141 HydrophobicContact CD1-CG 4.14Å; L137-Q141 HydrophobicContact CG-CG 4.29Å; L137-Q141 PolarHBondContact O-N 3.27Å; L137-A162 HydrophobicContact CD1-CB 3.62Å; L137-A162 HydrophobicContact CD2-CB 3.76Å; L137-A162 WeakPolarHBondContact CD2-O 3.48Å; L137-A162 HydrophobicContact CG-CB 4.31Å; L137-D163 VanDerWaalsContact CD2-CA 3.46Å; L137-D163 HydrophobicContact CD2-CB 4.14Å; L137-D163 VanDerWaalsContact CD2-N 3.31Å; L137-A166 HydrophobicContact CB-CB 4.33Å; L137-A166 HydrophobicContact CD2-CB 3.9Å; L137-I229 HydrophobicContact CD1-CG2 3.97Å; L137-V231 HydrophobicContact CD1-CB 3.86Å; L137-V231 HydrophobicContact CD1-CG2 3.47Å; L137-V231 VanDerWaalsContact CD1-CG2 3.47Å
138D93.2Very high93.3Very high37 Ų3736 Ų3620%0.19819%0.187CC..Hα-helixtrans-60.8-41.6-178.3-78.7-10.2000111.1F93 V134 Y140 Q141 I142F93-D138 HydrophobicContact CE1-CB 3.86Å; F93-D138 HydrophobicContact CZ-CB 4.24Å; V134-D138 PolarHBondContact O-N 2.91Å; D138-Y140 VanDerWaalsContact C-N 3.32Å; D138-Y140 PolarHBondContact O-N 3.38Å; D138-Q141 PolarHBondContact O-N 3.49Å; D138-I142 WeakPolarHBondContact O-CB 3.45Å; D138-I142 VanDerWaalsContact O-CG1 3.25Å; D138-I142 WeakPolarHBondContact O-CG1 3.37Å; D138-I142 PolarHBondContact O-N 3.22Å
139A94Very high93.4Very high1 Ų138.7 Ų38.71%0.00819%0.19CC..Hα-helixtrans-58.1-42.817500000112.2N111 M114 T115 D135 L136 L137 R143N111-A139 HydrophobicContact CB-CB 4.09Å; M114-A139 HydrophobicContact CB-CB 4.4Å; M114-A139 HydrophobicContact SD-CB 4.47Å; T115-A139 HydrophobicContact CG2-CB 4.34Å; D135-A139 WeakPolarHBondContact O-CB 3.29Å; D135-A139 PolarHBondContact O-N 3.14Å; D135-A139 VanDerWaalsContact O-N 3.07Å; L136-A139 PolarHBondContact O-N 3.05Å; L137-A139 VanDerWaalsContact C-N 3.31Å; L137-A139 PolarHBondContact O-N 3.13Å; A139-R143 WeakPolarHBondContact O-CB 3.4Å; A139-R143 PolarHBondContact O-N 2.94Å
140Y96.2Very high93.6Very high2 Ų237.4 Ų37.41%0.00819%0.192CC..Hα-helixtrans-75.6-33.6177.8-77.9-69.4000113.6T115 L136 L137 D138 R143 G144 P187 K274 G275 P277T115-Y140 HydrophobicContact CG2-CD1 3.97Å; T115-Y140 HydrophobicContact CG2-CE1 3.85Å; T115-Y140 HydrophobicContact CG2-CG 4.44Å; L136-Y140 HydrophobicContact CD1-CD2 4.05Å; L136-Y140 HydrophobicContact CD1-CE2 3.57Å; L136-Y140 HydrophobicContact CG-CD2 4.11Å; L136-Y140 HydrophobicContact CG-CE2 3.92Å; L136-Y140 WeakPolarHBondContact O-CD2 3.28Å; L136-Y140 PolarHBondContact O-N 3.34Å; L137-Y140 PolarHBondContact O-N 3.31Å; L137-Y140 VanDerWaalsContact O-N 3.12Å; D138-Y140 VanDerWaalsContact C-N 3.32Å; D138-Y140 PolarHBondContact O-N 3.38Å; Y140-R143 PolarHBondContact O-N 3.34Å; Y140-G144 PolarHBondContact O-N 3.04Å; Y140-P187 HydrophobicContact CD2-CB 4.02Å; Y140-P187 HydrophobicContact CD2-CG 3.77Å; Y140-P187 HydrophobicContact CE2-CG 4.38Å; Y140-P187 HydrophobicContact CG-CB 4.47Å; Y140-K274 WeakPolarHBondContact CE1-O 3.24Å; Y140-G275 VanDerWaalsContact CD1-O 3.28Å; Y140-G275 WeakPolarHBondContact CD1-O 3.28Å; Y140-P277 HydrophobicContact CE1-CG 4.48Å; Y140-P277 HydrophobicContact CE2-CG 3.97Å; Y140-P277 WeakPolarHBondContact OH-CB 3.5Å
141Q95.2Very high93.5Very high0 Ų043.2 Ų43.20%020%0.203CC..Hα-helixtrans-65.2-44.1172.7-74.1-171.2-26.300111.3F93 L137 D138 R143 G144 L145 I158 I159 V231F93-Q141 HydrophobicContact CE2-CB 3.84Å; F93-Q141 HydrophobicContact CZ-CB 3.86Å; L137-Q141 HydrophobicContact CD1-CG 4.14Å; L137-Q141 HydrophobicContact CG-CG 4.29Å; L137-Q141 PolarHBondContact O-N 3.27Å; D138-Q141 PolarHBondContact O-N 3.49Å; Q141-R143 VanDerWaalsContact C-N 3.33Å; Q141-R143 PolarHBondContact O-N 3.07Å; Q141-G144 PolarHBondContact O-N 3.04Å; Q141-L145 PolarHBondContact O-N 2.84Å; Q141-I158 HydrophobicContact CB-CG2 4.45Å; Q141-I158 HydrophobicContact CG-CG2 3.99Å; Q141-I159 PolarHBondContact NE2-O 2.84Å; Q141-V231 HydrophobicContact CG-CG2 3.74Å
142I93.2Very high93.4Very high25 Ų2542.7 Ų42.713%0.12820%0.201CC..Hα-helixtrans-60.3-46.2174.5-69.9166.1000110F93 L96 N111 D138 G144 L145 E146F93-I142 HydrophobicContact CB-CG1 4.49Å; F93-I142 HydrophobicContact CD1-CD1 3.93Å; F93-I142 HydrophobicContact CD1-CG1 3.97Å; F93-I142 HydrophobicContact CD2-CG1 3.82Å; F93-I142 HydrophobicContact CE1-CD1 4.17Å; F93-I142 HydrophobicContact CE1-CG1 4.12Å; F93-I142 HydrophobicContact CE2-CG1 3.98Å; F93-I142 HydrophobicContact CG-CD1 4.19Å; F93-I142 HydrophobicContact CG-CG1 3.82Å; F93-I142 HydrophobicContact CZ-CG1 4.12Å; L96-I142 HydrophobicContact CD1-CD1 4.19Å; N111-I142 VanDerWaalsContact ND2-CD1 3.32Å; N111-I142 WeakPolarHBondContact ND2-CD1 3.36Å; D138-I142 WeakPolarHBondContact O-CB 3.45Å; D138-I142 VanDerWaalsContact O-CG1 3.25Å; D138-I142 WeakPolarHBondContact O-CG1 3.37Å; D138-I142 PolarHBondContact O-N 3.22Å; I142-G144 VanDerWaalsContact C-N 3.3Å; I142-G144 PolarHBondContact O-N 2.73Å; I142-L145 WeakPolarHBondContact O-CB 3.45Å; I142-L145 PolarHBondContact O-N 2.77Å; I142-L145 VanDerWaalsContact O-N 3.17Å; I142-E146 PolarHBondContact O-N 2.84Å; I142-E146 VanDerWaalsContact O-N 3.08Å
143R94.3Very high93.5Very high72 Ų7243.1 Ų43.127%0.27220%0.201SC..Hα-helixtrans-60.1-40.8175.9-174.956.6174.6176.2-2.4112.1T115 A139 Y140 Q141 L145 E146 L147 H273T115-R143 HydrophobicContact CG2-CB 4.28Å; A139-R143 WeakPolarHBondContact O-CB 3.4Å; A139-R143 PolarHBondContact O-N 2.94Å; Y140-R143 PolarHBondContact O-N 3.34Å; Q141-R143 VanDerWaalsContact C-N 3.33Å; Q141-R143 PolarHBondContact O-N 3.07Å; R143-L145 PolarHBondContact O-N 2.9Å; R143-E146 WeakPolarHBondContact CD-OE2 3.39Å; R143-E146 IonicContact CZ-OE2 3.73Å; R143-E146 IonicContact NH1-OE2 2.73Å; R143-E146 PolarHBondContact NH1-OE2 2.92Å; R143-E146 WeakPolarHBondContact O-CB 3.23Å; R143-E146 PolarHBondContact O-N 2.83Å; R143-L147 WeakPolarHBondContact O-CG 3.3Å; R143-L147 PolarHBondContact O-N 3.34Å; R143-L147 VanDerWaalsContact O-N 3.1Å; R143-H273 PolarHBondContact NE-O 2.97Å; R143-H273 PolarHBondContact NH2-O 3.2Å
144G95.3Very high93.6Very high0 Ų043 Ų430%020%0.201CC..Hα-helixtrans-58-45.5174.100000112.5Y140 Q141 I142 E146 L147 I148 I155Y140-G144 PolarHBondContact O-N 3.04Å; Q141-G144 PolarHBondContact O-N 3.04Å; I142-G144 VanDerWaalsContact C-N 3.3Å; I142-G144 PolarHBondContact O-N 2.73Å; G144-E146 VanDerWaalsContact C-N 3.32Å; G144-E146 PolarHBondContact O-N 3.2Å; G144-L147 PolarHBondContact O-N 3.16Å; G144-L147 VanDerWaalsContact O-N 3.16Å; G144-I148 WeakPolarHBondContact O-CG1 3.33Å; G144-I148 PolarHBondContact O-N 3.49Å; G144-I155 WeakPolarHBondContact O-CD1 3.29Å
145L93.9Very high93.8Very high14 Ų1441.8 Ų41.87%0.07319%0.193CC..Hα-helixtrans-62.1-37.4176.6-69.1174000112.6H86 L89 F93 Q141 I142 R143 I148 R149 I158H86-L145 HydrophobicContact CB-CD2 4.27Å; L89-L145 HydrophobicContact CB-CD1 4.09Å; L89-L145 HydrophobicContact CB-CD2 4.21Å; F93-L145 HydrophobicContact CD2-CD1 3.98Å; F93-L145 HydrophobicContact CE2-CD1 4.41Å; Q141-L145 PolarHBondContact O-N 2.84Å; I142-L145 WeakPolarHBondContact O-CB 3.45Å; I142-L145 PolarHBondContact O-N 2.77Å; I142-L145 VanDerWaalsContact O-N 3.17Å; R143-L145 PolarHBondContact O-N 2.9Å; L145-I148 PolarHBondContact O-N 3.3Å; L145-R149 WeakPolarHBondContact O-CG 3.5Å; L145-R149 PolarHBondContact O-N 2.88Å; L145-R149 VanDerWaalsContact O-N 3.15Å; L145-I158 HydrophobicContact CD2-CD1 3.94Å; L145-I158 HydrophobicContact CG-CD1 4.07Å
146E92.8Very high94Very high69 Ų6938.6 Ų38.632%0.32218%0.177SC..Hα-helixtrans-61.6-44.1173.3-66.7175.6171.500111.6I142 R143 G144 I148 R149 T150I142-E146 PolarHBondContact O-N 2.84Å; I142-E146 VanDerWaalsContact O-N 3.08Å; R143-E146 WeakPolarHBondContact CD-OE2 3.39Å; R143-E146 IonicContact CZ-OE2 3.73Å; R143-E146 IonicContact NH1-OE2 2.73Å; R143-E146 PolarHBondContact NH1-OE2 2.92Å; R143-E146 WeakPolarHBondContact O-CB 3.23Å; R143-E146 PolarHBondContact O-N 2.83Å; G144-E146 VanDerWaalsContact C-N 3.32Å; G144-E146 PolarHBondContact O-N 3.2Å; E146-I148 VanDerWaalsContact C-N 3.32Å; E146-I148 PolarHBondContact O-N 3.07Å; E146-R149 WeakPolarHBondContact O-CB 3.48Å; E146-R149 PolarHBondContact O-N 3.43Å; E146-R149 VanDerWaalsContact O-N 3.16Å; E146-T150 WeakPolarHBondContact O-CG2 3.38Å; E146-T150 PolarHBondContact O-N 2.94Å
147L94.4Very high94Very high5 Ų538.8 Ų38.83%0.02618%0.177CC..Hα-helixtrans-69.1-29.2-179-64.3178.6000113.7R143 G144 T150 R151 S152 I155 L270 H273R143-L147 WeakPolarHBondContact O-CG 3.3Å; R143-L147 PolarHBondContact O-N 3.34Å; R143-L147 VanDerWaalsContact O-N 3.1Å; G144-L147 PolarHBondContact O-N 3.16Å; G144-L147 VanDerWaalsContact O-N 3.16Å; L147-T150 WeakPolarHBondContact CA-OG1 3.22Å; L147-T150 PolarHBondContact O-OG1 2.75Å; L147-R151 PolarHBondContact O-N 3.24Å; L147-S152 PolarHBondContact O-N 3.19Å; L147-S152 PolarHBondContact O-OG 3.38Å; L147-I155 HydrophobicContact CB-CD1 4.02Å; L147-I155 HydrophobicContact CD1-CD1 4.37Å; L147-L270 HydrophobicContact CD1-CD1 3.86Å; L147-H273 HydrophobicContact CD1-CB 3.71Å; L147-H273 HydrophobicContact CD2-CB 3.64Å; L147-H273 HydrophobicContact CG-CB 4.34Å
148I93.9Very high94.1Very high52 Ų5238.8 Ų38.827%0.26718%0.177SC..Hα-helixtrans-68.7-41.8171.4-67.4167.5000109.9H86 G144 L145 E146 T150 R151 I155 I158H86-I148 WeakPolarHBondContact NE2-CD1 3.33Å; G144-I148 WeakPolarHBondContact O-CG1 3.33Å; G144-I148 PolarHBondContact O-N 3.49Å; L145-I148 PolarHBondContact O-N 3.3Å; E146-I148 VanDerWaalsContact C-N 3.32Å; E146-I148 PolarHBondContact O-N 3.07Å; I148-T150 VanDerWaalsContact C-N 3.34Å; I148-T150 PolarHBondContact O-N 3.46Å; I148-R151 PolarHBondContact O-N 2.94Å; I148-R151 VanDerWaalsContact O-N 3.09Å; I148-I155 HydrophobicContact CD1-CG2 4.07Å; I148-I155 HydrophobicContact CG1-CB 4.21Å; I148-I155 HydrophobicContact CG1-CD1 4.24Å; I148-I155 HydrophobicContact CG1-CG2 4.28Å; I148-I158 HydrophobicContact CD1-CD1 3.65Å; I148-I158 HydrophobicContact CD1-CG1 4.06Å
149R92.1Very high94.2Very high154 Ų15437.2 Ų37.258%0.58117%0.169SC*.Hα-helixtrans-64.3-36.7177.1-73.3172.7175.7159.80.4112.7H90 L145 E146 R151H90-R149 PolarHBondContact CE1-NH2 3.12Å; H90-R149 PolarHBondContact ND1-NH2 2.56Å; H90-R149 VanDerWaalsContact ND1-NH2 3.18Å; L145-R149 WeakPolarHBondContact O-CG 3.5Å; L145-R149 PolarHBondContact O-N 2.88Å; L145-R149 VanDerWaalsContact O-N 3.15Å; E146-R149 WeakPolarHBondContact O-CB 3.48Å; E146-R149 PolarHBondContact O-N 3.43Å; E146-R149 VanDerWaalsContact O-N 3.16Å; R149-R151 PolarHBondContact O-N 2.9Å
150T92Very high94.1Very high99 Ų9940.9 Ų40.961%0.60718%0.183SC*.THydrogen-bonded Turntrans-75.4-3.2175.561.10000113.6E146 L147 I148 S152E146-T150 WeakPolarHBondContact O-CG2 3.38Å; E146-T150 PolarHBondContact O-N 2.94Å; L147-T150 WeakPolarHBondContact CA-OG1 3.22Å; L147-T150 PolarHBondContact O-OG1 2.75Å; I148-T150 VanDerWaalsContact C-N 3.34Å; I148-T150 PolarHBondContact O-N 3.46Å; T150-S152 VanDerWaalsContact C-N 3.28Å; T150-S152 PolarHBondContact O-N 3.01Å
151R88.7Confident93.9Very high197 Ų19745.1 Ų45.174%0.74320%0.203SC*.THydrogen-bonded Turntrans57.238.1179.6-58.6-177.3176.4168.5-0.5113.6L147 I148 R149 N153L147-R151 PolarHBondContact O-N 3.24Å; I148-R151 PolarHBondContact O-N 2.94Å; I148-R151 VanDerWaalsContact O-N 3.09Å; R149-R151 PolarHBondContact O-N 2.9Å; R151-N153 PolarHBondContact O-N 2.9Å
152S89.2Confident93.9Very high7 Ų745.1 Ų45.15%0.04920%0.203CC..  trans-62.2-24.9170.759.80000112.8L147 T150 C154 T253 S254L147-S152 PolarHBondContact O-N 3.19Å; L147-S152 PolarHBondContact O-OG 3.38Å; T150-S152 VanDerWaalsContact C-N 3.28Å; T150-S152 PolarHBondContact O-N 3.01Å; S152-C154 PolarHBondContact O-N 3.2Å; S152-C154 PolarHBondContact OG-SG 3.31Å; S152-T253 WeakPolarHBondContact O-CA 3.44Å; S152-S254 PolarHBondContact O-N 3.49Å
153N95.1Very high93.9Very high57 Ų5745.9 Ų45.931%0.30521%0.207SC..  trans51.422-175.9-56.2-27.9000113.9R151 I155 N235 L252 T253R151-N153 PolarHBondContact O-N 2.9Å; N153-I155 VanDerWaalsContact C-N 3.34Å; N153-N235 WeakPolarHBondContact O-CB 3.35Å; N153-N235 PolarHBondContact O-ND2 3.47Å; N153-L252 VanDerWaalsContact CB-O 3.27Å; N153-L252 WeakPolarHBondContact CB-O 3.39Å; N153-L252 PolarHBondContact ND2-O 2.74Å; N153-T253 PolarHBondContact O-OG1 2.84Å
154C96.8Very high93.9Very high0 Ų046.1 Ų46.10%022%0.217CC..  trans-81.5-17.8175.264.50000112.6S152 T234 N235 T253 G266 P269S152-C154 PolarHBondContact O-N 3.2Å; S152-C154 PolarHBondContact OG-SG 3.31Å; C154-T234 WeakPolarHBondContact O-CA 3.27Å; C154-N235 PolarHBondContact O-N 2.92Å; C154-T253 HydrophobicContact CB-CG2 3.86Å; C154-G266 WeakPolarHBondContact CB-O 3.24Å; C154-G266 WeakPolarHBondContact O-CA 3.32Å; C154-P269 HydrophobicContact CB-CB 3.94Å
155I97.4Very high93.8Very high11 Ų1149.4 Ų49.46%0.05623%0.23CC..EExtended strand (participates in β ladder)trans-99.8130.5178.4-62174000109G144 L147 I148 N153 I158 I232 L270G144-I155 WeakPolarHBondContact O-CD1 3.29Å; L147-I155 HydrophobicContact CB-CD1 4.02Å; L147-I155 HydrophobicContact CD1-CD1 4.37Å; I148-I155 HydrophobicContact CD1-CG2 4.07Å; I148-I155 HydrophobicContact CG1-CB 4.21Å; I148-I155 HydrophobicContact CG1-CD1 4.24Å; I148-I155 HydrophobicContact CG1-CG2 4.28Å; N153-I155 VanDerWaalsContact C-N 3.34Å; I155-I158 HydrophobicContact CG2-CG1 4.09Å; I155-I232 HydrophobicContact CB-CG2 4.41Å; I155-I232 HydrophobicContact CD1-CD1 4.11Å; I155-I232 HydrophobicContact CD1-CG2 4.45Å; I155-I232 HydrophobicContact CG1-CG2 3.91Å; I155-I232 HydrophobicContact CG2-CG2 4.02Å; I155-L270 HydrophobicContact CD1-CD1 3.98Å; I155-L270 HydrophobicContact CG1-CD1 3.84Å
156S96.1Very high93.9Very high9 Ų948.8 Ų48.86%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-86.4-51.3168.5-169.20000110.7L233 T250S156-L233 WeakPolarHBondContact CA-O 3.49Å; S156-L233 WeakPolarHBondContact CB-O 3.4Å; S156-L233 PolarHBondContact N-O 3.49Å; S156-T250 WeakPolarHBondContact OG-CG2 3.35Å
157E95.7Very high94Very high3 Ų350 Ų501%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-155.2145.8-176.2-166.1161.5172.800110.3K78 L82 K85 Y199 L233K78-E157 IonicContact NZ-OE1 3.6Å; K78-E157 IonicContact NZ-OE2 3.75Å; K78-E157 PolarHBondContact NZ-OE2 3.19Å; L82-E157 HydrophobicContact CD2-CB 3.9Å; L82-E157 VanDerWaalsContact CD2-CD 3.48Å; L82-E157 HydrophobicContact CD2-CG 3.57Å; L82-E157 WeakPolarHBondContact CD2-OE2 3.41Å; K85-E157 WeakPolarHBondContact CD-OE1 3.43Å; K85-E157 WeakPolarHBondContact CE-OE1 3.5Å; K85-E157 IonicContact NZ-OE1 3.85Å; K85-E157 PolarHBondContact NZ-OE1 2.97Å; E157-Y199 HydrophobicContact CG-CD1 4.12Å; E157-Y199 HydrophobicContact CG-CE1 4.1Å; E157-L233 HydrophobicContact CB-CB 4.34Å; E157-L233 HydrophobicContact CB-CD1 4.48Å; E157-L233 PolarHBondContact N-O 2.91Å; E157-L233 PolarHBondContact O-N 3.02Å
158I96.6Very high93.9Very high1 Ų154.2 Ų54.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-99.4131.5171.5-58175.5000107.7L89 Q141 L145 I148 I155 Y160 I232L89-I158 HydrophobicContact CD1-CB 3.72Å; L89-I158 HydrophobicContact CD1-CD1 4.35Å; L89-I158 HydrophobicContact CD1-CG2 3.64Å; Q141-I158 HydrophobicContact CB-CG2 4.45Å; Q141-I158 HydrophobicContact CG-CG2 3.99Å; L145-I158 HydrophobicContact CD2-CD1 3.94Å; L145-I158 HydrophobicContact CG-CD1 4.07Å; I148-I158 HydrophobicContact CD1-CD1 3.65Å; I148-I158 HydrophobicContact CD1-CG1 4.06Å; I155-I158 HydrophobicContact CG2-CG1 4.09Å; I158-Y160 PolarHBondContact O-N 3.04Å; I158-I232 HydrophobicContact CG1-CG1 4.46Å
159I96.1Very high93.8Very high4 Ų452 Ų522%0.02125%0.246CC..  trans-75.9115-178-62.9168.1000108.5Q141 A162 I196 Y199 P230 V231 L233Q141-I159 PolarHBondContact NE2-O 2.84Å; I159-A162 HydrophobicContact CB-CB 4.33Å; I159-A162 HydrophobicContact CG2-CB 3.99Å; I159-I196 HydrophobicContact CD1-CD1 3.52Å; I159-Y199 WeakPolarHBondContact CA-OH 3.42Å; I159-Y199 HydrophobicContact CB-CE1 4.44Å; I159-Y199 HydrophobicContact CG1-CE1 4.1Å; I159-Y199 HydrophobicContact CG1-CE2 4.45Å; I159-Y199 HydrophobicContact CG2-CE2 4.01Å; I159-P230 HydrophobicContact CD1-CB 3.72Å; I159-P230 WeakPolarHBondContact CD1-O 3.47Å; I159-V231 PolarHBondContact N-O 3.3Å; I159-L233 HydrophobicContact CD1-CG 4.44Å; I159-L233 HydrophobicContact CG1-CG 4.46Å
160Y92.1Very high93.8Very high77 Ų7745.6 Ų45.630%0.30222%0.223SC..THydrogen-bonded Turntrans-70.7-49.1-174.7-178.3-96000111.8R88 L89 I158 A162 Y199R88-Y160 HydrophobicContact CB-CE2 4.01Å; L89-Y160 HydrophobicContact CD2-CD2 3.58Å; L89-Y160 HydrophobicContact CD2-CE2 4.08Å; L89-Y160 HydrophobicContact CG-CD2 3.81Å; L89-Y160 HydrophobicContact CG-CE2 4.37Å; I158-Y160 PolarHBondContact O-N 3.04Å; Y160-A162 PolarHBondContact O-N 3.31Å; Y160-A162 VanDerWaalsContact O-N 3.14Å; Y160-Y199 PolarHBondContact N-OH 3.02Å
161E91.6Very high93.8Very high92 Ų9244 Ų4443%0.4322%0.216SC..THydrogen-bonded Turntrans-81.116.7-175.2-53.978.8-170.800113.7D163 V164 Y199E161-D163 VanDerWaalsContact C-OD1 3.31Å; E161-D163 WeakPolarHBondContact CA-OD1 3.48Å; E161-D163 PolarHBondContact O-N 3.33Å; E161-V164 PolarHBondContact O-N 3.43Å; E161-Y199 PolarHBondContact OE2-OH 3.4Å
162A94.5Very high93.7Very high0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-64.1-21.3179.200000112.7L137 I159 Y160 V164 Y165 A166 I229L137-A162 HydrophobicContact CD1-CB 3.62Å; L137-A162 HydrophobicContact CD2-CB 3.76Å; L137-A162 WeakPolarHBondContact CD2-O 3.48Å; L137-A162 HydrophobicContact CG-CB 4.31Å; I159-A162 HydrophobicContact CB-CB 4.33Å; I159-A162 HydrophobicContact CG2-CB 3.99Å; Y160-A162 PolarHBondContact O-N 3.31Å; Y160-A162 VanDerWaalsContact O-N 3.14Å; A162-V164 PolarHBondContact O-N 3.05Å; A162-Y165 PolarHBondContact O-N 3.44Å; A162-A166 PolarHBondContact O-N 3.4Å; A162-I229 HydrophobicContact CB-CG2 4.03Å
163D93.4Very high93.4Very high41 Ų4137.9 Ų37.922%0.21920%0.198CC..Hα-helixtrans-63.5-37.6178.747.86.2000112.9K92 L137 E161 Y165 A166 I167K92-D163 IonicContact NZ-OD2 3.68Å; K92-D163 PolarHBondContact NZ-OD2 3.03Å; L137-D163 VanDerWaalsContact CD2-CA 3.46Å; L137-D163 HydrophobicContact CD2-CB 4.14Å; L137-D163 VanDerWaalsContact CD2-N 3.31Å; E161-D163 VanDerWaalsContact C-OD1 3.31Å; E161-D163 WeakPolarHBondContact CA-OD1 3.48Å; E161-D163 PolarHBondContact O-N 3.33Å; D163-Y165 VanDerWaalsContact C-N 3.28Å; D163-Y165 PolarHBondContact O-N 3.16Å; D163-A166 PolarHBondContact O-N 3.24Å; D163-I167 VanDerWaalsContact O-CG1 3.29Å; D163-I167 WeakPolarHBondContact O-CG1 3.21Å; D163-I167 PolarHBondContact O-N 3.08Å
164V94.2Very high92.7Very high77 Ų7740 Ų4047%0.46721%0.209SC..Hα-helixtrans-56.7-45.7174.2-1790000110.5E161 A162 I167 L168E161-V164 PolarHBondContact O-N 3.43Å; A162-V164 PolarHBondContact O-N 3.05Å; V164-I167 PolarHBondContact O-N 3.47Å; V164-L168 HydrophobicContact CG1-CD1 4.21Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.49Å; V164-L168 PolarHBondContact O-N 3.39Å
165Y94.1Very high92Very high69 Ų6944.6 Ų44.627%0.27124%0.241SC..Hα-helixtrans-71.1-33.6179.5-58.6-72.8000112.5A162 D163 L168 A169 R224A162-Y165 PolarHBondContact O-N 3.44Å; D163-Y165 VanDerWaalsContact C-N 3.28Å; D163-Y165 PolarHBondContact O-N 3.16Å; Y165-L168 PolarHBondContact O-N 3.02Å; Y165-A169 WeakPolarHBondContact O-CB 3.27Å; Y165-A169 PolarHBondContact O-N 3.1Å; Y165-R224 HydrophobicContact CD1-CG 4.41Å; Y165-R224 VanDerWaalsContact CZ-NH1 3.25Å; Y165-R224 VanDerWaalsContact OH-CZ 3.27Å; Y165-R224 PolarHBondContact OH-NH1 3.47Å; Y165-R224 PolarHBondContact OH-NH2 2.94Å
166A94.6Very high91.1Very high0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-63.2-43.7173.500000112.1V134 L137 A162 D163 A169 D170 I229V134-A166 HydrophobicContact CB-CB 4.45Å; V134-A166 HydrophobicContact CG2-CB 3.79Å; L137-A166 HydrophobicContact CB-CB 4.33Å; L137-A166 HydrophobicContact CD2-CB 3.9Å; A162-A166 PolarHBondContact O-N 3.4Å; D163-A166 PolarHBondContact O-N 3.24Å; A166-A169 PolarHBondContact O-N 2.84Å; A166-D170 PolarHBondContact O-N 2.99Å; A166-I229 HydrophobicContact CB-CD1 3.73Å
167I94.8Very high89.9Confident95 Ų9550.4 Ų50.449%0.48728%0.28SS..Hα-helixtrans-63.9-42.6176.1-65.9163.6000110.9V134 D163 V164 D170 S171V134-I167 HydrophobicContact CG2-CG1 3.79Å; D163-I167 VanDerWaalsContact O-CG1 3.29Å; D163-I167 WeakPolarHBondContact O-CG1 3.21Å; D163-I167 PolarHBondContact O-N 3.08Å; V164-I167 PolarHBondContact O-N 3.47Å; I167-D170 PolarHBondContact O-N 3.49Å; I167-S171 WeakPolarHBondContact O-CB 3.46Å; I167-S171 PolarHBondContact O-N 3.17Å; I167-S171 PolarHBondContact O-OG 3.01Å
168L93.4Very high88.5Confident93 Ų9359.4 Ų59.449%0.48732%0.322SS..Hα-helixtrans-64-40.3176.2-70.8173.1000111.8V164 Y165 S171 S172V164-L168 HydrophobicContact CG1-CD1 4.21Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.49Å; V164-L168 PolarHBondContact O-N 3.39Å; Y165-L168 PolarHBondContact O-N 3.02Å; L168-S171 PolarHBondContact O-N 3.37Å; L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.15Å; L168-S172 PolarHBondContact O-OG 3.23Å
169A92.3Very high87.4Confident6 Ų667.7 Ų67.75%0.0536%0.36CS..Hα-helixtrans-63.7-46.8175.600000111.2Y165 A166 S171 S172 R173 H184 I229Y165-A169 WeakPolarHBondContact O-CB 3.27Å; Y165-A169 PolarHBondContact O-N 3.1Å; A166-A169 PolarHBondContact O-N 2.84Å; A169-S171 VanDerWaalsContact C-N 3.29Å; A169-S171 PolarHBondContact O-N 3.36Å; A169-S172 PolarHBondContact O-N 3.08Å; A169-R173 PolarHBondContact O-N 2.69Å; A169-H184 PolarHBondContact O-CE1 2.99Å; A169-H184 PolarHBondContact O-NE2 3.23Å; A169-I229 HydrophobicContact CB-CD1 4.48Å
170D92.1Very high86.8Confident19 Ų1969.4 Ų69.410%0.10237%0.371CS..Hα-helixtrans-60.9-38.8176.7-78.5-39.8000112.3T132 S133 V134 A166 I167 R173T132-D170 WeakPolarHBondContact CB-OD2 3.49Å; S133-D170 WeakPolarHBondContact CB-OD1 3.42Å; S133-D170 WeakPolarHBondContact CB-OD2 3.21Å; S133-D170 VanDerWaalsContact N-CG 3.35Å; S133-D170 PolarHBondContact N-OD1 3.45Å; S133-D170 PolarHBondContact N-OD2 3Å; S133-D170 VanDerWaalsContact OG-CG 3.31Å; S133-D170 PolarHBondContact OG-OD1 3.33Å; V134-D170 PolarHBondContact N-OD2 3.12Å; A166-D170 PolarHBondContact O-N 2.99Å; I167-D170 PolarHBondContact O-N 3.49Å; D170-R173 IonicContact OD1-CZ 3.72Å; D170-R173 IonicContact OD1-NH1 3.85Å; D170-R173 IonicContact OD1-NH2 3.07Å; D170-R173 PolarHBondContact OD1-NH2 2.91Å
171S90.9Very high86.7Confident66 Ų6667.2 Ų67.246%0.46237%0.367SS..Hα-helixtrans-69.7-41.7177.5-55.30000112.3I167 L168 A169 R173 D174 S175I167-S171 WeakPolarHBondContact O-CB 3.46Å; I167-S171 PolarHBondContact O-N 3.17Å; I167-S171 PolarHBondContact O-OG 3.01Å; L168-S171 PolarHBondContact O-N 3.37Å; A169-S171 VanDerWaalsContact C-N 3.29Å; A169-S171 PolarHBondContact O-N 3.36Å; S171-R173 VanDerWaalsContact C-N 3.3Å; S171-R173 PolarHBondContact O-N 3.49Å; S171-D174 PolarHBondContact O-N 3.43Å; S171-S175 PolarHBondContact O-N 2.98Å
172S87.6Confident86.6Confident39 Ų3964.2 Ų64.227%0.27336%0.356SS..Hα-helixtrans-68.9-31.9-178.9-53.90000111.7L168 A169 D174 S175 E176L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.15Å; L168-S172 PolarHBondContact O-OG 3.23Å; A169-S172 PolarHBondContact O-N 3.08Å; S172-D174 VanDerWaalsContact C-N 3.25Å; S172-D174 PolarHBondContact O-N 3.02Å; S172-S175 WeakPolarHBondContact CA-OG 3.25Å; S172-S175 PolarHBondContact O-N 3.13Å; S172-S175 VanDerWaalsContact O-N 3.14Å; S172-S175 PolarHBondContact O-OG 2.92Å; S172-E176 WeakPolarHBondContact O-CB 3.41Å; S172-E176 WeakPolarHBondContact O-CG 3.48Å; S172-E176 PolarHBondContact O-N 2.9Å
173R82.5Confident86.6Confident36 Ų3664.2 Ų64.214%0.13636%0.356CS..Hα-helixtrans-57.4-40.7172.4-177.8-176.259.8-157.1-21.8111.6L126 A169 D170 S171 S175 G177L126-R173 PolarHBondContact O-NH1 2.94Å; A169-R173 PolarHBondContact O-N 2.69Å; D170-R173 IonicContact OD1-CZ 3.72Å; D170-R173 IonicContact OD1-NH1 3.85Å; D170-R173 IonicContact OD1-NH2 3.07Å; D170-R173 PolarHBondContact OD1-NH2 2.91Å; S171-R173 VanDerWaalsContact C-N 3.3Å; S171-R173 PolarHBondContact O-N 3.49Å; R173-S175 VanDerWaalsContact C-N 3.28Å; R173-S175 PolarHBondContact O-N 3.46Å; R173-G177 PolarHBondContact O-N 2.72Å
174D80.2Confident86.7Confident103 Ų10363.2 Ų63.255%0.55135%0.35SS*.Hα-helixtrans-69.4-27.2-179.8-71.7-20.8000112.5K129 S171 S172K129-D174 WeakPolarHBondContact CE-OD1 3.27Å; K129-D174 IonicContact NZ-OD1 3.61Å; K129-D174 PolarHBondContact NZ-OD1 3.45Å; S171-D174 PolarHBondContact O-N 3.43Å; S172-D174 VanDerWaalsContact C-N 3.25Å; S172-D174 PolarHBondContact O-N 3.02Å
175S82.7Confident86.7Confident95 Ų9559.5 Ų59.566%0.66433%0.328SS*.Hα-helixtrans-87.9-36176.752.20000114.7S171 S172 R173S171-S175 PolarHBondContact O-N 2.98Å; S172-S175 WeakPolarHBondContact CA-OG 3.25Å; S172-S175 PolarHBondContact O-N 3.13Å; S172-S175 VanDerWaalsContact O-N 3.14Å; S172-S175 PolarHBondContact O-OG 2.92Å; R173-S175 VanDerWaalsContact C-N 3.28Å; R173-S175 PolarHBondContact O-N 3.46Å
176E77.2Confident86.8Confident94 Ų9456.3 Ų56.344%0.43932%0.315SS..Hα-helixtrans-94.2-20.2-169.7-67.1-179.1175.700114.1S172 E178 H179 V180S172-E176 WeakPolarHBondContact O-CB 3.41Å; S172-E176 WeakPolarHBondContact O-CG 3.48Å; S172-E176 PolarHBondContact O-N 2.9Å; E176-E178 PolarHBondContact O-N 2.74Å; E176-H179 PolarHBondContact O-N 3.06Å; E176-V180 HydrophobicContact CB-CG2 4.02Å
177G71.6Confident86.9Confident49 Ų4956.3 Ų56.351%0.50532%0.315SS..G310 helixtrans60.1-108.7175.700000113.1R173 V180R173-G177 PolarHBondContact O-N 2.72Å; G177-V180 VanDerWaalsContact O-CG2 3.27Å; G177-V180 WeakPolarHBondContact O-CG2 3.39Å
178E66.9Low87.1Confident192 Ų19251.8 Ų51.890%0.89729%0.292SS*.G310 helixtrans-86.6-9.7-175.6-67.3-174.3171.300114.3E176 V180E176-E178 PolarHBondContact O-N 2.74Å; E178-V180 PolarHBondContact O-N 3.37Å
179H72.7Confident87.3Confident174 Ų17447.3 Ų47.381%0.80627%0.269SS*.G310 helixtrans-79.66.8-179.4-69.5-62.1000114.3E176E176-H179 PolarHBondContact O-N 3.06Å
180V83.3Confident87.6Confident41 Ų4147.1 Ų47.125%0.24827%0.267CS..  trans-76.8141.2-172.4177.60000111.3E176 G177 E178 H184E176-V180 HydrophobicContact CB-CG2 4.02Å; G177-V180 VanDerWaalsContact O-CG2 3.27Å; G177-V180 WeakPolarHBondContact O-CG2 3.39Å; E178-V180 PolarHBondContact O-N 3.37Å; V180-H184 HydrophobicContact CG1-CB 3.05Å
181S90Very high87.9Confident31 Ų3146.6 Ų46.622%0.21726%0.264CS..  trans-66.7160.1179.190.40000112.3I183 H184 C226S181-I183 PolarHBondContact O-N 2.93Å; S181-I183 VanDerWaalsContact O-N 3.15Å; S181-I183 WeakPolarHBondContact OG-CG1 3.45Å; S181-I183 PolarHBondContact OG-N 3.43Å; S181-H184 WeakPolarHBondContact O-CB 3.43Å; S181-H184 PolarHBondContact O-N 3.36Å; S181-H184 PolarHBondContact OG-N 2.67Å; S181-C226 WeakPolarHBondContact CB-O 3.45Å; S181-C226 PolarHBondContact OG-O 2.99Å
182S90.7Very high88.1Confident29 Ų2943.7 Ų43.720%0.20324%0.243CC..THydrogen-bonded Turntrans-68.6-12.1178.657.40000114D338 S342S182-D338 WeakPolarHBondContact OG-CB 3.43Å; S182-D338 PolarHBondContact OG-O 3.25Å; S182-D338 VanDerWaalsContact OG-O 3.14Å; S182-D338 PolarHBondContact OG-OD1 3.14Å; S182-S342 PolarHBondContact OG-OG 3.45Å; S182-S342 VanDerWaalsContact OG-OG 3.11Å
183I93.9Very high88.5Confident0 Ų042.1 Ų42.10%023%0.231CC..THydrogen-bonded Turntrans-114.212-178.664.4173.6000113S181 I186 L223 C226 T228 L278 D338 I339S181-I183 PolarHBondContact O-N 2.93Å; S181-I183 VanDerWaalsContact O-N 3.15Å; S181-I183 WeakPolarHBondContact OG-CG1 3.45Å; S181-I183 PolarHBondContact OG-N 3.43Å; I183-I186 WeakPolarHBondContact O-CB 3.32Å; I183-I186 PolarHBondContact O-N 2.57Å; I183-L223 HydrophobicContact CD1-CD2 4.49Å; I183-C226 HydrophobicContact CD1-CB 4.11Å; I183-C226 HydrophobicContact CG1-CB 4.17Å; I183-T228 HydrophobicContact CD1-CG2 3.89Å; I183-L278 HydrophobicContact CB-CD1 4.34Å; I183-L278 HydrophobicContact CG2-CD1 3.92Å; I183-D338 HydrophobicContact CG2-CB 4.16Å; I183-I339 HydrophobicContact CG2-CG1 4.21Å
184H94.3Very high89.2Confident19 Ų1940.6 Ų40.69%0.08823%0.226CC..THydrogen-bonded Turntrans-64.9135.2-179.2-17293.9000112.6A169 V180 S181 I186 G227A169-H184 PolarHBondContact O-CE1 2.99Å; A169-H184 PolarHBondContact O-NE2 3.23Å; V180-H184 HydrophobicContact CG1-CB 3.05Å; S181-H184 WeakPolarHBondContact O-CB 3.43Å; S181-H184 PolarHBondContact O-N 3.36Å; S181-H184 PolarHBondContact OG-N 2.67Å; H184-I186 PolarHBondContact O-N 3.45Å; H184-G227 WeakPolarHBondContact ND1-CA 3.31Å
185G94.7Very high90Very high0 Ų035.9 Ų35.90%020%0.201CC..THydrogen-bonded Turntrans70.7-1.1-176.300000114.3S133 P187 G227S133-G185 VanDerWaalsContact OG-CA 3.27Å; S133-G185 WeakPolarHBondContact OG-CA 3.22Å; G185-P187 WeakPolarHBondContact O-CD 3.38Å; G185-G227 PolarHBondContact N-O 3.26Å
186I96.5Very high90.6Very high1 Ų131.4 Ų31.41%0.00517%0.17CC..  trans-87.2129-179.6-58.3-66.8000109.7L119 L122 L126 L136 I183 H184 T228 I229 P277 L278L119-I186 HydrophobicContact CD1-CB 4.42Å; L119-I186 HydrophobicContact CD1-CD1 3.99Å; L119-I186 HydrophobicContact CD1-CG1 3.95Å; L119-I186 HydrophobicContact CD1-CG2 3.71Å; L122-I186 HydrophobicContact CB-CD1 3.79Å; L126-I186 HydrophobicContact CD1-CD1 3.51Å; L126-I186 HydrophobicContact CD1-CG1 4.23Å; L136-I186 HydrophobicContact CD2-CD1 3.96Å; I183-I186 WeakPolarHBondContact O-CB 3.32Å; I183-I186 PolarHBondContact O-N 2.57Å; H184-I186 PolarHBondContact O-N 3.45Å; I186-T228 WeakPolarHBondContact O-CA 3.27Å; I186-T228 WeakPolarHBondContact O-CB 3.35Å; I186-T228 PolarHBondContact O-OG1 3.49Å; I186-I229 PolarHBondContact O-N 3.31Å; I186-I229 VanDerWaalsContact O-N 3.08Å; I186-P277 HydrophobicContact CG2-CG 3.62Å; I186-L278 HydrophobicContact CG2-CD1 3.86Å; I186-L278 HydrophobicContact CG2-CG 4.31Å
187P97.5Very high91.5Very high0 Ų032.2 Ų32.20%017%0.173CC..EExtended strand (participates in β ladder)trans-67.2144.1172-27.239.4000112.9L136 Y140 G185 I229 V231 P277L136-P187 VanDerWaalsContact CD2-CD 3.49Å; L136-P187 HydrophobicContact CD2-CG 4.41Å; L136-P187 HydrophobicContact CG-CG 4.05Å; Y140-P187 HydrophobicContact CD2-CB 4.02Å; Y140-P187 HydrophobicContact CD2-CG 3.77Å; Y140-P187 HydrophobicContact CE2-CG 4.38Å; Y140-P187 HydrophobicContact CG-CB 4.47Å; G185-P187 WeakPolarHBondContact O-CD 3.38Å; P187-I229 CarbonylContact C-O 3.53Å; P187-I229 VanDerWaalsContact CA-O 3.24Å; P187-I229 WeakPolarHBondContact CA-O 3.38Å; P187-V231 HydrophobicContact CB-CB 4.09Å; P187-V231 HydrophobicContact CB-CG1 3.66Å; P187-P277 VanDerWaalsContact O-CD 3.27Å; P187-P277 WeakPolarHBondContact O-CD 3.48Å; P187-P277 VanDerWaalsContact O-CG 3.28Å; P187-P277 WeakPolarHBondContact O-CG 3.48Å
188I98Very high92.6Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-133.1142178.6-166.8163.3000111.2L190 L223 T228 I229 P230 V231 L278 V280 I339I188-L190 HydrophobicContact CG1-CD2 4.49Å; I188-L223 HydrophobicContact CD1-CD2 3.98Å; I188-T228 HydrophobicContact CG2-CG2 4.11Å; I188-T228 WeakPolarHBondContact CG2-OG1 3.37Å; I188-I229 PolarHBondContact N-O 3.15Å; I188-P230 HydrophobicContact CG2-CG 4.34Å; I188-P230 WeakPolarHBondContact O-CA 3.37Å; I188-V231 PolarHBondContact O-N 3.11Å; I188-L278 HydrophobicContact CB-CB 4.28Å; I188-L278 HydrophobicContact CD1-CB 3.99Å; I188-L278 HydrophobicContact CG1-CB 3.75Å; I188-V280 HydrophobicContact CD1-CG2 3.75Å; I188-V280 HydrophobicContact CG1-CG2 4.49Å; I188-I339 HydrophobicContact CD1-CD1 4.17Å
189A98.4Very high94Very high0 Ų023.2 Ų23.20%013%0.129CC..EExtended strand (participates in β ladder)trans-98.1143.3173.800000110.8I232 T234 L270 S276 L278 A279 V280A189-I232 CarbonylContact C-O 3.5Å; A189-I232 VanDerWaalsContact CA-O 3.27Å; A189-I232 WeakPolarHBondContact CA-O 3.38Å; A189-I232 HydrophobicContact CB-CB 4.17Å; A189-I232 HydrophobicContact CB-CG2 4.46Å; A189-T234 HydrophobicContact CB-CG2 3.99Å; A189-L270 HydrophobicContact CB-CD2 3.36Å; A189-S276 PolarHBondContact N-OG 2.92Å; A189-L278 PolarHBondContact N-O 3.42Å; A189-A279 HydrophobicContact CB-CB 4.16Å; A189-A279 CarbonylContact O-C 3.58Å; A189-A279 WeakPolarHBondContact O-CA 3.4Å; A189-V280 PolarHBondContact O-N 2.92Å
190L98.3Very high95.1Very high1 Ų115.4 Ų15.41%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-123.3146.3179.9-58.4178.6000109I188 F194 I196 V220 L223 P230 I232 L233 T234 V280I188-L190 HydrophobicContact CG1-CD2 4.49Å; L190-F194 HydrophobicContact CB-CD2 4.06Å; L190-I196 HydrophobicContact CD1-CD1 4.06Å; L190-V220 HydrophobicContact CD1-CG2 3.74Å; L190-L223 HydrophobicContact CD1-CD1 4.3Å; L190-L223 HydrophobicContact CD2-CD1 3.79Å; L190-P230 HydrophobicContact CD1-CB 4.09Å; L190-P230 HydrophobicContact CD1-CG 4.22Å; L190-I232 PolarHBondContact N-O 2.93Å; L190-L233 HydrophobicContact CB-CD2 4.17Å; L190-L233 CarbonylContact O-C 3.29Å; L190-L233 VanDerWaalsContact O-CA 3.31Å; L190-L233 WeakPolarHBondContact O-CA 3.24Å; L190-T234 PolarHBondContact O-N 3.22Å; L190-T234 PolarHBondContact O-OG1 3.12Å; L190-V280 HydrophobicContact CD2-CB 3.66Å; L190-V280 HydrophobicContact CD2-CG2 3.8Å
191E97.7Very high95.7Very high9 Ų914.9 Ų14.94%0.0429%0.088CC..EExtended strand (participates in β ladder)trans-60.8139.4164-75.6-173.4-15800110.4I193 F194 T234 V236 S265 T267 V280 G281 F282E191-I193 HydrophobicContact CB-CG1 3.99Å; E191-I193 PolarHBondContact O-N 2.93Å; E191-F194 HydrophobicContact CB-CD2 4.19Å; E191-F194 HydrophobicContact CB-CE2 4.1Å; E191-F194 VanDerWaalsContact O-CD2 3.26Å; E191-F194 WeakPolarHBondContact O-CD2 3.5Å; E191-F194 PolarHBondContact O-N 3.31Å; E191-T234 VanDerWaalsContact CA-OG1 3.32Å; E191-T234 WeakPolarHBondContact CA-OG1 3.22Å; E191-T234 WeakPolarHBondContact CG-OG1 3.5Å; E191-V236 HydrophobicContact CB-CG1 4.07Å; E191-V236 HydrophobicContact CG-CG1 4.42Å; E191-S265 VanDerWaalsContact OE1-CB 3.26Å; E191-S265 WeakPolarHBondContact OE1-CB 3.41Å; E191-S265 PolarHBondContact OE1-OG 3.24Å; E191-T267 HydrophobicContact CG-CG2 3.61Å; E191-V280 PolarHBondContact N-O 3.03Å; E191-V280 VanDerWaalsContact N-O 3.15Å; E191-G281 VanDerWaalsContact OE1-CA 3.31Å; E191-G281 WeakPolarHBondContact OE1-CA 3.42Å; E191-F282 PolarHBondContact OE1-N 3.46Å; E191-F282 WeakPolarHBondContact OE2-CB 3.47Å
192E95.9Very high95.9Very high4 Ų413.6 Ų13.62%0.0198%0.079CC..THydrogen-bonded Turntrans-58.1-15.8-175.8-180-93.3-173.600114F194 H201 T202 M203 L233 T234 V236E192-F194 PolarHBondContact O-N 2.86Å; E192-H201 WeakPolarHBondContact O-CA 3.41Å; E192-H201 WeakPolarHBondContact O-CB 3.5Å; E192-T202 VanDerWaalsContact CD-OG1 3.23Å; E192-T202 WeakPolarHBondContact OE1-CB 3.28Å; E192-T202 WeakPolarHBondContact OE1-CG2 3.18Å; E192-T202 PolarHBondContact OE1-N 3.3Å; E192-T202 PolarHBondContact OE1-OG1 2.76Å; E192-T202 PolarHBondContact OE2-N 3.18Å; E192-T202 PolarHBondContact OE2-OG1 2.89Å; E192-T202 VanDerWaalsContact OE2-OG1 3.06Å; E192-M203 PolarHBondContact OE2-N 2.95Å; E192-L233 HydrophobicContact CB-CB 4.25Å; E192-T234 VanDerWaalsContact CB-O 3.29Å; E192-T234 WeakPolarHBondContact CB-O 3.28Å; E192-T234 PolarHBondContact N-O 3.2Å; E192-V236 HydrophobicContact CB-CG1 4.28Å
193I95.4Very high96.1Very high7 Ų713 Ų134%0.0367%0.073CC..THydrogen-bonded Turntrans-69-16.2174.764.2165.3000114.5E191 P195 M203 V236 F282 L314E191-I193 HydrophobicContact CB-CG1 3.99Å; E191-I193 PolarHBondContact O-N 2.93Å; I193-P195 VanDerWaalsContact O-CD 3.24Å; I193-P195 WeakPolarHBondContact O-CD 3.48Å; I193-M203 HydrophobicContact CG2-CB 4.2Å; I193-M203 HydrophobicContact CG2-CG 4.22Å; I193-V236 HydrophobicContact CG2-CB 4.49Å; I193-V236 HydrophobicContact CG2-CG1 4.04Å; I193-F282 HydrophobicContact CD1-CB 3.28Å; I193-F282 HydrophobicContact CD1-CD1 3.59Å; I193-F282 HydrophobicContact CD1-CD2 3.13Å; I193-F282 HydrophobicContact CD1-CE1 4.05Å; I193-F282 HydrophobicContact CD1-CE2 3.6Å; I193-F282 HydrophobicContact CD1-CG 3.06Å; I193-F282 HydrophobicContact CD1-CZ 4.01Å; I193-F282 HydrophobicContact CG1-CB 4.38Å; I193-F282 HydrophobicContact CG1-CD2 4.48Å; I193-F282 HydrophobicContact CG1-CG 4.47Å; I193-L314 HydrophobicContact CB-CD2 4.24Å
194F96.6Very high96Very high3 Ų313 Ų131%0.0137%0.073CC..SBendtrans-81.4114.5179.1-67.3-66.2000108.9L190 E191 E192 I196 L219 V280 F282 L312 P326L190-F194 HydrophobicContact CB-CD2 4.06Å; E191-F194 HydrophobicContact CB-CD2 4.19Å; E191-F194 HydrophobicContact CB-CE2 4.1Å; E191-F194 VanDerWaalsContact O-CD2 3.26Å; E191-F194 WeakPolarHBondContact O-CD2 3.5Å; E191-F194 PolarHBondContact O-N 3.31Å; E192-F194 PolarHBondContact O-N 2.86Å; F194-I196 PolarHBondContact O-N 3.01Å; F194-L219 HydrophobicContact CD1-CD2 3.72Å; F194-L219 HydrophobicContact CE1-CD2 3.55Å; F194-L219 HydrophobicContact CG-CD2 4.34Å; F194-L219 HydrophobicContact CZ-CD2 4.03Å; F194-V280 HydrophobicContact CE2-CB 4.45Å; F194-V280 HydrophobicContact CE2-CG1 4.09Å; F194-V280 WeakPolarHBondContact CE2-O 3.42Å; F194-V280 HydrophobicContact CZ-CG1 4.05Å; F194-F282 HydrophobicContact CZ-CD2 4.45Å; F194-L312 HydrophobicContact CD1-CD1 3.81Å; F194-L312 HydrophobicContact CE1-CD1 4.25Å; F194-P326 HydrophobicContact CE1-CB 4.03Å; F194-P326 HydrophobicContact CE1-CG 4.02Å; F194-P326 HydrophobicContact CZ-CB 3.99Å; F194-P326 HydrophobicContact CZ-CG 4.43Å
195P96.8Very high96Very high4 Ų412.3 Ų12.33%0.0267%0.069CC..  trans-61.5123.6-178.1-25.636.1000111.6I193 H201 A213 C217I193-P195 VanDerWaalsContact O-CD 3.24Å; I193-P195 WeakPolarHBondContact O-CD 3.48Å; P195-H201 HydrophobicContact CG-CB 4.48Å; P195-A213 HydrophobicContact CB-CB 3.69Å; P195-C217 HydrophobicContact CB-CB 4.33Å; P195-C217 HydrophobicContact CG-CB 4.33Å; P195-C217 PolarHBondContact O-N 2.85Å
196I96.8Very high96Very high2 Ų212.3 Ų12.31%0.017%0.069CC..  trans-119.5134.3169.3-58.3-177.9000107.2I159 L190 F194 G198 Y199 A213 D216 V220 P230 L233I159-I196 HydrophobicContact CD1-CD1 3.52Å; L190-I196 HydrophobicContact CD1-CD1 4.06Å; F194-I196 PolarHBondContact O-N 3.01Å; I196-G198 PolarHBondContact O-N 3.2Å; I196-Y199 HydrophobicContact CB-CD2 4.13Å; I196-Y199 HydrophobicContact CB-CG 4.47Å; I196-Y199 HydrophobicContact CG2-CD2 3.73Å; I196-Y199 HydrophobicContact CG2-CE2 4.34Å; I196-Y199 PolarHBondContact O-N 3.24Å; I196-A213 WeakPolarHBondContact O-CB 3.34Å; I196-D216 VanDerWaalsContact CA-OD1 3.27Å; I196-D216 WeakPolarHBondContact CA-OD1 3.41Å; I196-D216 WeakPolarHBondContact CG2-OD1 3.29Å; I196-V220 HydrophobicContact CG1-CG1 4.23Å; I196-V220 HydrophobicContact CG1-CG2 3.98Å; I196-P230 HydrophobicContact CD1-CB 4.2Å; I196-L233 HydrophobicContact CD1-CD2 3.58Å; I196-L233 HydrophobicContact CD1-CG 4.39Å; I196-L233 HydrophobicContact CG1-CD2 4.41Å
197H95.9Very high95.7Very high111 Ų11112.4 Ų12.451%0.5147%0.07SC..BIsolated β-bridgetrans-48.9122.2-179.5172.3-89.3000111.5Y199 E214 D216H197-Y199 VanDerWaalsContact C-N 3.31Å; H197-Y199 WeakPolarHBondContact O-CD2 3.38Å; H197-Y199 PolarHBondContact O-N 3.37Å; H197-E214 PolarHBondContact CD2-O 3.22Å; H197-E214 VanDerWaalsContact CD2-O 3.3Å; H197-D216 PolarHBondContact N-OD1 3.06Å
198G94.9Very high95.5Very high42 Ų4213.1 Ų13.143%0.4338%0.075SC..THydrogen-bonded Turntrans83.4-7.1-179.600000115.9I196 A213I196-G198 PolarHBondContact O-N 3.2Å; G198-A213 PolarHBondContact N-O 3.07Å
199Y96.1Very high95.4Very high10 Ų1013.2 Ų13.24%0.0398%0.075CC..SBendtrans-106.9144.6179.5-67.5-94.8000112E157 I159 Y160 E161 I196 H197 G212 A213 L233E157-Y199 HydrophobicContact CG-CD1 4.12Å; E157-Y199 HydrophobicContact CG-CE1 4.1Å; I159-Y199 WeakPolarHBondContact CA-OH 3.42Å; I159-Y199 HydrophobicContact CB-CE1 4.44Å; I159-Y199 HydrophobicContact CG1-CE1 4.1Å; I159-Y199 HydrophobicContact CG1-CE2 4.45Å; I159-Y199 HydrophobicContact CG2-CE2 4.01Å; Y160-Y199 PolarHBondContact N-OH 3.02Å; E161-Y199 PolarHBondContact OE2-OH 3.4Å; I196-Y199 HydrophobicContact CB-CD2 4.13Å; I196-Y199 HydrophobicContact CB-CG 4.47Å; I196-Y199 HydrophobicContact CG2-CD2 3.73Å; I196-Y199 HydrophobicContact CG2-CE2 4.34Å; I196-Y199 PolarHBondContact O-N 3.24Å; H197-Y199 VanDerWaalsContact C-N 3.31Å; H197-Y199 WeakPolarHBondContact O-CD2 3.38Å; H197-Y199 PolarHBondContact O-N 3.37Å; Y199-G212 CarbonylContact O-C 3.58Å; Y199-G212 WeakPolarHBondContact O-CA 3.36Å; Y199-A213 PolarHBondContact O-N 3.4Å; Y199-L233 HydrophobicContact CD1-CD1 3.97Å; Y199-L233 HydrophobicContact CG-CD1 4.13Å
200D95.9Very high95.1Very high9 Ų915.7 Ų15.75%0.0489%0.089CC..BIsolated β-bridgetrans-71.1148.4179.3-67.5-24.8000110.9K78 T202 N210 R211 G212K78-D200 VanDerWaalsContact CD-OD2 3.3Å; K78-D200 WeakPolarHBondContact CD-OD2 3.49Å; K78-D200 WeakPolarHBondContact CE-OD2 3.2Å; K78-D200 IonicContact NZ-OD2 3.75Å; K78-D200 PolarHBondContact NZ-OD2 2.94Å; K78-D200 VanDerWaalsContact NZ-OD2 3.11Å; D200-T202 HydrophobicContact CB-CG2 3.93Å; D200-N210 PolarHBondContact OD1-N 3.41Å; D200-N210 PolarHBondContact OD2-N 3.41Å; D200-R211 PolarHBondContact OD1-N 3.18Å; D200-G212 PolarHBondContact OD1-N 3.4Å; D200-G212 VanDerWaalsContact OD1-N 3.07Å
201H95.3Very high94.9Very high31 Ų3122.1 Ų22.114%0.14411%0.113CC..  trans-130.885.8172.152.9-74.8000109.4E192 P195 K313E192-H201 WeakPolarHBondContact O-CA 3.41Å; E192-H201 WeakPolarHBondContact O-CB 3.5Å; P195-H201 HydrophobicContact CG-CB 4.48Å; H201-K313 PolarHBondContact CD2-O 3.48Å; H201-K313 VanDerWaalsContact CD2-O 3.23Å; H201-K313 PolarHBondContact NE2-O 3.48Å
202T94.8Very high94.7Very high4 Ų423.4 Ų23.43%0.02513%0.128CC..  trans-94.6-24.2-160.962.70000113.7E192 D200 G204 Y205 C208 T209 I249E192-T202 VanDerWaalsContact CD-OG1 3.23Å; E192-T202 WeakPolarHBondContact OE1-CB 3.28Å; E192-T202 WeakPolarHBondContact OE1-CG2 3.18Å; E192-T202 PolarHBondContact OE1-N 3.3Å; E192-T202 PolarHBondContact OE1-OG1 2.76Å; E192-T202 PolarHBondContact OE2-N 3.18Å; E192-T202 PolarHBondContact OE2-OG1 2.89Å; E192-T202 VanDerWaalsContact OE2-OG1 3.06Å; D200-T202 HydrophobicContact CB-CG2 3.93Å; T202-G204 PolarHBondContact O-N 3.27Å; T202-G204 VanDerWaalsContact O-N 3.12Å; T202-G204 PolarHBondContact OG1-N 3.12Å; T202-Y205 PolarHBondContact O-N 3.38Å; T202-C208 HydrophobicContact CG2-CB 4.11Å; T202-T209 HydrophobicContact CG2-CG2 3.86Å; T202-I249 HydrophobicContact CG2-CD1 3.79Å; T202-I249 WeakPolarHBondContact OG1-CD1 3.08Å
203M93.4Very high94.7Very high17 Ų1723.6 Ų23.68%0.08413%0.131CC..THydrogen-bonded Turntrans53.727.7-169.1-161-176.3-178.200111.7E192 I193 Y205 I240 P315E192-M203 PolarHBondContact OE2-N 2.95Å; I193-M203 HydrophobicContact CG2-CB 4.2Å; I193-M203 HydrophobicContact CG2-CG 4.22Å; M203-Y205 HydrophobicContact CB-CD2 4.11Å; M203-Y205 HydrophobicContact CB-CE2 4.35Å; M203-Y205 HydrophobicContact CG-CE2 4.35Å; M203-Y205 WeakPolarHBondContact O-CD2 3.24Å; M203-Y205 PolarHBondContact O-N 3.41Å; M203-Y205 HydrophobicContact SD-CE2 4.32Å; M203-I240 HydrophobicContact CE-CD1 3.65Å; M203-I240 HydrophobicContact CE-CG1 3.88Å; M203-P315 HydrophobicContact CB-CG 3.9Å
204G93.7Very high94.7Very high0 Ų030.5 Ų30.50%016%0.163CC..THydrogen-bonded Turntrans76.511.3-176.600000115.5T202 Q238 P248T202-G204 PolarHBondContact O-N 3.27Å; T202-G204 VanDerWaalsContact O-N 3.12Å; T202-G204 PolarHBondContact OG1-N 3.12Å; G204-Q238 PolarHBondContact O-NE2 3.43Å; G204-P248 VanDerWaalsContact O-CD 3.3Å; G204-P248 WeakPolarHBondContact O-CD 3.29Å
205Y93.8Very high94.6Very high3 Ų334.4 Ų34.41%0.01218%0.184CC..  trans-96.8127.9175.4-64.4-77.7000111.6T202 M203 I207 C208 Q238 P315 I316 L441 L442 L451T202-Y205 PolarHBondContact O-N 3.38Å; M203-Y205 HydrophobicContact CB-CD2 4.11Å; M203-Y205 HydrophobicContact CB-CE2 4.35Å; M203-Y205 HydrophobicContact CG-CE2 4.35Å; M203-Y205 WeakPolarHBondContact O-CD2 3.24Å; M203-Y205 PolarHBondContact O-N 3.41Å; M203-Y205 HydrophobicContact SD-CE2 4.32Å; Y205-I207 PolarHBondContact O-N 2.8Å; Y205-C208 PolarHBondContact O-N 2.87Å; Y205-C208 VanDerWaalsContact O-N 3.16Å; Y205-Q238 HydrophobicContact CD1-CG 4.24Å; Y205-Q238 HydrophobicContact CE1-CG 3.96Å; Y205-Q238 PolarHBondContact OH-O 2.55Å; Y205-P315 HydrophobicContact CD2-CB 4.45Å; Y205-I316 HydrophobicContact CE2-CD1 3.89Å; Y205-I316 WeakPolarHBondContact OH-CD1 3.4Å; Y205-L441 HydrophobicContact CD1-CD2 4.08Å; Y205-L441 HydrophobicContact CD2-CD2 3.7Å; Y205-L441 HydrophobicContact CE1-CD2 4.2Å; Y205-L441 HydrophobicContact CE2-CD2 3.83Å; Y205-L441 HydrophobicContact CG-CD2 3.83Å; Y205-L442 HydrophobicContact CD1-CD2 3.88Å; Y205-L442 HydrophobicContact CE1-CD2 3.83Å; Y205-L451 HydrophobicContact CE1-CD2 4.42Å
206T93.4Very high94.6Very high0 Ų034.8 Ų34.80%019%0.186CC..G310 helixtrans-66.5-30-177.3-50.50000111V71 R74 L75 C208 T209 P248 D449V71-T206 HydrophobicContact CG1-CG2 3.85Å; R74-T206 HydrophobicContact CB-CG2 4.4Å; L75-T206 HydrophobicContact CB-CG2 3.62Å; L75-T206 HydrophobicContact CD1-CG2 4.05Å; L75-T206 HydrophobicContact CG-CG2 4.37Å; T206-C208 PolarHBondContact O-N 3.05Å; T206-C208 VanDerWaalsContact O-N 3.15Å; T206-T209 WeakPolarHBondContact O-CB 3.28Å; T206-T209 WeakPolarHBondContact O-CG2 3.32Å; T206-T209 PolarHBondContact O-N 2.72Å; T206-T209 PolarHBondContact O-OG1 2.84Å; T206-P248 WeakPolarHBondContact OG1-CG 3.41Å; T206-D449 WeakPolarHBondContact CB-OD1 3.27Å; T206-D449 PolarHBondContact N-OD1 3.5Å; T206-D449 PolarHBondContact N-OD2 2.89Å; T206-D449 PolarHBondContact OG1-OD1 3.39Å
207I91.3Very high94.6Very high4 Ų434.9 Ų34.92%0.02119%0.186CC..G310 helixtrans-59.7-26.6178.5-167.368.7000113.1R74 Y205 L441 H445 D449R74-I207 PolarHBondContact NH1-O 2.83Å; Y205-I207 PolarHBondContact O-N 2.8Å; I207-L441 HydrophobicContact CG2-CD1 3.76Å; I207-L441 HydrophobicContact CG2-CG 4.35Å; I207-H445 WeakPolarHBondContact CD1-O 3.49Å; I207-D449 PolarHBondContact N-OD2 2.78Å
208C93.2Very high94.6Very high15 Ų1529.8 Ų29.810%0.10116%0.163CC..G310 helixtrans-88.6-1.2179.9-610000113.5T202 Y205 T206T202-C208 HydrophobicContact CG2-CB 4.11Å; Y205-C208 PolarHBondContact O-N 2.87Å; Y205-C208 VanDerWaalsContact O-N 3.16Å; T206-C208 PolarHBondContact O-N 3.05Å; T206-C208 VanDerWaalsContact O-N 3.15Å
209T95Very high94.6Very high2 Ų227.9 Ų27.91%0.01214%0.143CC..THydrogen-bonded Turntrans-74.1155.2175.861.30000112.3K78 T202 T206 R211 I249K78-T209 HydrophobicContact CB-CG2 4.2Å; K78-T209 HydrophobicContact CG-CG2 4.06Å; T202-T209 HydrophobicContact CG2-CG2 3.86Å; T206-T209 WeakPolarHBondContact O-CB 3.28Å; T206-T209 WeakPolarHBondContact O-CG2 3.32Å; T206-T209 PolarHBondContact O-N 2.72Å; T206-T209 PolarHBondContact O-OG1 2.84Å; T209-R211 VanDerWaalsContact C-N 3.25Å; T209-R211 PolarHBondContact O-N 2.84Å; T209-I249 HydrophobicContact CG2-CD1 3.48Å; T209-I249 VanDerWaalsContact CG2-CD1 3.48Å; T209-I249 HydrophobicContact CG2-CG1 3.87Å
210N94Very high94.6Very high52 Ų5227.4 Ų27.428%0.27814%0.141SC..THydrogen-bonded Turntrans60.536.1-179.1-45.9-95.3000112.2R74 K77 D200R74-N210 PolarHBondContact O-ND2 3.12Å; K77-N210 WeakPolarHBondContact CD-OD1 3.31Å; K77-N210 WeakPolarHBondContact CG-OD1 3.49Å; D200-N210 PolarHBondContact OD1-N 3.41Å; D200-N210 PolarHBondContact OD2-N 3.41Å
211R92.3Very high94.6Very high135 Ų13529.1 Ų29.151%0.50915%0.148SC..  trans-139.570.1-179.9-67.8-178175.7-176.9-4.3108D200 T209D200-R211 PolarHBondContact OD1-N 3.18Å; T209-R211 VanDerWaalsContact C-N 3.25Å; T209-R211 PolarHBondContact O-N 2.84Å
212G93.7Very high94.6Very high36 Ų3627.6 Ų27.637%0.37114%0.141SC..BIsolated β-bridgetrans-56.3145.8176.500000111Y199 D200Y199-G212 CarbonylContact O-C 3.58Å; Y199-G212 WeakPolarHBondContact O-CA 3.36Å; D200-G212 PolarHBondContact OD1-N 3.4Å; D200-G212 VanDerWaalsContact OD1-N 3.07Å
213A96.1Very high94.6Very high8 Ų827.4 Ų27.47%0.06614%0.14CC..BIsolated β-bridgetrans-62141.1176.100000110.5P195 I196 G198 Y199 D215P195-A213 HydrophobicContact CB-CB 3.69Å; I196-A213 WeakPolarHBondContact O-CB 3.34Å; G198-A213 PolarHBondContact N-O 3.07Å; Y199-A213 PolarHBondContact O-N 3.4Å; A213-D215 WeakPolarHBondContact CB-O 3.26Å; A213-D215 PolarHBondContact O-N 2.91Å
214E95.5Very high94.6Very high153 Ų15328.6 Ų28.672%0.71514%0.143SC*.SBendtrans-69.6-25.2177.7-65169.4156.900112.5H197 K313H197-E214 PolarHBondContact CD2-O 3.22Å; H197-E214 VanDerWaalsContact CD2-O 3.3Å; E214-K313 IonicContact OE2-NZ 3.71Å; E214-K313 PolarHBondContact OE2-NZ 3.23Å
215D96Very high94.6Very high84 Ų8432.6 Ų32.645%0.44917%0.165SC..SBendtrans-159.5164.4-178.8-165.14000108.6A213 K221A213-D215 WeakPolarHBondContact CB-O 3.26Å; A213-D215 PolarHBondContact O-N 2.91Å; D215-K221 VanDerWaalsContact CG-NZ 3.34Å; D215-K221 WeakPolarHBondContact OD1-CE 3.36Å; D215-K221 IonicContact OD1-NZ 3.85Å; D215-K221 IonicContact OD2-NZ 3.52Å; D215-K221 PolarHBondContact OD2-NZ 3.33Å
216D96.1Very high94.5Very high13 Ų1332.8 Ų32.87%0.0717%0.167CC..  trans-70.9144.6172.9-60.3-52.8000111.3I196 H197 V220 K221 R224I196-D216 VanDerWaalsContact CA-OD1 3.27Å; I196-D216 WeakPolarHBondContact CA-OD1 3.41Å; I196-D216 WeakPolarHBondContact CG2-OD1 3.29Å; H197-D216 PolarHBondContact N-OD1 3.06Å; D216-V220 HydrophobicContact CB-CB 4.04Å; D216-V220 HydrophobicContact CB-CG1 3.82Å; D216-K221 HydrophobicContact CB-CG 3.89Å; D216-K221 WeakPolarHBondContact O-CE 3.34Å; D216-K221 PolarHBondContact O-NZ 3.07Å; D216-R224 IonicContact OD1-CZ 3.67Å; D216-R224 IonicContact OD1-NH1 3.75Å; D216-R224 IonicContact OD1-NH2 2.8Å; D216-R224 PolarHBondContact OD1-NH2 3.32Å; D216-R224 IonicContact OD2-CZ 2.81Å; D216-R224 IonicContact OD2-NH1 3.98Å; D216-R224 PolarHBondContact OD2-NH1 2.65Å; D216-R224 IonicContact OD2-NH2 3.88Å
217C95.8Very high94.5Very high3 Ų333.2 Ų33.22%0.0217%0.171CC..  trans-70.2161.4168.571.90000111.5P195 L219 V220 K221 D311P195-C217 HydrophobicContact CB-CB 4.33Å; P195-C217 HydrophobicContact CG-CB 4.33Å; P195-C217 PolarHBondContact O-N 2.85Å; C217-L219 PolarHBondContact O-N 3.47Å; C217-V220 PolarHBondContact O-N 2.71Å; C217-V220 VanDerWaalsContact SG-CG2 3.56Å; C217-K221 PolarHBondContact O-N 2.81Å; C217-D311 HydrophobicContact CB-CB 4.3Å
218I95.7Very high94.7Very high4 Ų433.1 Ų33.12%0.02117%0.17CC..Hα-helixtrans-59.6-35.8-175.2-62.4-165.3000112.5V220 K221 A222 K310 D311 Y351 D352I218-V220 VanDerWaalsContact C-N 3.33Å; I218-V220 PolarHBondContact O-N 3.45Å; I218-K221 PolarHBondContact O-N 2.65Å; I218-A222 WeakPolarHBondContact O-CB 3.29Å; I218-A222 PolarHBondContact O-N 2.89Å; I218-K310 HydrophobicContact CD1-CB 3.65Å; I218-K310 HydrophobicContact CD1-CD 3.44Å; I218-K310 VanDerWaalsContact CD1-CD 3.44Å; I218-K310 HydrophobicContact CD1-CG 3.57Å; I218-K310 HydrophobicContact CG1-CB 4.21Å; I218-K310 HydrophobicContact CG1-CG 4.31Å; I218-D311 WeakPolarHBondContact CG1-OD2 3.25Å; I218-Y351 WeakPolarHBondContact CD1-O 3.2Å; I218-Y351 HydrophobicContact CG2-CD2 4.46Å; I218-Y351 HydrophobicContact CG2-CG 4.34Å; I218-D352 HydrophobicContact CD1-CB 3.91Å; I218-D352 HydrophobicContact CG2-CB 4.25Å
219L95.4Very high94.9Very high2 Ų232.4 Ų32.41%0.0117%0.166CC..Hα-helixtrans-58.9-45.1174.7177.769.1000111.8F194 C217 A222 L223 V280 M307 P326 L343F194-L219 HydrophobicContact CD1-CD2 3.72Å; F194-L219 HydrophobicContact CE1-CD2 3.55Å; F194-L219 HydrophobicContact CG-CD2 4.34Å; F194-L219 HydrophobicContact CZ-CD2 4.03Å; C217-L219 PolarHBondContact O-N 3.47Å; L219-A222 PolarHBondContact O-N 3.02Å; L219-L223 HydrophobicContact CD1-CD1 4.43Å; L219-L223 HydrophobicContact CG-CD1 4.06Å; L219-L223 WeakPolarHBondContact O-CB 3.37Å; L219-L223 VanDerWaalsContact O-CG 3.24Å; L219-L223 WeakPolarHBondContact O-CG 3.11Å; L219-L223 PolarHBondContact O-N 3.48Å; L219-V280 HydrophobicContact CD2-CG1 4.16Å; L219-M307 HydrophobicContact CD1-CE 3.44Å; L219-M307 VanDerWaalsContact CD1-CE 3.44Å; L219-P326 HydrophobicContact CD1-CB 4.42Å; L219-P326 HydrophobicContact CD2-CB 3.66Å; L219-P326 HydrophobicContact CD2-CG 4.04Å; L219-L343 HydrophobicContact CD1-CD1 4.24Å
220V96Very high95Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-67.3-39.8179.8171.60000110.6L190 I196 D216 C217 I218 L223 R224 P230L190-V220 HydrophobicContact CD1-CG2 3.74Å; I196-V220 HydrophobicContact CG1-CG1 4.23Å; I196-V220 HydrophobicContact CG1-CG2 3.98Å; D216-V220 HydrophobicContact CB-CB 4.04Å; D216-V220 HydrophobicContact CB-CG1 3.82Å; C217-V220 PolarHBondContact O-N 2.71Å; C217-V220 VanDerWaalsContact SG-CG2 3.56Å; I218-V220 VanDerWaalsContact C-N 3.33Å; I218-V220 PolarHBondContact O-N 3.45Å; V220-L223 PolarHBondContact O-N 3.17Å; V220-R224 WeakPolarHBondContact O-CG 3.27Å; V220-R224 PolarHBondContact O-N 3.28Å; V220-P230 HydrophobicContact CG1-CG 4.46Å
221K95.6Very high95.1Very high45 Ų4530 Ų3020%0.19615%0.153CC..Hα-helixtrans-60.5-48.7173.5-66.7176.5176.4169.10111.4D215 D216 C217 I218 L223 R224 D225 Y351D215-K221 VanDerWaalsContact CG-NZ 3.34Å; D215-K221 WeakPolarHBondContact OD1-CE 3.36Å; D215-K221 IonicContact OD1-NZ 3.85Å; D215-K221 IonicContact OD2-NZ 3.52Å; D215-K221 PolarHBondContact OD2-NZ 3.33Å; D216-K221 HydrophobicContact CB-CG 3.89Å; D216-K221 WeakPolarHBondContact O-CE 3.34Å; D216-K221 PolarHBondContact O-NZ 3.07Å; C217-K221 PolarHBondContact O-N 2.81Å; I218-K221 PolarHBondContact O-N 2.65Å; K221-L223 VanDerWaalsContact C-N 3.35Å; K221-L223 PolarHBondContact O-N 3.07Å; K221-R224 PolarHBondContact O-N 3.48Å; K221-D225 PolarHBondContact O-N 3.35Å; K221-Y351 HydrophobicContact CB-CD2 4.25Å; K221-Y351 HydrophobicContact CB-CE2 3.96Å
222A95.2Very high95.4Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-61.5-41.1177.500000112.6I218 L219 D225 C226 L343 M348I218-A222 WeakPolarHBondContact O-CB 3.29Å; I218-A222 PolarHBondContact O-N 2.89Å; L219-A222 PolarHBondContact O-N 3.02Å; A222-D225 PolarHBondContact O-N 3.26Å; A222-C226 PolarHBondContact O-N 3.46Å; A222-C226 PolarHBondContact O-SG 2.97Å; A222-L343 HydrophobicContact CB-CD2 4.01Å; A222-M348 HydrophobicContact CB-CB 3.83Å; A222-M348 HydrophobicContact CB-CG 4.12Å
223L95.5Very high95.6Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-59.5-47174.2-77.2167.4000111.2I183 I188 L190 L219 V220 K221 D225 C226 G227 T228 L343I183-L223 HydrophobicContact CD1-CD2 4.49Å; I188-L223 HydrophobicContact CD1-CD2 3.98Å; L190-L223 HydrophobicContact CD1-CD1 4.3Å; L190-L223 HydrophobicContact CD2-CD1 3.79Å; L219-L223 HydrophobicContact CD1-CD1 4.43Å; L219-L223 HydrophobicContact CG-CD1 4.06Å; L219-L223 WeakPolarHBondContact O-CB 3.37Å; L219-L223 VanDerWaalsContact O-CG 3.24Å; L219-L223 WeakPolarHBondContact O-CG 3.11Å; L219-L223 PolarHBondContact O-N 3.48Å; V220-L223 PolarHBondContact O-N 3.17Å; K221-L223 VanDerWaalsContact C-N 3.35Å; K221-L223 PolarHBondContact O-N 3.07Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 2.94Å; L223-C226 WeakPolarHBondContact O-CB 3.26Å; L223-C226 PolarHBondContact O-N 3.38Å; L223-C226 VanDerWaalsContact O-N 3.16Å; L223-G227 PolarHBondContact O-N 3.32Å; L223-T228 VanDerWaalsContact C-CG2 3.44Å; L223-T228 HydrophobicContact CB-CG2 3.53Å; L223-T228 HydrophobicContact CD2-CG2 3.57Å; L223-T228 HydrophobicContact CG-CG2 4.14Å; L223-T228 WeakPolarHBondContact O-CG2 3.48Å; L223-T228 PolarHBondContact O-N 3.41Å; L223-T228 VanDerWaalsContact O-N 3.16Å; L223-L343 HydrophobicContact CD2-CD1 3.94Å; L223-L343 HydrophobicContact CD2-CD2 3.84Å; L223-L343 HydrophobicContact CD2-CG 4.29Å; L223-L343 HydrophobicContact CG-CD2 3.99Å
224R94Very high95.7Very high41 Ų4121.5 Ų21.516%0.15511%0.108CC..Hα-helixtrans-65.3-35.9177.9-73179.8179.2165.67.5113Y165 D216 V220 K221 C226 G227 P230Y165-R224 HydrophobicContact CD1-CG 4.41Å; Y165-R224 VanDerWaalsContact CZ-NH1 3.25Å; Y165-R224 VanDerWaalsContact OH-CZ 3.27Å; Y165-R224 PolarHBondContact OH-NH1 3.47Å; Y165-R224 PolarHBondContact OH-NH2 2.94Å; D216-R224 IonicContact OD1-CZ 3.67Å; D216-R224 IonicContact OD1-NH1 3.75Å; D216-R224 IonicContact OD1-NH2 2.8Å; D216-R224 PolarHBondContact OD1-NH2 3.32Å; D216-R224 IonicContact OD2-CZ 2.81Å; D216-R224 IonicContact OD2-NH1 3.98Å; D216-R224 PolarHBondContact OD2-NH1 2.65Å; D216-R224 IonicContact OD2-NH2 3.88Å; V220-R224 WeakPolarHBondContact O-CG 3.27Å; V220-R224 PolarHBondContact O-N 3.28Å; K221-R224 PolarHBondContact O-N 3.48Å; R224-C226 VanDerWaalsContact C-N 3.28Å; R224-C226 PolarHBondContact O-N 2.99Å; R224-G227 VanDerWaalsContact O-CA 3.29Å; R224-G227 WeakPolarHBondContact O-CA 3.32Å; R224-G227 PolarHBondContact O-N 3.43Å; R224-P230 HydrophobicContact CG-CG 4.47Å
225D92.5Very high95.8Very high84 Ų8414.2 Ų14.245%0.4497%0.074SC..Hα-helixtrans-66.8-29.8174-75.79.5000112.4K221 A222 L223 G227 Y351K221-D225 PolarHBondContact O-N 3.35Å; A222-D225 PolarHBondContact O-N 3.26Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 2.94Å; D225-G227 PolarHBondContact O-N 2.84Å; D225-Y351 PolarHBondContact OD1-OH 2.86Å; D225-Y351 WeakPolarHBondContact OD2-CE2 2.95Å; D225-Y351 PolarHBondContact OD2-OH 3.14Å
226C92.8Very high95.8Very high8 Ų810.4 Ų10.45%0.0545%0.054CC..THydrogen-bonded Turntrans-72.1-2.6167.9-61.90000112.9S181 I183 A222 L223 R224 T228 S342S181-C226 WeakPolarHBondContact CB-O 3.45Å; S181-C226 PolarHBondContact OG-O 2.99Å; I183-C226 HydrophobicContact CD1-CB 4.11Å; I183-C226 HydrophobicContact CG1-CB 4.17Å; A222-C226 PolarHBondContact O-N 3.46Å; A222-C226 PolarHBondContact O-SG 2.97Å; L223-C226 WeakPolarHBondContact O-CB 3.26Å; L223-C226 PolarHBondContact O-N 3.38Å; L223-C226 VanDerWaalsContact O-N 3.16Å; R224-C226 VanDerWaalsContact C-N 3.28Å; R224-C226 PolarHBondContact O-N 2.99Å; C226-T228 VanDerWaalsContact C-N 3.3Å; C226-T228 PolarHBondContact O-N 3.4Å; C226-S342 PolarHBondContact SG-O 3Å
227G93Very high95.8Very high9 Ų910.8 Ų10.89%0.0936%0.055CC..THydrogen-bonded Turntrans74.911.3-176.800000114.9H184 G185 L223 R224 D225H184-G227 WeakPolarHBondContact ND1-CA 3.31Å; G185-G227 PolarHBondContact N-O 3.26Å; L223-G227 PolarHBondContact O-N 3.32Å; R224-G227 VanDerWaalsContact O-CA 3.29Å; R224-G227 WeakPolarHBondContact O-CA 3.32Å; R224-G227 PolarHBondContact O-N 3.43Å; D225-G227 PolarHBondContact O-N 2.84Å
228T95.3Very high95.5Very high1 Ų110.8 Ų10.81%0.0065%0.054CC..  trans-80.3152.9172.6-175.40000110.7I183 I186 I188 L223 C226 P230I183-T228 HydrophobicContact CD1-CG2 3.89Å; I186-T228 WeakPolarHBondContact O-CA 3.27Å; I186-T228 WeakPolarHBondContact O-CB 3.35Å; I186-T228 PolarHBondContact O-OG1 3.49Å; I188-T228 HydrophobicContact CG2-CG2 4.11Å; I188-T228 WeakPolarHBondContact CG2-OG1 3.37Å; L223-T228 VanDerWaalsContact C-CG2 3.44Å; L223-T228 HydrophobicContact CB-CG2 3.53Å; L223-T228 HydrophobicContact CD2-CG2 3.57Å; L223-T228 HydrophobicContact CG-CG2 4.14Å; L223-T228 WeakPolarHBondContact O-CG2 3.48Å; L223-T228 PolarHBondContact O-N 3.41Å; L223-T228 VanDerWaalsContact O-N 3.16Å; C226-T228 VanDerWaalsContact C-N 3.3Å; C226-T228 PolarHBondContact O-N 3.4Å; T228-P230 WeakPolarHBondContact O-CD 3.4Å
229I97Very high95.1Very high1 Ų113 Ų131%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-117.5103.2-168.1-56.8151.7000109.4L137 A162 A166 A169 I186 P187 I188 V231L137-I229 HydrophobicContact CD1-CG2 3.97Å; A162-I229 HydrophobicContact CB-CG2 4.03Å; A166-I229 HydrophobicContact CB-CD1 3.73Å; A169-I229 HydrophobicContact CB-CD1 4.48Å; I186-I229 PolarHBondContact O-N 3.31Å; I186-I229 VanDerWaalsContact O-N 3.08Å; P187-I229 CarbonylContact C-O 3.53Å; P187-I229 VanDerWaalsContact CA-O 3.24Å; P187-I229 WeakPolarHBondContact CA-O 3.38Å; I188-I229 PolarHBondContact N-O 3.15Å; I229-V231 PolarHBondContact O-N 2.82Å; I229-V231 VanDerWaalsContact O-N 3.12Å
230P97.6Very high94.7Very high3 Ų313.3 Ų13.32%0.0197%0.065CC..EExtended strand (participates in β ladder)trans-56.3118.9169.6-26.135.7000110.6I159 I188 L190 I196 V220 R224 T228I159-P230 HydrophobicContact CD1-CB 3.72Å; I159-P230 WeakPolarHBondContact CD1-O 3.47Å; I188-P230 HydrophobicContact CG2-CG 4.34Å; I188-P230 WeakPolarHBondContact O-CA 3.37Å; L190-P230 HydrophobicContact CD1-CB 4.09Å; L190-P230 HydrophobicContact CD1-CG 4.22Å; I196-P230 HydrophobicContact CD1-CB 4.2Å; V220-P230 HydrophobicContact CG1-CG 4.46Å; R224-P230 HydrophobicContact CG-CG 4.47Å; T228-P230 WeakPolarHBondContact O-CD 3.4Å
231V97.1Very high94.4Very high0 Ų014.8 Ų14.80%07%0.073CC..EExtended strand (participates in β ladder)trans-115.1-35.9-175.861.60000113.3L137 Q141 I159 P187 I188 I229L137-V231 HydrophobicContact CD1-CB 3.86Å; L137-V231 HydrophobicContact CD1-CG2 3.47Å; L137-V231 VanDerWaalsContact CD1-CG2 3.47Å; Q141-V231 HydrophobicContact CG-CG2 3.74Å; I159-V231 PolarHBondContact N-O 3.3Å; P187-V231 HydrophobicContact CB-CB 4.09Å; P187-V231 HydrophobicContact CB-CG1 3.66Å; I188-V231 PolarHBondContact O-N 3.11Å; I229-V231 PolarHBondContact O-N 2.82Å; I229-V231 VanDerWaalsContact O-N 3.12Å
232I97.8Very high94.2Very high0 Ų012.8 Ų12.80%07%0.066CC..EExtended strand (participates in β ladder)trans-135.4131.3-171.9-71172.6000109.7I155 I158 A189 L190 T234 L270 G275I155-I232 HydrophobicContact CB-CG2 4.41Å; I155-I232 HydrophobicContact CD1-CD1 4.11Å; I155-I232 HydrophobicContact CD1-CG2 4.45Å; I155-I232 HydrophobicContact CG1-CG2 3.91Å; I155-I232 HydrophobicContact CG2-CG2 4.02Å; I158-I232 HydrophobicContact CG1-CG1 4.46Å; A189-I232 CarbonylContact C-O 3.5Å; A189-I232 VanDerWaalsContact CA-O 3.27Å; A189-I232 WeakPolarHBondContact CA-O 3.38Å; A189-I232 HydrophobicContact CB-CB 4.17Å; A189-I232 HydrophobicContact CB-CG2 4.46Å; L190-I232 PolarHBondContact N-O 2.93Å; I232-T234 HydrophobicContact CG2-CG2 4.14Å; I232-L270 HydrophobicContact CB-CD2 4.28Å; I232-L270 HydrophobicContact CD1-CD1 4.06Å; I232-L270 HydrophobicContact CD1-CD2 4.29Å; I232-L270 HydrophobicContact CG2-CD1 4.49Å; I232-L270 HydrophobicContact CG2-CD2 3.77Å; I232-G275 VanDerWaalsContact CD1-O 3.27Å; I232-G275 WeakPolarHBondContact CD1-O 3.27Å
233L98.2Very high94.2Very high0 Ų013.1 Ų13.10%07%0.067CC..EExtended strand (participates in β ladder)trans-91.6124.8163.2-65.1-178.6000109.1S156 E157 I159 L190 E192 I196 Y199S156-L233 WeakPolarHBondContact CA-O 3.49Å; S156-L233 WeakPolarHBondContact CB-O 3.4Å; S156-L233 PolarHBondContact N-O 3.49Å; E157-L233 HydrophobicContact CB-CB 4.34Å; E157-L233 HydrophobicContact CB-CD1 4.48Å; E157-L233 PolarHBondContact N-O 2.91Å; E157-L233 PolarHBondContact O-N 3.02Å; I159-L233 HydrophobicContact CD1-CG 4.44Å; I159-L233 HydrophobicContact CG1-CG 4.46Å; L190-L233 HydrophobicContact CB-CD2 4.17Å; L190-L233 CarbonylContact O-C 3.29Å; L190-L233 VanDerWaalsContact O-CA 3.31Å; L190-L233 WeakPolarHBondContact O-CA 3.24Å; E192-L233 HydrophobicContact CB-CB 4.25Å; I196-L233 HydrophobicContact CD1-CD2 3.58Å; I196-L233 HydrophobicContact CD1-CG 4.39Å; I196-L233 HydrophobicContact CG1-CD2 4.41Å; Y199-L233 HydrophobicContact CD1-CD1 3.97Å; Y199-L233 HydrophobicContact CG-CD1 4.13Å
234T98.1Very high94.2Very high0 Ų014 Ų140%07%0.073CC..EExtended strand (participates in β ladder)trans-94156.9-175.565.70000112.4C154 A189 L190 E191 E192 I232 T267 L270C154-T234 WeakPolarHBondContact O-CA 3.27Å; A189-T234 HydrophobicContact CB-CG2 3.99Å; L190-T234 PolarHBondContact O-N 3.22Å; L190-T234 PolarHBondContact O-OG1 3.12Å; E191-T234 VanDerWaalsContact CA-OG1 3.32Å; E191-T234 WeakPolarHBondContact CA-OG1 3.22Å; E191-T234 WeakPolarHBondContact CG-OG1 3.5Å; E192-T234 VanDerWaalsContact CB-O 3.29Å; E192-T234 WeakPolarHBondContact CB-O 3.28Å; E192-T234 PolarHBondContact N-O 3.2Å; I232-T234 HydrophobicContact CG2-CG2 4.14Å; T234-T267 HydrophobicContact CG2-CG2 4.04Å; T234-T267 VanDerWaalsContact OG1-CG2 3.26Å; T234-T267 WeakPolarHBondContact OG1-CG2 3.33Å; T234-L270 HydrophobicContact CG2-CD2 3.61Å
235N97.4Very high94.3Very high0 Ų012 Ų120%07%0.066CC..PPolyproline II helixtrans-66.6147.2-179.7-166.514.1000112.3N153 C154 N247 T250 G251 T253 G266N153-N235 WeakPolarHBondContact O-CB 3.35Å; N153-N235 PolarHBondContact O-ND2 3.47Å; C154-N235 PolarHBondContact O-N 2.92Å; N235-N247 PolarHBondContact OD1-ND2 2.93Å; N235-T250 PolarHBondContact ND2-OG1 3.38Å; N235-T250 VanDerWaalsContact ND2-OG1 3.12Å; N235-T250 WeakPolarHBondContact OD1-CB 3.08Å; N235-T250 PolarHBondContact OD1-OG1 2.79Å; N235-G251 PolarHBondContact ND2-O 3.41Å; N235-T253 PolarHBondContact ND2-OG1 3.05Å; N235-G266 PolarHBondContact O-N 2.94Å
236V96.2Very high94.5Very high5 Ų510.2 Ų10.23%0.036%0.056CC..  trans-128.1151.9-176.5-61.30000110.7E191 E192 I193 N247E191-V236 HydrophobicContact CB-CG1 4.07Å; E191-V236 HydrophobicContact CG-CG1 4.42Å; E192-V236 HydrophobicContact CB-CG1 4.28Å; I193-V236 HydrophobicContact CG2-CB 4.49Å; I193-V236 HydrophobicContact CG2-CG1 4.04Å; V236-N247 PolarHBondContact O-ND2 3.42Å
237K94.6Very high94.6Very high21 Ų2110 Ų109%0.0916%0.055CC..  trans-79.8136.2175.159.6-176.9-176.1167.70110.9K239 I240 G242 S244 V264 E287K237-K239 VanDerWaalsContact C-N 3.27Å; K237-K239 WeakPolarHBondContact CD-O 3.49Å; K237-K239 WeakPolarHBondContact CE-O 3.19Å; K237-K239 VanDerWaalsContact CG-O 3.27Å; K237-K239 WeakPolarHBondContact CG-O 3.35Å; K237-K239 PolarHBondContact O-N 3.17Å; K237-I240 PolarHBondContact NZ-O 3.04Å; K237-G242 VanDerWaalsContact CD-O 3.3Å; K237-G242 WeakPolarHBondContact CD-O 3.37Å; K237-G242 PolarHBondContact NZ-O 3.22Å; K237-S244 WeakPolarHBondContact CB-O 3.48Å; K237-V264 HydrophobicContact CD-CG1 4.01Å; K237-E287 WeakPolarHBondContact CE-OE1 3.23Å; K237-E287 IonicContact NZ-OE1 3.91Å; K237-E287 PolarHBondContact NZ-OE1 3.14Å
238Q91.5Very high94.6Very high2 Ų210 Ų101%0.0095%0.053CC..SBendtrans-71.7-23.7171.6-168.5179.751.800112.1G204 Y205 N246 N247 I450 Q456G204-Q238 PolarHBondContact O-NE2 3.43Å; Y205-Q238 HydrophobicContact CD1-CG 4.24Å; Y205-Q238 HydrophobicContact CE1-CG 3.96Å; Y205-Q238 PolarHBondContact OH-O 2.55Å; Q238-N246 PolarHBondContact N-O 3.3Å; Q238-N247 HydrophobicContact CB-CB 4.04Å; Q238-I450 PolarHBondContact NE2-O 3.23Å; Q238-Q456 PolarHBondContact O-NE2 3.05Å
239K86.7Confident94.6Very high50 Ų5010.6 Ų10.622%0.2176%0.056CC..  trans-98126.2179-24.9-174.4-177.9148.10111.2K237 G242 D453 Q456K237-K239 VanDerWaalsContact C-N 3.27Å; K237-K239 WeakPolarHBondContact CD-O 3.49Å; K237-K239 WeakPolarHBondContact CE-O 3.19Å; K237-K239 VanDerWaalsContact CG-O 3.27Å; K237-K239 WeakPolarHBondContact CG-O 3.35Å; K237-K239 PolarHBondContact O-N 3.17Å; K239-G242 PolarHBondContact O-N 2.91Å; K239-D453 HydrophobicContact CD-CB 4.47Å; K239-D453 WeakPolarHBondContact CE-OD2 3.46Å; K239-D453 VanDerWaalsContact NZ-CG 3.33Å; K239-D453 IonicContact NZ-OD2 3.73Å; K239-D453 PolarHBondContact NZ-OD2 3.16Å; K239-Q456 HydrophobicContact CB-CG 4.45Å; K239-Q456 HydrophobicContact CD-CG 3.97Å; K239-Q456 HydrophobicContact CG-CG 3.94Å
240I86.3Confident94.5Very high9 Ų911.6 Ų11.65%0.0466%0.062CC..THydrogen-bonded Turntrans-65.2-48.7171.4-55.1-167.5000110.3M203 K237 G242 L285 L318 L430 M434M203-I240 HydrophobicContact CE-CD1 3.65Å; M203-I240 HydrophobicContact CE-CG1 3.88Å; K237-I240 PolarHBondContact NZ-O 3.04Å; I240-G242 PolarHBondContact O-N 3.33Å; I240-L285 HydrophobicContact CG2-CD1 4.15Å; I240-L318 HydrophobicContact CD1-CD2 4.31Å; I240-L430 HydrophobicContact CG2-CD2 3.97Å; I240-M434 HydrophobicContact CB-CE 3.88Å; I240-M434 HydrophobicContact CB-SD 4.11Å; I240-M434 HydrophobicContact CD1-CE 3.57Å; I240-M434 HydrophobicContact CD1-CG 4.21Å; I240-M434 HydrophobicContact CD1-SD 3.76Å; I240-M434 HydrophobicContact CG1-CE 3.77Å; I240-M434 HydrophobicContact CG1-SD 4.31Å; I240-M434 HydrophobicContact CG2-SD 4.34Å
241L89.6Confident94.3Very high31 Ų3112.5 Ų12.516%0.1627%0.072CC..THydrogen-bonded Turntrans-83.944.7176.7-57.8-180000113.2L285 I427 L430 T546 L550L241-L285 HydrophobicContact CD2-CD1 3.6Å; L241-I427 HydrophobicContact CD2-CD1 3.96Å; L241-L430 HydrophobicContact CD2-CD2 3.99Å; L241-T546 WeakPolarHBondContact O-CG2 3.21Å; L241-L550 HydrophobicContact CD2-CD1 4.08Å
242G92.5Very high94.3Very high4 Ų415 Ų154%0.0419%0.085CC..  trans-130.5159.2178.500000112.9K237 K239 I240K237-G242 VanDerWaalsContact CD-O 3.3Å; K237-G242 WeakPolarHBondContact CD-O 3.37Å; K237-G242 PolarHBondContact NZ-O 3.22Å; K239-G242 PolarHBondContact O-N 2.91Å; I240-G242 PolarHBondContact O-N 3.33Å
243L95.5Very high94.3Very high6 Ų615.1 Ų15.13%0.0319%0.086CC..SBendtrans-108-0.9177.6-61179.8000114A262 C263 V264 L290 F294 P537 T546 V549 L550L243-A262 HydrophobicContact CB-CB 4.15Å; L243-C263 CarbonylContact O-C 3.54Å; L243-V264 HydrophobicContact CB-CG2 4.48Å; L243-V264 HydrophobicContact CD2-CG2 4.36Å; L243-V264 VanDerWaalsContact O-CA 3.23Å; L243-V264 WeakPolarHBondContact O-CA 3.41Å; L243-V264 WeakPolarHBondContact O-CG2 3.46Å; L243-V264 PolarHBondContact O-N 2.86Å; L243-L290 HydrophobicContact CD2-CD1 4.08Å; L243-F294 HydrophobicContact CD1-CE2 4.49Å; L243-P537 HydrophobicContact CD1-CG 3.63Å; L243-T546 HydrophobicContact CD1-CG2 4.41Å; L243-T546 HydrophobicContact CD2-CG2 4.29Å; L243-T546 HydrophobicContact CG-CG2 3.86Å; L243-V549 HydrophobicContact CD1-CB 3.95Å; L243-V549 HydrophobicContact CD1-CG1 4.03Å; L243-V549 HydrophobicContact CD1-CG2 3.9Å; L243-V549 HydrophobicContact CD2-CB 4.39Å; L243-V549 HydrophobicContact CD2-CG1 3.87Å; L243-L550 HydrophobicContact CD2-CD2 4.2Å
244S95Very high94.2Very high18 Ų1817 Ų1713%0.12610%0.099CC..SBendtrans-123.5124.1-174.2-48.40000110.4K237 N246 C263 D539K237-S244 WeakPolarHBondContact CB-O 3.48Å; S244-N246 VanDerWaalsContact C-N 3.3Å; S244-N246 PolarHBondContact O-N 3.45Å; S244-C263 CarbonylContact C-O 3.59Å; S244-C263 WeakPolarHBondContact CA-O 3.28Å; S244-D539 WeakPolarHBondContact OG-CA 3.48Å; S244-D539 PolarHBondContact OG-O 3.14Å
245A96.3Very high94.2Very high0 Ų017.1 Ų17.10%010%0.099CC..  trans-70.386.6172.900000109.2L252 T253 C263A245-L252 WeakPolarHBondContact O-CA 3.48Å; A245-T253 WeakPolarHBondContact CB-OG1 3.5Å; A245-T253 PolarHBondContact O-N 2.99Å; A245-T253 PolarHBondContact O-OG1 2.98Å; A245-C263 WeakPolarHBondContact CB-O 3.46Å; A245-C263 PolarHBondContact N-O 3.4Å
246N95.3Very high94.1Very high47 Ų4718.5 Ų18.525%0.25111%0.108SC..EExtended strand (participates in β ladder)trans-134.1125.9177.4-167.3-3000109.1Q238 S244 G251 L252 V452Q238-N246 PolarHBondContact N-O 3.3Å; S244-N246 VanDerWaalsContact C-N 3.3Å; S244-N246 PolarHBondContact O-N 3.45Å; N246-G251 WeakPolarHBondContact CA-O 3.33Å; N246-L252 HydrophobicContact CB-CB 4.25Å; N246-L252 HydrophobicContact CB-CD1 3.81Å; N246-L252 PolarHBondContact OD1-N 3.2Å; N246-V452 WeakPolarHBondContact ND2-CG1 3.49Å
247N95.3Very high94Very high3 Ų321.7 Ų21.72%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-149.9162.8176.175.161.5000109.4N235 V236 Q238 I249 T250 G251 V452N235-N247 PolarHBondContact OD1-ND2 2.93Å; V236-N247 PolarHBondContact O-ND2 3.42Å; Q238-N247 HydrophobicContact CB-CB 4.04Å; N247-I249 PolarHBondContact O-N 2.86Å; N247-I249 WeakPolarHBondContact OD1-CA 3.3Å; N247-I249 VanDerWaalsContact OD1-CB 3.28Å; N247-I249 WeakPolarHBondContact OD1-CB 3.47Å; N247-I249 PolarHBondContact OD1-N 3.31Å; N247-T250 VanDerWaalsContact CG-OG1 3.29Å; N247-T250 PolarHBondContact ND2-OG1 2.86Å; N247-T250 PolarHBondContact OD1-N 3.45Å; N247-T250 PolarHBondContact OD1-OG1 2.71Å; N247-T250 VanDerWaalsContact OD1-OG1 3.07Å; N247-G251 PolarHBondContact N-O 2.81Å; N247-G251 WeakPolarHBondContact O-CA 3.31Å; N247-G251 PolarHBondContact O-N 3.2Å; N247-V452 VanDerWaalsContact C-CG2 3.48Å
248P93.7Very high94.1Very high10 Ų1022.5 Ų22.57%0.06513%0.132CC..THydrogen-bonded Turntrans-72.2-15.7-173.330.7-34000113.5L75 R79 G204 T206 I450 V452L75-P248 HydrophobicContact CD2-CB 4.44Å; R79-P248 PolarHBondContact NH2-O 2.92Å; G204-P248 VanDerWaalsContact O-CD 3.3Å; G204-P248 WeakPolarHBondContact O-CD 3.29Å; T206-P248 WeakPolarHBondContact OG1-CG 3.41Å; P248-I450 HydrophobicContact CB-CB 4.12Å; P248-I450 HydrophobicContact CB-CG2 3.75Å; P248-I450 HydrophobicContact CG-CB 4.24Å; P248-I450 HydrophobicContact CG-CG2 4.31Å; P248-V452 HydrophobicContact CB-CG2 4.11Å; P248-V452 HydrophobicContact CG-CG2 4.41Å
249I95.2Very high94.3Very high12 Ų1227.3 Ų27.36%0.06216%0.163CC..THydrogen-bonded Turntrans-80.1-59.2-174.5-54.5163.9000109.4L75 K78 T202 T209 N247L75-I249 HydrophobicContact CD1-CB 4.42Å; L75-I249 HydrophobicContact CD1-CG1 4.03Å; K78-I249 HydrophobicContact CG-CG2 4.17Å; T202-I249 HydrophobicContact CG2-CD1 3.79Å; T202-I249 WeakPolarHBondContact OG1-CD1 3.08Å; T209-I249 HydrophobicContact CG2-CD1 3.48Å; T209-I249 VanDerWaalsContact CG2-CD1 3.48Å; T209-I249 HydrophobicContact CG2-CG1 3.87Å; N247-I249 PolarHBondContact O-N 2.86Å; N247-I249 WeakPolarHBondContact OD1-CA 3.3Å; N247-I249 VanDerWaalsContact OD1-CB 3.28Å; N247-I249 WeakPolarHBondContact OD1-CB 3.47Å; N247-I249 PolarHBondContact OD1-N 3.31Å
250T94.3Very high94.6Very high22 Ų2226 Ų2614%0.13516%0.164CC..THydrogen-bonded Turntrans-98.5-24-174.454.10000113.2S156 N235 N247S156-T250 WeakPolarHBondContact OG-CG2 3.35Å; N235-T250 PolarHBondContact ND2-OG1 3.38Å; N235-T250 VanDerWaalsContact ND2-OG1 3.12Å; N235-T250 WeakPolarHBondContact OD1-CB 3.08Å; N235-T250 PolarHBondContact OD1-OG1 2.79Å; N247-T250 VanDerWaalsContact CG-OG1 3.29Å; N247-T250 PolarHBondContact ND2-OG1 2.86Å; N247-T250 PolarHBondContact OD1-N 3.45Å; N247-T250 PolarHBondContact OD1-OG1 2.71Å; N247-T250 VanDerWaalsContact OD1-OG1 3.07Å
251G94.8Very high95.2Very high22 Ų2225.6 Ų25.623%0.22716%0.162CC..EExtended strand (participates in β ladder)trans88.3-163.9-173.900000113.7N235 N246 N247N235-G251 PolarHBondContact ND2-O 3.41Å; N246-G251 WeakPolarHBondContact CA-O 3.33Å; N247-G251 PolarHBondContact N-O 2.81Å; N247-G251 WeakPolarHBondContact O-CA 3.31Å; N247-G251 PolarHBondContact O-N 3.2Å
252L96.4Very high95.5Very high54 Ų5424.1 Ų24.128%0.28315%0.154SC..EExtended strand (participates in β ladder)trans-85.4122.6-178.5174.764.6000110.7N153 A245 N246 D539N153-L252 VanDerWaalsContact CB-O 3.27Å; N153-L252 WeakPolarHBondContact CB-O 3.39Å; N153-L252 PolarHBondContact ND2-O 2.74Å; A245-L252 WeakPolarHBondContact O-CA 3.48Å; N246-L252 HydrophobicContact CB-CB 4.25Å; N246-L252 HydrophobicContact CB-CD1 3.81Å; N246-L252 PolarHBondContact OD1-N 3.2Å; L252-D539 HydrophobicContact CD1-CB 4.35Å; L252-D539 WeakPolarHBondContact CD2-OD2 3.38Å
253T97.5Very high95.7Very high1 Ų124 Ų241%0.00615%0.153CC..PPolyproline II helixtrans-66.8126.9170.7-57.40000110.7S152 N153 C154 N235 A245 C263 P269S152-T253 WeakPolarHBondContact O-CA 3.44Å; N153-T253 PolarHBondContact O-OG1 2.84Å; C154-T253 HydrophobicContact CB-CG2 3.86Å; N235-T253 PolarHBondContact ND2-OG1 3.05Å; A245-T253 WeakPolarHBondContact CB-OG1 3.5Å; A245-T253 PolarHBondContact O-N 2.99Å; A245-T253 PolarHBondContact O-OG1 2.98Å; T253-C263 HydrophobicContact CG2-CB 3.97Å; T253-P269 HydrophobicContact CG2-CB 4.23Å; T253-P269 HydrophobicContact CG2-CG 3.76Å
254S96.5Very high95.8Very high40 Ų4023.8 Ų23.828%0.2815%0.151SC..PPolyproline II helixtrans-85.3138.8173.5-176.20000111S152S152-S254 PolarHBondContact O-N 3.49Å
255H97.5Very high95.8Very high2 Ų223 Ų231%0.00915%0.146CC..PPolyproline II helixtrans-66.4135.8170.6-169.5-83.9000111.3T257 H258 R261 C263 F294H255-T257 PolarHBondContact CE1-OG1 3.5Å; H255-T257 PolarHBondContact ND1-N 3.45Å; H255-T257 PolarHBondContact ND1-OG1 2.9Å; H255-T257 PolarHBondContact O-N 2.95Å; H255-H258 VanDerWaalsContact CB-O 3.32Å; H255-H258 WeakPolarHBondContact CB-O 3.44Å; H255-H258 PolarHBondContact ND1-N 3.34Å; H255-R261 HydrophobicContact CB-CB 3.88Å; H255-R261 WeakPolarHBondContact CB-O 3.36Å; H255-C263 WeakPolarHBondContact CA-SG 3.2Å; H255-C263 VanDerWaalsContact CD2-SG 3.53Å; H255-F294 PolarHBondContact NE2-O 2.88Å
256P95.6Very high95.9Very high29 Ų2923 Ų2319%0.18815%0.146CC..SBendtrans-68.9-30-167.125.5-37000114.2P269 V272 H273P256-P269 HydrophobicContact CG-CB 4.43Å; P256-V272 HydrophobicContact CB-CB 3.87Å; P256-V272 HydrophobicContact CB-CG1 3.68Å; P256-V272 HydrophobicContact CB-CG2 4.43Å; P256-V272 HydrophobicContact CG-CB 3.64Å; P256-V272 HydrophobicContact CG-CG1 3.67Å; P256-V272 HydrophobicContact CG-CG2 3.65Å; P256-H273 VanDerWaalsContact CB-CE1 3.5Å; P256-H273 WeakPolarHBondContact CB-CE1 3.11Å; P256-H273 WeakPolarHBondContact CB-NE2 3.41Å
257T94.7Very high96Very high73 Ų7320.8 Ų20.845%0.44813%0.134SC..SBendtrans-113.5-15.4-177.154.50000113.9H255H255-T257 PolarHBondContact CE1-OG1 3.5Å; H255-T257 PolarHBondContact ND1-N 3.45Å; H255-T257 PolarHBondContact ND1-OG1 2.9Å; H255-T257 PolarHBondContact O-N 2.95Å
258H96.3Very high96.1Very high38 Ų3820.6 Ų20.618%0.17613%0.133CC..SBendtrans-143.576.6-172.5-66.479.5000109.7H255 G260 R261 E604 L606H255-H258 VanDerWaalsContact CB-O 3.32Å; H255-H258 WeakPolarHBondContact CB-O 3.44Å; H255-H258 PolarHBondContact ND1-N 3.34Å; H258-G260 PolarHBondContact O-N 2.89Å; H258-R261 HydrophobicContact CB-CB 4.29Å; H258-R261 HydrophobicContact CB-CG 3.55Å; H258-R261 WeakPolarHBondContact O-CB 3.31Å; H258-R261 VanDerWaalsContact O-CG 3.29Å; H258-R261 WeakPolarHBondContact O-CG 3.29Å; H258-R261 PolarHBondContact O-N 3.25Å; H258-R261 VanDerWaalsContact O-N 3.07Å; H258-E604 PolarHBondContact NE2-O 3.09Å; H258-L606 HydrophobicContact CB-CD2 3.95Å; H258-L606 WeakPolarHBondContact ND1-CD2 3.35Å
259P94.7Very high96.3Very high102 Ų10220.1 Ų20.166%0.66213%0.13SC*.THydrogen-bonded Turntrans-50.3136.9179.9-26.535.4000111.9
260G94.9Very high96.4Very high22 Ų2219.6 Ų19.623%0.22713%0.127CC..THydrogen-bonded Turntrans92.2-8.6-173.600000114.8H258 W538 D539H258-G260 PolarHBondContact O-N 2.89Å; G260-W538 CarbonylContact O-C 3.51Å; G260-W538 WeakPolarHBondContact O-CA 3.41Å; G260-D539 WeakPolarHBondContact CA-OD2 3.46Å; G260-D539 VanDerWaalsContact O-CG 3.23Å; G260-D539 PolarHBondContact O-N 3.36Å
261R97.3Very high96.5Very high2 Ų218.5 Ų18.51%0.00812%0.121CC..BIsolated β-bridgetrans-84.2151.2172-59.6-56.1-169.2161.12.3112.3H255 H258 A536 P537 Q599 K601 H602 L606H255-R261 HydrophobicContact CB-CB 3.88Å; H255-R261 WeakPolarHBondContact CB-O 3.36Å; H258-R261 HydrophobicContact CB-CB 4.29Å; H258-R261 HydrophobicContact CB-CG 3.55Å; H258-R261 WeakPolarHBondContact O-CB 3.31Å; H258-R261 VanDerWaalsContact O-CG 3.29Å; H258-R261 WeakPolarHBondContact O-CG 3.29Å; H258-R261 PolarHBondContact O-N 3.25Å; H258-R261 VanDerWaalsContact O-N 3.07Å; R261-A536 HydrophobicContact CB-CB 4.16Å; R261-A536 WeakPolarHBondContact CD-O 3.32Å; R261-A536 PolarHBondContact NH1-O 3.46Å; R261-P537 CarbonylContact C-O 3.5Å; R261-P537 WeakPolarHBondContact CA-O 3.39Å; R261-Q599 PolarHBondContact NH1-O 2.97Å; R261-Q599 PolarHBondContact NH2-O 3.43Å; R261-K601 PolarHBondContact NH2-O 2.86Å; R261-H602 PolarHBondContact NH2-O 3.08Å; R261-L606 HydrophobicContact CG-CD1 4.19Å; R261-L606 HydrophobicContact CG-CD2 4.34Å
262A96.6Very high96.6Very high0 Ų019.3 Ų19.30%012%0.121CC..  trans-69.9131.5-176.800000111.9L243 P537L243-A262 HydrophobicContact CB-CB 4.15Å; A262-P537 HydrophobicContact CB-CG 4.09Å; A262-P537 WeakPolarHBondContact CB-O 3.37Å; A262-P537 PolarHBondContact N-O 2.63Å
263C97Very high96.6Very high1 Ų118.8 Ų18.81%0.00712%0.117CC..  trans-119.5119.8166.5-67.70000108.8L243 S244 A245 T253 H255 S265 P269L243-C263 CarbonylContact O-C 3.54Å; S244-C263 CarbonylContact C-O 3.59Å; S244-C263 WeakPolarHBondContact CA-O 3.28Å; A245-C263 WeakPolarHBondContact CB-O 3.46Å; A245-C263 PolarHBondContact N-O 3.4Å; T253-C263 HydrophobicContact CG2-CB 3.97Å; H255-C263 WeakPolarHBondContact CA-SG 3.2Å; H255-C263 VanDerWaalsContact CD2-SG 3.53Å; C263-S265 PolarHBondContact O-N 3.42Å; C263-P269 HydrophobicContact CB-CG 3.82Å; C263-P269 WeakPolarHBondContact SG-CG 3.16Å
264V96.8Very high96.5Very high1 Ų122.6 Ų22.61%0.00613%0.134CC..SBendtrans-68.6-36-172-174.20000112.5K237 L243 E287 L290 F294K237-V264 HydrophobicContact CD-CG1 4.01Å; L243-V264 HydrophobicContact CB-CG2 4.48Å; L243-V264 HydrophobicContact CD2-CG2 4.36Å; L243-V264 VanDerWaalsContact O-CA 3.23Å; L243-V264 WeakPolarHBondContact O-CA 3.41Å; L243-V264 WeakPolarHBondContact O-CG2 3.46Å; L243-V264 PolarHBondContact O-N 2.86Å; V264-E287 HydrophobicContact CG1-CB 3.97Å; V264-E287 HydrophobicContact CG1-CG 3.87Å; V264-L290 HydrophobicContact CB-CB 4.47Å; V264-L290 HydrophobicContact CG2-CB 3.64Å; V264-F294 HydrophobicContact CG2-CD2 3.99Å; V264-F294 HydrophobicContact CG2-CE2 3.95Å
265S96Very high96.5Very high2 Ų220.7 Ų20.71%0.01412%0.121CC..SBendtrans-139.3176.7170.460.40000110.4E191 C263 T267 P269 S291E191-S265 VanDerWaalsContact OE1-CB 3.26Å; E191-S265 WeakPolarHBondContact OE1-CB 3.41Å; E191-S265 PolarHBondContact OE1-OG 3.24Å; C263-S265 PolarHBondContact O-N 3.42Å; S265-T267 VanDerWaalsContact C-N 3.29Å; S265-T267 PolarHBondContact OG-OG1 3Å; S265-P269 WeakPolarHBondContact O-CD 3.43Å; S265-S291 WeakPolarHBondContact OG-CB 3.35Å; S265-S291 PolarHBondContact OG-OG 3.24Å
266G97Very high96.4Very high0 Ų020.6 Ų20.60%012%0.12CC..SBendtrans-75.1-14.2174.500000114.5C154 N235 L270C154-G266 WeakPolarHBondContact CB-O 3.24Å; C154-G266 WeakPolarHBondContact O-CA 3.32Å; N235-G266 PolarHBondContact O-N 2.94Å; G266-L270 VanDerWaalsContact O-CB 3.24Å; G266-L270 WeakPolarHBondContact O-CB 3.21Å; G266-L270 PolarHBondContact O-N 3.31Å
267T97.8Very high96.5Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-63.9-48.3-175.255.40000112.9E191 T234 S265 L270 L271 A279 S291 M329E191-T267 HydrophobicContact CG-CG2 3.61Å; T234-T267 HydrophobicContact CG2-CG2 4.04Å; T234-T267 VanDerWaalsContact OG1-CG2 3.26Å; T234-T267 WeakPolarHBondContact OG1-CG2 3.33Å; S265-T267 VanDerWaalsContact C-N 3.29Å; S265-T267 PolarHBondContact OG-OG1 3Å; T267-L270 PolarHBondContact O-N 2.96Å; T267-L271 WeakPolarHBondContact O-CG 3.4Å; T267-L271 PolarHBondContact O-N 3.36Å; T267-A279 HydrophobicContact CG2-CB 4.14Å; T267-S291 PolarHBondContact OG1-OG 3.05Å; T267-M329 VanDerWaalsContact CB-SD 3.58Å; T267-M329 HydrophobicContact CG2-SD 4.15Å; T267-M329 VanDerWaalsContact OG1-CE 3.29Å; T267-M329 WeakPolarHBondContact OG1-CE 3.39Å; T267-M329 PolarHBondContact OG1-SD 2.81Å
268G96.9Very high96.7Very high0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-56.3-57.1179.200000112.4L270 L271 V272 S291G268-L270 VanDerWaalsContact C-N 3.31Å; G268-L270 PolarHBondContact O-N 2.84Å; G268-L271 PolarHBondContact O-N 2.91Å; G268-V272 VanDerWaalsContact O-CG2 3.24Å; G268-V272 WeakPolarHBondContact O-CG2 3.39Å; G268-V272 PolarHBondContact O-N 3.15Å; G268-S291 PolarHBondContact N-OG 3.24Å
269P97.6Very high96.7Very high0 Ų014.1 Ų14.10%08%0.083CC..Hα-helixtrans-59.4-37.8176.5-2939.3000113.5C154 T253 P256 C263 S265 V272 H273 C295C154-P269 HydrophobicContact CB-CB 3.94Å; T253-P269 HydrophobicContact CG2-CB 4.23Å; T253-P269 HydrophobicContact CG2-CG 3.76Å; P256-P269 HydrophobicContact CG-CB 4.43Å; C263-P269 HydrophobicContact CB-CG 3.82Å; C263-P269 WeakPolarHBondContact SG-CG 3.16Å; S265-P269 WeakPolarHBondContact O-CD 3.43Å; P269-V272 PolarHBondContact O-N 2.85Å; P269-H273 WeakPolarHBondContact O-CB 3.49Å; P269-H273 PolarHBondContact O-CD2 2.96Å; P269-H273 PolarHBondContact O-N 3.36Å; P269-C295 VanDerWaalsContact CD-SG 3.5Å
270L97.9Very high96.9Very high0 Ų09.3 Ų9.30%05%0.051CC..Hα-helixtrans-60.9-45.1176.9-173.872.4000111.8L147 I155 A189 I232 T234 G266 T267 G268 H273 K274 G275L147-L270 HydrophobicContact CD1-CD1 3.86Å; I155-L270 HydrophobicContact CD1-CD1 3.98Å; I155-L270 HydrophobicContact CG1-CD1 3.84Å; A189-L270 HydrophobicContact CB-CD2 3.36Å; I232-L270 HydrophobicContact CB-CD2 4.28Å; I232-L270 HydrophobicContact CD1-CD1 4.06Å; I232-L270 HydrophobicContact CD1-CD2 4.29Å; I232-L270 HydrophobicContact CG2-CD1 4.49Å; I232-L270 HydrophobicContact CG2-CD2 3.77Å; T234-L270 HydrophobicContact CG2-CD2 3.61Å; G266-L270 VanDerWaalsContact O-CB 3.24Å; G266-L270 WeakPolarHBondContact O-CB 3.21Å; G266-L270 PolarHBondContact O-N 3.31Å; T267-L270 PolarHBondContact O-N 2.96Å; G268-L270 VanDerWaalsContact C-N 3.31Å; G268-L270 PolarHBondContact O-N 2.84Å; L270-H273 CarbonylContact O-C 3.53Å; L270-H273 PolarHBondContact O-N 2.81Å; L270-K274 PolarHBondContact O-N 3.03Å; L270-K274 VanDerWaalsContact O-N 3.12Å; L270-G275 PolarHBondContact O-N 2.65Å
271L97.7Very high97Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-63.6-39.3175.1-68.8170.8000111.6T267 G268 H273 K274 S276 A279 K297 M329 H331T267-L271 WeakPolarHBondContact O-CG 3.4Å; T267-L271 PolarHBondContact O-N 3.36Å; G268-L271 PolarHBondContact O-N 2.91Å; L271-H273 VanDerWaalsContact C-N 3.35Å; L271-K274 PolarHBondContact O-N 3.3Å; L271-S276 WeakPolarHBondContact CD2-O 3.31Å; L271-A279 HydrophobicContact CD1-CB 4.37Å; L271-A279 HydrophobicContact CD2-CB 4.31Å; L271-A279 HydrophobicContact CG-CB 4.38Å; L271-K297 HydrophobicContact CB-CD 4.13Å; L271-K297 HydrophobicContact CB-CG 4.05Å; L271-K297 HydrophobicContact CD1-CB 4.39Å; L271-K297 HydrophobicContact CD1-CG 4.37Å; L271-M329 HydrophobicContact CD1-CB 3.82Å; L271-M329 HydrophobicContact CD1-CE 4.37Å; L271-H331 PolarHBondContact O-CE1 2.92Å
272V96.8Very high96.9Very high38 Ų388.7 Ų8.723%0.234%0.042CC..Hα-helixtrans-64.4-42.8176.2-175.50000111.2P256 G268 P269 K274 C295 K297P256-V272 HydrophobicContact CB-CB 3.87Å; P256-V272 HydrophobicContact CB-CG1 3.68Å; P256-V272 HydrophobicContact CB-CG2 4.43Å; P256-V272 HydrophobicContact CG-CB 3.64Å; P256-V272 HydrophobicContact CG-CG1 3.67Å; P256-V272 HydrophobicContact CG-CG2 3.65Å; G268-V272 VanDerWaalsContact O-CG2 3.24Å; G268-V272 WeakPolarHBondContact O-CG2 3.39Å; G268-V272 PolarHBondContact O-N 3.15Å; P269-V272 PolarHBondContact O-N 2.85Å; V272-K274 PolarHBondContact O-N 2.87Å; V272-C295 HydrophobicContact CG2-CB 3.74Å; V272-C295 VanDerWaalsContact CG2-O 3.23Å; V272-C295 WeakPolarHBondContact CG2-O 3.26Å; V272-K297 HydrophobicContact CG2-CG 4.29Å
273H96.1Very high96.9Very high43 Ų438.7 Ų8.720%0.1994%0.042CC..THydrogen-bonded Turntrans-74.5-0.9178.4-73-46.3000114.1R143 L147 P256 P269 L270 L271 G275R143-H273 PolarHBondContact NE-O 2.97Å; R143-H273 PolarHBondContact NH2-O 3.2Å; L147-H273 HydrophobicContact CD1-CB 3.71Å; L147-H273 HydrophobicContact CD2-CB 3.64Å; L147-H273 HydrophobicContact CG-CB 4.34Å; P256-H273 VanDerWaalsContact CB-CE1 3.5Å; P256-H273 WeakPolarHBondContact CB-CE1 3.11Å; P256-H273 WeakPolarHBondContact CB-NE2 3.41Å; P269-H273 WeakPolarHBondContact O-CB 3.49Å; P269-H273 PolarHBondContact O-CD2 2.96Å; P269-H273 PolarHBondContact O-N 3.36Å; L270-H273 CarbonylContact O-C 3.53Å; L270-H273 PolarHBondContact O-N 2.81Å; L271-H273 VanDerWaalsContact C-N 3.35Å; H273-G275 PolarHBondContact O-N 2.93Å
274K95.6Very high96.8Very high82 Ų828.8 Ų8.836%0.3574%0.043SC..THydrogen-bonded Turntrans57.433.2-175.8-53.1178.7172.7-166.90112.1Y140 L270 L271 V272 S276Y140-K274 WeakPolarHBondContact CE1-O 3.24Å; L270-K274 PolarHBondContact O-N 3.03Å; L270-K274 VanDerWaalsContact O-N 3.12Å; L271-K274 PolarHBondContact O-N 3.3Å; V272-K274 PolarHBondContact O-N 2.87Å; K274-S276 VanDerWaalsContact C-N 3.29Å
275G95.4Very high96.7Very high0 Ų08.8 Ų8.80%04%0.043CC..SBendtrans-79.9-12.7175.900000113.3Y140 I232 L270 H273Y140-G275 VanDerWaalsContact CD1-O 3.28Å; Y140-G275 WeakPolarHBondContact CD1-O 3.28Å; I232-G275 VanDerWaalsContact CD1-O 3.27Å; I232-G275 WeakPolarHBondContact CD1-O 3.27Å; L270-G275 PolarHBondContact O-N 2.65Å; H273-G275 PolarHBondContact O-N 2.93Å
276S96.9Very high96.7Very high0 Ų08.7 Ų8.70%04%0.042CC..  trans-156.8146.4169.5-173.10000107.9A189 L271 K274 L278A189-S276 PolarHBondContact N-OG 2.92Å; L271-S276 WeakPolarHBondContact CD2-O 3.31Å; K274-S276 VanDerWaalsContact C-N 3.29Å; S276-L278 WeakPolarHBondContact CB-O 3.36Å; S276-L278 PolarHBondContact OG-O 2.96Å
277P96.7Very high96.7Very high4 Ų49 Ų93%0.0264%0.043CC..SBendtrans-78.6-27.7175.429.6-26.9000111.6L122 Y140 I186 P187 H331L122-P277 HydrophobicContact CD1-CB 4.31Å; Y140-P277 HydrophobicContact CE1-CG 4.48Å; Y140-P277 HydrophobicContact CE2-CG 3.97Å; Y140-P277 WeakPolarHBondContact OH-CB 3.5Å; I186-P277 HydrophobicContact CG2-CG 3.62Å; P187-P277 VanDerWaalsContact O-CD 3.27Å; P187-P277 WeakPolarHBondContact O-CD 3.48Å; P187-P277 VanDerWaalsContact O-CG 3.28Å; P187-P277 WeakPolarHBondContact O-CG 3.48Å; P277-H331 PolarHBondContact O-CD2 2.74Å; P277-H331 VanDerWaalsContact O-CD2 3.31Å
278L97.9Very high96.7Very high0 Ų09 Ų90%04%0.043CC..EExtended strand (participates in β ladder)trans-130.7150.1-175.9-66.3-179.7000109.9L119 I183 I186 I188 A189 S276 D335 I339L119-L278 HydrophobicContact CD1-CD1 4.16Å; L119-L278 HydrophobicContact CD1-CD2 4.48Å; L119-L278 HydrophobicContact CD1-CG 4.28Å; L119-L278 HydrophobicContact CD2-CD1 4.4Å; L119-L278 HydrophobicContact CD2-CD2 3.92Å; I183-L278 HydrophobicContact CB-CD1 4.34Å; I183-L278 HydrophobicContact CG2-CD1 3.92Å; I186-L278 HydrophobicContact CG2-CD1 3.86Å; I186-L278 HydrophobicContact CG2-CG 4.31Å; I188-L278 HydrophobicContact CB-CB 4.28Å; I188-L278 HydrophobicContact CD1-CB 3.99Å; I188-L278 HydrophobicContact CG1-CB 3.75Å; A189-L278 PolarHBondContact N-O 3.42Å; S276-L278 WeakPolarHBondContact CB-O 3.36Å; S276-L278 PolarHBondContact OG-O 2.96Å; L278-D335 HydrophobicContact CD2-CB 3.78Å; L278-I339 HydrophobicContact CB-CD1 4.07Å; L278-I339 HydrophobicContact CD1-CD1 4.02Å; L278-I339 HydrophobicContact CD1-CG1 3.9Å; L278-I339 HydrophobicContact CD2-CD1 3.76Å; L278-I339 HydrophobicContact CD2-CG1 4.23Å; L278-I339 HydrophobicContact CG-CD1 4.15Å
279A98.3Very high96.8Very high0 Ų09 Ų90%04%0.043CC..EExtended strand (participates in β ladder)trans-142.5155.7168.600000112A189 T267 L271 P328 M329A189-A279 HydrophobicContact CB-CB 4.16Å; A189-A279 CarbonylContact O-C 3.58Å; A189-A279 WeakPolarHBondContact O-CA 3.4Å; T267-A279 HydrophobicContact CG2-CB 4.14Å; L271-A279 HydrophobicContact CD1-CB 4.37Å; L271-A279 HydrophobicContact CD2-CB 4.31Å; L271-A279 HydrophobicContact CG-CB 4.38Å; A279-P328 CarbonylContact O-C 3.6Å; A279-M329 HydrophobicContact CB-CB 4.26Å; A279-M329 PolarHBondContact N-O 2.65Å; A279-M329 PolarHBondContact O-N 2.73Å
280V98.2Very high96.8Very high0 Ų09 Ų90%04%0.044CC..EExtended strand (participates in β ladder)trans-117115.9165.4-173.70000108.6I188 A189 L190 E191 F194 L219 P326I188-V280 HydrophobicContact CD1-CG2 3.75Å; I188-V280 HydrophobicContact CG1-CG2 4.49Å; A189-V280 PolarHBondContact O-N 2.92Å; L190-V280 HydrophobicContact CD2-CB 3.66Å; L190-V280 HydrophobicContact CD2-CG2 3.8Å; E191-V280 PolarHBondContact N-O 3.03Å; E191-V280 VanDerWaalsContact N-O 3.15Å; F194-V280 HydrophobicContact CE2-CB 4.45Å; F194-V280 HydrophobicContact CE2-CG1 4.09Å; F194-V280 WeakPolarHBondContact CE2-O 3.42Å; F194-V280 HydrophobicContact CZ-CG1 4.05Å; L219-V280 HydrophobicContact CD2-CG1 4.16Å; V280-P326 HydrophobicContact CG1-CB 4Å
281G96.7Very high96.8Very high0 Ų09 Ų90%04%0.044CC..EExtended strand (participates in β ladder)trans-90.2171.5172.900000111.8E191 S327E191-G281 VanDerWaalsContact OE1-CA 3.31Å; E191-G281 WeakPolarHBondContact OE1-CA 3.42Å; G281-S327 PolarHBondContact N-O 3.49Å; G281-S327 PolarHBondContact O-N 3.43Å
282F94.5Very high96.9Very high11 Ų119 Ų95%0.0484%0.044CC..EExtended strand (participates in β ladder)trans-103.4144.6170.4-170.1-116.9000109.4E191 I193 F194 I284 E287 A288 L312 L314 L318 P324E191-F282 PolarHBondContact OE1-N 3.46Å; E191-F282 WeakPolarHBondContact OE2-CB 3.47Å; I193-F282 HydrophobicContact CD1-CB 3.28Å; I193-F282 HydrophobicContact CD1-CD1 3.59Å; I193-F282 HydrophobicContact CD1-CD2 3.13Å; I193-F282 HydrophobicContact CD1-CE1 4.05Å; I193-F282 HydrophobicContact CD1-CE2 3.6Å; I193-F282 HydrophobicContact CD1-CG 3.06Å; I193-F282 HydrophobicContact CD1-CZ 4.01Å; I193-F282 HydrophobicContact CG1-CB 4.38Å; I193-F282 HydrophobicContact CG1-CD2 4.48Å; I193-F282 HydrophobicContact CG1-CG 4.47Å; F194-F282 HydrophobicContact CZ-CD2 4.45Å; F282-I284 HydrophobicContact CD1-CG2 4.49Å; F282-I284 HydrophobicContact CE1-CB 4.43Å; F282-I284 HydrophobicContact CE1-CG2 4.2Å; F282-E287 WeakPolarHBondContact O-CB 3.3Å; F282-A288 PolarHBondContact O-N 2.94Å; F282-L312 HydrophobicContact CE2-CD2 3.73Å; F282-L314 HydrophobicContact CE2-CD1 4.33Å; F282-L314 HydrophobicContact CZ-CD1 3.75Å; F282-L318 HydrophobicContact CE1-CD1 4.1Å; F282-L318 HydrophobicContact CZ-CD1 3.73Å; F282-P324 HydrophobicContact CD2-CB 3.98Å; F282-P324 HydrophobicContact CE1-CB 3.89Å; F282-P324 HydrophobicContact CE2-CB 3.11Å; F282-P324 HydrophobicContact CE2-CG 3.81Å; F282-P324 HydrophobicContact CZ-CB 3.07Å; F282-P324 HydrophobicContact CZ-CG 3.75Å
283D96.6Very high96.9Very high0 Ų07.3 Ų7.30%03%0.034CC..EExtended strand (participates in β ladder)trans-140.2113.1178.4-166.5-44.2000110.7G286 A288 R289 K301 P324 V325 S327 N557D283-G286 WeakPolarHBondContact OD1-CA 3.37Å; D283-G286 PolarHBondContact OD1-N 3.4Å; D283-G286 WeakPolarHBondContact OD2-CA 3.43Å; D283-A288 HydrophobicContact CB-CB 4.17Å; D283-R289 IonicContact OD1-CZ 3.06Å; D283-R289 IonicContact OD1-NE 3.76Å; D283-R289 IonicContact OD1-NH2 2.72Å; D283-R289 PolarHBondContact OD1-NH2 2.63Å; D283-R289 IonicContact OD2-CZ 2.74Å; D283-R289 IonicContact OD2-NE 3.42Å; D283-R289 PolarHBondContact OD2-NE 3.27Å; D283-R289 IonicContact OD2-NH2 3.6Å; D283-R289 PolarHBondContact OD2-NH2 3.16Å; D283-K301 HydrophobicContact CB-CB 4.39Å; D283-K301 HydrophobicContact CB-CD 4.11Å; D283-K301 HydrophobicContact CB-CG 3.9Å; D283-K301 WeakPolarHBondContact OD1-CD 3.49Å; D283-P324 WeakPolarHBondContact O-CA 3.43Å; D283-V325 PolarHBondContact N-O 3.45Å; D283-V325 PolarHBondContact O-N 3.38Å; D283-S327 WeakPolarHBondContact CB-OG 3.37Å; D283-N557 PolarHBondContact OD1-ND2 3.4Å
284I94.9Very high97Very high3 Ų35.5 Ų5.52%0.0153%0.025CC..SBendtrans-119.5-35.2172.3179.4158.2000111.8F282 E287 L318 L322 L430 N557F282-I284 HydrophobicContact CD1-CG2 4.49Å; F282-I284 HydrophobicContact CE1-CB 4.43Å; F282-I284 HydrophobicContact CE1-CG2 4.2Å; I284-E287 WeakPolarHBondContact CG2-OE1 3.43Å; I284-E287 VanDerWaalsContact CG2-OE2 3.27Å; I284-E287 WeakPolarHBondContact CG2-OE2 3.46Å; I284-E287 PolarHBondContact N-OE2 2.9Å; I284-L318 HydrophobicContact CD1-CB 4.22Å; I284-L318 HydrophobicContact CD1-CD1 3.71Å; I284-L318 HydrophobicContact CD1-CD2 3.72Å; I284-L318 HydrophobicContact CD1-CG 4.08Å; I284-L322 HydrophobicContact CD1-CD2 4.47Å; I284-L322 HydrophobicContact CG1-CD2 4.15Å; I284-L322 HydrophobicContact CG1-CG 4.15Å; I284-L430 HydrophobicContact CD1-CD1 4.13Å; I284-N557 VanDerWaalsContact C-ND2 3.33Å; I284-N557 WeakPolarHBondContact O-CB 3.27Å; I284-N557 PolarHBondContact O-ND2 3.19Å; I284-N557 VanDerWaalsContact O-ND2 3.11Å
285L96Very high97.1Very high1 Ų12 Ų21%0.0051%0.011CC..SBendtrans-128.720.1175.9-60.5176.8000111.3I240 L241 E287 L322 T426 L430 L550 T553 C554I240-L285 HydrophobicContact CG2-CD1 4.15Å; L241-L285 HydrophobicContact CD2-CD1 3.6Å; L285-E287 PolarHBondContact N-OE2 3.28Å; L285-L322 HydrophobicContact CD2-CD2 4.18Å; L285-T426 HydrophobicContact CD2-CG2 3.82Å; L285-L430 HydrophobicContact CD1-CD2 3.83Å; L285-L430 HydrophobicContact CD2-CD2 4.49Å; L285-L550 HydrophobicContact CB-CD2 4.22Å; L285-L550 HydrophobicContact CD1-CD1 4.41Å; L285-T553 WeakPolarHBondContact O-CB 3.4Å; L285-T553 PolarHBondContact O-OG1 3.29Å; L285-C554 HydrophobicContact CB-CB 4.44Å; L285-C554 HydrophobicContact CD2-CB 3.84Å
286G96.3Very high97.1Very high0 Ų02.9 Ų2.90%02%0.02CC..SBendtrans100.316.4-176.800000115.7D283 A288 R289 L290 N557D283-G286 WeakPolarHBondContact OD1-CA 3.37Å; D283-G286 PolarHBondContact OD1-N 3.4Å; D283-G286 WeakPolarHBondContact OD2-CA 3.43Å; G286-A288 PolarHBondContact O-N 3.27Å; G286-R289 VanDerWaalsContact CA-NH2 3.31Å; G286-R289 PolarHBondContact O-N 3.13Å; G286-L290 VanDerWaalsContact O-CB 3.32Å; G286-L290 WeakPolarHBondContact O-CB 3.48Å; G286-L290 VanDerWaalsContact O-CG 3.26Å; G286-L290 WeakPolarHBondContact O-CG 3.38Å; G286-L290 PolarHBondContact O-N 2.97Å; G286-N557 PolarHBondContact N-OD1 2.98Å
287E97.2Very high97.1Very high7 Ų74.5 Ų4.53%0.0333%0.027CC..Hα-helixtrans-55.7-55.6-173.3-75.278.8-174.700113.4K237 V264 F282 I284 L285 R289 L290 S291K237-E287 WeakPolarHBondContact CE-OE1 3.23Å; K237-E287 IonicContact NZ-OE1 3.91Å; K237-E287 PolarHBondContact NZ-OE1 3.14Å; V264-E287 HydrophobicContact CG1-CB 3.97Å; V264-E287 HydrophobicContact CG1-CG 3.87Å; F282-E287 WeakPolarHBondContact O-CB 3.3Å; I284-E287 WeakPolarHBondContact CG2-OE1 3.43Å; I284-E287 VanDerWaalsContact CG2-OE2 3.27Å; I284-E287 WeakPolarHBondContact CG2-OE2 3.46Å; I284-E287 PolarHBondContact N-OE2 2.9Å; L285-E287 PolarHBondContact N-OE2 3.28Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.44Å; E287-L290 PolarHBondContact O-N 3.39Å; E287-S291 WeakPolarHBondContact O-CB 3.42Å; E287-S291 PolarHBondContact O-N 3.22Å
288A98Very high97.2Very high0 Ų04.5 Ų4.50%03%0.027CC..Hα-helixtrans-58.9-43.9176.900000111.9F282 D283 G286 S291 A292 A299 S327 M329F282-A288 PolarHBondContact O-N 2.94Å; D283-A288 HydrophobicContact CB-CB 4.17Å; G286-A288 PolarHBondContact O-N 3.27Å; A288-S291 PolarHBondContact O-N 3.22Å; A288-A292 WeakPolarHBondContact O-CB 3.47Å; A288-A292 PolarHBondContact O-N 2.85Å; A288-A299 HydrophobicContact CB-CB 4.48Å; A288-S327 VanDerWaalsContact CB-CB 3.5Å; A288-M329 HydrophobicContact CB-CG 4.48Å; A288-M329 HydrophobicContact CB-SD 4.19Å; A288-M329 WeakPolarHBondContact O-CE 3.37Å
289R98.4Very high97.2Very high0 Ų04.5 Ų4.50%03%0.027CC..Hα-helixtrans-61.7-47.9177.1-73.2175.3-74.9160.4-0.3112.3D283 G286 E287 A292 A293 T531 T553 N557 T565 Q611D283-R289 IonicContact OD1-CZ 3.06Å; D283-R289 IonicContact OD1-NE 3.76Å; D283-R289 IonicContact OD1-NH2 2.72Å; D283-R289 PolarHBondContact OD1-NH2 2.63Å; D283-R289 IonicContact OD2-CZ 2.74Å; D283-R289 IonicContact OD2-NE 3.42Å; D283-R289 PolarHBondContact OD2-NE 3.27Å; D283-R289 IonicContact OD2-NH2 3.6Å; D283-R289 PolarHBondContact OD2-NH2 3.16Å; G286-R289 VanDerWaalsContact CA-NH2 3.31Å; G286-R289 PolarHBondContact O-N 3.13Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.44Å; R289-A292 PolarHBondContact O-N 3.13Å; R289-A293 VanDerWaalsContact O-CB 3.27Å; R289-A293 WeakPolarHBondContact O-CB 3.29Å; R289-A293 PolarHBondContact O-N 2.99Å; R289-T531 HydrophobicContact CB-CG2 4.22Å; R289-T553 PolarHBondContact NH1-O 2.73Å; R289-T553 PolarHBondContact NH2-O 3.39Å; R289-N557 VanDerWaalsContact NH2-CG 3.32Å; R289-N557 PolarHBondContact NH2-ND2 3.35Å; R289-N557 PolarHBondContact NH2-OD1 3.37Å; R289-T565 HydrophobicContact CB-CG2 3.91Å; R289-T565 HydrophobicContact CG-CG2 4.07Å; R289-T565 WeakPolarHBondContact O-CG2 3.44Å; R289-Q611 VanDerWaalsContact CD-OE1 3.32Å
290L98.2Very high97.2Very high1 Ų14.5 Ų4.51%0.0053%0.027CC..Hα-helixtrans-67.9-38.6179.3-69.3166.7000111.6L243 V264 G286 E287 A292 A293 F294 T531 A532 V549 L550 T553L243-L290 HydrophobicContact CD2-CD1 4.08Å; V264-L290 HydrophobicContact CB-CB 4.47Å; V264-L290 HydrophobicContact CG2-CB 3.64Å; G286-L290 VanDerWaalsContact O-CB 3.32Å; G286-L290 WeakPolarHBondContact O-CB 3.48Å; G286-L290 VanDerWaalsContact O-CG 3.26Å; G286-L290 WeakPolarHBondContact O-CG 3.38Å; G286-L290 PolarHBondContact O-N 2.97Å; E287-L290 PolarHBondContact O-N 3.39Å; L290-A292 VanDerWaalsContact C-N 3.33Å; L290-A292 PolarHBondContact O-N 2.94Å; L290-A293 PolarHBondContact O-N 3Å; L290-F294 HydrophobicContact CB-CE2 4.48Å; L290-F294 HydrophobicContact CD2-CE1 4.3Å; L290-F294 HydrophobicContact CD2-CZ 4.07Å; L290-F294 WeakPolarHBondContact O-CB 3.34Å; L290-F294 VanDerWaalsContact O-CG 3.26Å; L290-F294 WeakPolarHBondContact O-CG 3.43Å; L290-F294 PolarHBondContact O-N 2.88Å; L290-T531 HydrophobicContact CD2-CG2 4.15Å; L290-A532 HydrophobicContact CD2-CB 4.18Å; L290-V549 HydrophobicContact CD1-CG1 4.09Å; L290-V549 HydrophobicContact CD2-CG1 3.58Å; L290-L550 HydrophobicContact CD1-CD2 4Å; L290-T553 HydrophobicContact CD1-CG2 4.46Å; L290-T553 HydrophobicContact CD2-CG2 4.18Å; L290-T553 HydrophobicContact CG-CG2 4.04Å
291S97.8Very high97.2Very high0 Ų04.5 Ų4.50%03%0.027CC..Hα-helixtrans-59.3-45174.9-168.60000111.1S265 T267 G268 E287 A288 C295S265-S291 WeakPolarHBondContact OG-CB 3.35Å; S265-S291 PolarHBondContact OG-OG 3.24Å; T267-S291 PolarHBondContact OG1-OG 3.05Å; G268-S291 PolarHBondContact N-OG 3.24Å; E287-S291 WeakPolarHBondContact O-CB 3.42Å; E287-S291 PolarHBondContact O-N 3.22Å; A288-S291 PolarHBondContact O-N 3.22Å; S291-C295 WeakPolarHBondContact O-CB 3.42Å; S291-C295 PolarHBondContact O-N 3.46Å; S291-C295 PolarHBondContact O-SG 3.24Å
292A98Very high97.3Very high0 Ų04.5 Ų4.50%03%0.027CC..Hα-helixtrans-66.1-51174.200000112.4A288 R289 L290 F294 C295 G296 K297 A299 M329 T565A288-A292 WeakPolarHBondContact O-CB 3.47Å; A288-A292 PolarHBondContact O-N 2.85Å; R289-A292 PolarHBondContact O-N 3.13Å; L290-A292 VanDerWaalsContact C-N 3.33Å; L290-A292 PolarHBondContact O-N 2.94Å; A292-F294 PolarHBondContact O-N 3.33Å; A292-C295 CarbonylContact O-C 3.59Å; A292-C295 PolarHBondContact O-N 3.37Å; A292-G296 PolarHBondContact O-N 3.17Å; A292-K297 HydrophobicContact CB-CB 4.18Å; A292-K297 PolarHBondContact O-N 2.89Å; A292-A299 HydrophobicContact CB-CB 3.64Å; A292-M329 HydrophobicContact CB-CE 3.72Å; A292-T565 HydrophobicContact CB-CG2 4.02Å
293A97.7Very high97.4Very high2 Ų24.1 Ų4.12%0.0173%0.026CC..Hα-helixtrans-57.5-48.1-177.600000112.4R289 L290 C295 G296 T531 P607R289-A293 VanDerWaalsContact O-CB 3.27Å; R289-A293 WeakPolarHBondContact O-CB 3.29Å; R289-A293 PolarHBondContact O-N 2.99Å; L290-A293 PolarHBondContact O-N 3Å; A293-C295 VanDerWaalsContact C-N 3.28Å; A293-C295 PolarHBondContact O-N 3.02Å; A293-G296 PolarHBondContact O-N 3.12Å; A293-T531 HydrophobicContact CB-CG2 3.82Å; A293-P607 WeakPolarHBondContact O-CG 3.46Å
294F97.8Very high97.3Very high4 Ų45 Ų52%0.0183%0.031CC..Hα-helixtrans-66.3-30.6-179.7-68.8-11.5000112.8L243 H255 V264 L290 A292 A532 A536 V549 P607L243-F294 HydrophobicContact CD1-CE2 4.49Å; H255-F294 PolarHBondContact NE2-O 2.88Å; V264-F294 HydrophobicContact CG2-CD2 3.99Å; V264-F294 HydrophobicContact CG2-CE2 3.95Å; L290-F294 HydrophobicContact CB-CE2 4.48Å; L290-F294 HydrophobicContact CD2-CE1 4.3Å; L290-F294 HydrophobicContact CD2-CZ 4.07Å; L290-F294 WeakPolarHBondContact O-CB 3.34Å; L290-F294 VanDerWaalsContact O-CG 3.26Å; L290-F294 WeakPolarHBondContact O-CG 3.43Å; L290-F294 PolarHBondContact O-N 2.88Å; A292-F294 PolarHBondContact O-N 3.33Å; F294-A532 HydrophobicContact CE1-CB 3.93Å; F294-A532 HydrophobicContact CZ-CB 4.46Å; F294-A536 HydrophobicContact CB-CB 3.77Å; F294-A536 HydrophobicContact CD1-CB 4.02Å; F294-A536 HydrophobicContact CD2-CB 4.25Å; F294-A536 HydrophobicContact CG-CB 3.77Å; F294-V549 HydrophobicContact CZ-CG1 3.98Å; F294-P607 WeakPolarHBondContact O-CG 3.43Å
295C97.4Very high97.3Very high9 Ų910.1 Ų10.16%0.0615%0.051CC..Hα-helixtrans-95.42.2-179.6-670000113.8P269 V272 S291 A292 A293 K297P269-C295 VanDerWaalsContact CD-SG 3.5Å; V272-C295 HydrophobicContact CG2-CB 3.74Å; V272-C295 VanDerWaalsContact CG2-O 3.23Å; V272-C295 WeakPolarHBondContact CG2-O 3.26Å; S291-C295 WeakPolarHBondContact O-CB 3.42Å; S291-C295 PolarHBondContact O-N 3.46Å; S291-C295 PolarHBondContact O-SG 3.24Å; A292-C295 CarbonylContact O-C 3.59Å; A292-C295 PolarHBondContact O-N 3.37Å; A293-C295 VanDerWaalsContact C-N 3.28Å; A293-C295 PolarHBondContact O-N 3.02Å; C295-K297 HydrophobicContact CB-CG 4.45Å
296G96.3Very high97.2Very high19 Ų1910.4 Ų10.420%0.1965%0.052CC..THydrogen-bonded Turntrans72.239.617800000112.8A292 A293 P607A292-G296 PolarHBondContact O-N 3.17Å; A293-G296 PolarHBondContact O-N 3.12Å; G296-P607 VanDerWaalsContact CA-CB 3.49Å; G296-P607 VanDerWaalsContact N-CG 3.31Å
297K96.9Very high97.1Very high34 Ų3410.4 Ų10.415%0.1485%0.052CC..  trans-124.3-177.8-179.6-59.6-62.8170.3-177.50110.3L271 V272 A292 C295 H331L271-K297 HydrophobicContact CB-CD 4.13Å; L271-K297 HydrophobicContact CB-CG 4.05Å; L271-K297 HydrophobicContact CD1-CB 4.39Å; L271-K297 HydrophobicContact CD1-CG 4.37Å; V272-K297 HydrophobicContact CG2-CG 4.29Å; A292-K297 HydrophobicContact CB-CB 4.18Å; A292-K297 PolarHBondContact O-N 2.89Å; C295-K297 HydrophobicContact CB-CG 4.45Å; K297-H331 PolarHBondContact NZ-ND1 2.72Å
298T97.7Very high96.9Very high3 Ų310.3 Ų10.32%0.0185%0.052CC..EExtended strand (participates in β ladder)trans-115.1150.2176.5-174.90000111.6M329 G330 R332 I333 V336 T565T298-M329 VanDerWaalsContact O-CA 3.29Å; T298-M329 WeakPolarHBondContact O-CA 3.35Å; T298-G330 WeakPolarHBondContact CG2-O 3.42Å; T298-G330 PolarHBondContact N-O 2.71Å; T298-G330 PolarHBondContact O-N 2.98Å; T298-G330 VanDerWaalsContact O-N 3.16Å; T298-R332 VanDerWaalsContact CG2-O 3.26Å; T298-R332 WeakPolarHBondContact CG2-O 3.41Å; T298-I333 VanDerWaalsContact OG1-CD1 3.32Å; T298-I333 WeakPolarHBondContact OG1-CD1 3.37Å; T298-V336 HydrophobicContact CG2-CG2 3.88Å; T298-T565 VanDerWaalsContact CA-O 3.24Å; T298-T565 WeakPolarHBondContact CA-O 3.49Å; T298-T565 WeakPolarHBondContact CB-O 3.02Å; T298-T565 PolarHBondContact OG1-O 3.43Å
299A98.4Very high96.7Very high0 Ų012 Ų120%06%0.061CC..EExtended strand (participates in β ladder)trans-146.1151.8170.500000109.5A288 A292 P328 M329 G564 T565A288-A299 HydrophobicContact CB-CB 4.48Å; A292-A299 HydrophobicContact CB-CB 3.64Å; A299-P328 CarbonylContact C-O 3.5Å; A299-P328 VanDerWaalsContact CA-O 3.27Å; A299-P328 WeakPolarHBondContact CA-O 3.38Å; A299-M329 HydrophobicContact CB-CB 4.46Å; A299-M329 HydrophobicContact CB-CG 3.73Å; A299-G564 CarbonylContact O-C 3.55Å; A299-G564 VanDerWaalsContact O-CA 3.25Å; A299-G564 WeakPolarHBondContact O-CA 3.24Å; A299-T565 HydrophobicContact CB-CG2 4.1Å; A299-T565 PolarHBondContact N-O 3.21Å; A299-T565 PolarHBondContact O-N 3.33Å
300F98.6Very high96.4Very high0 Ų016 Ų160%08%0.079CC..EExtended strand (participates in β ladder)trans-128129170.8-167.2-95.5000109.9P302 S327 P328 V336 L340 P562 D619 A622 L623 L626F300-P302 HydrophobicContact CD1-CG 4.05Å; F300-P302 HydrophobicContact CE1-CG 4.38Å; F300-P302 VanDerWaalsContact O-CD 3.3Å; F300-P302 WeakPolarHBondContact O-CD 3.35Å; F300-S327 CarbonylContact O-C 3.53Å; F300-S327 VanDerWaalsContact O-CA 3.25Å; F300-S327 WeakPolarHBondContact O-CA 3.47Å; F300-S327 VanDerWaalsContact O-CB 3.29Å; F300-S327 WeakPolarHBondContact O-CB 3.46Å; F300-P328 PolarHBondContact N-O 3.44Å; F300-P328 WeakPolarHBondContact O-CD 3.45Å; F300-V336 HydrophobicContact CB-CG1 3.46Å; F300-V336 VanDerWaalsContact CB-CG1 3.46Å; F300-L340 HydrophobicContact CD1-CD1 3.8Å; F300-L340 HydrophobicContact CE1-CD1 4.37Å; F300-L340 HydrophobicContact CG-CD1 4.35Å; F300-P562 HydrophobicContact CE1-CB 4.18Å; F300-P562 HydrophobicContact CZ-CB 3.86Å; F300-D619 HydrophobicContact CE1-CB 3.85Å; F300-D619 HydrophobicContact CZ-CB 3.85Å; F300-D619 WeakPolarHBondContact CZ-O 3.38Å; F300-A622 HydrophobicContact CE2-CB 3.85Å; F300-A622 HydrophobicContact CZ-CB 4.17Å; F300-L623 HydrophobicContact CB-CD2 4.19Å; F300-L623 HydrophobicContact CD1-CD2 4.15Å; F300-L623 HydrophobicContact CD1-CG 4.47Å; F300-L623 HydrophobicContact CD2-CD2 3.37Å; F300-L623 HydrophobicContact CD2-CG 3.92Å; F300-L623 HydrophobicContact CE1-CD1 4.32Å; F300-L623 HydrophobicContact CE1-CD2 4.37Å; F300-L623 HydrophobicContact CE1-CG 4.21Å; F300-L623 HydrophobicContact CE2-CD2 3.67Å; F300-L623 HydrophobicContact CE2-CG 3.65Å; F300-L623 HydrophobicContact CG-CD2 3.65Å; F300-L623 HydrophobicContact CG-CG 4.34Å; F300-L623 HydrophobicContact CZ-CD1 4.3Å; F300-L623 HydrophobicContact CZ-CD2 4.16Å; F300-L623 HydrophobicContact CZ-CG 3.79Å; F300-L626 HydrophobicContact CD2-CD1 3.75Å; F300-L626 HydrophobicContact CE2-CD1 4.02Å
301K98.4Very high96.1Very high0 Ų019.5 Ų19.50%010%0.097CC..EExtended strand (participates in β ladder)trans-101.4103.2171.2-175.7-15566.155.40108.7D283 V325 S327 N557 C561 P562 A563D283-K301 HydrophobicContact CB-CB 4.39Å; D283-K301 HydrophobicContact CB-CD 4.11Å; D283-K301 HydrophobicContact CB-CG 3.9Å; D283-K301 WeakPolarHBondContact OD1-CD 3.49Å; K301-V325 HydrophobicContact CD-CB 4.39Å; K301-V325 HydrophobicContact CD-CG2 4.42Å; K301-V325 HydrophobicContact CG-CB 3.8Å; K301-V325 HydrophobicContact CG-CG1 3.96Å; K301-V325 HydrophobicContact CG-CG2 4.26Å; K301-S327 WeakPolarHBondContact CA-OG 3.38Å; K301-S327 WeakPolarHBondContact CG-OG 3.25Å; K301-N557 WeakPolarHBondContact CD-ND2 3.41Å; K301-C561 VanDerWaalsContact CE-O 3.31Å; K301-C561 WeakPolarHBondContact CE-O 3.4Å; K301-C561 PolarHBondContact NZ-O 3.34Å; K301-P562 VanDerWaalsContact O-CA 3.27Å; K301-P562 WeakPolarHBondContact O-CA 3.41Å; K301-A563 WeakPolarHBondContact CB-O 3.27Å; K301-A563 PolarHBondContact N-O 3.01Å; K301-A563 PolarHBondContact O-N 3.12Å
302P97.9Very high95.8Very high0 Ų020.8 Ų20.80%010%0.104CC..PPolyproline II helixtrans-56.6169176.1-28.136.9000114.7F300 R306 M307 V325 L340 W344 D619F300-P302 HydrophobicContact CD1-CG 4.05Å; F300-P302 HydrophobicContact CE1-CG 4.38Å; F300-P302 VanDerWaalsContact O-CD 3.3Å; F300-P302 WeakPolarHBondContact O-CD 3.35Å; P302-R306 HydrophobicContact CB-CB 4.2Å; P302-M307 HydrophobicContact CB-CG 4.3Å; P302-M307 HydrophobicContact CG-CG 3.9Å; P302-V325 HydrophobicContact CB-CG1 4.31Å; P302-V325 HydrophobicContact CG-CG1 4.48Å; P302-L340 HydrophobicContact CG-CD2 3.92Å; P302-W344 HydrophobicContact CB-CZ2 4Å; P302-W344 HydrophobicContact CG-CZ2 3.99Å; P302-D619 WeakPolarHBondContact CA-OD1 3.4Å; P302-D619 WeakPolarHBondContact CB-OD1 3.32Å
303T97.1Very high95.4Very high4 Ų426.3 Ų26.33%0.02513%0.128CC..PPolyproline II helixtrans-53.1131.2162.2-58.50000108.4Y305 R306 P562 P616 W617 D619T303-Y305 PolarHBondContact O-N 3.2Å; T303-R306 WeakPolarHBondContact O-CB 3.36Å; T303-R306 PolarHBondContact O-N 3.36Å; T303-P562 WeakPolarHBondContact OG1-CD 3.36Å; T303-P616 HydrophobicContact CG2-CB 4.16Å; T303-W617 HydrophobicContact CG2-CD2 3.81Å; T303-W617 HydrophobicContact CG2-CE3 3.95Å; T303-W617 HydrophobicContact CG2-CG 4.33Å; T303-W617 HydrophobicContact CG2-CH2 4.28Å; T303-W617 HydrophobicContact CG2-CZ2 4.13Å; T303-W617 HydrophobicContact CG2-CZ3 4.19Å; T303-W617 PolarHBondContact OG1-N 2.86Å; T303-D619 PolarHBondContact N-OD1 3.48Å; T303-D619 PolarHBondContact OG1-OD1 3.09Å; T303-D619 PolarHBondContact OG1-OD2 3.27Å
304P95.2Very high95Very high17 Ų1727.7 Ų27.711%0.1114%0.135CC..THydrogen-bonded Turntrans-52144.1174.9-25.834.6000111.2R306 V325 G560P304-R306 PolarHBondContact O-N 2.86Å; P304-V325 HydrophobicContact CB-CG2 4.15Å; P304-V325 HydrophobicContact CG-CG2 4.02Å; P304-G560 VanDerWaalsContact CD-O 3.27Å; P304-G560 WeakPolarHBondContact CD-O 3.39Å
305Y93.2Very high94.6Very high111 Ų11128.8 Ų28.844%0.43514%0.143SC..THydrogen-bonded Turntrans67.110.6-175.1-43.7-77.3000115.4T303 E320 L355T303-Y305 PolarHBondContact O-N 3.2Å; Y305-E320 PolarHBondContact OH-O 3.24Å; Y305-L355 WeakPolarHBondContact O-CD2 3.41Å
306R94.1Very high94.1Very high7 Ų728.4 Ų28.43%0.02614%0.14CC..SBendtrans-86.2-19.4163.1-158.2170178.7164.31.9112.6P302 T303 P304 W344 M348 M358 W617 D619 E620P302-R306 HydrophobicContact CB-CB 4.2Å; T303-R306 WeakPolarHBondContact O-CB 3.36Å; T303-R306 PolarHBondContact O-N 3.36Å; P304-R306 PolarHBondContact O-N 2.86Å; R306-W344 HydrophobicContact CG-CD2 4.34Å; R306-W344 HydrophobicContact CG-CZ2 3.8Å; R306-W344 VanDerWaalsContact CZ-CE3 3.5Å; R306-W344 VanDerWaalsContact NE-CH2 3.27Å; R306-W344 VanDerWaalsContact NE-CZ2 3.28Å; R306-W344 PolarHBondContact O-NE1 3.35Å; R306-M348 WeakPolarHBondContact O-CE 3.29Å; R306-M358 HydrophobicContact CG-CE 4.22Å; R306-M358 VanDerWaalsContact NE-CE 3.34Å; R306-W617 HydrophobicContact CB-CZ3 4.41Å; R306-D619 IonicContact CZ-OD2 3.74Å; R306-D619 IonicContact NH1-OD1 2.82Å; R306-D619 IonicContact NH1-OD2 2.8Å; R306-D619 PolarHBondContact NH1-OD2 3.38Å; R306-E620 IonicContact CZ-OE1 3.03Å; R306-E620 IonicContact CZ-OE2 3.58Å; R306-E620 IonicContact NH1-OE1 3.53Å; R306-E620 IonicContact NH1-OE2 3.6Å; R306-E620 PolarHBondContact NH1-OE2 3.09Å; R306-E620 VanDerWaalsContact NH2-CD 3.34Å; R306-E620 IonicContact NH2-OE1 2.72Å; R306-E620 PolarHBondContact NH2-OE1 3.31Å; R306-E620 IonicContact NH2-OE2 2.71Å; R306-E620 PolarHBondContact NH2-OE2 2.78Å
307M94.1Very high93.8Very high1 Ų133.1 Ų33.11%0.00516%0.157CC..SBendtrans-119.3142.8170.9-63.1-64.4-71.100108.4L219 P302 P326 L340 L343 W344 M348L219-M307 HydrophobicContact CD1-CE 3.44Å; L219-M307 VanDerWaalsContact CD1-CE 3.44Å; P302-M307 HydrophobicContact CB-CG 4.3Å; P302-M307 HydrophobicContact CG-CG 3.9Å; M307-P326 HydrophobicContact CB-CB 4.34Å; M307-P326 HydrophobicContact CB-CG 4.11Å; M307-P326 HydrophobicContact CE-CB 4.48Å; M307-L340 HydrophobicContact SD-CD2 4.46Å; M307-L343 HydrophobicContact CE-CB 4.34Å; M307-L343 HydrophobicContact CE-CD1 3.43Å; M307-L343 VanDerWaalsContact CE-CD1 3.43Å; M307-L343 HydrophobicContact CE-CG 4.48Å; M307-L343 HydrophobicContact SD-CB 4.49Å; M307-L343 HydrophobicContact SD-CD1 4.49Å; M307-W344 PolarHBondContact SD-NE1 2.98Å; M307-W344 VanDerWaalsContact SD-NE1 3.36Å; M307-M348 HydrophobicContact SD-CE 4.33Å; M307-M348 HydrophobicContact SD-SD 4.39Å
308S94.2Very high93.3Very high4 Ų432.8 Ų32.83%0.02816%0.156CC..  trans-71.6136.3179.9-1720000112K310 D352S308-K310 WeakPolarHBondContact OG-CB 3.45Å; S308-K310 PolarHBondContact OG-N 3.49Å; S308-D352 WeakPolarHBondContact CB-OD2 3.49Å; S308-D352 PolarHBondContact OG-OD2 3.35Å
309N92.7Very high92.9Very high37 Ų3732.6 Ų32.620%0.19816%0.155CC..  trans-107.77164.8-72.6-42.5000112.2L312 S323 P324 P326N309-L312 WeakPolarHBondContact O-CB 3.32Å; N309-L312 PolarHBondContact O-N 3.18Å; N309-S323 PolarHBondContact ND2-OG 3.22Å; N309-P324 PolarHBondContact ND2-O 3.34Å; N309-P324 PolarHBondContact OD1-O 3.11Å; N309-P326 WeakPolarHBondContact OD1-CD 3.23Å
310K92.3Very high92.4Very high84 Ų8439.6 Ų39.637%0.36519%0.188SC..THydrogen-bonded Turntrans-69.8142.1-177.2-177.2169.4163.2-160.20109.7I218 S308 L312 Y351I218-K310 HydrophobicContact CD1-CB 3.65Å; I218-K310 HydrophobicContact CD1-CD 3.44Å; I218-K310 VanDerWaalsContact CD1-CD 3.44Å; I218-K310 HydrophobicContact CD1-CG 3.57Å; I218-K310 HydrophobicContact CG1-CB 4.21Å; I218-K310 HydrophobicContact CG1-CG 4.31Å; S308-K310 WeakPolarHBondContact OG-CB 3.45Å; S308-K310 PolarHBondContact OG-N 3.49Å; K310-L312 PolarHBondContact O-N 3.24Å; K310-Y351 PolarHBondContact NZ-O 2.92Å
311D93.3Very high91.9Very high73 Ų7342 Ų4239%0.3920%0.201SC..THydrogen-bonded Turntrans62.913.1-172.1-52.1-42.8000114.9C217 I218 K313C217-D311 HydrophobicContact CB-CB 4.3Å; I218-D311 WeakPolarHBondContact CG1-OD2 3.25Å; D311-K313 VanDerWaalsContact C-N 3.29Å; D311-K313 PolarHBondContact O-N 3.47Å
312L91.1Very high91.7Very high27 Ų2742 Ų4214%0.14120%0.201CC..  trans-75.881.2168.6-163.269.4000109.9F194 F282 N309 K310 L314 P324F194-L312 HydrophobicContact CD1-CD1 3.81Å; F194-L312 HydrophobicContact CE1-CD1 4.25Å; F282-L312 HydrophobicContact CE2-CD2 3.73Å; N309-L312 WeakPolarHBondContact O-CB 3.32Å; N309-L312 PolarHBondContact O-N 3.18Å; K310-L312 PolarHBondContact O-N 3.24Å; L312-L314 HydrophobicContact CD1-CD2 4.25Å; L312-L314 HydrophobicContact CD2-CD1 4.06Å; L312-L314 HydrophobicContact CD2-CD2 4.16Å; L312-L314 HydrophobicContact CD2-CG 4.13Å; L312-L314 HydrophobicContact CG-CD1 4.35Å; L312-L314 HydrophobicContact CG-CD2 3.82Å; L312-L314 HydrophobicContact CG-CG 3.88Å; L312-L314 PolarHBondContact O-N 3.4Å; L312-P324 HydrophobicContact CD2-CG 4.4Å
313K88.1Confident91.3Very high117 Ų11742.7 Ų42.751%0.50921%0.206SC..  trans-75.666.4-178.8-66.2-179.5-179.7174.40112H201 E214 D311H201-K313 PolarHBondContact CD2-O 3.48Å; H201-K313 VanDerWaalsContact CD2-O 3.23Å; H201-K313 PolarHBondContact NE2-O 3.48Å; E214-K313 IonicContact OE2-NZ 3.71Å; E214-K313 PolarHBondContact OE2-NZ 3.23Å; D311-K313 VanDerWaalsContact C-N 3.29Å; D311-K313 PolarHBondContact O-N 3.47Å
314L90.4Very high91.1Very high31 Ų3143.1 Ų43.116%0.16221%0.208CC..  trans-66.4145.5-179.1-59.8176.7000112.2I193 F282 L312 I316 L318I193-L314 HydrophobicContact CB-CD2 4.24Å; F282-L314 HydrophobicContact CE2-CD1 4.33Å; F282-L314 HydrophobicContact CZ-CD1 3.75Å; L312-L314 HydrophobicContact CD1-CD2 4.25Å; L312-L314 HydrophobicContact CD2-CD1 4.06Å; L312-L314 HydrophobicContact CD2-CD2 4.16Å; L312-L314 HydrophobicContact CD2-CG 4.13Å; L312-L314 HydrophobicContact CG-CD1 4.35Å; L312-L314 HydrophobicContact CG-CD2 3.82Å; L312-L314 HydrophobicContact CG-CG 3.88Å; L312-L314 PolarHBondContact O-N 3.4Å; L314-I316 PolarHBondContact O-N 3.19Å; L314-I316 VanDerWaalsContact O-N 3.14Å; L314-L318 HydrophobicContact CD1-CD1 3.41Å; L314-L318 VanDerWaalsContact CD1-CD1 3.41Å; L314-L318 HydrophobicContact CD1-CG 4.09Å
315P88.3Confident91.1Very high27 Ų2742.4 Ų42.418%0.17520%0.204CC..SBendtrans-62.3-18.5174.6-2636000115M203 Y205 L441M203-P315 HydrophobicContact CB-CG 3.9Å; Y205-P315 HydrophobicContact CD2-CB 4.45Å; P315-L441 HydrophobicContact CB-CD1 4.21Å; P315-L441 HydrophobicContact CB-CD2 3.78Å
316I88.6Confident91.3Very high0 Ų037.1 Ų37.10%018%0.183CC..SBendtrans-130.1125.7-179.8-63.8173.9000107.6Y205 L314 E437 L441Y205-I316 HydrophobicContact CE2-CD1 3.89Å; Y205-I316 WeakPolarHBondContact OH-CD1 3.4Å; L314-I316 PolarHBondContact O-N 3.19Å; L314-I316 VanDerWaalsContact O-N 3.14Å; I316-E437 HydrophobicContact CG2-CB 3.92Å; I316-L441 HydrophobicContact CD1-CD2 4.22Å; I316-L441 HydrophobicContact CG1-CD2 3.85Å
317E88.2Confident91.5Very high118 Ų11836.8 Ų36.855%0.55118%0.182SC*.  trans-67.2134.9173.8-62.9179.7-176.300110.8E437E317-E437 HydrophobicContact CB-CG 4.09Å; E317-E437 HydrophobicContact CG-CG 4.4Å
318L88.3Confident91.7Very high27 Ų2736.8 Ų36.814%0.14118%0.182CC..  trans-110.1147.2-179-62.7175.6000110.5I240 F282 I284 L314 E320 P324 L430I240-L318 HydrophobicContact CD1-CD2 4.31Å; F282-L318 HydrophobicContact CE1-CD1 4.1Å; F282-L318 HydrophobicContact CZ-CD1 3.73Å; I284-L318 HydrophobicContact CD1-CB 4.22Å; I284-L318 HydrophobicContact CD1-CD1 3.71Å; I284-L318 HydrophobicContact CD1-CD2 3.72Å; I284-L318 HydrophobicContact CD1-CG 4.08Å; L314-L318 HydrophobicContact CD1-CD1 3.41Å; L314-L318 VanDerWaalsContact CD1-CD1 3.41Å; L314-L318 HydrophobicContact CD1-CG 4.09Å; L318-E320 PolarHBondContact O-N 2.99Å; L318-P324 HydrophobicContact CD1-CB 4.2Å; L318-P324 HydrophobicContact CD1-CG 3.99Å; L318-L430 HydrophobicContact CD2-CD1 4.42Å
319P88.5Confident91.9Very high0 Ų036.6 Ų36.60%018%0.18CC..  trans-62131.5178.924.1-36000113.2N321 L322 S323 L429 Y433P319-N321 VanDerWaalsContact C-N 3.27Å; P319-N321 PolarHBondContact O-N 3.35Å; P319-L322 HydrophobicContact CB-CB 4.43Å; P319-L322 HydrophobicContact CG-CB 3.82Å; P319-L322 HydrophobicContact CG-CD2 4.37Å; P319-L322 CarbonylContact O-C 3.57Å; P319-L322 PolarHBondContact O-N 3.22Å; P319-L322 VanDerWaalsContact O-O 3.11Å; P319-S323 PolarHBondContact O-N 2.88Å; P319-S323 VanDerWaalsContact O-N 3.12Å; P319-L429 HydrophobicContact CB-CD1 3.99Å; P319-L429 HydrophobicContact CB-CD2 4.04Å; P319-L429 HydrophobicContact CB-CG 3.82Å; P319-L429 HydrophobicContact CG-CD2 4.33Å; P319-L429 HydrophobicContact CG-CG 4.09Å; P319-Y433 HydrophobicContact CB-CD2 3.65Å; P319-Y433 HydrophobicContact CB-CE2 3.57Å; P319-Y433 HydrophobicContact CB-CG 4.23Å; P319-Y433 HydrophobicContact CG-CD2 4.27Å
320E87.2Confident92.1Very high146 Ų14634.8 Ų34.868%0.68217%0.171SC*.G310 helixtrans-59-35.1173.6-65.7176.6-179.900113.4Y305 L318 L322 S323Y305-E320 PolarHBondContact OH-O 3.24Å; L318-E320 PolarHBondContact O-N 2.99Å; E320-L322 PolarHBondContact O-N 2.66Å; E320-S323 PolarHBondContact O-N 3.19Å
321N89.5Confident92.2Very high50 Ų5034 Ų3427%0.26717%0.168SC..G310 helixtrans-73.1-10.2178.4-59.2107.4000113.9P319 L429P319-N321 VanDerWaalsContact C-N 3.27Å; P319-N321 PolarHBondContact O-N 3.35Å; N321-L429 HydrophobicContact CB-CD2 3.91Å
322L92.5Very high92.3Very high1 Ų136.1 Ų36.11%0.00517%0.171CC..G310 helixtrans-135.554.5171.8-178.878.8000106.6I284 L285 P319 E320 T426 L429 L430 N557I284-L322 HydrophobicContact CD1-CD2 4.47Å; I284-L322 HydrophobicContact CG1-CD2 4.15Å; I284-L322 HydrophobicContact CG1-CG 4.15Å; L285-L322 HydrophobicContact CD2-CD2 4.18Å; P319-L322 HydrophobicContact CB-CB 4.43Å; P319-L322 HydrophobicContact CG-CB 3.82Å; P319-L322 HydrophobicContact CG-CD2 4.37Å; P319-L322 CarbonylContact O-C 3.57Å; P319-L322 PolarHBondContact O-N 3.22Å; P319-L322 VanDerWaalsContact O-O 3.11Å; E320-L322 PolarHBondContact O-N 2.66Å; L322-T426 HydrophobicContact CD1-CG2 4.22Å; L322-T426 HydrophobicContact CD2-CG2 3.95Å; L322-L429 HydrophobicContact CB-CD2 3.78Å; L322-L430 HydrophobicContact CD2-CB 4.44Å; L322-N557 HydrophobicContact CD1-CB 3.46Å; L322-N557 VanDerWaalsContact CD1-CB 3.46Å
323S89.7Confident92.5Very high15 Ų1534.8 Ų34.811%0.10516%0.164CC..  trans-59.7136.9-177.6178.80000109.3N309 P319 E320N309-S323 PolarHBondContact ND2-OG 3.22Å; P319-S323 PolarHBondContact O-N 2.88Å; P319-S323 VanDerWaalsContact O-N 3.12Å; E320-S323 PolarHBondContact O-N 3.19Å
324P92.6Very high92.9Very high12 Ų1231.9 Ų31.98%0.07815%0.152CC..  trans-60.9155.2167.928.7-35.9000111.1F282 D283 N309 L312 L318F282-P324 HydrophobicContact CD2-CB 3.98Å; F282-P324 HydrophobicContact CE1-CB 3.89Å; F282-P324 HydrophobicContact CE2-CB 3.11Å; F282-P324 HydrophobicContact CE2-CG 3.81Å; F282-P324 HydrophobicContact CZ-CB 3.07Å; F282-P324 HydrophobicContact CZ-CG 3.75Å; D283-P324 WeakPolarHBondContact O-CA 3.43Å; N309-P324 PolarHBondContact ND2-O 3.34Å; N309-P324 PolarHBondContact OD1-O 3.11Å; L312-P324 HydrophobicContact CD2-CG 4.4Å; L318-P324 HydrophobicContact CD1-CB 4.2Å; L318-P324 HydrophobicContact CD1-CG 3.99Å
325V96.3Very high93.1Very high2 Ų231 Ų311%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-133.4121.2178.8-1750000109.9D283 K301 P302 P304 S327D283-V325 PolarHBondContact N-O 3.45Å; D283-V325 PolarHBondContact O-N 3.38Å; K301-V325 HydrophobicContact CD-CB 4.39Å; K301-V325 HydrophobicContact CD-CG2 4.42Å; K301-V325 HydrophobicContact CG-CB 3.8Å; K301-V325 HydrophobicContact CG-CG1 3.96Å; K301-V325 HydrophobicContact CG-CG2 4.26Å; P302-V325 HydrophobicContact CB-CG1 4.31Å; P302-V325 HydrophobicContact CG-CG1 4.48Å; P304-V325 HydrophobicContact CB-CG2 4.15Å; P304-V325 HydrophobicContact CG-CG2 4.02Å; V325-S327 PolarHBondContact O-N 3.17Å; V325-S327 PolarHBondContact O-OG 2.92Å
326P97Very high93.6Very high1 Ų129.7 Ų29.71%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-59.2121.8166.5-19.230.7000109.4F194 L219 V280 M307 N309F194-P326 HydrophobicContact CE1-CB 4.03Å; F194-P326 HydrophobicContact CE1-CG 4.02Å; F194-P326 HydrophobicContact CZ-CB 3.99Å; F194-P326 HydrophobicContact CZ-CG 4.43Å; L219-P326 HydrophobicContact CD1-CB 4.42Å; L219-P326 HydrophobicContact CD2-CB 3.66Å; L219-P326 HydrophobicContact CD2-CG 4.04Å; V280-P326 HydrophobicContact CG1-CB 4Å; M307-P326 HydrophobicContact CB-CB 4.34Å; M307-P326 HydrophobicContact CB-CG 4.11Å; M307-P326 HydrophobicContact CE-CB 4.48Å; N309-P326 WeakPolarHBondContact OD1-CD 3.23Å
327S98.2Very high94Very high0 Ų029.9 Ų29.90%014%0.14CC..EExtended strand (participates in β ladder)trans-125.2105.7-166.9-63.80000109.4G281 D283 A288 F300 K301 V325G281-S327 PolarHBondContact N-O 3.49Å; G281-S327 PolarHBondContact O-N 3.43Å; D283-S327 WeakPolarHBondContact CB-OG 3.37Å; A288-S327 VanDerWaalsContact CB-CB 3.5Å; F300-S327 CarbonylContact O-C 3.53Å; F300-S327 VanDerWaalsContact O-CA 3.25Å; F300-S327 WeakPolarHBondContact O-CA 3.47Å; F300-S327 VanDerWaalsContact O-CB 3.29Å; F300-S327 WeakPolarHBondContact O-CB 3.46Å; K301-S327 WeakPolarHBondContact CA-OG 3.38Å; K301-S327 WeakPolarHBondContact CG-OG 3.25Å; V325-S327 PolarHBondContact O-N 3.17Å; V325-S327 PolarHBondContact O-OG 2.92Å
328P98.2Very high94.3Very high0 Ų025.4 Ų25.40%012%0.12CC..EExtended strand (participates in β ladder)trans-63.2148.7179.5-22.633.8000112.6A279 A299 F300 V336 I339 L340A279-P328 CarbonylContact O-C 3.6Å; A299-P328 CarbonylContact C-O 3.5Å; A299-P328 VanDerWaalsContact CA-O 3.27Å; A299-P328 WeakPolarHBondContact CA-O 3.38Å; F300-P328 PolarHBondContact N-O 3.44Å; F300-P328 WeakPolarHBondContact O-CD 3.45Å; P328-V336 HydrophobicContact CB-CG1 4.13Å; P328-I339 HydrophobicContact CB-CB 4.08Å; P328-I339 HydrophobicContact CB-CD1 3.81Å; P328-I339 HydrophobicContact CB-CG2 3.82Å; P328-I339 HydrophobicContact CG-CB 4.37Å; P328-I339 HydrophobicContact CG-CG2 3.71Å; P328-L340 HydrophobicContact CG-CD2 3.7Å; P328-L340 HydrophobicContact CG-CG 4.27Å
329M98.3Very high94.7Very high0 Ų024.1 Ų24.10%011%0.114CC..EExtended strand (participates in β ladder)trans-137.6148-177.1-54.2176.967.600109.7T267 L271 A279 A288 A292 T298 A299T267-M329 VanDerWaalsContact CB-SD 3.58Å; T267-M329 HydrophobicContact CG2-SD 4.15Å; T267-M329 VanDerWaalsContact OG1-CE 3.29Å; T267-M329 WeakPolarHBondContact OG1-CE 3.39Å; T267-M329 PolarHBondContact OG1-SD 2.81Å; L271-M329 HydrophobicContact CD1-CB 3.82Å; L271-M329 HydrophobicContact CD1-CE 4.37Å; A279-M329 HydrophobicContact CB-CB 4.26Å; A279-M329 PolarHBondContact N-O 2.65Å; A279-M329 PolarHBondContact O-N 2.73Å; A288-M329 HydrophobicContact CB-CG 4.48Å; A288-M329 HydrophobicContact CB-SD 4.19Å; A288-M329 WeakPolarHBondContact O-CE 3.37Å; A292-M329 HydrophobicContact CB-CE 3.72Å; T298-M329 VanDerWaalsContact O-CA 3.29Å; T298-M329 WeakPolarHBondContact O-CA 3.35Å; A299-M329 HydrophobicContact CB-CB 4.46Å; A299-M329 HydrophobicContact CB-CG 3.73Å
330G96.7Very high95.1Very high0 Ų024.1 Ų24.10%011%0.114CC..EExtended strand (participates in β ladder)trans-158.2-175.4-177.700000113.1T298T298-G330 WeakPolarHBondContact CG2-O 3.42Å; T298-G330 PolarHBondContact N-O 2.71Å; T298-G330 PolarHBondContact O-N 2.98Å; T298-G330 VanDerWaalsContact O-N 3.16Å
331H95.8Very high95.5Very high67 Ų6720.1 Ų20.131%0.319%0.094SC..SBendtrans-78.3-36.4174.3-69.3-102000111.2L271 P277 K297 D335L271-H331 PolarHBondContact O-CE1 2.92Å; P277-H331 PolarHBondContact O-CD2 2.74Å; P277-H331 VanDerWaalsContact O-CD2 3.31Å; K297-H331 PolarHBondContact NZ-ND1 2.72Å; H331-D335 WeakPolarHBondContact CA-OD2 3.38Å; H331-D335 WeakPolarHBondContact CB-OD2 3.24Å; H331-D335 PolarHBondContact N-OD2 3.13Å
332R94.9Very high95.7Very high117 Ų11718.1 Ų18.144%0.4428%0.084SC..SBendtrans-131.8159.4177.7-48.5174.455.9122-2.6110.7T298 E334 D335 Q630T298-R332 VanDerWaalsContact CG2-O 3.26Å; T298-R332 WeakPolarHBondContact CG2-O 3.41Å; R332-E334 WeakPolarHBondContact CB-OE2 3.45Å; R332-E334 IonicContact CZ-OE1 2.84Å; R332-E334 IonicContact CZ-OE2 3.26Å; R332-E334 IonicContact NE-OE1 2.91Å; R332-E334 IonicContact NE-OE2 3.9Å; R332-E334 PolarHBondContact NE-OE2 2.92Å; R332-E334 IonicContact NH2-OE1 3.24Å; R332-E334 PolarHBondContact NH2-OE1 3.26Å; R332-E334 IonicContact NH2-OE2 3.99Å; R332-E334 PolarHBondContact O-N 3.28Å; R332-D335 PolarHBondContact N-OD2 2.6Å; R332-D335 VanDerWaalsContact O-CB 3.31Å; R332-D335 WeakPolarHBondContact O-CB 3.46Å; R332-D335 PolarHBondContact O-N 3.32Å; R332-D335 VanDerWaalsContact O-N 3.12Å; R332-Q630 VanDerWaalsContact NH2-NE2 3.16Å
333I95.8Very high95.8Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-65.2-27.8-179.1-166.370.7000112.1T298 D335 V336 V337 L623 L626 V627 Q630T298-I333 VanDerWaalsContact OG1-CD1 3.32Å; T298-I333 WeakPolarHBondContact OG1-CD1 3.37Å; I333-D335 PolarHBondContact O-N 2.92Å; I333-V336 HydrophobicContact CD1-CB 4.34Å; I333-V336 HydrophobicContact CD1-CG1 4.5Å; I333-V336 WeakPolarHBondContact O-CB 3.02Å; I333-V336 PolarHBondContact O-N 3.29Å; I333-V336 VanDerWaalsContact O-N 3.11Å; I333-V337 WeakPolarHBondContact O-CG2 3.24Å; I333-V337 PolarHBondContact O-N 3.24Å; I333-L623 HydrophobicContact CD1-CD2 4.15Å; I333-L623 HydrophobicContact CG1-CD2 4.37Å; I333-L626 HydrophobicContact CD1-CB 3.99Å; I333-L626 HydrophobicContact CD1-CD1 3.74Å; I333-L626 HydrophobicContact CD1-CG 4.41Å; I333-L626 HydrophobicContact CG1-CB 3.74Å; I333-L626 HydrophobicContact CG1-CD1 4.35Å; I333-V627 HydrophobicContact CG2-CB 4.1Å; I333-V627 HydrophobicContact CG2-CG2 3.46Å; I333-V627 VanDerWaalsContact CG2-CG2 3.46Å; I333-Q630 VanDerWaalsContact N-OE1 3.13Å
334E95.2Very high96Very high55 Ų5517.5 Ų17.526%0.2578%0.079SC..Hα-helixtrans-62.1-34.5175.5-57.393.1149.900111.6R332 V336 V337 D338 Q630R332-E334 WeakPolarHBondContact CB-OE2 3.45Å; R332-E334 IonicContact CZ-OE1 2.84Å; R332-E334 IonicContact CZ-OE2 3.26Å; R332-E334 IonicContact NE-OE1 2.91Å; R332-E334 IonicContact NE-OE2 3.9Å; R332-E334 PolarHBondContact NE-OE2 2.92Å; R332-E334 IonicContact NH2-OE1 3.24Å; R332-E334 PolarHBondContact NH2-OE1 3.26Å; R332-E334 IonicContact NH2-OE2 3.99Å; R332-E334 PolarHBondContact O-N 3.28Å; E334-V336 VanDerWaalsContact C-N 3.3Å; E334-V336 PolarHBondContact O-N 3.02Å; E334-V337 PolarHBondContact O-N 3.02Å; E334-D338 PolarHBondContact O-N 3.05Å; E334-Q630 PolarHBondContact OE1-NE2 2.9Å; E334-Q630 PolarHBondContact OE2-NE2 3.42Å
335D96.3Very high95.6Very high12 Ų1219.5 Ų19.56%0.0649%0.091CC..Hα-helixtrans-63.8-38.9175.1-52.1-27.3000111.2L119 L278 H331 R332 I333 D338 I339L119-D335 WeakPolarHBondContact CB-OD1 3.42Å; L119-D335 HydrophobicContact CD2-CB 3.78Å; L278-D335 HydrophobicContact CD2-CB 3.78Å; H331-D335 WeakPolarHBondContact CA-OD2 3.38Å; H331-D335 WeakPolarHBondContact CB-OD2 3.24Å; H331-D335 PolarHBondContact N-OD2 3.13Å; R332-D335 PolarHBondContact N-OD2 2.6Å; R332-D335 VanDerWaalsContact O-CB 3.31Å; R332-D335 WeakPolarHBondContact O-CB 3.46Å; R332-D335 PolarHBondContact O-N 3.32Å; R332-D335 VanDerWaalsContact O-N 3.12Å; I333-D335 PolarHBondContact O-N 2.92Å; D335-D338 PolarHBondContact O-N 3.19Å; D335-I339 PolarHBondContact O-N 3.06Å
336V97.4Very high94.5Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-68.8-41.1176.5170.70000110.8T298 F300 P328 I333 E334 D338 I339 L340T298-V336 HydrophobicContact CG2-CG2 3.88Å; F300-V336 HydrophobicContact CB-CG1 3.46Å; F300-V336 VanDerWaalsContact CB-CG1 3.46Å; P328-V336 HydrophobicContact CB-CG1 4.13Å; I333-V336 HydrophobicContact CD1-CB 4.34Å; I333-V336 HydrophobicContact CD1-CG1 4.5Å; I333-V336 WeakPolarHBondContact O-CB 3.02Å; I333-V336 PolarHBondContact O-N 3.29Å; I333-V336 VanDerWaalsContact O-N 3.11Å; E334-V336 VanDerWaalsContact C-N 3.3Å; E334-V336 PolarHBondContact O-N 3.02Å; V336-D338 VanDerWaalsContact C-N 3.29Å; V336-D338 PolarHBondContact O-N 3.37Å; V336-I339 PolarHBondContact O-N 2.59Å; V336-L340 HydrophobicContact CG1-CD1 4.08Å; V336-L340 HydrophobicContact CG1-CG 4.48Å; V336-L340 VanDerWaalsContact O-CG 3.32Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 3.32Å
337V96.9Very high93.9Very high4 Ų425.7 Ų25.72%0.02413%0.134CC..Hα-helixtrans-60.8-40.3174.4172.40000110.8I333 E334 I339 L340 K341 F360 Y365 L623I333-V337 WeakPolarHBondContact O-CG2 3.24Å; I333-V337 PolarHBondContact O-N 3.24Å; E334-V337 PolarHBondContact O-N 3.02Å; V337-I339 PolarHBondContact O-N 2.66Å; V337-L340 PolarHBondContact O-N 2.71Å; V337-K341 HydrophobicContact CG1-CD 3.97Å; V337-K341 HydrophobicContact CG1-CG 4.17Å; V337-K341 WeakPolarHBondContact O-CB 3.33Å; V337-K341 WeakPolarHBondContact O-CG 3.38Å; V337-K341 PolarHBondContact O-N 3.44Å; V337-F360 HydrophobicContact CG1-CE2 4.1Å; V337-F360 HydrophobicContact CG1-CZ 3.9Å; V337-Y365 HydrophobicContact CG1-CE1 4.37Å; V337-Y365 HydrophobicContact CG1-CE2 4.44Å; V337-Y365 HydrophobicContact CG2-CE2 3.94Å; V337-L623 HydrophobicContact CG2-CB 4.36Å; V337-L623 HydrophobicContact CG2-CD1 4.44Å; V337-L623 HydrophobicContact CG2-CD2 4.03Å
338D95.4Very high93.5Very high25 Ų2525.7 Ų25.713%0.13413%0.134CC..Hα-helixtrans-61.7-41.9177.5-83.7-18000112.2L119 R123 S182 I183 E334 D335 V336 S342L119-D338 HydrophobicContact CD2-CB 4.3Å; R123-D338 IonicContact CZ-OD2 2.73Å; R123-D338 IonicContact NH1-OD1 3.51Å; R123-D338 IonicContact NH1-OD2 2.57Å; R123-D338 PolarHBondContact NH1-OD2 3.23Å; R123-D338 IonicContact NH2-OD2 3.39Å; S182-D338 WeakPolarHBondContact OG-CB 3.43Å; S182-D338 PolarHBondContact OG-O 3.25Å; S182-D338 VanDerWaalsContact OG-O 3.14Å; S182-D338 PolarHBondContact OG-OD1 3.14Å; I183-D338 HydrophobicContact CG2-CB 4.16Å; E334-D338 PolarHBondContact O-N 3.05Å; D335-D338 PolarHBondContact O-N 3.19Å; V336-D338 VanDerWaalsContact C-N 3.29Å; V336-D338 PolarHBondContact O-N 3.37Å; D338-S342 WeakPolarHBondContact O-CB 3.24Å; D338-S342 PolarHBondContact O-N 3.28Å; D338-S342 VanDerWaalsContact O-N 3.12Å; D338-S342 PolarHBondContact O-OG 3.48Å
339I96.4Very high93.2Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-61.5-48.8172.9-65.7169.5000110.9I183 I188 L278 P328 D335 V336 V337 S342 L343I183-I339 HydrophobicContact CG2-CG1 4.21Å; I188-I339 HydrophobicContact CD1-CD1 4.17Å; L278-I339 HydrophobicContact CB-CD1 4.07Å; L278-I339 HydrophobicContact CD1-CD1 4.02Å; L278-I339 HydrophobicContact CD1-CG1 3.9Å; L278-I339 HydrophobicContact CD2-CD1 3.76Å; L278-I339 HydrophobicContact CD2-CG1 4.23Å; L278-I339 HydrophobicContact CG-CD1 4.15Å; P328-I339 HydrophobicContact CB-CB 4.08Å; P328-I339 HydrophobicContact CB-CD1 3.81Å; P328-I339 HydrophobicContact CB-CG2 3.82Å; P328-I339 HydrophobicContact CG-CB 4.37Å; P328-I339 HydrophobicContact CG-CG2 3.71Å; D335-I339 PolarHBondContact O-N 3.06Å; V336-I339 PolarHBondContact O-N 2.59Å; V337-I339 PolarHBondContact O-N 2.66Å; I339-S342 PolarHBondContact O-N 3.35Å; I339-L343 HydrophobicContact CG2-CD1 3.48Å; I339-L343 VanDerWaalsContact CG2-CD1 3.48Å; I339-L343 HydrophobicContact CG2-CG 4.25Å; I339-L343 WeakPolarHBondContact O-CG 3.4Å; I339-L343 PolarHBondContact O-N 3.12Å
340L96.9Very high92.9Very high0 Ų030.7 Ų30.70%017%0.172CC..Hα-helixtrans-65.7-41.1-176.1-66.1175.3000112.1F300 P302 M307 P328 V336 V337 S342 L343 W344 L623F300-L340 HydrophobicContact CD1-CD1 3.8Å; F300-L340 HydrophobicContact CE1-CD1 4.37Å; F300-L340 HydrophobicContact CG-CD1 4.35Å; P302-L340 HydrophobicContact CG-CD2 3.92Å; M307-L340 HydrophobicContact SD-CD2 4.46Å; P328-L340 HydrophobicContact CG-CD2 3.7Å; P328-L340 HydrophobicContact CG-CG 4.27Å; V336-L340 HydrophobicContact CG1-CD1 4.08Å; V336-L340 HydrophobicContact CG1-CG 4.48Å; V336-L340 VanDerWaalsContact O-CG 3.32Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 3.32Å; V337-L340 PolarHBondContact O-N 2.71Å; L340-S342 VanDerWaalsContact C-N 3.27Å; L340-S342 PolarHBondContact O-N 2.91Å; L340-L343 PolarHBondContact O-N 3.03Å; L340-W344 HydrophobicContact CB-CD2 4.28Å; L340-W344 HydrophobicContact CB-CE3 4.25Å; L340-W344 HydrophobicContact CB-CH2 4.22Å; L340-W344 HydrophobicContact CB-CZ2 4.25Å; L340-W344 HydrophobicContact CB-CZ3 4.21Å; L340-W344 HydrophobicContact CD1-CH2 3.96Å; L340-W344 HydrophobicContact CD1-CZ2 4.19Å; L340-W344 HydrophobicContact CD2-CH2 4.21Å; L340-W344 HydrophobicContact CD2-CZ2 3.6Å; L340-W344 HydrophobicContact CG-CH2 4.36Å; L340-W344 HydrophobicContact CG-CZ2 4.22Å; L340-W344 VanDerWaalsContact O-CB 3.28Å; L340-W344 WeakPolarHBondContact O-CB 3.44Å; L340-W344 VanDerWaalsContact O-CG 3.26Å; L340-W344 PolarHBondContact O-N 2.72Å; L340-L623 HydrophobicContact CD1-CD1 3.67Å; L340-L623 HydrophobicContact CD1-CD2 4.13Å
341K95Very high92.7Very high62 Ų6235.2 Ų35.227%0.2719%0.189SC..Hα-helixtrans-60.8-37.6173.9-79-175.6169.8-162.40112.5V337 T345 F360 D362V337-K341 HydrophobicContact CG1-CD 3.97Å; V337-K341 HydrophobicContact CG1-CG 4.17Å; V337-K341 WeakPolarHBondContact O-CB 3.33Å; V337-K341 WeakPolarHBondContact O-CG 3.38Å; V337-K341 PolarHBondContact O-N 3.44Å; K341-T345 VanDerWaalsContact O-CG2 3.3Å; K341-T345 WeakPolarHBondContact O-CG2 3.46Å; K341-F360 HydrophobicContact CD-CD1 4.29Å; K341-F360 HydrophobicContact CD-CE1 4.41Å; K341-F360 HydrophobicContact CD-CG 4.49Å; K341-F360 VanDerWaalsContact CE-CD1 3.43Å; K341-F360 HydrophobicContact CG-CB 4Å; K341-F360 HydrophobicContact CG-CD1 3.84Å; K341-F360 HydrophobicContact CG-CD2 3.67Å; K341-F360 HydrophobicContact CG-CE1 4.22Å; K341-F360 HydrophobicContact CG-CE2 4.07Å; K341-F360 HydrophobicContact CG-CG 3.56Å; K341-F360 HydrophobicContact CG-CZ 4.34Å; K341-D362 WeakPolarHBondContact CE-OD1 3.33Å; K341-D362 IonicContact NZ-OD1 3.89Å; K341-D362 PolarHBondContact NZ-OD1 3.36Å; K341-D362 IonicContact NZ-OD2 2.69Å
342S94Very high92.6Very high7 Ų732.2 Ų32.25%0.04918%0.175CC..Hα-helixtrans-73.8-40.2179.6-59.70000112S182 C226 D338 I339 L340 T345S182-S342 PolarHBondContact OG-OG 3.45Å; S182-S342 VanDerWaalsContact OG-OG 3.11Å; C226-S342 PolarHBondContact SG-O 3Å; D338-S342 WeakPolarHBondContact O-CB 3.24Å; D338-S342 PolarHBondContact O-N 3.28Å; D338-S342 VanDerWaalsContact O-N 3.12Å; D338-S342 PolarHBondContact O-OG 3.48Å; I339-S342 PolarHBondContact O-N 3.35Å; L340-S342 VanDerWaalsContact C-N 3.27Å; L340-S342 PolarHBondContact O-N 2.91Å; S342-T345 WeakPolarHBondContact O-CG2 3.41Å; S342-T345 PolarHBondContact O-OG1 3.4Å
343L94.4Very high92.4Very high0 Ų031.9 Ų31.90%019%0.19CC..Hα-helixtrans-82.4-31.1-177.4-68.1172.1000114.1L219 A222 L223 M307 I339 L340 T345 M348L219-L343 HydrophobicContact CD1-CD1 4.24Å; A222-L343 HydrophobicContact CB-CD2 4.01Å; L223-L343 HydrophobicContact CD2-CD1 3.94Å; L223-L343 HydrophobicContact CD2-CD2 3.84Å; L223-L343 HydrophobicContact CD2-CG 4.29Å; L223-L343 HydrophobicContact CG-CD2 3.99Å; M307-L343 HydrophobicContact CE-CB 4.34Å; M307-L343 HydrophobicContact CE-CD1 3.43Å; M307-L343 VanDerWaalsContact CE-CD1 3.43Å; M307-L343 HydrophobicContact CE-CG 4.48Å; M307-L343 HydrophobicContact SD-CB 4.49Å; M307-L343 HydrophobicContact SD-CD1 4.49Å; I339-L343 HydrophobicContact CG2-CD1 3.48Å; I339-L343 VanDerWaalsContact CG2-CD1 3.48Å; I339-L343 HydrophobicContact CG2-CG 4.25Å; I339-L343 WeakPolarHBondContact O-CG 3.4Å; I339-L343 PolarHBondContact O-N 3.12Å; L340-L343 PolarHBondContact O-N 3.03Å; L343-T345 PolarHBondContact O-N 3.43Å; L343-M348 WeakPolarHBondContact O-CE 3.45Å
344W94.3Very high92.2Very high3 Ų337 Ų371%0.01122%0.222CC..SBendtrans-80.351.5175.2-60.2-15.3000111.2P302 R306 M307 L340 A359 F360 D619P302-W344 HydrophobicContact CB-CZ2 4Å; P302-W344 HydrophobicContact CG-CZ2 3.99Å; R306-W344 HydrophobicContact CG-CD2 4.34Å; R306-W344 HydrophobicContact CG-CZ2 3.8Å; R306-W344 VanDerWaalsContact CZ-CE3 3.5Å; R306-W344 VanDerWaalsContact NE-CH2 3.27Å; R306-W344 VanDerWaalsContact NE-CZ2 3.28Å; R306-W344 PolarHBondContact O-NE1 3.35Å; M307-W344 PolarHBondContact SD-NE1 2.98Å; M307-W344 VanDerWaalsContact SD-NE1 3.36Å; L340-W344 HydrophobicContact CB-CD2 4.28Å; L340-W344 HydrophobicContact CB-CE3 4.25Å; L340-W344 HydrophobicContact CB-CH2 4.22Å; L340-W344 HydrophobicContact CB-CZ2 4.25Å; L340-W344 HydrophobicContact CB-CZ3 4.21Å; L340-W344 HydrophobicContact CD1-CH2 3.96Å; L340-W344 HydrophobicContact CD1-CZ2 4.19Å; L340-W344 HydrophobicContact CD2-CH2 4.21Å; L340-W344 HydrophobicContact CD2-CZ2 3.6Å; L340-W344 HydrophobicContact CG-CH2 4.36Å; L340-W344 HydrophobicContact CG-CZ2 4.22Å; L340-W344 VanDerWaalsContact O-CB 3.28Å; L340-W344 WeakPolarHBondContact O-CB 3.44Å; L340-W344 VanDerWaalsContact O-CG 3.26Å; L340-W344 PolarHBondContact O-N 2.72Å; W344-A359 WeakPolarHBondContact O-CA 3.4Å; W344-F360 HydrophobicContact CE3-CB 4.05Å; W344-F360 AromaticContact CE3-CD2 3.58Å; W344-F360 HydrophobicContact CE3-CD2 3.58Å; W344-F360 HydrophobicContact CE3-CG 4.26Å; W344-F360 AromaticContact CZ3-CD2 3.58Å; W344-F360 HydrophobicContact CZ3-CD2 3.58Å; W344-F360 HydrophobicContact CZ3-CE2 4.1Å; W344-D619 HydrophobicContact CH2-CB 3.85Å; W344-D619 HydrophobicContact CZ3-CB 4.49Å
345T85Confident92.1Very high55 Ų5535.1 Ų35.134%0.33721%0.213SC..SBendtrans-123.2174.4178.361.20000109.7K341 S342 L343 S347 F349K341-T345 VanDerWaalsContact O-CG2 3.3Å; K341-T345 WeakPolarHBondContact O-CG2 3.46Å; S342-T345 WeakPolarHBondContact O-CG2 3.41Å; S342-T345 PolarHBondContact O-OG1 3.4Å; L343-T345 PolarHBondContact O-N 3.43Å; T345-S347 PolarHBondContact O-N 2.91Å; T345-S347 VanDerWaalsContact O-N 3.13Å; T345-S347 PolarHBondContact OG1-OG 2.86Å; T345-F349 WeakPolarHBondContact O-CD2 3.44Å; T345-F349 VanDerWaalsContact O-CE2 3.32Å; T345-F349 WeakPolarHBondContact O-CE2 3.31Å
346S71.5Confident91.8Very high102 Ų10238.4 Ų38.471%0.71324%0.236SC*.Hα-helixtrans-60.5-24.2-172.6-54.20000114.8A350S346-A350 WeakPolarHBondContact O-CB 3.39Å; S346-A350 PolarHBondContact O-N 3.16Å
347S84.7Confident91.5Very high30 Ų3043.2 Ų43.221%0.2127%0.267CS..Hα-helixtrans-67.2-49.2-175.157.20000113T345 F349 A350 Y351T345-S347 PolarHBondContact O-N 2.91Å; T345-S347 VanDerWaalsContact O-N 3.13Å; T345-S347 PolarHBondContact OG1-OG 2.86Å; S347-F349 VanDerWaalsContact C-N 3.3Å; S347-F349 PolarHBondContact O-N 3.03Å; S347-A350 WeakPolarHBondContact O-CB 3.27Å; S347-A350 PolarHBondContact O-N 3.34Å; S347-A350 VanDerWaalsContact O-N 3.13Å; S347-Y351 VanDerWaalsContact O-CD2 3.24Å; S347-Y351 WeakPolarHBondContact O-CD2 3.49Å; S347-Y351 PolarHBondContact O-N 3.23Å
348M91Very high91.3Very high0 Ų045.6 Ų45.60%028%0.279CS..Hα-helixtrans-61.5-41.1178.1-174.7176.762.300111.5A222 R306 M307 L343 A350 Y351 D352 L355A222-M348 HydrophobicContact CB-CB 3.83Å; A222-M348 HydrophobicContact CB-CG 4.12Å; R306-M348 WeakPolarHBondContact O-CE 3.29Å; M307-M348 HydrophobicContact SD-CE 4.33Å; M307-M348 HydrophobicContact SD-SD 4.39Å; L343-M348 WeakPolarHBondContact O-CE 3.45Å; M348-A350 VanDerWaalsContact C-N 3.29Å; M348-A350 PolarHBondContact O-N 3.45Å; M348-Y351 PolarHBondContact O-N 3.27Å; M348-D352 PolarHBondContact O-N 3.48Å; M348-L355 HydrophobicContact CE-CD1 4.14Å; M348-L355 HydrophobicContact CG-CD1 4.25Å; M348-L355 HydrophobicContact SD-CD1 4.38Å
349F92Very high91.2Very high24 Ų2447.4 Ų47.411%0.10530%0.297CS..Hα-helixtrans-68.9-27.7177.9-52.5-46.3000112.7T345 S347 D352 L355 C356 P357T345-F349 WeakPolarHBondContact O-CD2 3.44Å; T345-F349 VanDerWaalsContact O-CE2 3.32Å; T345-F349 WeakPolarHBondContact O-CE2 3.31Å; S347-F349 VanDerWaalsContact C-N 3.3Å; S347-F349 PolarHBondContact O-N 3.03Å; F349-D352 CarbonylContact O-C 3.51Å; F349-D352 VanDerWaalsContact O-C 3.29Å; F349-L355 HydrophobicContact CD1-CB 3.96Å; F349-L355 HydrophobicContact CD1-CD1 4.29Å; F349-L355 HydrophobicContact CE1-CB 4.37Å; F349-C356 WeakPolarHBondContact CE1-O 3.48Å; F349-P357 HydrophobicContact CB-CB 4.11Å; F349-P357 VanDerWaalsContact CD2-CA 3.49Å; F349-P357 HydrophobicContact CD2-CB 3.75Å; F349-P357 HydrophobicContact CE2-CB 4.33Å; F349-P357 HydrophobicContact CG-CB 3.92Å
350A91.5Very high91.1Very high82 Ų8248.5 Ų48.568%0.67830%0.302SS*.Hα-helixtrans-69.1-40174.500000112.1S346 S347 M348S346-A350 WeakPolarHBondContact O-CB 3.39Å; S346-A350 PolarHBondContact O-N 3.16Å; S347-A350 WeakPolarHBondContact O-CB 3.27Å; S347-A350 PolarHBondContact O-N 3.34Å; S347-A350 VanDerWaalsContact O-N 3.13Å; M348-A350 VanDerWaalsContact C-N 3.29Å; M348-A350 PolarHBondContact O-N 3.45Å
351Y92.9Very high91Very high95 Ų9551.8 Ų51.837%0.37332%0.32SS..Hα-helixtrans-72.9-37.2175.2-67.3-58.9000113I218 K221 D225 K310 S347 M348I218-Y351 WeakPolarHBondContact CD1-O 3.2Å; I218-Y351 HydrophobicContact CG2-CD2 4.46Å; I218-Y351 HydrophobicContact CG2-CG 4.34Å; K221-Y351 HydrophobicContact CB-CD2 4.25Å; K221-Y351 HydrophobicContact CB-CE2 3.96Å; D225-Y351 PolarHBondContact OD1-OH 2.86Å; D225-Y351 WeakPolarHBondContact OD2-CE2 2.95Å; D225-Y351 PolarHBondContact OD2-OH 3.14Å; K310-Y351 PolarHBondContact NZ-O 2.92Å; S347-Y351 VanDerWaalsContact O-CD2 3.24Å; S347-Y351 WeakPolarHBondContact O-CD2 3.49Å; S347-Y351 PolarHBondContact O-N 3.23Å; M348-Y351 PolarHBondContact O-N 3.27Å
352D93.8Very high91Very high3 Ų351.4 Ų51.42%0.01632%0.32CS..  trans-117.184.2-180-163.9-3.5000112.2I218 S308 M348 F349 T354 L355I218-D352 HydrophobicContact CD1-CB 3.91Å; I218-D352 HydrophobicContact CG2-CB 4.25Å; S308-D352 WeakPolarHBondContact CB-OD2 3.49Å; S308-D352 PolarHBondContact OG-OD2 3.35Å; M348-D352 PolarHBondContact O-N 3.48Å; F349-D352 CarbonylContact O-C 3.51Å; F349-D352 VanDerWaalsContact O-C 3.29Å; D352-T354 PolarHBondContact O-N 3.2Å; D352-T354 WeakPolarHBondContact OD1-CB 3.5Å; D352-T354 PolarHBondContact OD1-N 3.45Å; D352-T354 VanDerWaalsContact OD1-N 3.13Å; D352-T354 PolarHBondContact OD1-OG1 2.88Å; D352-L355 HydrophobicContact CB-CD1 3.99Å; D352-L355 HydrophobicContact CB-CG 3.95Å; D352-L355 PolarHBondContact O-N 3.45Å; D352-L355 VanDerWaalsContact O-N 3.1Å
353C90.8Very high91Very high110 Ų11059.7 Ų59.774%0.74336%0.355SS*.THydrogen-bonded Turntrans-64.8-2.9175.762.60000114.5
354T91.4Very high91Very high109 Ų10961.9 Ų61.967%0.66937%0.366SS*.THydrogen-bonded Turntrans-83.7-15.3173.573.90000112.8D352D352-T354 PolarHBondContact O-N 3.2Å; D352-T354 WeakPolarHBondContact OD1-CB 3.5Å; D352-T354 PolarHBondContact OD1-N 3.45Å; D352-T354 VanDerWaalsContact OD1-N 3.13Å; D352-T354 PolarHBondContact OD1-OG1 2.88Å
355L92.3Very high91.1Very high15 Ų1562.9 Ų62.98%0.07937%0.37CS..SBendtrans-84.2147.1177.3-54.5-178.4000111.3Y305 M348 F349 D352Y305-L355 WeakPolarHBondContact O-CD2 3.41Å; M348-L355 HydrophobicContact CE-CD1 4.14Å; M348-L355 HydrophobicContact CG-CD1 4.25Å; M348-L355 HydrophobicContact SD-CD1 4.38Å; F349-L355 HydrophobicContact CD1-CB 3.96Å; F349-L355 HydrophobicContact CD1-CD1 4.29Å; F349-L355 HydrophobicContact CE1-CB 4.37Å; D352-L355 HydrophobicContact CB-CD1 3.99Å; D352-L355 HydrophobicContact CB-CG 3.95Å; D352-L355 PolarHBondContact O-N 3.45Å; D352-L355 VanDerWaalsContact O-N 3.1Å
356C90.4Very high91.7Very high81 Ų8165 Ų6555%0.54737%0.374SS..  trans-72.5126.4168.2-174.40000108.9F349 M358F349-C356 WeakPolarHBondContact CE1-O 3.48Å; C356-M358 PolarHBondContact O-N 3.12Å
357P91.2Very high92.8Very high100 Ų10062.2 Ų62.265%0.64935%0.353SS*.  trans-74.471.1-179.731.8-36.1000111.3F349F349-P357 HydrophobicContact CB-CB 4.11Å; F349-P357 VanDerWaalsContact CD2-CA 3.49Å; F349-P357 HydrophobicContact CD2-CB 3.75Å; F349-P357 HydrophobicContact CE2-CB 4.33Å; F349-P357 HydrophobicContact CG-CB 3.92Å
358M92.1Very high93.3Very high54 Ų5460.8 Ų60.827%0.26634%0.343SS..  trans-104.7105.3-175.7-170.5179.164.600110.1R306 C356 W617R306-M358 HydrophobicContact CG-CE 4.22Å; R306-M358 VanDerWaalsContact NE-CE 3.34Å; C356-M358 PolarHBondContact O-N 3.12Å; M358-W617 HydrophobicContact CE-CE3 3.47Å; M358-W617 VanDerWaalsContact CE-CE3 3.47Å; M358-W617 HydrophobicContact CE-CZ3 3.86Å; M358-W617 HydrophobicContact SD-CE3 4.26Å
359A93Very high93.3Very high63 Ų6361.7 Ų61.752%0.52135%0.351SS..  trans-70.4163.617800000112.7W344 N361W344-A359 WeakPolarHBondContact O-CA 3.4Å; A359-N361 PolarHBondContact O-N 3.2Å
360F95.2Very high93.4Very high23 Ų2366.2 Ų66.210%0.10137%0.373CS..  trans-61.6127.3173.7-169.9-81.3000111.5V337 K341 W344 D362 Y365 E620 L623V337-F360 HydrophobicContact CG1-CE2 4.1Å; V337-F360 HydrophobicContact CG1-CZ 3.9Å; K341-F360 HydrophobicContact CD-CD1 4.29Å; K341-F360 HydrophobicContact CD-CE1 4.41Å; K341-F360 HydrophobicContact CD-CG 4.49Å; K341-F360 VanDerWaalsContact CE-CD1 3.43Å; K341-F360 HydrophobicContact CG-CB 4Å; K341-F360 HydrophobicContact CG-CD1 3.84Å; K341-F360 HydrophobicContact CG-CD2 3.67Å; K341-F360 HydrophobicContact CG-CE1 4.22Å; K341-F360 HydrophobicContact CG-CE2 4.07Å; K341-F360 HydrophobicContact CG-CG 3.56Å; K341-F360 HydrophobicContact CG-CZ 4.34Å; W344-F360 HydrophobicContact CE3-CB 4.05Å; W344-F360 AromaticContact CE3-CD2 3.58Å; W344-F360 HydrophobicContact CE3-CD2 3.58Å; W344-F360 HydrophobicContact CE3-CG 4.26Å; W344-F360 AromaticContact CZ3-CD2 3.58Å; W344-F360 HydrophobicContact CZ3-CD2 3.58Å; W344-F360 HydrophobicContact CZ3-CE2 4.1Å; F360-D362 PolarHBondContact O-N 3.4Å; F360-Y365 AromaticContact CE1-CD1 3.9Å; F360-Y365 HydrophobicContact CE1-CD1 3.9Å; F360-Y365 HydrophobicContact CE1-CD2 4.47Å; F360-Y365 AromaticContact CE1-CG 3.75Å; F360-Y365 HydrophobicContact CE1-CG 3.75Å; F360-Y365 HydrophobicContact CZ-CD1 4.06Å; F360-Y365 AromaticContact CZ-CD2 3.92Å; F360-Y365 HydrophobicContact CZ-CD2 3.92Å; F360-Y365 HydrophobicContact CZ-CE2 4.5Å; F360-Y365 AromaticContact CZ-CG 3.66Å; F360-Y365 HydrophobicContact CZ-CG 3.66Å; F360-E620 HydrophobicContact CD1-CG 4.39Å; F360-E620 HydrophobicContact CD2-CG 4.33Å; F360-E620 HydrophobicContact CE1-CG 4.12Å; F360-E620 HydrophobicContact CE2-CG 4.05Å; F360-E620 HydrophobicContact CG-CG 4.48Å; F360-E620 HydrophobicContact CZ-CG 3.94Å; F360-L623 HydrophobicContact CE2-CD1 3.84Å; F360-L623 HydrophobicContact CZ-CD1 4.41Å
361N95.1Very high93.2Very high70 Ų7062.9 Ų62.937%0.37435%0.346SS..  trans-91.987.4-178.5-171.8-1000112.3A359 K363 E364 Y365 E620A359-N361 PolarHBondContact O-N 3.2Å; N361-K363 PolarHBondContact O-N 2.63Å; N361-K363 WeakPolarHBondContact OD1-CB 3.49Å; N361-K363 PolarHBondContact OD1-N 3.38Å; N361-K363 VanDerWaalsContact OD1-N 3.12Å; N361-E364 HydrophobicContact CB-CB 4.37Å; N361-E364 PolarHBondContact O-N 2.87Å; N361-E364 VanDerWaalsContact O-N 3.16Å; N361-E364 PolarHBondContact OD1-N 3.48Å; N361-Y365 PolarHBondContact O-N 3.07Å; N361-Y365 VanDerWaalsContact O-N 3.15Å; N361-E620 HydrophobicContact CB-CG 4.16Å; N361-E620 PolarHBondContact N-OE1 2.69Å
362D94.7Very high93.1Very high54 Ų5464.1 Ų64.129%0.28936%0.359SS..Hα-helixtrans-58.7-26.8175.3-87-72.4000114K341 F360 E364 K366K341-D362 WeakPolarHBondContact CE-OD1 3.33Å; K341-D362 IonicContact NZ-OD1 3.89Å; K341-D362 PolarHBondContact NZ-OD1 3.36Å; K341-D362 IonicContact NZ-OD2 2.69Å; F360-D362 PolarHBondContact O-N 3.4Å; D362-E364 VanDerWaalsContact C-N 3.3Å; D362-E364 PolarHBondContact O-N 3.46Å; D362-K366 HydrophobicContact CB-CD 4.41Å; D362-K366 WeakPolarHBondContact O-CB 3.49Å; D362-K366 WeakPolarHBondContact O-CG 3.36Å; D362-K366 PolarHBondContact O-N 2.96Å; D362-K366 VanDerWaalsContact OD1-CE 3.3Å; D362-K366 WeakPolarHBondContact OD1-CE 3.47Å
363K94.6Very high93.1Very high180 Ų18067.9 Ų67.978%0.78337%0.373SS*.Hα-helixtrans-70-29.9179.9-60.6178.9179176.40112.2N361 P367N361-K363 PolarHBondContact O-N 2.63Å; N361-K363 WeakPolarHBondContact OD1-CB 3.49Å; N361-K363 PolarHBondContact OD1-N 3.38Å; N361-K363 VanDerWaalsContact OD1-N 3.12Å; K363-P367 WeakPolarHBondContact O-CD 3.37Å; K363-P367 VanDerWaalsContact O-CG 3.24Å; K363-P367 WeakPolarHBondContact O-CG 3.4Å
364E94.4Very high93.2Very high46 Ų4667.8 Ų67.822%0.21536%0.36CS..Hα-helixtrans-84.5-42.7176.1-169.568.1-173.400110.7N361 D362 I368 R373 E620 L621N361-E364 HydrophobicContact CB-CB 4.37Å; N361-E364 PolarHBondContact O-N 2.87Å; N361-E364 VanDerWaalsContact O-N 3.16Å; N361-E364 PolarHBondContact OD1-N 3.48Å; D362-E364 VanDerWaalsContact C-N 3.3Å; D362-E364 PolarHBondContact O-N 3.46Å; E364-I368 WeakPolarHBondContact O-CD1 3.29Å; E364-R373 IonicContact OE1-CZ 3.49Å; E364-R373 IonicContact OE1-NH1 2.69Å; E364-R373 PolarHBondContact OE1-NH1 3.06Å; E364-R373 IonicContact OE1-NH2 3.56Å; E364-R373 IonicContact OE2-NH1 3.05Å; E364-R373 PolarHBondContact OE2-NH1 3.11Å; E364-E620 HydrophobicContact CB-CB 4.17Å; E364-E620 HydrophobicContact CG-CB 4.3Å; E364-L621 HydrophobicContact CG-CB 4.37Å
365Y96.4Very high93.4Very high24 Ų2462.9 Ų62.99%0.09433%0.33CS..Hα-helixtrans-67.3-53-176.6170-105000113.7V337 F360 N361 I368 A369 L623 V627V337-Y365 HydrophobicContact CG1-CE1 4.37Å; V337-Y365 HydrophobicContact CG1-CE2 4.44Å; V337-Y365 HydrophobicContact CG2-CE2 3.94Å; F360-Y365 AromaticContact CE1-CD1 3.9Å; F360-Y365 HydrophobicContact CE1-CD1 3.9Å; F360-Y365 HydrophobicContact CE1-CD2 4.47Å; F360-Y365 AromaticContact CE1-CG 3.75Å; F360-Y365 HydrophobicContact CE1-CG 3.75Å; F360-Y365 HydrophobicContact CZ-CD1 4.06Å; F360-Y365 AromaticContact CZ-CD2 3.92Å; F360-Y365 HydrophobicContact CZ-CD2 3.92Å; F360-Y365 HydrophobicContact CZ-CE2 4.5Å; F360-Y365 AromaticContact CZ-CG 3.66Å; F360-Y365 HydrophobicContact CZ-CG 3.66Å; N361-Y365 PolarHBondContact O-N 3.07Å; N361-Y365 VanDerWaalsContact O-N 3.15Å; Y365-I368 PolarHBondContact O-N 2.9Å; Y365-A369 HydrophobicContact CE1-CB 4.32Å; Y365-A369 HydrophobicContact CE2-CB 4.25Å; Y365-A369 PolarHBondContact O-N 2.86Å; Y365-L623 HydrophobicContact CD2-CB 4.04Å; Y365-L623 HydrophobicContact CE2-CB 4.12Å; Y365-V627 HydrophobicContact CE2-CG2 3.95Å; Y365-V627 WeakPolarHBondContact OH-CG2 3.36Å
366K95.6Very high93.7Very high101 Ų10164.6 Ų64.644%0.43934%0.337SS..Hα-helixtrans-61.3-47.7-169.5-71.3-178177.3-177.20113.7D362 I368 A369 E370D362-K366 HydrophobicContact CB-CD 4.41Å; D362-K366 WeakPolarHBondContact O-CB 3.49Å; D362-K366 WeakPolarHBondContact O-CG 3.36Å; D362-K366 PolarHBondContact O-N 2.96Å; D362-K366 VanDerWaalsContact OD1-CE 3.3Å; D362-K366 WeakPolarHBondContact OD1-CE 3.47Å; K366-I368 PolarHBondContact O-N 3.24Å; K366-I368 VanDerWaalsContact O-N 3.13Å; K366-A369 PolarHBondContact O-N 3.05Å; K366-E370 VanDerWaalsContact O-CB 3.31Å; K366-E370 WeakPolarHBondContact O-CB 3.37Å; K366-E370 VanDerWaalsContact O-CG 3.28Å; K366-E370 WeakPolarHBondContact O-CG 3.36Å; K366-E370 PolarHBondContact O-N 3.16Å
367P95.7Very high94Very high42 Ų4260.8 Ų60.827%0.27331%0.31SS..Hα-helixtrans-60.6-28.4-178.7-2536.3000113.5K363 G371 N372 R373K363-P367 WeakPolarHBondContact O-CD 3.37Å; K363-P367 VanDerWaalsContact O-CG 3.24Å; K363-P367 WeakPolarHBondContact O-CG 3.4Å; P367-G371 PolarHBondContact O-N 3.4Å; P367-N372 HydrophobicContact CB-CB 4.37Å; P367-N372 CarbonylContact O-C 3.52Å; P367-N372 WeakPolarHBondContact O-CA 3.16Å; P367-N372 WeakPolarHBondContact O-CB 3.21Å; P367-N372 PolarHBondContact O-N 2.8Å; P367-R373 HydrophobicContact CB-CB 4.11Å; P367-R373 PolarHBondContact O-N 2.74Å
368I94.3Very high94.3Very high0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-81.1-47.9178.6-57.9168000109.9E364 Y365 K366 E370 G371 R373 L375 L621 G624 L625E364-I368 WeakPolarHBondContact O-CD1 3.29Å; Y365-I368 PolarHBondContact O-N 2.9Å; K366-I368 PolarHBondContact O-N 3.24Å; K366-I368 VanDerWaalsContact O-N 3.13Å; I368-E370 VanDerWaalsContact C-N 3.25Å; I368-E370 PolarHBondContact O-N 2.84Å; I368-G371 PolarHBondContact O-N 2.89Å; I368-R373 HydrophobicContact CG1-CB 4.15Å; I368-R373 HydrophobicContact CG1-CG 4.43Å; I368-L375 HydrophobicContact CD1-CD1 4.39Å; I368-L375 HydrophobicContact CD1-CD2 4.34Å; I368-L375 HydrophobicContact CG1-CD2 4.5Å; I368-L375 HydrophobicContact CG2-CD1 3.87Å; I368-L621 HydrophobicContact CD1-CB 4.2Å; I368-L621 HydrophobicContact CD1-CD2 4.26Å; I368-L621 HydrophobicContact CD1-CG 3.72Å; I368-G624 VanDerWaalsContact CG2-C 3.47Å; I368-L625 HydrophobicContact CG2-CB 4.42Å
369A92.9Very high94.5Very high20 Ų2053.5 Ų53.517%0.16527%0.267CS..Hα-helixtrans-58.3-38.6177.600000112.1Y365 K366 G371 V627Y365-A369 HydrophobicContact CE1-CB 4.32Å; Y365-A369 HydrophobicContact CE2-CB 4.25Å; Y365-A369 PolarHBondContact O-N 2.86Å; K366-A369 PolarHBondContact O-N 3.05Å; A369-G371 VanDerWaalsContact C-N 3.31Å; A369-V627 HydrophobicContact CB-CB 4.21Å; A369-V627 HydrophobicContact CB-CG1 4.06Å
370E92.7Very high94.5Very high119 Ų11951.2 Ų51.256%0.55625%0.245SC*.THydrogen-bonded Turntrans-79.8-9.2176.9-65.7167.3-174.300113.3K366 I368 N372K366-E370 VanDerWaalsContact O-CB 3.31Å; K366-E370 WeakPolarHBondContact O-CB 3.37Å; K366-E370 VanDerWaalsContact O-CG 3.28Å; K366-E370 WeakPolarHBondContact O-CG 3.36Å; K366-E370 PolarHBondContact O-N 3.16Å; I368-E370 VanDerWaalsContact C-N 3.25Å; I368-E370 PolarHBondContact O-N 2.84Å; E370-N372 VanDerWaalsContact C-N 3.34Å; E370-N372 PolarHBondContact OE2-ND2 2.63Å; E370-N372 VanDerWaalsContact OE2-ND2 3.12Å
371G88.3Confident94.2Very high11 Ų1151.1 Ų51.111%0.11325%0.248CC..THydrogen-bonded Turntrans79.411178.800000115.5P367 I368 A369 K374P367-G371 PolarHBondContact O-N 3.4Å; I368-G371 PolarHBondContact O-N 2.89Å; A369-G371 VanDerWaalsContact C-N 3.31Å; G371-K374 PolarHBondContact O-NZ 3.45Å
372N90.7Very high93.7Very high121 Ų12150.4 Ų50.465%0.64724%0.243SC*.  trans-74.7-24.8178.5-67.5-31000113.1P367 E370P367-N372 HydrophobicContact CB-CB 4.37Å; P367-N372 CarbonylContact O-C 3.52Å; P367-N372 WeakPolarHBondContact O-CA 3.16Å; P367-N372 WeakPolarHBondContact O-CB 3.21Å; P367-N372 PolarHBondContact O-N 2.8Å; E370-N372 VanDerWaalsContact C-N 3.34Å; E370-N372 PolarHBondContact OE2-ND2 2.63Å; E370-N372 VanDerWaalsContact OE2-ND2 3.12Å
373R93Very high93.2Very high83 Ų8348 Ų4831%0.31323%0.23SC..SBendtrans-110.6122.9175.7-179.3172.8171.7-170.1-9.4111.2E364 P367 I368 L375E364-R373 IonicContact OE1-CZ 3.49Å; E364-R373 IonicContact OE1-NH1 2.69Å; E364-R373 PolarHBondContact OE1-NH1 3.06Å; E364-R373 IonicContact OE1-NH2 3.56Å; E364-R373 IonicContact OE2-NH1 3.05Å; E364-R373 PolarHBondContact OE2-NH1 3.11Å; P367-R373 HydrophobicContact CB-CB 4.11Å; P367-R373 PolarHBondContact O-N 2.74Å; I368-R373 HydrophobicContact CG1-CB 4.15Å; I368-R373 HydrophobicContact CG1-CG 4.43Å; R373-L375 HydrophobicContact CG-CD2 4.15Å
374K93.3Very high92.3Very high108 Ų10845.2 Ų45.247%0.4722%0.224SC..  trans-85148.1170.9-51.9-50.2177.9-167.60109.7G371 Q407 G408G371-K374 PolarHBondContact O-NZ 3.45Å; K374-Q407 VanDerWaalsContact CE-O 3.28Å; K374-Q407 WeakPolarHBondContact CE-O 3.4Å; K374-Q407 PolarHBondContact NZ-O 2.89Å; K374-G408 WeakPolarHBondContact CG-O 3.03Å
375L96.2Very high91.3Very high5 Ų546.8 Ų46.83%0.02625%0.253CS..  trans-127.3152.5-173.2-60.4177.2000109.3I368 R373 I377 H409 E410 D525 V526 L621 L625I368-L375 HydrophobicContact CD1-CD1 4.39Å; I368-L375 HydrophobicContact CD1-CD2 4.34Å; I368-L375 HydrophobicContact CG1-CD2 4.5Å; I368-L375 HydrophobicContact CG2-CD1 3.87Å; R373-L375 HydrophobicContact CG-CD2 4.15Å; L375-I377 HydrophobicContact CB-CG1 4.16Å; L375-H409 PolarHBondContact N-ND1 3.43Å; L375-H409 VanDerWaalsContact N-ND1 3.15Å; L375-E410 PolarHBondContact O-N 3.03Å; L375-D525 VanDerWaalsContact CA-OD2 3.32Å; L375-D525 WeakPolarHBondContact CA-OD2 3.17Å; L375-D525 HydrophobicContact CB-CB 4.27Å; L375-D525 HydrophobicContact CD2-CB 4.15Å; L375-V526 HydrophobicContact CD1-CG2 4.44Å; L375-L621 HydrophobicContact CD1-CD2 3.84Å; L375-L621 HydrophobicContact CD2-CD2 4.39Å; L375-L625 HydrophobicContact CD1-CB 4.45Å
376K97.7Very high90.7Very high52 Ų5246.4 Ų46.423%0.22625%0.252CS..EExtended strand (participates in β ladder)trans-94.1113.6166.8-169.3175.9-179.51710109.9E410 V522 L524 D525K376-E410 CarbonylContact C-O 3.59Å; K376-E410 WeakPolarHBondContact CA-O 3.25Å; K376-E410 HydrophobicContact CB-CB 4.49Å; K376-E410 WeakPolarHBondContact CE-OE1 3.45Å; K376-E410 HydrophobicContact CG-CB 4.28Å; K376-E410 HydrophobicContact CG-CG 4.2Å; K376-E410 IonicContact NZ-OE1 3.42Å; K376-E410 PolarHBondContact NZ-OE1 3.46Å; K376-V522 WeakPolarHBondContact CE-O 3.41Å; K376-V522 PolarHBondContact NZ-O 3.12Å; K376-L524 HydrophobicContact CD-CD2 4.21Å; K376-L524 HydrophobicContact CG-CD2 3.89Å; K376-D525 PolarHBondContact N-OD2 3.2Å; K376-D525 PolarHBondContact O-N 3.45Å
377I97.9Very high90.4Very high0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-110.5119.5-168.5-57.3179.2000109L375 L404 H409 E410 V411 V412 V526 V528 L625L375-I377 HydrophobicContact CB-CG1 4.16Å; I377-L404 HydrophobicContact CD1-CB 4.49Å; I377-L404 HydrophobicContact CD1-CD1 3.85Å; I377-L404 HydrophobicContact CD1-CD2 4Å; I377-L404 HydrophobicContact CD1-CG 4.35Å; I377-L404 HydrophobicContact CG2-CD1 4.49Å; I377-H409 HydrophobicContact CD1-CB 3.71Å; I377-H409 HydrophobicContact CG1-CB 4.37Å; I377-E410 PolarHBondContact N-O 2.65Å; I377-V411 WeakPolarHBondContact O-CA 3.33Å; I377-V412 PolarHBondContact O-N 2.91Å; I377-V526 HydrophobicContact CB-CG2 4.35Å; I377-V526 HydrophobicContact CG1-CG2 3.82Å; I377-V526 HydrophobicContact CG2-CG2 4.27Å; I377-V528 HydrophobicContact CG2-CB 4.05Å; I377-V528 HydrophobicContact CG2-CG2 3.49Å; I377-V528 VanDerWaalsContact CG2-CG2 3.49Å; I377-L625 HydrophobicContact CD1-CD1 4.11Å; I377-L625 HydrophobicContact CD1-CD2 3.84Å; I377-L625 HydrophobicContact CG1-CD2 4.39Å
378G97.2Very high90Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-79.2133.5168.300000110.4V412 V526 L527 V528G378-V412 CarbonylContact C-O 3.56Å; G378-V412 VanDerWaalsContact CA-O 3.32Å; G378-V412 WeakPolarHBondContact CA-O 3.45Å; G378-V526 PolarHBondContact N-O 2.96Å; G378-L527 CarbonylContact O-C 3.48Å; G378-L527 VanDerWaalsContact O-CA 3.27Å; G378-L527 WeakPolarHBondContact O-CA 3.34Å; G378-V528 PolarHBondContact O-N 2.98Å
379F95.1Very high89.8Confident2 Ų246.4 Ų46.41%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-125.8133.4-174.1-158.9-85000110.4M397 I400 R401 V411 V412 D413 F414 V528F379-M397 HydrophobicContact CD2-CE 4.46Å; F379-M397 HydrophobicContact CE1-CB 3.97Å; F379-M397 HydrophobicContact CE1-CE 3.69Å; F379-M397 HydrophobicContact CE2-CE 3.58Å; F379-M397 HydrophobicContact CZ-CB 3.73Å; F379-M397 HydrophobicContact CZ-CE 3.13Å; F379-M397 HydrophobicContact CZ-CG 4.38Å; F379-M397 WeakPolarHBondContact CZ-O 3.33Å; F379-M397 HydrophobicContact CZ-SD 4.31Å; F379-I400 HydrophobicContact CE2-CG2 4.26Å; F379-R401 VanDerWaalsContact CD1-NH2 3.31Å; F379-R401 HydrophobicContact CE1-CB 4.49Å; F379-R401 HydrophobicContact CE2-CB 4.16Å; F379-R401 HydrophobicContact CZ-CB 4.09Å; F379-V411 HydrophobicContact CB-CG1 3.78Å; F379-V411 HydrophobicContact CD2-CG1 4.08Å; F379-V411 HydrophobicContact CG-CG1 4.15Å; F379-V412 PolarHBondContact N-O 3.43Å; F379-D413 WeakPolarHBondContact O-CA 3.46Å; F379-F414 PolarHBondContact O-N 3.31Å; F379-V528 HydrophobicContact CD2-CB 3.96Å; F379-V528 HydrophobicContact CD2-CG1 4.07Å; F379-V528 HydrophobicContact CE2-CB 4.2Å; F379-V528 HydrophobicContact CE2-CG1 3.78Å
380Y94.3Very high89.7Confident15 Ų1545.5 Ų45.56%0.05924%0.242CC..  trans-153.1145.6168.674-87.8000110.6F383 L416 V528 C529 P530 Y556Y380-F383 HydrophobicContact CE2-CE2 4.09Å; Y380-F383 HydrophobicContact CE2-CZ 4.06Å; Y380-L416 HydrophobicContact CD1-CD1 4.47Å; Y380-L416 HydrophobicContact CD1-CD2 4.14Å; Y380-L416 HydrophobicContact CD1-CG 4.35Å; Y380-L416 HydrophobicContact CD2-CD1 4.01Å; Y380-L416 HydrophobicContact CE1-CD1 4.12Å; Y380-L416 HydrophobicContact CE1-CD2 3.86Å; Y380-L416 HydrophobicContact CE1-CG 4.3Å; Y380-L416 HydrophobicContact CE2-CD1 3.65Å; Y380-L416 HydrophobicContact CE2-CG 4.48Å; Y380-L416 HydrophobicContact CG-CD1 4.42Å; Y380-L416 HydrophobicContact CG-CG 4.46Å; Y380-V528 PolarHBondContact N-O 3.2Å; Y380-C529 HydrophobicContact CD1-CB 4.03Å; Y380-C529 HydrophobicContact CD2-CB 4.22Å; Y380-C529 HydrophobicContact CE1-CB 3.49Å; Y380-C529 VanDerWaalsContact CE1-CB 3.49Å; Y380-C529 HydrophobicContact CE2-CB 3.68Å; Y380-C529 HydrophobicContact CG-CB 4.36Å; Y380-C529 WeakPolarHBondContact O-CA 3.43Å; Y380-C529 WeakPolarHBondContact O-CB 3.32Å; Y380-C529 PolarHBondContact OH-SG 2.94Å; Y380-C529 VanDerWaalsContact OH-SG 3.36Å; Y380-P530 WeakPolarHBondContact O-CD 3.39Å; Y380-Y556 WeakPolarHBondContact CE1-OH 3.21Å; Y380-Y556 VanDerWaalsContact CZ-OH 3.29Å; Y380-Y556 WeakPolarHBondContact OH-CE2 3.18Å; Y380-Y556 PolarHBondContact OH-OH 3.25Å
381S87.9Confident89.7Confident21 Ų2141 Ų4115%0.14722%0.223CC..  trans-110.7-25.8-179.2-600000113.1F552S381-F552 WeakPolarHBondContact O-CE1 3.05Å
382D85.9Confident89.9Confident54 Ų5440.4 Ų40.429%0.28922%0.218SC..  trans-126.2160.2-169.7-62.6-41.1000111K388 A389D382-K388 WeakPolarHBondContact OD1-CA 3.44Å; D382-A389 WeakPolarHBondContact OD1-CB 3.24Å; D382-A389 PolarHBondContact OD1-N 3.33Å
383F83.8Confident90.1Very high3 Ų334.8 Ų34.81%0.01319%0.187CC..BIsolated β-bridgetrans-107.8108.1169.1-78.4-86000108.7Y380 G385 L386 V387 L416 P419 L551 F552 L555Y380-F383 HydrophobicContact CE2-CE2 4.09Å; Y380-F383 HydrophobicContact CE2-CZ 4.06Å; F383-G385 PolarHBondContact O-N 3.43Å; F383-G385 VanDerWaalsContact O-N 3.11Å; F383-L386 HydrophobicContact CB-CB 4.04Å; F383-L386 HydrophobicContact CB-CD1 4.43Å; F383-L386 PolarHBondContact O-N 3.43Å; F383-V387 PolarHBondContact N-O 3.47Å; F383-V387 VanDerWaalsContact N-O 3.1Å; F383-V387 PolarHBondContact O-N 3.02Å; F383-L416 HydrophobicContact CD1-CD1 3.65Å; F383-L416 HydrophobicContact CE1-CD1 3.25Å; F383-L416 HydrophobicContact CZ-CD1 3.97Å; F383-P419 HydrophobicContact CD1-CB 3.29Å; F383-P419 HydrophobicContact CD1-CG 3.82Å; F383-P419 HydrophobicContact CE1-CB 3.69Å; F383-P419 HydrophobicContact CG-CB 4.44Å; F383-L551 HydrophobicContact CB-CD2 3.75Å; F383-L551 HydrophobicContact CD1-CD1 4.46Å; F383-L551 HydrophobicContact CD1-CD2 4.01Å; F383-L551 HydrophobicContact CD1-CG 4.12Å; F383-L551 HydrophobicContact CD2-CD2 3.59Å; F383-L551 HydrophobicContact CD2-CG 3.82Å; F383-L551 HydrophobicContact CE1-CD1 4.31Å; F383-L551 HydrophobicContact CE1-CD2 4.44Å; F383-L551 HydrophobicContact CE1-CG 4.05Å; F383-L551 HydrophobicContact CE2-CD2 4.11Å; F383-L551 HydrophobicContact CE2-CG 3.8Å; F383-L551 HydrophobicContact CG-CD2 3.51Å; F383-L551 HydrophobicContact CG-CG 3.97Å; F383-L551 HydrophobicContact CZ-CD2 4.5Å; F383-L551 HydrophobicContact CZ-CG 3.9Å; F383-F552 HydrophobicContact CD2-CD1 4.22Å; F383-F552 AromaticContact CD2-CD2 3.98Å; F383-F552 HydrophobicContact CD2-CD2 3.98Å; F383-F552 AromaticContact CD2-CE1 3.85Å; F383-F552 HydrophobicContact CD2-CE1 3.85Å; F383-F552 AromaticContact CD2-CE2 3.57Å; F383-F552 HydrophobicContact CD2-CE2 3.57Å; F383-F552 HydrophobicContact CD2-CG 4.3Å; F383-F552 AromaticContact CD2-CZ 3.52Å; F383-F552 HydrophobicContact CD2-CZ 3.52Å; F383-F552 HydrophobicContact CE2-CB 4.3Å; F383-F552 AromaticContact CE2-CD1 3.59Å; F383-F552 HydrophobicContact CE2-CD1 3.59Å; F383-F552 AromaticContact CE2-CD2 3.67Å; F383-F552 HydrophobicContact CE2-CD2 3.67Å; F383-F552 AromaticContact CE2-CE1 3.68Å; F383-F552 HydrophobicContact CE2-CE1 3.68Å; F383-F552 AromaticContact CE2-CE2 3.75Å; F383-F552 HydrophobicContact CE2-CE2 3.75Å; F383-F552 AromaticContact CE2-CG 3.6Å; F383-F552 HydrophobicContact CE2-CG 3.6Å; F383-F552 AromaticContact CE2-CZ 3.77Å; F383-F552 HydrophobicContact CE2-CZ 3.77Å; F383-L555 HydrophobicContact CE1-CD2 4.23Å; F383-L555 HydrophobicContact CZ-CD2 4.4Å
384D74.9Confident90.1Very high123 Ų12333.8 Ų33.866%0.65819%0.186SC*.THydrogen-bonded Turntrans-43.9115.8-174.7-65.6-25.4000112.4L386D384-L386 PolarHBondContact O-N 3.3Å; D384-L386 VanDerWaalsContact O-N 3.14Å
385G73.2Confident90.1Very high79 Ų7930.8 Ų30.881%0.81417%0.172SC*.THydrogen-bonded Turntrans72.4-6178.400000116.6F383 P486F383-G385 PolarHBondContact O-N 3.43Å; F383-G385 VanDerWaalsContact O-N 3.11Å; G385-P486 WeakPolarHBondContact O-CG 3.47Å
386L84.8Confident90.1Very high15 Ų1530.6 Ų30.68%0.07917%0.171CC..THydrogen-bonded Turntrans-100.2-54.4-179.1-65.7179.6000112.7F383 D384 P419 P486 V490 L551F383-L386 HydrophobicContact CB-CB 4.04Å; F383-L386 HydrophobicContact CB-CD1 4.43Å; F383-L386 PolarHBondContact O-N 3.43Å; D384-L386 PolarHBondContact O-N 3.3Å; D384-L386 VanDerWaalsContact O-N 3.14Å; L386-P419 HydrophobicContact CD1-CB 4.3Å; L386-P419 HydrophobicContact CD1-CG 4.2Å; L386-P486 HydrophobicContact CD2-CB 4Å; L386-P486 WeakPolarHBondContact O-CG 3.5Å; L386-V490 HydrophobicContact CD2-CG2 4.23Å; L386-L551 HydrophobicContact CB-CD2 4.07Å; L386-L551 HydrophobicContact CD1-CD1 4.38Å; L386-L551 HydrophobicContact CD1-CD2 3.87Å
387V88.2Confident89.9Confident6 Ų628.1 Ų28.14%0.03616%0.16CC..BIsolated β-bridgetrans-152.1130.6-173.1-175.70000109.4F383 A487 P533 C548 L551 F552 F596F383-V387 PolarHBondContact N-O 3.47Å; F383-V387 VanDerWaalsContact N-O 3.1Å; F383-V387 PolarHBondContact O-N 3.02Å; V387-A487 HydrophobicContact CG2-CB 4.07Å; V387-P533 HydrophobicContact CG1-CB 3.66Å; V387-P533 HydrophobicContact CG1-CG 3.9Å; V387-C548 HydrophobicContact CG1-CB 4.09Å; V387-C548 HydrophobicContact CG2-CB 3.73Å; V387-L551 HydrophobicContact CG2-CD2 4.08Å; V387-F552 HydrophobicContact CB-CE2 4.48Å; V387-F552 HydrophobicContact CG1-CE2 4.28Å; V387-F596 HydrophobicContact CG1-CE2 3.91Å; V387-F596 HydrophobicContact CG1-CZ 3.93Å
388K88.2Confident89.8Confident131 Ų13130.7 Ų30.757%0.5718%0.178SC*.PPolyproline II helixtrans-99.5135.5168.7-170174.7-178.4178.50109.7D382D382-K388 WeakPolarHBondContact OD1-CA 3.44Å
389A90.5Very high89.6Confident6 Ų634.8 Ų34.85%0.0520%0.198CC..PPolyproline II helixtrans-65.9152.2174.400000111.4D382 V393 Q394 P533D382-A389 WeakPolarHBondContact OD1-CB 3.24Å; D382-A389 PolarHBondContact OD1-N 3.33Å; A389-V393 HydrophobicContact CB-CB 4.1Å; A389-V393 HydrophobicContact CB-CG1 3.8Å; A389-Q394 HydrophobicContact CB-CG 4.15Å; A389-Q394 PolarHBondContact O-NE2 3.17Å; A389-P533 WeakPolarHBondContact CA-O 3.47Å
390S90.9Very high89.6Confident2 Ų234.8 Ų34.81%0.01420%0.198CC..PPolyproline II helixtrans-67.8158.7174.655.50000112S392 V393 Q394 P533S390-S392 VanDerWaalsContact C-N 3.29Å; S390-S392 PolarHBondContact O-N 3.2Å; S390-V393 PolarHBondContact O-N 3.49Å; S390-V393 VanDerWaalsContact O-N 3.12Å; S390-V393 VanDerWaalsContact OG-CG2 3.3Å; S390-V393 WeakPolarHBondContact OG-CG2 3.29Å; S390-Q394 PolarHBondContact O-N 2.74Å; S390-P533 WeakPolarHBondContact CB-O 3.46Å; S390-P533 PolarHBondContact N-O 2.94Å; S390-P533 PolarHBondContact OG-O 3.36Å
391P91.2Very high89.6Confident23 Ų2337.9 Ų37.915%0.14921%0.209CC..Hα-helixtrans-54.8-40.5178.9-26.736.3000113.5Q394 R395 A578 F579P391-Q394 PolarHBondContact O-N 2.88Å; P391-R395 WeakPolarHBondContact O-CB 3.35Å; P391-R395 PolarHBondContact O-N 3.24Å; P391-A578 HydrophobicContact CB-CB 4.35Å; P391-F579 VanDerWaalsContact CD-CD2 3.46Å; P391-F579 HydrophobicContact CG-CB 4.22Å; P391-F579 HydrophobicContact CG-CD2 3.86Å; P391-F579 HydrophobicContact CG-CG 4.47Å
392S93.6Very high89.9Confident0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-65.4-41.3177.760.30000112.5S390 R395 V396 D575 Y600S390-S392 VanDerWaalsContact C-N 3.29Å; S390-S392 PolarHBondContact O-N 3.2Å; S392-R395 PolarHBondContact O-N 2.62Å; S392-V396 WeakPolarHBondContact O-CB 3.32Å; S392-V396 WeakPolarHBondContact O-CG2 3.21Å; S392-V396 PolarHBondContact O-N 2.8Å; S392-D575 VanDerWaalsContact CB-CG 3.48Å; S392-D575 WeakPolarHBondContact CB-OD2 3.26Å; S392-Y600 WeakPolarHBondContact CB-OH 3.44Å; S392-Y600 PolarHBondContact N-OH 3.43Å; S392-Y600 PolarHBondContact OG-OH 3.16Å
393V94.2Very high90.3Very high2 Ų238.1 Ų38.11%0.01221%0.209CC..Hα-helixtrans-63.6-45.5174.6174.80000109.8A389 S390 R395 V396 M397 P530 I608A389-V393 HydrophobicContact CB-CB 4.1Å; A389-V393 HydrophobicContact CB-CG1 3.8Å; S390-V393 PolarHBondContact O-N 3.49Å; S390-V393 VanDerWaalsContact O-N 3.12Å; S390-V393 VanDerWaalsContact OG-CG2 3.3Å; S390-V393 WeakPolarHBondContact OG-CG2 3.29Å; V393-R395 VanDerWaalsContact C-N 3.34Å; V393-R395 PolarHBondContact O-N 3.02Å; V393-V396 PolarHBondContact O-N 2.82Å; V393-M397 HydrophobicContact CG1-CG 4.16Å; V393-M397 WeakPolarHBondContact O-CB 3.49Å; V393-M397 WeakPolarHBondContact O-CG 3.47Å; V393-M397 PolarHBondContact O-N 3.47Å; V393-P530 HydrophobicContact CG1-CB 3.62Å; V393-P530 HydrophobicContact CG1-CG 3.5Å; V393-P530 VanDerWaalsContact CG1-CG 3.5Å; V393-I608 HydrophobicContact CG2-CG2 4.02Å
394Q93.5Very high90.8Very high62 Ų6238 Ų3829%0.2921%0.209SC..Hα-helixtrans-60.3-42.6177.3-76169.33.300112.5A389 S390 P391 M397 S398A389-Q394 HydrophobicContact CB-CG 4.15Å; A389-Q394 PolarHBondContact O-NE2 3.17Å; S390-Q394 PolarHBondContact O-N 2.74Å; P391-Q394 PolarHBondContact O-N 2.88Å; Q394-M397 PolarHBondContact O-N 3.37Å; Q394-S398 WeakPolarHBondContact O-CB 3.46Å; Q394-S398 PolarHBondContact O-N 3.42Å
395R94.1Very high91.7Very high45 Ų4534.8 Ų34.817%0.1720%0.196CC..Hα-helixtrans-59.8-54.1175.4177179.458.786.3-6.3111.1P391 S392 V393 M397 S398 E399 R570 E572 D575P391-R395 WeakPolarHBondContact O-CB 3.35Å; P391-R395 PolarHBondContact O-N 3.24Å; S392-R395 PolarHBondContact O-N 2.62Å; V393-R395 VanDerWaalsContact C-N 3.34Å; V393-R395 PolarHBondContact O-N 3.02Å; R395-M397 VanDerWaalsContact C-N 3.29Å; R395-M397 PolarHBondContact O-N 2.89Å; R395-S398 WeakPolarHBondContact O-CA 3.44Å; R395-S398 WeakPolarHBondContact O-CB 3.37Å; R395-S398 PolarHBondContact O-N 3.07Å; R395-E399 VanDerWaalsContact CG-OE1 3.29Å; R395-E399 WeakPolarHBondContact CG-OE1 3.26Å; R395-E399 IonicContact CZ-OE1 3.8Å; R395-E399 IonicContact NH1-OE1 2.55Å; R395-E399 PolarHBondContact NH1-OE1 3.2Å; R395-E399 IonicContact NH1-OE2 3.53Å; R395-E399 WeakPolarHBondContact O-CG 3.46Å; R395-E399 PolarHBondContact O-N 3.48Å; R395-R570 PolarHBondContact NH2-O 2.8Å; R395-E572 IonicContact CZ-OE1 3.45Å; R395-E572 VanDerWaalsContact CZ-OE1 3.26Å; R395-E572 IonicContact CZ-OE2 2.85Å; R395-E572 IonicContact NH1-OE1 2.84Å; R395-E572 PolarHBondContact NH1-OE1 2.72Å; R395-E572 IonicContact NH2-OE1 3.64Å; R395-E572 PolarHBondContact NH2-OE1 3.44Å; R395-D575 IonicContact CZ-OD1 3.52Å; R395-D575 IonicContact CZ-OD2 3.38Å; R395-D575 IonicContact NE-OD1 3.86Å; R395-D575 PolarHBondContact NE-OD1 3.45Å; R395-D575 IonicContact NE-OD2 3.34Å; R395-D575 PolarHBondContact NE-OD2 2.93Å; R395-D575 IonicContact NH2-OD1 3.52Å; R395-D575 IonicContact NH2-OD2 2.63Å; R395-D575 PolarHBondContact NH2-OD2 2.87Å
396V94.5Very high92.7Very high1 Ų140 Ų401%0.00619%0.191CC..Hα-helixtrans-58.2-42.8178.4166.10000111.3S392 V393 S398 E399 I400 M568 I608 V610S392-V396 WeakPolarHBondContact O-CB 3.32Å; S392-V396 WeakPolarHBondContact O-CG2 3.21Å; S392-V396 PolarHBondContact O-N 2.8Å; V393-V396 PolarHBondContact O-N 2.82Å; V396-S398 VanDerWaalsContact C-N 3.33Å; V396-S398 PolarHBondContact O-N 3.12Å; V396-E399 PolarHBondContact O-N 3.29Å; V396-I400 HydrophobicContact CG1-CD1 3.77Å; V396-I400 WeakPolarHBondContact O-CD1 3.32Å; V396-I400 WeakPolarHBondContact O-CG1 3.44Å; V396-I400 PolarHBondContact O-N 3.17Å; V396-M568 HydrophobicContact CG1-CB 3.58Å; V396-M568 WeakPolarHBondContact CG1-O 3.21Å; V396-M568 WeakPolarHBondContact CG2-O 3.36Å; V396-I608 HydrophobicContact CB-CG2 4.02Å; V396-I608 HydrophobicContact CG1-CG2 3.94Å; V396-I608 HydrophobicContact CG2-CB 4.22Å; V396-I608 HydrophobicContact CG2-CD1 3.59Å; V396-I608 HydrophobicContact CG2-CG2 4.06Å; V396-V610 HydrophobicContact CG1-CG2 3.92Å
397M95Very high93.1Very high0 Ų040.5 Ų40.50%019%0.193CC..Hα-helixtrans-62.1-40.8175.8-70.3-48.4-68.500111.4F379 V393 Q394 R395 I400 R401 V528 P530 V610F379-M397 HydrophobicContact CD2-CE 4.46Å; F379-M397 HydrophobicContact CE1-CB 3.97Å; F379-M397 HydrophobicContact CE1-CE 3.69Å; F379-M397 HydrophobicContact CE2-CE 3.58Å; F379-M397 HydrophobicContact CZ-CB 3.73Å; F379-M397 HydrophobicContact CZ-CE 3.13Å; F379-M397 HydrophobicContact CZ-CG 4.38Å; F379-M397 WeakPolarHBondContact CZ-O 3.33Å; F379-M397 HydrophobicContact CZ-SD 4.31Å; V393-M397 HydrophobicContact CG1-CG 4.16Å; V393-M397 WeakPolarHBondContact O-CB 3.49Å; V393-M397 WeakPolarHBondContact O-CG 3.47Å; V393-M397 PolarHBondContact O-N 3.47Å; Q394-M397 PolarHBondContact O-N 3.37Å; R395-M397 VanDerWaalsContact C-N 3.29Å; R395-M397 PolarHBondContact O-N 2.89Å; M397-I400 PolarHBondContact O-N 3.03Å; M397-R401 PolarHBondContact O-N 3.12Å; M397-V528 HydrophobicContact CE-CG1 3.97Å; M397-P530 HydrophobicContact CE-CG 4.34Å; M397-P530 HydrophobicContact CG-CG 3.81Å; M397-P530 HydrophobicContact SD-CG 3.86Å; M397-V610 HydrophobicContact CE-CG1 4.32Å; M397-V610 HydrophobicContact SD-CB 4.47Å; M397-V610 HydrophobicContact SD-CG1 4Å; M397-V610 HydrophobicContact SD-CG2 3.72Å
398S94.4Very high93.3Very high54 Ų5442.3 Ų42.338%0.37821%0.212SC..Hα-helixtrans-62.3-46.4175.2-164.60000112Q394 R395 V396 I400 R401 D402Q394-S398 WeakPolarHBondContact O-CB 3.46Å; Q394-S398 PolarHBondContact O-N 3.42Å; R395-S398 WeakPolarHBondContact O-CA 3.44Å; R395-S398 WeakPolarHBondContact O-CB 3.37Å; R395-S398 PolarHBondContact O-N 3.07Å; V396-S398 VanDerWaalsContact C-N 3.33Å; V396-S398 PolarHBondContact O-N 3.12Å; S398-I400 PolarHBondContact O-N 3.26Å; S398-R401 PolarHBondContact O-N 3.03Å; S398-D402 PolarHBondContact O-N 2.88Å
399E94.1Very high93.6Very high87 Ų8736.5 Ų36.541%0.40719%0.187SC..Hα-helixtrans-58.4-38.6177.4-69.8169.3-16700111.7R395 V396 G403R395-E399 VanDerWaalsContact CG-OE1 3.29Å; R395-E399 WeakPolarHBondContact CG-OE1 3.26Å; R395-E399 IonicContact CZ-OE1 3.8Å; R395-E399 IonicContact NH1-OE1 2.55Å; R395-E399 PolarHBondContact NH1-OE1 3.2Å; R395-E399 IonicContact NH1-OE2 3.53Å; R395-E399 WeakPolarHBondContact O-CG 3.46Å; R395-E399 PolarHBondContact O-N 3.48Å; V396-E399 PolarHBondContact O-N 3.29Å; E399-G403 PolarHBondContact O-N 3.35Å
400I94.5Very high93.9Very high2 Ų241.1 Ų41.11%0.0121%0.208CC..Hα-helixtrans-70.4-44.1177.4-69.9168.2000111.8F379 V396 M397 S398 D402 G403 L404 V528 M568 V610 L629F379-I400 HydrophobicContact CE2-CG2 4.26Å; V396-I400 HydrophobicContact CG1-CD1 3.77Å; V396-I400 WeakPolarHBondContact O-CD1 3.32Å; V396-I400 WeakPolarHBondContact O-CG1 3.44Å; V396-I400 PolarHBondContact O-N 3.17Å; M397-I400 PolarHBondContact O-N 3.03Å; S398-I400 PolarHBondContact O-N 3.26Å; I400-D402 VanDerWaalsContact C-N 3.26Å; I400-D402 PolarHBondContact O-N 3.22Å; I400-G403 PolarHBondContact O-N 3.06Å; I400-L404 HydrophobicContact CG2-CD1 3.77Å; I400-L404 HydrophobicContact CG2-CG 4.18Å; I400-L404 WeakPolarHBondContact O-CB 3.49Å; I400-L404 VanDerWaalsContact O-CG 3.31Å; I400-L404 WeakPolarHBondContact O-CG 3.42Å; I400-L404 PolarHBondContact O-N 2.98Å; I400-V528 HydrophobicContact CG2-CG1 4.29Å; I400-M568 HydrophobicContact CD1-CB 3.74Å; I400-M568 HydrophobicContact CD1-CE 3.91Å; I400-M568 HydrophobicContact CD1-CG 3.6Å; I400-M568 HydrophobicContact CG1-CE 3.62Å; I400-M568 HydrophobicContact CG1-CG 4.39Å; I400-V610 HydrophobicContact CD1-CB 4.01Å; I400-V610 HydrophobicContact CD1-CG1 3.88Å; I400-V610 HydrophobicContact CD1-CG2 3.5Å; I400-V610 VanDerWaalsContact CD1-CG2 3.5Å; I400-L629 HydrophobicContact CG2-CD2 3.67Å
401R95Very high94.2Very high80 Ų8042.6 Ų42.630%0.30222%0.217SC..Hα-helixtrans-56-46.3175.3176-177.3-77.8156.8-9.4110.2F379 M397 S398 S405 V411 D413F379-R401 VanDerWaalsContact CD1-NH2 3.31Å; F379-R401 HydrophobicContact CE1-CB 4.49Å; F379-R401 HydrophobicContact CE2-CB 4.16Å; F379-R401 HydrophobicContact CZ-CB 4.09Å; M397-R401 PolarHBondContact O-N 3.12Å; S398-R401 PolarHBondContact O-N 3.03Å; R401-S405 WeakPolarHBondContact O-CB 3.41Å; R401-S405 PolarHBondContact O-N 3.29Å; R401-S405 PolarHBondContact O-OG 3.35Å; R401-V411 HydrophobicContact CG-CG1 4.04Å; R401-D413 IonicContact CZ-OD1 2.6Å; R401-D413 IonicContact NH2-OD1 4Å; R401-D413 PolarHBondContact NH2-OD1 3.07Å; R401-D413 IonicContact NH2-OD2 3.91Å
402D94.5Very high94.5Very high78 Ų7843.7 Ų43.742%0.41722%0.223SC..Hα-helixtrans-67.7-41.3178.3-65.6-18.9000111.9S398 I400 S405 R406S398-D402 PolarHBondContact O-N 2.88Å; I400-D402 VanDerWaalsContact C-N 3.26Å; I400-D402 PolarHBondContact O-N 3.22Å; D402-S405 PolarHBondContact O-N 3.44Å; D402-R406 WeakPolarHBondContact O-CB 3.42Å; D402-R406 WeakPolarHBondContact O-CG 3.17Å; D402-R406 PolarHBondContact O-N 2.75Å; D402-R406 PolarHBondContact O-NE 2.98Å
403G94Very high94.5Very high2 Ų249.2 Ų49.22%0.02125%0.252CS..Hα-helixtrans-62.8-44.1177.700000112.7E399 I400 R406 Q407E399-G403 PolarHBondContact O-N 3.35Å; I400-G403 PolarHBondContact O-N 3.06Å; G403-R406 PolarHBondContact O-N 3.43Å; G403-Q407 VanDerWaalsContact O-CG 3.27Å; G403-Q407 WeakPolarHBondContact O-CG 3.34Å; G403-Q407 PolarHBondContact O-N 3.16Å; G403-Q407 VanDerWaalsContact O-N 3.14Å
404L94.5Very high94.5Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-66.4-41.2175.8-73173.5000112.1I377 I400 Q407 G408 H409 V411 V528 L625 L629 I632I377-L404 HydrophobicContact CD1-CB 4.49Å; I377-L404 HydrophobicContact CD1-CD1 3.85Å; I377-L404 HydrophobicContact CD1-CD2 4Å; I377-L404 HydrophobicContact CD1-CG 4.35Å; I377-L404 HydrophobicContact CG2-CD1 4.49Å; I400-L404 HydrophobicContact CG2-CD1 3.77Å; I400-L404 HydrophobicContact CG2-CG 4.18Å; I400-L404 WeakPolarHBondContact O-CB 3.49Å; I400-L404 VanDerWaalsContact O-CG 3.31Å; I400-L404 WeakPolarHBondContact O-CG 3.42Å; I400-L404 PolarHBondContact O-N 2.98Å; L404-Q407 PolarHBondContact O-N 3Å; L404-G408 PolarHBondContact O-N 2.82Å; L404-H409 PolarHBondContact O-CD2 3.49Å; L404-H409 PolarHBondContact O-N 3.3Å; L404-H409 VanDerWaalsContact O-N 3.16Å; L404-V411 HydrophobicContact CB-CG2 3.92Å; L404-V528 HydrophobicContact CD1-CG2 4.37Å; L404-L625 HydrophobicContact CD2-CD1 3.76Å; L404-L629 HydrophobicContact CD1-CD2 4.01Å; L404-L629 HydrophobicContact CD2-CD2 3.58Å; L404-L629 HydrophobicContact CD2-CG 4.37Å; L404-L629 HydrophobicContact CG-CD2 3.79Å; L404-I632 HydrophobicContact CD2-CD1 4.41Å; L404-I632 HydrophobicContact CG-CD1 4.49Å
405S94Very high94.5Very high56 Ų5650 Ų5039%0.39227%0.267SS..Hα-helixtrans-64.3-42.2176.9-56.90000111.2R401 D402 Q407 G408R401-S405 WeakPolarHBondContact O-CB 3.41Å; R401-S405 PolarHBondContact O-N 3.29Å; R401-S405 PolarHBondContact O-OG 3.35Å; D402-S405 PolarHBondContact O-N 3.44Å; S405-Q407 PolarHBondContact O-N 3.31Å; S405-G408 PolarHBondContact O-N 3.38Å
406R93.4Very high94.4Very high187 Ų18748.6 Ų48.671%0.70626%0.264SS*.Hα-helixtrans-60.9-30.6173.5-83.8179.5-94.4141.5-8.2113.2D402 G403 G408D402-R406 WeakPolarHBondContact O-CB 3.42Å; D402-R406 WeakPolarHBondContact O-CG 3.17Å; D402-R406 PolarHBondContact O-N 2.75Å; D402-R406 PolarHBondContact O-NE 2.98Å; G403-R406 PolarHBondContact O-N 3.43Å; R406-G408 PolarHBondContact O-N 3.24Å
407Q92Very high94.3Very high27 Ų2749.3 Ų49.313%0.12627%0.268CS..THydrogen-bonded Turntrans-79.4-1.6175.1-69177.8-1.300113.5K374 G403 L404 S405 R628K374-Q407 VanDerWaalsContact CE-O 3.28Å; K374-Q407 WeakPolarHBondContact CE-O 3.4Å; K374-Q407 PolarHBondContact NZ-O 2.89Å; G403-Q407 VanDerWaalsContact O-CG 3.27Å; G403-Q407 WeakPolarHBondContact O-CG 3.34Å; G403-Q407 PolarHBondContact O-N 3.16Å; G403-Q407 VanDerWaalsContact O-N 3.14Å; L404-Q407 PolarHBondContact O-N 3Å; S405-Q407 PolarHBondContact O-N 3.31Å; Q407-R628 VanDerWaalsContact NE2-CZ 3.33Å; Q407-R628 VanDerWaalsContact NE2-NE 3.18Å; Q407-R628 VanDerWaalsContact OE1-NE 3.09Å
408G93.3Very high94.1Very high43 Ų4352.6 Ų52.644%0.44329%0.288SS..THydrogen-bonded Turntrans86.316.2176.700000114.6K374 L404 S405 R406K374-G408 WeakPolarHBondContact CG-O 3.03Å; L404-G408 PolarHBondContact O-N 2.82Å; S405-G408 PolarHBondContact O-N 3.38Å; R406-G408 PolarHBondContact O-N 3.24Å
409H95.5Very high93.9Very high9 Ų950.7 Ų50.74%0.04228%0.275CS..  trans-78.9146170.8-62.6-85000110.3L375 I377 L404 V411L375-H409 PolarHBondContact N-ND1 3.43Å; L375-H409 VanDerWaalsContact N-ND1 3.15Å; I377-H409 HydrophobicContact CD1-CB 3.71Å; I377-H409 HydrophobicContact CG1-CB 4.37Å; L404-H409 PolarHBondContact O-CD2 3.49Å; L404-H409 PolarHBondContact O-N 3.3Å; L404-H409 VanDerWaalsContact O-N 3.16Å; H409-V411 PolarHBondContact O-N 2.95Å
410E96.8Very high93.8Very high104 Ų10448.5 Ų48.549%0.48627%0.269SS..EExtended strand (participates in β ladder)trans-83.3111.7172.7-176-169.8158.200108.1L375 K376 I377 V412L375-E410 PolarHBondContact O-N 3.03Å; K376-E410 CarbonylContact C-O 3.59Å; K376-E410 WeakPolarHBondContact CA-O 3.25Å; K376-E410 HydrophobicContact CB-CB 4.49Å; K376-E410 WeakPolarHBondContact CE-OE1 3.45Å; K376-E410 HydrophobicContact CG-CB 4.28Å; K376-E410 HydrophobicContact CG-CG 4.2Å; K376-E410 IonicContact NZ-OE1 3.42Å; K376-E410 PolarHBondContact NZ-OE1 3.46Å; I377-E410 PolarHBondContact N-O 2.65Å; E410-V412 HydrophobicContact CG-CG2 4.05Å
411V96.5Very high93.9Very high33 Ų3352.4 Ų52.420%0.228%0.283CS..EExtended strand (participates in β ladder)trans-104.2122.2179.6-171.20000109.5I377 F379 R401 L404 H409I377-V411 WeakPolarHBondContact O-CA 3.33Å; F379-V411 HydrophobicContact CB-CG1 3.78Å; F379-V411 HydrophobicContact CD2-CG1 4.08Å; F379-V411 HydrophobicContact CG-CG1 4.15Å; R401-V411 HydrophobicContact CG-CG1 4.04Å; L404-V411 HydrophobicContact CB-CG2 3.92Å; H409-V411 PolarHBondContact O-N 2.95Å
412V96.3Very high93.8Very high45 Ų4548.7 Ų48.727%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-126.4139.6-176.5-177.50000109.6I377 G378 F379 E410 F414 L524I377-V412 PolarHBondContact O-N 2.91Å; G378-V412 CarbonylContact C-O 3.56Å; G378-V412 VanDerWaalsContact CA-O 3.32Å; G378-V412 WeakPolarHBondContact CA-O 3.45Å; F379-V412 PolarHBondContact N-O 3.43Å; E410-V412 HydrophobicContact CG-CG2 4.05Å; V412-F414 PolarHBondContact O-N 2.83Å; V412-L524 HydrophobicContact CB-CD2 4.43Å
413D95.3Very high93.9Very high116 Ų11645 Ų4562%0.6225%0.25SS*.EExtended strand (participates in β ladder)trans-69.6129.9174.4-68.7-24.7000110.9F379 R401F379-D413 WeakPolarHBondContact O-CA 3.46Å; R401-D413 IonicContact CZ-OD1 2.6Å; R401-D413 IonicContact NH2-OD1 4Å; R401-D413 PolarHBondContact NH2-OD1 3.07Å; R401-D413 IonicContact NH2-OD2 3.91Å
414F94.3Very high94Very high11 Ų1147.7 Ų47.75%0.04826%0.262CS..  trans-116.5110.3-177.5-174.2-113.4000111.3F379 V412 L416 F515 L518 W519 V522 L524 L527F379-F414 PolarHBondContact O-N 3.31Å; V412-F414 PolarHBondContact O-N 2.83Å; F414-L416 HydrophobicContact CD1-CD2 3.76Å; F414-L416 HydrophobicContact CE1-CD2 3.72Å; F414-F515 HydrophobicContact CE1-CE1 4.41Å; F414-F515 HydrophobicContact CE1-CZ 4.03Å; F414-L518 HydrophobicContact CE2-CD2 4.08Å; F414-L518 HydrophobicContact CE2-CG 3.96Å; F414-L518 HydrophobicContact CZ-CD2 4.04Å; F414-L518 HydrophobicContact CZ-CG 4.19Å; F414-W519 HydrophobicContact CZ-CB 4.49Å; F414-V522 HydrophobicContact CD2-CG2 4.46Å; F414-V522 HydrophobicContact CE2-CG2 4.29Å; F414-L524 HydrophobicContact CB-CD1 4.1Å; F414-L524 HydrophobicContact CD1-CD1 4.48Å; F414-L524 HydrophobicContact CD2-CD1 3.33Å; F414-L524 HydrophobicContact CE2-CD1 3.78Å; F414-L524 HydrophobicContact CG-CD1 3.73Å; F414-L527 HydrophobicContact CB-CD2 4.19Å; F414-L527 HydrophobicContact CD1-CD1 4.13Å; F414-L527 HydrophobicContact CD1-CD2 3.53Å; F414-L527 HydrophobicContact CD1-CG 4.49Å; F414-L527 HydrophobicContact CE1-CD1 4.03Å; F414-L527 HydrophobicContact CE1-CD2 4.02Å; F414-L527 HydrophobicContact CG-CD2 3.89Å
415A92.4Very high94.1Very high69 Ų6948 Ų4857%0.5726%0.263SS*.  trans-79.3121.7174.100000110.5
416L92.6Very high94.2Very high17 Ų1745.3 Ų45.39%0.08925%0.245CC..  trans-75.3135.6-178.9-60.9175.4000111.1Y380 F383 F414 T418 F515 L555Y380-L416 HydrophobicContact CD1-CD1 4.47Å; Y380-L416 HydrophobicContact CD1-CD2 4.14Å; Y380-L416 HydrophobicContact CD1-CG 4.35Å; Y380-L416 HydrophobicContact CD2-CD1 4.01Å; Y380-L416 HydrophobicContact CE1-CD1 4.12Å; Y380-L416 HydrophobicContact CE1-CD2 3.86Å; Y380-L416 HydrophobicContact CE1-CG 4.3Å; Y380-L416 HydrophobicContact CE2-CD1 3.65Å; Y380-L416 HydrophobicContact CE2-CG 4.48Å; Y380-L416 HydrophobicContact CG-CD1 4.42Å; Y380-L416 HydrophobicContact CG-CG 4.46Å; F383-L416 HydrophobicContact CD1-CD1 3.65Å; F383-L416 HydrophobicContact CE1-CD1 3.25Å; F383-L416 HydrophobicContact CZ-CD1 3.97Å; F414-L416 HydrophobicContact CD1-CD2 3.76Å; F414-L416 HydrophobicContact CE1-CD2 3.72Å; L416-T418 PolarHBondContact O-N 2.93Å; L416-T418 VanDerWaalsContact O-N 3.12Å; L416-F515 HydrophobicContact CD2-CE2 3.77Å; L416-F515 HydrophobicContact CD2-CZ 3.8Å; L416-L555 HydrophobicContact CD1-CD2 4.08Å; L416-L555 HydrophobicContact CD2-CD2 4.39Å
417P91Very high94.3Very high16 Ų1636.5 Ų36.510%0.10421%0.212CC..SBendtrans-71.9113.2176.727.1-27.8000109.1Y511 E514 F515 L518P417-Y511 WeakPolarHBondContact O-CE2 3.48Å; P417-Y511 VanDerWaalsContact O-CZ 3.31Å; P417-Y511 PolarHBondContact O-OH 3.38Å; P417-E514 HydrophobicContact CB-CG 4.29Å; P417-F515 HydrophobicContact CG-CB 4.18Å; P417-F515 HydrophobicContact CG-CD2 3.53Å; P417-F515 HydrophobicContact CG-CE2 4.21Å; P417-F515 HydrophobicContact CG-CG 4.14Å; P417-L518 HydrophobicContact CB-CD2 4.32Å; P417-L518 HydrophobicContact CG-CD2 4.15Å
418T91Very high94.5Very high69 Ų6935.3 Ų35.342%0.42321%0.207SC..  trans38.569.4173.5-44.30000114.4L416 S420 R421 A422L416-T418 PolarHBondContact O-N 2.93Å; L416-T418 VanDerWaalsContact O-N 3.12Å; T418-S420 PolarHBondContact O-N 3.35Å; T418-R421 HydrophobicContact CG2-CB 3.61Å; T418-R421 WeakPolarHBondContact O-CB 3.29Å; T418-R421 PolarHBondContact O-N 3.18Å; T418-R421 VanDerWaalsContact O-N 3.09Å; T418-A422 PolarHBondContact O-N 3.08Å
419P90.8Very high94.6Very high14 Ų1433.3 Ų33.39%0.09119%0.186CC..Hα-helixtrans-62.8-28.5-175.523.9-34.5000114F383 L386 R421 A422 Y423F383-P419 HydrophobicContact CD1-CB 3.29Å; F383-P419 HydrophobicContact CD1-CG 3.82Å; F383-P419 HydrophobicContact CE1-CB 3.69Å; F383-P419 HydrophobicContact CG-CB 4.44Å; L386-P419 HydrophobicContact CD1-CB 4.3Å; L386-P419 HydrophobicContact CD1-CG 4.2Å; P419-R421 VanDerWaalsContact C-N 3.29Å; P419-R421 PolarHBondContact O-N 2.79Å; P419-A422 WeakPolarHBondContact O-CB 3.29Å; P419-A422 PolarHBondContact O-N 3.04Å; P419-Y423 PolarHBondContact O-N 3.42Å
420S93.1Very high94.5Very high40 Ų4033 Ų3328%0.2818%0.184SC..Hα-helixtrans-59.3-40.5175.156.10000112T418 Y423 Q424 V490T418-S420 PolarHBondContact O-N 3.35Å; S420-Y423 PolarHBondContact O-N 3.39Å; S420-Q424 WeakPolarHBondContact O-CB 3.48Å; S420-Q424 PolarHBondContact O-N 3.48Å; S420-V490 WeakPolarHBondContact O-CG1 3.46Å
421R94.8Very high94.3Very high84 Ų8428.2 Ų28.232%0.31716%0.163SC..Hα-helixtrans-66.7-45.1177.9-175.9-179-177.5-165.61.3110.9T418 P419 Y423 Q424 L425 E514T418-R421 HydrophobicContact CG2-CB 3.61Å; T418-R421 WeakPolarHBondContact O-CB 3.29Å; T418-R421 PolarHBondContact O-N 3.18Å; T418-R421 VanDerWaalsContact O-N 3.09Å; P419-R421 VanDerWaalsContact C-N 3.29Å; P419-R421 PolarHBondContact O-N 2.79Å; R421-Y423 VanDerWaalsContact C-N 3.28Å; R421-Y423 PolarHBondContact O-N 3.36Å; R421-Q424 PolarHBondContact O-N 3.18Å; R421-L425 HydrophobicContact CG-CD1 4.07Å; R421-L425 HydrophobicContact CG-CG 4.44Å; R421-L425 WeakPolarHBondContact O-CB 3.28Å; R421-L425 WeakPolarHBondContact O-CG 3.26Å; R421-L425 PolarHBondContact O-N 2.95Å; R421-E514 IonicContact NH1-OE2 2.65Å; R421-E514 PolarHBondContact NH1-OE2 3.36Å
422A94.9Very high94.1Very high2 Ų228 Ų282%0.01716%0.163CC..Hα-helixtrans-54.9-48.9175.700000110.8T418 P419 L425 T426 Y511 L555 L558T418-A422 PolarHBondContact O-N 3.08Å; P419-A422 WeakPolarHBondContact O-CB 3.29Å; P419-A422 PolarHBondContact O-N 3.04Å; A422-L425 PolarHBondContact O-N 3.18Å; A422-T426 PolarHBondContact O-N 3.35Å; A422-T426 PolarHBondContact O-OG1 2.91Å; A422-T426 VanDerWaalsContact O-OG1 3.05Å; A422-Y511 HydrophobicContact CB-CD1 4.18Å; A422-Y511 HydrophobicContact CB-CE1 3.41Å; A422-Y511 VanDerWaalsContact CB-CE1 3.41Å; A422-Y511 HydrophobicContact CB-CE2 4.18Å; A422-Y511 VanDerWaalsContact CB-CZ 3.43Å; A422-Y511 WeakPolarHBondContact CB-OH 3.46Å; A422-L555 HydrophobicContact CB-CD1 3.63Å; A422-L558 HydrophobicContact CB-CD2 4.38Å
423Y95.7Very high93.8Very high2 Ų227.7 Ų27.71%0.00816%0.157CC..Hα-helixtrans-66.2-42.7-177.4-169.7-144.8000112.4P419 S420 R421 L425 T426 I427 V490 V491 N547 L551 C554P419-Y423 PolarHBondContact O-N 3.42Å; S420-Y423 PolarHBondContact O-N 3.39Å; R421-Y423 VanDerWaalsContact C-N 3.28Å; R421-Y423 PolarHBondContact O-N 3.36Å; Y423-L425 VanDerWaalsContact C-N 3.31Å; Y423-L425 PolarHBondContact O-N 2.83Å; Y423-T426 PolarHBondContact O-N 3.29Å; Y423-I427 HydrophobicContact CD2-CG1 4.12Å; Y423-I427 HydrophobicContact CE2-CD1 3.91Å; Y423-I427 HydrophobicContact CE2-CG1 3.89Å; Y423-I427 WeakPolarHBondContact O-CG1 3.16Å; Y423-I427 PolarHBondContact O-N 3.01Å; Y423-V490 HydrophobicContact CD1-CB 4.24Å; Y423-V490 HydrophobicContact CD1-CG1 3.74Å; Y423-V490 HydrophobicContact CG-CG1 4.16Å; Y423-V491 HydrophobicContact CD1-CG2 4.22Å; Y423-V491 HydrophobicContact CE1-CG2 3.3Å; Y423-V491 HydrophobicContact CE2-CG2 4.43Å; Y423-V491 VanDerWaalsContact CZ-CG2 3.42Å; Y423-V491 VanDerWaalsContact OH-CG2 3.24Å; Y423-V491 WeakPolarHBondContact OH-CG2 3.45Å; Y423-N547 WeakPolarHBondContact OH-CA 3.13Å; Y423-N547 PolarHBondContact OH-O 3.42Å; Y423-L551 HydrophobicContact CD1-CD1 3.82Å; Y423-L551 HydrophobicContact CD2-CD1 4.17Å; Y423-L551 HydrophobicContact CG-CD1 3.6Å; Y423-C554 WeakPolarHBondContact CD2-SG 3.46Å
424Q96.3Very high93.5Very high58 Ų5822.6 Ų22.627%0.27113%0.129SC..Hα-helixtrans-57.1-45.5173.6-168-179.7-6.600111.4S420 R421 I427 S428 V490 R493S420-Q424 WeakPolarHBondContact O-CB 3.48Å; S420-Q424 PolarHBondContact O-N 3.48Å; R421-Q424 PolarHBondContact O-N 3.18Å; Q424-I427 PolarHBondContact O-N 3.31Å; Q424-S428 VanDerWaalsContact O-CB 3.29Å; Q424-S428 WeakPolarHBondContact O-CB 3.48Å; Q424-S428 PolarHBondContact O-N 3.37Å; Q424-S428 PolarHBondContact O-OG 3.15Å; Q424-V490 HydrophobicContact CB-CG1 3.86Å; Q424-R493 HydrophobicContact CG-CB 4.34Å
425L96.8Very high93.2Very high5 Ų523.3 Ų23.33%0.02613%0.133CC..Hα-helixtrans-64.3-43-179-70.1172.6000111.7R421 A422 Y423 S428 L429 L504 Q507 I508 Y511 L558R421-L425 HydrophobicContact CG-CD1 4.07Å; R421-L425 HydrophobicContact CG-CG 4.44Å; R421-L425 WeakPolarHBondContact O-CB 3.28Å; R421-L425 WeakPolarHBondContact O-CG 3.26Å; R421-L425 PolarHBondContact O-N 2.95Å; A422-L425 PolarHBondContact O-N 3.18Å; Y423-L425 VanDerWaalsContact C-N 3.31Å; Y423-L425 PolarHBondContact O-N 2.83Å; L425-S428 PolarHBondContact O-N 3.39Å; L425-L429 WeakPolarHBondContact O-CB 3.27Å; L425-L429 PolarHBondContact O-N 2.91Å; L425-L504 HydrophobicContact CD2-CD1 3.57Å; L425-Q507 HydrophobicContact CD1-CB 4.5Å; L425-Q507 HydrophobicContact CD2-CB 3.76Å; L425-I508 HydrophobicContact CB-CG1 3.9Å; L425-I508 HydrophobicContact CD1-CG1 4.23Å; L425-I508 HydrophobicContact CD2-CG1 4.28Å; L425-I508 HydrophobicContact CG-CG1 4.37Å; L425-Y511 HydrophobicContact CD1-CG 4.39Å; L425-L558 HydrophobicContact CB-CD2 4.44Å
426T96.5Very high93Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-59.1-50.5175.9-55.50000111.5L285 L322 A422 Y423 S428 L429 L430 C554 L558L285-T426 HydrophobicContact CD2-CG2 3.82Å; L322-T426 HydrophobicContact CD1-CG2 4.22Å; L322-T426 HydrophobicContact CD2-CG2 3.95Å; A422-T426 PolarHBondContact O-N 3.35Å; A422-T426 PolarHBondContact O-OG1 2.91Å; A422-T426 VanDerWaalsContact O-OG1 3.05Å; Y423-T426 PolarHBondContact O-N 3.29Å; T426-S428 VanDerWaalsContact C-N 3.35Å; T426-S428 PolarHBondContact O-N 3.25Å; T426-L429 PolarHBondContact O-N 3.28Å; T426-L430 WeakPolarHBondContact O-CB 3.4Å; T426-L430 PolarHBondContact O-N 2.9Å; T426-C554 HydrophobicContact CG2-CB 4.14Å; T426-L558 WeakPolarHBondContact OG1-CB 3.31Å; T426-L558 WeakPolarHBondContact OG1-CD2 3.42Å
427I95.8Very high92.8Very high2 Ų223.6 Ų23.61%0.0113%0.127CC..Hα-helixtrans-64.5-41.4179.7-62.7-62.6000111.1L241 Y423 Q424 L429 L430 A431 V491 L495L241-I427 HydrophobicContact CD2-CD1 3.96Å; Y423-I427 HydrophobicContact CD2-CG1 4.12Å; Y423-I427 HydrophobicContact CE2-CD1 3.91Å; Y423-I427 HydrophobicContact CE2-CG1 3.89Å; Y423-I427 WeakPolarHBondContact O-CG1 3.16Å; Y423-I427 PolarHBondContact O-N 3.01Å; Q424-I427 PolarHBondContact O-N 3.31Å; I427-L429 VanDerWaalsContact C-N 3.31Å; I427-L429 PolarHBondContact O-N 2.87Å; I427-L430 PolarHBondContact O-N 3.47Å; I427-A431 WeakPolarHBondContact O-CB 3.37Å; I427-A431 PolarHBondContact O-N 3.14Å; I427-V491 HydrophobicContact CG1-CG2 4.21Å; I427-V491 HydrophobicContact CG2-CG1 4.18Å; I427-L495 HydrophobicContact CG2-CD2 3.89Å; I427-L495 HydrophobicContact CG2-CG 4Å
428S95.8Very high92.6Very high3 Ų322.9 Ų22.92%0.02112%0.122CC..Hα-helixtrans-60-43.1176.6-56.10000111.4Q424 L425 T426 S432 G494 Y497Q424-S428 VanDerWaalsContact O-CB 3.29Å; Q424-S428 WeakPolarHBondContact O-CB 3.48Å; Q424-S428 PolarHBondContact O-N 3.37Å; Q424-S428 PolarHBondContact O-OG 3.15Å; L425-S428 PolarHBondContact O-N 3.39Å; T426-S428 VanDerWaalsContact C-N 3.35Å; T426-S428 PolarHBondContact O-N 3.25Å; S428-S432 WeakPolarHBondContact O-CB 3.42Å; S428-S432 PolarHBondContact O-N 2.99Å; S428-G494 WeakPolarHBondContact CA-O 3.33Å; S428-G494 VanDerWaalsContact OG-CA 3.31Å; S428-G494 WeakPolarHBondContact OG-CA 3.3Å; S428-G494 PolarHBondContact OG-O 3.35Å; S428-Y497 WeakPolarHBondContact OG-CB 3.21Å
429L95.2Very high92.4Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-65.5-50.7-179.1177.963.1000110.1P319 N321 L322 L425 T426 I427 A431 S432 Y433 L504 I508P319-L429 HydrophobicContact CB-CD1 3.99Å; P319-L429 HydrophobicContact CB-CD2 4.04Å; P319-L429 HydrophobicContact CB-CG 3.82Å; P319-L429 HydrophobicContact CG-CD2 4.33Å; P319-L429 HydrophobicContact CG-CG 4.09Å; N321-L429 HydrophobicContact CB-CD2 3.91Å; L322-L429 HydrophobicContact CB-CD2 3.78Å; L425-L429 WeakPolarHBondContact O-CB 3.27Å; L425-L429 PolarHBondContact O-N 2.91Å; T426-L429 PolarHBondContact O-N 3.28Å; I427-L429 VanDerWaalsContact C-N 3.31Å; I427-L429 PolarHBondContact O-N 2.87Å; L429-A431 PolarHBondContact O-N 3.31Å; L429-S432 PolarHBondContact O-N 3.04Å; L429-S432 PolarHBondContact O-OG 2.98Å; L429-Y433 HydrophobicContact CD1-CD2 4.46Å; L429-Y433 HydrophobicContact CD1-CE2 4.06Å; L429-L504 HydrophobicContact CB-CD2 4.14Å; L429-L504 HydrophobicContact CD1-CD2 4.41Å; L429-I508 HydrophobicContact CB-CD1 4.02Å; L429-I508 HydrophobicContact CD1-CD1 4.42Å; L429-I508 HydrophobicContact CD2-CD1 3.82Å; L429-I508 HydrophobicContact CG-CD1 4.3Å
430L93.7Very high92.2Very high3 Ų324.1 Ų24.12%0.01612%0.122CC..Hα-helixtrans-59.5-47.9178.8-17865.5000111.7I240 L241 I284 L285 L318 L322 T426 I427 S432 Y433 M434I240-L430 HydrophobicContact CG2-CD2 3.97Å; L241-L430 HydrophobicContact CD2-CD2 3.99Å; I284-L430 HydrophobicContact CD1-CD1 4.13Å; L285-L430 HydrophobicContact CD1-CD2 3.83Å; L285-L430 HydrophobicContact CD2-CD2 4.49Å; L318-L430 HydrophobicContact CD2-CD1 4.42Å; L322-L430 HydrophobicContact CD2-CB 4.44Å; T426-L430 WeakPolarHBondContact O-CB 3.4Å; T426-L430 PolarHBondContact O-N 2.9Å; I427-L430 PolarHBondContact O-N 3.47Å; L430-S432 VanDerWaalsContact C-N 3.26Å; L430-S432 PolarHBondContact O-N 3.45Å; L430-Y433 PolarHBondContact O-N 2.77Å; L430-Y433 VanDerWaalsContact O-N 3.16Å; L430-M434 HydrophobicContact CD1-CG 3.9Å; L430-M434 HydrophobicContact CD1-SD 3.8Å; L430-M434 HydrophobicContact CD2-SD 3.84Å; L430-M434 HydrophobicContact CG-CG 3.99Å; L430-M434 HydrophobicContact CG-SD 3.5Å; L430-M434 VanDerWaalsContact CG-SD 3.5Å; L430-M434 WeakPolarHBondContact O-CB 2.85Å; L430-M434 WeakPolarHBondContact O-CG 3.32Å; L430-M434 PolarHBondContact O-N 2.83Å
431A92.4Very high91.9Very high4 Ų423 Ų233%0.03311%0.113CC..Hα-helixtrans-59.2-37.4178.200000112.2I427 L429 Y433 M434 E435 Y463 L495I427-A431 WeakPolarHBondContact O-CB 3.37Å; I427-A431 PolarHBondContact O-N 3.14Å; L429-A431 PolarHBondContact O-N 3.31Å; A431-Y433 PolarHBondContact O-N 3.43Å; A431-Y433 VanDerWaalsContact O-N 3.17Å; A431-M434 PolarHBondContact O-N 3.13Å; A431-E435 WeakPolarHBondContact O-CB 3.46Å; A431-E435 PolarHBondContact O-N 3.14Å; A431-Y463 HydrophobicContact CB-CE1 4.41Å; A431-L495 HydrophobicContact CB-CD2 4.01Å
432S92.1Very high91.4Very high28 Ų2819 Ų1920%0.19610%0.098CC..Hα-helixtrans-65.5-16.2-179.781.20000115S428 L429 L430 R501S428-S432 WeakPolarHBondContact O-CB 3.42Å; S428-S432 PolarHBondContact O-N 2.99Å; L429-S432 PolarHBondContact O-N 3.04Å; L429-S432 PolarHBondContact O-OG 2.98Å; L430-S432 VanDerWaalsContact C-N 3.26Å; L430-S432 PolarHBondContact O-N 3.45Å; S432-R501 PolarHBondContact O-NH2 2.68Å
433Y90.4Very high90.6Very high38 Ų3821.4 Ų21.415%0.14911%0.107CC..Hα-helixtrans-103.9-45173.2-78.7-98.7000111.2P319 L429 L430 A431 E435 P436 E437P319-Y433 HydrophobicContact CB-CD2 3.65Å; P319-Y433 HydrophobicContact CB-CE2 3.57Å; P319-Y433 HydrophobicContact CB-CG 4.23Å; P319-Y433 HydrophobicContact CG-CD2 4.27Å; L429-Y433 HydrophobicContact CD1-CD2 4.46Å; L429-Y433 HydrophobicContact CD1-CE2 4.06Å; L430-Y433 PolarHBondContact O-N 2.77Å; L430-Y433 VanDerWaalsContact O-N 3.16Å; A431-Y433 PolarHBondContact O-N 3.43Å; A431-Y433 VanDerWaalsContact O-N 3.17Å; Y433-E435 VanDerWaalsContact C-N 3.32Å; Y433-E435 PolarHBondContact O-N 3.31Å; Y433-P436 VanDerWaalsContact O-CD 3.28Å; Y433-P436 WeakPolarHBondContact O-CD 3.34Å; Y433-P436 WeakPolarHBondContact O-CG 3.48Å; Y433-E437 PolarHBondContact O-N 3.13Å
434M88.6Confident89.8Confident10 Ų1027.1 Ų27.15%0.04914%0.136CC..Hα-helixtrans-63-35.6-179.4-73.4-172.570.900113.4I240 L430 A431 S438 Y463I240-M434 HydrophobicContact CB-CE 3.88Å; I240-M434 HydrophobicContact CB-SD 4.11Å; I240-M434 HydrophobicContact CD1-CE 3.57Å; I240-M434 HydrophobicContact CD1-CG 4.21Å; I240-M434 HydrophobicContact CD1-SD 3.76Å; I240-M434 HydrophobicContact CG1-CE 3.77Å; I240-M434 HydrophobicContact CG1-SD 4.31Å; I240-M434 HydrophobicContact CG2-SD 4.34Å; L430-M434 HydrophobicContact CD1-CG 3.9Å; L430-M434 HydrophobicContact CD1-SD 3.8Å; L430-M434 HydrophobicContact CD2-SD 3.84Å; L430-M434 HydrophobicContact CG-CG 3.99Å; L430-M434 HydrophobicContact CG-SD 3.5Å; L430-M434 VanDerWaalsContact CG-SD 3.5Å; L430-M434 WeakPolarHBondContact O-CB 2.85Å; L430-M434 WeakPolarHBondContact O-CG 3.32Å; L430-M434 PolarHBondContact O-N 2.83Å; A431-M434 PolarHBondContact O-N 3.13Å; M434-S438 WeakPolarHBondContact O-CA 3.32Å; M434-S438 WeakPolarHBondContact O-CB 3.44Å; M434-S438 PolarHBondContact O-N 2.96Å; M434-S438 PolarHBondContact O-OG 2.8Å; M434-Y463 HydrophobicContact CB-CE2 4.4Å
435E86.8Confident89.1Confident25 Ų2529.2 Ų29.212%0.11715%0.146CC..Hα-helixtrans-52.8-64.5-178.9169-168.4176.600111.8A431 Y433 S438 L439 Y463 R470A431-E435 WeakPolarHBondContact O-CB 3.46Å; A431-E435 PolarHBondContact O-N 3.14Å; Y433-E435 VanDerWaalsContact C-N 3.32Å; Y433-E435 PolarHBondContact O-N 3.31Å; E435-S438 PolarHBondContact O-OG 2.86Å; E435-L439 WeakPolarHBondContact O-CG 3.49Å; E435-L439 PolarHBondContact O-N 3.28Å; E435-Y463 HydrophobicContact CB-CD1 4.16Å; E435-Y463 HydrophobicContact CB-CD2 4.41Å; E435-Y463 HydrophobicContact CB-CG 4.09Å; E435-Y463 HydrophobicContact CG-CD1 4.4Å; E435-Y463 HydrophobicContact CG-CG 4.23Å; E435-R470 IonicContact OE1-CZ 3.83Å; E435-R470 IonicContact OE1-NH1 2.89Å; E435-R470 PolarHBondContact OE1-NH1 3.4Å; E435-R470 IonicContact OE1-NH2 3.3Å; E435-R470 IonicContact OE2-CZ 2.65Å; E435-R470 VanDerWaalsContact OE2-CZ 3.27Å; E435-R470 IonicContact OE2-NH1 3.26Å; E435-R470 PolarHBondContact OE2-NH1 3.18Å; E435-R470 IonicContact OE2-NH2 2.91Å; E435-R470 PolarHBondContact OE2-NH2 3.1Å
436P88.8Confident88.2Confident61 Ų6129 Ų2940%0.39614%0.144SC..Hα-helixtrans-65.8-43.1-178.925.3-34.7000112.6Y433 L439 K440Y433-P436 VanDerWaalsContact O-CD 3.28Å; Y433-P436 WeakPolarHBondContact O-CD 3.34Å; Y433-P436 WeakPolarHBondContact O-CG 3.48Å; P436-L439 PolarHBondContact O-N 3.01Å; P436-K440 VanDerWaalsContact O-CB 3.25Å; P436-K440 WeakPolarHBondContact O-CB 3.32Å; P436-K440 PolarHBondContact O-N 3.46Å
437E89.1Confident87.3Confident31 Ų3130.7 Ų30.715%0.14515%0.154CC..Hα-helixtrans-70.5-38.8-174-70.3-49.811800112.5I316 E317 Y433 K440 L441I316-E437 HydrophobicContact CG2-CB 3.92Å; E317-E437 HydrophobicContact CB-CG 4.09Å; E317-E437 HydrophobicContact CG-CG 4.4Å; Y433-E437 PolarHBondContact O-N 3.13Å; E437-K440 PolarHBondContact O-N 2.97Å; E437-K440 IonicContact OE1-NZ 3.11Å; E437-K440 IonicContact OE2-NZ 3.09Å; E437-K440 PolarHBondContact OE2-NZ 3.28Å; E437-L441 VanDerWaalsContact O-CB 3.23Å; E437-L441 WeakPolarHBondContact O-CB 3.32Å; E437-L441 PolarHBondContact O-N 3.48Å
438S86.3Confident86.3Confident1 Ų131.7 Ų31.71%0.00716%0.164CC..Hα-helixtrans-67.3-38.6175.368.80000112.1M434 E435 L441 L442 H460M434-S438 WeakPolarHBondContact O-CA 3.32Å; M434-S438 WeakPolarHBondContact O-CB 3.44Å; M434-S438 PolarHBondContact O-N 2.96Å; M434-S438 PolarHBondContact O-OG 2.8Å; E435-S438 PolarHBondContact O-OG 2.86Å; S438-L441 PolarHBondContact O-N 2.93Å; S438-L442 VanDerWaalsContact O-CB 3.28Å; S438-L442 WeakPolarHBondContact O-CB 3.02Å; S438-L442 VanDerWaalsContact O-CG 3.29Å; S438-L442 WeakPolarHBondContact O-CG 3.39Å; S438-L442 PolarHBondContact O-N 3.11Å; S438-H460 PolarHBondContact OG-ND1 3.24Å
439L86.2Confident85.8Confident33 Ų3331.9 Ų31.917%0.17317%0.165CC..Hα-helixtrans-64.9-43.2175.8-69.3176.2000111E435 P436 Y443 A464E435-L439 WeakPolarHBondContact O-CG 3.49Å; E435-L439 PolarHBondContact O-N 3.28Å; P436-L439 PolarHBondContact O-N 3.01Å; L439-Y443 HydrophobicContact CB-CD2 4.46Å; L439-Y443 HydrophobicContact CD2-CD2 3.81Å; L439-Y443 HydrophobicContact CD2-CE2 3.68Å; L439-Y443 VanDerWaalsContact O-CB 3.32Å; L439-Y443 WeakPolarHBondContact O-CB 3.2Å; L439-Y443 WeakPolarHBondContact O-CD2 3.46Å; L439-Y443 PolarHBondContact O-N 3.33Å; L439-A464 HydrophobicContact CD2-CB 4.39Å
440K87.7Confident85.4Confident77 Ų7732.7 Ų32.734%0.33517%0.169SC..Iπ-helixtrans-64.1-46.4175.9175.9-179.2165.1-154.60111.9P436 E437 I444 H445P436-K440 VanDerWaalsContact O-CB 3.25Å; P436-K440 WeakPolarHBondContact O-CB 3.32Å; P436-K440 PolarHBondContact O-N 3.46Å; E437-K440 PolarHBondContact O-N 2.97Å; E437-K440 IonicContact OE1-NZ 3.11Å; E437-K440 IonicContact OE2-NZ 3.09Å; E437-K440 PolarHBondContact OE2-NZ 3.28Å; K440-I444 HydrophobicContact CB-CD1 4.23Å; K440-I444 HydrophobicContact CG-CD1 4.27Å; K440-I444 VanDerWaalsContact O-CB 3.31Å; K440-I444 WeakPolarHBondContact O-CB 3.46Å; K440-I444 PolarHBondContact O-N 3.29Å; K440-H445 WeakPolarHBondContact CG-CE1 3.38Å; K440-H445 PolarHBondContact O-N 3.01Å; K440-H445 PolarHBondContact O-ND1 3.37Å
441L86.9Confident85Confident15 Ų1533.2 Ų33.28%0.07917%0.172CC..Iπ-helixtrans-63.3-49179.4-179.764.1000110.9Y205 I207 P315 I316 E437 S438 G446Y205-L441 HydrophobicContact CD1-CD2 4.08Å; Y205-L441 HydrophobicContact CD2-CD2 3.7Å; Y205-L441 HydrophobicContact CE1-CD2 4.2Å; Y205-L441 HydrophobicContact CE2-CD2 3.83Å; Y205-L441 HydrophobicContact CG-CD2 3.83Å; I207-L441 HydrophobicContact CG2-CD1 3.76Å; I207-L441 HydrophobicContact CG2-CG 4.35Å; P315-L441 HydrophobicContact CB-CD1 4.21Å; P315-L441 HydrophobicContact CB-CD2 3.78Å; I316-L441 HydrophobicContact CD1-CD2 4.22Å; I316-L441 HydrophobicContact CG1-CD2 3.85Å; E437-L441 VanDerWaalsContact O-CB 3.23Å; E437-L441 WeakPolarHBondContact O-CB 3.32Å; E437-L441 PolarHBondContact O-N 3.48Å; S438-L441 PolarHBondContact O-N 2.93Å; L441-G446 WeakPolarHBondContact O-CA 3.31Å; L441-G446 PolarHBondContact O-N 3.13Å
442L84.1Confident84.7Confident2 Ų236 Ų361%0.0119%0.188CC..Iπ-helixtrans-79-38.4-172.4-68.1172.6000113.5Y205 S438 G446 N447 G448 D449 L451 H460Y205-L442 HydrophobicContact CD1-CD2 3.88Å; Y205-L442 HydrophobicContact CE1-CD2 3.83Å; S438-L442 VanDerWaalsContact O-CB 3.28Å; S438-L442 WeakPolarHBondContact O-CB 3.02Å; S438-L442 VanDerWaalsContact O-CG 3.29Å; S438-L442 WeakPolarHBondContact O-CG 3.39Å; S438-L442 PolarHBondContact O-N 3.11Å; L442-G446 CarbonylContact O-C 2.97Å; L442-G446 VanDerWaalsContact O-C 3.25Å; L442-G446 VanDerWaalsContact O-CA 3.25Å; L442-G446 WeakPolarHBondContact O-CA 3.48Å; L442-N447 PolarHBondContact O-N 3.47Å; L442-G448 WeakPolarHBondContact O-CA 3.12Å; L442-G448 PolarHBondContact O-N 3.27Å; L442-D449 HydrophobicContact CD2-CB 3.65Å; L442-L451 HydrophobicContact CD1-CD1 4.27Å; L442-L451 HydrophobicContact CD1-CD2 4.26Å; L442-L451 HydrophobicContact CD2-CD2 3.97Å; L442-H460 WeakPolarHBondContact CD1-CE1 3.4Å; L442-H460 WeakPolarHBondContact CD1-NE2 3.19Å
443Y78Confident84.2Confident52 Ų5235.5 Ų35.520%0.20418%0.184CC..Iπ-helixtrans-110.7-31-167.3-57.7-67.8000114.1Y19 L439 H460Y19-Y443 AromaticContact CZ-CG 3.93Å; Y19-Y443 WeakPolarHBondContact OH-CD1 3.48Å; Y19-Y443 WeakPolarHBondContact OH-CD2 3.46Å; Y19-Y443 WeakPolarHBondContact OH-CE1 3.29Å; Y19-Y443 VanDerWaalsContact OH-CE2 3.23Å; Y19-Y443 WeakPolarHBondContact OH-CE2 3.34Å; L439-Y443 HydrophobicContact CB-CD2 4.46Å; L439-Y443 HydrophobicContact CD2-CD2 3.81Å; L439-Y443 HydrophobicContact CD2-CE2 3.68Å; L439-Y443 VanDerWaalsContact O-CB 3.32Å; L439-Y443 WeakPolarHBondContact O-CB 3.2Å; L439-Y443 WeakPolarHBondContact O-CD2 3.46Å; L439-Y443 PolarHBondContact O-N 3.33Å; Y443-H460 HydrophobicContact CE2-CB 4.1Å
444I78.9Confident83.6Confident122 Ų12241.4 Ų41.463%0.62621%0.207SC*.Iπ-helixtrans-83.7-53.4175.1-56.7178.7000109.6K440K440-I444 HydrophobicContact CB-CD1 4.23Å; K440-I444 HydrophobicContact CG-CD1 4.27Å; K440-I444 VanDerWaalsContact O-CB 3.31Å; K440-I444 WeakPolarHBondContact O-CB 3.46Å; K440-I444 PolarHBondContact O-N 3.29Å
445H80.5Confident83.2Confident101 Ų10143.8 Ų43.847%0.46822%0.215SC..Iπ-helixtrans-91.9-37.1-177.8-57.392.1000112.7I207 K440 N447I207-H445 WeakPolarHBondContact CD1-O 3.49Å; K440-H445 WeakPolarHBondContact CG-CE1 3.38Å; K440-H445 PolarHBondContact O-N 3.01Å; K440-H445 PolarHBondContact O-ND1 3.37Å; H445-N447 PolarHBondContact O-N 3.2Å
446G78.2Confident82.9Confident0 Ų043.3 Ų43.30%021%0.213CC..SBendtrans-80.3-12.7-167.300000115.7L441 L442 G448 D449L441-G446 WeakPolarHBondContact O-CA 3.31Å; L441-G446 PolarHBondContact O-N 3.13Å; L442-G446 CarbonylContact O-C 2.97Å; L442-G446 VanDerWaalsContact O-C 3.25Å; L442-G446 VanDerWaalsContact O-CA 3.25Å; L442-G446 WeakPolarHBondContact O-CA 3.48Å; G446-G448 PolarHBondContact O-N 2.8Å; G446-G448 VanDerWaalsContact O-N 3.15Å; G446-D449 PolarHBondContact O-N 3.41Å
447N77.8Confident82.5Confident37 Ų3744.9 Ų44.920%0.19821%0.211CC..SBendtrans53.627.6-174.6-75-46.9000114.1R67 V71 L442 H445R67-N447 HydrophobicContact CB-CB 3.91Å; R67-N447 HydrophobicContact CG-CB 3.75Å; R67-N447 PolarHBondContact NE-OD1 3Å; V71-N447 HydrophobicContact CG2-CB 4.47Å; L442-N447 PolarHBondContact O-N 3.47Å; H445-N447 PolarHBondContact O-N 3.2Å
448G75.7Confident82.2Confident22 Ų2247.8 Ų47.823%0.22723%0.227CC..SBendtrans77.163-173.100000112L442 G446L442-G448 WeakPolarHBondContact O-CA 3.12Å; L442-G448 PolarHBondContact O-N 3.27Å; G446-G448 PolarHBondContact O-N 2.8Å; G446-G448 VanDerWaalsContact O-N 3.15Å
449D85.2Confident82.2Confident7 Ų749.6 Ų49.64%0.03724%0.236CC..  trans-52.3162.8-177.6-155.1-12.7000113.2T206 I207 L442 G446 L451T206-D449 WeakPolarHBondContact CB-OD1 3.27Å; T206-D449 PolarHBondContact N-OD1 3.5Å; T206-D449 PolarHBondContact N-OD2 2.89Å; T206-D449 PolarHBondContact OG1-OD1 3.39Å; I207-D449 PolarHBondContact N-OD2 2.78Å; L442-D449 HydrophobicContact CD2-CB 3.65Å; G446-D449 PolarHBondContact O-N 3.41Å; D449-L451 PolarHBondContact O-N 2.94Å; D449-L451 VanDerWaalsContact O-N 3.16Å
450I85.9Confident82.1Confident18 Ų1848.4 Ų48.49%0.09223%0.23CC..  trans-75.7103.9177.9-58.9163.2000109.1V71 Y72 L75 Q238 P248V71-I450 HydrophobicContact CG1-CD1 3.83Å; V71-I450 HydrophobicContact CG1-CG1 3.81Å; Y72-I450 HydrophobicContact CD1-CD1 3.98Å; Y72-I450 HydrophobicContact CD2-CD1 4.39Å; Y72-I450 HydrophobicContact CE1-CD1 3.77Å; Y72-I450 HydrophobicContact CE2-CD1 4.18Å; Y72-I450 HydrophobicContact CE2-CG1 4.45Å; Y72-I450 HydrophobicContact CG-CD1 4.29Å; L75-I450 HydrophobicContact CD2-CD1 3.73Å; Q238-I450 PolarHBondContact NE2-O 3.23Å; P248-I450 HydrophobicContact CB-CB 4.12Å; P248-I450 HydrophobicContact CB-CG2 3.75Å; P248-I450 HydrophobicContact CG-CB 4.24Å; P248-I450 HydrophobicContact CG-CG2 4.31Å
451L86.3Confident81.9Confident14 Ų1446.6 Ų46.67%0.07322%0.224CC..  trans-90.2121.4168.1-60.3176.1000109.6Y205 L442 D449 D453 Q456 R457Y205-L451 HydrophobicContact CE1-CD2 4.42Å; L442-L451 HydrophobicContact CD1-CD1 4.27Å; L442-L451 HydrophobicContact CD1-CD2 4.26Å; L442-L451 HydrophobicContact CD2-CD2 3.97Å; D449-L451 PolarHBondContact O-N 2.94Å; D449-L451 VanDerWaalsContact O-N 3.16Å; L451-D453 VanDerWaalsContact C-N 3.34Å; L451-Q456 HydrophobicContact CD1-CB 4.14Å; L451-R457 HydrophobicContact CB-CG 4.46Å; L451-R457 HydrophobicContact CD1-CG 3.77Å
452V84.7Confident81.9Confident62 Ų6247.4 Ų47.438%0.37623%0.227SC..SBendtrans-69-35.4-177.3-177.50000111.4N246 N247 P248N246-V452 WeakPolarHBondContact ND2-CG1 3.49Å; N247-V452 VanDerWaalsContact C-CG2 3.48Å; P248-V452 HydrophobicContact CB-CG2 4.11Å; P248-V452 HydrophobicContact CG-CG2 4.41Å
453D81.9Confident82.1Confident18 Ų1847.5 Ų47.510%0.09623%0.227CC..  trans-105128.4177.7-161.5-40.6000112K239 L451 R455 Q456K239-D453 HydrophobicContact CD-CB 4.47Å; K239-D453 WeakPolarHBondContact CE-OD2 3.46Å; K239-D453 VanDerWaalsContact NZ-CG 3.33Å; K239-D453 IonicContact NZ-OD2 3.73Å; K239-D453 PolarHBondContact NZ-OD2 3.16Å; L451-D453 VanDerWaalsContact C-N 3.34Å; D453-R455 PolarHBondContact O-N 3.23Å; D453-R455 WeakPolarHBondContact OD1-CB 3.48Å; D453-R455 VanDerWaalsContact OD1-CG 3.27Å; D453-R455 WeakPolarHBondContact OD1-CG 3.3Å; D453-R455 PolarHBondContact OD1-N 2.98Å; D453-R455 IonicContact OD1-NE 3.41Å; D453-R455 PolarHBondContact OD1-NE 3.23Å; D453-R455 IonicContact OD2-CZ 2.72Å; D453-R455 IonicContact OD2-NE 2.75Å; D453-R455 PolarHBondContact OD2-NE 3.33Å; D453-R455 IonicContact OD2-NH2 3.19Å; D453-R455 PolarHBondContact OD2-NH2 3.07Å; D453-Q456 PolarHBondContact O-N 2.96Å; D453-Q456 VanDerWaalsContact O-N 3.16Å
454Y77.7Confident82.5Confident162 Ų16245.1 Ų45.164%0.63522%0.218SC*.Hα-helixtrans-60.4-28.1174.775-87.6000112.8Q456 R457 L458Y454-Q456 VanDerWaalsContact C-N 3.26Å; Y454-Q456 PolarHBondContact O-N 3.39Å; Y454-R457 VanDerWaalsContact O-CB 3.31Å; Y454-R457 WeakPolarHBondContact O-CB 3.39Å; Y454-R457 PolarHBondContact O-N 3.26Å; Y454-L458 HydrophobicContact CD2-CD1 4.38Å; Y454-L458 HydrophobicContact CE2-CD1 4.39Å; Y454-L458 PolarHBondContact O-N 2.95Å
455R80.7Confident83Confident60 Ų6040.8 Ų40.823%0.22620%0.196CC..Hα-helixtrans-62.6-30.7177.3-65176.8-75.4-171.6-5.5112.3D453 R457 L458 L459 D540 S541D453-R455 PolarHBondContact O-N 3.23Å; D453-R455 WeakPolarHBondContact OD1-CB 3.48Å; D453-R455 VanDerWaalsContact OD1-CG 3.27Å; D453-R455 WeakPolarHBondContact OD1-CG 3.3Å; D453-R455 PolarHBondContact OD1-N 2.98Å; D453-R455 IonicContact OD1-NE 3.41Å; D453-R455 PolarHBondContact OD1-NE 3.23Å; D453-R455 IonicContact OD2-CZ 2.72Å; D453-R455 IonicContact OD2-NE 2.75Å; D453-R455 PolarHBondContact OD2-NE 3.33Å; D453-R455 IonicContact OD2-NH2 3.19Å; D453-R455 PolarHBondContact OD2-NH2 3.07Å; R455-R457 VanDerWaalsContact C-N 3.33Å; R455-L458 WeakPolarHBondContact O-CB 3.27Å; R455-L458 PolarHBondContact O-N 3.17Å; R455-L459 PolarHBondContact O-N 3.26Å; R455-L459 VanDerWaalsContact O-N 3.13Å; R455-D540 PolarHBondContact NH2-O 3.23Å; R455-S541 PolarHBondContact NH1-O 3.1Å
456Q80.9Confident83.4Confident15 Ų1536.4 Ų36.47%0.0718%0.176CC..Hα-helixtrans-65.7-38.3173-71.6-178.3-66.900111.3Q238 K239 L451 D453 Y454 L458 L459 H460Q238-Q456 PolarHBondContact O-NE2 3.05Å; K239-Q456 HydrophobicContact CB-CG 4.45Å; K239-Q456 HydrophobicContact CD-CG 3.97Å; K239-Q456 HydrophobicContact CG-CG 3.94Å; L451-Q456 HydrophobicContact CD1-CB 4.14Å; D453-Q456 PolarHBondContact O-N 2.96Å; D453-Q456 VanDerWaalsContact O-N 3.16Å; Y454-Q456 VanDerWaalsContact C-N 3.26Å; Y454-Q456 PolarHBondContact O-N 3.39Å; Q456-L458 VanDerWaalsContact C-N 3.26Å; Q456-L458 PolarHBondContact O-N 3.47Å; Q456-L459 WeakPolarHBondContact O-CA 3.42Å; Q456-L459 WeakPolarHBondContact O-CB 3.39Å; Q456-L459 PolarHBondContact O-N 3.49Å; Q456-H460 PolarHBondContact O-CD2 3.41Å; Q456-H460 PolarHBondContact O-N 3.36Å
457R80.3Confident83.9Confident94 Ų9443.7 Ų43.736%0.35520%0.204SC..Hα-helixtrans-59.9-40.1175.9-63.2-179.7-174.6178.17.8111.4L451 Y454 R455 L459 H460 L461L451-R457 HydrophobicContact CB-CG 4.46Å; L451-R457 HydrophobicContact CD1-CG 3.77Å; Y454-R457 VanDerWaalsContact O-CB 3.31Å; Y454-R457 WeakPolarHBondContact O-CB 3.39Å; Y454-R457 PolarHBondContact O-N 3.26Å; R455-R457 VanDerWaalsContact C-N 3.33Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-H460 PolarHBondContact O-N 2.75Å; R457-L461 VanDerWaalsContact O-CB 3.29Å; R457-L461 WeakPolarHBondContact O-CB 3.48Å; R457-L461 WeakPolarHBondContact O-CG 3.46Å; R457-L461 PolarHBondContact O-N 3.04Å
458L82.2Confident84.4Confident92 Ų9248.8 Ų48.848%0.48223%0.225SC..Hα-helixtrans-62.8-39.4174.7-65.4174.5000111.8Y454 R455 Q456 L461 F462Y454-L458 HydrophobicContact CD2-CD1 4.38Å; Y454-L458 HydrophobicContact CE2-CD1 4.39Å; Y454-L458 PolarHBondContact O-N 2.95Å; R455-L458 WeakPolarHBondContact O-CB 3.27Å; R455-L458 PolarHBondContact O-N 3.17Å; Q456-L458 VanDerWaalsContact C-N 3.26Å; Q456-L458 PolarHBondContact O-N 3.47Å; L458-L461 HydrophobicContact CD2-CD1 4.3Å; L458-L461 WeakPolarHBondContact O-CB 3.44Å; L458-F462 WeakPolarHBondContact O-CB 3.22Å; L458-F462 PolarHBondContact O-N 3.22Å
459L86Confident85.2Confident39 Ų3951 Ų5120%0.20423%0.231CC..Hα-helixtrans-66.2-43175.2-176.862.5000112.3R455 Q456 R457 F462 Y463 L495R455-L459 PolarHBondContact O-N 3.26Å; R455-L459 VanDerWaalsContact O-N 3.13Å; Q456-L459 WeakPolarHBondContact O-CA 3.42Å; Q456-L459 WeakPolarHBondContact O-CB 3.39Å; Q456-L459 PolarHBondContact O-N 3.49Å; R457-L459 VanDerWaalsContact C-N 3.32Å; L459-F462 CarbonylContact O-C 3.52Å; L459-F462 WeakPolarHBondContact O-CB 3.48Å; L459-F462 PolarHBondContact O-N 2.84Å; L459-F462 VanDerWaalsContact O-N 3.15Å; L459-Y463 HydrophobicContact CD1-CD1 4.46Å; L459-Y463 HydrophobicContact CD1-CE1 3.89Å; L459-Y463 HydrophobicContact CD1-CE2 4.25Å; L459-Y463 HydrophobicContact CD2-CE2 4.14Å; L459-Y463 HydrophobicContact CG-CD2 4.33Å; L459-Y463 HydrophobicContact CG-CE1 4.38Å; L459-Y463 HydrophobicContact CG-CE2 3.84Å; L459-Y463 PolarHBondContact O-N 3.29Å; L459-L495 HydrophobicContact CD1-CD1 4.02Å; L459-L495 HydrophobicContact CD1-CD2 4.31Å
460H84.4Confident85.5Confident7 Ų751 Ų513%0.03223%0.23CC..Hα-helixtrans-67.5-37.9177.1-63.1-58.3000112.5S438 L442 Y443 Q456 R457 F462 Y463 A464S438-H460 PolarHBondContact OG-ND1 3.24Å; L442-H460 WeakPolarHBondContact CD1-CE1 3.4Å; L442-H460 WeakPolarHBondContact CD1-NE2 3.19Å; Y443-H460 HydrophobicContact CE2-CB 4.1Å; Q456-H460 PolarHBondContact O-CD2 3.41Å; Q456-H460 PolarHBondContact O-N 3.36Å; R457-H460 PolarHBondContact O-N 2.75Å; H460-F462 VanDerWaalsContact C-N 3.27Å; H460-F462 PolarHBondContact O-N 3.11Å; H460-Y463 PolarHBondContact O-N 2.93Å; H460-A464 PolarHBondContact O-N 3.23Å
461L84.6Confident85.9Confident40 Ų4053.1 Ų53.121%0.20924%0.24CC..Hα-helixtrans-55.5-45.2168.2-91.6167.6000111.5L20 L23 R457 L458 A464 L465L20-L461 HydrophobicContact CD2-CD2 4.19Å; L23-L461 HydrophobicContact CB-CD2 3.61Å; L23-L461 HydrophobicContact CD1-CD2 3.8Å; L23-L461 HydrophobicContact CD1-CG 4.21Å; L23-L461 HydrophobicContact CD2-CD1 3.96Å; L23-L461 HydrophobicContact CD2-CD2 3.64Å; L23-L461 HydrophobicContact CD2-CG 3.75Å; L23-L461 HydrophobicContact CG-CD2 3.84Å; L23-L461 HydrophobicContact CG-CG 4.38Å; R457-L461 VanDerWaalsContact O-CB 3.29Å; R457-L461 WeakPolarHBondContact O-CB 3.48Å; R457-L461 WeakPolarHBondContact O-CG 3.46Å; R457-L461 PolarHBondContact O-N 3.04Å; L458-L461 HydrophobicContact CD2-CD1 4.3Å; L458-L461 WeakPolarHBondContact O-CB 3.44Å; L461-A464 PolarHBondContact O-N 3.15Å; L461-L465 PolarHBondContact O-N 3.2Å
462F86.6Confident86.3Confident32 Ų3261.3 Ų61.314%0.1427%0.269CS..Hα-helixtrans-65.4-38.6177.6-173-107.9000112.2L458 L459 H460 A464 L465 R470 I473 A474 L495L458-F462 WeakPolarHBondContact O-CB 3.22Å; L458-F462 PolarHBondContact O-N 3.22Å; L459-F462 CarbonylContact O-C 3.52Å; L459-F462 WeakPolarHBondContact O-CB 3.48Å; L459-F462 PolarHBondContact O-N 2.84Å; L459-F462 VanDerWaalsContact O-N 3.15Å; H460-F462 VanDerWaalsContact C-N 3.27Å; H460-F462 PolarHBondContact O-N 3.11Å; F462-A464 VanDerWaalsContact C-N 3.32Å; F462-A464 PolarHBondContact O-N 3.31Å; F462-L465 HydrophobicContact CD2-CD1 3.77Å; F462-L465 HydrophobicContact CE2-CD1 4.29Å; F462-L465 WeakPolarHBondContact O-CB 3.27Å; F462-L465 PolarHBondContact O-N 2.72Å; F462-R470 HydrophobicContact CD1-CG 3.83Å; F462-R470 HydrophobicContact CD2-CG 4.19Å; F462-R470 VanDerWaalsContact CE1-CD 3.48Å; F462-R470 HydrophobicContact CE1-CG 3.23Å; F462-R470 HydrophobicContact CE2-CG 3.65Å; F462-R470 HydrophobicContact CG-CG 4.27Å; F462-R470 HydrophobicContact CZ-CB 4.32Å; F462-R470 HydrophobicContact CZ-CG 3.14Å; F462-R470 WeakPolarHBondContact O-CD 3.36Å; F462-I473 HydrophobicContact CE2-CB 4.27Å; F462-I473 HydrophobicContact CE2-CG2 3.98Å; F462-A474 HydrophobicContact CZ-CB 4Å; F462-L495 HydrophobicContact CE1-CB 3.83Å
463Y87.8Confident86.8Confident4 Ų461 Ų612%0.01627%0.265CS..Hα-helixtrans-65.4-32.1172.8-72.3-20.2000113.4A431 M434 E435 L459 H460 L465 L495A431-Y463 HydrophobicContact CB-CE1 4.41Å; M434-Y463 HydrophobicContact CB-CE2 4.4Å; E435-Y463 HydrophobicContact CB-CD1 4.16Å; E435-Y463 HydrophobicContact CB-CD2 4.41Å; E435-Y463 HydrophobicContact CB-CG 4.09Å; E435-Y463 HydrophobicContact CG-CD1 4.4Å; E435-Y463 HydrophobicContact CG-CG 4.23Å; L459-Y463 HydrophobicContact CD1-CD1 4.46Å; L459-Y463 HydrophobicContact CD1-CE1 3.89Å; L459-Y463 HydrophobicContact CD1-CE2 4.25Å; L459-Y463 HydrophobicContact CD2-CE2 4.14Å; L459-Y463 HydrophobicContact CG-CD2 4.33Å; L459-Y463 HydrophobicContact CG-CE1 4.38Å; L459-Y463 HydrophobicContact CG-CE2 3.84Å; L459-Y463 PolarHBondContact O-N 3.29Å; H460-Y463 PolarHBondContact O-N 2.93Å; Y463-L465 PolarHBondContact O-N 3.19Å; Y463-L495 HydrophobicContact CE1-CD2 4.15Å
464A87.1Confident87.4Confident2 Ų260.2 Ų60.22%0.01726%0.261CS..THydrogen-bonded Turntrans-72.1-11.3176.200000113.8T16 Y19 L20 L439 H460 L461 F462T16-A464 WeakPolarHBondContact CB-O 3.36Å; Y19-A464 HydrophobicContact CD1-CB 4.12Å; Y19-A464 HydrophobicContact CE1-CB 4.09Å; L20-A464 HydrophobicContact CD2-CB 4.27Å; L20-A464 HydrophobicContact CG-CB 4.45Å; L439-A464 HydrophobicContact CD2-CB 4.39Å; H460-A464 PolarHBondContact O-N 3.23Å; L461-A464 PolarHBondContact O-N 3.15Å; F462-A464 VanDerWaalsContact C-N 3.32Å; F462-A464 PolarHBondContact O-N 3.31Å
465L89.2Confident88.3Confident30 Ų3055.1 Ų55.116%0.15724%0.243CC..SBendtrans-72.4143.2176.5-64.5168.4000111.6L20 L461 F462 Y463 R467 L469 R470 I473L20-L465 HydrophobicContact CD1-CD2 3.69Å; L20-L465 HydrophobicContact CD2-CD2 3.85Å; L20-L465 HydrophobicContact CD2-CG 4.41Å; L20-L465 HydrophobicContact CG-CD2 4.44Å; L461-L465 PolarHBondContact O-N 3.2Å; F462-L465 HydrophobicContact CD2-CD1 3.77Å; F462-L465 HydrophobicContact CE2-CD1 4.29Å; F462-L465 WeakPolarHBondContact O-CB 3.27Å; F462-L465 PolarHBondContact O-N 2.72Å; Y463-L465 PolarHBondContact O-N 3.19Å; L465-R467 PolarHBondContact O-N 2.95Å; L465-L469 HydrophobicContact CD2-CD2 3.92Å; L465-R470 HydrophobicContact CB-CB 4.29Å; L465-I473 HydrophobicContact CD1-CD1 3.93Å
466P88.9Confident89Confident9 Ų959.8 Ų59.86%0.05826%0.261CS..  trans-52.7140.2169.6-26.234.5000111.5F468 L469 R470P466-F468 VanDerWaalsContact C-N 3.27Å; P466-F468 HydrophobicContact CB-CD1 3.8Å; P466-F468 HydrophobicContact CB-CE1 3.48Å; P466-F468 VanDerWaalsContact CB-CE1 3.48Å; P466-F468 HydrophobicContact CB-CZ 4.32Å; P466-F468 HydrophobicContact CG-CE1 4.28Å; P466-F468 PolarHBondContact O-N 3.31Å; P466-F468 VanDerWaalsContact O-N 3.13Å; P466-L469 WeakPolarHBondContact O-CB 3.43Å; P466-L469 PolarHBondContact O-N 2.89Å; P466-R470 PolarHBondContact O-N 2.73Å
467R87.8Confident89.7Confident154 Ų15465.6 Ų65.658%0.58128%0.282SS*.Hα-helixtrans-53.6-40.6-171.9-69.2-176.3178.21711.8113.8L465 R470 H471L465-R467 PolarHBondContact O-N 2.95Å; R467-R470 PolarHBondContact O-N 3.41Å; R467-H471 WeakPolarHBondContact O-CB 3.4Å; R467-H471 PolarHBondContact O-N 3.04Å
468F88.3Confident90.4Very high144 Ų14461.1 Ų61.163%0.63227%0.265SS*.Hα-helixtrans-65.6-39.8-179.975.2-89.3000111.8P466 R472P466-F468 VanDerWaalsContact C-N 3.27Å; P466-F468 HydrophobicContact CB-CD1 3.8Å; P466-F468 HydrophobicContact CB-CE1 3.48Å; P466-F468 VanDerWaalsContact CB-CE1 3.48Å; P466-F468 HydrophobicContact CB-CZ 4.32Å; P466-F468 HydrophobicContact CG-CE1 4.28Å; P466-F468 PolarHBondContact O-N 3.31Å; P466-F468 VanDerWaalsContact O-N 3.13Å; F468-R472 VanDerWaalsContact O-CG 3.31Å; F468-R472 WeakPolarHBondContact O-CG 3.3Å; F468-R472 PolarHBondContact O-N 3.06Å; F468-R472 VanDerWaalsContact O-N 3.12Å
469L91.8Very high91.1Very high68 Ų6862.1 Ų62.136%0.35627%0.267SS..Hα-helixtrans-71.2-43.6179-177.861.6000110.1L465 P466 H471 R472 I473L465-L469 HydrophobicContact CD2-CD2 3.92Å; P466-L469 WeakPolarHBondContact O-CB 3.43Å; P466-L469 PolarHBondContact O-N 2.89Å; L469-H471 VanDerWaalsContact C-N 3.32Å; L469-H471 PolarHBondContact O-N 2.66Å; L469-R472 PolarHBondContact O-N 3.35Å; L469-I473 HydrophobicContact CD1-CD1 3.94Å; L469-I473 HydrophobicContact CD1-CG1 4.28Å; L469-I473 HydrophobicContact CD2-CD1 4.45Å; L469-I473 HydrophobicContact CG-CD1 3.76Å; L469-I473 HydrophobicContact CG-CG1 4.47Å; L469-I473 WeakPolarHBondContact O-CG1 3.35Å; L469-I473 PolarHBondContact O-N 2.97Å
470R93Very high91.4Very high7 Ų763.2 Ų63.23%0.02629%0.289CS..Hα-helixtrans-55.4-48.1174.4-168.1174.167-141.37.8111.6E435 F462 L465 P466 R467 I473 A474 L495E435-R470 IonicContact OE1-CZ 3.83Å; E435-R470 IonicContact OE1-NH1 2.89Å; E435-R470 PolarHBondContact OE1-NH1 3.4Å; E435-R470 IonicContact OE1-NH2 3.3Å; E435-R470 IonicContact OE2-CZ 2.65Å; E435-R470 VanDerWaalsContact OE2-CZ 3.27Å; E435-R470 IonicContact OE2-NH1 3.26Å; E435-R470 PolarHBondContact OE2-NH1 3.18Å; E435-R470 IonicContact OE2-NH2 2.91Å; E435-R470 PolarHBondContact OE2-NH2 3.1Å; F462-R470 HydrophobicContact CD1-CG 3.83Å; F462-R470 HydrophobicContact CD2-CG 4.19Å; F462-R470 VanDerWaalsContact CE1-CD 3.48Å; F462-R470 HydrophobicContact CE1-CG 3.23Å; F462-R470 HydrophobicContact CE2-CG 3.65Å; F462-R470 HydrophobicContact CG-CG 4.27Å; F462-R470 HydrophobicContact CZ-CB 4.32Å; F462-R470 HydrophobicContact CZ-CG 3.14Å; F462-R470 WeakPolarHBondContact O-CD 3.36Å; L465-R470 HydrophobicContact CB-CB 4.29Å; P466-R470 PolarHBondContact O-N 2.73Å; R467-R470 PolarHBondContact O-N 3.41Å; R470-I473 PolarHBondContact O-N 2.81Å; R470-A474 VanDerWaalsContact O-CB 3.28Å; R470-A474 WeakPolarHBondContact O-CB 3.27Å; R470-A474 PolarHBondContact O-N 3.19Å; R470-L495 PolarHBondContact NE-O 3Å; R470-L495 VanDerWaalsContact NE-O 3.09Å
471H94.1Very high91.8Very high62 Ų6264.3 Ų64.329%0.28729%0.294SS..Hα-helixtrans-57.9-48.6176.7177.865.3000112.2R467 L469 A474 E475 G496R467-H471 WeakPolarHBondContact O-CB 3.4Å; R467-H471 PolarHBondContact O-N 3.04Å; L469-H471 VanDerWaalsContact C-N 3.32Å; L469-H471 PolarHBondContact O-N 2.66Å; H471-A474 PolarHBondContact O-N 3.3Å; H471-E475 WeakPolarHBondContact O-CB 3.37Å; H471-E475 PolarHBondContact O-N 2.91Å; H471-G496 WeakPolarHBondContact CA-O 3.42Å; H471-G496 VanDerWaalsContact CB-O 3.31Å; H471-G496 WeakPolarHBondContact CB-O 2.96Å; H471-G496 PolarHBondContact ND1-O 2.79Å
472R95.1Very high92.1Very high186 Ų18666 Ų6670%0.70230%0.301SS*.Hα-helixtrans-63.1-43.4179.3-69.5-68-172.9174.31.5112.6F468 L469 W476F468-R472 VanDerWaalsContact O-CG 3.31Å; F468-R472 WeakPolarHBondContact O-CG 3.3Å; F468-R472 PolarHBondContact O-N 3.06Å; F468-R472 VanDerWaalsContact O-N 3.12Å; L469-R472 PolarHBondContact O-N 3.35Å; R472-W476 WeakPolarHBondContact O-CB 3.4Å; R472-W476 PolarHBondContact O-N 3.14Å
473I94.5Very high92.1Very high56 Ų5671.8 Ų71.829%0.28733%0.333SS..Hα-helixtrans-66.7-44.8179-67.9168.3000110.8F462 L465 L469 R470 R477F462-I473 HydrophobicContact CE2-CB 4.27Å; F462-I473 HydrophobicContact CE2-CG2 3.98Å; L465-I473 HydrophobicContact CD1-CD1 3.93Å; L469-I473 HydrophobicContact CD1-CD1 3.94Å; L469-I473 HydrophobicContact CD1-CG1 4.28Å; L469-I473 HydrophobicContact CD2-CD1 4.45Å; L469-I473 HydrophobicContact CG-CD1 3.76Å; L469-I473 HydrophobicContact CG-CG1 4.47Å; L469-I473 WeakPolarHBondContact O-CG1 3.35Å; L469-I473 PolarHBondContact O-N 2.97Å; R470-I473 PolarHBondContact O-N 2.81Å; I473-R477 WeakPolarHBondContact O-CB 3.24Å; I473-R477 WeakPolarHBondContact O-CG 3.45Å; I473-R477 PolarHBondContact O-N 2.81Å
474A94.9Very high92.2Very high2 Ų275.2 Ų75.22%0.01735%0.352CS..Hα-helixtrans-57.8-49.817600000111.6F462 R470 H471 R477 A478 L492F462-A474 HydrophobicContact CZ-CB 4Å; R470-A474 VanDerWaalsContact O-CB 3.28Å; R470-A474 WeakPolarHBondContact O-CB 3.27Å; R470-A474 PolarHBondContact O-N 3.19Å; H471-A474 PolarHBondContact O-N 3.3Å; A474-R477 PolarHBondContact O-N 2.97Å; A474-A478 VanDerWaalsContact O-CB 3.24Å; A474-A478 WeakPolarHBondContact O-CB 3.41Å; A474-A478 PolarHBondContact O-N 3.3Å; A474-L492 WeakPolarHBondContact CB-O 3.25Å
475E96.2Very high92.4Very high54 Ų5477.4 Ų77.425%0.25236%0.36SS..Hα-helixtrans-64.5-45.5-177.9-174.655.9-147.800111.5H471 R477 A478 Q479 R493H471-E475 WeakPolarHBondContact O-CB 3.37Å; H471-E475 PolarHBondContact O-N 2.91Å; E475-R477 PolarHBondContact O-N 3.22Å; E475-A478 PolarHBondContact O-N 3.48Å; E475-Q479 WeakPolarHBondContact O-CG 3.32Å; E475-Q479 PolarHBondContact O-N 3.44Å; E475-Q479 PolarHBondContact OE1-NE2 3.47Å; E475-R493 IonicContact OE1-NE 3.71Å; E475-R493 IonicContact OE1-NH2 3.68Å; E475-R493 WeakPolarHBondContact OE2-CG 3.48Å; E475-R493 IonicContact OE2-NE 3.7Å; E475-R493 PolarHBondContact OE2-NE 3.4Å
476W96.4Very high92.5Very high158 Ų15877.1 Ų77.160%0.59836%0.36SS*.Hα-helixtrans-58.8-45.5175.6171.464.9000112.3R472 G480R472-W476 WeakPolarHBondContact O-CB 3.4Å; R472-W476 PolarHBondContact O-N 3.14Å; W476-G480 PolarHBondContact O-N 3.45Å
477R94.8Very high92.8Very high138 Ų13876.7 Ų76.752%0.52136%0.358SS..Hα-helixtrans-67.1-39.4177-75.7-64.6-166.3172-1.1112.3I473 A474 E475 G480 I481 L492I473-R477 WeakPolarHBondContact O-CB 3.24Å; I473-R477 WeakPolarHBondContact O-CG 3.45Å; I473-R477 PolarHBondContact O-N 2.81Å; A474-R477 PolarHBondContact O-N 2.97Å; E475-R477 PolarHBondContact O-N 3.22Å; R477-G480 PolarHBondContact O-N 2.84Å; R477-I481 WeakPolarHBondContact O-CG1 3.26Å; R477-I481 PolarHBondContact O-N 3.32Å; R477-L492 HydrophobicContact CB-CD1 3.86Å
478A95.5Very high93.1Very high0 Ų070 Ų700%033%0.334CS..Hα-helixtrans-60.9-49.8178.200000110.8A474 E475 G480 I481 E482 A489 L492 R493A474-A478 VanDerWaalsContact O-CB 3.24Å; A474-A478 WeakPolarHBondContact O-CB 3.41Å; A474-A478 PolarHBondContact O-N 3.3Å; E475-A478 PolarHBondContact O-N 3.48Å; A478-G480 VanDerWaalsContact C-N 3.26Å; A478-G480 PolarHBondContact O-N 3.11Å; A478-I481 PolarHBondContact O-N 3.19Å; A478-I481 VanDerWaalsContact O-N 3.12Å; A478-E482 WeakPolarHBondContact O-CB 3.31Å; A478-E482 PolarHBondContact O-N 3.3Å; A478-A489 HydrophobicContact CB-CB 4.06Å; A478-L492 HydrophobicContact CB-CB 4.12Å; A478-L492 HydrophobicContact CB-CD1 4.45Å; A478-R493 HydrophobicContact CB-CG 3.78Å
479Q95.3Very high93.4Very high112 Ų11263.1 Ų63.152%0.52330%0.304SS..Hα-helixtrans-57.3-39.1176.1-70.7173.54.400112.4E475 I481E475-Q479 WeakPolarHBondContact O-CG 3.32Å; E475-Q479 PolarHBondContact O-N 3.44Å; E475-Q479 PolarHBondContact OE1-NE2 3.47Å; Q479-I481 VanDerWaalsContact C-N 3.29Å; Q479-I481 PolarHBondContact O-N 3.23Å
480G93Very high93.6Very high63 Ų6360.2 Ų60.265%0.64929%0.289SS*.Hα-helixtrans-69.4-20.5179.500000115.1W476 R477 A478W476-G480 PolarHBondContact O-N 3.45Å; R477-G480 PolarHBondContact O-N 2.84Å; A478-G480 VanDerWaalsContact C-N 3.26Å; A478-G480 PolarHBondContact O-N 3.11Å
481I92.3Very high93.7Very high30 Ų3060.2 Ų60.215%0.15429%0.289CS..Hα-helixtrans-117.8-10.8-176.871.6172.6000114.1R477 A478 Q479 N483 N484 Y485 T488 A489 L492 Y544R477-I481 WeakPolarHBondContact O-CG1 3.26Å; R477-I481 PolarHBondContact O-N 3.32Å; A478-I481 PolarHBondContact O-N 3.19Å; A478-I481 VanDerWaalsContact O-N 3.12Å; Q479-I481 VanDerWaalsContact C-N 3.29Å; Q479-I481 PolarHBondContact O-N 3.23Å; I481-N483 VanDerWaalsContact C-N 3.26Å; I481-N483 PolarHBondContact O-N 3.31Å; I481-N484 PolarHBondContact O-N 2.84Å; I481-Y485 PolarHBondContact O-N 3.35Å; I481-T488 HydrophobicContact CD1-CG2 3.7Å; I481-A489 HydrophobicContact CG1-CB 4.16Å; I481-L492 HydrophobicContact CD1-CD1 3.54Å; I481-L492 HydrophobicContact CG1-CD1 4.3Å; I481-Y544 HydrophobicContact CD1-CE1 4.2Å
482E90.8Very high93.7Very high74 Ų7459.1 Ų59.135%0.34629%0.285SS..THydrogen-bonded Turntrans-52.7-41.1-171.7179.6161.8-138.700113.4A478 N484 P486 A489 R493A478-E482 WeakPolarHBondContact O-CB 3.31Å; A478-E482 PolarHBondContact O-N 3.3Å; E482-N484 VanDerWaalsContact C-N 3.28Å; E482-N484 PolarHBondContact O-N 3.37Å; E482-P486 WeakPolarHBondContact O-CA 3.36Å; E482-P486 WeakPolarHBondContact O-CB 3.43Å; E482-P486 WeakPolarHBondContact O-CD 3.5Å; E482-A489 HydrophobicContact CB-CB 3.9Å; E482-A489 HydrophobicContact CG-CB 4.32Å; E482-R493 IonicContact OE1-CZ 2.84Å; E482-R493 IonicContact OE1-NH1 3.27Å; E482-R493 PolarHBondContact OE1-NH1 2.9Å; E482-R493 IonicContact OE1-NH2 3.5Å; E482-R493 PolarHBondContact OE1-NH2 3.42Å; E482-R493 IonicContact OE2-CZ 3.83Å; E482-R493 IonicContact OE2-NH1 3.63Å; E482-R493 IonicContact OE2-NH2 2.69Å; E482-R493 PolarHBondContact OE2-NH2 3.37Å
483N88.4Confident93.8Very high154 Ų15452.2 Ų52.282%0.82426%0.259SS*.THydrogen-bonded Turntrans-65.8-29.6178.9-64.6-20000113.4I481I481-N483 VanDerWaalsContact C-N 3.26Å; I481-N483 PolarHBondContact O-N 3.31Å
484N88.9Confident93.8Very high76 Ų7649.6 Ų49.641%0.40625%0.246SC..THydrogen-bonded Turntrans-99.6-34.9-175.9-68.1-23.1000112.4I481 E482I481-N484 PolarHBondContact O-N 2.84Å; E482-N484 VanDerWaalsContact C-N 3.28Å; E482-N484 PolarHBondContact O-N 3.37Å
485Y91.4Very high93.8Very high48 Ų4850.2 Ų50.219%0.18825%0.249CC..  trans-140.668.3-172.8-58.6-70.3000110.9I481 A487 T488 A489 Y544 S591 L592 M595I481-Y485 PolarHBondContact O-N 3.35Å; Y485-A487 PolarHBondContact O-N 3.21Å; Y485-T488 PolarHBondContact O-N 2.81Å; Y485-A489 PolarHBondContact O-N 3.11Å; Y485-Y544 AromaticContact CD1-CD1 3.93Å; Y485-Y544 HydrophobicContact CD1-CD1 3.93Å; Y485-Y544 HydrophobicContact CD1-CG 4.23Å; Y485-Y544 HydrophobicContact CD2-CD1 4.02Å; Y485-Y544 AromaticContact CD2-CE1 3.93Å; Y485-Y544 HydrophobicContact CD2-CE1 3.93Å; Y485-Y544 HydrophobicContact CE1-CD1 4.47Å; Y485-Y544 HydrophobicContact CE1-CG 4.42Å; Y485-Y544 HydrophobicContact CE2-CE1 4.44Å; Y485-Y544 AromaticContact CG-CD1 3.68Å; Y485-Y544 HydrophobicContact CG-CD1 3.68Å; Y485-Y544 HydrophobicContact CG-CE1 4.03Å; Y485-Y544 HydrophobicContact CG-CG 4.4Å; Y485-S591 VanDerWaalsContact OH-CB 3.25Å; Y485-S591 WeakPolarHBondContact OH-CB 3.39Å; Y485-S591 PolarHBondContact OH-O 2.71Å; Y485-L592 HydrophobicContact CD1-CB 4.41Å; Y485-L592 HydrophobicContact CE1-CB 4.46Å; Y485-M595 HydrophobicContact CE1-SD 4.19Å
486P92.3Very high93.6Very high24 Ų2447.7 Ų47.716%0.15624%0.238CC..Hα-helixtrans-61.2-41.8-172.523.8-34.8000112.7G385 L386 E482 T488 A489 V490G385-P486 WeakPolarHBondContact O-CG 3.47Å; L386-P486 HydrophobicContact CD2-CB 4Å; L386-P486 WeakPolarHBondContact O-CG 3.5Å; E482-P486 WeakPolarHBondContact O-CA 3.36Å; E482-P486 WeakPolarHBondContact O-CB 3.43Å; E482-P486 WeakPolarHBondContact O-CD 3.5Å; P486-T488 VanDerWaalsContact C-N 3.26Å; P486-T488 PolarHBondContact O-N 3.45Å; P486-A489 WeakPolarHBondContact O-CB 3.39Å; P486-A489 PolarHBondContact O-N 3.12Å; P486-V490 WeakPolarHBondContact O-CG2 3.39Å; P486-V490 PolarHBondContact O-N 3.29Å
487A93.5Very high93.5Very high1 Ų141.8 Ų41.81%0.00822%0.215CC..Hα-helixtrans-58.8-36.6175.900000112.7V387 Y485 V490 V491V387-A487 HydrophobicContact CG2-CB 4.07Å; Y485-A487 PolarHBondContact O-N 3.21Å; A487-V490 PolarHBondContact O-N 3.48Å; A487-V491 WeakPolarHBondContact O-CG2 3.5Å; A487-V491 PolarHBondContact O-N 2.99Å
488T94.4Very high93.2Very high12 Ų1237.9 Ų37.97%0.07421%0.21CC..Hα-helixtrans-77.6-33.1178.5-60.20000112.2I481 Y485 P486 V490 V491 L492 Y544 N547I481-T488 HydrophobicContact CD1-CG2 3.7Å; Y485-T488 PolarHBondContact O-N 2.81Å; P486-T488 VanDerWaalsContact C-N 3.26Å; P486-T488 PolarHBondContact O-N 3.45Å; T488-V490 VanDerWaalsContact C-N 3.26Å; T488-V490 PolarHBondContact O-N 2.93Å; T488-V491 PolarHBondContact O-N 3.28Å; T488-L492 WeakPolarHBondContact O-CG 3.29Å; T488-L492 PolarHBondContact O-N 3.31Å; T488-Y544 HydrophobicContact CG2-CD1 3.67Å; T488-Y544 HydrophobicContact CG2-CE1 3.71Å; T488-Y544 WeakPolarHBondContact OG1-CD1 3.45Å; T488-N547 WeakPolarHBondContact CG2-ND2 3.37Å; T488-N547 PolarHBondContact OG1-ND2 2.84Å
489A95Very high93Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-58.7-41.4170.900000111.2A478 I481 E482 Y485 P486 L492 R493A478-A489 HydrophobicContact CB-CB 4.06Å; I481-A489 HydrophobicContact CG1-CB 4.16Å; E482-A489 HydrophobicContact CB-CB 3.9Å; E482-A489 HydrophobicContact CG-CB 4.32Å; Y485-A489 PolarHBondContact O-N 3.11Å; P486-A489 WeakPolarHBondContact O-CB 3.39Å; P486-A489 PolarHBondContact O-N 3.12Å; A489-L492 PolarHBondContact O-N 3.49Å; A489-R493 WeakPolarHBondContact O-CG 3.5Å; A489-R493 PolarHBondContact O-N 2.94Å
490V95.5Very high92.8Very high8 Ų840.1 Ų40.15%0.04823%0.227CC..Hα-helixtrans-60.7-46174.3173.50000112L386 S420 Y423 Q424 P486 A487 T488 L492 R493 G494L386-V490 HydrophobicContact CD2-CG2 4.23Å; S420-V490 WeakPolarHBondContact O-CG1 3.46Å; Y423-V490 HydrophobicContact CD1-CB 4.24Å; Y423-V490 HydrophobicContact CD1-CG1 3.74Å; Y423-V490 HydrophobicContact CG-CG1 4.16Å; Q424-V490 HydrophobicContact CB-CG1 3.86Å; P486-V490 WeakPolarHBondContact O-CG2 3.39Å; P486-V490 PolarHBondContact O-N 3.29Å; A487-V490 PolarHBondContact O-N 3.48Å; T488-V490 VanDerWaalsContact C-N 3.26Å; T488-V490 PolarHBondContact O-N 2.93Å; V490-L492 PolarHBondContact O-N 3.49Å; V490-R493 PolarHBondContact O-N 3.39Å; V490-G494 PolarHBondContact O-N 3.36Å
491V95.4Very high92.7Very high6 Ų642.1 Ų42.14%0.03621%0.214CC..Hα-helixtrans-59.7-45.91761740000111.2Y423 I427 A487 T488 R493 G494 L495 N547Y423-V491 HydrophobicContact CD1-CG2 4.22Å; Y423-V491 HydrophobicContact CE1-CG2 3.3Å; Y423-V491 HydrophobicContact CE2-CG2 4.43Å; Y423-V491 VanDerWaalsContact CZ-CG2 3.42Å; Y423-V491 VanDerWaalsContact OH-CG2 3.24Å; Y423-V491 WeakPolarHBondContact OH-CG2 3.45Å; I427-V491 HydrophobicContact CG1-CG2 4.21Å; I427-V491 HydrophobicContact CG2-CG1 4.18Å; A487-V491 WeakPolarHBondContact O-CG2 3.5Å; A487-V491 PolarHBondContact O-N 2.99Å; T488-V491 PolarHBondContact O-N 3.28Å; V491-R493 VanDerWaalsContact C-N 3.35Å; V491-R493 PolarHBondContact O-N 3.49Å; V491-G494 WeakPolarHBondContact O-CA 3.45Å; V491-G494 PolarHBondContact O-N 2.7Å; V491-G494 VanDerWaalsContact O-N 3.07Å; V491-L495 HydrophobicContact CG1-CD1 4.13Å; V491-L495 HydrophobicContact CG1-CG 4.31Å; V491-L495 WeakPolarHBondContact O-CG 3.21Å; V491-L495 PolarHBondContact O-N 2.85Å; V491-N547 HydrophobicContact CG2-CB 3.98Å
492L95.3Very high92.8Very high39 Ų3949.2 Ų49.220%0.20424%0.244CC..Hα-helixtrans-58.4-46.2177.8-73173.4000111.6A474 R477 A478 I481 T488 A489 V490 G494 L495 G496A474-L492 WeakPolarHBondContact CB-O 3.25Å; R477-L492 HydrophobicContact CB-CD1 3.86Å; A478-L492 HydrophobicContact CB-CB 4.12Å; A478-L492 HydrophobicContact CB-CD1 4.45Å; I481-L492 HydrophobicContact CD1-CD1 3.54Å; I481-L492 HydrophobicContact CG1-CD1 4.3Å; T488-L492 WeakPolarHBondContact O-CG 3.29Å; T488-L492 PolarHBondContact O-N 3.31Å; A489-L492 PolarHBondContact O-N 3.49Å; V490-L492 PolarHBondContact O-N 3.49Å; L492-G494 VanDerWaalsContact C-N 3.25Å; L492-G494 PolarHBondContact O-N 2.86Å; L492-L495 PolarHBondContact O-N 2.99Å; L492-G496 PolarHBondContact O-N 3.14Å
493R95.8Very high93Very high41 Ų4148.2 Ų48.216%0.15524%0.244CC..Hα-helixtrans-61.5-34.1175.3-69.4-178.7-179.1124.41112.6Q424 E475 A478 E482 A489 V490 V491 G496 Y497Q424-R493 HydrophobicContact CG-CB 4.34Å; E475-R493 IonicContact OE1-NE 3.71Å; E475-R493 IonicContact OE1-NH2 3.68Å; E475-R493 WeakPolarHBondContact OE2-CG 3.48Å; E475-R493 IonicContact OE2-NE 3.7Å; E475-R493 PolarHBondContact OE2-NE 3.4Å; A478-R493 HydrophobicContact CB-CG 3.78Å; E482-R493 IonicContact OE1-CZ 2.84Å; E482-R493 IonicContact OE1-NH1 3.27Å; E482-R493 PolarHBondContact OE1-NH1 2.9Å; E482-R493 IonicContact OE1-NH2 3.5Å; E482-R493 PolarHBondContact OE1-NH2 3.42Å; E482-R493 IonicContact OE2-CZ 3.83Å; E482-R493 IonicContact OE2-NH1 3.63Å; E482-R493 IonicContact OE2-NH2 2.69Å; E482-R493 PolarHBondContact OE2-NH2 3.37Å; A489-R493 WeakPolarHBondContact O-CG 3.5Å; A489-R493 PolarHBondContact O-N 2.94Å; V490-R493 PolarHBondContact O-N 3.39Å; V491-R493 VanDerWaalsContact C-N 3.35Å; V491-R493 PolarHBondContact O-N 3.49Å; R493-G496 CarbonylContact O-C 3.51Å; R493-G496 PolarHBondContact O-N 3.18Å; R493-Y497 PolarHBondContact O-N 3.4Å
494G95.6Very high93.3Very high1 Ų141 Ų411%0.0121%0.205CC..Hα-helixtrans-66.7-47.1173.500000112.8S428 V490 V491 L492 G496 Y497S428-G494 WeakPolarHBondContact CA-O 3.33Å; S428-G494 VanDerWaalsContact OG-CA 3.31Å; S428-G494 WeakPolarHBondContact OG-CA 3.3Å; S428-G494 PolarHBondContact OG-O 3.35Å; V490-G494 PolarHBondContact O-N 3.36Å; V491-G494 WeakPolarHBondContact O-CA 3.45Å; V491-G494 PolarHBondContact O-N 2.7Å; V491-G494 VanDerWaalsContact O-N 3.07Å; L492-G494 VanDerWaalsContact C-N 3.25Å; L492-G494 PolarHBondContact O-N 2.86Å; G494-G496 PolarHBondContact O-N 2.88Å; G494-Y497 VanDerWaalsContact O-CB 3.24Å; G494-Y497 WeakPolarHBondContact O-CB 3.49Å; G494-Y497 PolarHBondContact O-N 2.97Å; G494-Y497 VanDerWaalsContact O-N 3.12Å
495L93.7Very high93.7Very high15 Ų1539.4 Ų39.48%0.07920%0.196CC..Hα-helixtrans-64.1-30.8175.5-62.5175.2000112.2I427 A431 L459 F462 Y463 R470 V491 L492 Y497I427-L495 HydrophobicContact CG2-CD2 3.89Å; I427-L495 HydrophobicContact CG2-CG 4Å; A431-L495 HydrophobicContact CB-CD2 4.01Å; L459-L495 HydrophobicContact CD1-CD1 4.02Å; L459-L495 HydrophobicContact CD1-CD2 4.31Å; F462-L495 HydrophobicContact CE1-CB 3.83Å; Y463-L495 HydrophobicContact CE1-CD2 4.15Å; R470-L495 PolarHBondContact NE-O 3Å; R470-L495 VanDerWaalsContact NE-O 3.09Å; V491-L495 HydrophobicContact CG1-CD1 4.13Å; V491-L495 HydrophobicContact CG1-CG 4.31Å; V491-L495 WeakPolarHBondContact O-CG 3.21Å; V491-L495 PolarHBondContact O-N 2.85Å; L492-L495 PolarHBondContact O-N 2.99Å; L495-Y497 VanDerWaalsContact C-N 3.33Å
496G93.1Very high93.9Very high1 Ų143.8 Ų43.81%0.0122%0.216CC..THydrogen-bonded Turntrans-85.48.9174.900000115.1H471 L492 R493 G494 S498H471-G496 WeakPolarHBondContact CA-O 3.42Å; H471-G496 VanDerWaalsContact CB-O 3.31Å; H471-G496 WeakPolarHBondContact CB-O 2.96Å; H471-G496 PolarHBondContact ND1-O 2.79Å; L492-G496 PolarHBondContact O-N 3.14Å; R493-G496 CarbonylContact O-C 3.51Å; R493-G496 PolarHBondContact O-N 3.18Å; G494-G496 PolarHBondContact O-N 2.88Å; G496-S498 PolarHBondContact O-N 2.8Å
497Y93.1Very high94.1Very high34 Ų3444.9 Ų44.913%0.13322%0.219CC..  trans-64.3127.4-175.9-168.6-92.9000111.2S428 R493 G494 L495 Q499 L504 Q507S428-Y497 WeakPolarHBondContact OG-CB 3.21Å; R493-Y497 PolarHBondContact O-N 3.4Å; G494-Y497 VanDerWaalsContact O-CB 3.24Å; G494-Y497 WeakPolarHBondContact O-CB 3.49Å; G494-Y497 PolarHBondContact O-N 2.97Å; G494-Y497 VanDerWaalsContact O-N 3.12Å; L495-Y497 VanDerWaalsContact C-N 3.33Å; Y497-Q499 HydrophobicContact CD1-CB 4.35Å; Y497-Q499 HydrophobicContact CE1-CB 3.52Å; Y497-Q499 HydrophobicContact CE1-CG 4.23Å; Y497-Q499 PolarHBondContact OH-OE1 3.1Å; Y497-L504 HydrophobicContact CD1-CD1 4.46Å; Y497-L504 HydrophobicContact CD1-CD2 4.48Å; Y497-L504 HydrophobicContact CE1-CB 3.86Å; Y497-L504 HydrophobicContact CE1-CD1 3.95Å; Y497-L504 HydrophobicContact CE1-CD2 4.35Å; Y497-L504 HydrophobicContact CE1-CG 4.27Å; Y497-L504 HydrophobicContact CE2-CD1 4.17Å; Y497-Q507 PolarHBondContact OH-NE2 3.32Å; Y497-Q507 PolarHBondContact OH-OE1 3.07Å
498S89.6Confident94.3Very high57 Ų5744.9 Ų44.940%0.39922%0.219SC..  trans-107.1-15.5-169.356.80000114.5G496G496-S498 PolarHBondContact O-N 2.8Å
499Q89.9Confident94.4Very high98 Ų9847.5 Ų47.546%0.45823%0.232SC..SBendtrans-79167.3-175.3-50.7-176.6-2.600112.2Y497 Q507Y497-Q499 HydrophobicContact CD1-CB 4.35Å; Y497-Q499 HydrophobicContact CE1-CB 3.52Å; Y497-Q499 HydrophobicContact CE1-CG 4.23Å; Y497-Q499 PolarHBondContact OH-OE1 3.1Å; Q499-Q507 VanDerWaalsContact OE1-NE2 3.12Å
500S91.7Very high94.5Very high60 Ų6050.9 Ų50.942%0.4225%0.251SS..  trans-64.8150.7179.984.50000112.2K502 T503 L504S500-K502 PolarHBondContact O-N 3.38Å; S500-T503 WeakPolarHBondContact O-CB 3.19Å; S500-T503 PolarHBondContact O-N 3.21Å; S500-T503 PolarHBondContact OG-N 3.06Å; S500-T503 PolarHBondContact OG-OG1 2.89Å; S500-L504 PolarHBondContact O-N 2.7Å
501R91.4Very high94.6Very high105 Ų10550.5 Ų50.540%0.39625%0.248SC..Hα-helixtrans-56.6-36.1174.9-168.7-177.2-69.7166.30112.3S432 T503 L504 I505S432-R501 PolarHBondContact O-NH2 2.68Å; R501-T503 PolarHBondContact O-N 3.17Å; R501-L504 WeakPolarHBondContact O-CB 3.47Å; R501-L504 PolarHBondContact O-N 3.46Å; R501-I505 HydrophobicContact CG-CD1 4.08Å; R501-I505 WeakPolarHBondContact O-CG1 3.47Å; R501-I505 PolarHBondContact O-N 3.42Å
502K93.4Very high94.7Very high179 Ų17952.1 Ų52.178%0.77826%0.255SS*.Hα-helixtrans-61.5-43.4175.8-175.2178-178.8176.50111.8S500 K506S500-K502 PolarHBondContact O-N 3.38Å; K502-K506 PolarHBondContact O-N 3.47Å; K502-K506 VanDerWaalsContact O-N 3.11Å
503T95.7Very high94.8Very high54 Ų5456.2 Ų56.233%0.33127%0.273SS..Hα-helixtrans-66-41.1176.6-48.50000111.2S500 R501 K506 Q507S500-T503 WeakPolarHBondContact O-CB 3.19Å; S500-T503 PolarHBondContact O-N 3.21Å; S500-T503 PolarHBondContact OG-N 3.06Å; S500-T503 PolarHBondContact OG-OG1 2.89Å; R501-T503 PolarHBondContact O-N 3.17Å; T503-K506 WeakPolarHBondContact O-CB 3.35Å; T503-K506 PolarHBondContact O-N 3.21Å; T503-Q507 WeakPolarHBondContact O-CG 3.42Å; T503-Q507 PolarHBondContact O-N 3.11Å
504L95.3Very high94.8Very high2 Ų257.8 Ų57.81%0.0128%0.282CS..Hα-helixtrans-61.4-48.2177.5-17961.2000112.2L425 L429 Y497 S500 R501 K506 Q507 I508L425-L504 HydrophobicContact CD2-CD1 3.57Å; L429-L504 HydrophobicContact CB-CD2 4.14Å; L429-L504 HydrophobicContact CD1-CD2 4.41Å; Y497-L504 HydrophobicContact CD1-CD1 4.46Å; Y497-L504 HydrophobicContact CD1-CD2 4.48Å; Y497-L504 HydrophobicContact CE1-CB 3.86Å; Y497-L504 HydrophobicContact CE1-CD1 3.95Å; Y497-L504 HydrophobicContact CE1-CD2 4.35Å; Y497-L504 HydrophobicContact CE1-CG 4.27Å; Y497-L504 HydrophobicContact CE2-CD1 4.17Å; S500-L504 PolarHBondContact O-N 2.7Å; R501-L504 WeakPolarHBondContact O-CB 3.47Å; R501-L504 PolarHBondContact O-N 3.46Å; L504-K506 VanDerWaalsContact C-N 3.29Å; L504-K506 PolarHBondContact O-N 3.37Å; L504-Q507 WeakPolarHBondContact O-CB 3.47Å; L504-Q507 PolarHBondContact O-N 3.28Å; L504-Q507 VanDerWaalsContact O-N 3.11Å; L504-I508 HydrophobicContact CD1-CD1 4.42Å; L504-I508 HydrophobicContact CG-CD1 4.17Å; L504-I508 WeakPolarHBondContact O-CG1 3.43Å; L504-I508 PolarHBondContact O-N 3.22Å
505I95.8Very high94.9Very high42 Ų4257.8 Ų57.822%0.21528%0.281CS..Hα-helixtrans-60.1-41176.3-67.5166.2000110.7R501 Q507 I508 N509R501-I505 HydrophobicContact CG-CD1 4.08Å; R501-I505 WeakPolarHBondContact O-CG1 3.47Å; R501-I505 PolarHBondContact O-N 3.42Å; I505-Q507 VanDerWaalsContact C-N 3.35Å; I505-Q507 PolarHBondContact O-N 2.87Å; I505-I508 PolarHBondContact O-N 3.4Å; I505-N509 PolarHBondContact O-N 3.12Å
506K96.7Very high95.1Very high140 Ų14059.1 Ų59.161%0.60929%0.287SS*.Hα-helixtrans-59.8-44.3174.5-173.8-179.3179.7-178.70111.7K502 T503 L504 I508 N509 N510K502-K506 PolarHBondContact O-N 3.47Å; K502-K506 VanDerWaalsContact O-N 3.11Å; T503-K506 WeakPolarHBondContact O-CB 3.35Å; T503-K506 PolarHBondContact O-N 3.21Å; L504-K506 VanDerWaalsContact C-N 3.29Å; L504-K506 PolarHBondContact O-N 3.37Å; K506-I508 VanDerWaalsContact C-N 3.34Å; K506-N509 PolarHBondContact O-N 3.31Å; K506-N510 VanDerWaalsContact O-CG 3.25Å; K506-N510 PolarHBondContact O-N 2.83Å; K506-N510 PolarHBondContact O-OD1 2.87Å
507Q96.8Very high95.3Very high47 Ų4762.6 Ų62.622%0.2231%0.311CS..Hα-helixtrans-64.3-39177.5-71.9172.34.500112.3L425 Y497 Q499 T503 L504 I505 N510 Y511L425-Q507 HydrophobicContact CD1-CB 4.5Å; L425-Q507 HydrophobicContact CD2-CB 3.76Å; Y497-Q507 PolarHBondContact OH-NE2 3.32Å; Y497-Q507 PolarHBondContact OH-OE1 3.07Å; Q499-Q507 VanDerWaalsContact OE1-NE2 3.12Å; T503-Q507 WeakPolarHBondContact O-CG 3.42Å; T503-Q507 PolarHBondContact O-N 3.11Å; L504-Q507 WeakPolarHBondContact O-CB 3.47Å; L504-Q507 PolarHBondContact O-N 3.28Å; L504-Q507 VanDerWaalsContact O-N 3.11Å; I505-Q507 VanDerWaalsContact C-N 3.35Å; I505-Q507 PolarHBondContact O-N 2.87Å; Q507-N510 PolarHBondContact O-N 3.46Å; Q507-Y511 WeakPolarHBondContact O-CB 3.36Å; Q507-Y511 PolarHBondContact O-N 3.01Å
508I96.9Very high95.5Very high1 Ų163.4 Ų63.41%0.00532%0.318CS..Hα-helixtrans-61.9-47.6174.5-69.8168.2000110.6L425 L429 L504 I505 K506 N510 Y511 K512 L558L425-I508 HydrophobicContact CB-CG1 3.9Å; L425-I508 HydrophobicContact CD1-CG1 4.23Å; L425-I508 HydrophobicContact CD2-CG1 4.28Å; L425-I508 HydrophobicContact CG-CG1 4.37Å; L429-I508 HydrophobicContact CB-CD1 4.02Å; L429-I508 HydrophobicContact CD1-CD1 4.42Å; L429-I508 HydrophobicContact CD2-CD1 3.82Å; L429-I508 HydrophobicContact CG-CD1 4.3Å; L504-I508 HydrophobicContact CD1-CD1 4.42Å; L504-I508 HydrophobicContact CG-CD1 4.17Å; L504-I508 WeakPolarHBondContact O-CG1 3.43Å; L504-I508 PolarHBondContact O-N 3.22Å; I505-I508 PolarHBondContact O-N 3.4Å; K506-I508 VanDerWaalsContact C-N 3.34Å; I508-N510 VanDerWaalsContact C-N 3.34Å; I508-N510 PolarHBondContact O-N 3.19Å; I508-Y511 PolarHBondContact O-N 3.37Å; I508-K512 HydrophobicContact CG2-CD 4.33Å; I508-K512 HydrophobicContact CG2-CG 4.5Å; I508-K512 WeakPolarHBondContact O-CG 3.4Å; I508-K512 PolarHBondContact O-N 3.46Å; I508-L558 HydrophobicContact CD1-CD1 4.1Å; I508-L558 HydrophobicContact CG1-CD1 4.16Å; I508-L558 HydrophobicContact CG2-CD1 3.81Å; I508-L558 HydrophobicContact CG2-CG 4.32Å
509N96.9Very high95.8Very high68 Ų6860.7 Ų60.736%0.36430%0.299SS..Hα-helixtrans-63.4-40.6179.4-70.1-16.6000111.9I505 K506 Y511 K512 Q513I505-N509 PolarHBondContact O-N 3.12Å; K506-N509 PolarHBondContact O-N 3.31Å; N509-Y511 VanDerWaalsContact C-N 3.34Å; N509-Y511 PolarHBondContact O-N 2.98Å; N509-K512 PolarHBondContact O-N 2.93Å; N509-Q513 WeakPolarHBondContact O-CG 3.41Å; N509-Q513 PolarHBondContact O-N 3.45Å
510N97.5Very high96.1Very high71 Ų7160.7 Ų60.738%0.3830%0.302SS..Hα-helixtrans-61.6-42.5174.3-70.46.2000111.6K506 Q507 I508 Q513 E514K506-N510 VanDerWaalsContact O-CG 3.25Å; K506-N510 PolarHBondContact O-N 2.83Å; K506-N510 PolarHBondContact O-OD1 2.87Å; Q507-N510 PolarHBondContact O-N 3.46Å; I508-N510 VanDerWaalsContact C-N 3.34Å; I508-N510 PolarHBondContact O-N 3.19Å; N510-Q513 PolarHBondContact O-N 3.11Å; N510-E514 PolarHBondContact O-N 3.2Å
511Y97.3Very high96.3Very high0 Ų065.6 Ų65.60%032%0.318CS..Hα-helixtrans-65.6-41.5177.2-178.1-96.6000112.2P417 A422 L425 Q507 I508 N509 Q513 E514 F515 L555 L558 L559P417-Y511 WeakPolarHBondContact O-CE2 3.48Å; P417-Y511 VanDerWaalsContact O-CZ 3.31Å; P417-Y511 PolarHBondContact O-OH 3.38Å; A422-Y511 HydrophobicContact CB-CD1 4.18Å; A422-Y511 HydrophobicContact CB-CE1 3.41Å; A422-Y511 VanDerWaalsContact CB-CE1 3.41Å; A422-Y511 HydrophobicContact CB-CE2 4.18Å; A422-Y511 VanDerWaalsContact CB-CZ 3.43Å; A422-Y511 WeakPolarHBondContact CB-OH 3.46Å; L425-Y511 HydrophobicContact CD1-CG 4.39Å; Q507-Y511 WeakPolarHBondContact O-CB 3.36Å; Q507-Y511 PolarHBondContact O-N 3.01Å; I508-Y511 PolarHBondContact O-N 3.37Å; N509-Y511 VanDerWaalsContact C-N 3.34Å; N509-Y511 PolarHBondContact O-N 2.98Å; Y511-Q513 VanDerWaalsContact C-N 3.3Å; Y511-Q513 PolarHBondContact O-N 2.88Å; Y511-E514 PolarHBondContact O-N 3.3Å; Y511-F515 HydrophobicContact CE1-CD2 4.19Å; Y511-F515 WeakPolarHBondContact O-CB 3.28Å; Y511-F515 PolarHBondContact O-N 3.35Å; Y511-L555 HydrophobicContact CE1-CD1 4.13Å; Y511-L558 HydrophobicContact CD1-CD2 4.36Å; Y511-L559 HydrophobicContact CD1-CD2 4.38Å; Y511-L559 HydrophobicContact CE1-CD2 4.25Å
512K97Very high96.5Very high39 Ų3962.7 Ų62.717%0.1731%0.312CS..Hα-helixtrans-56.5-46.5173.5-74.2-179.2179.1-158.30111.2I508 N509 F515 F516 L558 L559I508-K512 HydrophobicContact CG2-CD 4.33Å; I508-K512 HydrophobicContact CG2-CG 4.5Å; I508-K512 WeakPolarHBondContact O-CG 3.4Å; I508-K512 PolarHBondContact O-N 3.46Å; N509-K512 PolarHBondContact O-N 2.93Å; K512-F515 PolarHBondContact O-N 3.28Å; K512-F516 HydrophobicContact CB-CD2 4.31Å; K512-F516 HydrophobicContact CB-CE2 4.21Å; K512-F516 WeakPolarHBondContact O-CB 3.36Å; K512-F516 WeakPolarHBondContact O-CD2 2.8Å; K512-F516 WeakPolarHBondContact O-CG 3.47Å; K512-F516 PolarHBondContact O-N 2.77Å; K512-L558 WeakPolarHBondContact CE-O 3.27Å; K512-L558 PolarHBondContact NZ-O 2.97Å; K512-L559 HydrophobicContact CG-CD2 4.02Å
513Q97.1Very high96.6Very high125 Ų12556 Ų5658%0.58429%0.294SS*.Hα-helixtrans-60.5-49.6177.6-72.8173.3-11.700111.4N509 N510 Y511 F515 F516 S517N509-Q513 WeakPolarHBondContact O-CG 3.41Å; N509-Q513 PolarHBondContact O-N 3.45Å; N510-Q513 PolarHBondContact O-N 3.11Å; Y511-Q513 VanDerWaalsContact C-N 3.3Å; Y511-Q513 PolarHBondContact O-N 2.88Å; Q513-F515 VanDerWaalsContact C-N 3.34Å; Q513-F515 PolarHBondContact O-N 3.2Å; Q513-F516 PolarHBondContact O-N 3.45Å; Q513-S517 VanDerWaalsContact O-CB 3.27Å; Q513-S517 WeakPolarHBondContact O-CB 3.15Å; Q513-S517 PolarHBondContact O-N 2.83Å; Q513-S517 PolarHBondContact O-OG 3.34Å; Q513-S517 VanDerWaalsContact O-OG 3.09Å
514E97.2Very high96.7Very high75 Ų7553.6 Ų53.635%0.3528%0.279SS..Hα-helixtrans-54.2-48.4176-176.2-176165.100111.9P417 R421 N510 Y511 S517 L518P417-E514 HydrophobicContact CB-CG 4.29Å; R421-E514 IonicContact NH1-OE2 2.65Å; R421-E514 PolarHBondContact NH1-OE2 3.36Å; N510-E514 PolarHBondContact O-N 3.2Å; Y511-E514 PolarHBondContact O-N 3.3Å; E514-S517 PolarHBondContact O-N 3.36Å; E514-L518 PolarHBondContact O-N 3.38Å; E514-L518 VanDerWaalsContact O-N 3.12Å
515F97.1Very high96.8Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-62.2-49.3179.5-163.8-79.6000112.6F414 L416 P417 Y511 K512 Q513 L518 W519 L527 L555 L559F414-F515 HydrophobicContact CE1-CE1 4.41Å; F414-F515 HydrophobicContact CE1-CZ 4.03Å; L416-F515 HydrophobicContact CD2-CE2 3.77Å; L416-F515 HydrophobicContact CD2-CZ 3.8Å; P417-F515 HydrophobicContact CG-CB 4.18Å; P417-F515 HydrophobicContact CG-CD2 3.53Å; P417-F515 HydrophobicContact CG-CE2 4.21Å; P417-F515 HydrophobicContact CG-CG 4.14Å; Y511-F515 HydrophobicContact CE1-CD2 4.19Å; Y511-F515 WeakPolarHBondContact O-CB 3.28Å; Y511-F515 PolarHBondContact O-N 3.35Å; K512-F515 PolarHBondContact O-N 3.28Å; Q513-F515 VanDerWaalsContact C-N 3.34Å; Q513-F515 PolarHBondContact O-N 3.2Å; F515-L518 PolarHBondContact O-N 3.3Å; F515-W519 AromaticContact CD1-CE3 3.9Å; F515-W519 HydrophobicContact CD1-CE3 3.9Å; F515-W519 HydrophobicContact CD1-CZ3 4.47Å; F515-W519 HydrophobicContact CE1-CD2 4.47Å; F515-W519 AromaticContact CE1-CE3 3.44Å; F515-W519 HydrophobicContact CE1-CE3 3.44Å; F515-W519 VanDerWaalsContact CE1-CE3 3.44Å; F515-W519 AromaticContact CE1-CZ3 3.74Å; F515-W519 HydrophobicContact CE1-CZ3 3.74Å; F515-W519 WeakPolarHBondContact O-CB 3.3Å; F515-W519 PolarHBondContact O-N 3.14Å; F515-L527 HydrophobicContact CE1-CD1 4.2Å; F515-L527 HydrophobicContact CZ-CD1 4.09Å; F515-L555 HydrophobicContact CE2-CD1 4.36Å; F515-L555 HydrophobicContact CE2-CD2 4.17Å; F515-L555 HydrophobicContact CZ-CD2 4.46Å; F515-L559 HydrophobicContact CB-CD2 4Å; F515-L559 HydrophobicContact CD1-CD1 3.58Å; F515-L559 HydrophobicContact CD1-CD2 4.27Å; F515-L559 HydrophobicContact CD2-CD1 4.02Å; F515-L559 HydrophobicContact CD2-CD2 4.49Å; F515-L559 HydrophobicContact CE1-CD1 3.53Å; F515-L559 HydrophobicContact CE2-CD1 3.98Å; F515-L559 HydrophobicContact CG-CD1 3.85Å; F515-L559 HydrophobicContact CG-CD2 4.01Å; F515-L559 HydrophobicContact CZ-CD1 3.74Å
516F97.4Very high96.9Very high43 Ų4353.7 Ų53.719%0.18928%0.28CS..Hα-helixtrans-71.8-31.9-178.6-68.8-53.3000112.7K512 Q513 W519 N520 L559 P616K512-F516 HydrophobicContact CB-CD2 4.31Å; K512-F516 HydrophobicContact CB-CE2 4.21Å; K512-F516 WeakPolarHBondContact O-CB 3.36Å; K512-F516 WeakPolarHBondContact O-CD2 2.8Å; K512-F516 WeakPolarHBondContact O-CG 3.47Å; K512-F516 PolarHBondContact O-N 2.77Å; Q513-F516 PolarHBondContact O-N 3.45Å; F516-W519 HydrophobicContact CD1-CE3 4.19Å; F516-W519 HydrophobicContact CE1-CE3 4.25Å; F516-W519 HydrophobicContact CE1-CZ3 4.46Å; F516-W519 PolarHBondContact O-N 2.98Å; F516-N520 VanDerWaalsContact O-CB 3.31Å; F516-N520 WeakPolarHBondContact O-CB 3.43Å; F516-N520 PolarHBondContact O-N 3.07Å; F516-N520 PolarHBondContact O-ND2 2.77Å; F516-L559 HydrophobicContact CZ-CB 4.19Å; F516-P616 HydrophobicContact CE1-CG 4.41Å; F516-P616 HydrophobicContact CZ-CG 3.89Å
517S97.2Very high96.9Very high75 Ų7547 Ų4752%0.52425%0.251SS..Hα-helixtrans-60.1-48.9171.9-75.60000110.9Q513 E514 N520 E521Q513-S517 VanDerWaalsContact O-CB 3.27Å; Q513-S517 WeakPolarHBondContact O-CB 3.15Å; Q513-S517 PolarHBondContact O-N 2.83Å; Q513-S517 PolarHBondContact O-OG 3.34Å; Q513-S517 VanDerWaalsContact O-OG 3.09Å; E514-S517 PolarHBondContact O-N 3.36Å; S517-N520 PolarHBondContact O-N 2.89Å; S517-E521 WeakPolarHBondContact O-CB 3.27Å; S517-E521 PolarHBondContact O-N 2.72Å
518L96.7Very high97Very high51 Ų5144.8 Ų44.827%0.26724%0.24SC..Hα-helixtrans-63.2-44176.7-177.165.8000111.8F414 P417 E514 F515 N520 E521 V522F414-L518 HydrophobicContact CE2-CD2 4.08Å; F414-L518 HydrophobicContact CE2-CG 3.96Å; F414-L518 HydrophobicContact CZ-CD2 4.04Å; F414-L518 HydrophobicContact CZ-CG 4.19Å; P417-L518 HydrophobicContact CB-CD2 4.32Å; P417-L518 HydrophobicContact CG-CD2 4.15Å; E514-L518 PolarHBondContact O-N 3.38Å; E514-L518 VanDerWaalsContact O-N 3.12Å; F515-L518 PolarHBondContact O-N 3.3Å; L518-N520 VanDerWaalsContact C-N 3.3Å; L518-N520 PolarHBondContact O-N 2.71Å; L518-E521 PolarHBondContact O-N 2.84Å; L518-V522 HydrophobicContact CD1-CG2 4.44Å; L518-V522 WeakPolarHBondContact O-CG2 3.49Å; L518-V522 PolarHBondContact O-N 3.41Å; L518-V522 VanDerWaalsContact O-N 3.09Å
519W96.7Very high97Very high0 Ų044.8 Ų44.80%024%0.24CC..Hα-helixtrans-58.5-43.5176.2-166-25.5000111.1F414 F515 F516 G523 L524 L527 V613 K615F414-W519 HydrophobicContact CZ-CB 4.49Å; F515-W519 AromaticContact CD1-CE3 3.9Å; F515-W519 HydrophobicContact CD1-CE3 3.9Å; F515-W519 HydrophobicContact CD1-CZ3 4.47Å; F515-W519 HydrophobicContact CE1-CD2 4.47Å; F515-W519 AromaticContact CE1-CE3 3.44Å; F515-W519 HydrophobicContact CE1-CE3 3.44Å; F515-W519 VanDerWaalsContact CE1-CE3 3.44Å; F515-W519 AromaticContact CE1-CZ3 3.74Å; F515-W519 HydrophobicContact CE1-CZ3 3.74Å; F515-W519 WeakPolarHBondContact O-CB 3.3Å; F515-W519 PolarHBondContact O-N 3.14Å; F516-W519 HydrophobicContact CD1-CE3 4.19Å; F516-W519 HydrophobicContact CE1-CE3 4.25Å; F516-W519 HydrophobicContact CE1-CZ3 4.46Å; F516-W519 PolarHBondContact O-N 2.98Å; W519-G523 PolarHBondContact O-N 3.4Å; W519-G523 VanDerWaalsContact O-N 3.16Å; W519-L524 VanDerWaalsContact CD1-O 3.25Å; W519-L524 PolarHBondContact NE1-O 3.04Å; W519-L524 PolarHBondContact O-N 3.29Å; W519-L527 HydrophobicContact CD2-CD1 4.43Å; W519-L527 HydrophobicContact CE3-CD1 4.11Å; W519-L527 HydrophobicContact CH2-CB 4.45Å; W519-L527 HydrophobicContact CH2-CD1 3.65Å; W519-L527 HydrophobicContact CH2-CG 3.67Å; W519-L527 HydrophobicContact CZ2-CD1 4.06Å; W519-L527 HydrophobicContact CZ2-CD2 4.45Å; W519-L527 HydrophobicContact CZ2-CG 3.63Å; W519-L527 HydrophobicContact CZ3-CD1 3.68Å; W519-L527 HydrophobicContact CZ3-CG 4.2Å; W519-V613 HydrophobicContact CH2-CG1 4.17Å; W519-K615 HydrophobicContact CD2-CG 4Å; W519-K615 HydrophobicContact CE3-CG 4.18Å; W519-K615 HydrophobicContact CH2-CG 4.33Å; W519-K615 HydrophobicContact CZ2-CG 4.07Å; W519-K615 HydrophobicContact CZ3-CG 4.37Å; W519-K615 VanDerWaalsContact NE1-CE 3.32Å
520N96.5Very high97Very high98 Ų9841.5 Ų41.552%0.52422%0.223SC..Hα-helixtrans-67.6-40177.6-71.7-23.3000112.7F516 S517 L518 G523 K615F516-N520 VanDerWaalsContact O-CB 3.31Å; F516-N520 WeakPolarHBondContact O-CB 3.43Å; F516-N520 PolarHBondContact O-N 3.07Å; F516-N520 PolarHBondContact O-ND2 2.77Å; S517-N520 PolarHBondContact O-N 2.89Å; L518-N520 VanDerWaalsContact C-N 3.3Å; L518-N520 PolarHBondContact O-N 2.71Å; N520-G523 WeakPolarHBondContact O-CA 3.32Å; N520-G523 PolarHBondContact O-N 3.38Å; N520-G523 VanDerWaalsContact O-N 3.09Å; N520-K615 WeakPolarHBondContact OD1-CE 3.49Å; N520-K615 PolarHBondContact OD1-NZ 3.21Å
521E96.3Very high97Very high162 Ų16238.1 Ų38.176%0.75721%0.205SC*.Hα-helixtrans-61.8-43.2178.9-176.5178.617800112.1S517 L518 G523S517-E521 WeakPolarHBondContact O-CB 3.27Å; S517-E521 PolarHBondContact O-N 2.72Å; L518-E521 PolarHBondContact O-N 2.84Å; E521-G523 PolarHBondContact O-N 3.09Å
522V95.9Very high96.9Very high45 Ų4538.4 Ų38.427%0.27321%0.207SC..Hα-helixtrans-72.4-21.4175.8-175.50000111.6K376 F414 L518 L524K376-V522 WeakPolarHBondContact CE-O 3.41Å; K376-V522 PolarHBondContact NZ-O 3.12Å; F414-V522 HydrophobicContact CD2-CG2 4.46Å; F414-V522 HydrophobicContact CE2-CG2 4.29Å; L518-V522 HydrophobicContact CD1-CG2 4.44Å; L518-V522 WeakPolarHBondContact O-CG2 3.49Å; L518-V522 PolarHBondContact O-N 3.41Å; L518-V522 VanDerWaalsContact O-N 3.09Å; V522-L524 HydrophobicContact CB-CD1 4.33Å; V522-L524 HydrophobicContact CB-CD2 4.47Å; V522-L524 HydrophobicContact CB-CG 3.97Å; V522-L524 HydrophobicContact CG1-CD1 4.06Å; V522-L524 HydrophobicContact CG1-CD2 3.59Å; V522-L524 HydrophobicContact CG1-CG 3.62Å
523G95.3Very high96.8Very high39 Ų3936.6 Ų36.640%0.40220%0.199SC..THydrogen-bonded Turntrans74.430.2178.200000113.8W519 N520 E521W519-G523 PolarHBondContact O-N 3.4Å; W519-G523 VanDerWaalsContact O-N 3.16Å; N520-G523 WeakPolarHBondContact O-CA 3.32Å; N520-G523 PolarHBondContact O-N 3.38Å; N520-G523 VanDerWaalsContact O-N 3.09Å; E521-G523 PolarHBondContact O-N 3.09Å
524L97Very high96.7Very high2 Ų230.8 Ų30.81%0.0117%0.172CC..  trans-77.4141.6-178.2-50.9168.2000111.5K376 V412 F414 W519 V522 L527 K615K376-L524 HydrophobicContact CD-CD2 4.21Å; K376-L524 HydrophobicContact CG-CD2 3.89Å; V412-L524 HydrophobicContact CB-CD2 4.43Å; F414-L524 HydrophobicContact CB-CD1 4.1Å; F414-L524 HydrophobicContact CD1-CD1 4.48Å; F414-L524 HydrophobicContact CD2-CD1 3.33Å; F414-L524 HydrophobicContact CE2-CD1 3.78Å; F414-L524 HydrophobicContact CG-CD1 3.73Å; W519-L524 VanDerWaalsContact CD1-O 3.25Å; W519-L524 PolarHBondContact NE1-O 3.04Å; W519-L524 PolarHBondContact O-N 3.29Å; V522-L524 HydrophobicContact CB-CD1 4.33Å; V522-L524 HydrophobicContact CB-CD2 4.47Å; V522-L524 HydrophobicContact CB-CG 3.97Å; V522-L524 HydrophobicContact CG1-CD1 4.06Å; V522-L524 HydrophobicContact CG1-CD2 3.59Å; V522-L524 HydrophobicContact CG1-CG 3.62Å; L524-L527 HydrophobicContact CD1-CD2 3.72Å; L524-K615 PolarHBondContact O-NZ 2.83Å
525D97.1Very high96.6Very high47 Ų4727.5 Ų27.525%0.25116%0.157SC..SBendtrans-80.4-46.3172.2-65.9-57.9000111.1L375 K376 L621L375-D525 VanDerWaalsContact CA-OD2 3.32Å; L375-D525 WeakPolarHBondContact CA-OD2 3.17Å; L375-D525 HydrophobicContact CB-CB 4.27Å; L375-D525 HydrophobicContact CD2-CB 4.15Å; K376-D525 PolarHBondContact N-OD2 3.2Å; K376-D525 PolarHBondContact O-N 3.45Å; D525-L621 HydrophobicContact CB-CD1 4.37Å; D525-L621 HydrophobicContact CB-CD2 4.41Å
526V97.8Very high96.6Very high0 Ų027.5 Ų27.50%016%0.157CC..EExtended strand (participates in β ladder)trans-143.9161.8-174.7-73.30000112.2L375 I377 G378 V612 V613 A614 L621 L625L375-V526 HydrophobicContact CD1-CG2 4.44Å; I377-V526 HydrophobicContact CB-CG2 4.35Å; I377-V526 HydrophobicContact CG1-CG2 3.82Å; I377-V526 HydrophobicContact CG2-CG2 4.27Å; G378-V526 PolarHBondContact N-O 2.96Å; V526-V612 HydrophobicContact CB-CG1 4.43Å; V526-V612 HydrophobicContact CG1-CG1 4.43Å; V526-V613 CarbonylContact C-O 3.5Å; V526-V613 VanDerWaalsContact CA-O 3.27Å; V526-V613 WeakPolarHBondContact CA-O 3.28Å; V526-V613 WeakPolarHBondContact CB-O 3.45Å; V526-A614 HydrophobicContact CG1-CB 4.01Å; V526-L621 HydrophobicContact CB-CD2 4.43Å; V526-L621 HydrophobicContact CG1-CD2 3.13Å; V526-L621 HydrophobicContact CG1-CG 4.5Å; V526-L625 HydrophobicContact CB-CD2 4.47Å; V526-L625 HydrophobicContact CG2-CD2 3.56Å
527L97.8Very high96.6Very high0 Ų025.5 Ų25.50%015%0.149CC..EExtended strand (participates in β ladder)trans-110.6140.8167.7-58176000110.3G378 F414 F515 W519 L524 Y556 V612 V613G378-L527 CarbonylContact O-C 3.48Å; G378-L527 VanDerWaalsContact O-CA 3.27Å; G378-L527 WeakPolarHBondContact O-CA 3.34Å; F414-L527 HydrophobicContact CB-CD2 4.19Å; F414-L527 HydrophobicContact CD1-CD1 4.13Å; F414-L527 HydrophobicContact CD1-CD2 3.53Å; F414-L527 HydrophobicContact CD1-CG 4.49Å; F414-L527 HydrophobicContact CE1-CD1 4.03Å; F414-L527 HydrophobicContact CE1-CD2 4.02Å; F414-L527 HydrophobicContact CG-CD2 3.89Å; F515-L527 HydrophobicContact CE1-CD1 4.2Å; F515-L527 HydrophobicContact CZ-CD1 4.09Å; W519-L527 HydrophobicContact CD2-CD1 4.43Å; W519-L527 HydrophobicContact CE3-CD1 4.11Å; W519-L527 HydrophobicContact CH2-CB 4.45Å; W519-L527 HydrophobicContact CH2-CD1 3.65Å; W519-L527 HydrophobicContact CH2-CG 3.67Å; W519-L527 HydrophobicContact CZ2-CD1 4.06Å; W519-L527 HydrophobicContact CZ2-CD2 4.45Å; W519-L527 HydrophobicContact CZ2-CG 3.63Å; W519-L527 HydrophobicContact CZ3-CD1 3.68Å; W519-L527 HydrophobicContact CZ3-CG 4.2Å; L524-L527 HydrophobicContact CD1-CD2 3.72Å; L527-Y556 HydrophobicContact CD1-CE1 4.18Å; L527-V612 WeakPolarHBondContact O-CA 3.31Å; L527-V613 HydrophobicContact CB-CB 4.34Å; L527-V613 PolarHBondContact N-O 3.4Å; L527-V613 PolarHBondContact O-N 3.16Å
528V97.6Very high96.6Very high0 Ų025.2 Ų25.20%014%0.136CC..EExtended strand (participates in β ladder)trans-119.7126170.7177.70000108.4I377 G378 F379 Y380 M397 I400 L404 V610 Q611 V612 L625I377-V528 HydrophobicContact CG2-CB 4.05Å; I377-V528 HydrophobicContact CG2-CG2 3.49Å; I377-V528 VanDerWaalsContact CG2-CG2 3.49Å; G378-V528 PolarHBondContact O-N 2.98Å; F379-V528 HydrophobicContact CD2-CB 3.96Å; F379-V528 HydrophobicContact CD2-CG1 4.07Å; F379-V528 HydrophobicContact CE2-CB 4.2Å; F379-V528 HydrophobicContact CE2-CG1 3.78Å; Y380-V528 PolarHBondContact N-O 3.2Å; M397-V528 HydrophobicContact CE-CG1 3.97Å; I400-V528 HydrophobicContact CG2-CG1 4.29Å; L404-V528 HydrophobicContact CD1-CG2 4.37Å; V528-V610 HydrophobicContact CG1-CG1 3.86Å; V528-Q611 WeakPolarHBondContact CA-O 3.32Å; V528-V612 HydrophobicContact CG2-CG2 4.26Å; V528-L625 HydrophobicContact CG2-CD2 4.01Å
529C96.9Very high96.5Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans-151.1163-177.959.30000110.9Y380 Y556 Q611Y380-C529 HydrophobicContact CD1-CB 4.03Å; Y380-C529 HydrophobicContact CD2-CB 4.22Å; Y380-C529 HydrophobicContact CE1-CB 3.49Å; Y380-C529 VanDerWaalsContact CE1-CB 3.49Å; Y380-C529 HydrophobicContact CE2-CB 3.68Å; Y380-C529 HydrophobicContact CG-CB 4.36Å; Y380-C529 WeakPolarHBondContact O-CA 3.43Å; Y380-C529 WeakPolarHBondContact O-CB 3.32Å; Y380-C529 PolarHBondContact OH-SG 2.94Å; Y380-C529 VanDerWaalsContact OH-SG 3.36Å; C529-Y556 PolarHBondContact SG-OH 2.94Å; C529-Q611 PolarHBondContact N-O 2.6Å; C529-Q611 WeakPolarHBondContact O-CA 3.37Å; C529-Q611 WeakPolarHBondContact O-CB 3.27Å; C529-Q611 PolarHBondContact O-N 3.13Å; C529-Q611 PolarHBondContact SG-NE2 2.79Å; C529-Q611 VanDerWaalsContact SG-NE2 3.36Å
530P97.1Very high96.3Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-59.9147.9171-22.932.9000111.9Y380 V393 M397 A532 F552Y380-P530 WeakPolarHBondContact O-CD 3.39Å; V393-P530 HydrophobicContact CG1-CB 3.62Å; V393-P530 HydrophobicContact CG1-CG 3.5Å; V393-P530 VanDerWaalsContact CG1-CG 3.5Å; M397-P530 HydrophobicContact CE-CG 4.34Å; M397-P530 HydrophobicContact CG-CG 3.81Å; M397-P530 HydrophobicContact SD-CG 3.86Å; P530-A532 VanDerWaalsContact C-N 3.32Å; P530-A532 WeakPolarHBondContact CB-O 3.39Å; P530-F552 HydrophobicContact CB-CD1 4.01Å; P530-F552 HydrophobicContact CB-CE1 3.98Å; P530-F552 HydrophobicContact CG-CD1 4.46Å; P530-F552 HydrophobicContact CG-CE1 4.03Å; P530-F552 VanDerWaalsContact O-CD1 3.27Å; P530-F552 WeakPolarHBondContact O-CD1 3.42Å
531T97.5Very high96.1Very high0 Ų025.8 Ų25.80%014%0.14CC..SBendtrans-75.2-29.5169-48.50000111.2R289 L290 A293 F552 T553 T565 G609 V610R289-T531 HydrophobicContact CB-CG2 4.22Å; L290-T531 HydrophobicContact CD2-CG2 4.15Å; A293-T531 HydrophobicContact CB-CG2 3.82Å; T531-F552 WeakPolarHBondContact O-CB 3.38Å; T531-T553 HydrophobicContact CG2-CG2 3.98Å; T531-T565 PolarHBondContact OG1-OG1 3.27Å; T531-G609 PolarHBondContact N-O 3.32Å; T531-G609 VanDerWaalsContact OG1-C 3.28Å; T531-G609 PolarHBondContact OG1-O 2.94Å; T531-V610 VanDerWaalsContact OG1-C 3.27Å; T531-V610 PolarHBondContact OG1-N 2.8Å; T531-V610 PolarHBondContact OG1-O 3.12Å
532A96.5Very high95.8Very high6 Ų620.4 Ų20.45%0.0512%0.119CC..  trans-148.9153176.900000109.7L290 F294 P530 I534 V549L290-A532 HydrophobicContact CD2-CB 4.18Å; F294-A532 HydrophobicContact CE1-CB 3.93Å; F294-A532 HydrophobicContact CZ-CB 4.46Å; P530-A532 VanDerWaalsContact C-N 3.32Å; P530-A532 WeakPolarHBondContact CB-O 3.39Å; A532-I534 WeakPolarHBondContact CB-O 3.44Å; A532-I534 PolarHBondContact O-N 3.36Å; A532-V549 HydrophobicContact CB-CG1 4.06Å
533P94.4Very high95.5Very high0 Ų020.8 Ų20.80%012%0.124CC..SBendtrans-72.9-19.7178.929.4-32.6000112.7V387 A389 S390 C548 V549 F552 F596V387-P533 HydrophobicContact CG1-CB 3.66Å; V387-P533 HydrophobicContact CG1-CG 3.9Å; A389-P533 WeakPolarHBondContact CA-O 3.47Å; S390-P533 WeakPolarHBondContact CB-O 3.46Å; S390-P533 PolarHBondContact N-O 2.94Å; S390-P533 PolarHBondContact OG-O 3.36Å; P533-C548 HydrophobicContact CG-CB 4.43Å; P533-V549 HydrophobicContact CG-CG2 4.47Å; P533-F552 HydrophobicContact CB-CD2 4.37Å; P533-F552 HydrophobicContact CB-CE2 3.59Å; P533-F552 HydrophobicContact CB-CZ 3.88Å; P533-F552 HydrophobicContact CG-CD2 4.14Å; P533-F552 HydrophobicContact CG-CE2 3.75Å; P533-F596 HydrophobicContact CG-CZ 4.36Å
534I94.4Very high95.3Very high4 Ų423 Ų232%0.02112%0.121CC..SBendtrans-135.3156.1-177.959.1170.1000109.4A532 P537 V545 V549 F596 Q599A532-I534 WeakPolarHBondContact CB-O 3.44Å; A532-I534 PolarHBondContact O-N 3.36Å; I534-P537 HydrophobicContact CD1-CB 4.05Å; I534-V545 HydrophobicContact CD1-CG1 3.67Å; I534-V549 HydrophobicContact CG1-CG2 4.24Å; I534-F596 HydrophobicContact CD1-CD1 4.48Å; I534-F596 HydrophobicContact CD1-CE1 4.43Å; I534-F596 HydrophobicContact CG2-CD1 4.38Å; I534-F596 HydrophobicContact CG2-CD2 3.86Å; I534-F596 HydrophobicContact CG2-CE1 4.49Å; I534-F596 HydrophobicContact CG2-CE2 4Å; I534-F596 HydrophobicContact CG2-CG 4.06Å; I534-F596 HydrophobicContact CG2-CZ 4.32Å; I534-Q599 HydrophobicContact CD1-CB 4.02Å; I534-Q599 HydrophobicContact CD1-CG 4.15Å
535P95.8Very high95.2Very high6 Ų622.9 Ų22.94%0.03912%0.12CC..SBendtrans-60.1175.4166.829.4-38.4000111.1P537 V571 Y600 L606P535-P537 WeakPolarHBondContact O-CD 3.42Å; P535-V571 HydrophobicContact CB-CG2 3.92Å; P535-V571 HydrophobicContact CG-CG2 3.81Å; P535-Y600 HydrophobicContact CG-CD2 4.15Å; P535-Y600 HydrophobicContact CG-CE2 3.94Å; P535-L606 HydrophobicContact CB-CB 3.85Å; P535-L606 HydrophobicContact CB-CD1 4.07Å
536A97.4Very high95.1Very high0 Ų021.1 Ų21.10%011%0.111CC..SBendtrans-46.6114.5-177.800000111.7R261 F294 L606R261-A536 HydrophobicContact CB-CB 4.16Å; R261-A536 WeakPolarHBondContact CD-O 3.32Å; R261-A536 PolarHBondContact NH1-O 3.46Å; F294-A536 HydrophobicContact CB-CB 3.77Å; F294-A536 HydrophobicContact CD1-CB 4.02Å; F294-A536 HydrophobicContact CD2-CB 4.25Å; F294-A536 HydrophobicContact CG-CB 3.77Å; A536-L606 HydrophobicContact CB-CD1 4.27Å; A536-L606 HydrophobicContact CB-CD2 4.17Å
537P97.2Very high94.9Very high1 Ų121.6 Ų21.61%0.00611%0.114CC..  trans-72.7174.8-178.629-33.7000111.1L243 R261 A262 I534 P535 V545L243-P537 HydrophobicContact CD1-CG 3.63Å; R261-P537 CarbonylContact C-O 3.5Å; R261-P537 WeakPolarHBondContact CA-O 3.39Å; A262-P537 HydrophobicContact CB-CG 4.09Å; A262-P537 WeakPolarHBondContact CB-O 3.37Å; A262-P537 PolarHBondContact N-O 2.63Å; I534-P537 HydrophobicContact CD1-CB 4.05Å; P535-P537 WeakPolarHBondContact O-CD 3.42Å; P537-V545 HydrophobicContact CB-CG1 3.8Å; P537-V545 HydrophobicContact CG-CG1 4.23Å
538W96.9Very high94.8Very high68 Ų6821.7 Ų21.726%0.25812%0.115SC..BIsolated β-bridgetrans-60.7144.1169.6-62.3112.8000110.8G260 D540 S541 E598 K601 H602G260-W538 CarbonylContact O-C 3.51Å; G260-W538 WeakPolarHBondContact O-CA 3.41Å; W538-D540 WeakPolarHBondContact CB-OD1 3.48Å; W538-D540 PolarHBondContact O-N 2.88Å; W538-S541 PolarHBondContact N-OG 3.21Å; W538-S541 WeakPolarHBondContact O-CB 3.49Å; W538-S541 PolarHBondContact O-N 3.11Å; W538-S541 PolarHBondContact O-OG 2.88Å; W538-E598 PolarHBondContact NE1-O 3.09Å; W538-K601 WeakPolarHBondContact CZ2-O 3.42Å; W538-H602 HydrophobicContact CH2-CB 4.46Å
539D94.4Very high94.7Very high42 Ų4221.7 Ų21.723%0.22512%0.115CC..THydrogen-bonded Turntrans-66-23.9-175.959.424.6000114.1S244 L252 G260S244-D539 WeakPolarHBondContact OG-CA 3.48Å; S244-D539 PolarHBondContact OG-O 3.14Å; L252-D539 HydrophobicContact CD1-CB 4.35Å; L252-D539 WeakPolarHBondContact CD2-OD2 3.38Å; G260-D539 WeakPolarHBondContact CA-OD2 3.46Å; G260-D539 VanDerWaalsContact O-CG 3.23Å; G260-D539 PolarHBondContact O-N 3.36Å
540D91.5Very high94.7Very high111 Ų11121.8 Ų21.859%0.59412%0.115SC*.THydrogen-bonded Turntrans-96.81.417972.8-18.5000113.4R455 W538R455-D540 PolarHBondContact NH2-O 3.23Å; W538-D540 WeakPolarHBondContact CB-OD1 3.48Å; W538-D540 PolarHBondContact O-N 2.88Å
541S92.4Very high94.5Very high9 Ų921.9 Ų21.96%0.06312%0.116CC..  trans-41.9145.1-175.2-73.90000114R455 W538 Q599R455-S541 PolarHBondContact NH1-O 3.1Å; W538-S541 PolarHBondContact N-OG 3.21Å; W538-S541 WeakPolarHBondContact O-CB 3.49Å; W538-S541 PolarHBondContact O-N 3.11Å; W538-S541 PolarHBondContact O-OG 2.88Å; S541-Q599 PolarHBondContact OG-NE2 3.12Å; S541-Q599 PolarHBondContact OG-OE1 3.49Å
542P90.1Very high94.4Very high49 Ų4921.9 Ų21.932%0.31812%0.116SC..  trans-66.3152.917730.3-35.3000110.6Y544 V545 M595P542-Y544 HydrophobicContact CB-CD2 3.97Å; P542-Y544 PolarHBondContact O-N 2.89Å; P542-V545 HydrophobicContact CG-CG2 4.04Å; P542-V545 PolarHBondContact O-N 2.99Å; P542-M595 HydrophobicContact CG-CG 4.48Å; P542-M595 HydrophobicContact CG-SD 4.19Å
543S90.2Very high94.5Very high53 Ų5321.6 Ų21.637%0.37111%0.113SC..Hα-helixtrans-58-22.8-178.5-57.70000113.2V545 T546 N547S543-V545 VanDerWaalsContact C-N 3.3Å; S543-V545 PolarHBondContact O-N 2.89Å; S543-T546 PolarHBondContact O-N 2.77Å; S543-N547 WeakPolarHBondContact O-CB 3.49Å; S543-N547 PolarHBondContact O-N 2.87Å; S543-N547 PolarHBondContact O-ND2 3.36Å; S543-N547 VanDerWaalsContact O-ND2 3.13Å; S543-N547 PolarHBondContact O-OD1 2.93Å
544Y92Very high94.5Very high85 Ų8521.7 Ų21.733%0.33311%0.113SC..Hα-helixtrans-55.1-42.5171.9-58.6-74.6000112.7I481 Y485 T488 P542 C548 M595I481-Y544 HydrophobicContact CD1-CE1 4.2Å; Y485-Y544 AromaticContact CD1-CD1 3.93Å; Y485-Y544 HydrophobicContact CD1-CD1 3.93Å; Y485-Y544 HydrophobicContact CD1-CG 4.23Å; Y485-Y544 HydrophobicContact CD2-CD1 4.02Å; Y485-Y544 AromaticContact CD2-CE1 3.93Å; Y485-Y544 HydrophobicContact CD2-CE1 3.93Å; Y485-Y544 HydrophobicContact CE1-CD1 4.47Å; Y485-Y544 HydrophobicContact CE1-CG 4.42Å; Y485-Y544 HydrophobicContact CE2-CE1 4.44Å; Y485-Y544 AromaticContact CG-CD1 3.68Å; Y485-Y544 HydrophobicContact CG-CD1 3.68Å; Y485-Y544 HydrophobicContact CG-CE1 4.03Å; Y485-Y544 HydrophobicContact CG-CG 4.4Å; T488-Y544 HydrophobicContact CG2-CD1 3.67Å; T488-Y544 HydrophobicContact CG2-CE1 3.71Å; T488-Y544 WeakPolarHBondContact OG1-CD1 3.45Å; P542-Y544 HydrophobicContact CB-CD2 3.97Å; P542-Y544 PolarHBondContact O-N 2.89Å; Y544-C548 PolarHBondContact O-N 2.94Å; Y544-C548 PolarHBondContact O-SG 2.9Å; Y544-M595 WeakPolarHBondContact CB-SD 3.45Å; Y544-M595 HydrophobicContact CG-SD 4.45Å
545V93.7Very high94.6Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-66.9-48.2175.9179.70000110I534 P537 P542 S543 N547 C548 V549 M595 Q599I534-V545 HydrophobicContact CD1-CG1 3.67Å; P537-V545 HydrophobicContact CB-CG1 3.8Å; P537-V545 HydrophobicContact CG-CG1 4.23Å; P542-V545 HydrophobicContact CG-CG2 4.04Å; P542-V545 PolarHBondContact O-N 2.99Å; S543-V545 VanDerWaalsContact C-N 3.3Å; S543-V545 PolarHBondContact O-N 2.89Å; V545-N547 VanDerWaalsContact C-N 3.27Å; V545-N547 PolarHBondContact O-N 2.72Å; V545-C548 WeakPolarHBondContact O-CB 3.27Å; V545-C548 PolarHBondContact O-N 3.28Å; V545-V549 HydrophobicContact CG1-CG2 4.46Å; V545-V549 PolarHBondContact O-N 3.12Å; V545-V549 VanDerWaalsContact O-N 3.08Å; V545-M595 HydrophobicContact CB-CE 4.47Å; V545-M595 HydrophobicContact CG2-CE 3.75Å; V545-M595 HydrophobicContact CG2-CG 3.66Å; V545-M595 HydrophobicContact CG2-SD 3.49Å; V545-M595 WeakPolarHBondContact CG2-SD 3.39Å; V545-Q599 HydrophobicContact CG1-CG 4.23Å; V545-Q599 HydrophobicContact CG2-CG 3.89Å
546T94.7Very high94.6Very high10 Ų1021.3 Ų21.36%0.06111%0.111CC..Hα-helixtrans-55.5-42.8178.4-56.90000112.1L241 L243 S543 C548 V549 L550L241-T546 WeakPolarHBondContact O-CG2 3.21Å; L243-T546 HydrophobicContact CD1-CG2 4.41Å; L243-T546 HydrophobicContact CD2-CG2 4.29Å; L243-T546 HydrophobicContact CG-CG2 3.86Å; S543-T546 PolarHBondContact O-N 2.77Å; T546-C548 VanDerWaalsContact C-N 3.27Å; T546-C548 PolarHBondContact O-N 3.2Å; T546-V549 PolarHBondContact O-N 3.07Å; T546-L550 HydrophobicContact CG2-CD1 3.72Å; T546-L550 HydrophobicContact CG2-CG 4.07Å; T546-L550 WeakPolarHBondContact O-CG 3.33Å; T546-L550 PolarHBondContact O-N 3.41Å
547N94.8Very high94.6Very high10 Ų1021.7 Ų21.75%0.05311%0.113CC..Hα-helixtrans-64.6-31.3179.4-64.6-23.8000112.6Y423 T488 V491 S543 V545Y423-N547 WeakPolarHBondContact OH-CA 3.13Å; Y423-N547 PolarHBondContact OH-O 3.42Å; T488-N547 WeakPolarHBondContact CG2-ND2 3.37Å; T488-N547 PolarHBondContact OG1-ND2 2.84Å; V491-N547 HydrophobicContact CG2-CB 3.98Å; S543-N547 WeakPolarHBondContact O-CB 3.49Å; S543-N547 PolarHBondContact O-N 2.87Å; S543-N547 PolarHBondContact O-ND2 3.36Å; S543-N547 VanDerWaalsContact O-ND2 3.13Å; S543-N547 PolarHBondContact O-OD1 2.93Å; V545-N547 VanDerWaalsContact C-N 3.27Å; V545-N547 PolarHBondContact O-N 2.72Å
548C94.9Very high94.6Very high2 Ų221.7 Ų21.71%0.01411%0.113CC..Hα-helixtrans-74-38.5175.5-60.60000111.8V387 P533 Y544 V545 T546 F596V387-C548 HydrophobicContact CG1-CB 4.09Å; V387-C548 HydrophobicContact CG2-CB 3.73Å; P533-C548 HydrophobicContact CG-CB 4.43Å; Y544-C548 PolarHBondContact O-N 2.94Å; Y544-C548 PolarHBondContact O-SG 2.9Å; V545-C548 WeakPolarHBondContact O-CB 3.27Å; V545-C548 PolarHBondContact O-N 3.28Å; T546-C548 VanDerWaalsContact C-N 3.27Å; T546-C548 PolarHBondContact O-N 3.2Å; C548-F596 HydrophobicContact CB-CE1 4.16Å; C548-F596 HydrophobicContact CB-CZ 3.76Å
549V96Very high94.6Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-68.5-49.8179.81720000111.4L243 L290 F294 A532 P533 I534 V545 T546 L551 F552L243-V549 HydrophobicContact CD1-CB 3.95Å; L243-V549 HydrophobicContact CD1-CG1 4.03Å; L243-V549 HydrophobicContact CD1-CG2 3.9Å; L243-V549 HydrophobicContact CD2-CB 4.39Å; L243-V549 HydrophobicContact CD2-CG1 3.87Å; L290-V549 HydrophobicContact CD1-CG1 4.09Å; L290-V549 HydrophobicContact CD2-CG1 3.58Å; F294-V549 HydrophobicContact CZ-CG1 3.98Å; A532-V549 HydrophobicContact CB-CG1 4.06Å; P533-V549 HydrophobicContact CG-CG2 4.47Å; I534-V549 HydrophobicContact CG1-CG2 4.24Å; V545-V549 HydrophobicContact CG1-CG2 4.46Å; V545-V549 PolarHBondContact O-N 3.12Å; V545-V549 VanDerWaalsContact O-N 3.08Å; T546-V549 PolarHBondContact O-N 3.07Å; V549-L551 PolarHBondContact O-N 2.85Å; V549-L551 VanDerWaalsContact O-N 3.11Å; V549-F552 PolarHBondContact O-N 2.8Å
550L95.9Very high94.6Very high1 Ų117.1 Ų17.11%0.00510%0.097CC..Hα-helixtrans-62.1-23.8-174.9-68.1177.1000113.3L241 L243 L285 L290 T546 F552 T553 C554L241-L550 HydrophobicContact CD2-CD1 4.08Å; L243-L550 HydrophobicContact CD2-CD2 4.2Å; L285-L550 HydrophobicContact CB-CD2 4.22Å; L285-L550 HydrophobicContact CD1-CD1 4.41Å; L290-L550 HydrophobicContact CD1-CD2 4Å; T546-L550 HydrophobicContact CG2-CD1 3.72Å; T546-L550 HydrophobicContact CG2-CG 4.07Å; T546-L550 WeakPolarHBondContact O-CG 3.33Å; T546-L550 PolarHBondContact O-N 3.41Å; L550-F552 VanDerWaalsContact C-N 3.25Å; L550-F552 PolarHBondContact O-N 2.82Å; L550-T553 PolarHBondContact O-N 2.97Å; L550-T553 PolarHBondContact O-OG1 3.29Å; L550-C554 WeakPolarHBondContact O-CB 3.45Å; L550-C554 PolarHBondContact O-N 2.91Å; L550-C554 PolarHBondContact O-SG 2.9Å
551L94.7Very high94.9Very high3 Ų311.9 Ų11.92%0.0167%0.068CC..Hα-helixtrans-55.4-39.2177.9-178.563000112.5F383 L386 V387 Y423 V549 T553F383-L551 HydrophobicContact CB-CD2 3.75Å; F383-L551 HydrophobicContact CD1-CD1 4.46Å; F383-L551 HydrophobicContact CD1-CD2 4.01Å; F383-L551 HydrophobicContact CD1-CG 4.12Å; F383-L551 HydrophobicContact CD2-CD2 3.59Å; F383-L551 HydrophobicContact CD2-CG 3.82Å; F383-L551 HydrophobicContact CE1-CD1 4.31Å; F383-L551 HydrophobicContact CE1-CD2 4.44Å; F383-L551 HydrophobicContact CE1-CG 4.05Å; F383-L551 HydrophobicContact CE2-CD2 4.11Å; F383-L551 HydrophobicContact CE2-CG 3.8Å; F383-L551 HydrophobicContact CG-CD2 3.51Å; F383-L551 HydrophobicContact CG-CG 3.97Å; F383-L551 HydrophobicContact CZ-CD2 4.5Å; F383-L551 HydrophobicContact CZ-CG 3.9Å; L386-L551 HydrophobicContact CB-CD2 4.07Å; L386-L551 HydrophobicContact CD1-CD1 4.38Å; L386-L551 HydrophobicContact CD1-CD2 3.87Å; V387-L551 HydrophobicContact CG2-CD2 4.08Å; Y423-L551 HydrophobicContact CD1-CD1 3.82Å; Y423-L551 HydrophobicContact CD2-CD1 4.17Å; Y423-L551 HydrophobicContact CG-CD1 3.6Å; V549-L551 PolarHBondContact O-N 2.85Å; V549-L551 VanDerWaalsContact O-N 3.11Å; L551-T553 PolarHBondContact O-N 2.86Å
552F95.4Very high95.2Very high0 Ų011.4 Ų11.40%07%0.065CC..Hα-helixtrans-72.8-25.9-174.6-77.7-100.1000114S381 F383 V387 P530 T531 P533 V549 L550 Y556 Q611S381-F552 WeakPolarHBondContact O-CE1 3.05Å; F383-F552 HydrophobicContact CD2-CD1 4.22Å; F383-F552 AromaticContact CD2-CD2 3.98Å; F383-F552 HydrophobicContact CD2-CD2 3.98Å; F383-F552 AromaticContact CD2-CE1 3.85Å; F383-F552 HydrophobicContact CD2-CE1 3.85Å; F383-F552 AromaticContact CD2-CE2 3.57Å; F383-F552 HydrophobicContact CD2-CE2 3.57Å; F383-F552 HydrophobicContact CD2-CG 4.3Å; F383-F552 AromaticContact CD2-CZ 3.52Å; F383-F552 HydrophobicContact CD2-CZ 3.52Å; F383-F552 HydrophobicContact CE2-CB 4.3Å; F383-F552 AromaticContact CE2-CD1 3.59Å; F383-F552 HydrophobicContact CE2-CD1 3.59Å; F383-F552 AromaticContact CE2-CD2 3.67Å; F383-F552 HydrophobicContact CE2-CD2 3.67Å; F383-F552 AromaticContact CE2-CE1 3.68Å; F383-F552 HydrophobicContact CE2-CE1 3.68Å; F383-F552 AromaticContact CE2-CE2 3.75Å; F383-F552 HydrophobicContact CE2-CE2 3.75Å; F383-F552 AromaticContact CE2-CG 3.6Å; F383-F552 HydrophobicContact CE2-CG 3.6Å; F383-F552 AromaticContact CE2-CZ 3.77Å; F383-F552 HydrophobicContact CE2-CZ 3.77Å; V387-F552 HydrophobicContact CB-CE2 4.48Å; V387-F552 HydrophobicContact CG1-CE2 4.28Å; P530-F552 HydrophobicContact CB-CD1 4.01Å; P530-F552 HydrophobicContact CB-CE1 3.98Å; P530-F552 HydrophobicContact CG-CD1 4.46Å; P530-F552 HydrophobicContact CG-CE1 4.03Å; P530-F552 VanDerWaalsContact O-CD1 3.27Å; P530-F552 WeakPolarHBondContact O-CD1 3.42Å; T531-F552 WeakPolarHBondContact O-CB 3.38Å; P533-F552 HydrophobicContact CB-CD2 4.37Å; P533-F552 HydrophobicContact CB-CE2 3.59Å; P533-F552 HydrophobicContact CB-CZ 3.88Å; P533-F552 HydrophobicContact CG-CD2 4.14Å; P533-F552 HydrophobicContact CG-CE2 3.75Å; V549-F552 PolarHBondContact O-N 2.8Å; L550-F552 VanDerWaalsContact C-N 3.25Å; L550-F552 PolarHBondContact O-N 2.82Å; F552-Y556 WeakPolarHBondContact O-CD2 3.35Å; F552-Y556 WeakPolarHBondContact O-CE2 3.35Å; F552-Q611 PolarHBondContact O-NE2 2.6Å; F552-Q611 VanDerWaalsContact O-NE2 3.12Å
553T96.9Very high95.6Very high0 Ų09.1 Ų9.10%05%0.05CC..Hα-helixtrans-103.7-40.4-177.646.50000112.6L285 R289 L290 T531 L550 L551 L555 Y556 N557L285-T553 WeakPolarHBondContact O-CB 3.4Å; L285-T553 PolarHBondContact O-OG1 3.29Å; R289-T553 PolarHBondContact NH1-O 2.73Å; R289-T553 PolarHBondContact NH2-O 3.39Å; L290-T553 HydrophobicContact CD1-CG2 4.46Å; L290-T553 HydrophobicContact CD2-CG2 4.18Å; L290-T553 HydrophobicContact CG-CG2 4.04Å; T531-T553 HydrophobicContact CG2-CG2 3.98Å; L550-T553 PolarHBondContact O-N 2.97Å; L550-T553 PolarHBondContact O-OG1 3.29Å; L551-T553 PolarHBondContact O-N 2.86Å; T553-L555 VanDerWaalsContact C-N 3.3Å; T553-L555 PolarHBondContact O-N 3.48Å; T553-Y556 PolarHBondContact O-N 3.24Å; T553-N557 PolarHBondContact O-N 3.35Å; T553-N557 PolarHBondContact O-OD1 2.97Å
554C95.7Very high96Very high1 Ų16.6 Ų6.61%0.0073%0.032CC..Hα-helixtrans-67.5-26.4-171.8760000113.9L285 Y423 T426 L550 Y556 N557 L558L285-C554 HydrophobicContact CB-CB 4.44Å; L285-C554 HydrophobicContact CD2-CB 3.84Å; Y423-C554 WeakPolarHBondContact CD2-SG 3.46Å; T426-C554 HydrophobicContact CG2-CB 4.14Å; L550-C554 WeakPolarHBondContact O-CB 3.45Å; L550-C554 PolarHBondContact O-N 2.91Å; L550-C554 PolarHBondContact O-SG 2.9Å; C554-Y556 PolarHBondContact O-N 2.84Å; C554-N557 WeakPolarHBondContact CA-OD1 3.27Å; C554-N557 PolarHBondContact O-N 3.02Å; C554-L558 PolarHBondContact O-N 3.42Å
555L95.7Very high96.3Very high3 Ų32.5 Ų2.52%0.0162%0.017CC..Hα-helixtrans-53.9-45.9173.6174.560.4000110.5F383 L416 A422 Y511 F515 T553 L558 L559F383-L555 HydrophobicContact CE1-CD2 4.23Å; F383-L555 HydrophobicContact CZ-CD2 4.4Å; L416-L555 HydrophobicContact CD1-CD2 4.08Å; L416-L555 HydrophobicContact CD2-CD2 4.39Å; A422-L555 HydrophobicContact CB-CD1 3.63Å; Y511-L555 HydrophobicContact CE1-CD1 4.13Å; F515-L555 HydrophobicContact CE2-CD1 4.36Å; F515-L555 HydrophobicContact CE2-CD2 4.17Å; F515-L555 HydrophobicContact CZ-CD2 4.46Å; T553-L555 VanDerWaalsContact C-N 3.3Å; T553-L555 PolarHBondContact O-N 3.48Å; L555-L558 WeakPolarHBondContact O-CB 3.37Å; L555-L558 PolarHBondContact O-N 3.38Å; L555-L559 HydrophobicContact CD1-CD1 3.98Å; L555-L559 HydrophobicContact CD1-CG 4.26Å; L555-L559 HydrophobicContact CG-CD1 4.07Å; L555-L559 VanDerWaalsContact O-CG 3.32Å; L555-L559 WeakPolarHBondContact O-CG 3.48Å; L555-L559 PolarHBondContact O-N 2.63Å
556Y97.1Very high96.4Very high0 Ų02.8 Ų2.80%02%0.018CC..Hα-helixtrans-78.6-24.4-176.2-56.6-60.3000113.5Y380 L527 C529 F552 T553 C554 L559 G560 C561 V613Y380-Y556 WeakPolarHBondContact CE1-OH 3.21Å; Y380-Y556 VanDerWaalsContact CZ-OH 3.29Å; Y380-Y556 WeakPolarHBondContact OH-CE2 3.18Å; Y380-Y556 PolarHBondContact OH-OH 3.25Å; L527-Y556 HydrophobicContact CD1-CE1 4.18Å; C529-Y556 PolarHBondContact SG-OH 2.94Å; F552-Y556 WeakPolarHBondContact O-CD2 3.35Å; F552-Y556 WeakPolarHBondContact O-CE2 3.35Å; T553-Y556 PolarHBondContact O-N 3.24Å; C554-Y556 PolarHBondContact O-N 2.84Å; Y556-L559 HydrophobicContact CD1-CD1 4.32Å; Y556-G560 PolarHBondContact O-N 3.31Å; Y556-G560 VanDerWaalsContact O-N 3.14Å; Y556-C561 HydrophobicContact CD1-CB 4.31Å; Y556-C561 PolarHBondContact O-N 3Å; Y556-V613 HydrophobicContact CD1-CB 4.16Å; Y556-V613 HydrophobicContact CD1-CG1 3.39Å; Y556-V613 HydrophobicContact CD1-CG2 3.94Å; Y556-V613 HydrophobicContact CD2-CG2 3.77Å; Y556-V613 HydrophobicContact CE1-CB 4Å; Y556-V613 HydrophobicContact CE1-CG1 3.63Å; Y556-V613 HydrophobicContact CE1-CG2 3.82Å; Y556-V613 HydrophobicContact CE2-CG2 3.68Å; Y556-V613 HydrophobicContact CG-CB 4.5Å; Y556-V613 HydrophobicContact CG-CG1 3.89Å; Y556-V613 HydrophobicContact CG-CG2 3.85Å
557N96.9Very high96.3Very high8 Ų83.6 Ų3.64%0.0432%0.024CC..Hα-helixtrans-66-46.4165.5-6190000110.8D283 I284 G286 R289 K301 L322 T553 C554 L559 G560D283-N557 PolarHBondContact OD1-ND2 3.4Å; I284-N557 VanDerWaalsContact C-ND2 3.33Å; I284-N557 WeakPolarHBondContact O-CB 3.27Å; I284-N557 PolarHBondContact O-ND2 3.19Å; I284-N557 VanDerWaalsContact O-ND2 3.11Å; G286-N557 PolarHBondContact N-OD1 2.98Å; R289-N557 VanDerWaalsContact NH2-CG 3.32Å; R289-N557 PolarHBondContact NH2-ND2 3.35Å; R289-N557 PolarHBondContact NH2-OD1 3.37Å; K301-N557 WeakPolarHBondContact CD-ND2 3.41Å; L322-N557 HydrophobicContact CD1-CB 3.46Å; L322-N557 VanDerWaalsContact CD1-CB 3.46Å; T553-N557 PolarHBondContact O-N 3.35Å; T553-N557 PolarHBondContact O-OD1 2.97Å; C554-N557 WeakPolarHBondContact CA-OD1 3.27Å; C554-N557 PolarHBondContact O-N 3.02Å; N557-L559 PolarHBondContact O-N 3.42Å; N557-G560 PolarHBondContact O-N 2.95Å
558L96.3Very high96.2Very high0 Ų03.5 Ų3.50%02%0.023CC..Hα-helixtrans-59.6-48.7179-177.171.4000110.7A422 L425 T426 I508 Y511 K512 C554 L555 G560A422-L558 HydrophobicContact CB-CD2 4.38Å; L425-L558 HydrophobicContact CB-CD2 4.44Å; T426-L558 WeakPolarHBondContact OG1-CB 3.31Å; T426-L558 WeakPolarHBondContact OG1-CD2 3.42Å; I508-L558 HydrophobicContact CD1-CD1 4.1Å; I508-L558 HydrophobicContact CG1-CD1 4.16Å; I508-L558 HydrophobicContact CG2-CD1 3.81Å; I508-L558 HydrophobicContact CG2-CG 4.32Å; Y511-L558 HydrophobicContact CD1-CD2 4.36Å; K512-L558 WeakPolarHBondContact CE-O 3.27Å; K512-L558 PolarHBondContact NZ-O 2.97Å; C554-L558 PolarHBondContact O-N 3.42Å; L555-L558 WeakPolarHBondContact O-CB 3.37Å; L555-L558 PolarHBondContact O-N 3.38Å; L558-G560 PolarHBondContact O-N 3.39Å
559L96.5Very high96Very high4 Ų44.9 Ų4.92%0.0214%0.038CC..Hα-helixtrans-66.9-21-179.7-66.2174.7000113.1Y511 K512 F515 F516 L555 Y556 N557 C561Y511-L559 HydrophobicContact CD1-CD2 4.38Å; Y511-L559 HydrophobicContact CE1-CD2 4.25Å; K512-L559 HydrophobicContact CG-CD2 4.02Å; F515-L559 HydrophobicContact CB-CD2 4Å; F515-L559 HydrophobicContact CD1-CD1 3.58Å; F515-L559 HydrophobicContact CD1-CD2 4.27Å; F515-L559 HydrophobicContact CD2-CD1 4.02Å; F515-L559 HydrophobicContact CD2-CD2 4.49Å; F515-L559 HydrophobicContact CE1-CD1 3.53Å; F515-L559 HydrophobicContact CE2-CD1 3.98Å; F515-L559 HydrophobicContact CG-CD1 3.85Å; F515-L559 HydrophobicContact CG-CD2 4.01Å; F515-L559 HydrophobicContact CZ-CD1 3.74Å; F516-L559 HydrophobicContact CZ-CB 4.19Å; L555-L559 HydrophobicContact CD1-CD1 3.98Å; L555-L559 HydrophobicContact CD1-CG 4.26Å; L555-L559 HydrophobicContact CG-CD1 4.07Å; L555-L559 VanDerWaalsContact O-CG 3.32Å; L555-L559 WeakPolarHBondContact O-CG 3.48Å; L555-L559 PolarHBondContact O-N 2.63Å; Y556-L559 HydrophobicContact CD1-CD1 4.32Å; N557-L559 PolarHBondContact O-N 3.42Å; L559-C561 VanDerWaalsContact C-N 3.3Å
560G96.2Very high96Very high11 Ų1110.9 Ų10.911%0.1136%0.061CC..THydrogen-bonded Turntrans75.220.7-173.500000113P304 Y556 N557 L558P304-G560 VanDerWaalsContact CD-O 3.27Å; P304-G560 WeakPolarHBondContact CD-O 3.39Å; Y556-G560 PolarHBondContact O-N 3.31Å; Y556-G560 VanDerWaalsContact O-N 3.14Å; N557-G560 PolarHBondContact O-N 2.95Å; L558-G560 PolarHBondContact O-N 3.39Å
561C98Very high96Very high0 Ų011 Ų110%06%0.061CC..  trans-78.2138.1179.7-69.60000110.8K301 Y556 L559 V613 A614K301-C561 VanDerWaalsContact CE-O 3.31Å; K301-C561 WeakPolarHBondContact CE-O 3.4Å; K301-C561 PolarHBondContact NZ-O 3.34Å; Y556-C561 HydrophobicContact CD1-CB 4.31Å; Y556-C561 PolarHBondContact O-N 3Å; L559-C561 VanDerWaalsContact C-N 3.3Å; C561-V613 HydrophobicContact CB-CG1 3.52Å; C561-A614 VanDerWaalsContact CB-O 3.22Å; C561-A614 WeakPolarHBondContact CB-O 3.31Å
562P98.2Very high96Very high0 Ų015.2 Ų15.20%08%0.081CC..  trans-64.1137.416628.4-34.6000110F300 K301 T303 V613 A614 K615 D619F300-P562 HydrophobicContact CE1-CB 4.18Å; F300-P562 HydrophobicContact CZ-CB 3.86Å; K301-P562 VanDerWaalsContact O-CA 3.27Å; K301-P562 WeakPolarHBondContact O-CA 3.41Å; T303-P562 WeakPolarHBondContact OG1-CD 3.36Å; P562-V613 WeakPolarHBondContact O-CA 3.42Å; P562-V613 WeakPolarHBondContact O-CG1 3.22Å; P562-A614 WeakPolarHBondContact CD-O 3.36Å; P562-A614 HydrophobicContact CG-CB 4.16Å; P562-A614 PolarHBondContact O-N 2.91Å; P562-K615 WeakPolarHBondContact CD-O 3.46Å; P562-D619 HydrophobicContact CB-CB 4.13Å; P562-D619 WeakPolarHBondContact CB-OD1 3.49Å; P562-D619 HydrophobicContact CG-CB 4.43Å
563A98.5Very high95.8Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-144.3126.3-177.700000109.9K301 Q611 V612 V613K301-A563 WeakPolarHBondContact CB-O 3.27Å; K301-A563 PolarHBondContact N-O 3.01Å; K301-A563 PolarHBondContact O-N 3.12Å; A563-Q611 HydrophobicContact CB-CG 4.25Å; A563-V612 WeakPolarHBondContact CA-O 3.36Å; A563-V613 HydrophobicContact CB-CG1 4.5Å; A563-V613 HydrophobicContact CB-CG2 3.88Å
564G98.2Very high95.4Very high0 Ų024.3 Ų24.30%013%0.127CC..EExtended strand (participates in β ladder)trans-117.4156.3172.800000111.8A299 Q611 V612A299-G564 CarbonylContact O-C 3.55Å; A299-G564 VanDerWaalsContact O-CA 3.25Å; A299-G564 WeakPolarHBondContact O-CA 3.24Å; G564-Q611 CarbonylContact O-C 3.58Å; G564-Q611 WeakPolarHBondContact O-CA 3.33Å; G564-V612 PolarHBondContact N-O 2.85Å; G564-V612 PolarHBondContact O-N 3.21Å
565T97.8Very high95.1Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-128.2147177.9-171.40000111.7R289 A292 T298 A299 T531 V610R289-T565 HydrophobicContact CB-CG2 3.91Å; R289-T565 HydrophobicContact CG-CG2 4.07Å; R289-T565 WeakPolarHBondContact O-CG2 3.44Å; A292-T565 HydrophobicContact CB-CG2 4.02Å; T298-T565 VanDerWaalsContact CA-O 3.24Å; T298-T565 WeakPolarHBondContact CA-O 3.49Å; T298-T565 WeakPolarHBondContact CB-O 3.02Å; T298-T565 PolarHBondContact OG1-O 3.43Å; A299-T565 HydrophobicContact CB-CG2 4.1Å; A299-T565 PolarHBondContact N-O 3.21Å; A299-T565 PolarHBondContact O-N 3.33Å; T531-T565 PolarHBondContact OG1-OG1 3.27Å; T565-V610 CarbonylContact C-O 3.54Å; T565-V610 WeakPolarHBondContact CA-O 3.36Å; T565-V610 WeakPolarHBondContact CB-O 3.46Å; T565-V610 PolarHBondContact OG1-O 3.38Å
566L95.5Very high94.6Very high5 Ų526.2 Ų26.23%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-137.5154.4169.974.5160.8000109.7M568 V610 L626 L629 Q630L566-M568 HydrophobicContact CD1-CG 4.19Å; L566-M568 HydrophobicContact CD1-SD 3.42Å; L566-M568 WeakPolarHBondContact CD1-SD 3.15Å; L566-M568 HydrophobicContact CD2-CG 4.4Å; L566-M568 HydrophobicContact CD2-SD 4.49Å; L566-M568 HydrophobicContact CG-CG 3.94Å; L566-M568 HydrophobicContact CG-SD 3.86Å; L566-V610 PolarHBondContact N-O 3.24Å; L566-V610 PolarHBondContact O-N 2.88Å; L566-L626 HydrophobicContact CD2-CD2 3.37Å; L566-L629 HydrophobicContact CD1-CB 3.89Å; L566-L629 HydrophobicContact CD2-CB 4.25Å; L566-L629 HydrophobicContact CD2-CD1 3.98Å; L566-Q630 HydrophobicContact CD1-CB 4.14Å
567S93.8Very high93.9Very high28 Ų2832.1 Ų32.120%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-80.7118.2173.4-172.70000110P607 I608 I633S567-P607 WeakPolarHBondContact OG-CB 3.31Å; S567-I608 CarbonylContact C-O 3.46Å; S567-I608 WeakPolarHBondContact CA-O 3.35Å; S567-I633 VanDerWaalsContact O-CD1 3.27Å; S567-I633 WeakPolarHBondContact O-CD1 3.43Å
568M91.7Very high93Very high7 Ų734 Ų343%0.03418%0.181CC..EExtended strand (participates in β ladder)trans-114.2110174.6-61.3-69-69.200108.3V396 I400 L566 I608 V610 L629 I632 I633V396-M568 HydrophobicContact CG1-CB 3.58Å; V396-M568 WeakPolarHBondContact CG1-O 3.21Å; V396-M568 WeakPolarHBondContact CG2-O 3.36Å; I400-M568 HydrophobicContact CD1-CB 3.74Å; I400-M568 HydrophobicContact CD1-CE 3.91Å; I400-M568 HydrophobicContact CD1-CG 3.6Å; I400-M568 HydrophobicContact CG1-CE 3.62Å; I400-M568 HydrophobicContact CG1-CG 4.39Å; L566-M568 HydrophobicContact CD1-CG 4.19Å; L566-M568 HydrophobicContact CD1-SD 3.42Å; L566-M568 WeakPolarHBondContact CD1-SD 3.15Å; L566-M568 HydrophobicContact CD2-CG 4.4Å; L566-M568 HydrophobicContact CD2-SD 4.49Å; L566-M568 HydrophobicContact CG-CG 3.94Å; L566-M568 HydrophobicContact CG-SD 3.86Å; M568-I608 PolarHBondContact N-O 2.98Å; M568-I608 WeakPolarHBondContact O-CB 3.36Å; M568-V610 HydrophobicContact CB-CG2 3.97Å; M568-V610 HydrophobicContact CG-CB 3.99Å; M568-V610 HydrophobicContact CG-CG2 3.97Å; M568-L629 HydrophobicContact SD-CB 4.41Å; M568-I632 HydrophobicContact CE-CB 4.35Å; M568-I633 HydrophobicContact CE-CD1 4.15Å; M568-I633 HydrophobicContact CE-CG1 3.74Å; M568-I633 HydrophobicContact CG-CD1 4.49Å; M568-I633 HydrophobicContact SD-CD1 3.31Å; M568-I633 WeakPolarHBondContact SD-CD1 3.06Å; M568-I633 HydrophobicContact SD-CG1 3.63Å
569G92.1Very high91.8Very high31 Ų3134.7 Ų34.732%0.3218%0.184SC..EExtended strand (participates in β ladder)trans68.5-175.5-179.500000114.9I608G569-I608 PolarHBondContact O-N 3.18Å
570R95.4Very high90.5Very high127 Ų12739.5 Ų39.548%0.47921%0.21SC..EExtended strand (participates in β ladder)trans-140.5161178.5-67.8178.7-179.1-87.5-4.8109.2R395 E572 G605 L606R395-R570 PolarHBondContact NH2-O 2.8Å; R570-E572 PolarHBondContact O-N 2.81Å; R570-G605 WeakPolarHBondContact CD-O 3.48Å; R570-G605 PolarHBondContact NH1-O 3.03Å; R570-L606 CarbonylContact C-O 3.58Å; R570-L606 WeakPolarHBondContact CA-O 3.29Å; R570-L606 WeakPolarHBondContact CB-O 3.27Å
571V95.6Very high89.1Confident3 Ų344.9 Ų44.92%0.01824%0.236CC..  trans-63125.6171-175.50000109.4P535 D575 L576 Y600 S603 G605 L606 I608P535-V571 HydrophobicContact CB-CG2 3.92Å; P535-V571 HydrophobicContact CG-CG2 3.81Å; V571-D575 HydrophobicContact CG1-CB 4.22Å; V571-L576 HydrophobicContact CG1-CD2 4.05Å; V571-L576 HydrophobicContact CG1-CG 4.45Å; V571-Y600 HydrophobicContact CG1-CE1 4.46Å; V571-S603 VanDerWaalsContact CB-O 3.27Å; V571-S603 WeakPolarHBondContact CB-O 3.38Å; V571-S603 WeakPolarHBondContact CG2-O 3.49Å; V571-G605 PolarHBondContact O-N 3.48Å; V571-L606 HydrophobicContact CG2-CB 4.19Å; V571-L606 PolarHBondContact N-O 2.83Å; V571-I608 HydrophobicContact CG2-CD1 4.35Å; V571-I608 HydrophobicContact CG2-CG1 4.41Å
572E94.5Very high87.6Confident91 Ų9148.2 Ų48.243%0.42525%0.254SS..  trans-104.9165178.7-71.1171.7-147.200111.2R395 R570 C574 D575 L576R395-E572 IonicContact CZ-OE1 3.45Å; R395-E572 VanDerWaalsContact CZ-OE1 3.26Å; R395-E572 IonicContact CZ-OE2 2.85Å; R395-E572 IonicContact NH1-OE1 2.84Å; R395-E572 PolarHBondContact NH1-OE1 2.72Å; R395-E572 IonicContact NH2-OE1 3.64Å; R395-E572 PolarHBondContact NH2-OE1 3.44Å; R570-E572 PolarHBondContact O-N 2.81Å; E572-C574 VanDerWaalsContact C-N 3.28Å; E572-C574 PolarHBondContact O-N 3.12Å; E572-D575 PolarHBondContact N-OD2 2.66Å; E572-D575 WeakPolarHBondContact O-CB 3.22Å; E572-D575 PolarHBondContact O-N 2.82Å; E572-D575 VanDerWaalsContact O-N 3.12Å; E572-L576 PolarHBondContact O-N 3.3Å
573K90.6Very high85.5Confident131 Ų13153.1 Ų53.157%0.5729%0.285SS*.Hα-helixtrans-61.8-35.9178.3-66.4-173.8-178.4-177.90112.9D575 L576 Q577 E604K573-D575 PolarHBondContact O-N 3.15Å; K573-L576 WeakPolarHBondContact O-CB 3.36Å; K573-L576 PolarHBondContact O-N 2.69Å; K573-Q577 PolarHBondContact O-N 3Å; K573-E604 VanDerWaalsContact CE-CD 3.47Å; K573-E604 WeakPolarHBondContact CE-OE1 3.39Å; K573-E604 WeakPolarHBondContact CE-OE2 3.44Å; K573-E604 HydrophobicContact CG-CG 4.34Å; K573-E604 VanDerWaalsContact CG-OE1 3.32Å; K573-E604 WeakPolarHBondContact CG-OE1 3.5Å
574C89.5Confident83.2Confident60 Ų6057.7 Ų57.741%0.40531%0.31SS..Hα-helixtrans-62.1-34.3176580000111.7E572 L576 Q577 A578E572-C574 VanDerWaalsContact C-N 3.28Å; E572-C574 PolarHBondContact O-N 3.12Å; C574-L576 VanDerWaalsContact C-N 3.32Å; C574-L576 PolarHBondContact O-N 2.85Å; C574-Q577 PolarHBondContact O-N 2.83Å; C574-A578 WeakPolarHBondContact O-CB 3.27Å; C574-A578 PolarHBondContact O-N 3.34Å
575D88.8Confident80.7Confident6 Ų664 Ų643%0.03234%0.344CS..Hα-helixtrans-67.7-34.6177.7-57.2-44.2000111.8S392 R395 V571 E572 K573 F579 Y600S392-D575 VanDerWaalsContact CB-CG 3.48Å; S392-D575 WeakPolarHBondContact CB-OD2 3.26Å; R395-D575 IonicContact CZ-OD1 3.52Å; R395-D575 IonicContact CZ-OD2 3.38Å; R395-D575 IonicContact NE-OD1 3.86Å; R395-D575 PolarHBondContact NE-OD1 3.45Å; R395-D575 IonicContact NE-OD2 3.34Å; R395-D575 PolarHBondContact NE-OD2 2.93Å; R395-D575 IonicContact NH2-OD1 3.52Å; R395-D575 IonicContact NH2-OD2 2.63Å; R395-D575 PolarHBondContact NH2-OD2 2.87Å; V571-D575 HydrophobicContact CG1-CB 4.22Å; E572-D575 PolarHBondContact N-OD2 2.66Å; E572-D575 WeakPolarHBondContact O-CB 3.22Å; E572-D575 PolarHBondContact O-N 2.82Å; E572-D575 VanDerWaalsContact O-N 3.12Å; K573-D575 PolarHBondContact O-N 3.15Å; D575-F579 WeakPolarHBondContact O-CB 3.35Å; D575-F579 PolarHBondContact O-N 3Å; D575-F579 VanDerWaalsContact O-N 3.11Å; D575-Y600 HydrophobicContact CB-CE1 4.4Å
576L85.2Confident78.2Confident39 Ų3970.7 Ų70.720%0.20438%0.379CS..Hα-helixtrans-67.2-45.1176.3-60.1-179.6000110.6V571 E572 K573 C574 F579 D580 Y600 E604V571-L576 HydrophobicContact CG1-CD2 4.05Å; V571-L576 HydrophobicContact CG1-CG 4.45Å; E572-L576 PolarHBondContact O-N 3.3Å; K573-L576 WeakPolarHBondContact O-CB 3.36Å; K573-L576 PolarHBondContact O-N 2.69Å; C574-L576 VanDerWaalsContact C-N 3.32Å; C574-L576 PolarHBondContact O-N 2.85Å; L576-F579 WeakPolarHBondContact O-CB 3.44Å; L576-F579 PolarHBondContact O-N 3.49Å; L576-D580 PolarHBondContact O-N 3.47Å; L576-D580 VanDerWaalsContact O-N 3.07Å; L576-Y600 HydrophobicContact CD2-CD1 3.57Å; L576-Y600 HydrophobicContact CD2-CE1 3.72Å; L576-Y600 HydrophobicContact CD2-CG 4.47Å; L576-E604 HydrophobicContact CD1-CB 4.14Å
577Q81.9Confident75.8Confident123 Ų12380.7 Ų80.758%0.57542%0.423SS*.Hα-helixtrans-62.1-47.8176.2-68.2174-15.400111.5K573 C574 F579 D580 D581K573-Q577 PolarHBondContact O-N 3Å; C574-Q577 PolarHBondContact O-N 2.83Å; Q577-F579 PolarHBondContact O-N 3.1Å; Q577-D580 PolarHBondContact O-N 3.22Å; Q577-D581 WeakPolarHBondContact O-CB 3.25Å; Q577-D581 VanDerWaalsContact O-CG 3.24Å; Q577-D581 PolarHBondContact O-N 3.31Å
578A78.1Confident73.5Confident47 Ų4787.9 Ų87.939%0.38845%0.451SS..Hα-helixtrans-60.8-27.4177.100000113P391 C574 I582P391-A578 HydrophobicContact CB-CB 4.35Å; C574-A578 WeakPolarHBondContact O-CB 3.27Å; C574-A578 PolarHBondContact O-N 3.34Å; A578-I582 WeakPolarHBondContact O-CG1 3.3Å
579F71.1Confident71.8Confident15 Ų1591.8 Ų91.87%0.06647%0.465CS..Hα-helixtrans-73.6-42.1173.2-160.8-71.8000111.7P391 D575 L576 Q577 D581 I582 F596 S597 Y600P391-F579 VanDerWaalsContact CD-CD2 3.46Å; P391-F579 HydrophobicContact CG-CB 4.22Å; P391-F579 HydrophobicContact CG-CD2 3.86Å; P391-F579 HydrophobicContact CG-CG 4.47Å; D575-F579 WeakPolarHBondContact O-CB 3.35Å; D575-F579 PolarHBondContact O-N 3Å; D575-F579 VanDerWaalsContact O-N 3.11Å; L576-F579 WeakPolarHBondContact O-CB 3.44Å; L576-F579 PolarHBondContact O-N 3.49Å; Q577-F579 PolarHBondContact O-N 3.1Å; F579-D581 VanDerWaalsContact C-N 3.31Å; F579-I582 HydrophobicContact CD1-CD1 4.44Å; F579-I582 HydrophobicContact CD2-CD1 4.38Å; F579-I582 HydrophobicContact CE1-CD1 4.49Å; F579-I582 HydrophobicContact CE2-CD1 4.49Å; F579-I582 HydrophobicContact CG-CD1 4.33Å; F579-I582 WeakPolarHBondContact O-CG1 3.45Å; F579-I582 PolarHBondContact O-N 3.46Å; F579-F596 HydrophobicContact CZ-CB 4.08Å; F579-S597 VanDerWaalsContact CE1-CB 3.42Å; F579-Y600 HydrophobicContact CB-CD1 3.84Å; F579-Y600 HydrophobicContact CB-CE1 3.94Å; F579-Y600 AromaticContact CD2-CD1 3.72Å; F579-Y600 HydrophobicContact CD2-CD1 3.72Å; F579-Y600 HydrophobicContact CD2-CD2 4.44Å; F579-Y600 AromaticContact CD2-CE1 3.93Å; F579-Y600 HydrophobicContact CD2-CE1 3.93Å; F579-Y600 AromaticContact CD2-CG 3.99Å; F579-Y600 HydrophobicContact CD2-CG 3.99Å; F579-Y600 HydrophobicContact CE2-CG 4.38Å; F579-Y600 AromaticContact CG-CD1 3.8Å; F579-Y600 HydrophobicContact CG-CD1 3.8Å; F579-Y600 HydrophobicContact CG-CE1 4.19Å; F579-Y600 HydrophobicContact CG-CG 4.33Å
580D70.5Confident70.9Confident106 Ų10692.7 Ų92.757%0.56747%0.467SS*.Hα-helixtrans-67.9-32.4177.7-71-27000112.1L576 Q577 I582L576-D580 PolarHBondContact O-N 3.47Å; L576-D580 VanDerWaalsContact O-N 3.07Å; Q577-D580 PolarHBondContact O-N 3.22Å; D580-I582 VanDerWaalsContact C-N 3.32Å; D580-I582 PolarHBondContact O-N 3.43Å
581D66.4Low70.2Confident123 Ų12388.7 Ų88.766%0.65846%0.458SS*.THydrogen-bonded Turntrans-79.3-5.1180-68.9-26.9000114.4Q577 F579 P583Q577-D581 WeakPolarHBondContact O-CB 3.25Å; Q577-D581 VanDerWaalsContact O-CG 3.24Å; Q577-D581 PolarHBondContact O-N 3.31Å; F579-D581 VanDerWaalsContact C-N 3.31Å; D581-P583 VanDerWaalsContact O-CD 3.22Å; D581-P583 WeakPolarHBondContact O-CD 3.16Å
582I66Low69.6Low71 Ų7189.1 Ų89.136%0.36446%0.46SS..SBendtrans-56.3116.9175.9-62.3173.1000107.7A578 F579 D580 D584A578-I582 WeakPolarHBondContact O-CG1 3.3Å; F579-I582 HydrophobicContact CD1-CD1 4.44Å; F579-I582 HydrophobicContact CD2-CD1 4.38Å; F579-I582 HydrophobicContact CE1-CD1 4.49Å; F579-I582 HydrophobicContact CE2-CD1 4.49Å; F579-I582 HydrophobicContact CG-CD1 4.33Å; F579-I582 WeakPolarHBondContact O-CG1 3.45Å; F579-I582 PolarHBondContact O-N 3.46Å; D580-I582 VanDerWaalsContact C-N 3.32Å; D580-I582 PolarHBondContact O-N 3.43Å; I582-D584 PolarHBondContact O-N 3.31Å
583P54.9Low69Low102 Ų10287.9 Ų87.966%0.66246%0.457SS*.  trans-55130.8-173.2-2632.6000111.6D581 D585D581-P583 VanDerWaalsContact O-CD 3.22Å; D581-P583 WeakPolarHBondContact O-CD 3.16Å; P583-D585 PolarHBondContact O-N 3Å
584D49.3Very low68.6Low96 Ų9686.7 Ų86.751%0.51345%0.454SS..  trans-70.162.9163.6-81.8-17.4000108.9I582 N586 R589I582-D584 PolarHBondContact O-N 3.31Å; D584-N586 PolarHBondContact O-N 3.34Å; D584-R589 WeakPolarHBondContact OD1-CG 3.42Å; D584-R589 IonicContact OD1-CZ 3.17Å; D584-R589 IonicContact OD1-NE 2.84Å; D584-R589 PolarHBondContact OD1-NE 3.32Å; D584-R589 IonicContact OD1-NH2 2.74Å
585D46.9Very low68.5Low134 Ų13484.7 Ų84.772%0.71744%0.439SS*.G310 helixtrans-64.2105.5177.6-130.6-4.2000107.1P583P583-D585 PolarHBondContact O-N 3Å
586N44.6Very low68.5Low140 Ų14084.7 Ų84.775%0.74944%0.439SS*.G310 helixtrans60.455.4-178-64.8-47.9000117.5D584 K588D584-N586 PolarHBondContact O-N 3.34Å; N586-K588 WeakPolarHBondContact O-CB 3.43Å; N586-K588 PolarHBondContact O-N 2.81Å
587F44.8Very low68.6Low214 Ų21483.4 Ų83.494%0.93943%0.433SS*.G310 helixtrans52.512.9163.2-101.2-85.2000116.2
588K45.3Very low68.9Low179 Ų17982.1 Ų82.178%0.77843%0.427SS*.  trans-134.472.9-175.4-73.7-176.9-179.3176.40107.6N586 S590N586-K588 WeakPolarHBondContact O-CB 3.43Å; N586-K588 PolarHBondContact O-N 2.81Å; K588-S590 PolarHBondContact O-N 3.44Å; K588-S590 VanDerWaalsContact O-N 3.1Å
589R56Low69.6Low89 Ų8980.6 Ų80.634%0.33641%0.412SS..  trans-49.2125.7153.3-70.3-175.9175.8-165.6-9.7106.7D584 S591 M594D584-R589 WeakPolarHBondContact OD1-CG 3.42Å; D584-R589 IonicContact OD1-CZ 3.17Å; D584-R589 IonicContact OD1-NE 2.84Å; D584-R589 PolarHBondContact OD1-NE 3.32Å; D584-R589 IonicContact OD1-NH2 2.74Å; R589-S591 PolarHBondContact O-N 3.13Å; R589-M594 HydrophobicContact CB-CG 3.48Å; R589-M594 VanDerWaalsContact CB-CG 3.48Å; R589-M594 HydrophobicContact CB-SD 4.16Å; R589-M594 HydrophobicContact CG-CG 4.33Å
590S73.8Confident70.5Confident51 Ų5180.1 Ų80.136%0.35741%0.41SS..  trans-52.7141.217275.70000107.8K588 L592 N593 M594K588-S590 PolarHBondContact O-N 3.44Å; K588-S590 VanDerWaalsContact O-N 3.1Å; S590-L592 PolarHBondContact O-N 3.34Å; S590-N593 PolarHBondContact O-N 3.34Å; S590-N593 WeakPolarHBondContact OG-CB 3.25Å; S590-N593 PolarHBondContact OG-N 3.42Å; S590-N593 VanDerWaalsContact OG-N 3.13Å; S590-N593 PolarHBondContact OG-ND2 3.34Å; S590-N593 PolarHBondContact OG-OD1 3.3Å; S590-M594 PolarHBondContact O-N 3.01Å; S590-M594 VanDerWaalsContact O-N 3.15Å
591S80.1Confident71.3Confident42 Ų4279.7 Ų79.729%0.29440%0.403SS..Hα-helixtrans-58.8-23.5-176.6-47.90000112.3Y485 R589 M595Y485-S591 VanDerWaalsContact OH-CB 3.25Å; Y485-S591 WeakPolarHBondContact OH-CB 3.39Å; Y485-S591 PolarHBondContact OH-O 2.71Å; R589-S591 PolarHBondContact O-N 3.13Å; S591-M595 PolarHBondContact O-N 2.93Å
592L82.7Confident72.5Confident13 Ų1380.9 Ų80.97%0.06840%0.404CS..Hα-helixtrans-70.1-45.6171.2-170.4154.6000112.5Y485 S590 M594 M595 F596Y485-L592 HydrophobicContact CD1-CB 4.41Å; Y485-L592 HydrophobicContact CE1-CB 4.46Å; S590-L592 PolarHBondContact O-N 3.34Å; L592-M594 VanDerWaalsContact C-N 3.33Å; L592-M594 PolarHBondContact O-N 3.45Å; L592-M595 HydrophobicContact CG-CE 4.33Å; L592-M595 WeakPolarHBondContact O-CB 3.47Å; L592-M595 PolarHBondContact O-N 3.36Å; L592-M595 VanDerWaalsContact O-N 3.14Å; L592-F596 HydrophobicContact CD2-CD1 4.4Å; L592-F596 HydrophobicContact CD2-CD2 3.78Å; L592-F596 HydrophobicContact CD2-CE1 4.33Å; L592-F596 HydrophobicContact CD2-CE2 3.69Å; L592-F596 HydrophobicContact CD2-CG 4.15Å; L592-F596 HydrophobicContact CD2-CZ 3.98Å; L592-F596 PolarHBondContact O-N 3.04Å
593N82.3Confident73.8Confident65 Ų6577.5 Ų77.535%0.34839%0.387SS..Hα-helixtrans-62.7-40.7178.7-71.2-1.5000111.6S590 M595 F596 S597S590-N593 PolarHBondContact O-N 3.34Å; S590-N593 WeakPolarHBondContact OG-CB 3.25Å; S590-N593 PolarHBondContact OG-N 3.42Å; S590-N593 VanDerWaalsContact OG-N 3.13Å; S590-N593 PolarHBondContact OG-ND2 3.34Å; S590-N593 PolarHBondContact OG-OD1 3.3Å; N593-M595 VanDerWaalsContact C-N 3.33Å; N593-M595 PolarHBondContact O-N 3.35Å; N593-F596 PolarHBondContact O-N 3.38Å; N593-S597 WeakPolarHBondContact O-CB 3.39Å; N593-S597 PolarHBondContact O-N 2.89Å
594M83.4Confident75.7Confident105 Ų10577.1 Ų77.152%0.51738%0.376SS..Hα-helixtrans-59-44.9172.8-73.7-102.4-70.400111.7R589 S590 L592 S597 E598R589-M594 HydrophobicContact CB-CG 3.48Å; R589-M594 VanDerWaalsContact CB-CG 3.48Å; R589-M594 HydrophobicContact CB-SD 4.16Å; R589-M594 HydrophobicContact CG-CG 4.33Å; S590-M594 PolarHBondContact O-N 3.01Å; S590-M594 VanDerWaalsContact O-N 3.15Å; L592-M594 VanDerWaalsContact C-N 3.33Å; L592-M594 PolarHBondContact O-N 3.45Å; M594-S597 VanDerWaalsContact O-CB 3.29Å; M594-S597 WeakPolarHBondContact O-CB 3.37Å; M594-S597 PolarHBondContact O-N 3.03Å; M594-E598 PolarHBondContact O-N 2.91Å
595M87.3Confident77.9Confident19 Ų1973.6 Ų73.69%0.09436%0.362CS..Hα-helixtrans-62.6-44.2177.4178.4-172.774.300111.6Y485 P542 Y544 V545 S591 L592 N593 S597 E598 Q599Y485-M595 HydrophobicContact CE1-SD 4.19Å; P542-M595 HydrophobicContact CG-CG 4.48Å; P542-M595 HydrophobicContact CG-SD 4.19Å; Y544-M595 WeakPolarHBondContact CB-SD 3.45Å; Y544-M595 HydrophobicContact CG-SD 4.45Å; V545-M595 HydrophobicContact CB-CE 4.47Å; V545-M595 HydrophobicContact CG2-CE 3.75Å; V545-M595 HydrophobicContact CG2-CG 3.66Å; V545-M595 HydrophobicContact CG2-SD 3.49Å; V545-M595 WeakPolarHBondContact CG2-SD 3.39Å; S591-M595 PolarHBondContact O-N 2.93Å; L592-M595 HydrophobicContact CG-CE 4.33Å; L592-M595 WeakPolarHBondContact O-CB 3.47Å; L592-M595 PolarHBondContact O-N 3.36Å; L592-M595 VanDerWaalsContact O-N 3.14Å; N593-M595 VanDerWaalsContact C-N 3.33Å; N593-M595 PolarHBondContact O-N 3.35Å; M595-S597 VanDerWaalsContact C-N 3.33Å; M595-E598 PolarHBondContact O-N 3.01Å; M595-Q599 WeakPolarHBondContact O-CG 3.5Å; M595-Q599 PolarHBondContact O-N 3.21Å
596F88.8Confident80.3Confident5 Ų567.2 Ų67.22%0.02233%0.328CS..Hα-helixtrans-66.2-34.5176.5-78.95.9000112.3V387 P533 I534 C548 F579 L592 N593 E598 Q599 Y600V387-F596 HydrophobicContact CG1-CE2 3.91Å; V387-F596 HydrophobicContact CG1-CZ 3.93Å; P533-F596 HydrophobicContact CG-CZ 4.36Å; I534-F596 HydrophobicContact CD1-CD1 4.48Å; I534-F596 HydrophobicContact CD1-CE1 4.43Å; I534-F596 HydrophobicContact CG2-CD1 4.38Å; I534-F596 HydrophobicContact CG2-CD2 3.86Å; I534-F596 HydrophobicContact CG2-CE1 4.49Å; I534-F596 HydrophobicContact CG2-CE2 4Å; I534-F596 HydrophobicContact CG2-CG 4.06Å; I534-F596 HydrophobicContact CG2-CZ 4.32Å; C548-F596 HydrophobicContact CB-CE1 4.16Å; C548-F596 HydrophobicContact CB-CZ 3.76Å; F579-F596 HydrophobicContact CZ-CB 4.08Å; L592-F596 HydrophobicContact CD2-CD1 4.4Å; L592-F596 HydrophobicContact CD2-CD2 3.78Å; L592-F596 HydrophobicContact CD2-CE1 4.33Å; L592-F596 HydrophobicContact CD2-CE2 3.69Å; L592-F596 HydrophobicContact CD2-CG 4.15Å; L592-F596 HydrophobicContact CD2-CZ 3.98Å; L592-F596 PolarHBondContact O-N 3.04Å; N593-F596 PolarHBondContact O-N 3.38Å; F596-E598 VanDerWaalsContact C-N 3.33Å; F596-E598 PolarHBondContact O-N 3.3Å; F596-Q599 WeakPolarHBondContact O-CB 3.44Å; F596-Q599 PolarHBondContact O-N 3.39Å; F596-Q599 VanDerWaalsContact O-N 3.11Å; F596-Y600 WeakPolarHBondContact O-CB 3.46Å; F596-Y600 PolarHBondContact O-N 2.88Å
597S85.9Confident82.8Confident12 Ų1260.7 Ų60.78%0.08429%0.294CS..Hα-helixtrans-56.1-46.9172.5-167.90000111.8F579 N593 M594 M595 Q599 Y600 K601F579-S597 VanDerWaalsContact CE1-CB 3.42Å; N593-S597 WeakPolarHBondContact O-CB 3.39Å; N593-S597 PolarHBondContact O-N 2.89Å; M594-S597 VanDerWaalsContact O-CB 3.29Å; M594-S597 WeakPolarHBondContact O-CB 3.37Å; M594-S597 PolarHBondContact O-N 3.03Å; M595-S597 VanDerWaalsContact C-N 3.33Å; S597-Q599 VanDerWaalsContact C-N 3.3Å; S597-Q599 PolarHBondContact O-N 3.43Å; S597-Y600 WeakPolarHBondContact O-CB 3.13Å; S597-Y600 PolarHBondContact O-N 3.48Å; S597-K601 PolarHBondContact O-N 3.12Å
598E89.4Confident85.3Confident97 Ų9750.6 Ų50.645%0.45325%0.25SC..Hα-helixtrans-63.7-35.2176.8-68.7-61.2151.500112.6W538 M594 M595 F596 Y600 K601W538-E598 PolarHBondContact NE1-O 3.09Å; M594-E598 PolarHBondContact O-N 2.91Å; M595-E598 PolarHBondContact O-N 3.01Å; F596-E598 VanDerWaalsContact C-N 3.33Å; F596-E598 PolarHBondContact O-N 3.3Å; E598-Y600 VanDerWaalsContact C-N 3.26Å; E598-Y600 PolarHBondContact O-N 2.84Å; E598-K601 IonicContact OE1-NZ 2.87Å; E598-K601 PolarHBondContact OE1-NZ 3.35Å; E598-K601 WeakPolarHBondContact OE2-CE 3.2Å; E598-K601 IonicContact OE2-NZ 2.92Å; E598-K601 PolarHBondContact OE2-NZ 3.01Å
599Q92.5Very high87.7Confident14 Ų1442.5 Ų42.57%0.06522%0.217CC..Hα-helixtrans-68.7-26.6174.1-59.7-52-46.600112.4R261 I534 S541 V545 M595 F596 S597R261-Q599 PolarHBondContact NH1-O 2.97Å; R261-Q599 PolarHBondContact NH2-O 3.43Å; I534-Q599 HydrophobicContact CD1-CB 4.02Å; I534-Q599 HydrophobicContact CD1-CG 4.15Å; S541-Q599 PolarHBondContact OG-NE2 3.12Å; S541-Q599 PolarHBondContact OG-OE1 3.49Å; V545-Q599 HydrophobicContact CG1-CG 4.23Å; V545-Q599 HydrophobicContact CG2-CG 3.89Å; M595-Q599 WeakPolarHBondContact O-CG 3.5Å; M595-Q599 PolarHBondContact O-N 3.21Å; F596-Q599 WeakPolarHBondContact O-CB 3.44Å; F596-Q599 PolarHBondContact O-N 3.39Å; F596-Q599 VanDerWaalsContact O-N 3.11Å; S597-Q599 VanDerWaalsContact C-N 3.3Å; S597-Q599 PolarHBondContact O-N 3.43Å
600Y89.4Confident89.7Confident6 Ų638.3 Ų38.32%0.02420%0.201CC..Hα-helixtrans-84.9-19.6-175.7-138-118.4000113.7S392 P535 V571 D575 L576 F579 F596 S597 E598 H602 S603S392-Y600 WeakPolarHBondContact CB-OH 3.44Å; S392-Y600 PolarHBondContact N-OH 3.43Å; S392-Y600 PolarHBondContact OG-OH 3.16Å; P535-Y600 HydrophobicContact CG-CD2 4.15Å; P535-Y600 HydrophobicContact CG-CE2 3.94Å; V571-Y600 HydrophobicContact CG1-CE1 4.46Å; D575-Y600 HydrophobicContact CB-CE1 4.4Å; L576-Y600 HydrophobicContact CD2-CD1 3.57Å; L576-Y600 HydrophobicContact CD2-CE1 3.72Å; L576-Y600 HydrophobicContact CD2-CG 4.47Å; F579-Y600 HydrophobicContact CB-CD1 3.84Å; F579-Y600 HydrophobicContact CB-CE1 3.94Å; F579-Y600 AromaticContact CD2-CD1 3.72Å; F579-Y600 HydrophobicContact CD2-CD1 3.72Å; F579-Y600 HydrophobicContact CD2-CD2 4.44Å; F579-Y600 AromaticContact CD2-CE1 3.93Å; F579-Y600 HydrophobicContact CD2-CE1 3.93Å; F579-Y600 AromaticContact CD2-CG 3.99Å; F579-Y600 HydrophobicContact CD2-CG 3.99Å; F579-Y600 HydrophobicContact CE2-CG 4.38Å; F579-Y600 AromaticContact CG-CD1 3.8Å; F579-Y600 HydrophobicContact CG-CD1 3.8Å; F579-Y600 HydrophobicContact CG-CE1 4.19Å; F579-Y600 HydrophobicContact CG-CG 4.33Å; F596-Y600 WeakPolarHBondContact O-CB 3.46Å; F596-Y600 PolarHBondContact O-N 2.88Å; S597-Y600 WeakPolarHBondContact O-CB 3.13Å; S597-Y600 PolarHBondContact O-N 3.48Å; E598-Y600 VanDerWaalsContact C-N 3.26Å; E598-Y600 PolarHBondContact O-N 2.84Å; Y600-H602 PolarHBondContact O-N 3.15Å; Y600-S603 VanDerWaalsContact O-CB 3.28Å; Y600-S603 WeakPolarHBondContact O-CB 3.34Å; Y600-S603 PolarHBondContact O-N 2.91Å; Y600-S603 VanDerWaalsContact O-N 3.14Å; Y600-S603 PolarHBondContact O-OG 3.22Å
601K88.1Confident90.8Very high97 Ų9735.9 Ų35.942%0.42218%0.184SC..THydrogen-bonded Turntrans-55.3131.3174.8-69.7-179.3-176.71670110.6R261 W538 S597 E598 S603R261-K601 PolarHBondContact NH2-O 2.86Å; W538-K601 WeakPolarHBondContact CZ2-O 3.42Å; S597-K601 PolarHBondContact O-N 3.12Å; E598-K601 IonicContact OE1-NZ 2.87Å; E598-K601 PolarHBondContact OE1-NZ 3.35Å; E598-K601 WeakPolarHBondContact OE2-CE 3.2Å; E598-K601 IonicContact OE2-NZ 2.92Å; E598-K601 PolarHBondContact OE2-NZ 3.01Å; K601-S603 VanDerWaalsContact C-N 3.26Å; K601-S603 PolarHBondContact O-N 3.18Å
602H90.6Very high91.7Very high148 Ų14833.9 Ų33.969%0.68517%0.17SC*.THydrogen-bonded Turntrans56.935.2-179.6-46-66.7000113.7R261 W538 Y600R261-H602 PolarHBondContact NH2-O 3.08Å; W538-H602 HydrophobicContact CH2-CB 4.46Å; Y600-H602 PolarHBondContact O-N 3.15Å
603S94.3Very high92.4Very high0 Ų033.2 Ų33.20%017%0.167CC..  trans-93.8-1.8175.666.70000113.9V571 Y600 K601 G605 L606V571-S603 VanDerWaalsContact CB-O 3.27Å; V571-S603 WeakPolarHBondContact CB-O 3.38Å; V571-S603 WeakPolarHBondContact CG2-O 3.49Å; Y600-S603 VanDerWaalsContact O-CB 3.28Å; Y600-S603 WeakPolarHBondContact O-CB 3.34Å; Y600-S603 PolarHBondContact O-N 2.91Å; Y600-S603 VanDerWaalsContact O-N 3.14Å; Y600-S603 PolarHBondContact O-OG 3.22Å; K601-S603 VanDerWaalsContact C-N 3.26Å; K601-S603 PolarHBondContact O-N 3.18Å; S603-G605 PolarHBondContact O-N 3.26Å; S603-L606 VanDerWaalsContact O-CB 3.26Å; S603-L606 WeakPolarHBondContact O-CB 3.35Å; S603-L606 PolarHBondContact O-N 3.47Å
604E95.2Very high93.2Very high93 Ų9330.1 Ų30.144%0.43515%0.15SC..THydrogen-bonded Turntrans-50.7128179.2-171.8-178.2168.100111.1H258 K573 L576 L606H258-E604 PolarHBondContact NE2-O 3.09Å; K573-E604 VanDerWaalsContact CE-CD 3.47Å; K573-E604 WeakPolarHBondContact CE-OE1 3.39Å; K573-E604 WeakPolarHBondContact CE-OE2 3.44Å; K573-E604 HydrophobicContact CG-CG 4.34Å; K573-E604 VanDerWaalsContact CG-OE1 3.32Å; K573-E604 WeakPolarHBondContact CG-OE1 3.5Å; L576-E604 HydrophobicContact CD1-CB 4.14Å; E604-L606 VanDerWaalsContact C-N 3.29Å; E604-L606 PolarHBondContact O-N 2.97Å
605G95.6Very high93.8Very high22 Ų2227.1 Ų27.123%0.22713%0.134CC..THydrogen-bonded Turntrans83.6-5.7-179.700000114.9R570 V571 S603R570-G605 WeakPolarHBondContact CD-O 3.48Å; R570-G605 PolarHBondContact NH1-O 3.03Å; V571-G605 PolarHBondContact O-N 3.48Å; S603-G605 PolarHBondContact O-N 3.26Å
606L97.5Very high94.3Very high0 Ų027.9 Ų27.90%014%0.14CC..  trans-64139.8170.1-77.5175.2000110.7H258 R261 P535 A536 R570 V571 S603 E604H258-L606 HydrophobicContact CB-CD2 3.95Å; H258-L606 WeakPolarHBondContact ND1-CD2 3.35Å; R261-L606 HydrophobicContact CG-CD1 4.19Å; R261-L606 HydrophobicContact CG-CD2 4.34Å; P535-L606 HydrophobicContact CB-CB 3.85Å; P535-L606 HydrophobicContact CB-CD1 4.07Å; A536-L606 HydrophobicContact CB-CD1 4.27Å; A536-L606 HydrophobicContact CB-CD2 4.17Å; R570-L606 CarbonylContact C-O 3.58Å; R570-L606 WeakPolarHBondContact CA-O 3.29Å; R570-L606 WeakPolarHBondContact CB-O 3.27Å; V571-L606 HydrophobicContact CG2-CB 4.19Å; V571-L606 PolarHBondContact N-O 2.83Å; S603-L606 VanDerWaalsContact O-CB 3.26Å; S603-L606 WeakPolarHBondContact O-CB 3.35Å; S603-L606 PolarHBondContact O-N 3.47Å; E604-L606 VanDerWaalsContact C-N 3.29Å; E604-L606 PolarHBondContact O-N 2.97Å
607P97Very high94.6Very high3 Ų333.3 Ų33.32%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-71.2153178.230.2-33.9000111.7A293 F294 G296 S567A293-P607 WeakPolarHBondContact O-CG 3.46Å; F294-P607 WeakPolarHBondContact O-CG 3.43Å; G296-P607 VanDerWaalsContact CA-CB 3.49Å; G296-P607 VanDerWaalsContact N-CG 3.31Å; S567-P607 WeakPolarHBondContact OG-CB 3.31Å
608I96.7Very high95.1Very high3 Ų335.8 Ų35.82%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-115121.1177.3-65.9158.2000108.5V393 V396 S567 M568 G569 V571V393-I608 HydrophobicContact CG2-CG2 4.02Å; V396-I608 HydrophobicContact CB-CG2 4.02Å; V396-I608 HydrophobicContact CG1-CG2 3.94Å; V396-I608 HydrophobicContact CG2-CB 4.22Å; V396-I608 HydrophobicContact CG2-CD1 3.59Å; V396-I608 HydrophobicContact CG2-CG2 4.06Å; S567-I608 CarbonylContact C-O 3.46Å; S567-I608 WeakPolarHBondContact CA-O 3.35Å; M568-I608 PolarHBondContact N-O 2.98Å; M568-I608 WeakPolarHBondContact O-CB 3.36Å; G569-I608 PolarHBondContact O-N 3.18Å; V571-I608 HydrophobicContact CG2-CD1 4.35Å; V571-I608 HydrophobicContact CG2-CG1 4.41Å
609G96Very high95.5Very high9 Ų931.1 Ų31.19%0.09315%0.152CC..EExtended strand (participates in β ladder)trans-89.9132.4-178.800000112.2T531T531-G609 PolarHBondContact N-O 3.32Å; T531-G609 VanDerWaalsContact OG1-C 3.28Å; T531-G609 PolarHBondContact OG1-O 2.94Å
610V97Very high95.8Very high0 Ų030.9 Ų30.90%015%0.15CC..EExtended strand (participates in β ladder)trans-117.1147.8170.3179.20000109.2V396 M397 I400 V528 T531 T565 L566 M568V396-V610 HydrophobicContact CG1-CG2 3.92Å; M397-V610 HydrophobicContact CE-CG1 4.32Å; M397-V610 HydrophobicContact SD-CB 4.47Å; M397-V610 HydrophobicContact SD-CG1 4Å; M397-V610 HydrophobicContact SD-CG2 3.72Å; I400-V610 HydrophobicContact CD1-CB 4.01Å; I400-V610 HydrophobicContact CD1-CG1 3.88Å; I400-V610 HydrophobicContact CD1-CG2 3.5Å; I400-V610 VanDerWaalsContact CD1-CG2 3.5Å; V528-V610 HydrophobicContact CG1-CG1 3.86Å; T531-V610 VanDerWaalsContact OG1-C 3.27Å; T531-V610 PolarHBondContact OG1-N 2.8Å; T531-V610 PolarHBondContact OG1-O 3.12Å; T565-V610 CarbonylContact C-O 3.54Å; T565-V610 WeakPolarHBondContact CA-O 3.36Å; T565-V610 WeakPolarHBondContact CB-O 3.46Å; T565-V610 PolarHBondContact OG1-O 3.38Å; L566-V610 PolarHBondContact N-O 3.24Å; L566-V610 PolarHBondContact O-N 2.88Å; M568-V610 HydrophobicContact CB-CG2 3.97Å; M568-V610 HydrophobicContact CG-CB 3.99Å; M568-V610 HydrophobicContact CG-CG2 3.97Å
611Q97.2Very high96.1Very high0 Ų030.8 Ų30.80%015%0.15CC..EExtended strand (participates in β ladder)trans-122.7133.4-173-178.9176-113.800110.6R289 V528 C529 F552 A563 G564 V613R289-Q611 VanDerWaalsContact CD-OE1 3.32Å; V528-Q611 WeakPolarHBondContact CA-O 3.32Å; C529-Q611 PolarHBondContact N-O 2.6Å; C529-Q611 WeakPolarHBondContact O-CA 3.37Å; C529-Q611 WeakPolarHBondContact O-CB 3.27Å; C529-Q611 PolarHBondContact O-N 3.13Å; C529-Q611 PolarHBondContact SG-NE2 2.79Å; C529-Q611 VanDerWaalsContact SG-NE2 3.36Å; F552-Q611 PolarHBondContact O-NE2 2.6Å; F552-Q611 VanDerWaalsContact O-NE2 3.12Å; A563-Q611 HydrophobicContact CB-CG 4.25Å; G564-Q611 CarbonylContact O-C 3.58Å; G564-Q611 WeakPolarHBondContact O-CA 3.33Å; Q611-V613 HydrophobicContact CG-CG2 3.81Å
612V98.1Very high96.6Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-110.4132.7170.5179.30000108.5V526 L527 V528 A563 G564 A622 L625 L626 L629V526-V612 HydrophobicContact CB-CG1 4.43Å; V526-V612 HydrophobicContact CG1-CG1 4.43Å; L527-V612 WeakPolarHBondContact O-CA 3.31Å; V528-V612 HydrophobicContact CG2-CG2 4.26Å; A563-V612 WeakPolarHBondContact CA-O 3.36Å; G564-V612 PolarHBondContact N-O 2.85Å; G564-V612 PolarHBondContact O-N 3.21Å; V612-A622 HydrophobicContact CG1-CB 4.04Å; V612-L625 HydrophobicContact CG1-CB 4.22Å; V612-L625 HydrophobicContact CG1-CD2 3.88Å; V612-L625 HydrophobicContact CG1-CG 4.34Å; V612-L625 HydrophobicContact CG2-CD2 4.31Å; V612-L625 HydrophobicContact CG2-CG 4.41Å; V612-L626 HydrophobicContact CB-CD1 4.48Å; V612-L626 HydrophobicContact CB-CD2 3.68Å; V612-L626 HydrophobicContact CB-CG 3.86Å; V612-L626 HydrophobicContact CG2-CD2 3.4Å; V612-L626 VanDerWaalsContact CG2-CD2 3.4Å; V612-L626 HydrophobicContact CG2-CG 3.85Å; V612-L629 HydrophobicContact CG2-CD1 3.43Å; V612-L629 VanDerWaalsContact CG2-CD1 3.43Å
613V98.3Very high96.9Very high0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-129.3134.1-177.4-173.10000109.9W519 V526 L527 Y556 C561 P562 A563 Q611W519-V613 HydrophobicContact CH2-CG1 4.17Å; V526-V613 CarbonylContact C-O 3.5Å; V526-V613 VanDerWaalsContact CA-O 3.27Å; V526-V613 WeakPolarHBondContact CA-O 3.28Å; V526-V613 WeakPolarHBondContact CB-O 3.45Å; L527-V613 HydrophobicContact CB-CB 4.34Å; L527-V613 PolarHBondContact N-O 3.4Å; L527-V613 PolarHBondContact O-N 3.16Å; Y556-V613 HydrophobicContact CD1-CB 4.16Å; Y556-V613 HydrophobicContact CD1-CG1 3.39Å; Y556-V613 HydrophobicContact CD1-CG2 3.94Å; Y556-V613 HydrophobicContact CD2-CG2 3.77Å; Y556-V613 HydrophobicContact CE1-CB 4Å; Y556-V613 HydrophobicContact CE1-CG1 3.63Å; Y556-V613 HydrophobicContact CE1-CG2 3.82Å; Y556-V613 HydrophobicContact CE2-CG2 3.68Å; Y556-V613 HydrophobicContact CG-CB 4.5Å; Y556-V613 HydrophobicContact CG-CG1 3.89Å; Y556-V613 HydrophobicContact CG-CG2 3.85Å; C561-V613 HydrophobicContact CB-CG1 3.52Å; P562-V613 WeakPolarHBondContact O-CA 3.42Å; P562-V613 WeakPolarHBondContact O-CG1 3.22Å; A563-V613 HydrophobicContact CB-CG1 4.5Å; A563-V613 HydrophobicContact CB-CG2 3.88Å; Q611-V613 HydrophobicContact CG-CG2 3.81Å
614A98.1Very high97Very high0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-113.5170.8169.800000111V526 C561 P562 N618 A622V526-A614 HydrophobicContact CG1-CB 4.01Å; C561-A614 VanDerWaalsContact CB-O 3.22Å; C561-A614 WeakPolarHBondContact CB-O 3.31Å; P562-A614 WeakPolarHBondContact CD-O 3.36Å; P562-A614 HydrophobicContact CG-CB 4.16Å; P562-A614 PolarHBondContact O-N 2.91Å; A614-N618 HydrophobicContact CB-CB 3.95Å; A614-N618 VanDerWaalsContact CB-O 3.25Å; A614-N618 WeakPolarHBondContact CB-O 3.12Å; A614-A622 HydrophobicContact CB-CB 3.94Å
615K97.8Very high97.1Very high41 Ų4114.7 Ų14.718%0.1788%0.077CC..  trans-62.9155.5167.9-66.1174-168.6164.30110.2W519 N520 L524 P562 W617 N618W519-K615 HydrophobicContact CD2-CG 4Å; W519-K615 HydrophobicContact CE3-CG 4.18Å; W519-K615 HydrophobicContact CH2-CG 4.33Å; W519-K615 HydrophobicContact CZ2-CG 4.07Å; W519-K615 HydrophobicContact CZ3-CG 4.37Å; W519-K615 VanDerWaalsContact NE1-CE 3.32Å; N520-K615 WeakPolarHBondContact OD1-CE 3.49Å; N520-K615 PolarHBondContact OD1-NZ 3.21Å; L524-K615 PolarHBondContact O-NZ 2.83Å; P562-K615 WeakPolarHBondContact CD-O 3.46Å; K615-W617 PolarHBondContact O-N 3.2Å; K615-N618 WeakPolarHBondContact O-CB 3.4Å; K615-N618 PolarHBondContact O-N 2.99Å; K615-N618 VanDerWaalsContact O-N 3.12Å
616P96.6Very high97.2Very high35 Ų3513.6 Ų13.623%0.2277%0.066CC..THydrogen-bonded Turntrans-48.4138.8174.7-26.834.9000111.7T303 F516 N618T303-P616 HydrophobicContact CG2-CB 4.16Å; F516-P616 HydrophobicContact CE1-CG 4.41Å; F516-P616 HydrophobicContact CZ-CG 3.89Å; P616-N618 VanDerWaalsContact C-N 3.25Å; P616-N618 PolarHBondContact O-N 3.23Å
617W95.8Very high97Very high119 Ų11914.7 Ų14.745%0.4517%0.072SC..THydrogen-bonded Turntrans716.6-179.1-45.6106.3000116.5T303 R306 M358 K615T303-W617 HydrophobicContact CG2-CD2 3.81Å; T303-W617 HydrophobicContact CG2-CE3 3.95Å; T303-W617 HydrophobicContact CG2-CG 4.33Å; T303-W617 HydrophobicContact CG2-CH2 4.28Å; T303-W617 HydrophobicContact CG2-CZ2 4.13Å; T303-W617 HydrophobicContact CG2-CZ3 4.19Å; T303-W617 PolarHBondContact OG1-N 2.86Å; R306-W617 HydrophobicContact CB-CZ3 4.41Å; M358-W617 HydrophobicContact CE-CE3 3.47Å; M358-W617 VanDerWaalsContact CE-CE3 3.47Å; M358-W617 HydrophobicContact CE-CZ3 3.86Å; M358-W617 HydrophobicContact SD-CE3 4.26Å; K615-W617 PolarHBondContact O-N 3.2Å
618N96.5Very high96.8Very high64 Ų6417.8 Ų17.834%0.3428%0.084SC..  trans-108.139.8171.6-65.4-34.6000111.6A614 K615 P616 E620 L621 A622A614-N618 HydrophobicContact CB-CB 3.95Å; A614-N618 VanDerWaalsContact CB-O 3.25Å; A614-N618 WeakPolarHBondContact CB-O 3.12Å; K615-N618 WeakPolarHBondContact O-CB 3.4Å; K615-N618 PolarHBondContact O-N 2.99Å; K615-N618 VanDerWaalsContact O-N 3.12Å; P616-N618 VanDerWaalsContact C-N 3.25Å; P616-N618 PolarHBondContact O-N 3.23Å; N618-E620 VanDerWaalsContact C-N 3.32Å; N618-E620 PolarHBondContact O-N 2.89Å; N618-L621 HydrophobicContact CB-CB 4.23Å; N618-L621 HydrophobicContact CB-CD1 4.5Å; N618-L621 WeakPolarHBondContact O-CB 3.24Å; N618-L621 PolarHBondContact O-N 3.27Å; N618-A622 PolarHBondContact O-N 3.27Å
619D98Very high96.6Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-58.3-42.5-176.3-55.2-123.7000112.4F300 P302 T303 R306 W344 P562 L621 A622 L623F300-D619 HydrophobicContact CE1-CB 3.85Å; F300-D619 HydrophobicContact CZ-CB 3.85Å; F300-D619 WeakPolarHBondContact CZ-O 3.38Å; P302-D619 WeakPolarHBondContact CA-OD1 3.4Å; P302-D619 WeakPolarHBondContact CB-OD1 3.32Å; T303-D619 PolarHBondContact N-OD1 3.48Å; T303-D619 PolarHBondContact OG1-OD1 3.09Å; T303-D619 PolarHBondContact OG1-OD2 3.27Å; R306-D619 IonicContact CZ-OD2 3.74Å; R306-D619 IonicContact NH1-OD1 2.82Å; R306-D619 IonicContact NH1-OD2 2.8Å; R306-D619 PolarHBondContact NH1-OD2 3.38Å; W344-D619 HydrophobicContact CH2-CB 3.85Å; W344-D619 HydrophobicContact CZ3-CB 4.49Å; P562-D619 HydrophobicContact CB-CB 4.13Å; P562-D619 WeakPolarHBondContact CB-OD1 3.49Å; P562-D619 HydrophobicContact CG-CB 4.43Å; D619-L621 PolarHBondContact O-N 2.71Å; D619-A622 PolarHBondContact O-N 3.41Å; D619-A622 VanDerWaalsContact O-N 3.15Å; D619-L623 WeakPolarHBondContact O-CG 3.45Å; D619-L623 PolarHBondContact O-N 2.77Å
620E97.8Very high96.4Very high8 Ų818.5 Ų18.54%0.0378%0.084CC..Hα-helixtrans-61.1-32.5179.9-7389.215900112.8R306 F360 N361 E364 N618 L623 G624R306-E620 IonicContact CZ-OE1 3.03Å; R306-E620 IonicContact CZ-OE2 3.58Å; R306-E620 IonicContact NH1-OE1 3.53Å; R306-E620 IonicContact NH1-OE2 3.6Å; R306-E620 PolarHBondContact NH1-OE2 3.09Å; R306-E620 VanDerWaalsContact NH2-CD 3.34Å; R306-E620 IonicContact NH2-OE1 2.72Å; R306-E620 PolarHBondContact NH2-OE1 3.31Å; R306-E620 IonicContact NH2-OE2 2.71Å; R306-E620 PolarHBondContact NH2-OE2 2.78Å; F360-E620 HydrophobicContact CD1-CG 4.39Å; F360-E620 HydrophobicContact CD2-CG 4.33Å; F360-E620 HydrophobicContact CE1-CG 4.12Å; F360-E620 HydrophobicContact CE2-CG 4.05Å; F360-E620 HydrophobicContact CG-CG 4.48Å; F360-E620 HydrophobicContact CZ-CG 3.94Å; N361-E620 HydrophobicContact CB-CG 4.16Å; N361-E620 PolarHBondContact N-OE1 2.69Å; E364-E620 HydrophobicContact CB-CB 4.17Å; E364-E620 HydrophobicContact CG-CB 4.3Å; N618-E620 VanDerWaalsContact C-N 3.32Å; N618-E620 PolarHBondContact O-N 2.89Å; E620-L623 PolarHBondContact O-N 3.01Å; E620-G624 PolarHBondContact O-N 3.05Å
621L96.6Very high95.9Very high4 Ų420 Ų202%0.02110%0.095CC..Hα-helixtrans-67.4-45.4177.1-163.9174000109.7E364 I368 L375 D525 V526 N618 D619 G624 L625E364-L621 HydrophobicContact CG-CB 4.37Å; I368-L621 HydrophobicContact CD1-CB 4.2Å; I368-L621 HydrophobicContact CD1-CD2 4.26Å; I368-L621 HydrophobicContact CD1-CG 3.72Å; L375-L621 HydrophobicContact CD1-CD2 3.84Å; L375-L621 HydrophobicContact CD2-CD2 4.39Å; D525-L621 HydrophobicContact CB-CD1 4.37Å; D525-L621 HydrophobicContact CB-CD2 4.41Å; V526-L621 HydrophobicContact CB-CD2 4.43Å; V526-L621 HydrophobicContact CG1-CD2 3.13Å; V526-L621 HydrophobicContact CG1-CG 4.5Å; N618-L621 HydrophobicContact CB-CB 4.23Å; N618-L621 HydrophobicContact CB-CD1 4.5Å; N618-L621 WeakPolarHBondContact O-CB 3.24Å; N618-L621 PolarHBondContact O-N 3.27Å; D619-L621 PolarHBondContact O-N 2.71Å; L621-G624 PolarHBondContact O-N 3.4Å; L621-L625 PolarHBondContact O-N 3.16Å
622A97.7Very high95.2Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-63.4-44173.500000112.2F300 V612 A614 N618 D619 G624 L625 L626F300-A622 HydrophobicContact CE2-CB 3.85Å; F300-A622 HydrophobicContact CZ-CB 4.17Å; V612-A622 HydrophobicContact CG1-CB 4.04Å; A614-A622 HydrophobicContact CB-CB 3.94Å; N618-A622 PolarHBondContact O-N 3.27Å; D619-A622 PolarHBondContact O-N 3.41Å; D619-A622 VanDerWaalsContact O-N 3.15Å; A622-G624 PolarHBondContact O-N 2.85Å; A622-L625 PolarHBondContact O-N 2.79Å; A622-L626 VanDerWaalsContact O-CG 3.25Å; A622-L626 WeakPolarHBondContact O-CG 3.28Å; A622-L626 PolarHBondContact O-N 2.87Å
623L97.9Very high94Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-60.5-44.3177.4-72.4166.7000112.3F300 I333 V337 L340 F360 Y365 D619 E620 L625 L626 V627F300-L623 HydrophobicContact CB-CD2 4.19Å; F300-L623 HydrophobicContact CD1-CD2 4.15Å; F300-L623 HydrophobicContact CD1-CG 4.47Å; F300-L623 HydrophobicContact CD2-CD2 3.37Å; F300-L623 HydrophobicContact CD2-CG 3.92Å; F300-L623 HydrophobicContact CE1-CD1 4.32Å; F300-L623 HydrophobicContact CE1-CD2 4.37Å; F300-L623 HydrophobicContact CE1-CG 4.21Å; F300-L623 HydrophobicContact CE2-CD2 3.67Å; F300-L623 HydrophobicContact CE2-CG 3.65Å; F300-L623 HydrophobicContact CG-CD2 3.65Å; F300-L623 HydrophobicContact CG-CG 4.34Å; F300-L623 HydrophobicContact CZ-CD1 4.3Å; F300-L623 HydrophobicContact CZ-CD2 4.16Å; F300-L623 HydrophobicContact CZ-CG 3.79Å; I333-L623 HydrophobicContact CD1-CD2 4.15Å; I333-L623 HydrophobicContact CG1-CD2 4.37Å; V337-L623 HydrophobicContact CG2-CB 4.36Å; V337-L623 HydrophobicContact CG2-CD1 4.44Å; V337-L623 HydrophobicContact CG2-CD2 4.03Å; L340-L623 HydrophobicContact CD1-CD1 3.67Å; L340-L623 HydrophobicContact CD1-CD2 4.13Å; F360-L623 HydrophobicContact CE2-CD1 3.84Å; F360-L623 HydrophobicContact CZ-CD1 4.41Å; Y365-L623 HydrophobicContact CD2-CB 4.04Å; Y365-L623 HydrophobicContact CE2-CB 4.12Å; D619-L623 WeakPolarHBondContact O-CG 3.45Å; D619-L623 PolarHBondContact O-N 2.77Å; E620-L623 PolarHBondContact O-N 3.01Å; L623-L625 VanDerWaalsContact C-N 3.33Å; L623-L625 PolarHBondContact O-N 3.15Å; L623-L626 PolarHBondContact O-N 3.12Å; L623-V627 WeakPolarHBondContact O-CG2 3.42Å; L623-V627 PolarHBondContact O-N 2.79Å; L623-V627 VanDerWaalsContact O-N 3.1Å
624G96.5Very high92.1Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-59.8-43.4177.900000112I368 E620 L621 A622 V627 R628I368-G624 VanDerWaalsContact CG2-C 3.47Å; E620-G624 PolarHBondContact O-N 3.05Å; L621-G624 PolarHBondContact O-N 3.4Å; A622-G624 PolarHBondContact O-N 2.85Å; G624-V627 PolarHBondContact O-N 3.33Å; G624-R628 PolarHBondContact O-N 2.97Å
625L96.4Very high89.7Confident0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-69.1-35.8177-177.162.4000112.3I368 L375 I377 L404 V526 V528 V612 L621 A622 L623 V627 R628 L629I368-L625 HydrophobicContact CG2-CB 4.42Å; L375-L625 HydrophobicContact CD1-CB 4.45Å; I377-L625 HydrophobicContact CD1-CD1 4.11Å; I377-L625 HydrophobicContact CD1-CD2 3.84Å; I377-L625 HydrophobicContact CG1-CD2 4.39Å; L404-L625 HydrophobicContact CD2-CD1 3.76Å; V526-L625 HydrophobicContact CB-CD2 4.47Å; V526-L625 HydrophobicContact CG2-CD2 3.56Å; V528-L625 HydrophobicContact CG2-CD2 4.01Å; V612-L625 HydrophobicContact CG1-CB 4.22Å; V612-L625 HydrophobicContact CG1-CD2 3.88Å; V612-L625 HydrophobicContact CG1-CG 4.34Å; V612-L625 HydrophobicContact CG2-CD2 4.31Å; V612-L625 HydrophobicContact CG2-CG 4.41Å; L621-L625 PolarHBondContact O-N 3.16Å; A622-L625 PolarHBondContact O-N 2.79Å; L623-L625 VanDerWaalsContact C-N 3.33Å; L623-L625 PolarHBondContact O-N 3.15Å; L625-V627 VanDerWaalsContact C-N 3.34Å; L625-V627 PolarHBondContact O-N 3.47Å; L625-R628 HydrophobicContact CD1-CB 4.47Å; L625-R628 CarbonylContact O-C 3.42Å; L625-R628 WeakPolarHBondContact O-CB 3.4Å; L625-R628 PolarHBondContact O-N 3.16Å; L625-R628 VanDerWaalsContact O-N 3.13Å; L625-L629 HydrophobicContact CG-CG 4.42Å; L625-L629 WeakPolarHBondContact O-CG 3.4Å; L625-L629 PolarHBondContact O-N 3.18Å
626L96.7Very high89.3Confident0 Ų037.2 Ų37.20%021%0.211CC..Hα-helixtrans-61.2-42175.8-71.2163.7000111.9F300 I333 L566 V612 A622 L623 R628 L629 Q630F300-L626 HydrophobicContact CD2-CD1 3.75Å; F300-L626 HydrophobicContact CE2-CD1 4.02Å; I333-L626 HydrophobicContact CD1-CB 3.99Å; I333-L626 HydrophobicContact CD1-CD1 3.74Å; I333-L626 HydrophobicContact CD1-CG 4.41Å; I333-L626 HydrophobicContact CG1-CB 3.74Å; I333-L626 HydrophobicContact CG1-CD1 4.35Å; L566-L626 HydrophobicContact CD2-CD2 3.37Å; V612-L626 HydrophobicContact CB-CD1 4.48Å; V612-L626 HydrophobicContact CB-CD2 3.68Å; V612-L626 HydrophobicContact CB-CG 3.86Å; V612-L626 HydrophobicContact CG2-CD2 3.4Å; V612-L626 VanDerWaalsContact CG2-CD2 3.4Å; V612-L626 HydrophobicContact CG2-CG 3.85Å; A622-L626 VanDerWaalsContact O-CG 3.25Å; A622-L626 WeakPolarHBondContact O-CG 3.28Å; A622-L626 PolarHBondContact O-N 2.87Å; L623-L626 PolarHBondContact O-N 3.12Å; L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 2.79Å; L626-L629 PolarHBondContact O-N 3.14Å; L626-Q630 PolarHBondContact O-N 3.3Å
627V95.3Very high88.9Confident22 Ų2237.3 Ų37.313%0.13321%0.211CC..Hα-helixtrans-59-43.8172.8176.10000110.3I333 Y365 A369 L623 G624 L625 Q630 S631I333-V627 HydrophobicContact CG2-CB 4.1Å; I333-V627 HydrophobicContact CG2-CG2 3.46Å; I333-V627 VanDerWaalsContact CG2-CG2 3.46Å; Y365-V627 HydrophobicContact CE2-CG2 3.95Å; Y365-V627 WeakPolarHBondContact OH-CG2 3.36Å; A369-V627 HydrophobicContact CB-CB 4.21Å; A369-V627 HydrophobicContact CB-CG1 4.06Å; L623-V627 WeakPolarHBondContact O-CG2 3.42Å; L623-V627 PolarHBondContact O-N 2.79Å; L623-V627 VanDerWaalsContact O-N 3.1Å; G624-V627 PolarHBondContact O-N 3.33Å; L625-V627 VanDerWaalsContact C-N 3.34Å; L625-V627 PolarHBondContact O-N 3.47Å; V627-Q630 WeakPolarHBondContact O-CB 3.37Å; V627-Q630 PolarHBondContact O-N 3.46Å; V627-S631 PolarHBondContact O-N 3.5Å
628R92.5Very high88.5Confident69 Ų6932.8 Ų32.826%0.2620%0.197SC..Hα-helixtrans-67.4-39.2180-170.867.7-167.7149-1.8112.7Q407 G624 L625 L626 Q630 S631Q407-R628 VanDerWaalsContact NE2-CZ 3.33Å; Q407-R628 VanDerWaalsContact NE2-NE 3.18Å; Q407-R628 VanDerWaalsContact OE1-NE 3.09Å; G624-R628 PolarHBondContact O-N 2.97Å; L625-R628 HydrophobicContact CD1-CB 4.47Å; L625-R628 CarbonylContact O-C 3.42Å; L625-R628 WeakPolarHBondContact O-CB 3.4Å; L625-R628 PolarHBondContact O-N 3.16Å; L625-R628 VanDerWaalsContact O-N 3.13Å; L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 2.79Å; R628-Q630 VanDerWaalsContact C-N 3.34Å; R628-S631 PolarHBondContact NH1-OG 3.01Å; R628-S631 VanDerWaalsContact NH1-OG 3.16Å; R628-S631 WeakPolarHBondContact O-CB 3.27Å; R628-S631 PolarHBondContact O-N 2.91Å; R628-S631 PolarHBondContact O-OG 2.74Å
629L92.8Very high88.1Confident0 Ų030.9 Ų30.90%019%0.189CC..Hα-helixtrans-62.2-41173.5-76.5178.2000111.9I400 L404 L566 M568 V612 L625 L626 S631 I632I400-L629 HydrophobicContact CG2-CD2 3.67Å; L404-L629 HydrophobicContact CD1-CD2 4.01Å; L404-L629 HydrophobicContact CD2-CD2 3.58Å; L404-L629 HydrophobicContact CD2-CG 4.37Å; L404-L629 HydrophobicContact CG-CD2 3.79Å; L566-L629 HydrophobicContact CD1-CB 3.89Å; L566-L629 HydrophobicContact CD2-CB 4.25Å; L566-L629 HydrophobicContact CD2-CD1 3.98Å; M568-L629 HydrophobicContact SD-CB 4.41Å; V612-L629 HydrophobicContact CG2-CD1 3.43Å; V612-L629 VanDerWaalsContact CG2-CD1 3.43Å; L625-L629 HydrophobicContact CG-CG 4.42Å; L625-L629 WeakPolarHBondContact O-CG 3.4Å; L625-L629 PolarHBondContact O-N 3.18Å; L626-L629 PolarHBondContact O-N 3.14Å; L629-S631 PolarHBondContact O-N 3.38Å; L629-I632 HydrophobicContact CD2-CD1 3.78Å; L629-I632 WeakPolarHBondContact O-CB 3.36Å; L629-I632 PolarHBondContact O-N 3.31Å
630Q90.5Very high87.4Confident26 Ų2632.9 Ų32.912%0.12120%0.2CC..Hα-helixtrans-58-33.8176.9-165.4175.7-71.700111.9R332 I333 E334 L566 L626 V627 R628 I632 I633R332-Q630 VanDerWaalsContact NH2-NE2 3.16Å; I333-Q630 VanDerWaalsContact N-OE1 3.13Å; E334-Q630 PolarHBondContact OE1-NE2 2.9Å; E334-Q630 PolarHBondContact OE2-NE2 3.42Å; L566-Q630 HydrophobicContact CD1-CB 4.14Å; L626-Q630 PolarHBondContact O-N 3.3Å; V627-Q630 WeakPolarHBondContact O-CB 3.37Å; V627-Q630 PolarHBondContact O-N 3.46Å; R628-Q630 VanDerWaalsContact C-N 3.34Å; Q630-I632 VanDerWaalsContact C-N 3.26Å; Q630-I632 PolarHBondContact O-N 2.85Å; Q630-I633 PolarHBondContact O-N 3.42Å
631S85.9Confident86.8Confident32 Ų3234.5 Ų34.522%0.22421%0.211CC..Hα-helixtrans-67.3-22177.3770000114.4V627 R628 L629 I633 T634 A635V627-S631 PolarHBondContact O-N 3.5Å; R628-S631 PolarHBondContact NH1-OG 3.01Å; R628-S631 VanDerWaalsContact NH1-OG 3.16Å; R628-S631 WeakPolarHBondContact O-CB 3.27Å; R628-S631 PolarHBondContact O-N 2.91Å; R628-S631 PolarHBondContact O-OG 2.74Å; L629-S631 PolarHBondContact O-N 3.38Å; S631-I633 VanDerWaalsContact C-N 3.35Å; S631-T634 WeakPolarHBondContact CA-OG1 3.46Å; S631-T634 PolarHBondContact O-OG1 2.96Å; S631-A635 PolarHBondContact O-N 3.41Å
632I83.2Confident86.1Confident31 Ų3136.7 Ų36.716%0.15923%0.225CC..Hα-helixtrans-70.8-31.9178.3-60.3172.5000111.1L404 M568 L629 Q630L404-I632 HydrophobicContact CD2-CD1 4.41Å; L404-I632 HydrophobicContact CG-CD1 4.49Å; M568-I632 HydrophobicContact CE-CB 4.35Å; L629-I632 HydrophobicContact CD2-CD1 3.78Å; L629-I632 WeakPolarHBondContact O-CB 3.36Å; L629-I632 PolarHBondContact O-N 3.31Å; Q630-I632 VanDerWaalsContact C-N 3.26Å; Q630-I632 PolarHBondContact O-N 2.85Å
633I72.5Confident85.2Confident87 Ų8739.5 Ų39.545%0.44624%0.242SC..Hα-helixtrans-74.8-35.6178.3-57.7159.8000111.4S567 M568 Q630 S631 A635S567-I633 VanDerWaalsContact O-CD1 3.27Å; S567-I633 WeakPolarHBondContact O-CD1 3.43Å; M568-I633 HydrophobicContact CE-CD1 4.15Å; M568-I633 HydrophobicContact CE-CG1 3.74Å; M568-I633 HydrophobicContact CG-CD1 4.49Å; M568-I633 HydrophobicContact SD-CD1 3.31Å; M568-I633 WeakPolarHBondContact SD-CD1 3.06Å; M568-I633 HydrophobicContact SD-CG1 3.63Å; Q630-I633 PolarHBondContact O-N 3.42Å; S631-I633 VanDerWaalsContact C-N 3.35Å; I633-A635 VanDerWaalsContact C-N 3.34Å
634T59.2Low84.1Confident111 Ų11142.8 Ų42.868%0.68126%0.262SS*.Hα-helixtrans-80.8-13.6-175.344.70000114.1S631S631-T634 WeakPolarHBondContact CA-OG1 3.46Å; S631-T634 PolarHBondContact O-OG1 2.96Å
635A47.9Very low83Confident136 Ų13646.7 Ų46.7100%1.12429%0.286SS*.  trans-93.40176.900000110S631 I633S631-A635 PolarHBondContact O-N 3.41Å; I633-A635 VanDerWaalsContact C-N 3.34Å

Retrieved 635 of 635 residues in 330.1 ms (Link to these results)

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