A0A061IFW2_CRIGR Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A061IFW2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tmem215, Length 228 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
1M51Low63.4Low241 Ų241130.5 Ų130.5100%1.18767%0.673SS**  0121.30-84.9164.9152.300107.2
2R53.3Low64.4Low218 Ų218128.6 Ų128.682%0.82366%0.664SS**  trans-73.6130.6174-77.9-172.6177.2155-1108.2D4R2-D4 PolarHBondContact O-N 3.36Å
3P59.1Low65.4Low98 Ų98122.2 Ų122.264%0.63663%0.634SS**G310 helixtrans-68.3-13.4-178.225.9-31.8000113.5D5P3-D5 VanDerWaalsContact C-N 3.32Å; P3-D5 PolarHBondContact O-N 3.46Å
4D56.7Low66.4Low146 Ų146119.8 Ų119.878%0.78163%0.627SS**G310 helixtrans-84.31.9-173.7-53.3-68.4000115.1R2R2-D4 PolarHBondContact O-N 3.36Å
5D59.8Low67.2Low140 Ų140115.2 Ų115.275%0.74961%0.613SS**G310 helixtrans-107.822.2-178.6-155.218.7000112.5P3 N7P3-D5 VanDerWaalsContact C-N 3.32Å; P3-D5 PolarHBondContact O-N 3.46Å; D5-N7 PolarHBondContact O-N 3.26Å
6I64.3Low67.7Low111 Ų111113.9 Ų113.957%0.56961%0.606SS**  trans-79.5109.5175.9-62.7174.4000107.8P8I6-P8 VanDerWaalsContact O-N 3.15Å
7N69.1Low68.4Low108 Ų108107.5 Ų107.558%0.57857%0.572SS**  trans-46.6123.5169.6-81.3-75.9000109.7D5 R9 T10 G11D5-N7 PolarHBondContact O-N 3.26Å; N7-R9 PolarHBondContact O-N 3.02Å; N7-T10 WeakPolarHBondContact O-CA 3.4Å; N7-T10 WeakPolarHBondContact O-CB 3.36Å; N7-T10 PolarHBondContact O-N 3.32Å; N7-G11 PolarHBondContact O-N 3.42Å
8P67.3Low69.2Low106 Ų106104.5 Ų104.569%0.68856%0.561SS**Hα-helixtrans-59.8-26.4-174.621.5-32.9000112I6 G11 L12I6-P8 VanDerWaalsContact O-N 3.15Å; P8-G11 PolarHBondContact O-N 3.29Å; P8-L12 WeakPolarHBondContact O-CB 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å
9R67.9Low69.8Low165 Ų165102.8 Ų102.862%0.62355%0.554SS**Hα-helixtrans-66.1-41172.2-65.1-172.9177.7-166.2-0.3112.9N7 L12 V13N7-R9 PolarHBondContact O-N 3.02Å; R9-L12 PolarHBondContact O-N 3.01Å; R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.34Å; R9-V13 PolarHBondContact O-N 2.84Å
10T73Confident70.2Confident68 Ų68102.5 Ų102.542%0.41755%0.548SS..Hα-helixtrans-67.7-42.2175.3-53.80000110.3N7 L12 V13 V14N7-T10 WeakPolarHBondContact O-CA 3.4Å; N7-T10 WeakPolarHBondContact O-CB 3.36Å; N7-T10 PolarHBondContact O-N 3.32Å; T10-L12 PolarHBondContact O-N 3.42Å; T10-V13 PolarHBondContact O-N 3.4Å; T10-V14 HydrophobicContact CG2-CG2 4.44Å; T10-V14 WeakPolarHBondContact O-CB 3.18Å; T10-V14 WeakPolarHBondContact O-CG2 3.42Å; T10-V14 PolarHBondContact O-N 3.48Å
11G75.9Confident70.7Confident34 Ų34100.9 Ų100.935%0.35154%0.539SS..Hα-helixtrans-58.6-44173.600000112.7N7 P8 V14 A15N7-G11 PolarHBondContact O-N 3.42Å; P8-G11 PolarHBondContact O-N 3.29Å; G11-V14 PolarHBondContact O-N 3.4Å; G11-A15 VanDerWaalsContact O-CB 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.33Å; G11-A15 PolarHBondContact O-N 2.86Å
12L74.9Confident72.2Confident108 Ų10893.5 Ų93.557%0.56551%0.507SS*.Hα-helixtrans-65.1-44.7177.7-175.670.9000112.7P8 R9 T10 A15 L16P8-L12 WeakPolarHBondContact O-CB 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å; R9-L12 PolarHBondContact O-N 3.01Å; T10-L12 PolarHBondContact O-N 3.42Å; L12-A15 PolarHBondContact O-N 3.09Å; L12-L16 HydrophobicContact CD1-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 4.1Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.16Å; L12-L16 PolarHBondContact O-N 3.26Å
13V78.3Confident73.5Confident46 Ų4688.5 Ų88.528%0.27949%0.492SS..Hα-helixtrans-64-43.3177.7172.20000110.5R9 T10 L16 V17 I57 A60R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.34Å; R9-V13 PolarHBondContact O-N 2.84Å; T10-V13 PolarHBondContact O-N 3.4Å; V13-L16 PolarHBondContact O-N 3.43Å; V13-V17 HydrophobicContact CG1-CG2 4.16Å; V13-V17 WeakPolarHBondContact O-CB 3.14Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 2.84Å; V13-I57 HydrophobicContact CG1-CG1 4.49Å; V13-A60 HydrophobicContact CG1-CB 4.43Å
14V78.9Confident74.4Confident88 Ų8883.9 Ų83.953%0.53346%0.461SS..Hα-helixtrans-63-43.6176.2172.40000110.7T10 G11 V17 S18T10-V14 HydrophobicContact CG2-CG2 4.44Å; T10-V14 WeakPolarHBondContact O-CB 3.18Å; T10-V14 WeakPolarHBondContact O-CG2 3.42Å; T10-V14 PolarHBondContact O-N 3.48Å; G11-V14 PolarHBondContact O-N 3.4Å; V14-V17 PolarHBondContact O-N 3.06Å; V14-S18 VanDerWaalsContact O-CB 3.22Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 3.22Å
15A78.3Confident75.5Confident51 Ų5183.6 Ų83.642%0.42145%0.454SS..Hα-helixtrans-61.3-49.5176.800000111.7G11 L12 V17 S18 V19G11-A15 VanDerWaalsContact O-CB 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.33Å; G11-A15 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 3.09Å; A15-V17 PolarHBondContact O-N 3.37Å; A15-S18 PolarHBondContact O-N 2.81Å; A15-S18 PolarHBondContact O-OG 3.35Å; A15-V19 PolarHBondContact O-N 2.87Å
16L75.9Confident76.6Confident95 Ų9582.5 Ų82.550%0.49745%0.446SS..Hα-helixtrans-61.6-46.2178.5-73.6172.9000111.5L12 V13 S18 V19 F20L12-L16 HydrophobicContact CD1-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 4.1Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.16Å; L12-L16 PolarHBondContact O-N 3.26Å; V13-L16 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.93Å; L16-V19 PolarHBondContact O-N 2.91Å; L16-F20 WeakPolarHBondContact O-CD2 3.33Å; L16-F20 PolarHBondContact O-N 2.67Å
17V79.2Confident77.1Confident5 Ų580.2 Ų80.23%0.0343%0.431CS..Hα-helixtrans-71.6-30.6-177.9-178.30000111.5V13 V14 A15 V19 F20 L21 I57V13-V17 HydrophobicContact CG1-CG2 4.16Å; V13-V17 WeakPolarHBondContact O-CB 3.14Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 2.84Å; V14-V17 PolarHBondContact O-N 3.06Å; A15-V17 PolarHBondContact O-N 3.37Å; V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 PolarHBondContact O-N 2.87Å; V17-F20 PolarHBondContact O-N 2.9Å; V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 3.87Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.11Å; V17-I57 HydrophobicContact CB-CD1 3.73Å; V17-I57 HydrophobicContact CB-CG1 3.95Å; V17-I57 HydrophobicContact CG1-CD1 3.24Å; V17-I57 HydrophobicContact CG1-CG1 3.74Å; V17-I57 HydrophobicContact CG2-CD1 4.06Å; V17-I57 HydrophobicContact CG2-CG1 3.67Å
18S81.9Confident77.4Confident53 Ų5377 Ų7737%0.37142%0.416SS..Hα-helixtrans-58.3-40.4174.976.50000111.9V14 A15 L16 L21 V22V14-S18 VanDerWaalsContact O-CB 3.22Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 3.22Å; A15-S18 PolarHBondContact O-N 2.81Å; A15-S18 PolarHBondContact O-OG 3.35Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.93Å; S18-L21 PolarHBondContact O-N 2.94Å; S18-V22 WeakPolarHBondContact O-CB 3.48Å; S18-V22 VanDerWaalsContact O-CG2 3.24Å; S18-V22 WeakPolarHBondContact O-CG2 2.99Å; S18-V22 PolarHBondContact O-N 2.89Å
19V80.9Confident77.9Confident72 Ų7275.4 Ų75.444%0.43640%0.404SS..Hα-helixtrans-64.9-47.2178.1176.90000110.5A15 L16 V17 L21 V22 F23A15-V19 PolarHBondContact O-N 2.87Å; L16-V19 PolarHBondContact O-N 2.91Å; V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 PolarHBondContact O-N 2.87Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.2Å; V19-V22 PolarHBondContact O-N 3.41Å; V19-F23 HydrophobicContact CG1-CD2 3.53Å; V19-F23 HydrophobicContact CG1-CE2 3.56Å; V19-F23 WeakPolarHBondContact O-CB 3.07Å; V19-F23 WeakPolarHBondContact O-CD2 3.13Å; V19-F23 PolarHBondContact O-N 3.07Å
20F78.4Confident78.1Confident97 Ų9769.6 Ų69.643%0.42539%0.389SS..Hα-helixtrans-65-35.6177.8-68-68.7000113.4L16 V17 G24 I49 C50L16-F20 WeakPolarHBondContact O-CD2 3.33Å; L16-F20 PolarHBondContact O-N 2.67Å; V17-F20 PolarHBondContact O-N 2.9Å; F20-G24 PolarHBondContact O-N 3.39Å; F20-I49 HydrophobicContact CD1-CG2 3.92Å; F20-C50 PolarHBondContact O-SG 3.1Å; F20-C50 VanDerWaalsContact O-SG 3.4Å
21L79.7Confident77.8Confident69 Ų6966.8 Ų66.836%0.36137%0.374SS..Hα-helixtrans-70-42.8176.3-71.9175.2000111.6V17 S18 V19 F25 C50 I54V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 3.87Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.11Å; S18-L21 PolarHBondContact O-N 2.94Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.2Å; L21-F25 WeakPolarHBondContact O-CB 3.22Å; L21-F25 PolarHBondContact O-N 3.31Å; L21-C50 HydrophobicContact CD2-CB 4.47Å; L21-I54 HydrophobicContact CD2-CD1 4.33Å; L21-I54 HydrophobicContact CD2-CG1 4.01Å
22V82.9Confident77.4Confident85 Ų8572.2 Ų72.252%0.51539%0.392SS..Hα-helixtrans-64.7-50.5177.2170.40000110.3S18 V19 F25 M26S18-V22 WeakPolarHBondContact O-CB 3.48Å; S18-V22 VanDerWaalsContact O-CG2 3.24Å; S18-V22 WeakPolarHBondContact O-CG2 2.99Å; S18-V22 PolarHBondContact O-N 2.89Å; V19-V22 PolarHBondContact O-N 3.41Å; V22-F25 PolarHBondContact O-N 3.35Å; V22-M26 WeakPolarHBondContact O-CG 3.5Å; V22-M26 PolarHBondContact O-N 2.9Å
23F80.3Confident77.3Confident114 Ų11474.8 Ų74.850%0.540%0.398SS..Hα-helixtrans-64.2-45.9179.1-80.2-64.6000112.2V19 F25 M26 F27V19-F23 HydrophobicContact CG1-CD2 3.53Å; V19-F23 HydrophobicContact CG1-CE2 3.56Å; V19-F23 WeakPolarHBondContact O-CB 3.07Å; V19-F23 WeakPolarHBondContact O-CD2 3.13Å; V19-F23 PolarHBondContact O-N 3.07Å; F23-F25 VanDerWaalsContact C-N 3.31Å; F23-F25 PolarHBondContact O-N 3.19Å; F23-M26 PolarHBondContact O-N 3.25Å; F23-F27 HydrophobicContact CB-CE2 4.49Å; F23-F27 WeakPolarHBondContact O-CD2 3.27Å; F23-F27 PolarHBondContact O-N 3.33Å
24G78.9Confident76.5Confident0 Ų075.2 Ų75.20%041%0.412CS..Hα-helixtrans-67-31.3178.600000113F20 T28 G46 C50F20-G24 PolarHBondContact O-N 3.39Å; G24-T28 WeakPolarHBondContact O-CB 3.39Å; G24-T28 PolarHBondContact O-N 3.34Å; G24-T28 PolarHBondContact O-OG1 2.87Å; G24-G46 WeakPolarHBondContact O-CA 2.95Å; G24-C50 WeakPolarHBondContact CA-SG 3.49Å
25F79.9Confident75.8Confident140 Ų14075 Ų7561%0.61441%0.405SS*.Hα-helixtrans-65.8-46.8169.2179.5-103.7000111.6L21 V22 F23 F27 T28 V29L21-F25 WeakPolarHBondContact O-CB 3.22Å; L21-F25 PolarHBondContact O-N 3.31Å; V22-F25 PolarHBondContact O-N 3.35Å; F23-F25 VanDerWaalsContact C-N 3.31Å; F23-F25 PolarHBondContact O-N 3.19Å; F25-F27 VanDerWaalsContact C-N 3.3Å; F25-F27 PolarHBondContact O-N 2.66Å; F25-T28 PolarHBondContact O-N 3.44Å; F25-T28 VanDerWaalsContact O-N 3.09Å; F25-V29 HydrophobicContact CD1-CG2 4.08Å; F25-V29 HydrophobicContact CD2-CG2 4.15Å; F25-V29 HydrophobicContact CE1-CG2 3.66Å; F25-V29 HydrophobicContact CE2-CG2 3.72Å; F25-V29 HydrophobicContact CG-CG2 4.32Å; F25-V29 HydrophobicContact CZ-CG2 3.47Å; F25-V29 VanDerWaalsContact CZ-CG2 3.47Å; F25-V29 WeakPolarHBondContact O-CG2 3.42Å; F25-V29 PolarHBondContact O-N 3.38Å
26M81.6Confident75.1Confident118 Ų11876.6 Ų76.658%0.58141%0.41SS*.Hα-helixtrans-58.8-42.2175.9-69.6-159.493.400111.7V22 F23 T28 V29 S30V22-M26 WeakPolarHBondContact O-CG 3.5Å; V22-M26 PolarHBondContact O-N 2.9Å; F23-M26 PolarHBondContact O-N 3.25Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-T28 PolarHBondContact O-N 3.44Å; M26-V29 PolarHBondContact O-N 3.4Å; M26-S30 WeakPolarHBondContact O-CB 3.22Å; M26-S30 PolarHBondContact O-N 3.38Å; M26-S30 PolarHBondContact O-OG 2.88Å
27F76.4Confident74.2Confident62 Ų6277.8 Ų77.827%0.27242%0.416SS..Hα-helixtrans-65.8-35.7174.6-79.1-63000113.2F23 F25 G31 L37 L42 I45 I49F23-F27 HydrophobicContact CB-CE2 4.49Å; F23-F27 WeakPolarHBondContact O-CD2 3.27Å; F23-F27 PolarHBondContact O-N 3.33Å; F25-F27 VanDerWaalsContact C-N 3.3Å; F25-F27 PolarHBondContact O-N 2.66Å; F27-G31 WeakPolarHBondContact O-CA 3.38Å; F27-G31 PolarHBondContact O-N 3.4Å; F27-L37 HydrophobicContact CE1-CD1 4.27Å; F27-L42 HydrophobicContact CD1-CD2 3.8Å; F27-L42 HydrophobicContact CE1-CD2 4.14Å; F27-I45 HydrophobicContact CG-CG2 4.44Å; F27-I49 HydrophobicContact CD2-CD1 3.86Å; F27-I49 HydrophobicContact CE2-CD1 4.01Å
28T75.3Confident73.7Confident41 Ų4180.5 Ų80.525%0.25245%0.445SS..Hα-helixtrans-69.2-43.5176.4-53.10000110.9G24 F25 M26 G31 M32 L43G24-T28 WeakPolarHBondContact O-CB 3.39Å; G24-T28 PolarHBondContact O-N 3.34Å; G24-T28 PolarHBondContact O-OG1 2.87Å; F25-T28 PolarHBondContact O-N 3.44Å; F25-T28 VanDerWaalsContact O-N 3.09Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-T28 PolarHBondContact O-N 3.44Å; T28-G31 PolarHBondContact O-N 3.02Å; T28-M32 WeakPolarHBondContact O-CG 3.5Å; T28-M32 PolarHBondContact O-N 3.16Å; T28-L43 HydrophobicContact CG2-CD1 4.41Å
29V76.6Confident72.8Confident72 Ų7285.8 Ų85.844%0.43647%0.469SS..Hα-helixtrans-67.4-42.6177.7175.70000111.3F25 M26 G31 M32 K33F25-V29 HydrophobicContact CD1-CG2 4.08Å; F25-V29 HydrophobicContact CD2-CG2 4.15Å; F25-V29 HydrophobicContact CE1-CG2 3.66Å; F25-V29 HydrophobicContact CE2-CG2 3.72Å; F25-V29 HydrophobicContact CG-CG2 4.32Å; F25-V29 HydrophobicContact CZ-CG2 3.47Å; F25-V29 VanDerWaalsContact CZ-CG2 3.47Å; F25-V29 WeakPolarHBondContact O-CG2 3.42Å; F25-V29 PolarHBondContact O-N 3.38Å; M26-V29 PolarHBondContact O-N 3.4Å; V29-G31 VanDerWaalsContact C-N 3.32Å; V29-M32 PolarHBondContact O-N 2.91Å; V29-K33 PolarHBondContact O-N 2.97Å
30S73.2Confident71.9Confident43 Ų4387.1 Ų87.130%0.30147%0.473SS..Hα-helixtrans-63.9-37.6171.3-82.20000112M26 K33 E35M26-S30 WeakPolarHBondContact O-CB 3.22Å; M26-S30 PolarHBondContact O-N 3.38Å; M26-S30 PolarHBondContact O-OG 2.88Å; S30-K33 WeakPolarHBondContact O-CB 3.43Å; S30-K33 PolarHBondContact O-N 3.1Å; S30-E35 PolarHBondContact O-N 2.83Å; S30-E35 PolarHBondContact OG-OE2 3.47Å
31G67Low71.3Confident10 Ų1085.8 Ų85.810%0.10347%0.473CS..Hα-helixtrans-69.1-33.9176.500000114.3F27 T28 V29 K33 G34F27-G31 WeakPolarHBondContact O-CA 3.38Å; F27-G31 PolarHBondContact O-N 3.4Å; T28-G31 PolarHBondContact O-N 3.02Å; V29-G31 VanDerWaalsContact C-N 3.32Å; G31-K33 PolarHBondContact O-N 2.85Å; G31-G34 PolarHBondContact O-N 2.96Å
32M66.9Low70.6Confident148 Ų14883 Ų8373%0.72946%0.459SS*.Hα-helixtrans-63.5-26.9173.3-77.3-1796700112.4T28 V29 G34 L43T28-M32 WeakPolarHBondContact O-CG 3.5Å; T28-M32 PolarHBondContact O-N 3.16Å; V29-M32 PolarHBondContact O-N 2.91Å; M32-G34 PolarHBondContact O-N 3.27Å; M32-L43 HydrophobicContact CG-CD1 3.86Å
33K71.9Confident69.6Low161 Ų16183.1 Ų83.170%0.746%0.456SS*.THydrogen-bonded Turntrans-78.2-3.3175.2-158.6173.9169.7-156.70113V29 S30 G31 E35V29-K33 PolarHBondContact O-N 2.97Å; S30-K33 WeakPolarHBondContact O-CB 3.43Å; S30-K33 PolarHBondContact O-N 3.1Å; G31-K33 PolarHBondContact O-N 2.85Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.49Å; K33-E35 IonicContact NZ-OE1 3.36Å; K33-E35 PolarHBondContact NZ-OE1 3.3Å
34G63.3Low69.2Low55 Ų5580.3 Ų80.357%0.56745%0.454SS*.THydrogen-bonded Turntrans80.611.1-179.600000113.9G31 M32 T36G31-G34 PolarHBondContact O-N 2.96Å; M32-G34 PolarHBondContact O-N 3.27Å; G34-T36 PolarHBondContact O-N 3.3Å
35E63Low69Low83 Ų8382.3 Ų82.339%0.38846%0.464SS..  trans-69.7119173.8-64.3173.2177.100107.9S30 K33 L42S30-E35 PolarHBondContact O-N 2.83Å; S30-E35 PolarHBondContact OG-OE2 3.47Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.49Å; K33-E35 IonicContact NZ-OE1 3.36Å; K33-E35 PolarHBondContact NZ-OE1 3.3Å; E35-L42 HydrophobicContact CB-CD1 4.07Å; E35-L42 WeakPolarHBondContact O-CB 3.44Å; E35-L42 WeakPolarHBondContact O-CD1 3.06Å; E35-L42 WeakPolarHBondContact O-CG 3.2Å
36T62.7Low68.5Low85 Ų8575.6 Ų75.652%0.52144%0.435SS..EExtended strand (participates in β ladder)trans-107.2127.9175.463.60000108.9G34 G38G34-T36 PolarHBondContact O-N 3.3Å; T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.37Å; T36-G38 PolarHBondContact O-N 3.46Å; T36-G38 PolarHBondContact OG1-O 3.1Å
37L58.2Low68.1Low121 Ų12172.7 Ų72.763%0.63443%0.425SS*.EExtended strand (participates in β ladder)trans-77.882.3163.1-87.8173.4000106.8F27 L42F27-L37 HydrophobicContact CE1-CD1 4.27Å; L37-L42 HydrophobicContact CB-CD2 3.79Å; L37-L42 HydrophobicContact CB-CG 4.46Å; L37-L42 HydrophobicContact CD1-CD2 3.61Å; L37-L42 HydrophobicContact CG-CD1 4.46Å; L37-L42 HydrophobicContact CG-CD2 3.74Å; L37-L42 HydrophobicContact CG-CG 4.46Å
38G69.1Low68.1Low61 Ų6172.8 Ų72.863%0.62944%0.437SS*.THydrogen-bonded Turntrans75.5-129.5-176.600000112.9T36T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.37Å; T36-G38 PolarHBondContact O-N 3.46Å; T36-G38 PolarHBondContact OG1-O 3.1Å
39N62.3Low68Low165 Ų16573.2 Ų73.288%0.88244%0.437SS*.THydrogen-bonded Turntrans-91.45.4-172.3-151.15.9000113.9
40I61.7Low67.8Low100 Ų10070.6 Ų70.651%0.51342%0.422SS..EExtended strand (participates in β ladder)trans-118125.5-176.9-56.8173.6000108.2L42 I45I40-L42 PolarHBondContact O-N 3.42Å; I40-I45 HydrophobicContact CB-CD1 4.43Å; I40-I45 HydrophobicContact CG2-CD1 3.89Å; I40-I45 HydrophobicContact CG2-CG1 4.08Å
41P66.8Low67.8Low68 Ų6873.7 Ų73.744%0.44243%0.434SS..EExtended strand (participates in β ladder)trans-66.7128.2178.226.2-32000109.8L43 A44P41-L43 HydrophobicContact CB-CB 4.39Å; P41-L43 PolarHBondContact O-N 3.25Å; P41-A44 HydrophobicContact CG-CB 4.11Å; P41-A44 PolarHBondContact O-N 3.4Å
42L64.6Low68.1Low10 Ų1077.1 Ų77.15%0.05246%0.455CS..Hα-helixtrans-57.3-24174.6-70.5-179.7000112.3F27 E35 L37 I40 A44 I45 G46F27-L42 HydrophobicContact CD1-CD2 3.8Å; F27-L42 HydrophobicContact CE1-CD2 4.14Å; E35-L42 HydrophobicContact CB-CD1 4.07Å; E35-L42 WeakPolarHBondContact O-CB 3.44Å; E35-L42 WeakPolarHBondContact O-CD1 3.06Å; E35-L42 WeakPolarHBondContact O-CG 3.2Å; L37-L42 HydrophobicContact CB-CD2 3.79Å; L37-L42 HydrophobicContact CB-CG 4.46Å; L37-L42 HydrophobicContact CD1-CD2 3.61Å; L37-L42 HydrophobicContact CG-CD1 4.46Å; L37-L42 HydrophobicContact CG-CD2 3.74Å; L37-L42 HydrophobicContact CG-CG 4.46Å; I40-L42 PolarHBondContact O-N 3.42Å; L42-A44 PolarHBondContact O-N 3.3Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.35Å; L42-I45 VanDerWaalsContact O-N 3.11Å; L42-G46 PolarHBondContact O-N 2.93Å; L42-G46 VanDerWaalsContact O-N 3.1Å
43L62.7Low68.2Low88 Ų8870.2 Ų70.246%0.46142%0.421SS..Hα-helixtrans-57.6-33171.9-164.680.5000113.2T28 M32 P41 P47T28-L43 HydrophobicContact CG2-CD1 4.41Å; M32-L43 HydrophobicContact CG-CD1 3.86Å; P41-L43 HydrophobicContact CB-CB 4.39Å; P41-L43 PolarHBondContact O-N 3.25Å; L43-P47 WeakPolarHBondContact O-CD 3.42Å; L43-P47 WeakPolarHBondContact O-CG 3.22Å
44A71.1Confident68.3Low55 Ų5566.8 Ų66.846%0.45541%0.41SS..Hα-helixtrans-83.3-25.5177.200000112.4P41 L42 A48P41-A44 HydrophobicContact CG-CB 4.11Å; P41-A44 PolarHBondContact O-N 3.4Å; L42-A44 PolarHBondContact O-N 3.3Å; A44-A48 PolarHBondContact O-N 3.47Å
45I74.4Confident68.8Low42 Ų4266.5 Ų66.522%0.21540%0.402CS..Hα-helixtrans-77.5-37.5-177.8-68.8164.7000111.2F27 I40 L42 A48 I49F27-I45 HydrophobicContact CG-CG2 4.44Å; I40-I45 HydrophobicContact CB-CD1 4.43Å; I40-I45 HydrophobicContact CG2-CD1 3.89Å; I40-I45 HydrophobicContact CG2-CG1 4.08Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.35Å; L42-I45 VanDerWaalsContact O-N 3.11Å; I45-A48 WeakPolarHBondContact O-CB 3.29Å; I45-A48 PolarHBondContact O-N 2.86Å; I45-A48 VanDerWaalsContact O-N 3.16Å; I45-I49 HydrophobicContact CG2-CD1 3.51Å; I45-I49 HydrophobicContact CG2-CG1 4.2Å; I45-I49 WeakPolarHBondContact O-CG1 3.11Å; I45-I49 PolarHBondContact O-N 3.33Å
46G70.3Confident69Low0 Ų064.6 Ų64.60%040%0.401CS..Hα-helixtrans-52.9-54.6176.700000113.5G24 L42 A48 I49 C50G24-G46 WeakPolarHBondContact O-CA 2.95Å; L42-G46 PolarHBondContact O-N 2.93Å; L42-G46 VanDerWaalsContact O-N 3.1Å; G46-A48 PolarHBondContact O-N 3.46Å; G46-I49 PolarHBondContact O-N 2.87Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 3.33Å
47P72.1Confident69.4Low57 Ų5763.1 Ų63.137%0.3739%0.389SS..Hα-helixtrans-61.5-39.8174.1-23.833.4000113L43 I49 C50 L51L43-P47 WeakPolarHBondContact O-CD 3.42Å; L43-P47 WeakPolarHBondContact O-CG 3.22Å; P47-I49 PolarHBondContact O-N 3.45Å; P47-C50 PolarHBondContact O-N 3.46Å; P47-L51 HydrophobicContact CB-CD1 4.28Å; P47-L51 WeakPolarHBondContact O-CB 3.43Å; P47-L51 WeakPolarHBondContact O-CD1 3.04Å; P47-L51 WeakPolarHBondContact O-CG 3.34Å; P47-L51 PolarHBondContact O-N 3.47Å
48A76.1Confident69.9Low63 Ų6360 Ų6052%0.52138%0.381SS..Hα-helixtrans-60.9-33179.100000112.8A44 I45 G46 P52A44-A48 PolarHBondContact O-N 3.47Å; I45-A48 WeakPolarHBondContact O-CB 3.29Å; I45-A48 PolarHBondContact O-N 2.86Å; I45-A48 VanDerWaalsContact O-N 3.16Å; G46-A48 PolarHBondContact O-N 3.46Å; A48-P52 WeakPolarHBondContact O-CD 3.13Å
49I74.6Confident69.6Low50 Ų5062 Ų6226%0.25638%0.377SS..Hα-helixtrans-85.3-36178.1-62.9171.7000111.6F20 F27 I45 G46 P47F20-I49 HydrophobicContact CD1-CG2 3.92Å; F27-I49 HydrophobicContact CD2-CD1 3.86Å; F27-I49 HydrophobicContact CE2-CD1 4.01Å; I45-I49 HydrophobicContact CG2-CD1 3.51Å; I45-I49 HydrophobicContact CG2-CG1 4.2Å; I45-I49 WeakPolarHBondContact O-CG1 3.11Å; I45-I49 PolarHBondContact O-N 3.33Å; G46-I49 PolarHBondContact O-N 2.87Å; P47-I49 PolarHBondContact O-N 3.45Å
50C71.8Confident69.7Low17 Ų1755.2 Ų55.212%0.11534%0.343CS..Hα-helixtrans-75.9-35.5179.3-80.80000114F20 L21 G24 G46 P47 G53 I54F20-C50 PolarHBondContact O-SG 3.1Å; F20-C50 VanDerWaalsContact O-SG 3.4Å; L21-C50 HydrophobicContact CD2-CB 4.47Å; G24-C50 WeakPolarHBondContact CA-SG 3.49Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 3.33Å; P47-C50 PolarHBondContact O-N 3.46Å; C50-G53 PolarHBondContact O-N 2.96Å; C50-G53 VanDerWaalsContact O-N 3.1Å; C50-I54 HydrophobicContact CB-CD1 4.39Å; C50-I54 WeakPolarHBondContact O-CG1 3.32Å; C50-I54 PolarHBondContact O-N 3.4Å
51L73.7Confident69.8Low108 Ų10860.6 Ų60.657%0.56536%0.357SS*.Hα-helixtrans-60.7-42.5-173.5-77.2168.1000113.8P47 G53 I54 A55P47-L51 HydrophobicContact CB-CD1 4.28Å; P47-L51 WeakPolarHBondContact O-CB 3.43Å; P47-L51 WeakPolarHBondContact O-CD1 3.04Å; P47-L51 WeakPolarHBondContact O-CG 3.34Å; P47-L51 PolarHBondContact O-N 3.47Å; L51-G53 VanDerWaalsContact C-N 3.29Å; L51-G53 PolarHBondContact O-N 3.36Å; L51-I54 PolarHBondContact O-N 3.48Å; L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.44Å; L51-A55 PolarHBondContact O-N 2.91Å
52P72.4Confident69.6Low82 Ų8265.7 Ų65.753%0.53237%0.372SS..Hα-helixtrans-59.4-38.4172.9-2534.5000113A48 A56A48-P52 WeakPolarHBondContact O-CD 3.13Å; P52-A56 WeakPolarHBondContact O-CB 3.31Å; P52-A56 PolarHBondContact O-N 2.89Å
53G70.4Confident69.3Low3 Ų366.3 Ų66.33%0.03138%0.376CS..Hα-helixtrans-67.4-45.6177.200000112.7C50 L51 A55 A56 I57C50-G53 PolarHBondContact O-N 2.96Å; C50-G53 VanDerWaalsContact O-N 3.1Å; L51-G53 VanDerWaalsContact C-N 3.29Å; L51-G53 PolarHBondContact O-N 3.36Å; G53-A55 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.38Å; G53-A56 PolarHBondContact O-N 3.04Å; G53-I57 PolarHBondContact O-N 3.39Å
54I73.1Confident68.9Low89 Ų8969.9 Ų69.946%0.45639%0.391SS..Hα-helixtrans-64.4-40176.9-63.3169.5000110.7L21 C50 L51 I57 A58L21-I54 HydrophobicContact CD2-CD1 4.33Å; L21-I54 HydrophobicContact CD2-CG1 4.01Å; C50-I54 HydrophobicContact CB-CD1 4.39Å; C50-I54 WeakPolarHBondContact O-CG1 3.32Å; C50-I54 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 3.48Å; I54-I57 PolarHBondContact O-N 3Å; I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.39Å
55A73.1Confident68.1Low49 Ų4968.3 Ų68.341%0.40538%0.38SS..Hα-helixtrans-63.4-41175.600000112L51 G53 A58 L59L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.44Å; L51-A55 PolarHBondContact O-N 2.91Å; G53-A55 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.38Å; A55-A58 PolarHBondContact O-N 2.83Å; A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.97Å
56A69.1Low67.1Low43 Ų4369 Ų6936%0.35539%0.388SS..Hα-helixtrans-64.1-40.8175.700000112.4P52 G53 L59 A60P52-A56 WeakPolarHBondContact O-CB 3.31Å; P52-A56 PolarHBondContact O-N 2.89Å; G53-A56 PolarHBondContact O-N 3.04Å; A56-L59 PolarHBondContact O-N 3.28Å; A56-A60 VanDerWaalsContact O-CB 3.31Å; A56-A60 WeakPolarHBondContact O-CB 3.31Å; A56-A60 PolarHBondContact O-N 3.15Å
57I69.9Low66.1Low55 Ų5573.9 Ų73.928%0.28242%0.418SS..Hα-helixtrans-64.5-47173-66.5-176.5000110.8V13 V17 G53 I54 L59 A60 R61V13-I57 HydrophobicContact CG1-CG1 4.49Å; V17-I57 HydrophobicContact CB-CD1 3.73Å; V17-I57 HydrophobicContact CB-CG1 3.95Å; V17-I57 HydrophobicContact CG1-CD1 3.24Å; V17-I57 HydrophobicContact CG1-CG1 3.74Å; V17-I57 HydrophobicContact CG2-CD1 4.06Å; V17-I57 HydrophobicContact CG2-CG1 3.67Å; G53-I57 PolarHBondContact O-N 3.39Å; I54-I57 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact C-N 3.27Å; I57-L59 PolarHBondContact O-N 2.88Å; I57-A60 PolarHBondContact O-N 3.04Å; I57-R61 HydrophobicContact CG2-CG 4.15Å; I57-R61 WeakPolarHBondContact O-CB 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.34Å; I57-R61 PolarHBondContact O-N 3.34Å
58A67.9Low64.7Low56 Ų5679.2 Ų79.246%0.46344%0.435SS..Hα-helixtrans-60.6-40.5-179.700000111.2I54 A55 K62I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.39Å; A55-A58 PolarHBondContact O-N 2.83Å; A58-K62 VanDerWaalsContact O-CB 3.25Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.47Å
59L63.1Low63.3Low103 Ų10383.5 Ų83.554%0.53944%0.438SS..Hα-helixtrans-63.9-50.7172.8-78.1166.1000111.2A55 A56 I57 R61 K62 T63A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.97Å; A56-L59 PolarHBondContact O-N 3.28Å; I57-L59 VanDerWaalsContact C-N 3.27Å; I57-L59 PolarHBondContact O-N 2.88Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-K62 CarbonylContact O-C 3.55Å; L59-K62 PolarHBondContact O-N 3.24Å; L59-T63 WeakPolarHBondContact O-CB 3.38Å; L59-T63 WeakPolarHBondContact O-CG2 3.38Å; L59-T63 PolarHBondContact O-N 2.87Å; L59-T63 PolarHBondContact O-OG1 3.45Å
60A64.3Low61.8Low22 Ų2284.2 Ų84.218%0.18245%0.446CS..Hα-helixtrans-61-34.8179.800000112.9V13 A56 I57 E64 G65V13-A60 HydrophobicContact CG1-CB 4.43Å; A56-A60 VanDerWaalsContact O-CB 3.31Å; A56-A60 WeakPolarHBondContact O-CB 3.31Å; A56-A60 PolarHBondContact O-N 3.15Å; I57-A60 PolarHBondContact O-N 3.04Å; A60-E64 PolarHBondContact O-N 2.91Å; A60-G65 PolarHBondContact O-N 3.44Å
61R63.5Low61Low212 Ų21291.4 Ų91.480%0.848%0.478SS*.Hα-helixtrans-70.9-37.3173.4-72.8-175.471.4-172.22112.4I57 L59I57-R61 HydrophobicContact CG2-CG 4.15Å; I57-R61 WeakPolarHBondContact O-CB 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.34Å; I57-R61 PolarHBondContact O-N 3.34Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.46Å
62K63.8Low59.7Low176 Ų17693.1 Ų93.177%0.76549%0.488SS*.Hα-helixtrans-77.2-25.3178.4-168.4175.5177.3-175.70112.6A58 L59A58-K62 VanDerWaalsContact O-CB 3.25Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.47Å; L59-K62 CarbonylContact O-C 3.55Å; L59-K62 PolarHBondContact O-N 3.24Å
63T57.8Low58.6Low22 Ų2296.7 Ų96.714%0.13550%0.497CS..THydrogen-bonded Turntrans-110.215.2-175.366.30000114.4L59 G65 C66L59-T63 WeakPolarHBondContact O-CB 3.38Å; L59-T63 WeakPolarHBondContact O-CG2 3.38Å; L59-T63 PolarHBondContact O-N 2.87Å; L59-T63 PolarHBondContact O-OG1 3.45Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.06Å; T63-C66 PolarHBondContact O-N 2.83Å; T63-C66 PolarHBondContact OG1-N 3.02Å
64E54Low57.5Low163 Ų163100.6 Ų100.676%0.76252%0.517SS*.THydrogen-bonded Turntrans47.151.2-179.2-65.3-179.9172.700112.4A60 T67A60-E64 PolarHBondContact O-N 2.91Å; E64-T67 PolarHBondContact O-OG1 3.24Å
65G54.4Low56.2Low22 Ų22101.8 Ų101.823%0.22752%0.524CS..THydrogen-bonded Turntrans72.930.8175.400000115.5A60 T63 T67A60-G65 PolarHBondContact O-N 3.44Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.06Å; G65-T67 PolarHBondContact O-N 2.96Å
66C54.3Low54.8Low58 Ų58110.8 Ų110.839%0.39255%0.547SS..THydrogen-bonded Turntrans63.931.4176.8-65.20000114.9T63T63-C66 PolarHBondContact O-N 2.83Å; T63-C66 PolarHBondContact OG1-N 3.02Å
67T48.4Very low53.7Low102 Ų102112.6 Ų112.663%0.62655%0.554SS**THydrogen-bonded Turntrans-90.5-21.6174.955.70000113E64 G65E64-T67 PolarHBondContact O-OG1 3.24Å; G65-T67 PolarHBondContact O-N 2.96Å
68K43.6Very low52.4Low169 Ų169118.8 Ų118.874%0.73557%0.573SS**SBendtrans-126.9103.3166.3-78.5178.5177.9171.50109.2
69W45.6Very low50.9Low153 Ų153125.4 Ų125.458%0.5859%0.592SS**  trans-68.9132.9171.3-87.677.9000109.7E71 L74 F83W69-E71 PolarHBondContact O-N 2.87Å; W69-L74 HydrophobicContact CE3-CD1 4.29Å; W69-L74 HydrophobicContact CZ3-CD1 3.89Å; W69-F83 HydrophobicContact CH2-CZ 4.5Å
70P44.5Very low50Low65 Ų65125.7 Ų125.742%0.42259%0.593SS.*  trans-72.59417329.2-31.5000108.5N72P70-N72 PolarHBondContact O-N 3.22Å; P70-N72 VanDerWaalsContact O-N 3.09Å
71E53.1Low48.8Very low168 Ų168130.5 Ų130.579%0.78562%0.623SS**THydrogen-bonded Turntrans-62.3-15.2-178-78.5176.5141.600113.8W69W69-E71 PolarHBondContact O-N 2.87Å
72N48.3Very low47.7Very low143 Ų143125.4 Ų125.477%0.76562%0.618SS**THydrogen-bonded Turntrans-104.7-9.8-167.6-74.1-29.4000116.8P70P70-N72 PolarHBondContact O-N 3.22Å; P70-N72 VanDerWaalsContact O-N 3.09Å
73E48.4Very low46.9Very low158 Ų158125.1 Ų125.174%0.73862%0.617SS**THydrogen-bonded Turntrans-114.2-9.9-177.2-69-153.816000115.7
74L47.3Very low46Very low84 Ų84135 Ų13544%0.4465%0.652SS.*  trans-99.326.3178-68.9174.3000113.8W69 W76 V77 R78W69-L74 HydrophobicContact CE3-CD1 4.29Å; W69-L74 HydrophobicContact CZ3-CD1 3.89Å; L74-W76 PolarHBondContact O-N 3.5Å; L74-W76 VanDerWaalsContact O-N 3.08Å; L74-V77 HydrophobicContact CB-CB 4.49Å; L74-V77 HydrophobicContact CD2-CB 4.43Å; L74-V77 HydrophobicContact CD2-CG2 3.8Å; L74-V77 PolarHBondContact O-N 2.95Å; L74-R78 PolarHBondContact O-N 3.05Å
75L46.3Very low45.5Very low114 Ų114135.7 Ų135.760%0.59765%0.653SS**THydrogen-bonded Turntrans-59.2-19.7173.7-73.3172.9000113
76W42.9Very low44.9Very low238 Ų238140.1 Ų140.190%0.90268%0.678SS**THydrogen-bonded Turntrans-80.8-26.1175.4-65.283.4000113.9L74L74-W76 PolarHBondContact O-N 3.5Å; L74-W76 VanDerWaalsContact O-N 3.08Å
77V45.6Very low44.1Very low81 Ų81146.2 Ų146.249%0.49170%0.697SS.*G310 helixtrans-88.3-14.3-179.1-177.50000112L74 K79 L80L74-V77 HydrophobicContact CB-CB 4.49Å; L74-V77 HydrophobicContact CD2-CB 4.43Å; L74-V77 HydrophobicContact CD2-CG2 3.8Å; L74-V77 PolarHBondContact O-N 2.95Å; V77-K79 PolarHBondContact O-N 3.29Å; V77-L80 PolarHBondContact O-N 2.87Å; V77-L80 VanDerWaalsContact O-N 3.14Å
78R42.5Very low43.8Very low185 Ų185147.6 Ų147.670%0.69870%0.701SS**G310 helixtrans-67.8-3.1179.4-159.1169.7179.2156.2-4.4114.7L74L74-R78 PolarHBondContact O-N 3.05Å
79K37.3Very low44Very low196 Ų196147.7 Ų147.785%0.85270%0.701SS**G310 helixtrans-91.36.2171.4-81.5-159.9178.1-172.10114.4V77V77-K79 PolarHBondContact O-N 3.29Å
80L43.9Very low44Very low109 Ų109147.8 Ų147.857%0.57171%0.708SS**SBendtrans-84.6129.1165.5-95.374.8000110.1V77 C82V77-L80 PolarHBondContact O-N 2.87Å; V77-L80 VanDerWaalsContact O-N 3.14Å; L80-C82 PolarHBondContact O-N 2.81Å
81P39.1Very low43.8Very low122 Ų122149.7 Ų149.779%0.79272%0.718SS**THydrogen-bonded Turntrans-67.6-0.5-174.827-33.2000114.4
82C40.1Very low43.3Very low105 Ų105147.9 Ų147.971%0.70972%0.718SS**THydrogen-bonded Turntrans-91-9.8-171.6-51.20000114.6L80 R84L80-C82 PolarHBondContact O-N 2.81Å; C82-R84 PolarHBondContact O-N 2.86Å
83F46.6Very low43.1Very low170 Ų170148.3 Ų148.375%0.74672%0.716SS**  trans-100.256.2178.7-101.4-91.8000111.8W69 K85W69-F83 HydrophobicContact CH2-CZ 4.5Å; F83-K85 PolarHBondContact O-N 3.45Å
84R39Very low42.9Very low230 Ų230147.9 Ų147.987%0.86872%0.718SS**PPolyproline II helixtrans-72121.1157-94.2-164.2172.3-173.80.5107.6C82 P86C82-R84 PolarHBondContact O-N 2.86Å; R84-P86 WeakPolarHBondContact O-CD 3.36Å
85K44.6Very low42.8Very low178 Ų178151.9 Ų151.977%0.77474%0.739SS**PPolyproline II helixtrans-52.7123.4175-65.7-175173.3-1690110F83 K87F83-K85 PolarHBondContact O-N 3.45Å; K85-K87 PolarHBondContact O-N 3.14Å
86P41Very low42.4Very low115 Ų115156.8 Ų156.875%0.74775%0.749SS**PPolyproline II helixtrans-71.1119.7153.326.2-21.5000106.6R84 D88R84-P86 WeakPolarHBondContact O-CD 3.36Å; P86-D88 PolarHBondContact O-N 3.16Å; P86-D88 VanDerWaalsContact O-N 3.1Å
87K38.3Very low42.2Very low186 Ų186150.9 Ų150.981%0.80974%0.74SS**  trans-69.6100.4171.4-144.2175.7-176.7-176.40105K85 K89K85-K87 PolarHBondContact O-N 3.14Å; K87-K89 PolarHBondContact O-N 3.23Å
88D42.5Very low41.9Very low131 Ų131152.8 Ų152.870%0.70175%0.754SS**THydrogen-bonded Turntrans-67.575.5174.1-105.3-29.2000109.8P86P86-D88 PolarHBondContact O-N 3.16Å; P86-D88 VanDerWaalsContact O-N 3.1Å
89K47.5Very low41.7Very low171 Ų171149.3 Ų149.374%0.74376%0.758SS**THydrogen-bonded Turntrans-128.3-6.3170.3-74.7-164173.5-163.80114.3K87K87-K89 PolarHBondContact O-N 3.23Å
90E45.5Very low41.9Very low155 Ų155147.6 Ų147.672%0.72476%0.758SS**SBendtrans-126-8.6-174.1-68.8177.4-172.400115.1
91V40.4Very low41.6Very low104 Ų104149.9 Ų149.963%0.6377%0.77SS**G310 helixtrans-90.6-9.3-179.4-175.90000113.2E93V91-E93 VanDerWaalsContact C-N 3.27Å; V91-E93 PolarHBondContact O-N 3.2Å
92V43Very low41.4Very low130 Ų130152.4 Ų152.479%0.78877%0.771SS**G310 helixtrans-80.9-7.5173-177.70000112.1
93E43.1Very low41.3Very low153 Ų153151.8 Ų151.872%0.71577%0.768SS**G310 helixtrans-93.7-9.5177.8-74.9-170.6149.100114.6V91V91-E93 VanDerWaalsContact C-N 3.27Å; V91-E93 PolarHBondContact O-N 3.2Å
94L45.2Very low41.4Very low149 Ų149147.5 Ų147.578%0.7877%0.771SS**THydrogen-bonded Turntrans-88.93.2-178.6-80166.7000115.3
95L44.5Very low41.4Very low167 Ų167146 Ų14687%0.87477%0.771SS**THydrogen-bonded Turntrans-112.917.3170.7-69.2178.8000113.3
96R37.8Very low41.1Very low217 Ų217141.4 Ų141.482%0.81978%0.775SS**  trans-95.6101.5171.8-156.3177.9-176.997.70.6109.5
97T38.3Very low40.8Very low114 Ų114141.3 Ų141.370%0.69978%0.777SS**  trans-51.5135.7161.3-210000108.4S99T97-S99 PolarHBondContact O-N 3.15Å; T97-S99 VanDerWaalsContact O-N 3.1Å
98P40.2Very low40.8Very low121 Ų121138.2 Ų138.279%0.78678%0.778SS**  trans-69.3115.1-178.428.8-31.7000108.2
99S37.5Very low40.4Very low112 Ų112139.1 Ų139.178%0.78378%0.783SS**  trans-112.880.9163.2-58.40000106.3T97T97-S99 PolarHBondContact O-N 3.15Å; T97-S99 VanDerWaalsContact O-N 3.1Å
100D40.8Very low39.9Very low160 Ų160138.5 Ų138.586%0.85678%0.783SS**  trans-81.9104.5157.8-131.8-17.1000105.8
101L37.9Very low39.5Very low157 Ų157138.1 Ų138.182%0.82279%0.785SS**  trans174.7121.4139.4-93.7165.2000108.9
102E34.6Very low39.2Very low175 Ų175138.2 Ų138.282%0.81880%0.797SS**  trans64.5110.6148-118.4-154.2102.500118.3
103S39.8Very low38.7Very low93 Ų93142.1 Ų142.165%0.6580%0.803SS**  161.2111.594.5-163.80000107.9K105S103-K105 PolarHBondContact O-N 3.44Å
104G46.9Very low38.3Very low79 Ų79144.8 Ų144.881%0.81481%0.812SS**  trans-58.4125.6171.600000109.9
105K40.1Very low37.6Very low199 Ų199142.3 Ų142.387%0.86581%0.813SS**  trans-146.688.2160.3-141.4158.8171.9176.80108.4S103S103-K105 PolarHBondContact O-N 3.44Å
106G37.3Very low36.7Very low82 Ų82137.7 Ų137.785%0.84581%0.806SS**  trans-58140.717100000110.6
107S35.3Very low36.4Very low113 Ų113135.3 Ų135.379%0.7981%0.809SS**  trans-129.485.2165.7-174.80000106.9
108S37.8Very low36Very low120 Ų120141.4 Ų141.484%0.83982%0.819SS**  trans-78.8110.2164.3-171.50000106.6
109D34.8Very low35.4Very low151 Ų151139.4 Ų139.481%0.80782%0.82SS**  trans-107.494.3172.1-162.86.4000107.8
110E37.2Very low35Very low158 Ų158143.9 Ų143.974%0.73883%0.826SS**  trans-140.1108169.8-91.1-10310700108.2
111L37.9Very low34.9Very low147 Ų147141.7 Ų141.777%0.7782%0.82SS**  trans49.398.3141.8-75.1159.2000118.4
112A33Very low34.4Very low105 Ų105142 Ų14287%0.86882%0.822SS**  trans-149.580.3150.400000111.9
113K33.6Very low34.8Very low212 Ų212138.4 Ų138.492%0.92281%0.813SS**  trans-86.1130.4153.1-112.5178.6-176.6176.30107.6
114K33.2Very low34.3Very low209 Ų209143.4 Ų143.491%0.90983%0.826SS**  trans107.3139.6154.2-139.9-173.7-169-161.20116.3
115A31.2Very low33.3Very low97 Ų97143.1 Ų143.180%0.80282%0.823SS**  trans84.194168.400000116.4
116G26.4Very low32.9Very low71 Ų71140.2 Ų140.273%0.73283%0.825SS**  trans-76.1150.9154.400000111
117L31.1Very low32.5Very low166 Ų166139.6 Ų139.687%0.86982%0.819SS**  trans178.7125.7139.1-98.9160.2000110.5
118R29.6Very low32.2Very low243 Ų243144 Ų14492%0.91783%0.827SS**  trans54.8127145.2-97.1-171.2170.5-99.51.3121.5
119G26.6Very low32.1Very low78 Ų78144.8 Ų144.880%0.80483%0.826SS**  trans137.7109.1133.600000117.2
120K30.3Very low32.5Very low207 Ų207143.3 Ų143.390%0.983%0.825SS**  trans-88.2177.3156.4-88.2-179.3174.5-179.40109.3
121P37.8Very low32.2Very low113 Ų113143.7 Ų143.773%0.73483%0.829SS**  cis-141.6162.8-24.934-13.6000117.3
122L27.2Very low31.8Very low165 Ų165141.7 Ų141.786%0.86483%0.833SS**  trans51.6174.8142.6-139.569.3000121.5
123P43.9Very low31.6Very low99 Ų99141.4 Ų141.464%0.64383%0.825SS**  cis-135-176.3-199.119.4000118.9
124Q29.3Very low31.3Very low197 Ų197137.1 Ų137.192%0.92182%0.822SS**  trans85.2136.7152.1-83.1169.7-4.400119.3
125G26.2Very low31.2Very low73 Ų73134.1 Ų134.175%0.75381%0.814SS**  cis-167.1-173.411.500000113.1
126P32.2Very low31Very low138 Ų138135.8 Ų135.890%0.89682%0.815SS**  trans-108.3164.1-157.239.6-31.3000115.6
127G27.8Very low31.1Very low70 Ų70138.4 Ų138.472%0.72282%0.817SS**  trans-177.591.6170.100000116.8
128E29.7Very low31.5Very low206 Ų206136 Ų13696%0.96381%0.811SS**  trans66.1132.3131.8-58.2175.6177.600123.4
129V35.6Very low31.5Very low135 Ų135130.8 Ų130.882%0.81881%0.806SS**  trans-111.6157.1172.5-138.90000108
130P42.3Very low32.4Very low121 Ų121132.4 Ų132.479%0.78680%0.802SS**  -152.313997.133.6-13.6000114.2
131M30.9Very low32.3Very low165 Ų165128 Ų12881%0.81379%0.793SS**  65.2118.382.6-156.7171.9-170.900117.8
132A29Very low32Very low105 Ų105130.6 Ų130.687%0.86880%0.796SS**  trans-155.7128.6146.600000111.3
133S29.1Very low32.1Very low100 Ų100131.8 Ų131.870%0.69980%0.797SS**  trans-97.5159.6-179.9-64.70000112.5
134S27.3Very low31.2Very low121 Ų121130.5 Ų130.585%0.84680%0.802SS**  -169.7141.3129-165.20000112.4
135I30.8Very low31Very low147 Ų147130.9 Ų130.975%0.75480%0.803SS**  trans-118.3158.4179.8-70.8167.1000107.1
136T28.4Very low31Very low132 Ų132132.9 Ų132.981%0.8181%0.805SS**  158.3132.9119-34.50000113.7
137T28.5Very low30.8Very low126 Ų126135.7 Ų135.777%0.77381%0.806SS**  trans-77.6-170.5160.316.10000111.7
138P38.3Very low30.7Very low116 Ų116136.7 Ų136.775%0.75380%0.802SS**  cis-135.7-172.6-330.2-4000116.6
139T29.4Very low30.8Very low133 Ų133134.1 Ų134.182%0.81679%0.794SS**  trans-61.5-174.6173.115.80000117.2
140P45.8Very low30.9Very low111 Ų111133.4 Ų133.472%0.72179%0.789SS**  cis-141.5-173.6-328.9-2.1000118
141T29Very low30.3Very low116 Ų116137.1 Ų137.171%0.71280%0.796SS**  trans118.4117.7136.9-33.20000121.3
142E30.9Very low30.5Very low167 Ų167134.5 Ų134.578%0.7879%0.794SS**  trans60.3155145.7-68.4-173.5156.600128.3
143E28.8Very low30.9Very low190 Ų190133 Ų13389%0.88879%0.789SS**  trans82.4134160-40.9-175.5-171.200117.4
144G26Very low31.2Very low72 Ų72139.1 Ų139.174%0.74280%0.797SS**  cis169.6161.12.800000110
145E25.2Very low31.8Very low204 Ų204142 Ų14295%0.95380%0.797SS**  trans84145.1155.1-60.9-169.9131.400125
146C26.3Very low32.4Very low116 Ų116143 Ų14378%0.78480%0.798SS**  trans-100.8165.1-161.5-54.40000115.5
147Q27.1Very low33Very low196 Ų196143.8 Ų143.892%0.91679%0.792SS**  trans165.3149.3146.1-95.7166.280.700108.9
148S26.5Very low33.7Very low92 Ų92142.4 Ų142.464%0.64378%0.784SS**  cis-177.9162.87178.90000109.1
149L31Very low34Very low152 Ų152140.2 Ų140.280%0.79677%0.771SS**  trans79.791.6144.5-98.5153.1000121.8
150V38.3Very low34.6Very low119 Ų119143.4 Ų143.472%0.72177%0.769SS**  5.6126.3128.3179.50000117.2
151Q29.8Very low34.4Very low200 Ų200148.2 Ų148.294%0.93577%0.774SS**  trans-132.681.3145.3-142.6170.523.500111.1G153Q151-G153 PolarHBondContact O-N 3.47Å
152S36Very low35.2Very low110 Ų110149.6 Ų149.677%0.76978%0.776SS**  trans-59.7112.2159.5162.70000109.1
153G36.1Very low35.8Very low73 Ų73149 Ų14975%0.75378%0.778SS**  trans-173.3-4.2175.100000116.3Q151Q151-G153 PolarHBondContact O-N 3.47Å
154R35Very low36.3Very low229 Ų229142.9 Ų142.986%0.86477%0.766SS**SBendtrans-136.345.3-173.8-156-176.3178.3-172.8-1.6112.2
155Q41.2Very low36.9Very low182 Ų182150.3 Ų150.385%0.8577%0.773SS**  trans-125.924.2-176.6-153-178.515.600113.1
156E42.1Very low37.4Very low166 Ų166146.4 Ų146.478%0.77677%0.767SS**SBendtrans-115.9-17.1179.9-154.7170.4170.600113.9S159E156-S159 PolarHBondContact O-OG 3.26Å
157E42.3Very low37.8Very low149 Ų149147 Ų14770%0.69677%0.769SS**SBendtrans-90.5-21.9-178.4-65.1-177.3155.200113.5
158T43Very low38.7Very low98 Ų98144 Ų14460%0.60177%0.771SS**SBendtrans-88.1-11.9-175.6-29.40000113.5
159S44.7Very low39.2Very low69 Ų69142.9 Ų142.948%0.48377%0.773SS.*G310 helixtrans-74.3-24.5178.954.90000113.2E156 Y161 L162E156-S159 PolarHBondContact O-OG 3.26Å; S159-Y161 VanDerWaalsContact C-N 3.28Å; S159-Y161 PolarHBondContact O-N 3.26Å; S159-L162 PolarHBondContact O-N 2.97Å
160R42.5Very low39.4Very low201 Ų201141.2 Ų141.276%0.75877%0.774SS**G310 helixtrans-74.8-12.2-179.2-72.9-165.4-74.9177.6-5.3114.9
161Y40.6Very low39.4Very low211 Ų211141.2 Ų141.283%0.82778%0.78SS**G310 helixtrans-95.8-10176.9-80.5-84000113.7S159S159-Y161 VanDerWaalsContact C-N 3.28Å; S159-Y161 PolarHBondContact O-N 3.26Å
162L45.9Very low39.8Very low145 Ų145137.3 Ų137.376%0.75976%0.764SS**THydrogen-bonded Turntrans-97-8.9-179.4-77.6165.8000113.9S159 G164S159-L162 PolarHBondContact O-N 2.97Å; L162-G164 PolarHBondContact O-N 2.82Å
163D42.9Very low40Very low155 Ų155136.5 Ų136.583%0.82977%0.765SS**THydrogen-bonded Turntrans-804.9-173.3-146.921.1000114.1
164G40.3Very low40Very low61 Ų61142.1 Ų142.163%0.62976%0.764SS**THydrogen-bonded Turntrans-95.3-12.9-171.100000117.2L162L162-G164 PolarHBondContact O-N 2.82Å
165Y38.3Very low40Very low228 Ų228136.9 Ų136.989%0.89476%0.763SS**SBendtrans-146.971.3-172.5-86-89.2000113.2
166C35.7Very low39.8Very low122 Ų122133 Ų13382%0.82476%0.762SS**  trans-144.8124.9156.5-93.20000110.1
167P35.4Very low40Very low128 Ų128133 Ų13383%0.83177%0.767SS**  trans-71.8132.5166.430.2-28.5000108.8G169P167-G169 PolarHBondContact O-N 3.14Å
168S45.1Very low39.4Very low135 Ų135133.8 Ų133.894%0.94478%0.775SS**SBendtrans-31.9121.6176-168.60000114.4
169G36.5Very low39.2Very low67 Ų67140.4 Ų140.469%0.69179%0.789SS**  trans173.473.6175.600000113.9P167P167-G169 PolarHBondContact O-N 3.14Å
170S36.1Very low39.1Very low118 Ų118141.7 Ų141.783%0.82580%0.804SS**  trans59.689.9160.4-57.10000118L172S170-L172 PolarHBondContact O-N 3.23Å
171S38.3Very low39Very low119 Ų119139.8 Ų139.883%0.83281%0.809SS**  trans-63.8113.1155.3174.80000109.7
172L38.2Very low38.8Very low117 Ų117141 Ų14161%0.61381%0.812SS**  trans-128.289.3160.7-102.3166.5000107.8S170 Y174S170-L172 PolarHBondContact O-N 3.23Å; L172-Y174 HydrophobicContact CB-CD2 3.99Å; L172-Y174 HydrophobicContact CB-CE2 3.66Å; L172-Y174 HydrophobicContact CD1-CE2 3.79Å; L172-Y174 HydrophobicContact CD2-CD2 4.2Å; L172-Y174 HydrophobicContact CD2-CE1 4.25Å; L172-Y174 HydrophobicContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CZ 3.45Å; L172-Y174 WeakPolarHBondContact CD2-OH 3.42Å; L172-Y174 HydrophobicContact CG-CE2 3.79Å; L172-Y174 PolarHBondContact O-N 3.42Å; L172-Y174 VanDerWaalsContact O-N 3.1Å
173A39.7Very low38.5Very low94 Ų94139.4 Ų139.478%0.77781%0.81SS**  trans-69.496.1166.600000108.4
174Y35.9Very low38.3Very low190 Ų190140.4 Ų140.475%0.74581%0.81SS**  trans-92.4111.9165.5-73.5-76.1000109.2L172L172-Y174 HydrophobicContact CB-CD2 3.99Å; L172-Y174 HydrophobicContact CB-CE2 3.66Å; L172-Y174 HydrophobicContact CD1-CE2 3.79Å; L172-Y174 HydrophobicContact CD2-CD2 4.2Å; L172-Y174 HydrophobicContact CD2-CE1 4.25Å; L172-Y174 HydrophobicContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CZ 3.45Å; L172-Y174 WeakPolarHBondContact CD2-OH 3.42Å; L172-Y174 HydrophobicContact CG-CE2 3.79Å; L172-Y174 PolarHBondContact O-N 3.42Å; L172-Y174 VanDerWaalsContact O-N 3.1Å
175S35.1Very low38.4Very low119 Ų119142.6 Ų142.683%0.83281%0.813SS**  trans-62.6129.6169.1-154.60000109L177S175-L177 PolarHBondContact O-N 3.34Å
176A38Very low38.7Very low100 Ų100140.5 Ų140.583%0.82681%0.811SS**SBendtrans-73.190.6179.400000110.4
177L44.9Very low39.1Very low168 Ų168142.2 Ų142.288%0.8881%0.812SS**  trans-168.780.1159.3-107164.9000108.1S175S175-L177 PolarHBondContact O-N 3.34Å
178D29.6Very low39.7Very low165 Ų165139.7 Ų139.788%0.88280%0.798SS**  trans-152.5135.2145.9-144.3-0.5000112
179R40.2Very low39.7Very low237 Ų237140.5 Ų140.589%0.89479%0.79SS**  trans-74.3143.7-177.3-81.4171.9161.2143.7-6.6110
180A41.6Very low40.3Very low96 Ų96144.9 Ų144.979%0.79379%0.79SS**  152137.7108.100000112.7
181D40.2Very low40.8Very low160 Ų160148.7 Ų148.786%0.85679%0.792SS**  trans92.884146.7-136.817.2000118.5
182R36.6Very low41.3Very low238 Ų238146 Ų14690%0.89877%0.771SS**  trans-179.8161.2131.1-104.6-167.2171.3128.3-0.5113.6
183P40.8Very low41.8Very low111 Ų111143.6 Ų143.672%0.72176%0.762SS**  trans-82.4150.8-150.533.8-37.6000115
184E38.2Very low42.5Very low176 Ų176148.6 Ų148.682%0.82277%0.769SS**  trans25.8116.7158.5-71.1-76.69800118.3
185P42.6Very low43.3Very low106 Ų106144.9 Ų144.969%0.68876%0.762SS**  trans-84.2131.416733.1-27.1000110.6D187P185-D187 PolarHBondContact O-N 2.95Å
186E44.6Very low44.1Very low184 Ų184140.3 Ų140.386%0.8673%0.73SS**  trans-59.3131.3157.2-63.4-173.3140.500108.8S188E186-S188 PolarHBondContact O-N 3.09Å; E186-S188 PolarHBondContact O-OG 3.04Å
187D44.4Very low45Very low159 Ų159139.9 Ų139.985%0.8571%0.713SS**SBendtrans-39.7100.5-176.4-73.7-46.7000113.2P185P185-D187 PolarHBondContact O-N 2.95Å
188S47.7Very low45.6Very low74 Ų74136 Ų13652%0.51769%0.692SS.*  trans-138.679.716447.70000108.2E186 F190E186-S188 PolarHBondContact O-N 3.09Å; E186-S188 PolarHBondContact O-OG 3.04Å; S188-F190 VanDerWaalsContact C-N 3.25Å; S188-F190 VanDerWaalsContact CB-CE2 3.48Å; S188-F190 VanDerWaalsContact O-CD2 3.3Å; S188-F190 WeakPolarHBondContact O-CD2 3.35Å; S188-F190 PolarHBondContact O-N 3.04Å
189I45.4Very low46.8Very low152 Ų152131.9 Ų131.978%0.77967%0.673SS**  trans-6888.4172.5-55.6172.6000107.2F191I189-F191 PolarHBondContact O-N 3.43Å
190F48.7Very low47.4Very low160 Ų160122.8 Ų122.870%0.70265%0.645SS**  trans-80.5111.9169.4-72-79.6000108.8S188 V192S188-F190 VanDerWaalsContact C-N 3.25Å; S188-F190 VanDerWaalsContact CB-CE2 3.48Å; S188-F190 VanDerWaalsContact O-CD2 3.3Å; S188-F190 WeakPolarHBondContact O-CD2 3.35Å; S188-F190 PolarHBondContact O-N 3.04Å; F190-V192 PolarHBondContact O-N 3.08Å; F190-V192 VanDerWaalsContact O-N 3.14Å
191F45.6Very low47.8Very low197 Ų197122.1 Ų122.186%0.86464%0.635SS**  trans-73.2102.3172.9-130.3-96.4000108.8I189I189-F191 PolarHBondContact O-N 3.43Å
192V50.3Low48.5Very low64 Ų64122.7 Ų122.739%0.38863%0.626SS.*  trans-89.7121.2175.5179.70000108.4F190 Q194 S196 Y214F190-V192 PolarHBondContact O-N 3.08Å; F190-V192 VanDerWaalsContact O-N 3.14Å; V192-Q194 PolarHBondContact O-N 3.48Å; V192-S196 WeakPolarHBondContact CG1-OG 3.25Å; V192-Y214 HydrophobicContact CG1-CE1 4.46Å; V192-Y214 HydrophobicContact CG2-CE1 4.23Å
193P48.8Very low49Very low65 Ų65118.3 Ų118.342%0.42261%0.614SS.*  trans-61.4134.3173.2-20.432.3000110.5D195 S196P193-D195 PolarHBondContact O-N 3.35Å; P193-S196 PolarHBondContact O-N 3.47Å; P193-S196 VanDerWaalsContact O-N 3.14Å; P193-S196 PolarHBondContact O-OG 3.22Å
194Q53.3Low49.6Very low199 Ų199122.1 Ų122.193%0.9362%0.622SS**THydrogen-bonded Turntrans-58-17.9-173.3-71.8179.40.600114.4V192V192-Q194 PolarHBondContact O-N 3.48Å
195D52.3Low50.3Low113 Ų113121.2 Ų121.260%0.60462%0.623SS**THydrogen-bonded Turntrans-103.720.1-177.5-55.9-39.4000114.2P193P193-D195 PolarHBondContact O-N 3.35Å
196S52.6Low50.5Low22 Ų22118.3 Ų118.315%0.15461%0.605CS.*EExtended strand (participates in β ladder)trans-98.3128.8-177.8620000112.7V192 P193 I215V192-S196 WeakPolarHBondContact CG1-OG 3.25Å; P193-S196 PolarHBondContact O-N 3.47Å; P193-S196 VanDerWaalsContact O-N 3.14Å; P193-S196 PolarHBondContact O-OG 3.22Å; S196-I215 WeakPolarHBondContact CA-O 3.15Å
197I57.6Low50.8Low92 Ų92115.6 Ų115.647%0.47260%0.603SS.*EExtended strand (participates in β ladder)trans-90.9125.6169.8-60.4176.4000107.3V199 I215I197-V199 HydrophobicContact CG2-CG2 4.18Å; I197-I215 PolarHBondContact N-O 3.2Å; I197-I215 PolarHBondContact O-N 2.65Å; I197-I215 VanDerWaalsContact O-N 3.16Å
198I57.5Low51.3Low85 Ų85116.6 Ų116.644%0.43660%0.596SS.*EExtended strand (participates in β ladder)trans-92.2117.1175.8-51.6177.1000107.9C212 Y214I198-C212 HydrophobicContact CG2-CB 4.3Å; I198-Y214 HydrophobicContact CD1-CD1 4.46Å; I198-Y214 HydrophobicContact CD1-CE1 3.88Å; I198-Y214 HydrophobicContact CG1-CD1 3.98Å; I198-Y214 HydrophobicContact CG1-CE1 3.88Å
199V54.3Low51.5Low79 Ų79115 Ų11548%0.47958%0.582SS.*EExtended strand (participates in β ladder)trans-107.2115.1172.5-175.90000108.2I197 C213 I215I197-V199 HydrophobicContact CG2-CG2 4.18Å; V199-C213 PolarHBondContact N-O 3.19Å; V199-C213 PolarHBondContact O-N 2.95Å; V199-C213 VanDerWaalsContact O-N 3.15Å; V199-I215 HydrophobicContact CG2-CD1 4.21Å
200C53.3Low51.7Low47 Ų47117.8 Ų117.832%0.31858%0.583SS.*EExtended strand (participates in β ladder)trans-107.1123.4177.2-59.40000109.3Y202 C212C200-Y202 HydrophobicContact CB-CD2 4.24Å; C200-Y202 HydrophobicContact CB-CE2 3.62Å; C200-C212 PolarHBondContact SG-SG 3.19Å
201S49.5Very low51.9Low81 Ų81117.3 Ų117.357%0.56658%0.577SS**EExtended strand (participates in β ladder)trans-94.7121.1167.7-175.40000109.3
202Y54.2Low52.5Low172 Ų172110.7 Ų110.768%0.67556%0.555SS**  trans-104103.4176.3-69-81.9000109.5C200C200-Y202 HydrophobicContact CB-CD2 4.24Å; C200-Y202 HydrophobicContact CB-CE2 3.62Å
203K48.1Very low52.7Low147 Ų147111.4 Ų111.464%0.63956%0.562SS**  trans-100.2111.8164.2-135.1-171.6175.2-175.90108.4N205 D209K203-N205 PolarHBondContact O-N 3.48Å; K203-D209 HydrophobicContact CB-CB 4.42Å; K203-D209 WeakPolarHBondContact CB-OD2 3.45Å
204Q53.5Low53.1Low191 Ų191114.4 Ų114.489%0.89357%0.566SS**THydrogen-bonded Turntrans-67.7-5.9-174.3-80.4168.5-10.400115
205N51.8Low53.4Low157 Ų157109.5 Ų109.584%0.8455%0.545SS*.THydrogen-bonded Turntrans-126.624.3-170-73.810.6000115.4K203K203-N205 PolarHBondContact O-N 3.48Å
206S48Very low53.1Low45 Ų45107.5 Ų107.532%0.31553%0.534SS..  trans-119.7134.7174.6172.60000111.1Y208 D209S206-Y208 PolarHBondContact O-N 3.31Å; S206-Y208 PolarHBondContact OG-N 3.49Å; S206-Y208 PolarHBondContact OG-O 3.42Å; S206-D209 WeakPolarHBondContact CB-OD2 3.36Å
207P50.4Low53.1Low127 Ų127112.5 Ų112.583%0.82556%0.555SS**SBendtrans-70.4-6.2173.829.6-33.5000113.1
208Y55.2Low52.8Low179 Ų179112.8 Ų112.870%0.70257%0.565SS**SBendtrans-122.587.9167.5-59.8-86.4000107.7S206S206-Y208 PolarHBondContact O-N 3.31Å; S206-Y208 PolarHBondContact OG-N 3.49Å; S206-Y208 PolarHBondContact OG-O 3.42Å
209D50.6Low52.4Low42 Ų42117.2 Ų117.223%0.22558%0.584CS.*  trans-157.988.2173.2-112.2-34.4000113.3K203 S206K203-D209 HydrophobicContact CB-CB 4.42Å; K203-D209 WeakPolarHBondContact CB-OD2 3.45Å; S206-D209 WeakPolarHBondContact CB-OD2 3.36Å
210R50.8Low52.2Low210 Ų210116.2 Ų116.279%0.79259%0.59SS**  trans-14898.1138.3-59.6-172.5-152.3166.89.7107.4
211Y53.4Low51.8Low149 Ų149123.8 Ų123.858%0.58461%0.612SS**EExtended strand (participates in β ladder)trans-99.5110.2167.8-62.3-82000107.5
212C56.7Low52Low59 Ų59130.5 Ų130.540%0.39963%0.625SS.*EExtended strand (participates in β ladder)trans-100.2111.6170.2-56.90000107.2I198 C200I198-C212 HydrophobicContact CG2-CB 4.3Å; C200-C212 PolarHBondContact SG-SG 3.19Å
213C54.1Low51.5Low78 Ų78127 Ų12753%0.52762%0.618SS.*EExtended strand (participates in β ladder)trans-94.5125.9173.8-66.30000108.9V199V199-C213 PolarHBondContact N-O 3.19Å; V199-C213 PolarHBondContact O-N 2.95Å; V199-C213 VanDerWaalsContact O-N 3.15Å
214Y57.2Low51.4Low129 Ų129128.5 Ų128.551%0.50663%0.627SS.*EExtended strand (participates in β ladder)trans-90.1112.3172.5-63.8-87.4000108.6V192 I198V192-Y214 HydrophobicContact CG1-CE1 4.46Å; V192-Y214 HydrophobicContact CG2-CE1 4.23Å; I198-Y214 HydrophobicContact CD1-CD1 4.46Å; I198-Y214 HydrophobicContact CD1-CE1 3.88Å; I198-Y214 HydrophobicContact CG1-CD1 3.98Å; I198-Y214 HydrophobicContact CG1-CE1 3.88Å
215I60.7Low51.2Low95 Ų95127.3 Ų127.349%0.48762%0.621SS.*EExtended strand (participates in β ladder)trans-95.7112.7174.7-57.6176.3000107.6S196 I197 V199S196-I215 WeakPolarHBondContact CA-O 3.15Å; I197-I215 PolarHBondContact N-O 3.2Å; I197-I215 PolarHBondContact O-N 2.65Å; I197-I215 VanDerWaalsContact O-N 3.16Å; V199-I215 HydrophobicContact CG2-CD1 4.21Å
216N45.9Very low50.5Low72 Ų72126.7 Ų126.739%0.38562%0.623SS.*EExtended strand (participates in β ladder)trans-86.8113.8174.1-167.5-25.4000109.2S218 Q219N216-S218 VanDerWaalsContact CG-OG 3.27Å; N216-S218 PolarHBondContact O-N 2.93Å; N216-S218 WeakPolarHBondContact OD1-CB 3.4Å; N216-S218 PolarHBondContact OD1-N 3.09Å; N216-S218 PolarHBondContact OD1-OG 3.1Å; N216-Q219 PolarHBondContact O-N 2.78Å
217Q53.2Low50Low126 Ų126131.4 Ų131.459%0.58964%0.643SS**G310 helixtrans-66.9-16.3-177.3-70.2-172.115.500113.7Q219 G220Q217-Q219 PolarHBondContact O-N 3.1Å; Q217-G220 PolarHBondContact O-N 3.14Å
218S51.3Low49.4Very low99 Ų99135.3 Ų135.369%0.69267%0.665SS**G310 helixtrans-70.6-9.9-178.864.50000114.6N216N216-S218 VanDerWaalsContact CG-OG 3.27Å; N216-S218 PolarHBondContact O-N 2.93Å; N216-S218 WeakPolarHBondContact OD1-CB 3.4Å; N216-S218 PolarHBondContact OD1-N 3.09Å; N216-S218 PolarHBondContact OD1-OG 3.1Å
219Q48.9Very low49.1Very low177 Ų177133.2 Ų133.283%0.82766%0.663SS**G310 helixtrans-108.217.7-177.9-140.6172.355.400113.7N216 Q217 R221N216-Q219 PolarHBondContact O-N 2.78Å; Q217-Q219 PolarHBondContact O-N 3.1Å; Q219-R221 PolarHBondContact O-N 3.36Å
220G49.9Very low49Very low58 Ų58137.9 Ų137.960%0.59869%0.686SS**  trans-8947.4176.700000114.6Q217Q217-G220 PolarHBondContact O-N 3.14Å
221R43.7Very low48.9Very low206 Ų206133.9 Ų133.978%0.77768%0.68SS**  trans-10881.5165.4-134-179.686.4-145.62.8108.9Q219 D223Q219-R221 PolarHBondContact O-N 3.36Å; R221-D223 IonicContact CZ-OD2 3.13Å; R221-D223 IonicContact NE-OD1 3.81Å; R221-D223 IonicContact NE-OD2 2.72Å; R221-D223 PolarHBondContact NE-OD2 2.7Å; R221-D223 IonicContact NH2-OD2 2.7Å; R221-D223 PolarHBondContact NH2-OD2 2.72Å; R221-D223 PolarHBondContact O-N 3.44Å
222W54.3Low48.7Very low222 Ų222133.1 Ų133.184%0.84169%0.686SS**  trans-74.170171.5-65.494.9000109.6H224W222-H224 VanDerWaalsContact C-N 3.28Å; W222-H224 PolarHBondContact O-N 3.29Å; W222-H224 VanDerWaalsContact O-N 3.09Å
223D44.7Very low48.2Very low100 Ų100137.7 Ų137.754%0.53570%0.703SS.*  trans-82.580.9169.5-70.3-7.8000108.6R221R221-D223 IonicContact CZ-OD2 3.13Å; R221-D223 IonicContact NE-OD1 3.81Å; R221-D223 IonicContact NE-OD2 2.72Å; R221-D223 PolarHBondContact NE-OD2 2.7Å; R221-D223 IonicContact NH2-OD2 2.7Å; R221-D223 PolarHBondContact NH2-OD2 2.72Å; R221-D223 PolarHBondContact O-N 3.44Å
224H45.6Very low47.8Very low177 Ų177141.7 Ų141.782%0.81972%0.715SS**  trans-115.882.3160.4-75.5-23.7000108.9W222W222-H224 VanDerWaalsContact C-N 3.28Å; W222-H224 PolarHBondContact O-N 3.29Å; W222-H224 VanDerWaalsContact O-N 3.09Å
225E48.3Very low47.1Very low166 Ų166142.6 Ų142.678%0.77673%0.73SS**  trans-129108156-170.4173.3-164.100108.5
226T37.1Very low46.1Very low145 Ų145146.2 Ų146.289%0.8975%0.749SS**  trans-144.591147.8-35.30000107.5
227I38.7Very low46.1Very low143 Ų143152.4 Ų152.473%0.73378%0.779SS**  trans-85.8128153.9-63171000105.8
228V37.3Very low45.4Very low210 Ų210154.8 Ų154.8100%1.27380%0.796SS**  trans175.80135161.80000107.4

Retrieved 228 of 228 residues in 32.2 ms (Link to these results)