A0A5K4EPD4_SCHMA Loading...

NAD(P)H-hydrate epimerase

Catalyzes the epimerization of the S- and R-forms of NAD(P)HX, a damaged form of NAD(P)H that is a result of enzymatic or heat-dependent hydration. This is a prerequisite for the S-specific NAD(P)H-hydrate dehydratase to allow the repair of both epimers of NAD(P)HX.

AlphaFold DB , UniProt , Accession A0A5K4EPD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M46.4Very low87.1Confident239 Ų23974.8 Ų74.8100%1.17743%0.428SS*.  0125.60-80.2177.3-93.500107.5V3M1-V3 PolarHBondContact O-N 3.38Å
2A67.8Low87.9Confident103 Ų10375.1 Ų75.185%0.85142%0.423SS*.PPolyproline II helixtrans-63.1133.5171.800000108.2S4A2-S4 PolarHBondContact O-N 3.41Å
3V79.1Confident88.5Confident82 Ų8278.4 Ų78.450%0.49743%0.432SS..PPolyproline II helixtrans-67.2121.9177.3178.40000108.1M1 P193 L207M1-V3 PolarHBondContact O-N 3.38Å; V3-P193 VanDerWaalsContact CG1-CD 3.42Å; V3-P193 HydrophobicContact CG1-CG 3.46Å; V3-P193 VanDerWaalsContact CG1-CG 3.46Å; V3-L207 HydrophobicContact CG1-CD2 4.16Å
4S89.5Confident89Confident78 Ų7876 Ų7655%0.54542%0.421SS..PPolyproline II helixtrans-71.5141.7173.449.90000110.1A2 P193A2-S4 PolarHBondContact O-N 3.41Å; S4-P193 WeakPolarHBondContact O-CD 3.43Å; S4-P193 WeakPolarHBondContact O-CG 3.38Å
5Y96Very high89.3Confident70 Ų7073.1 Ų73.128%0.27541%0.405SS..PPolyproline II helixtrans-103.8121.6172.6-76.1-112.4000107.8P193 K194 A197 R198Y5-P193 CarbonylContact C-O 3.51Å; Y5-P193 VanDerWaalsContact CA-O 3.27Å; Y5-P193 WeakPolarHBondContact CA-O 3.27Å; Y5-P193 HydrophobicContact CD1-CB 3.88Å; Y5-P193 HydrophobicContact CD1-CG 4.09Å; Y5-P193 HydrophobicContact CD2-CG 4.18Å; Y5-P193 HydrophobicContact CE1-CB 3.87Å; Y5-P193 HydrophobicContact CE1-CG 4.16Å; Y5-P193 HydrophobicContact CE2-CG 4.24Å; Y5-P193 HydrophobicContact CG-CB 4.37Å; Y5-P193 HydrophobicContact CG-CG 4.1Å; Y5-K194 WeakPolarHBondContact CD1-O 3.48Å; Y5-A197 HydrophobicContact CD1-CB 4.22Å; Y5-A197 HydrophobicContact CE1-CB 3.79Å; Y5-R198 HydrophobicContact CD1-CG 3.6Å; Y5-R198 HydrophobicContact CE1-CG 3.6Å; Y5-R198 HydrophobicContact CG-CG 4.18Å
6L96.7Very high89.7Confident21 Ų2174.8 Ų74.811%0.1141%0.413CS..BIsolated β-bridgetrans-86.8137-174.1-54.8-173.1000111.5E10 A11 V14 A192 P193 K194 L195L6-E10 HydrophobicContact CB-CB 4.09Å; L6-E10 HydrophobicContact CD2-CB 4.25Å; L6-A11 HydrophobicContact CB-CB 4.31Å; L6-A11 HydrophobicContact CD1-CB 4.4Å; L6-V14 HydrophobicContact CD1-CG2 4.16Å; L6-A192 HydrophobicContact CD1-CB 3.7Å; L6-A192 HydrophobicContact CG-CB 3.82Å; L6-P193 PolarHBondContact N-O 3.37Å; L6-K194 CarbonylContact O-C 3.51Å; L6-K194 WeakPolarHBondContact O-CA 3.33Å; L6-L195 PolarHBondContact O-N 2.9Å
7S96.8Very high90.1Very high19 Ų1975.5 Ų75.513%0.13341%0.412CS..PPolyproline II helixtrans-62.5167.1159.762.80000111.1V9 E10 A11 E172S7-V9 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.26Å; S7-E10 PolarHBondContact N-OE2 3.4Å; S7-E10 PolarHBondContact O-N 3.25Å; S7-E10 WeakPolarHBondContact OG-CB 3.35Å; S7-E10 VanDerWaalsContact OG-CD 3.27Å; S7-E10 WeakPolarHBondContact OG-CG 3.5Å; S7-E10 PolarHBondContact OG-N 2.82Å; S7-E10 VanDerWaalsContact OG-N 3.13Å; S7-E10 PolarHBondContact OG-OE2 3.21Å; S7-A11 WeakPolarHBondContact O-CB 3.39Å; S7-A11 PolarHBondContact O-N 2.63Å; S7-E172 WeakPolarHBondContact CB-OE1 3.37Å
8Q96.7Very high90.4Very high36 Ų3672.1 Ų72.117%0.16839%0.394CS..Hα-helixtrans-62.2-35.9176.4-173.4173.741.800111Q12 F136 F138 V171 E172Q8-Q12 VanDerWaalsContact O-CG 3.27Å; Q8-Q12 WeakPolarHBondContact O-CG 3.4Å; Q8-Q12 PolarHBondContact O-N 3.5Å; Q8-Q12 VanDerWaalsContact O-N 3.11Å; Q8-F136 WeakPolarHBondContact CG-O 3.43Å; Q8-F136 PolarHBondContact NE2-O 2.92Å; Q8-F138 PolarHBondContact NE2-O 3.3Å; Q8-V171 HydrophobicContact CB-CB 4.18Å; Q8-V171 HydrophobicContact CB-CG1 3.91Å; Q8-V171 HydrophobicContact CG-CB 4.42Å; Q8-V171 HydrophobicContact CG-CG1 4.24Å; Q8-E172 HydrophobicContact CB-CG 4.41Å; Q8-E172 WeakPolarHBondContact CB-OE1 3.49Å; Q8-E172 PolarHBondContact N-OE1 2.9Å
9V96.7Very high90.6Very high82 Ų8271.8 Ų71.850%0.49739%0.388SS..Hα-helixtrans-69.3-47.1178.6176.30000111.2S7 A11 Q12 Q13S7-V9 PolarHBondContact O-N 3.27Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 2.72Å; V9-Q12 PolarHBondContact O-N 3.15Å; V9-Q13 WeakPolarHBondContact O-CG 3.42Å; V9-Q13 PolarHBondContact O-N 3.16Å
10E96.7Very high90.8Very high88 Ų8871.9 Ų71.941%0.41139%0.391SS..Hα-helixtrans-61.9-41.5177.2-71.9162.413900111.3L6 S7 Q12 Q13 V14L6-E10 HydrophobicContact CB-CB 4.09Å; L6-E10 HydrophobicContact CD2-CB 4.25Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.26Å; S7-E10 PolarHBondContact N-OE2 3.4Å; S7-E10 PolarHBondContact O-N 3.25Å; S7-E10 WeakPolarHBondContact OG-CB 3.35Å; S7-E10 VanDerWaalsContact OG-CD 3.27Å; S7-E10 WeakPolarHBondContact OG-CG 3.5Å; S7-E10 PolarHBondContact OG-N 2.82Å; S7-E10 VanDerWaalsContact OG-N 3.13Å; S7-E10 PolarHBondContact OG-OE2 3.21Å; E10-Q12 VanDerWaalsContact C-N 3.33Å; E10-Q12 PolarHBondContact O-N 2.7Å; E10-Q13 PolarHBondContact O-N 3.09Å; E10-V14 WeakPolarHBondContact O-CG2 3.28Å; E10-V14 PolarHBondContact O-N 2.89Å
11A96Very high91.1Very high5 Ų575.6 Ų75.64%0.04141%0.406CS..Hα-helixtrans-61.3-40175.600000112.4L6 S7 V9 D15 F136 K194L6-A11 HydrophobicContact CB-CB 4.31Å; L6-A11 HydrophobicContact CD1-CB 4.4Å; S7-A11 WeakPolarHBondContact O-CB 3.39Å; S7-A11 PolarHBondContact O-N 2.63Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 2.72Å; A11-D15 PolarHBondContact O-N 2.96Å; A11-F136 HydrophobicContact CB-CD2 3.55Å; A11-F136 HydrophobicContact CB-CE2 3.86Å; A11-F136 HydrophobicContact CB-CG 4.08Å; A11-K194 HydrophobicContact CB-CD 3.93Å; A11-K194 HydrophobicContact CB-CG 4.39Å
12Q96Very high93.5Very high78 Ų7871.2 Ų71.236%0.36438%0.377SS..Hα-helixtrans-66.1-37.7174.6-73169.516.600112.5Q8 V9 E10 N16 F136Q8-Q12 VanDerWaalsContact O-CG 3.27Å; Q8-Q12 WeakPolarHBondContact O-CG 3.4Å; Q8-Q12 PolarHBondContact O-N 3.5Å; Q8-Q12 VanDerWaalsContact O-N 3.11Å; V9-Q12 PolarHBondContact O-N 3.15Å; E10-Q12 VanDerWaalsContact C-N 3.33Å; E10-Q12 PolarHBondContact O-N 2.7Å; Q12-N16 VanDerWaalsContact O-CB 3.32Å; Q12-N16 WeakPolarHBondContact O-CB 3.31Å; Q12-N16 PolarHBondContact O-N 3.26Å; Q12-F136 HydrophobicContact CB-CE2 4.42Å; Q12-F136 HydrophobicContact CG-CD2 4.33Å; Q12-F136 HydrophobicContact CG-CE2 3.69Å
13Q96.2Very high94.8Very high118 Ų11869.9 Ų69.955%0.55137%0.367SS*.Hα-helixtrans-65.4-45.2177.3-73.5171.2-16.400111.3V9 E10 N16 E17V9-Q13 WeakPolarHBondContact O-CG 3.42Å; V9-Q13 PolarHBondContact O-N 3.16Å; E10-Q13 PolarHBondContact O-N 3.09Å; Q13-N16 PolarHBondContact O-N 3Å; Q13-E17 WeakPolarHBondContact O-CB 3.43Å; Q13-E17 PolarHBondContact O-N 3.29Å
14V94.8Very high95.7Very high45 Ų4569.3 Ų69.327%0.27336%0.357SS..Hα-helixtrans-59.2-50.1175.2172.50000110.7L6 E10 N16 E17 L18 T191L6-V14 HydrophobicContact CD1-CG2 4.16Å; E10-V14 WeakPolarHBondContact O-CG2 3.28Å; E10-V14 PolarHBondContact O-N 2.89Å; V14-N16 VanDerWaalsContact C-N 3.31Å; V14-N16 PolarHBondContact O-N 2.96Å; V14-E17 PolarHBondContact O-N 3.15Å; V14-L18 HydrophobicContact CG1-CD1 4.1Å; V14-L18 HydrophobicContact CG1-CG 4.46Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 3.03Å; V14-T191 HydrophobicContact CG1-CG2 3.88Å
15D93.8Very high96Very high33 Ų3367.7 Ų67.718%0.17635%0.346CS..Hα-helixtrans-58.7-43177.1-97.729.8000111.8A11 L18 F19 F136A11-D15 PolarHBondContact O-N 2.96Å; D15-L18 PolarHBondContact O-N 3.22Å; D15-F19 HydrophobicContact CB-CD2 4.48Å; D15-F19 HydrophobicContact CB-CE2 4.06Å; D15-F19 WeakPolarHBondContact O-CD2 3.25Å; D15-F19 WeakPolarHBondContact O-CG 3.37Å; D15-F19 PolarHBondContact O-N 3.43Å; D15-F19 VanDerWaalsContact O-N 3.09Å; D15-F136 HydrophobicContact CB-CZ 4.16Å; D15-F136 WeakPolarHBondContact OD2-CE1 3.37Å; D15-F136 WeakPolarHBondContact OD2-CZ 3.25Å
16N95.9Very high96Very high100 Ų10066.9 Ų66.954%0.53535%0.348SS..Hα-helixtrans-61.2-47.9177.7-177.581.5000111.5Q12 Q13 V14 L18 F19 T20Q12-N16 VanDerWaalsContact O-CB 3.32Å; Q12-N16 WeakPolarHBondContact O-CB 3.31Å; Q12-N16 PolarHBondContact O-N 3.26Å; Q13-N16 PolarHBondContact O-N 3Å; V14-N16 VanDerWaalsContact C-N 3.31Å; V14-N16 PolarHBondContact O-N 2.96Å; N16-L18 VanDerWaalsContact C-N 3.31Å; N16-L18 PolarHBondContact O-N 3.1Å; N16-F19 PolarHBondContact O-N 3.36Å; N16-T20 WeakPolarHBondContact O-CB 3.42Å; N16-T20 WeakPolarHBondContact O-CG2 3.46Å; N16-T20 PolarHBondContact O-N 3.42Å; N16-T20 PolarHBondContact O-OG1 3.21Å
17E96.4Very high96Very high87 Ų8770 Ų7041%0.40737%0.365SS..Hα-helixtrans-59.4-41.2177.9-167.2-179.7177.400111.8Q13 V14 F19 T20 E21 Y22Q13-E17 WeakPolarHBondContact O-CB 3.43Å; Q13-E17 PolarHBondContact O-N 3.29Å; V14-E17 PolarHBondContact O-N 3.15Å; E17-F19 PolarHBondContact O-N 2.98Å; E17-T20 PolarHBondContact O-N 2.88Å; E17-E21 HydrophobicContact CG-CB 3.98Å; E17-E21 HydrophobicContact CG-CG 3.96Å; E17-E21 PolarHBondContact O-N 3.2Å; E17-Y22 HydrophobicContact CG-CD2 3.96Å; E17-Y22 HydrophobicContact CG-CE2 3.8Å; E17-Y22 PolarHBondContact O-N 3.11Å; E17-Y22 VanDerWaalsContact O-N 3.08Å; E17-Y22 WeakPolarHBondContact OE1-CE2 3.5Å
18L95.4Very high95.9Very high14 Ų1473.8 Ų73.87%0.07338%0.381CS..Hα-helixtrans-62-41176.7-69.8175.4000112.9V14 D15 N16 Y22 A23 F24 L29 L211V14-L18 HydrophobicContact CG1-CD1 4.1Å; V14-L18 HydrophobicContact CG1-CG 4.46Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 3.03Å; D15-L18 PolarHBondContact O-N 3.22Å; N16-L18 VanDerWaalsContact C-N 3.31Å; N16-L18 PolarHBondContact O-N 3.1Å; L18-Y22 HydrophobicContact CD2-CD2 4.4Å; L18-A23 PolarHBondContact O-N 3.45Å; L18-F24 HydrophobicContact CD2-CD2 4.11Å; L18-F24 HydrophobicContact CD2-CE2 4.36Å; L18-F24 PolarHBondContact O-N 2.95Å; L18-L29 HydrophobicContact CB-CD1 3.96Å; L18-L29 HydrophobicContact CD1-CD1 4.01Å; L18-L211 HydrophobicContact CD1-CD1 3.71Å; L18-L211 HydrophobicContact CD2-CD1 3.21Å; L18-L211 HydrophobicContact CG-CD1 4.11Å
19F94.1Very high95.9Very high66 Ų6673.4 Ų73.429%0.28938%0.38SS..Hα-helixtrans-80-25.7179.6-61.4-46.1000113.6D15 N16 E17 F24 V26 L29D15-F19 HydrophobicContact CB-CD2 4.48Å; D15-F19 HydrophobicContact CB-CE2 4.06Å; D15-F19 WeakPolarHBondContact O-CD2 3.25Å; D15-F19 WeakPolarHBondContact O-CG 3.37Å; D15-F19 PolarHBondContact O-N 3.43Å; D15-F19 VanDerWaalsContact O-N 3.09Å; N16-F19 PolarHBondContact O-N 3.36Å; E17-F19 PolarHBondContact O-N 2.98Å; F19-F24 WeakPolarHBondContact CD1-O 3.14Å; F19-V26 HydrophobicContact CD1-CG2 4.13Å; F19-V26 HydrophobicContact CE1-CB 4.29Å; F19-V26 HydrophobicContact CE1-CG2 3.76Å; F19-V26 HydrophobicContact CZ-CG2 4.04Å; F19-L29 HydrophobicContact CD1-CD1 4.21Å; F19-L29 HydrophobicContact CE1-CD1 3.58Å; F19-L29 HydrophobicContact CE1-CG 4.32Å; F19-L29 HydrophobicContact CZ-CD1 4.13Å
20T95.6Very high96Very high73 Ų7369.8 Ų69.845%0.44836%0.357SS..Hα-helixtrans-102-66-177.863.80000112.8N16 E17N16-T20 WeakPolarHBondContact O-CB 3.42Å; N16-T20 WeakPolarHBondContact O-CG2 3.46Å; N16-T20 PolarHBondContact O-N 3.42Å; N16-T20 PolarHBondContact O-OG1 3.21Å; E17-T20 PolarHBondContact O-N 2.88Å
21E96.6Very high96Very high151 Ų15168.3 Ų68.371%0.70635%0.351SS*.THydrogen-bonded Turntrans-73.7-40.5-171.9-59-56.7145.300111.6E17E17-E21 HydrophobicContact CG-CB 3.98Å; E17-E21 HydrophobicContact CG-CG 3.96Å; E17-E21 PolarHBondContact O-N 3.2Å
22Y96.3Very high96.1Very high146 Ų14672.3 Ų72.357%0.57337%0.371SS*.SBendtrans-89.8-7.7177.8-68.3-92.3000113.4E17 L18 F24E17-Y22 HydrophobicContact CG-CD2 3.96Å; E17-Y22 HydrophobicContact CG-CE2 3.8Å; E17-Y22 PolarHBondContact O-N 3.11Å; E17-Y22 VanDerWaalsContact O-N 3.08Å; E17-Y22 WeakPolarHBondContact OE1-CE2 3.5Å; L18-Y22 HydrophobicContact CD2-CD2 4.4Å; Y22-F24 PolarHBondContact O-N 3.12Å
23A96.6Very high96.2Very high76 Ų7668.9 Ų68.963%0.62836%0.356SS*.  trans52.627.617600000115L18L18-A23 PolarHBondContact O-N 3.45Å
24F96.7Very high96.3Very high69 Ų6963.3 Ų63.330%0.30333%0.33SS..  trans-66.7142.4168.6-74.4-71.6000109.5L18 F19 Y22 L29L18-F24 HydrophobicContact CD2-CD2 4.11Å; L18-F24 HydrophobicContact CD2-CE2 4.36Å; L18-F24 PolarHBondContact O-N 2.95Å; F19-F24 WeakPolarHBondContact CD1-O 3.14Å; Y22-F24 PolarHBondContact O-N 3.12Å; F24-L29 HydrophobicContact CB-CD1 3.99Å; F24-L29 HydrophobicContact CB-CD2 3.87Å; F24-L29 HydrophobicContact CB-CG 3.85Å; F24-L29 HydrophobicContact CD1-CD2 4.03Å; F24-L29 HydrophobicContact CD2-CD2 4.29Å; F24-L29 HydrophobicContact CG-CD2 3.81Å; F24-L29 HydrophobicContact CG-CG 4.36Å
25S96Very high96.5Very high45 Ų4564 Ų6432%0.31533%0.332SS..  trans-88.1153.9172.960.80000111.5D27 Q28 L29S25-D27 VanDerWaalsContact C-N 3.27Å; S25-D27 WeakPolarHBondContact CB-OD1 3.31Å; S25-D27 PolarHBondContact O-N 3.19Å; S25-D27 PolarHBondContact OG-OD1 2.91Å; S25-Q28 VanDerWaalsContact N-OE1 3.11Å; S25-Q28 WeakPolarHBondContact O-CB 3.36Å; S25-Q28 PolarHBondContact O-N 2.56Å; S25-Q28 WeakPolarHBondContact OG-CG 3.36Å; S25-Q28 PolarHBondContact OG-OE1 2.81Å; S25-L29 PolarHBondContact O-N 2.85Å
26V95.5Very high96.7Very high52 Ų5264 Ų6432%0.31534%0.335SS..Hα-helixtrans-58.5-40-178.8179.70000111.7F19 M30 L96F19-V26 HydrophobicContact CD1-CG2 4.13Å; F19-V26 HydrophobicContact CE1-CB 4.29Å; F19-V26 HydrophobicContact CE1-CG2 3.76Å; F19-V26 HydrophobicContact CZ-CG2 4.04Å; V26-M30 HydrophobicContact CG1-CE 4.28Å; V26-M30 WeakPolarHBondContact O-CB 3.47Å; V26-M30 PolarHBondContact O-N 3.39Å; V26-L96 HydrophobicContact CB-CD2 4.24Å; V26-L96 HydrophobicContact CG1-CD2 3.65Å
27D96.5Very high96.8Very high87 Ų8759.2 Ų59.247%0.46531%0.309SS..Hα-helixtrans-65.7-37.2178.259.1-19.1000112.9S25 E31 L96S25-D27 VanDerWaalsContact C-N 3.27Å; S25-D27 WeakPolarHBondContact CB-OD1 3.31Å; S25-D27 PolarHBondContact O-N 3.19Å; S25-D27 PolarHBondContact OG-OD1 2.91Å; D27-E31 WeakPolarHBondContact O-CB 3.26Å; D27-E31 PolarHBondContact O-N 2.7Å; D27-L96 HydrophobicContact CB-CD1 3.69Å
28Q96.8Very high96.9Very high99 Ų9955.1 Ų55.146%0.46329%0.29SS..Hα-helixtrans-63-51.9175.3-74.6171.5-20.700111.7S25 M30 E31 L32S25-Q28 VanDerWaalsContact N-OE1 3.11Å; S25-Q28 WeakPolarHBondContact O-CB 3.36Å; S25-Q28 PolarHBondContact O-N 2.56Å; S25-Q28 WeakPolarHBondContact OG-CG 3.36Å; S25-Q28 PolarHBondContact OG-OE1 2.81Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-M30 PolarHBondContact O-N 2.9Å; Q28-E31 PolarHBondContact O-N 3.11Å; Q28-L32 WeakPolarHBondContact O-CG 3.36Å; Q28-L32 PolarHBondContact O-N 3.13Å
29L96.4Very high97Very high27 Ų2758 Ų5814%0.14131%0.308CS..Hα-helixtrans-66.6-38.3-178.9-61.6-171.4000111.6L18 F19 F24 S25 L32 A33L18-L29 HydrophobicContact CB-CD1 3.96Å; L18-L29 HydrophobicContact CD1-CD1 4.01Å; F19-L29 HydrophobicContact CD1-CD1 4.21Å; F19-L29 HydrophobicContact CE1-CD1 3.58Å; F19-L29 HydrophobicContact CE1-CG 4.32Å; F19-L29 HydrophobicContact CZ-CD1 4.13Å; F24-L29 HydrophobicContact CB-CD1 3.99Å; F24-L29 HydrophobicContact CB-CD2 3.87Å; F24-L29 HydrophobicContact CB-CG 3.85Å; F24-L29 HydrophobicContact CD1-CD2 4.03Å; F24-L29 HydrophobicContact CD2-CD2 4.29Å; F24-L29 HydrophobicContact CG-CD2 3.81Å; F24-L29 HydrophobicContact CG-CG 4.36Å; S25-L29 PolarHBondContact O-N 2.85Å; L29-L32 PolarHBondContact O-N 3.09Å; L29-A33 VanDerWaalsContact O-CB 3.27Å; L29-A33 WeakPolarHBondContact O-CB 3.47Å; L29-A33 PolarHBondContact O-N 3.02Å
30M97.4Very high97.2Very high6 Ų655.2 Ų55.23%0.0330%0.297CS..Hα-helixtrans-64.1-40.5176.1-179.6166.6-68.200112.4V26 Q28 L32 A33 G34 N65 G68 D69 V72 L96 Y97 L100V26-M30 HydrophobicContact CG1-CE 4.28Å; V26-M30 WeakPolarHBondContact O-CB 3.47Å; V26-M30 PolarHBondContact O-N 3.39Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-M30 PolarHBondContact O-N 2.9Å; M30-L32 VanDerWaalsContact C-N 3.35Å; M30-L32 PolarHBondContact O-N 3.45Å; M30-A33 PolarHBondContact O-N 3.47Å; M30-G34 PolarHBondContact O-N 3.18Å; M30-N65 HydrophobicContact CE-CB 4.04Å; M30-N65 WeakPolarHBondContact CE-O 3.43Å; M30-G68 VanDerWaalsContact SD-CA 3.6Å; M30-D69 WeakPolarHBondContact CG-OD1 3.13Å; M30-V72 HydrophobicContact CG-CG2 3.96Å; M30-L96 HydrophobicContact CE-CD2 4.35Å; M30-L96 HydrophobicContact SD-CD2 4.09Å; M30-L96 HydrophobicContact SD-CG 4.41Å; M30-Y97 HydrophobicContact CE-CE1 4.08Å; M30-Y97 HydrophobicContact SD-CE1 4.43Å; M30-L100 HydrophobicContact SD-CD1 3.59Å; M30-L100 VanDerWaalsContact SD-CD1 3.59Å
31E98.2Very high97.4Very high58 Ų5851.7 Ų51.727%0.27128%0.276SS..Hα-helixtrans-61.8-45176.5-169.862.2-154.700111.2D27 Q28 L35 R75 H76D27-E31 WeakPolarHBondContact O-CB 3.26Å; D27-E31 PolarHBondContact O-N 2.7Å; Q28-E31 PolarHBondContact O-N 3.11Å; E31-L35 VanDerWaalsContact O-CB 3.28Å; E31-L35 WeakPolarHBondContact O-CB 3.41Å; E31-L35 PolarHBondContact O-N 3.49Å; E31-R75 IonicContact OE1-CZ 2.64Å; E31-R75 VanDerWaalsContact OE1-CZ 3.32Å; E31-R75 IonicContact OE1-NH1 2.71Å; E31-R75 PolarHBondContact OE1-NH1 2.83Å; E31-R75 IonicContact OE1-NH2 2.99Å; E31-R75 PolarHBondContact OE1-NH2 2.64Å; E31-R75 IonicContact OE2-CZ 3.49Å; E31-R75 IonicContact OE2-NH1 3.73Å; E31-R75 IonicContact OE2-NH2 2.66Å; E31-R75 PolarHBondContact OE2-NH2 2.52Å; E31-H76 IonicContact OE1-CD2 3.14Å; E31-H76 IonicContact OE1-CE1 3.54Å; E31-H76 IonicContact OE1-NE2 2.77Å; E31-H76 PolarHBondContact OE1-NE2 3.14Å
32L97.3Very high97.4Very high88 Ų8847.5 Ų47.546%0.46126%0.258SS..Hα-helixtrans-67.7-40.4177.7-66.9176.1000112.2Q28 L29 M30 S36 S209Q28-L32 WeakPolarHBondContact O-CG 3.36Å; Q28-L32 PolarHBondContact O-N 3.13Å; L29-L32 PolarHBondContact O-N 3.09Å; M30-L32 VanDerWaalsContact C-N 3.35Å; M30-L32 PolarHBondContact O-N 3.45Å; L32-S36 VanDerWaalsContact O-CB 3.26Å; L32-S36 WeakPolarHBondContact O-CB 3.48Å; L32-S36 PolarHBondContact O-N 3.29Å; L32-S36 PolarHBondContact O-OG 2.72Å; L32-S209 PolarHBondContact O-OG 3.22Å
33A97.7Very high97.5Very high7 Ų748 Ų486%0.05826%0.263CS..Hα-helixtrans-61.2-54.7175.800000111.5L29 M30 L35 S36 C37 L190 S209L29-A33 VanDerWaalsContact O-CB 3.27Å; L29-A33 WeakPolarHBondContact O-CB 3.47Å; L29-A33 PolarHBondContact O-N 3.02Å; M30-A33 PolarHBondContact O-N 3.47Å; A33-L35 PolarHBondContact O-N 2.92Å; A33-S36 PolarHBondContact O-N 3.15Å; A33-S36 VanDerWaalsContact O-N 3.16Å; A33-C37 PolarHBondContact O-N 3.08Å; A33-C37 PolarHBondContact O-SG 3.41Å; A33-L190 HydrophobicContact CB-CD1 3.99Å; A33-L190 HydrophobicContact CB-CD2 4.06Å; A33-S209 VanDerWaalsContact CA-OG 3.28Å; A33-S209 WeakPolarHBondContact CA-OG 3.4Å; A33-S209 PolarHBondContact N-OG 3.29Å
34G98.6Very high97.5Very high0 Ų044.7 Ų44.70%024%0.236CC..Hα-helixtrans-64.8-37.3-179.200000113.3M30 C37 A38 C73M30-G34 PolarHBondContact O-N 3.18Å; G34-C37 WeakPolarHBondContact O-CB 3.32Å; G34-C37 PolarHBondContact O-N 2.86Å; G34-A38 PolarHBondContact O-N 3Å; G34-C73 WeakPolarHBondContact O-CA 3.41Å
35L98.4Very high97.6Very high59 Ų5942.1 Ų42.131%0.30922%0.224SC..Hα-helixtrans-60.1-48.8170.6172.159000111.2E31 A33 C37 A38 V39 H76 F80E31-L35 VanDerWaalsContact O-CB 3.28Å; E31-L35 WeakPolarHBondContact O-CB 3.41Å; E31-L35 PolarHBondContact O-N 3.49Å; A33-L35 PolarHBondContact O-N 2.92Å; L35-C37 VanDerWaalsContact C-N 3.26Å; L35-C37 PolarHBondContact O-N 3.33Å; L35-A38 PolarHBondContact O-N 3.49Å; L35-A38 VanDerWaalsContact O-N 3.12Å; L35-V39 HydrophobicContact CD1-CG2 4.12Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.31Å; L35-H76 HydrophobicContact CD1-CB 4.34Å; L35-F80 HydrophobicContact CD1-CZ 3.9Å
36S97.9Very high97.6Very high34 Ų3441.4 Ų41.424%0.23822%0.219CC..Hα-helixtrans-61.2-37.4179.6-620000111.8L32 A33 V39 A40 S209L32-S36 VanDerWaalsContact O-CB 3.26Å; L32-S36 WeakPolarHBondContact O-CB 3.48Å; L32-S36 PolarHBondContact O-N 3.29Å; L32-S36 PolarHBondContact O-OG 2.72Å; A33-S36 PolarHBondContact O-N 3.15Å; A33-S36 VanDerWaalsContact O-N 3.16Å; S36-V39 PolarHBondContact O-N 3.03Å; S36-A40 WeakPolarHBondContact O-CB 3.38Å; S36-A40 PolarHBondContact O-N 3.32Å; S36-S209 PolarHBondContact OG-OG 3.06Å
37C98.6Very high97.6Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-60.7-49.1171.9-70.50000111.8A33 G34 L35 V39 A40 I41 C73 I163 I188A33-C37 PolarHBondContact O-N 3.08Å; A33-C37 PolarHBondContact O-SG 3.41Å; G34-C37 WeakPolarHBondContact O-CB 3.32Å; G34-C37 PolarHBondContact O-N 2.86Å; L35-C37 VanDerWaalsContact C-N 3.26Å; L35-C37 PolarHBondContact O-N 3.33Å; C37-V39 VanDerWaalsContact C-N 3.28Å; C37-V39 PolarHBondContact O-N 2.88Å; C37-A40 PolarHBondContact O-N 3.03Å; C37-I41 VanDerWaalsContact O-CG1 3.28Å; C37-I41 WeakPolarHBondContact O-CG1 3.4Å; C37-I41 PolarHBondContact O-N 2.86Å; C37-C73 HydrophobicContact CB-CB 4.13Å; C37-I163 HydrophobicContact CB-CD1 4.27Å; C37-I188 HydrophobicContact CB-CD1 4.22Å
38A98.6Very high97.4Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-60.3-38.7178.100000112G34 L35 N42 H76 L77 F80G34-A38 PolarHBondContact O-N 3Å; L35-A38 PolarHBondContact O-N 3.49Å; L35-A38 VanDerWaalsContact O-N 3.12Å; A38-N42 WeakPolarHBondContact O-CB 3.48Å; A38-N42 PolarHBondContact O-N 3.1Å; A38-H76 HydrophobicContact CB-CB 3.51Å; A38-L77 HydrophobicContact CB-CD2 4.05Å; A38-L77 HydrophobicContact CB-CG 3.9Å; A38-F80 HydrophobicContact CB-CD2 4.11Å; A38-F80 HydrophobicContact CB-CE2 3.69Å
39V98.2Very high97.3Very high74 Ų7446.7 Ų46.745%0.44824%0.241SC..Hα-helixtrans-65.1-45.6176.1170.30000111.4L35 S36 C37 N42 K43 F80L35-V39 HydrophobicContact CD1-CG2 4.12Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.31Å; S36-V39 PolarHBondContact O-N 3.03Å; C37-V39 VanDerWaalsContact C-N 3.28Å; C37-V39 PolarHBondContact O-N 2.88Å; V39-N42 PolarHBondContact O-N 3.28Å; V39-K43 PolarHBondContact O-N 2.95Å; V39-F80 HydrophobicContact CG2-CE2 3.96Å; V39-F80 HydrophobicContact CG2-CZ 3.98Å
40A98.3Very high97.1Very high8 Ų846.5 Ų46.57%0.06624%0.24CC..Hα-helixtrans-61.3-44.2177.500000111.6S36 C37 K43 A44 I188 F206S36-A40 WeakPolarHBondContact O-CB 3.38Å; S36-A40 PolarHBondContact O-N 3.32Å; C37-A40 PolarHBondContact O-N 3.03Å; A40-K43 PolarHBondContact O-N 3.42Å; A40-A44 PolarHBondContact O-N 2.95Å; A40-I188 HydrophobicContact CB-CD1 3.86Å; A40-I188 HydrophobicContact CB-CG1 4.08Å; A40-I188 HydrophobicContact CB-CG2 4.38Å; A40-F206 HydrophobicContact CB-CB 3.95Å; A40-F206 HydrophobicContact CB-CD1 4.28Å; A40-F206 HydrophobicContact CB-CD2 3.93Å; A40-F206 HydrophobicContact CB-CG 3.78Å
41I98.2Very high96.6Very high0 Ų052 Ų520%027%0.274CS..Hα-helixtrans-61.2-46.8175.5-68.6169.9000110.4C37 K43 A44 Y45 L77 L128 I130 I161 I188C37-I41 VanDerWaalsContact O-CG1 3.28Å; C37-I41 WeakPolarHBondContact O-CG1 3.4Å; C37-I41 PolarHBondContact O-N 2.86Å; I41-K43 PolarHBondContact O-N 3.31Å; I41-A44 PolarHBondContact O-N 2.92Å; I41-Y45 HydrophobicContact CG2-CD2 4.32Å; I41-Y45 PolarHBondContact O-N 2.8Å; I41-L77 HydrophobicContact CB-CD2 4.18Å; I41-L77 HydrophobicContact CD1-CD1 4.17Å; I41-L77 HydrophobicContact CG2-CD2 3.86Å; I41-L128 HydrophobicContact CG2-CD1 4.06Å; I41-I130 HydrophobicContact CD1-CD1 3.38Å; I41-I130 HydrophobicContact CD1-CG1 3.93Å; I41-I161 HydrophobicContact CD1-CG2 4.14Å; I41-I161 HydrophobicContact CG1-CG1 4.46Å; I41-I161 HydrophobicContact CG1-CG2 3.97Å; I41-I188 HydrophobicContact CD1-CD1 4.29Å; I41-I188 HydrophobicContact CG1-CD1 3.85Å
42N97.4Very high95.7Very high62 Ų6252.2 Ų52.233%0.33227%0.274SS..Hα-helixtrans-62.2-32179.6-173.956.5000113.1A38 V39 P46 F80 Y82A38-N42 WeakPolarHBondContact O-CB 3.48Å; A38-N42 PolarHBondContact O-N 3.1Å; V39-N42 PolarHBondContact O-N 3.28Å; N42-P46 WeakPolarHBondContact O-CA 3.38Å; N42-F80 HydrophobicContact CB-CD2 4.12Å; N42-Y82 WeakPolarHBondContact CA-OH 3.48Å; N42-Y82 HydrophobicContact CB-CE2 4.22Å; N42-Y82 WeakPolarHBondContact OD1-CE2 3.11Å; N42-Y82 PolarHBondContact OD1-OH 2.97Å
43K97.8Very high94.8Very high158 Ų15851.5 Ų51.569%0.68728%0.276SS*.Hα-helixtrans-73.2-40.9175.2-176.6172.4174.3-178.40112.6V39 A40 I41 F206V39-K43 PolarHBondContact O-N 2.95Å; A40-K43 PolarHBondContact O-N 3.42Å; I41-K43 PolarHBondContact O-N 3.31Å; K43-F206 HydrophobicContact CB-CZ 4.46Å; K43-F206 HydrophobicContact CD-CE1 3.84Å; K43-F206 HydrophobicContact CD-CZ 4.22Å; K43-F206 HydrophobicContact CG-CE1 4.4Å; K43-F206 HydrophobicContact CG-CZ 4.29Å
44A97.6Very high93.8Very high6 Ų656.6 Ų56.65%0.0530%0.303CS..Hα-helixtrans-75.7-39.4-178.800000112.8A40 I41 P46 Y204 F206A40-A44 PolarHBondContact O-N 2.95Å; I41-A44 PolarHBondContact O-N 2.92Å; A44-P46 VanDerWaalsContact C-CD 3.49Å; A44-P46 WeakPolarHBondContact O-CD 3.29Å; A44-Y204 HydrophobicContact CB-CD1 4.28Å; A44-Y204 HydrophobicContact CB-CD2 3.94Å; A44-Y204 HydrophobicContact CB-CE2 4.2Å; A44-Y204 HydrophobicContact CB-CG 3.99Å; A44-F206 HydrophobicContact CB-CE2 3.91Å; A44-F206 HydrophobicContact CB-CZ 4.37Å
45Y97.4Very high93.2Very high14 Ų1456.6 Ų56.66%0.05530%0.303CS..SBendtrans-129.460.9-171-52.3-80000111.4I41 Y82 L128 P159 I161 D185 C186 Y204I41-Y45 HydrophobicContact CG2-CD2 4.32Å; I41-Y45 PolarHBondContact O-N 2.8Å; Y45-Y82 PolarHBondContact O-OH 3.18Å; Y45-L128 HydrophobicContact CD1-CD2 3.61Å; Y45-L128 HydrophobicContact CD2-CD1 4.06Å; Y45-L128 HydrophobicContact CD2-CD2 4.2Å; Y45-L128 HydrophobicContact CE1-CD2 3.98Å; Y45-L128 HydrophobicContact CG-CD1 3.9Å; Y45-L128 HydrophobicContact CG-CD2 3.73Å; Y45-L128 HydrophobicContact CG-CG 4.5Å; Y45-P159 HydrophobicContact CE1-CB 4.12Å; Y45-I161 HydrophobicContact CD2-CD1 4.39Å; Y45-I161 HydrophobicContact CD2-CG1 4.31Å; Y45-I161 HydrophobicContact CE2-CD1 3.92Å; Y45-I161 HydrophobicContact CE2-CG1 3.56Å; Y45-D185 WeakPolarHBondContact CE1-OD2 3.22Å; Y45-D185 PolarHBondContact OH-OD2 3.22Å; Y45-C186 HydrophobicContact CE2-CB 3.98Å; Y45-C186 WeakPolarHBondContact OH-CB 3.36Å; Y45-Y204 HydrophobicContact CE1-CD2 4.44Å; Y45-Y204 HydrophobicContact CE1-CE2 4.09Å; Y45-Y204 HydrophobicContact CE2-CD2 4.44Å; Y45-Y204 AromaticContact CZ-CD2 3.94Å
46P96.3Very high93.1Very high31 Ų3154.1 Ų54.120%0.20129%0.29CS..  trans-58.7142.6-176.827.5-36.6000111.1N42 A44 N48 K49N42-P46 WeakPolarHBondContact O-CA 3.38Å; A44-P46 VanDerWaalsContact C-CD 3.49Å; A44-P46 WeakPolarHBondContact O-CD 3.29Å; P46-N48 WeakPolarHBondContact CB-OD1 3.25Å; P46-N48 PolarHBondContact O-N 3.02Å; P46-K49 HydrophobicContact CG-CB 4.46Å; P46-K49 HydrophobicContact CG-CD 3.84Å; P46-K49 HydrophobicContact CG-CG 4.03Å; P46-K49 WeakPolarHBondContact O-CB 3.13Å; P46-K49 PolarHBondContact O-N 2.97Å
47L95.1Very high93.1Very high58 Ų5852.5 Ų52.530%0.30428%0.279SS..G310 helixtrans-48.9-36.5-172.9-77172.9000114.7K49 L50 F80 Y82L47-K49 PolarHBondContact O-N 3.4Å; L47-L50 PolarHBondContact O-N 3.09Å; L47-L50 VanDerWaalsContact O-N 3.08Å; L47-F80 VanDerWaalsContact CD1-O 3.26Å; L47-F80 WeakPolarHBondContact CD1-O 3.48Å; L47-Y82 HydrophobicContact CD1-CD2 4.48Å; L47-Y82 HydrophobicContact CD1-CE2 4.35Å; L47-Y82 HydrophobicContact CD2-CD1 3.56Å; L47-Y82 HydrophobicContact CD2-CD2 3.94Å; L47-Y82 HydrophobicContact CD2-CE1 3.65Å; L47-Y82 HydrophobicContact CD2-CE2 4Å; L47-Y82 HydrophobicContact CD2-CG 3.69Å; L47-Y82 HydrophobicContact CG-CD1 4.42Å; L47-Y82 HydrophobicContact CG-CD2 4.2Å; L47-Y82 HydrophobicContact CG-CE1 4.11Å; L47-Y82 HydrophobicContact CG-CE2 3.85Å; L47-Y82 HydrophobicContact CG-CG 4.44Å
48N93.6Very high93Very high143 Ų14352.5 Ų52.577%0.76528%0.279SS*.G310 helixtrans-68.7-10.7-179.769.4-33000114.4P46P46-N48 WeakPolarHBondContact CB-OD1 3.25Å; P46-N48 PolarHBondContact O-N 3.02Å
49K93.6Very high93Very high147 Ų14752.5 Ų52.564%0.63928%0.279SS*.G310 helixtrans-99.4-6.1173.4-65.1-172.9-179.3-179.50113.1P46 L47P46-K49 HydrophobicContact CG-CB 4.46Å; P46-K49 HydrophobicContact CG-CD 3.84Å; P46-K49 HydrophobicContact CG-CG 4.03Å; P46-K49 WeakPolarHBondContact O-CB 3.13Å; P46-K49 PolarHBondContact O-N 2.97Å; L47-K49 PolarHBondContact O-N 3.4Å
50L93.6Very high93Very high24 Ų2449 Ų4913%0.12626%0.257CS..  trans-97.1129-178.5-61.6-167.8000109.6L47 Y82 D127 L128L47-L50 PolarHBondContact O-N 3.09Å; L47-L50 VanDerWaalsContact O-N 3.08Å; L50-Y82 HydrophobicContact CD1-CD1 4.05Å; L50-Y82 HydrophobicContact CD1-CE1 3.62Å; L50-D127 HydrophobicContact CB-CB 4.26Å; L50-D127 WeakPolarHBondContact CB-OD2 3.35Å; L50-D127 HydrophobicContact CD1-CB 4.22Å; L50-D127 HydrophobicContact CD2-CB 4.03Å; L50-D127 HydrophobicContact CG-CB 4.4Å; L50-L128 HydrophobicContact CD1-CD1 3.97Å; L50-L128 HydrophobicContact CD1-CG 4.32Å; L50-L128 HydrophobicContact CD2-CD2 4.37Å; L50-L128 HydrophobicContact CD2-CG 4.46Å
51T85.6Confident93Very high122 Ų12248.6 Ų48.675%0.74825%0.254SS*.  trans-113.4-21.1-166.758.20000113.4D127T51-D127 PolarHBondContact N-OD1 2.86Å; T51-D127 VanDerWaalsContact N-OD1 3.15Å; T51-D127 PolarHBondContact N-OD2 3.38Å
52K81.1Confident92.9Very high62 Ų6248.6 Ų48.627%0.2725%0.254SS..SBendtrans-89.1123.6-176.4-59.4171.7-170.9173.30109.9N54 G55 S56 S123 Y126 D127K52-N54 PolarHBondContact O-N 2.87Å; K52-G55 PolarHBondContact O-N 3.17Å; K52-G55 VanDerWaalsContact O-N 3.13Å; K52-S56 PolarHBondContact O-N 3.29Å; K52-S56 PolarHBondContact O-OG 2.87Å; K52-S56 VanDerWaalsContact O-OG 3.09Å; K52-S123 VanDerWaalsContact CE-O 3.26Å; K52-S123 WeakPolarHBondContact CE-O 3.4Å; K52-S123 PolarHBondContact NZ-O 3.05Å; K52-Y126 WeakPolarHBondContact CD-O 3.25Å; K52-Y126 PolarHBondContact NZ-O 2.99Å; K52-Y126 VanDerWaalsContact NZ-O 3.15Å; K52-D127 VanDerWaalsContact CB-OD1 3.31Å; K52-D127 WeakPolarHBondContact CB-OD1 3.46Å; K52-D127 WeakPolarHBondContact CG-OD1 3.24Å; K52-D127 VanDerWaalsContact N-CG 3.32Å; K52-D127 PolarHBondContact N-OD1 3.35Å; K52-D127 PolarHBondContact N-OD2 2.92Å
53S77.9Confident92.7Very high72 Ų7248.7 Ų48.750%0.50326%0.258SS..THydrogen-bonded Turntrans48.326.7175.3-65.80000115.4K83S53-K83 VanDerWaalsContact O-CD 3.31Å; S53-K83 WeakPolarHBondContact O-CD 3.41Å; S53-K83 WeakPolarHBondContact O-CE 3.47Å; S53-K83 PolarHBondContact O-NZ 3Å
54N76.7Confident92.6Very high115 Ų11542.5 Ų42.562%0.61524%0.239SC*.THydrogen-bonded Turntrans60.160-173.9-49.2-13000114.2K52K52-N54 PolarHBondContact O-N 2.87Å
55G85.2Confident92.5Very high0 Ų045.1 Ų45.10%025%0.253CS..THydrogen-bonded Turntrans78.343.6173.200000112.6K52 K83 D127K52-G55 PolarHBondContact O-N 3.17Å; K52-G55 VanDerWaalsContact O-N 3.13Å; G55-K83 PolarHBondContact O-N 3.17Å; G55-D127 WeakPolarHBondContact CA-OD2 3.42Å; G55-D127 PolarHBondContact N-OD2 3.12Å
56S95.9Very high92.6Very high6 Ų644.9 Ų44.94%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-73.3132.4175.550.70000111.2K52 K83 S125 Y126 D127 L128K52-S56 PolarHBondContact O-N 3.29Å; K52-S56 PolarHBondContact O-OG 2.87Å; K52-S56 VanDerWaalsContact O-OG 3.09Å; S56-K83 WeakPolarHBondContact CA-O 3.48Å; S56-S125 VanDerWaalsContact CB-O 3.26Å; S56-S125 WeakPolarHBondContact CB-O 3.32Å; S56-S125 PolarHBondContact OG-O 3.07Å; S56-Y126 WeakPolarHBondContact OG-CA 3.26Å; S56-D127 PolarHBondContact O-N 3.3Å; S56-L128 PolarHBondContact O-N 2.95Å
57V97.9Very high92.6Very high0 Ų043.4 Ų43.40%024%0.243CC..EExtended strand (participates in β ladder)trans-128.1134.5-177-177.70000108.8V59 L77 Y82 K83 P84 S85 Y126 L128 I130V57-V59 HydrophobicContact CG1-CG2 4.3Å; V57-L77 HydrophobicContact CG1-CD1 4.37Å; V57-Y82 HydrophobicContact CG2-CD1 3.8Å; V57-Y82 HydrophobicContact CG2-CG 4.45Å; V57-K83 PolarHBondContact N-O 2.88Å; V57-K83 VanDerWaalsContact N-O 3.09Å; V57-P84 CarbonylContact O-C 3.32Å; V57-P84 VanDerWaalsContact O-CA 3.25Å; V57-P84 WeakPolarHBondContact O-CA 3.41Å; V57-S85 PolarHBondContact O-N 2.89Å; V57-Y126 VanDerWaalsContact C-CD1 3.45Å; V57-L128 WeakPolarHBondContact CA-O 3.46Å; V57-L128 HydrophobicContact CG1-CB 4.23Å; V57-L128 HydrophobicContact CG2-CB 4.21Å; V57-L128 HydrophobicContact CG2-CD1 4.16Å; V57-I130 HydrophobicContact CG1-CD1 3.52Å; V57-I130 HydrophobicContact CG1-CG1 3.69Å
58L97.4Very high92.8Very high0 Ų040.7 Ų40.70%023%0.228CC..EExtended strand (participates in β ladder)trans-109.2122.6172.2178.558.2000110F60 S85 H87 L112 L115 L122 Y126 L128 F129 I130L58-F60 HydrophobicContact CB-CE2 4.41Å; L58-F60 HydrophobicContact CD2-CE1 3.92Å; L58-F60 HydrophobicContact CD2-CE2 3.84Å; L58-F60 HydrophobicContact CD2-CZ 3.35Å; L58-F60 HydrophobicContact CG-CD2 4.38Å; L58-F60 HydrophobicContact CG-CE1 4.29Å; L58-F60 HydrophobicContact CG-CE2 3.81Å; L58-F60 HydrophobicContact CG-CZ 3.78Å; L58-S85 WeakPolarHBondContact CA-O 3.22Å; L58-H87 HydrophobicContact CD1-CB 4.28Å; L58-L112 HydrophobicContact CD1-CD1 3.69Å; L58-L115 HydrophobicContact CD1-CD1 4.49Å; L58-L115 HydrophobicContact CD2-CD1 3.69Å; L58-L122 HydrophobicContact CD2-CD2 3.98Å; L58-Y126 HydrophobicContact CB-CD1 3.66Å; L58-Y126 HydrophobicContact CB-CD2 4.09Å; L58-Y126 HydrophobicContact CB-CE1 3.79Å; L58-Y126 HydrophobicContact CB-CE2 4.22Å; L58-Y126 HydrophobicContact CB-CG 3.83Å; L58-Y126 HydrophobicContact CD2-CD2 4.22Å; L58-Y126 HydrophobicContact CD2-CE2 4.12Å; L58-L128 PolarHBondContact N-O 3.49Å; L58-F129 HydrophobicContact CB-CD1 3.81Å; L58-F129 HydrophobicContact CB-CE1 3.95Å; L58-F129 HydrophobicContact CD2-CD1 4.34Å; L58-F129 HydrophobicContact CD2-CE1 3.85Å; L58-F129 HydrophobicContact CD2-CZ 4.49Å; L58-F129 HydrophobicContact CG-CD1 4.49Å; L58-F129 HydrophobicContact CG-CE1 4.45Å; L58-F129 CarbonylContact O-C 3.54Å; L58-F129 WeakPolarHBondContact O-CA 3.49Å; L58-I130 PolarHBondContact O-N 2.82Å
59V98.5Very high93Very high0 Ų034.6 Ų34.60%020%0.196CC..EExtended strand (participates in β ladder)trans-104.2119.8-179-168.10000109.7V57 A74 S85 I86 H87 I130 A132V57-V59 HydrophobicContact CG1-CG2 4.3Å; V59-A74 HydrophobicContact CG2-CB 3.99Å; V59-S85 PolarHBondContact N-O 3.26Å; V59-I86 HydrophobicContact CB-CG1 4.31Å; V59-I86 CarbonylContact O-C 3.51Å; V59-I86 WeakPolarHBondContact O-CA 3.5Å; V59-H87 PolarHBondContact O-N 2.75Å; V59-I130 HydrophobicContact CB-CB 4.35Å; V59-I130 HydrophobicContact CG1-CB 4.05Å; V59-I130 HydrophobicContact CG1-CG2 4.05Å; V59-I130 HydrophobicContact CG2-CB 4.22Å; V59-I130 HydrophobicContact CG2-CD1 3.94Å; V59-I130 HydrophobicContact CG2-CG1 4.44Å; V59-A132 HydrophobicContact CG1-CB 4.39Å
60F97.8Very high93.3Very high0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-96.5102.2177.6-63.2-87.2000109.6L58 H87 L115 F129 I130 A132 L133 I149 I152 M153L58-F60 HydrophobicContact CB-CE2 4.41Å; L58-F60 HydrophobicContact CD2-CE1 3.92Å; L58-F60 HydrophobicContact CD2-CE2 3.84Å; L58-F60 HydrophobicContact CD2-CZ 3.35Å; L58-F60 HydrophobicContact CG-CD2 4.38Å; L58-F60 HydrophobicContact CG-CE1 4.29Å; L58-F60 HydrophobicContact CG-CE2 3.81Å; L58-F60 HydrophobicContact CG-CZ 3.78Å; F60-H87 HydrophobicContact CD1-CB 4.05Å; F60-H87 AromaticContact CD1-CD2 3.95Å; F60-H87 HydrophobicContact CE1-CB 4.4Å; F60-L115 HydrophobicContact CE1-CD1 3.71Å; F60-L115 HydrophobicContact CZ-CD1 4.32Å; F60-F129 HydrophobicContact CE2-CB 4Å; F60-F129 AromaticContact CE2-CD1 3.89Å; F60-F129 HydrophobicContact CE2-CD1 3.89Å; F60-F129 HydrophobicContact CE2-CD2 4.02Å; F60-F129 HydrophobicContact CE2-CE1 4.29Å; F60-F129 HydrophobicContact CE2-CE2 4.41Å; F60-F129 AromaticContact CE2-CG 3.72Å; F60-F129 HydrophobicContact CE2-CG 3.72Å; F60-F129 HydrophobicContact CZ-CD1 4.46Å; F60-F129 HydrophobicContact CZ-CE1 4.42Å; F60-F129 HydrophobicContact CZ-CE2 4.46Å; F60-F129 HydrophobicContact CZ-CG 4.49Å; F60-F129 HydrophobicContact CZ-CZ 4.41Å; F60-I130 PolarHBondContact N-O 2.88Å; F60-A132 CarbonylContact O-C 3.1Å; F60-A132 VanDerWaalsContact O-CA 3.25Å; F60-A132 WeakPolarHBondContact O-CA 3.48Å; F60-A132 WeakPolarHBondContact O-CB 3.42Å; F60-A132 PolarHBondContact O-N 2.78Å; F60-L133 HydrophobicContact CB-CD2 3.96Å; F60-L133 HydrophobicContact CB-CG 4.16Å; F60-L133 PolarHBondContact O-N 3.19Å; F60-I149 HydrophobicContact CB-CG2 4.25Å; F60-I149 HydrophobicContact CD1-CG2 3.31Å; F60-I149 HydrophobicContact CE1-CG2 3.78Å; F60-I149 HydrophobicContact CG-CG2 3.96Å; F60-I152 HydrophobicContact CZ-CG2 4.45Å; F60-M153 HydrophobicContact CB-SD 4.38Å; F60-M153 HydrophobicContact CD2-CG 4Å; F60-M153 HydrophobicContact CD2-SD 3.46Å; F60-M153 WeakPolarHBondContact CD2-SD 3.31Å; F60-M153 HydrophobicContact CE2-CG 3.74Å; F60-M153 HydrophobicContact CE2-SD 3.84Å; F60-M153 HydrophobicContact CG-SD 4Å; F60-M153 HydrophobicContact CZ-CG 4.14Å
61C97.8Very high93.5Very high0 Ų026.5 Ų26.50%016%0.16CC..EExtended strand (participates in β ladder)trans-93.8129.5-175.8-65.80000111.8G67 I86 H87 Y88C61-G67 PolarHBondContact SG-O 3.16Å; C61-I86 HydrophobicContact CB-CG2 4.48Å; C61-H87 PolarHBondContact N-O 3.11Å; C61-Y88 HydrophobicContact CB-CD2 3.89Å; C61-Y88 HydrophobicContact CB-CE2 4.41Å; C61-Y88 HydrophobicContact CB-CG 3.95Å; C61-Y88 VanDerWaalsContact O-CD2 3.28Å; C61-Y88 WeakPolarHBondContact O-CD2 3.33Å
62G96.4Very high94.1Very high0 Ų020.7 Ų20.70%012%0.124CC..  trans-86.9178.6172.800000113.8G64 G67 Y88 A132 L133G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 3.05Å; G62-G67 WeakPolarHBondContact O-CA 3.27Å; G62-Y88 WeakPolarHBondContact O-CE2 3.46Å; G62-A132 PolarHBondContact N-O 3.36Å; G62-L133 WeakPolarHBondContact CA-O 3.41Å
63P94.3Very high95Very high64 Ų6417.8 Ų17.842%0.41611%0.111SC..SBendtrans-80.9-0.7-171.133.5-36.3000114.8R90 F146P63-R90 HydrophobicContact CB-CB 4.42Å; P63-R90 HydrophobicContact CB-CG 4.46Å; P63-F146 HydrophobicContact CG-CZ 4.13Å
64G95.1Very high96Very high28 Ų2814.3 Ų14.329%0.2899%0.087SC..SBendtrans-123.7-158.1-171.200000113.5G62 N66 G67 G68G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 3.05Å; G64-N66 VanDerWaalsContact C-N 3.34Å; G64-N66 PolarHBondContact O-N 2.93Å; G64-G67 PolarHBondContact O-N 3Å; G64-G67 VanDerWaalsContact O-N 3.11Å; G64-G68 PolarHBondContact O-N 2.91Å
65N96.5Very high97Very high62 Ų6210 Ų1033%0.3326%0.062SC..Hα-helixtrans-57.8-43.4-177-72.6-5.8000112.6M30 G67 G68 D69 Y97M30-N65 HydrophobicContact CE-CB 4.04Å; M30-N65 WeakPolarHBondContact CE-O 3.43Å; N65-G67 PolarHBondContact O-N 3.35Å; N65-G68 CarbonylContact O-C 3.53Å; N65-G68 VanDerWaalsContact O-CA 3.28Å; N65-G68 WeakPolarHBondContact O-CA 3.31Å; N65-G68 PolarHBondContact O-N 3.31Å; N65-D69 PolarHBondContact O-N 2.76Å; N65-Y97 PolarHBondContact N-OH 3.19Å; N65-Y97 PolarHBondContact OD1-OH 3.32Å
66N97.6Very high97.7Very high9 Ų911 Ų115%0.0487%0.067CC..Hα-helixtrans-58.5-36.5178.7-154.442.9000112.5G64 G68 D69 G70 A132 F134 G135 I163G64-N66 VanDerWaalsContact C-N 3.34Å; G64-N66 PolarHBondContact O-N 2.93Å; N66-G68 VanDerWaalsContact C-N 3.34Å; N66-D69 WeakPolarHBondContact CA-OD2 3.33Å; N66-D69 WeakPolarHBondContact O-CB 3.43Å; N66-D69 PolarHBondContact O-N 2.84Å; N66-G70 PolarHBondContact O-N 3.1Å; N66-A132 CarbonylContact C-O 3.51Å; N66-A132 WeakPolarHBondContact ND2-CA 3.23Å; N66-A132 WeakPolarHBondContact O-CB 3.29Å; N66-F134 VanDerWaalsContact ND2-C 3.29Å; N66-F134 PolarHBondContact ND2-N 2.88Å; N66-F134 PolarHBondContact ND2-O 3.11Å; N66-G135 PolarHBondContact ND2-N 3.22Å; N66-I163 PolarHBondContact ND2-O 3.42Å; N66-I163 VanDerWaalsContact OD1-CG2 3.29Å; N66-I163 WeakPolarHBondContact OD1-CG2 3.42Å; N66-I163 PolarHBondContact OD1-O 3.25Å
67G98Very high97.8Very high0 Ų010.7 Ų10.70%07%0.065CC..Hα-helixtrans-67.7-36173.900000112.5C61 G62 G64 N65 G70 L71 A132C61-G67 PolarHBondContact SG-O 3.16Å; G62-G67 WeakPolarHBondContact O-CA 3.27Å; G64-G67 PolarHBondContact O-N 3Å; G64-G67 VanDerWaalsContact O-N 3.11Å; N65-G67 PolarHBondContact O-N 3.35Å; G67-G70 PolarHBondContact O-N 3.21Å; G67-L71 WeakPolarHBondContact O-CG 3.33Å; G67-L71 PolarHBondContact O-N 3.24Å; G67-A132 VanDerWaalsContact CA-O 3.26Å; G67-A132 WeakPolarHBondContact CA-O 3.48Å; G67-A132 PolarHBondContact N-O 3.38Å
68G98.3Very high97.8Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-61.1-44.1169.900000112.7M30 G64 N65 N66 G70 L71 V72M30-G68 VanDerWaalsContact SD-CA 3.6Å; G64-G68 PolarHBondContact O-N 2.91Å; N65-G68 CarbonylContact O-C 3.53Å; N65-G68 VanDerWaalsContact O-CA 3.28Å; N65-G68 WeakPolarHBondContact O-CA 3.31Å; N65-G68 PolarHBondContact O-N 3.31Å; N66-G68 VanDerWaalsContact C-N 3.34Å; G68-G70 VanDerWaalsContact C-N 3.27Å; G68-G70 PolarHBondContact O-N 3.01Å; G68-L71 WeakPolarHBondContact O-CB 3.36Å; G68-L71 PolarHBondContact O-N 3.2Å; G68-L71 VanDerWaalsContact O-N 3.13Å; G68-V72 PolarHBondContact O-N 3.46Å
69D98.5Very high97.9Very high16 Ų1619.3 Ų19.39%0.08611%0.105CC..Hα-helixtrans-60.2-39.5174.3-57.5-41.2000111M30 N65 N66 V72 C73 I163M30-D69 WeakPolarHBondContact CG-OD1 3.13Å; N65-D69 PolarHBondContact O-N 2.76Å; N66-D69 WeakPolarHBondContact CA-OD2 3.33Å; N66-D69 WeakPolarHBondContact O-CB 3.43Å; N66-D69 PolarHBondContact O-N 2.84Å; D69-V72 PolarHBondContact O-N 2.91Å; D69-C73 WeakPolarHBondContact O-CB 3.21Å; D69-C73 PolarHBondContact O-N 3.08Å; D69-I163 HydrophobicContact CB-CG2 4.26Å
70G98.8Very high97.8Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-60.6-43.6172.300000113.6N66 G67 G68 C73 A74N66-G70 PolarHBondContact O-N 3.1Å; G67-G70 PolarHBondContact O-N 3.21Å; G68-G70 VanDerWaalsContact C-N 3.27Å; G68-G70 PolarHBondContact O-N 3.01Å; G70-C73 PolarHBondContact O-N 3.34Å; G70-A74 WeakPolarHBondContact O-CB 3.21Å; G70-A74 PolarHBondContact O-N 3.29Å
71L98.8Very high97.7Very high1 Ų124.7 Ų24.71%0.00514%0.141CC..Hα-helixtrans-63.5-45.5176.5-66.4172.5000111.6G67 G68 C73 A74 R75 I86 Y88 L100 V101 C104 F111G67-L71 WeakPolarHBondContact O-CG 3.33Å; G67-L71 PolarHBondContact O-N 3.24Å; G68-L71 WeakPolarHBondContact O-CB 3.36Å; G68-L71 PolarHBondContact O-N 3.2Å; G68-L71 VanDerWaalsContact O-N 3.13Å; L71-C73 VanDerWaalsContact C-N 3.35Å; L71-A74 PolarHBondContact O-N 3.45Å; L71-R75 PolarHBondContact O-N 2.55Å; L71-R75 VanDerWaalsContact O-N 3.1Å; L71-I86 HydrophobicContact CD2-CD1 3.87Å; L71-I86 HydrophobicContact CD2-CG2 4.04Å; L71-Y88 HydrophobicContact CD1-CD1 4.48Å; L71-Y88 HydrophobicContact CD1-CE1 4.11Å; L71-Y88 HydrophobicContact CD2-CD1 4.5Å; L71-L100 HydrophobicContact CB-CB 3.96Å; L71-L100 HydrophobicContact CB-CD1 4.35Å; L71-L100 HydrophobicContact CD1-CB 3.66Å; L71-L100 HydrophobicContact CD1-CD1 4.34Å; L71-L100 HydrophobicContact CG-CB 4.45Å; L71-V101 HydrophobicContact CD1-CG2 4.07Å; L71-V101 HydrophobicContact CD2-CG2 4.49Å; L71-C104 PolarHBondContact O-SG 2.88Å; L71-F111 HydrophobicContact CD2-CE1 3.94Å; L71-F111 HydrophobicContact CD2-CZ 3.92Å
72V98.9Very high97.7Very high0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-62.1-45175.2172.40000110.5M30 G68 D69 A74 R75 H76 L100M30-V72 HydrophobicContact CG-CG2 3.96Å; G68-V72 PolarHBondContact O-N 3.46Å; D69-V72 PolarHBondContact O-N 2.91Å; V72-A74 PolarHBondContact O-N 2.98Å; V72-R75 PolarHBondContact O-N 2.85Å; V72-H76 PolarHBondContact O-CD2 3.47Å; V72-H76 VanDerWaalsContact O-CD2 3.29Å; V72-H76 PolarHBondContact O-N 2.82Å; V72-L100 HydrophobicContact CG2-CD1 4.15Å; V72-L100 HydrophobicContact CG2-CD2 3.59Å
73C98.8Very high97.8Very high0 Ų029.4 Ų29.40%016%0.162CC..Hα-helixtrans-58.5-45.8177.3-1760000111.6G34 C37 D69 G70 L71 R75 H76 L77 I163G34-C73 WeakPolarHBondContact O-CA 3.41Å; C37-C73 HydrophobicContact CB-CB 4.13Å; D69-C73 WeakPolarHBondContact O-CB 3.21Å; D69-C73 PolarHBondContact O-N 3.08Å; G70-C73 PolarHBondContact O-N 3.34Å; L71-C73 VanDerWaalsContact C-N 3.35Å; C73-R75 VanDerWaalsContact C-N 3.33Å; C73-R75 PolarHBondContact O-N 2.84Å; C73-H76 PolarHBondContact O-N 3.22Å; C73-L77 WeakPolarHBondContact O-CB 3.46Å; C73-L77 VanDerWaalsContact O-CG 3.32Å; C73-L77 WeakPolarHBondContact O-CG 3.13Å; C73-L77 PolarHBondContact O-N 2.76Å; C73-I163 HydrophobicContact CB-CD1 4.35Å
74A98.9Very high98Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-57.3-45.917600000111.7V59 G70 L71 V72 H76 L77 K78 P84 I86 I109V59-A74 HydrophobicContact CG2-CB 3.99Å; G70-A74 WeakPolarHBondContact O-CB 3.21Å; G70-A74 PolarHBondContact O-N 3.29Å; L71-A74 PolarHBondContact O-N 3.45Å; V72-A74 PolarHBondContact O-N 2.98Å; A74-H76 PolarHBondContact O-N 2.86Å; A74-L77 PolarHBondContact O-N 3.44Å; A74-K78 PolarHBondContact O-N 2.92Å; A74-P84 HydrophobicContact CB-CB 4.17Å; A74-P84 WeakPolarHBondContact O-CG 3.46Å; A74-I86 HydrophobicContact CB-CD1 3.87Å; A74-I86 HydrophobicContact CB-CG1 3.98Å; A74-I109 HydrophobicContact CB-CD1 4.47Å
75R98.6Very high98.1Very high25 Ų2525.8 Ų25.89%0.09413%0.133CC..Hα-helixtrans-58.2-48.9176.5168.315661.963.70.9112.3E31 L71 V72 C73 K78 M79 M107E31-R75 IonicContact OE1-CZ 2.64Å; E31-R75 VanDerWaalsContact OE1-CZ 3.32Å; E31-R75 IonicContact OE1-NH1 2.71Å; E31-R75 PolarHBondContact OE1-NH1 2.83Å; E31-R75 IonicContact OE1-NH2 2.99Å; E31-R75 PolarHBondContact OE1-NH2 2.64Å; E31-R75 IonicContact OE2-CZ 3.49Å; E31-R75 IonicContact OE2-NH1 3.73Å; E31-R75 IonicContact OE2-NH2 2.66Å; E31-R75 PolarHBondContact OE2-NH2 2.52Å; L71-R75 PolarHBondContact O-N 2.55Å; L71-R75 VanDerWaalsContact O-N 3.1Å; V72-R75 PolarHBondContact O-N 2.85Å; C73-R75 VanDerWaalsContact C-N 3.33Å; C73-R75 PolarHBondContact O-N 2.84Å; R75-K78 WeakPolarHBondContact O-CB 3.26Å; R75-K78 PolarHBondContact O-N 2.89Å; R75-M79 HydrophobicContact CG-CE 3.92Å; R75-M79 PolarHBondContact O-N 2.81Å; R75-M107 HydrophobicContact CB-SD 4.36Å; R75-M107 WeakPolarHBondContact CD-SD 3.19Å; R75-M107 HydrophobicContact CG-CE 3.97Å; R75-M107 HydrophobicContact CG-SD 3.39Å; R75-M107 WeakPolarHBondContact CG-SD 3.42Å
76H98.8Very high98.2Very high19 Ų1922.9 Ų22.99%0.08812%0.117CC..Hα-helixtrans-67.5-37.5179.3-76.2-67.9000112.7E31 L35 A38 V72 C73 A74 K78 M79 F80E31-H76 IonicContact OE1-CD2 3.14Å; E31-H76 IonicContact OE1-CE1 3.54Å; E31-H76 IonicContact OE1-NE2 2.77Å; E31-H76 PolarHBondContact OE1-NE2 3.14Å; L35-H76 HydrophobicContact CD1-CB 4.34Å; A38-H76 HydrophobicContact CB-CB 3.51Å; V72-H76 PolarHBondContact O-CD2 3.47Å; V72-H76 VanDerWaalsContact O-CD2 3.29Å; V72-H76 PolarHBondContact O-N 2.82Å; C73-H76 PolarHBondContact O-N 3.22Å; A74-H76 PolarHBondContact O-N 2.86Å; H76-K78 VanDerWaalsContact C-N 3.31Å; H76-K78 PolarHBondContact O-N 2.78Å; H76-M79 WeakPolarHBondContact O-CA 3.4Å; H76-M79 WeakPolarHBondContact O-CB 3.48Å; H76-M79 PolarHBondContact O-N 3.12Å; H76-F80 WeakPolarHBondContact O-CD1 3.4Å; H76-F80 VanDerWaalsContact O-CG 3.31Å; H76-F80 WeakPolarHBondContact O-CG 3.25Å; H76-F80 PolarHBondContact O-N 2.88Å
77L98.5Very high98.1Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-60.3-40173.8-75.5173.2000112.1A38 I41 V57 C73 A74 M79 F80 G81 Y82 I130A38-L77 HydrophobicContact CB-CD2 4.05Å; A38-L77 HydrophobicContact CB-CG 3.9Å; I41-L77 HydrophobicContact CB-CD2 4.18Å; I41-L77 HydrophobicContact CD1-CD1 4.17Å; I41-L77 HydrophobicContact CG2-CD2 3.86Å; V57-L77 HydrophobicContact CG1-CD1 4.37Å; C73-L77 WeakPolarHBondContact O-CB 3.46Å; C73-L77 VanDerWaalsContact O-CG 3.32Å; C73-L77 WeakPolarHBondContact O-CG 3.13Å; C73-L77 PolarHBondContact O-N 2.76Å; A74-L77 PolarHBondContact O-N 3.44Å; L77-M79 VanDerWaalsContact C-N 3.31Å; L77-M79 PolarHBondContact O-N 3.11Å; L77-F80 CarbonylContact O-C 3.56Å; L77-F80 PolarHBondContact O-N 2.99Å; L77-F80 VanDerWaalsContact O-N 3.11Å; L77-G81 PolarHBondContact O-N 2.87Å; L77-Y82 HydrophobicContact CB-CD2 4.32Å; L77-Y82 HydrophobicContact CB-CG 4.33Å; L77-Y82 HydrophobicContact CD2-CD1 4.45Å; L77-Y82 HydrophobicContact CD2-CD2 3.76Å; L77-Y82 HydrophobicContact CD2-CE2 4Å; L77-Y82 HydrophobicContact CD2-CG 4.04Å; L77-Y82 WeakPolarHBondContact O-CB 3.37Å; L77-Y82 WeakPolarHBondContact O-CD2 3.38Å; L77-Y82 PolarHBondContact O-N 3.11Å; L77-I130 HydrophobicContact CD1-CD1 3.39Å
78K98.3Very high98Very high70 Ų7023.8 Ų23.830%0.30412%0.121SC..Hα-helixtrans-57.5-44.4172.2-17577.1174.9-147.50111.2A74 R75 H76 F80 G81 P84 M107 D108 I109A74-K78 PolarHBondContact O-N 2.92Å; R75-K78 WeakPolarHBondContact O-CB 3.26Å; R75-K78 PolarHBondContact O-N 2.89Å; H76-K78 VanDerWaalsContact C-N 3.31Å; H76-K78 PolarHBondContact O-N 2.78Å; K78-F80 VanDerWaalsContact C-N 3.26Å; K78-F80 PolarHBondContact O-N 2.77Å; K78-G81 PolarHBondContact O-N 3.1Å; K78-G81 VanDerWaalsContact O-N 3.11Å; K78-P84 HydrophobicContact CB-CG 3.9Å; K78-P84 HydrophobicContact CD-CG 4.27Å; K78-M107 HydrophobicContact CB-CE 4.12Å; K78-M107 VanDerWaalsContact CE-O 3.25Å; K78-M107 WeakPolarHBondContact CE-O 3.42Å; K78-M107 HydrophobicContact CG-CE 4.04Å; K78-M107 PolarHBondContact NZ-O 3.35Å; K78-D108 PolarHBondContact NZ-O 3.09Å; K78-I109 HydrophobicContact CB-CD1 3.97Å; K78-I109 HydrophobicContact CB-CG1 4.34Å; K78-I109 HydrophobicContact CD-CG1 4.25Å; K78-I109 HydrophobicContact CG-CD1 4.4Å; K78-I109 HydrophobicContact CG-CG1 4.29Å
79M98.1Very high97.7Very high112 Ų11226.4 Ų26.455%0.55214%0.137SC*.Hα-helixtrans-65.4-29.2176.9-60.2-178.5179.800112.7R75 H76 L77 G81 M107R75-M79 HydrophobicContact CG-CE 3.92Å; R75-M79 PolarHBondContact O-N 2.81Å; H76-M79 WeakPolarHBondContact O-CA 3.4Å; H76-M79 WeakPolarHBondContact O-CB 3.48Å; H76-M79 PolarHBondContact O-N 3.12Å; L77-M79 VanDerWaalsContact C-N 3.31Å; L77-M79 PolarHBondContact O-N 3.11Å; M79-G81 PolarHBondContact O-N 2.92Å; M79-M107 HydrophobicContact CE-CE 3.58Å; M79-M107 HydrophobicContact CE-SD 3.78Å; M79-M107 HydrophobicContact CG-CE 3.67Å; M79-M107 HydrophobicContact SD-CE 4.49Å
80F97.3Very high97.3Very high70 Ų7030.7 Ų30.731%0.30715%0.153SC..THydrogen-bonded Turntrans-80.70.8175.7-61.5-12.1000113.5L35 A38 V39 N42 L47 H76 L77 K78 Y82L35-F80 HydrophobicContact CD1-CZ 3.9Å; A38-F80 HydrophobicContact CB-CD2 4.11Å; A38-F80 HydrophobicContact CB-CE2 3.69Å; V39-F80 HydrophobicContact CG2-CE2 3.96Å; V39-F80 HydrophobicContact CG2-CZ 3.98Å; N42-F80 HydrophobicContact CB-CD2 4.12Å; L47-F80 VanDerWaalsContact CD1-O 3.26Å; L47-F80 WeakPolarHBondContact CD1-O 3.48Å; H76-F80 WeakPolarHBondContact O-CD1 3.4Å; H76-F80 VanDerWaalsContact O-CG 3.31Å; H76-F80 WeakPolarHBondContact O-CG 3.25Å; H76-F80 PolarHBondContact O-N 2.88Å; L77-F80 CarbonylContact O-C 3.56Å; L77-F80 PolarHBondContact O-N 2.99Å; L77-F80 VanDerWaalsContact O-N 3.11Å; K78-F80 VanDerWaalsContact C-N 3.26Å; K78-F80 PolarHBondContact O-N 2.77Å; F80-Y82 HydrophobicContact CB-CD2 3.89Å; F80-Y82 HydrophobicContact CB-CE2 3.94Å
81G96.6Very high96.7Very high43 Ų4338 Ų3844%0.44319%0.192SC..THydrogen-bonded Turntrans95.53175.800000115.2L77 K78 M79L77-G81 PolarHBondContact O-N 2.87Å; K78-G81 PolarHBondContact O-N 3.1Å; K78-G81 VanDerWaalsContact O-N 3.11Å; M79-G81 PolarHBondContact O-N 2.92Å
82Y97.8Very high96.3Very high4 Ų439.2 Ų39.22%0.01620%0.199CC..  trans-73.2166.8172.8-63.4-103.1000110.9N42 Y45 L47 L50 V57 L77 F80 P84N42-Y82 WeakPolarHBondContact CA-OH 3.48Å; N42-Y82 HydrophobicContact CB-CE2 4.22Å; N42-Y82 WeakPolarHBondContact OD1-CE2 3.11Å; N42-Y82 PolarHBondContact OD1-OH 2.97Å; Y45-Y82 PolarHBondContact O-OH 3.18Å; L47-Y82 HydrophobicContact CD1-CD2 4.48Å; L47-Y82 HydrophobicContact CD1-CE2 4.35Å; L47-Y82 HydrophobicContact CD2-CD1 3.56Å; L47-Y82 HydrophobicContact CD2-CD2 3.94Å; L47-Y82 HydrophobicContact CD2-CE1 3.65Å; L47-Y82 HydrophobicContact CD2-CE2 4Å; L47-Y82 HydrophobicContact CD2-CG 3.69Å; L47-Y82 HydrophobicContact CG-CD1 4.42Å; L47-Y82 HydrophobicContact CG-CD2 4.2Å; L47-Y82 HydrophobicContact CG-CE1 4.11Å; L47-Y82 HydrophobicContact CG-CE2 3.85Å; L47-Y82 HydrophobicContact CG-CG 4.44Å; L50-Y82 HydrophobicContact CD1-CD1 4.05Å; L50-Y82 HydrophobicContact CD1-CE1 3.62Å; V57-Y82 HydrophobicContact CG2-CD1 3.8Å; V57-Y82 HydrophobicContact CG2-CG 4.45Å; L77-Y82 HydrophobicContact CB-CD2 4.32Å; L77-Y82 HydrophobicContact CB-CG 4.33Å; L77-Y82 HydrophobicContact CD2-CD1 4.45Å; L77-Y82 HydrophobicContact CD2-CD2 3.76Å; L77-Y82 HydrophobicContact CD2-CE2 4Å; L77-Y82 HydrophobicContact CD2-CG 4.04Å; L77-Y82 WeakPolarHBondContact O-CB 3.37Å; L77-Y82 WeakPolarHBondContact O-CD2 3.38Å; L77-Y82 PolarHBondContact O-N 3.11Å; F80-Y82 HydrophobicContact CB-CD2 3.89Å; F80-Y82 HydrophobicContact CB-CE2 3.94Å; Y82-P84 VanDerWaalsContact C-CD 3.41Å; Y82-P84 WeakPolarHBondContact O-CD 3.47Å
83K97.2Very high96Very high95 Ų9544.9 Ų44.941%0.41323%0.234SC..EExtended strand (participates in β ladder)trans-114.876.4175-61.5-175.1-167.7167.80110.5S53 G55 S56 V57S53-K83 VanDerWaalsContact O-CD 3.31Å; S53-K83 WeakPolarHBondContact O-CD 3.41Å; S53-K83 WeakPolarHBondContact O-CE 3.47Å; S53-K83 PolarHBondContact O-NZ 3Å; G55-K83 PolarHBondContact O-N 3.17Å; S56-K83 WeakPolarHBondContact CA-O 3.48Å; V57-K83 PolarHBondContact N-O 2.88Å; V57-K83 VanDerWaalsContact N-O 3.09Å
84P98.2Very high95.9Very high3 Ų350.5 Ų50.52%0.01926%0.259CS..EExtended strand (participates in β ladder)trans-67.8147.4178.229.4-35.1000111.2V57 A74 K78 Y82 I109 P110V57-P84 CarbonylContact O-C 3.32Å; V57-P84 VanDerWaalsContact O-CA 3.25Å; V57-P84 WeakPolarHBondContact O-CA 3.41Å; A74-P84 HydrophobicContact CB-CB 4.17Å; A74-P84 WeakPolarHBondContact O-CG 3.46Å; K78-P84 HydrophobicContact CB-CG 3.9Å; K78-P84 HydrophobicContact CD-CG 4.27Å; Y82-P84 VanDerWaalsContact C-CD 3.41Å; Y82-P84 WeakPolarHBondContact O-CD 3.47Å; P84-I109 HydrophobicContact CB-CG2 4.19Å; P84-I109 HydrophobicContact CG-CD1 3.94Å; P84-I109 HydrophobicContact CG-CG1 4.08Å; P84-I109 HydrophobicContact CG-CG2 4.04Å; P84-P110 WeakPolarHBondContact O-CD 3.33Å
85S97.5Very high95.8Very high13 Ų1355.9 Ų55.99%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-126.6151159.6-53.60000107.2V57 L58 V59 P110 Y126V57-S85 PolarHBondContact O-N 2.89Å; L58-S85 WeakPolarHBondContact CA-O 3.22Å; V59-S85 PolarHBondContact N-O 3.26Å; S85-P110 WeakPolarHBondContact CA-O 3.44Å; S85-Y126 VanDerWaalsContact CB-OH 3.24Å; S85-Y126 WeakPolarHBondContact CB-OH 3.5Å; S85-Y126 PolarHBondContact OG-OH 3.39Å
86I98.2Very high95.7Very high0 Ų056.7 Ų56.70%029%0.29CS..EExtended strand (participates in β ladder)trans-119.3130.2-176.6-63.7160.5000109.1V59 C61 L71 A74 C104 I109 P110 F111 L112V59-I86 HydrophobicContact CB-CG1 4.31Å; V59-I86 CarbonylContact O-C 3.51Å; V59-I86 WeakPolarHBondContact O-CA 3.5Å; C61-I86 HydrophobicContact CB-CG2 4.48Å; L71-I86 HydrophobicContact CD2-CD1 3.87Å; L71-I86 HydrophobicContact CD2-CG2 4.04Å; A74-I86 HydrophobicContact CB-CD1 3.87Å; A74-I86 HydrophobicContact CB-CG1 3.98Å; I86-C104 HydrophobicContact CD1-CB 3.84Å; I86-I109 HydrophobicContact CD1-CB 4.46Å; I86-I109 HydrophobicContact CD1-CG2 3.56Å; I86-I109 HydrophobicContact CG1-CG2 3.88Å; I86-P110 PolarHBondContact N-O 3.42Å; I86-F111 HydrophobicContact CB-CD1 3.9Å; I86-F111 HydrophobicContact CB-CE1 3.86Å; I86-F111 HydrophobicContact CB-CG 4.37Å; I86-F111 HydrophobicContact CB-CZ 4.29Å; I86-F111 HydrophobicContact CD1-CE1 4Å; I86-F111 HydrophobicContact CD1-CE2 4Å; I86-F111 HydrophobicContact CD1-CZ 3.59Å; I86-F111 HydrophobicContact CG2-CD1 3.68Å; I86-F111 HydrophobicContact CG2-CE1 3.44Å; I86-F111 VanDerWaalsContact CG2-CE1 3.44Å; I86-F111 HydrophobicContact CG2-CZ 4.21Å; I86-F111 CarbonylContact O-C 3.57Å; I86-F111 VanDerWaalsContact O-CA 3.26Å; I86-F111 WeakPolarHBondContact O-CA 3.35Å; I86-L112 PolarHBondContact O-N 3.46Å
87H96.1Very high95.7Very high4 Ų456 Ų562%0.01929%0.286CS..EExtended strand (participates in β ladder)trans-105.1113.6162.2179.765000108.7L58 V59 F60 C61 L112 P113 L115 I149L58-H87 HydrophobicContact CD1-CB 4.28Å; V59-H87 PolarHBondContact O-N 2.75Å; F60-H87 HydrophobicContact CD1-CB 4.05Å; F60-H87 AromaticContact CD1-CD2 3.95Å; F60-H87 HydrophobicContact CE1-CB 4.4Å; C61-H87 PolarHBondContact N-O 3.11Å; H87-L112 PolarHBondContact ND1-O 3.43Å; H87-P113 PolarHBondContact CE1-O 3.26Å; H87-P113 VanDerWaalsContact CE1-O 3.24Å; H87-P113 PolarHBondContact ND1-O 2.86Å; H87-L115 HydrophobicContact CB-CD1 3.74Å; H87-L115 HydrophobicContact CB-CG 4.45Å; H87-I149 WeakPolarHBondContact NE2-CD1 3.41Å
88Y96.4Very high95.7Very high25 Ų2560.3 Ų60.310%0.09831%0.305CS..  trans-128.288.6-179.9-168.1-171.8000109.5C61 G62 L71 R90 P92 V101 F111C61-Y88 HydrophobicContact CB-CD2 3.89Å; C61-Y88 HydrophobicContact CB-CE2 4.41Å; C61-Y88 HydrophobicContact CB-CG 3.95Å; C61-Y88 VanDerWaalsContact O-CD2 3.28Å; C61-Y88 WeakPolarHBondContact O-CD2 3.33Å; G62-Y88 WeakPolarHBondContact O-CE2 3.46Å; L71-Y88 HydrophobicContact CD1-CD1 4.48Å; L71-Y88 HydrophobicContact CD1-CE1 4.11Å; L71-Y88 HydrophobicContact CD2-CD1 4.5Å; Y88-R90 WeakPolarHBondContact CD2-O 3.44Å; Y88-R90 HydrophobicContact CE2-CB 4.4Å; Y88-R90 WeakPolarHBondContact CE2-O 3.41Å; Y88-R90 PolarHBondContact O-N 3.01Å; Y88-R90 VanDerWaalsContact O-N 3.07Å; Y88-P92 HydrophobicContact CE1-CB 4.13Å; Y88-P92 HydrophobicContact CE1-CG 4.15Å; Y88-V101 HydrophobicContact CD1-CG2 4.05Å; Y88-V101 HydrophobicContact CE1-CG2 4.1Å; Y88-F111 HydrophobicContact CD1-CE1 4.39Å
89P91.6Very high95.7Very high54 Ų5460.2 Ų60.235%0.35131%0.308SS..  trans-70.7-7.3-16828.6-37.4000114.2F146 I149P89-F146 HydrophobicContact CG-CD1 4.38Å; P89-F146 HydrophobicContact CG-CE1 3.7Å; P89-F146 HydrophobicContact CG-CZ 4.37Å; P89-I149 HydrophobicContact CB-CD1 4.41Å; P89-I149 HydrophobicContact CG-CD1 3.81Å
90R89Confident95.7Very high107 Ų10755.2 Ų55.240%0.40428%0.284SS..SBendtrans-119.7132.9-178.5-73.5-66-166.6169-1.4110.4P63 Y88 P92 E145 F146P63-R90 HydrophobicContact CB-CB 4.42Å; P63-R90 HydrophobicContact CB-CG 4.46Å; Y88-R90 WeakPolarHBondContact CD2-O 3.44Å; Y88-R90 HydrophobicContact CE2-CB 4.4Å; Y88-R90 WeakPolarHBondContact CE2-O 3.41Å; Y88-R90 PolarHBondContact O-N 3.01Å; Y88-R90 VanDerWaalsContact O-N 3.07Å; R90-P92 WeakPolarHBondContact O-CD 3.43Å; R90-E145 IonicContact CZ-OE1 3.27Å; R90-E145 IonicContact CZ-OE2 2.88Å; R90-E145 IonicContact NE-OE1 3.32Å; R90-E145 PolarHBondContact NE-OE1 3.36Å; R90-E145 IonicContact NE-OE2 3.72Å; R90-E145 IonicContact NH2-OE1 2.64Å; R90-E145 PolarHBondContact NH2-OE1 2.93Å; R90-E145 IonicContact NH2-OE2 3.83Å; R90-E145 PolarHBondContact NH2-OE2 2.72Å; R90-F146 HydrophobicContact CG-CZ 4.22Å
91N88.1Confident95.8Very high153 Ų15352.8 Ų52.882%0.81828%0.275SS*.  trans-65.2124.4171.2-70.3-31.1000110T93N91-T93 PolarHBondContact O-N 3.26Å
92P90.2Very high95.9Very high26 Ų2654.7 Ų54.717%0.16927%0.274CS..  trans-64.5128.8178.523.6-32.4000111.2Y88 R90 K98 V101Y88-P92 HydrophobicContact CE1-CB 4.13Å; Y88-P92 HydrophobicContact CE1-CG 4.15Å; R90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-K98 HydrophobicContact CB-CG 4.17Å; P92-K98 HydrophobicContact CG-CG 4Å; P92-K98 WeakPolarHBondContact O-CE 3.25Å; P92-V101 HydrophobicContact CG-CG2 4.05Å
93T91.8Very high95.9Very high120 Ų12058 Ų5874%0.73629%0.289SS*.  trans-90.5-39.3177.655.50000112.3N91 K98N91-T93 PolarHBondContact O-N 3.26Å; T93-K98 WeakPolarHBondContact O-CE 3.18Å
94K95.9Very high96Very high117 Ų11753.5 Ų53.551%0.50927%0.27SS..SBendtrans-74141179-61.4-173.7-175.1174.90111.6L96 Y97 K98K94-L96 VanDerWaalsContact C-N 3.25Å; K94-L96 PolarHBondContact O-N 3.23Å; K94-Y97 HydrophobicContact CB-CD2 3.96Å; K94-Y97 HydrophobicContact CB-CE2 4.13Å; K94-Y97 HydrophobicContact CB-CG 4.48Å; K94-Y97 HydrophobicContact CD-CD2 4.43Å; K94-Y97 HydrophobicContact CD-CE2 3.75Å; K94-Y97 HydrophobicContact CG-CD2 4.41Å; K94-Y97 HydrophobicContact CG-CE2 4.15Å; K94-Y97 PolarHBondContact O-N 2.95Å; K94-K98 PolarHBondContact O-N 3.35Å
95Q97.4Very high96Very high113 Ų11358.4 Ų58.453%0.52829%0.293SS..Hα-helixtrans-59.3-36.8179.6-169.159.839.300112.5Y97 K98 N99Q95-Y97 PolarHBondContact O-N 3.41Å; Q95-K98 PolarHBondContact O-N 2.71Å; Q95-N99 PolarHBondContact NE2-OD1 2.99Å; Q95-N99 VanDerWaalsContact O-CG 3.23Å; Q95-N99 PolarHBondContact O-N 3.13Å; Q95-N99 PolarHBondContact O-OD1 3.3Å
96L97.7Very high96Very high42 Ų4266 Ų6622%0.2232%0.324CS..Hα-helixtrans-50.9-54.5175175.757.6000111.8V26 D27 M30 K94 K98 N99 L100V26-L96 HydrophobicContact CB-CD2 4.24Å; V26-L96 HydrophobicContact CG1-CD2 3.65Å; D27-L96 HydrophobicContact CB-CD1 3.69Å; M30-L96 HydrophobicContact CE-CD2 4.35Å; M30-L96 HydrophobicContact SD-CD2 4.09Å; M30-L96 HydrophobicContact SD-CG 4.41Å; K94-L96 VanDerWaalsContact C-N 3.25Å; K94-L96 PolarHBondContact O-N 3.23Å; L96-K98 PolarHBondContact O-N 2.92Å; L96-N99 WeakPolarHBondContact O-CB 3.19Å; L96-N99 PolarHBondContact O-N 2.91Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 3.01Å; L96-L100 VanDerWaalsContact O-N 3.12Å
97Y97.9Very high96Very high4 Ų468.1 Ų68.12%0.01633%0.334CS..Hα-helixtrans-71-33.3-177.2-50.1-32.2000112.1M30 N65 K94 Q95 N99 L100 V101M30-Y97 HydrophobicContact CE-CE1 4.08Å; M30-Y97 HydrophobicContact SD-CE1 4.43Å; N65-Y97 PolarHBondContact N-OH 3.19Å; N65-Y97 PolarHBondContact OD1-OH 3.32Å; K94-Y97 HydrophobicContact CB-CD2 3.96Å; K94-Y97 HydrophobicContact CB-CE2 4.13Å; K94-Y97 HydrophobicContact CB-CG 4.48Å; K94-Y97 HydrophobicContact CD-CD2 4.43Å; K94-Y97 HydrophobicContact CD-CE2 3.75Å; K94-Y97 HydrophobicContact CG-CD2 4.41Å; K94-Y97 HydrophobicContact CG-CE2 4.15Å; K94-Y97 PolarHBondContact O-N 2.95Å; Q95-Y97 PolarHBondContact O-N 3.41Å; Y97-N99 VanDerWaalsContact C-N 3.33Å; Y97-L100 PolarHBondContact O-N 2.64Å; Y97-V101 WeakPolarHBondContact O-CG2 3.48Å; Y97-V101 PolarHBondContact O-N 3.49Å
98K98.2Very high96.1Very high91 Ų9174.3 Ų74.340%0.39637%0.367SS..Hα-helixtrans-60.1-44.1172-68.5177.5-178.91770111.4P92 T93 K94 Q95 L96 L100 V101 I102P92-K98 HydrophobicContact CB-CG 4.17Å; P92-K98 HydrophobicContact CG-CG 4Å; P92-K98 WeakPolarHBondContact O-CE 3.25Å; T93-K98 WeakPolarHBondContact O-CE 3.18Å; K94-K98 PolarHBondContact O-N 3.35Å; Q95-K98 PolarHBondContact O-N 2.71Å; L96-K98 PolarHBondContact O-N 2.92Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-L100 PolarHBondContact O-N 3Å; K98-V101 PolarHBondContact O-N 3.42Å; K98-I102 WeakPolarHBondContact O-CG1 3.41Å; K98-I102 PolarHBondContact O-N 2.92Å
99N98.4Very high96.2Very high69 Ų6973.3 Ų73.337%0.36936%0.364SS..Hα-helixtrans-61.5-41.8176.6-68-8.4000111.3Q95 L96 Y97 I102 Q103Q95-N99 PolarHBondContact NE2-OD1 2.99Å; Q95-N99 VanDerWaalsContact O-CG 3.23Å; Q95-N99 PolarHBondContact O-N 3.13Å; Q95-N99 PolarHBondContact O-OD1 3.3Å; L96-N99 WeakPolarHBondContact O-CB 3.19Å; L96-N99 PolarHBondContact O-N 2.91Å; Y97-N99 VanDerWaalsContact C-N 3.33Å; N99-I102 PolarHBondContact O-N 3.17Å; N99-Q103 VanDerWaalsContact O-CG 3.27Å; N99-Q103 WeakPolarHBondContact O-CG 3.37Å; N99-Q103 PolarHBondContact O-N 2.88Å
100L98.6Very high96.5Very high7 Ų773.7 Ų73.74%0.03737%0.366CS..Hα-helixtrans-64.7-38.9176.8-68174.8000112.8M30 L71 V72 L96 Y97 K98 Q103 C104M30-L100 HydrophobicContact SD-CD1 3.59Å; M30-L100 VanDerWaalsContact SD-CD1 3.59Å; L71-L100 HydrophobicContact CB-CB 3.96Å; L71-L100 HydrophobicContact CB-CD1 4.35Å; L71-L100 HydrophobicContact CD1-CB 3.66Å; L71-L100 HydrophobicContact CD1-CD1 4.34Å; L71-L100 HydrophobicContact CG-CB 4.45Å; V72-L100 HydrophobicContact CG2-CD1 4.15Å; V72-L100 HydrophobicContact CG2-CD2 3.59Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 3.01Å; L96-L100 VanDerWaalsContact O-N 3.12Å; Y97-L100 PolarHBondContact O-N 2.64Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-L100 PolarHBondContact O-N 3Å; L100-Q103 PolarHBondContact O-N 2.99Å; L100-C104 PolarHBondContact O-N 3.46Å; L100-C104 PolarHBondContact O-SG 3.03Å
101V98.5Very high96.9Very high19 Ų1971.6 Ų71.612%0.11536%0.36CS..Hα-helixtrans-60.4-49.9173169.30000110.6L71 Y88 P92 Y97 K98 Q103 C104 E105 F111L71-V101 HydrophobicContact CD1-CG2 4.07Å; L71-V101 HydrophobicContact CD2-CG2 4.49Å; Y88-V101 HydrophobicContact CD1-CG2 4.05Å; Y88-V101 HydrophobicContact CE1-CG2 4.1Å; P92-V101 HydrophobicContact CG-CG2 4.05Å; Y97-V101 WeakPolarHBondContact O-CG2 3.48Å; Y97-V101 PolarHBondContact O-N 3.49Å; K98-V101 PolarHBondContact O-N 3.42Å; V101-Q103 VanDerWaalsContact C-N 3.28Å; V101-Q103 PolarHBondContact O-N 3.41Å; V101-C104 WeakPolarHBondContact O-CB 3.39Å; V101-C104 PolarHBondContact O-N 3.33Å; V101-C104 VanDerWaalsContact O-N 3.07Å; V101-E105 HydrophobicContact CG1-CG 4.31Å; V101-E105 WeakPolarHBondContact O-CG 3.36Å; V101-E105 PolarHBondContact O-N 2.76Å; V101-F111 HydrophobicContact CB-CZ 4.21Å; V101-F111 HydrophobicContact CG1-CE1 4.33Å; V101-F111 HydrophobicContact CG1-CE2 4.16Å; V101-F111 HydrophobicContact CG1-CZ 3.89Å; V101-F111 HydrophobicContact CG2-CE1 4.1Å; V101-F111 HydrophobicContact CG2-CZ 4.02Å
102I98.4Very high97.1Very high83 Ų8365.7 Ų65.743%0.42633%0.329SS..Hα-helixtrans-57.1-42.5177.4-66.8166.1000111K98 N99 C104 E105 K106K98-I102 WeakPolarHBondContact O-CG1 3.41Å; K98-I102 PolarHBondContact O-N 2.92Å; N99-I102 PolarHBondContact O-N 3.17Å; I102-C104 PolarHBondContact O-N 3.48Å; I102-E105 PolarHBondContact O-N 3.36Å; I102-K106 HydrophobicContact CG2-CG 4.19Å; I102-K106 WeakPolarHBondContact O-CB 3.39Å; I102-K106 VanDerWaalsContact O-CG 3.22Å; I102-K106 WeakPolarHBondContact O-CG 3.28Å; I102-K106 PolarHBondContact O-N 2.86Å
103Q98.7Very high97Very high72 Ų7269.3 Ų69.334%0.33635%0.352SS..Hα-helixtrans-60.7-43.3176.9-70.8167.223.300112.1N99 L100 V101 K106 M107N99-Q103 VanDerWaalsContact O-CG 3.27Å; N99-Q103 WeakPolarHBondContact O-CG 3.37Å; N99-Q103 PolarHBondContact O-N 2.88Å; L100-Q103 PolarHBondContact O-N 2.99Å; V101-Q103 VanDerWaalsContact C-N 3.28Å; V101-Q103 PolarHBondContact O-N 3.41Å; Q103-K106 PolarHBondContact O-N 3.38Å; Q103-M107 WeakPolarHBondContact O-CG 3.32Å; Q103-M107 PolarHBondContact O-N 3.44Å
104C98.7Very high96.7Very high1 Ų168 Ų681%0.00734%0.34CS..Hα-helixtrans-65-44.4177.5-66.20000111.6L71 I86 L100 V101 I102 K106 M107 D108 I109 F111L71-C104 PolarHBondContact O-SG 2.88Å; I86-C104 HydrophobicContact CD1-CB 3.84Å; L100-C104 PolarHBondContact O-N 3.46Å; L100-C104 PolarHBondContact O-SG 3.03Å; V101-C104 WeakPolarHBondContact O-CB 3.39Å; V101-C104 PolarHBondContact O-N 3.33Å; V101-C104 VanDerWaalsContact O-N 3.07Å; I102-C104 PolarHBondContact O-N 3.48Å; C104-K106 VanDerWaalsContact C-N 3.35Å; C104-K106 PolarHBondContact O-N 2.86Å; C104-M107 CarbonylContact O-C 3.55Å; C104-M107 PolarHBondContact O-N 3.38Å; C104-M107 VanDerWaalsContact O-N 3.1Å; C104-D108 PolarHBondContact O-N 3.3Å; C104-I109 HydrophobicContact CB-CB 4.21Å; C104-I109 HydrophobicContact CB-CD1 4.26Å; C104-I109 WeakPolarHBondContact O-CB 3.45Å; C104-I109 PolarHBondContact O-N 3.34Å; C104-I109 VanDerWaalsContact O-N 3.09Å; C104-F111 HydrophobicContact CB-CE2 3.7Å; C104-F111 HydrophobicContact CB-CZ 3.85Å
105E98.3Very high96.1Very high107 Ų10763.4 Ų63.450%0.532%0.321SS..Hα-helixtrans-61-42.7176.3-69.4175.7153.500111.7V101 I102 M107 D108 F111V101-E105 HydrophobicContact CG1-CG 4.31Å; V101-E105 WeakPolarHBondContact O-CG 3.36Å; V101-E105 PolarHBondContact O-N 2.76Å; I102-E105 PolarHBondContact O-N 3.36Å; E105-M107 PolarHBondContact O-N 3.35Å; E105-M107 VanDerWaalsContact O-N 3.16Å; E105-D108 PolarHBondContact O-N 2.98Å; E105-F111 HydrophobicContact CG-CD2 4.05Å; E105-F111 HydrophobicContact CG-CE2 3.88Å
106K98.5Very high94.9Very high172 Ų17260.5 Ų60.575%0.74831%0.311SS*.THydrogen-bonded Turntrans-68.3-9176.6-69.1-64.6178.4-170.80114.2I102 Q103 C104I102-K106 HydrophobicContact CG2-CG 4.19Å; I102-K106 WeakPolarHBondContact O-CB 3.39Å; I102-K106 VanDerWaalsContact O-CG 3.22Å; I102-K106 WeakPolarHBondContact O-CG 3.28Å; I102-K106 PolarHBondContact O-N 2.86Å; Q103-K106 PolarHBondContact O-N 3.38Å; C104-K106 VanDerWaalsContact C-N 3.35Å; C104-K106 PolarHBondContact O-N 2.86Å
107M98.4Very high93.4Very high45 Ų4564.1 Ų64.122%0.22233%0.331CS..THydrogen-bonded Turntrans-106.916.3173-69.9-173.759.800112.8R75 K78 M79 Q103 C104 E105 I109R75-M107 HydrophobicContact CB-SD 4.36Å; R75-M107 WeakPolarHBondContact CD-SD 3.19Å; R75-M107 HydrophobicContact CG-CE 3.97Å; R75-M107 HydrophobicContact CG-SD 3.39Å; R75-M107 WeakPolarHBondContact CG-SD 3.42Å; K78-M107 HydrophobicContact CB-CE 4.12Å; K78-M107 VanDerWaalsContact CE-O 3.25Å; K78-M107 WeakPolarHBondContact CE-O 3.42Å; K78-M107 HydrophobicContact CG-CE 4.04Å; K78-M107 PolarHBondContact NZ-O 3.35Å; M79-M107 HydrophobicContact CE-CE 3.58Å; M79-M107 HydrophobicContact CE-SD 3.78Å; M79-M107 HydrophobicContact CG-CE 3.67Å; M79-M107 HydrophobicContact SD-CE 4.49Å; Q103-M107 WeakPolarHBondContact O-CG 3.32Å; Q103-M107 PolarHBondContact O-N 3.44Å; C104-M107 CarbonylContact O-C 3.55Å; C104-M107 PolarHBondContact O-N 3.38Å; C104-M107 VanDerWaalsContact O-N 3.1Å; E105-M107 PolarHBondContact O-N 3.35Å; E105-M107 VanDerWaalsContact O-N 3.16Å; M107-I109 VanDerWaalsContact C-N 3.25Å; M107-I109 HydrophobicContact CB-CD1 4.35Å; M107-I109 HydrophobicContact CB-CG1 4.22Å; M107-I109 PolarHBondContact O-N 2.97Å
108D98.1Very high91.5Very high133 Ų13373.4 Ų73.471%0.71137%0.374SS*.THydrogen-bonded Turntrans53.344.4-179.6-53-51.4000111.7K78 C104 E105K78-D108 PolarHBondContact NZ-O 3.09Å; C104-D108 PolarHBondContact O-N 3.3Å; E105-D108 PolarHBondContact O-N 2.98Å
109I98.4Very high89.8Confident4 Ų475.4 Ų75.42%0.02139%0.394CS..  trans-95.7113.9171.1-56.1179.5000107.6A74 K78 P84 I86 C104 M107A74-I109 HydrophobicContact CB-CD1 4.47Å; K78-I109 HydrophobicContact CB-CD1 3.97Å; K78-I109 HydrophobicContact CB-CG1 4.34Å; K78-I109 HydrophobicContact CD-CG1 4.25Å; K78-I109 HydrophobicContact CG-CD1 4.4Å; K78-I109 HydrophobicContact CG-CG1 4.29Å; P84-I109 HydrophobicContact CB-CG2 4.19Å; P84-I109 HydrophobicContact CG-CD1 3.94Å; P84-I109 HydrophobicContact CG-CG1 4.08Å; P84-I109 HydrophobicContact CG-CG2 4.04Å; I86-I109 HydrophobicContact CD1-CB 4.46Å; I86-I109 HydrophobicContact CD1-CG2 3.56Å; I86-I109 HydrophobicContact CG1-CG2 3.88Å; C104-I109 HydrophobicContact CB-CB 4.21Å; C104-I109 HydrophobicContact CB-CD1 4.26Å; C104-I109 WeakPolarHBondContact O-CB 3.45Å; C104-I109 PolarHBondContact O-N 3.34Å; C104-I109 VanDerWaalsContact O-N 3.09Å; M107-I109 VanDerWaalsContact C-N 3.25Å; M107-I109 HydrophobicContact CB-CD1 4.35Å; M107-I109 HydrophobicContact CB-CG1 4.22Å; M107-I109 PolarHBondContact O-N 2.97Å
110P97Very high88.4Confident62 Ų6277.5 Ų77.540%0.40340%0.4SS..PPolyproline II helixtrans-70.7135.6-176.628.2-34.7000111.6P84 S85 I86P84-P110 WeakPolarHBondContact O-CD 3.33Å; S85-P110 WeakPolarHBondContact CA-O 3.44Å; I86-P110 PolarHBondContact N-O 3.42Å
111F96.9Very high87.6Confident64 Ų6480.7 Ų80.728%0.28142%0.418SS..EExtended strand (participates in β ladder)trans-93.2118.7166.2-76-99.7000109.3L71 I86 Y88 V101 C104 E105L71-F111 HydrophobicContact CD2-CE1 3.94Å; L71-F111 HydrophobicContact CD2-CZ 3.92Å; I86-F111 HydrophobicContact CB-CD1 3.9Å; I86-F111 HydrophobicContact CB-CE1 3.86Å; I86-F111 HydrophobicContact CB-CG 4.37Å; I86-F111 HydrophobicContact CB-CZ 4.29Å; I86-F111 HydrophobicContact CD1-CE1 4Å; I86-F111 HydrophobicContact CD1-CE2 4Å; I86-F111 HydrophobicContact CD1-CZ 3.59Å; I86-F111 HydrophobicContact CG2-CD1 3.68Å; I86-F111 HydrophobicContact CG2-CE1 3.44Å; I86-F111 VanDerWaalsContact CG2-CE1 3.44Å; I86-F111 HydrophobicContact CG2-CZ 4.21Å; I86-F111 CarbonylContact O-C 3.57Å; I86-F111 VanDerWaalsContact O-CA 3.26Å; I86-F111 WeakPolarHBondContact O-CA 3.35Å; Y88-F111 HydrophobicContact CD1-CE1 4.39Å; V101-F111 HydrophobicContact CB-CZ 4.21Å; V101-F111 HydrophobicContact CG1-CE1 4.33Å; V101-F111 HydrophobicContact CG1-CE2 4.16Å; V101-F111 HydrophobicContact CG1-CZ 3.89Å; V101-F111 HydrophobicContact CG2-CE1 4.1Å; V101-F111 HydrophobicContact CG2-CZ 4.02Å; C104-F111 HydrophobicContact CB-CE2 3.7Å; C104-F111 HydrophobicContact CB-CZ 3.85Å; E105-F111 HydrophobicContact CG-CD2 4.05Å; E105-F111 HydrophobicContact CG-CE2 3.88Å
112L93.8Very high87Confident29 Ų2980.7 Ų80.715%0.15242%0.417CS..EExtended strand (participates in β ladder)trans-87.9141.8-179.7-55.2-176.7000110.5L58 I86 H87 L115 Y126L58-L112 HydrophobicContact CD1-CD1 3.69Å; I86-L112 PolarHBondContact O-N 3.46Å; H87-L112 PolarHBondContact ND1-O 3.43Å; L112-L115 HydrophobicContact CB-CD2 4Å; L112-L115 HydrophobicContact CD1-CD2 3.98Å; L112-Y126 WeakPolarHBondContact CD1-OH 3.36Å
113P88.5Confident86.3Confident102 Ų10279.4 Ų79.466%0.66242%0.415SS*.  trans-70.6-166175.134.7-38000110.7H87 L115H87-P113 PolarHBondContact CE1-O 3.26Å; H87-P113 VanDerWaalsContact CE1-O 3.24Å; H87-P113 PolarHBondContact ND1-O 2.86Å; P113-L115 PolarHBondContact O-N 3.49Å
114D83.9Confident85.6Confident91 Ų9182.5 Ų82.549%0.48743%0.43SS..  trans-52122.3173.1-167-4.6000111.9T116D114-T116 WeakPolarHBondContact OD1-CG2 3.28Å; D114-T116 PolarHBondContact OD1-N 2.84Å; D114-T116 PolarHBondContact OD1-OG1 2.88Å; D114-T116 PolarHBondContact OD2-OG1 2.59Å
115L83.7Confident85.1Confident22 Ų2284.2 Ų84.212%0.11544%0.441CS..SBendtrans-91.7-1.9-176.9-63.5177.2000112.7L58 F60 H87 L112 P113 N117 L122 I152L58-L115 HydrophobicContact CD1-CD1 4.49Å; L58-L115 HydrophobicContact CD2-CD1 3.69Å; F60-L115 HydrophobicContact CE1-CD1 3.71Å; F60-L115 HydrophobicContact CZ-CD1 4.32Å; H87-L115 HydrophobicContact CB-CD1 3.74Å; H87-L115 HydrophobicContact CB-CG 4.45Å; L112-L115 HydrophobicContact CB-CD2 4Å; L112-L115 HydrophobicContact CD1-CD2 3.98Å; P113-L115 PolarHBondContact O-N 3.49Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.25Å; L115-L122 HydrophobicContact CD2-CD2 4.44Å; L115-I152 HydrophobicContact CB-CD1 4.26Å
116T71.5Confident85Confident51 Ų5179.7 Ų79.731%0.31342%0.42SS..  trans-79.1-14-177.365.10000113.9D114 E118 S148 I152D114-T116 WeakPolarHBondContact OD1-CG2 3.28Å; D114-T116 PolarHBondContact OD1-N 2.84Å; D114-T116 PolarHBondContact OD1-OG1 2.88Å; D114-T116 PolarHBondContact OD2-OG1 2.59Å; T116-E118 PolarHBondContact O-N 2.87Å; T116-E118 VanDerWaalsContact O-N 3.16Å; T116-S148 VanDerWaalsContact CG2-CB 3.47Å; T116-S148 WeakPolarHBondContact CG2-OG 3.26Å; T116-I152 HydrophobicContact CG2-CD1 4.39Å
117N66.7Low84.9Confident119 Ų11972.1 Ų72.164%0.63639%0.388SS*.SBendtrans-90.676.2-177.2-66.1-25.2000111.5L115 T119L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.25Å; N117-T119 VanDerWaalsContact C-N 3.28Å; N117-T119 PolarHBondContact O-N 2.86Å; N117-T119 PolarHBondContact O-OG1 3.3Å
118E57.8Low84.8Confident198 Ų19870 Ų7093%0.92538%0.377SS*.SBendtrans254.4158-66.1-166.116300124.3T116T116-E118 PolarHBondContact O-N 2.87Å; T116-E118 VanDerWaalsContact O-N 3.16Å
119T62.3Low84.8Confident133 Ų13363.8 Ų63.882%0.81634%0.344SS*.  trans-102.4-15.7-179.450.80000114.6N117N117-T119 VanDerWaalsContact C-N 3.28Å; N117-T119 PolarHBondContact O-N 2.86Å; N117-T119 PolarHBondContact O-OG1 3.3Å
120F70.8Confident84.8Confident113 Ų11363.6 Ų63.650%0.49634%0.343SS..  trans-91.6110.1-178.2-115.9-91.9000111.1L122F120-L122 HydrophobicContact CB-CD2 4.2Å; F120-L122 HydrophobicContact CB-CG 4.46Å; F120-L122 HydrophobicContact CD1-CD2 4Å; F120-L122 HydrophobicContact CG-CD2 4.48Å; F120-L122 PolarHBondContact O-N 3.49Å
121N80.8Confident84.9Confident75 Ų7560.6 Ų60.640%0.40132%0.324SS..  trans-76.976.5169.1-167.9-17000110.4S123 Q124 S125N121-S123 PolarHBondContact O-N 3.26Å; N121-S123 VanDerWaalsContact O-N 3.11Å; N121-S123 PolarHBondContact OD1-N 3.01Å; N121-S123 PolarHBondContact OD1-OG 3.4Å; N121-Q124 HydrophobicContact CB-CB 4.49Å; N121-Q124 PolarHBondContact ND2-OE1 3.32Å; N121-Q124 PolarHBondContact O-N 3.41Å; N121-Q124 PolarHBondContact OD1-N 3.36Å; N121-S125 PolarHBondContact O-N 3Å; N121-S125 PolarHBondContact O-OG 3.38Å
122L86.2Confident85Confident18 Ų1857.6 Ų57.69%0.09431%0.31CS..Hα-helixtrans-54.1-35.1-178.9-61.4175000112L58 L115 F120 Q124 S125 Y126 F129 I152 I158L58-L122 HydrophobicContact CD2-CD2 3.98Å; L115-L122 HydrophobicContact CD2-CD2 4.44Å; F120-L122 HydrophobicContact CB-CD2 4.2Å; F120-L122 HydrophobicContact CB-CG 4.46Å; F120-L122 HydrophobicContact CD1-CD2 4Å; F120-L122 HydrophobicContact CG-CD2 4.48Å; F120-L122 PolarHBondContact O-N 3.49Å; L122-Q124 PolarHBondContact O-N 3.26Å; L122-S125 PolarHBondContact O-N 3.22Å; L122-S125 VanDerWaalsContact O-N 3.12Å; L122-Y126 HydrophobicContact CB-CD2 4.45Å; L122-Y126 HydrophobicContact CD2-CD2 3.96Å; L122-Y126 HydrophobicContact CD2-CE2 3.86Å; L122-Y126 PolarHBondContact O-N 3.11Å; L122-F129 HydrophobicContact CB-CE1 4.41Å; L122-F129 HydrophobicContact CB-CZ 3.87Å; L122-F129 HydrophobicContact CD1-CZ 4.09Å; L122-I152 HydrophobicContact CD1-CG2 3.58Å; L122-I158 WeakPolarHBondContact O-CD1 3.38Å
123S82.4Confident85.1Confident56 Ų5656.3 Ų56.339%0.39230%0.304SS..Hα-helixtrans-61.3-30.4-179.881.30000113.6K52 N121K52-S123 VanDerWaalsContact CE-O 3.26Å; K52-S123 WeakPolarHBondContact CE-O 3.4Å; K52-S123 PolarHBondContact NZ-O 3.05Å; N121-S123 PolarHBondContact O-N 3.26Å; N121-S123 VanDerWaalsContact O-N 3.11Å; N121-S123 PolarHBondContact OD1-N 3.01Å; N121-S123 PolarHBondContact OD1-OG 3.4Å
124Q84.3Confident85.5Confident138 Ų13852.6 Ų52.665%0.64528%0.277SS*.Hα-helixtrans-89.7-26.9175.9-70.6-178.6-19.600112.1N121 L122N121-Q124 HydrophobicContact CB-CB 4.49Å; N121-Q124 PolarHBondContact ND2-OE1 3.32Å; N121-Q124 PolarHBondContact O-N 3.41Å; N121-Q124 PolarHBondContact OD1-N 3.36Å; L122-Q124 PolarHBondContact O-N 3.26Å
125S89.6Confident86.1Confident36 Ų3648.9 Ų48.925%0.25226%0.26SS..Hα-helixtrans-85.8-27.8-174.3-56.60000114.5S56 N121 L122S56-S125 VanDerWaalsContact CB-O 3.26Å; S56-S125 WeakPolarHBondContact CB-O 3.32Å; S56-S125 PolarHBondContact OG-O 3.07Å; N121-S125 PolarHBondContact O-N 3Å; N121-S125 PolarHBondContact O-OG 3.38Å; L122-S125 PolarHBondContact O-N 3.22Å; L122-S125 VanDerWaalsContact O-N 3.12Å
126Y95Very high86.7Confident13 Ų1349.3 Ų49.35%0.05126%0.261CS..  trans-125.2133.6-170.8-66.8-75.5000113.4K52 S56 V57 L58 S85 L112 L122 F129 I158K52-Y126 WeakPolarHBondContact CD-O 3.25Å; K52-Y126 PolarHBondContact NZ-O 2.99Å; K52-Y126 VanDerWaalsContact NZ-O 3.15Å; S56-Y126 WeakPolarHBondContact OG-CA 3.26Å; V57-Y126 VanDerWaalsContact C-CD1 3.45Å; L58-Y126 HydrophobicContact CB-CD1 3.66Å; L58-Y126 HydrophobicContact CB-CD2 4.09Å; L58-Y126 HydrophobicContact CB-CE1 3.79Å; L58-Y126 HydrophobicContact CB-CE2 4.22Å; L58-Y126 HydrophobicContact CB-CG 3.83Å; L58-Y126 HydrophobicContact CD2-CD2 4.22Å; L58-Y126 HydrophobicContact CD2-CE2 4.12Å; S85-Y126 VanDerWaalsContact CB-OH 3.24Å; S85-Y126 WeakPolarHBondContact CB-OH 3.5Å; S85-Y126 PolarHBondContact OG-OH 3.39Å; L112-Y126 WeakPolarHBondContact CD1-OH 3.36Å; L122-Y126 HydrophobicContact CB-CD2 4.45Å; L122-Y126 HydrophobicContact CD2-CD2 3.96Å; L122-Y126 HydrophobicContact CD2-CE2 3.86Å; L122-Y126 PolarHBondContact O-N 3.11Å; Y126-F129 HydrophobicContact CD2-CE1 4.28Å; Y126-F129 HydrophobicContact CG-CE1 4.22Å; Y126-I158 WeakPolarHBondContact O-CD1 3.5Å
127D96.1Very high87.7Confident13 Ų1349.4 Ų49.47%0.0727%0.272CS..SBendtrans-79.1-36.5171.3-78.4-56.3000111.9L50 T51 K52 G55 S56 I158 P159L50-D127 HydrophobicContact CB-CB 4.26Å; L50-D127 WeakPolarHBondContact CB-OD2 3.35Å; L50-D127 HydrophobicContact CD1-CB 4.22Å; L50-D127 HydrophobicContact CD2-CB 4.03Å; L50-D127 HydrophobicContact CG-CB 4.4Å; T51-D127 PolarHBondContact N-OD1 2.86Å; T51-D127 VanDerWaalsContact N-OD1 3.15Å; T51-D127 PolarHBondContact N-OD2 3.38Å; K52-D127 VanDerWaalsContact CB-OD1 3.31Å; K52-D127 WeakPolarHBondContact CB-OD1 3.46Å; K52-D127 WeakPolarHBondContact CG-OD1 3.24Å; K52-D127 VanDerWaalsContact N-CG 3.32Å; K52-D127 PolarHBondContact N-OD1 3.35Å; K52-D127 PolarHBondContact N-OD2 2.92Å; G55-D127 WeakPolarHBondContact CA-OD2 3.42Å; G55-D127 PolarHBondContact N-OD2 3.12Å; S56-D127 PolarHBondContact O-N 3.3Å; D127-I158 WeakPolarHBondContact O-CG2 3.1Å; D127-P159 WeakPolarHBondContact O-CD 3.48Å
128L97.6Very high88.8Confident1 Ų145.2 Ų45.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-138146.7-173.6-55175.6000111.7I41 Y45 L50 S56 V57 L58 P159 I161I41-L128 HydrophobicContact CG2-CD1 4.06Å; Y45-L128 HydrophobicContact CD1-CD2 3.61Å; Y45-L128 HydrophobicContact CD2-CD1 4.06Å; Y45-L128 HydrophobicContact CD2-CD2 4.2Å; Y45-L128 HydrophobicContact CE1-CD2 3.98Å; Y45-L128 HydrophobicContact CG-CD1 3.9Å; Y45-L128 HydrophobicContact CG-CD2 3.73Å; Y45-L128 HydrophobicContact CG-CG 4.5Å; L50-L128 HydrophobicContact CD1-CD1 3.97Å; L50-L128 HydrophobicContact CD1-CG 4.32Å; L50-L128 HydrophobicContact CD2-CD2 4.37Å; L50-L128 HydrophobicContact CD2-CG 4.46Å; S56-L128 PolarHBondContact O-N 2.95Å; V57-L128 WeakPolarHBondContact CA-O 3.46Å; V57-L128 HydrophobicContact CG1-CB 4.23Å; V57-L128 HydrophobicContact CG2-CB 4.21Å; V57-L128 HydrophobicContact CG2-CD1 4.16Å; L58-L128 PolarHBondContact N-O 3.49Å; L128-P159 HydrophobicContact CD2-CB 4.03Å; L128-P159 HydrophobicContact CD2-CG 4.33Å; L128-I161 HydrophobicContact CB-CD1 3.84Å; L128-I161 HydrophobicContact CD1-CD1 4.26Å; L128-I161 HydrophobicContact CD2-CD1 4.09Å; L128-I161 HydrophobicContact CG-CD1 4.28Å
129F97.8Very high90.2Very high1 Ų142.6 Ų42.60%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-111.7133167.1-73.4-13000110L58 F60 L122 Y126 I152 M153 S156 I158 P159 V160 I161L58-F129 HydrophobicContact CB-CD1 3.81Å; L58-F129 HydrophobicContact CB-CE1 3.95Å; L58-F129 HydrophobicContact CD2-CD1 4.34Å; L58-F129 HydrophobicContact CD2-CE1 3.85Å; L58-F129 HydrophobicContact CD2-CZ 4.49Å; L58-F129 HydrophobicContact CG-CD1 4.49Å; L58-F129 HydrophobicContact CG-CE1 4.45Å; L58-F129 CarbonylContact O-C 3.54Å; L58-F129 WeakPolarHBondContact O-CA 3.49Å; F60-F129 HydrophobicContact CE2-CB 4Å; F60-F129 AromaticContact CE2-CD1 3.89Å; F60-F129 HydrophobicContact CE2-CD1 3.89Å; F60-F129 HydrophobicContact CE2-CD2 4.02Å; F60-F129 HydrophobicContact CE2-CE1 4.29Å; F60-F129 HydrophobicContact CE2-CE2 4.41Å; F60-F129 AromaticContact CE2-CG 3.72Å; F60-F129 HydrophobicContact CE2-CG 3.72Å; F60-F129 HydrophobicContact CZ-CD1 4.46Å; F60-F129 HydrophobicContact CZ-CE1 4.42Å; F60-F129 HydrophobicContact CZ-CE2 4.46Å; F60-F129 HydrophobicContact CZ-CG 4.49Å; F60-F129 HydrophobicContact CZ-CZ 4.41Å; L122-F129 HydrophobicContact CB-CE1 4.41Å; L122-F129 HydrophobicContact CB-CZ 3.87Å; L122-F129 HydrophobicContact CD1-CZ 4.09Å; Y126-F129 HydrophobicContact CD2-CE1 4.28Å; Y126-F129 HydrophobicContact CG-CE1 4.22Å; F129-I152 HydrophobicContact CE2-CG2 4.26Å; F129-M153 HydrophobicContact CD2-CB 4.45Å; F129-M153 HydrophobicContact CD2-CG 4.03Å; F129-S156 WeakPolarHBondContact CE2-OG 3.44Å; F129-I158 HydrophobicContact CB-CG2 4.16Å; F129-I158 HydrophobicContact CD1-CB 4.46Å; F129-I158 HydrophobicContact CD1-CD1 4.13Å; F129-I158 HydrophobicContact CD1-CG2 3.81Å; F129-I158 HydrophobicContact CD2-CB 4.02Å; F129-I158 HydrophobicContact CD2-CD1 4.46Å; F129-I158 HydrophobicContact CD2-CG2 4.03Å; F129-I158 HydrophobicContact CE1-CD1 3.48Å; F129-I158 VanDerWaalsContact CE1-CD1 3.48Å; F129-I158 HydrophobicContact CE1-CG2 4.27Å; F129-I158 HydrophobicContact CE2-CB 4.12Å; F129-I158 HydrophobicContact CE2-CD1 3.85Å; F129-I158 HydrophobicContact CE2-CG2 4.46Å; F129-I158 HydrophobicContact CG-CB 4.21Å; F129-I158 HydrophobicContact CG-CG2 3.7Å; F129-I158 HydrophobicContact CZ-CB 4.41Å; F129-I158 HydrophobicContact CZ-CD1 3.33Å; F129-I158 HydrophobicContact CZ-CG1 4.41Å; F129-P159 PolarHBondContact N-O 3.49Å; F129-V160 HydrophobicContact CB-CG2 4.17Å; F129-V160 HydrophobicContact CD2-CG2 4.41Å; F129-V160 CarbonylContact O-C 3.4Å; F129-V160 WeakPolarHBondContact O-CA 3.5Å; F129-I161 VanDerWaalsContact O-CD1 3.27Å; F129-I161 WeakPolarHBondContact O-CD1 3.35Å; F129-I161 PolarHBondContact O-N 3.03Å
130I98.7Very high91.2Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-107.7115.6172.7-59.6178000108.3I41 V57 L58 V59 F60 L77 A132 I161 I163I41-I130 HydrophobicContact CD1-CD1 3.38Å; I41-I130 HydrophobicContact CD1-CG1 3.93Å; V57-I130 HydrophobicContact CG1-CD1 3.52Å; V57-I130 HydrophobicContact CG1-CG1 3.69Å; L58-I130 PolarHBondContact O-N 2.82Å; V59-I130 HydrophobicContact CB-CB 4.35Å; V59-I130 HydrophobicContact CG1-CB 4.05Å; V59-I130 HydrophobicContact CG1-CG2 4.05Å; V59-I130 HydrophobicContact CG2-CB 4.22Å; V59-I130 HydrophobicContact CG2-CD1 3.94Å; V59-I130 HydrophobicContact CG2-CG1 4.44Å; F60-I130 PolarHBondContact N-O 2.88Å; L77-I130 HydrophobicContact CD1-CD1 3.39Å; I130-A132 PolarHBondContact O-N 3.37Å; I130-I161 CarbonylContact C-O 3.52Å; I130-I161 WeakPolarHBondContact CA-O 3.45Å; I130-I163 HydrophobicContact CG2-CD1 3.83Å; I130-I163 HydrophobicContact CG2-CG1 4.01Å
131D98.5Very high92.1Very high0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-84.2104.1171.2166.533.7000109.7L133 M153 V160 I161 S162 I163 S167 L182D131-L133 PolarHBondContact OD1-N 3.07Å; D131-M153 HydrophobicContact CB-CE 4.1Å; D131-M153 HydrophobicContact CB-SD 3.91Å; D131-V160 HydrophobicContact CB-CG1 4Å; D131-I161 PolarHBondContact N-O 2.76Å; D131-S162 WeakPolarHBondContact OD2-CB 3.46Å; D131-S162 PolarHBondContact OD2-OG 3.28Å; D131-I163 PolarHBondContact O-N 3.42Å; D131-S167 VanDerWaalsContact CG-OG 3.23Å; D131-S167 WeakPolarHBondContact OD1-CB 3.27Å; D131-S167 PolarHBondContact OD1-OG 2.97Å; D131-S167 WeakPolarHBondContact OD2-CB 3.19Å; D131-S167 PolarHBondContact OD2-N 3.49Å; D131-S167 PolarHBondContact OD2-OG 3.28Å; D131-L182 HydrophobicContact CB-CD2 4.02Å; D131-L182 WeakPolarHBondContact OD2-CD2 3.39Å
132A98.6Very high92.5Very high0 Ų036.5 Ų36.50%021%0.211CC..EExtended strand (participates in β ladder)trans-122.829.6175.400000110.7V59 F60 G62 N66 G67 I130 I163V59-A132 HydrophobicContact CG1-CB 4.39Å; F60-A132 CarbonylContact O-C 3.1Å; F60-A132 VanDerWaalsContact O-CA 3.25Å; F60-A132 WeakPolarHBondContact O-CA 3.48Å; F60-A132 WeakPolarHBondContact O-CB 3.42Å; F60-A132 PolarHBondContact O-N 2.78Å; G62-A132 PolarHBondContact N-O 3.36Å; N66-A132 CarbonylContact C-O 3.51Å; N66-A132 WeakPolarHBondContact ND2-CA 3.23Å; N66-A132 WeakPolarHBondContact O-CB 3.29Å; G67-A132 VanDerWaalsContact CA-O 3.26Å; G67-A132 WeakPolarHBondContact CA-O 3.48Å; G67-A132 PolarHBondContact N-O 3.38Å; I130-A132 PolarHBondContact O-N 3.37Å; A132-I163 HydrophobicContact CB-CD1 4.03Å
133L97.1Very high92.7Very high3 Ų343.7 Ų43.72%0.01624%0.238CC..SBendtrans-77-55.2-176.6-60.9174.7000111.5F60 G62 D131 F146 I149 L150 M153 S167F60-L133 HydrophobicContact CB-CD2 3.96Å; F60-L133 HydrophobicContact CB-CG 4.16Å; F60-L133 PolarHBondContact O-N 3.19Å; G62-L133 WeakPolarHBondContact CA-O 3.41Å; D131-L133 PolarHBondContact OD1-N 3.07Å; L133-F146 HydrophobicContact CD1-CD1 4.47Å; L133-F146 HydrophobicContact CD2-CD1 3.91Å; L133-F146 HydrophobicContact CD2-CE1 4.12Å; L133-I149 HydrophobicContact CD1-CB 4.36Å; L133-I149 HydrophobicContact CD1-CG2 3.85Å; L133-I149 HydrophobicContact CD2-CG2 4.46Å; L133-L150 HydrophobicContact CD1-CD2 3.93Å; L133-L150 HydrophobicContact CD1-CG 4.32Å; L133-M153 HydrophobicContact CD1-CE 3.75Å; L133-S167 WeakPolarHBondContact CB-OG 3.42Å
134F97Very high92.9Very high23 Ų2347.9 Ų47.910%0.10126%0.255CS..  trans-137.7118.4-168.9-60.3-46.9000111.4N66 F138 V142 F146 S167N66-F134 VanDerWaalsContact ND2-C 3.29Å; N66-F134 PolarHBondContact ND2-N 2.88Å; N66-F134 PolarHBondContact ND2-O 3.11Å; F134-F138 HydrophobicContact CB-CB 3.79Å; F134-F138 HydrophobicContact CB-CD1 4.41Å; F134-F138 HydrophobicContact CB-CD2 4.02Å; F134-F138 HydrophobicContact CB-CG 3.81Å; F134-F138 AromaticContact CD1-CD2 3.7Å; F134-F138 HydrophobicContact CD1-CD2 3.7Å; F134-F138 HydrophobicContact CD1-CE2 4.2Å; F134-F138 HydrophobicContact CD1-CG 4.37Å; F134-F138 HydrophobicContact CD2-CD2 4.04Å; F134-F138 HydrophobicContact CD2-CE2 4.02Å; F134-F138 HydrophobicContact CD2-CG 4.41Å; F134-F138 HydrophobicContact CD2-CZ 4.38Å; F134-F138 HydrophobicContact CE1-CD2 4.18Å; F134-F138 HydrophobicContact CE1-CE2 4.28Å; F134-F138 HydrophobicContact CE2-CD2 4.48Å; F134-F138 HydrophobicContact CE2-CE2 4.11Å; F134-F138 HydrophobicContact CG-CB 4.36Å; F134-F138 AromaticContact CG-CD2 3.63Å; F134-F138 HydrophobicContact CG-CD2 3.63Å; F134-F138 HydrophobicContact CG-CE2 4.08Å; F134-F138 AromaticContact CG-CG 3.95Å; F134-F138 HydrophobicContact CG-CG 3.95Å; F134-F138 HydrophobicContact CZ-CE2 4.23Å; F134-V142 HydrophobicContact CE2-CG1 3.94Å; F134-V142 HydrophobicContact CE2-CG2 4.27Å; F134-V142 HydrophobicContact CZ-CG1 4.46Å; F134-F146 HydrophobicContact CE1-CD2 4.27Å; F134-F146 HydrophobicContact CE1-CE2 4.36Å; F134-F146 HydrophobicContact CE1-CG 4.47Å; F134-F146 HydrophobicContact CE2-CB 4Å; F134-F146 HydrophobicContact CE2-CG 4.19Å; F134-F146 HydrophobicContact CZ-CB 3.84Å; F134-F146 HydrophobicContact CZ-CD1 4.09Å; F134-F146 AromaticContact CZ-CD2 3.55Å; F134-F146 HydrophobicContact CZ-CD2 3.55Å; F134-F146 HydrophobicContact CZ-CE2 4.08Å; F134-F146 AromaticContact CZ-CG 3.56Å; F134-F146 HydrophobicContact CZ-CG 3.56Å; F134-S167 PolarHBondContact N-OG 3.41Å; F134-S167 PolarHBondContact O-OG 3.12Å
135G95.5Very high92.9Very high13 Ų1344.5 Ų44.513%0.13424%0.239CC..  trans-92-166173.300000112.3N66 G137 F138N66-G135 PolarHBondContact ND2-N 3.22Å; G135-G137 PolarHBondContact O-N 2.99Å; G135-F138 WeakPolarHBondContact O-CB 3.32Å; G135-F138 PolarHBondContact O-N 3.29Å
136F96.1Very high93Very high32 Ų3243 Ų4314%0.1423%0.228CC..THydrogen-bonded Turntrans-57.1-19.6-178.480.1-85.3000115.5Q8 A11 Q12 D15 F138 D164 V165 V171 K194Q8-F136 WeakPolarHBondContact CG-O 3.43Å; Q8-F136 PolarHBondContact NE2-O 2.92Å; A11-F136 HydrophobicContact CB-CD2 3.55Å; A11-F136 HydrophobicContact CB-CE2 3.86Å; A11-F136 HydrophobicContact CB-CG 4.08Å; Q12-F136 HydrophobicContact CB-CE2 4.42Å; Q12-F136 HydrophobicContact CG-CD2 4.33Å; Q12-F136 HydrophobicContact CG-CE2 3.69Å; D15-F136 HydrophobicContact CB-CZ 4.16Å; D15-F136 WeakPolarHBondContact OD2-CE1 3.37Å; D15-F136 WeakPolarHBondContact OD2-CZ 3.25Å; F136-F138 PolarHBondContact O-N 3.39Å; F136-D164 WeakPolarHBondContact CB-OD2 3.22Å; F136-D164 WeakPolarHBondContact CD1-OD2 3.41Å; F136-D164 PolarHBondContact N-OD2 3.37Å; F136-V165 HydrophobicContact CB-CG2 4.3Å; F136-V171 HydrophobicContact CB-CG1 4.04Å; F136-V171 WeakPolarHBondContact O-CG2 3.28Å; F136-K194 HydrophobicContact CB-CD 4.01Å; F136-K194 HydrophobicContact CB-CG 3.86Å
137G93.7Very high92.9Very high52 Ų5247.9 Ų47.954%0.53625%0.249SC..THydrogen-bonded Turntrans-74.2-7.717600000114.5G135G135-G137 PolarHBondContact O-N 2.99Å
138F89.7Confident92.6Very high31 Ų3149.4 Ų49.414%0.13626%0.261CS..  trans-69.9142.4-177.5176.3-106.7000112.9Q8 F134 G135 F136 P140 V142Q8-F138 PolarHBondContact NE2-O 3.3Å; F134-F138 HydrophobicContact CB-CB 3.79Å; F134-F138 HydrophobicContact CB-CD1 4.41Å; F134-F138 HydrophobicContact CB-CD2 4.02Å; F134-F138 HydrophobicContact CB-CG 3.81Å; F134-F138 AromaticContact CD1-CD2 3.7Å; F134-F138 HydrophobicContact CD1-CD2 3.7Å; F134-F138 HydrophobicContact CD1-CE2 4.2Å; F134-F138 HydrophobicContact CD1-CG 4.37Å; F134-F138 HydrophobicContact CD2-CD2 4.04Å; F134-F138 HydrophobicContact CD2-CE2 4.02Å; F134-F138 HydrophobicContact CD2-CG 4.41Å; F134-F138 HydrophobicContact CD2-CZ 4.38Å; F134-F138 HydrophobicContact CE1-CD2 4.18Å; F134-F138 HydrophobicContact CE1-CE2 4.28Å; F134-F138 HydrophobicContact CE2-CD2 4.48Å; F134-F138 HydrophobicContact CE2-CE2 4.11Å; F134-F138 HydrophobicContact CG-CB 4.36Å; F134-F138 AromaticContact CG-CD2 3.63Å; F134-F138 HydrophobicContact CG-CD2 3.63Å; F134-F138 HydrophobicContact CG-CE2 4.08Å; F134-F138 AromaticContact CG-CG 3.95Å; F134-F138 HydrophobicContact CG-CG 3.95Å; F134-F138 HydrophobicContact CZ-CE2 4.23Å; G135-F138 WeakPolarHBondContact O-CB 3.32Å; G135-F138 PolarHBondContact O-N 3.29Å; F136-F138 PolarHBondContact O-N 3.39Å; F138-P140 HydrophobicContact CE1-CB 4.39Å; F138-P140 HydrophobicContact CE1-CG 3.97Å; F138-V142 HydrophobicContact CE1-CG2 4.12Å; F138-V142 HydrophobicContact CE2-CG2 4.41Å; F138-V142 HydrophobicContact CZ-CB 4.36Å; F138-V142 HydrophobicContact CZ-CG2 3.54Å
139K86.8Confident92.3Very high143 Ų14349.6 Ų49.662%0.62226%0.262SS*.  trans-127.3121.6172.5-63.9-173.7-178.4-176.90108.5
140P83.1Confident92.1Very high57 Ų5750.8 Ų50.837%0.3727%0.268SS..SBendtrans-55.1156.2174.3-24.732.6000112.9F138 L176F138-P140 HydrophobicContact CE1-CB 4.39Å; F138-P140 HydrophobicContact CE1-CG 3.97Å; P140-L176 HydrophobicContact CB-CD1 3.94Å; P140-L176 HydrophobicContact CG-CD1 3.71Å
141P88.7Confident91.8Very high113 Ų11355.4 Ų55.473%0.73429%0.29SS*.SBendcis-87.5158.54.534.5-35.5000114.2R143P141-R143 PolarHBondContact O-N 3.07Å
142V90.3Very high91.5Very high23 Ų2357.1 Ų57.114%0.13930%0.298CS..PPolyproline II helixtrans-67130.5172.4179.30000110.2F134 F138 F146 K147 L150F134-V142 HydrophobicContact CE2-CG1 3.94Å; F134-V142 HydrophobicContact CE2-CG2 4.27Å; F134-V142 HydrophobicContact CZ-CG1 4.46Å; F138-V142 HydrophobicContact CE1-CG2 4.12Å; F138-V142 HydrophobicContact CE2-CG2 4.41Å; F138-V142 HydrophobicContact CZ-CB 4.36Å; F138-V142 HydrophobicContact CZ-CG2 3.54Å; V142-F146 HydrophobicContact CG1-CB 3.71Å; V142-K147 HydrophobicContact CB-CG 4.35Å; V142-K147 HydrophobicContact CG1-CG 4.01Å; V142-K147 WeakPolarHBondContact O-CE 3.48Å; V142-L150 HydrophobicContact CB-CD1 4.37Å; V142-L150 HydrophobicContact CG1-CD1 3.87Å; V142-L150 HydrophobicContact CG2-CD1 3.85Å
143R89.4Confident91.3Very high170 Ų17057.2 Ų57.264%0.64230%0.299SS*.PPolyproline II helixtrans-67.1149.3175.8-61.7-178.5-178.6-177.4-0.5111P141 E145 F146 K147P141-R143 PolarHBondContact O-N 3.07Å; R143-E145 VanDerWaalsContact C-N 3.28Å; R143-E145 HydrophobicContact CB-CG 4.4Å; R143-E145 PolarHBondContact O-N 3.41Å; R143-E145 VanDerWaalsContact O-N 3.16Å; R143-F146 HydrophobicContact CB-CD2 4.3Å; R143-F146 PolarHBondContact O-N 3.04Å; R143-K147 PolarHBondContact O-N 2.99Å
144L86.9Confident91.1Very high144 Ų14459.2 Ų59.275%0.75431%0.313SS*.Hα-helixtrans-51.3-43.5-172.9-175.662.5000113.7F146 K147L144-F146 PolarHBondContact O-N 3.16Å; L144-K147 HydrophobicContact CD1-CD 4.38Å; L144-K147 WeakPolarHBondContact O-CB 3.27Å; L144-K147 PolarHBondContact O-N 3.13Å
145E85.1Confident90.8Very high67 Ų6762.5 Ų62.531%0.31334%0.335SS..Hα-helixtrans-59.2-26.5179.869.9-155.9-14700114.8R90 R143 S148R90-E145 IonicContact CZ-OE1 3.27Å; R90-E145 IonicContact CZ-OE2 2.88Å; R90-E145 IonicContact NE-OE1 3.32Å; R90-E145 PolarHBondContact NE-OE1 3.36Å; R90-E145 IonicContact NE-OE2 3.72Å; R90-E145 IonicContact NH2-OE1 2.64Å; R90-E145 PolarHBondContact NH2-OE1 2.93Å; R90-E145 IonicContact NH2-OE2 3.83Å; R90-E145 PolarHBondContact NH2-OE2 2.72Å; R143-E145 VanDerWaalsContact C-N 3.28Å; R143-E145 HydrophobicContact CB-CG 4.4Å; R143-E145 PolarHBondContact O-N 3.41Å; R143-E145 VanDerWaalsContact O-N 3.16Å; E145-S148 PolarHBondContact O-OG 2.83Å
146F92.3Very high90.6Very high3 Ų363.3 Ų63.31%0.01334%0.339CS..Hα-helixtrans-96.7-14.7177.8-63.4-74.9000112.2P63 P89 R90 L133 F134 V142 R143 L144 I149 L150P63-F146 HydrophobicContact CG-CZ 4.13Å; P89-F146 HydrophobicContact CG-CD1 4.38Å; P89-F146 HydrophobicContact CG-CE1 3.7Å; P89-F146 HydrophobicContact CG-CZ 4.37Å; R90-F146 HydrophobicContact CG-CZ 4.22Å; L133-F146 HydrophobicContact CD1-CD1 4.47Å; L133-F146 HydrophobicContact CD2-CD1 3.91Å; L133-F146 HydrophobicContact CD2-CE1 4.12Å; F134-F146 HydrophobicContact CE1-CD2 4.27Å; F134-F146 HydrophobicContact CE1-CE2 4.36Å; F134-F146 HydrophobicContact CE1-CG 4.47Å; F134-F146 HydrophobicContact CE2-CB 4Å; F134-F146 HydrophobicContact CE2-CG 4.19Å; F134-F146 HydrophobicContact CZ-CB 3.84Å; F134-F146 HydrophobicContact CZ-CD1 4.09Å; F134-F146 AromaticContact CZ-CD2 3.55Å; F134-F146 HydrophobicContact CZ-CD2 3.55Å; F134-F146 HydrophobicContact CZ-CE2 4.08Å; F134-F146 AromaticContact CZ-CG 3.56Å; F134-F146 HydrophobicContact CZ-CG 3.56Å; V142-F146 HydrophobicContact CG1-CB 3.71Å; R143-F146 HydrophobicContact CB-CD2 4.3Å; R143-F146 PolarHBondContact O-N 3.04Å; L144-F146 PolarHBondContact O-N 3.16Å; F146-I149 HydrophobicContact CD1-CD1 4.05Å; F146-I149 PolarHBondContact O-N 3.23Å; F146-L150 WeakPolarHBondContact O-CG 2.99Å; F146-L150 PolarHBondContact O-N 3.11Å
147K91.2Very high90.3Very high117 Ų11770.6 Ų70.651%0.50937%0.374SS..Hα-helixtrans-63.8-42.1177.9-69.8-171.3176.2-173.40111.4V142 R143 L144 I149 L150 Q151V142-K147 HydrophobicContact CB-CG 4.35Å; V142-K147 HydrophobicContact CG1-CG 4.01Å; V142-K147 WeakPolarHBondContact O-CE 3.48Å; R143-K147 PolarHBondContact O-N 2.99Å; L144-K147 HydrophobicContact CD1-CD 4.38Å; L144-K147 WeakPolarHBondContact O-CB 3.27Å; L144-K147 PolarHBondContact O-N 3.13Å; K147-I149 VanDerWaalsContact C-N 3.32Å; K147-I149 PolarHBondContact O-N 3.3Å; K147-L150 PolarHBondContact O-N 2.89Å; K147-Q151 WeakPolarHBondContact O-CB 3.43Å; K147-Q151 PolarHBondContact O-N 3.45Å
148S89.6Confident90.4Very high45 Ų4568.5 Ų68.532%0.31535%0.35SS..Hα-helixtrans-63.6-38.7176.353.70000112.1T116 E145 Q151 I152T116-S148 VanDerWaalsContact CG2-CB 3.47Å; T116-S148 WeakPolarHBondContact CG2-OG 3.26Å; E145-S148 PolarHBondContact O-OG 2.83Å; S148-Q151 WeakPolarHBondContact O-CB 3.26Å; S148-Q151 PolarHBondContact O-N 3.01Å; S148-I152 WeakPolarHBondContact O-CG1 3.37Å; S148-I152 PolarHBondContact O-N 3.13Å
149I93.2Very high90.7Very high4 Ų468.7 Ų68.72%0.02135%0.354CS..Hα-helixtrans-66.5-45.9176.7-57.8172.5000111F60 H87 P89 L133 F146 K147 Q151 I152 M153F60-I149 HydrophobicContact CB-CG2 4.25Å; F60-I149 HydrophobicContact CD1-CG2 3.31Å; F60-I149 HydrophobicContact CE1-CG2 3.78Å; F60-I149 HydrophobicContact CG-CG2 3.96Å; H87-I149 WeakPolarHBondContact NE2-CD1 3.41Å; P89-I149 HydrophobicContact CB-CD1 4.41Å; P89-I149 HydrophobicContact CG-CD1 3.81Å; L133-I149 HydrophobicContact CD1-CB 4.36Å; L133-I149 HydrophobicContact CD1-CG2 3.85Å; L133-I149 HydrophobicContact CD2-CG2 4.46Å; F146-I149 HydrophobicContact CD1-CD1 4.05Å; F146-I149 PolarHBondContact O-N 3.23Å; K147-I149 VanDerWaalsContact C-N 3.32Å; K147-I149 PolarHBondContact O-N 3.3Å; I149-Q151 VanDerWaalsContact C-N 3.28Å; I149-Q151 PolarHBondContact O-N 3.04Å; I149-I152 WeakPolarHBondContact O-CB 3.41Å; I149-I152 PolarHBondContact O-N 3.27Å; I149-M153 HydrophobicContact CG2-CE 4.35Å; I149-M153 PolarHBondContact O-N 3.45Å; I149-M153 VanDerWaalsContact O-N 3.1Å
150L93.6Very high91.3Very high26 Ų2662.2 Ų62.214%0.13633%0.327CS..Hα-helixtrans-60.1-40.7173.9-71.7178.7000111.4L133 V142 F146 K147 M153 S154 S167L133-L150 HydrophobicContact CD1-CD2 3.93Å; L133-L150 HydrophobicContact CD1-CG 4.32Å; V142-L150 HydrophobicContact CB-CD1 4.37Å; V142-L150 HydrophobicContact CG1-CD1 3.87Å; V142-L150 HydrophobicContact CG2-CD1 3.85Å; F146-L150 WeakPolarHBondContact O-CG 2.99Å; F146-L150 PolarHBondContact O-N 3.11Å; K147-L150 PolarHBondContact O-N 2.89Å; L150-M153 HydrophobicContact CD2-CE 3.79Å; L150-M153 PolarHBondContact O-N 3.48Å; L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.35Å; L150-S154 PolarHBondContact O-OG 2.76Å; L150-S154 VanDerWaalsContact O-OG 3.09Å; L150-S167 WeakPolarHBondContact CD2-O 3.49Å
151Q92.2Very high92Very high98 Ų9859.5 Ų59.546%0.45831%0.309SS..Hα-helixtrans-58-51.8175.7-170.368.822.500110.5K147 S148 I149 M153 S154 T155K147-Q151 WeakPolarHBondContact O-CB 3.43Å; K147-Q151 PolarHBondContact O-N 3.45Å; S148-Q151 WeakPolarHBondContact O-CB 3.26Å; S148-Q151 PolarHBondContact O-N 3.01Å; I149-Q151 VanDerWaalsContact C-N 3.28Å; I149-Q151 PolarHBondContact O-N 3.04Å; Q151-M153 VanDerWaalsContact C-N 3.3Å; Q151-M153 PolarHBondContact O-N 3.1Å; Q151-S154 WeakPolarHBondContact CA-OG 3.5Å; Q151-S154 PolarHBondContact O-N 3.1Å; Q151-S154 VanDerWaalsContact O-N 3.15Å; Q151-S154 PolarHBondContact O-OG 2.86Å; Q151-T155 HydrophobicContact CG-CG2 4.39Å; Q151-T155 PolarHBondContact O-N 2.75Å; Q151-T155 PolarHBondContact O-OG1 3.16Å
152I91.9Very high92.5Very high35 Ų3554.1 Ų54.118%0.17927%0.274CS..Hα-helixtrans-50.7-50.5177.2-71.6165000110.9F60 L115 T116 L122 F129 S148 I149 S156F60-I152 HydrophobicContact CZ-CG2 4.45Å; L115-I152 HydrophobicContact CB-CD1 4.26Å; T116-I152 HydrophobicContact CG2-CD1 4.39Å; L122-I152 HydrophobicContact CD1-CG2 3.58Å; F129-I152 HydrophobicContact CE2-CG2 4.26Å; S148-I152 WeakPolarHBondContact O-CG1 3.37Å; S148-I152 PolarHBondContact O-N 3.13Å; I149-I152 WeakPolarHBondContact O-CB 3.41Å; I149-I152 PolarHBondContact O-N 3.27Å; I152-S156 VanDerWaalsContact O-CB 3.28Å; I152-S156 WeakPolarHBondContact O-CB 3.49Å; I152-S156 PolarHBondContact O-N 3.47Å
153M94.2Very high92.9Very high3 Ų353 Ų532%0.01527%0.268CS..Hα-helixtrans-66-45.9-179.4-66.1-170.2-69.600111.8F60 F129 D131 L133 I149 L150 Q151 T155 S156 V160 L182F60-M153 HydrophobicContact CB-SD 4.38Å; F60-M153 HydrophobicContact CD2-CG 4Å; F60-M153 HydrophobicContact CD2-SD 3.46Å; F60-M153 WeakPolarHBondContact CD2-SD 3.31Å; F60-M153 HydrophobicContact CE2-CG 3.74Å; F60-M153 HydrophobicContact CE2-SD 3.84Å; F60-M153 HydrophobicContact CG-SD 4Å; F60-M153 HydrophobicContact CZ-CG 4.14Å; F129-M153 HydrophobicContact CD2-CB 4.45Å; F129-M153 HydrophobicContact CD2-CG 4.03Å; D131-M153 HydrophobicContact CB-CE 4.1Å; D131-M153 HydrophobicContact CB-SD 3.91Å; L133-M153 HydrophobicContact CD1-CE 3.75Å; I149-M153 HydrophobicContact CG2-CE 4.35Å; I149-M153 PolarHBondContact O-N 3.45Å; I149-M153 VanDerWaalsContact O-N 3.1Å; L150-M153 HydrophobicContact CD2-CE 3.79Å; L150-M153 PolarHBondContact O-N 3.48Å; Q151-M153 VanDerWaalsContact C-N 3.3Å; Q151-M153 PolarHBondContact O-N 3.1Å; M153-T155 PolarHBondContact O-N 2.9Å; M153-S156 PolarHBondContact O-N 2.87Å; M153-S156 PolarHBondContact O-OG 3.39Å; M153-V160 HydrophobicContact CB-CG2 4.11Å; M153-V160 HydrophobicContact SD-CG1 4.43Å; M153-L182 HydrophobicContact CB-CD1 3.57Å; M153-L182 HydrophobicContact CE-CD1 4.47Å; M153-L182 HydrophobicContact CE-CD2 4.45Å
154S93.3Very high93.3Very high44 Ų4445.2 Ų45.231%0.30824%0.239SC..Hα-helixtrans-67.2-30-175.468.30000114.5L150 Q151L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.35Å; L150-S154 PolarHBondContact O-OG 2.76Å; L150-S154 VanDerWaalsContact O-OG 3.09Å; Q151-S154 WeakPolarHBondContact CA-OG 3.5Å; Q151-S154 PolarHBondContact O-N 3.1Å; Q151-S154 VanDerWaalsContact O-N 3.15Å; Q151-S154 PolarHBondContact O-OG 2.86Å
155T91.1Very high93.8Very high92 Ų9238.5 Ų38.556%0.56420%0.204SC*.Hα-helixtrans-97.4-6.9179.160.30000113.5Q151 M153Q151-T155 HydrophobicContact CG-CG2 4.39Å; Q151-T155 PolarHBondContact O-N 2.75Å; Q151-T155 PolarHBondContact O-OG1 3.16Å; M153-T155 PolarHBondContact O-N 2.9Å
156S89.9Confident94.4Very high31 Ų3135.3 Ų35.322%0.21719%0.189CC..SBendtrans-75153.1177.577.10000111.7F129 I152 M153 I158F129-S156 WeakPolarHBondContact CE2-OG 3.44Å; I152-S156 VanDerWaalsContact O-CB 3.28Å; I152-S156 WeakPolarHBondContact O-CB 3.49Å; I152-S156 PolarHBondContact O-N 3.47Å; M153-S156 PolarHBondContact O-N 2.87Å; M153-S156 PolarHBondContact O-OG 3.39Å; S156-I158 PolarHBondContact O-N 3.42Å; S156-I158 PolarHBondContact OG-N 2.84Å
157Q91.1Very high94.6Very high185 Ų18535.3 Ų35.386%0.86419%0.189SC*.SBendtrans-87.912.9168.5-62.6-64.5-11.700112.3
158I94.6Very high94.8Very high7 Ų730.5 Ų30.54%0.03617%0.173CC..SBendtrans-88.6131.5-179.3-67.6171.8000108.2L122 Y126 D127 F129 S156 V160L122-I158 WeakPolarHBondContact O-CD1 3.38Å; Y126-I158 WeakPolarHBondContact O-CD1 3.5Å; D127-I158 WeakPolarHBondContact O-CG2 3.1Å; F129-I158 HydrophobicContact CB-CG2 4.16Å; F129-I158 HydrophobicContact CD1-CB 4.46Å; F129-I158 HydrophobicContact CD1-CD1 4.13Å; F129-I158 HydrophobicContact CD1-CG2 3.81Å; F129-I158 HydrophobicContact CD2-CB 4.02Å; F129-I158 HydrophobicContact CD2-CD1 4.46Å; F129-I158 HydrophobicContact CD2-CG2 4.03Å; F129-I158 HydrophobicContact CE1-CD1 3.48Å; F129-I158 VanDerWaalsContact CE1-CD1 3.48Å; F129-I158 HydrophobicContact CE1-CG2 4.27Å; F129-I158 HydrophobicContact CE2-CB 4.12Å; F129-I158 HydrophobicContact CE2-CD1 3.85Å; F129-I158 HydrophobicContact CE2-CG2 4.46Å; F129-I158 HydrophobicContact CG-CB 4.21Å; F129-I158 HydrophobicContact CG-CG2 3.7Å; F129-I158 HydrophobicContact CZ-CB 4.41Å; F129-I158 HydrophobicContact CZ-CD1 3.33Å; F129-I158 HydrophobicContact CZ-CG1 4.41Å; S156-I158 PolarHBondContact O-N 3.42Å; S156-I158 PolarHBondContact OG-N 2.84Å; I158-V160 PolarHBondContact O-N 3.43Å
159P96.7Very high95.1Very high36 Ų3629 Ų2923%0.23416%0.16CC..PPolyproline II helixtrans-53.9122.9171-25.333.3000111.5Y45 D127 L128 F129 D185Y45-P159 HydrophobicContact CE1-CB 4.12Å; D127-P159 WeakPolarHBondContact O-CD 3.48Å; L128-P159 HydrophobicContact CD2-CB 4.03Å; L128-P159 HydrophobicContact CD2-CG 4.33Å; F129-P159 PolarHBondContact N-O 3.49Å; P159-D185 HydrophobicContact CB-CB 4.13Å
160V98.2Very high95.2Very high7 Ų730.8 Ų30.84%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-97133.1175.9179.40000109.7F129 D131 M153 I158 L182 P184 D185 C186F129-V160 HydrophobicContact CB-CG2 4.17Å; F129-V160 HydrophobicContact CD2-CG2 4.41Å; F129-V160 CarbonylContact O-C 3.4Å; F129-V160 WeakPolarHBondContact O-CA 3.5Å; D131-V160 HydrophobicContact CB-CG1 4Å; M153-V160 HydrophobicContact CB-CG2 4.11Å; M153-V160 HydrophobicContact SD-CG1 4.43Å; I158-V160 PolarHBondContact O-N 3.43Å; V160-L182 HydrophobicContact CG1-CD1 4.05Å; V160-L182 HydrophobicContact CG1-CD2 4.09Å; V160-L182 HydrophobicContact CG1-CG 4.26Å; V160-L182 HydrophobicContact CG2-CD1 4.29Å; V160-P184 HydrophobicContact CG1-CB 4.36Å; V160-P184 CarbonylContact O-C 3.56Å; V160-P184 WeakPolarHBondContact O-CA 3.06Å; V160-P184 WeakPolarHBondContact O-CB 3.48Å; V160-D185 PolarHBondContact O-N 2.92Å; V160-C186 PolarHBondContact O-N 3.29Å
161I98.7Very high95.4Very high0 Ų029.8 Ų29.80%017%0.165CC..EExtended strand (participates in β ladder)trans-111.9114.6173.2-56.389.6000108.4I41 Y45 L128 F129 I130 D131 C186 I188I41-I161 HydrophobicContact CD1-CG2 4.14Å; I41-I161 HydrophobicContact CG1-CG1 4.46Å; I41-I161 HydrophobicContact CG1-CG2 3.97Å; Y45-I161 HydrophobicContact CD2-CD1 4.39Å; Y45-I161 HydrophobicContact CD2-CG1 4.31Å; Y45-I161 HydrophobicContact CE2-CD1 3.92Å; Y45-I161 HydrophobicContact CE2-CG1 3.56Å; L128-I161 HydrophobicContact CB-CD1 3.84Å; L128-I161 HydrophobicContact CD1-CD1 4.26Å; L128-I161 HydrophobicContact CD2-CD1 4.09Å; L128-I161 HydrophobicContact CG-CD1 4.28Å; F129-I161 VanDerWaalsContact O-CD1 3.27Å; F129-I161 WeakPolarHBondContact O-CD1 3.35Å; F129-I161 PolarHBondContact O-N 3.03Å; I130-I161 CarbonylContact C-O 3.52Å; I130-I161 WeakPolarHBondContact CA-O 3.45Å; D131-I161 PolarHBondContact N-O 2.76Å; I161-C186 CarbonylContact C-O 3.47Å; I161-C186 WeakPolarHBondContact CA-O 3.39Å; I161-C186 HydrophobicContact CB-CB 4.21Å; I161-C186 HydrophobicContact CG1-CB 3.83Å; I161-C186 HydrophobicContact CG2-CB 3.94Å; I161-I188 HydrophobicContact CG2-CD1 3.56Å; I161-I188 HydrophobicContact CG2-CG1 4.08Å
162S98.8Very high95.6Very high0 Ų028.4 Ų28.40%016%0.158CC..EExtended strand (participates in β ladder)trans-93.4128.2176.2-68.70000111.5D131 P166 C186 I188D131-S162 WeakPolarHBondContact OD2-CB 3.46Å; D131-S162 PolarHBondContact OD2-OG 3.28Å; S162-P166 WeakPolarHBondContact OG-CA 3.41Å; S162-C186 PolarHBondContact N-O 2.96Å; S162-I188 PolarHBondContact O-N 2.99Å
163I98.7Very high95.8Very high0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-83.3126.3170.6-58.6-176.7000108.5C37 N66 D69 C73 I130 D131 A132 V165 L190C37-I163 HydrophobicContact CB-CD1 4.27Å; N66-I163 PolarHBondContact ND2-O 3.42Å; N66-I163 VanDerWaalsContact OD1-CG2 3.29Å; N66-I163 WeakPolarHBondContact OD1-CG2 3.42Å; N66-I163 PolarHBondContact OD1-O 3.25Å; D69-I163 HydrophobicContact CB-CG2 4.26Å; C73-I163 HydrophobicContact CB-CD1 4.35Å; I130-I163 HydrophobicContact CG2-CD1 3.83Å; I130-I163 HydrophobicContact CG2-CG1 4.01Å; D131-I163 PolarHBondContact O-N 3.42Å; A132-I163 HydrophobicContact CB-CD1 4.03Å; I163-V165 VanDerWaalsContact C-N 3.26Å; I163-V165 PolarHBondContact O-N 2.7Å; I163-L190 HydrophobicContact CG2-CD1 3.87Å; I163-L190 HydrophobicContact CG2-CG 4.33Å
164D98Very high95.8Very high6 Ų631.5 Ų31.53%0.03217%0.174CC..SBendtrans69.2-63.3176.9-162.744.4000116F136 I188 L190 K194F136-D164 WeakPolarHBondContact CB-OD2 3.22Å; F136-D164 WeakPolarHBondContact CD1-OD2 3.41Å; F136-D164 PolarHBondContact N-OD2 3.37Å; D164-I188 VanDerWaalsContact CA-O 3.23Å; D164-I188 WeakPolarHBondContact CA-O 3.48Å; D164-I188 PolarHBondContact N-O 3.3Å; D164-L190 HydrophobicContact CB-CD1 4.1Å; D164-L190 HydrophobicContact CB-CG 4.14Å; D164-L190 PolarHBondContact OD1-N 2.75Å; D164-K194 WeakPolarHBondContact OD1-CE 2.95Å; D164-K194 IonicContact OD1-NZ 2.76Å; D164-K194 PolarHBondContact OD1-NZ 2.93Å; D164-K194 WeakPolarHBondContact OD2-CE 3.31Å; D164-K194 IonicContact OD2-NZ 3.92Å
165V97.6Very high95.9Very high3 Ų330.7 Ų30.72%0.01817%0.168CC..SBendtrans-141.4140.6-179.2172.20000107.9F136 I163 S167 W169 K194F136-V165 HydrophobicContact CB-CG2 4.3Å; I163-V165 VanDerWaalsContact C-N 3.26Å; I163-V165 PolarHBondContact O-N 2.7Å; V165-S167 PolarHBondContact O-N 3.26Å; V165-W169 HydrophobicContact CG1-CB 4.41Å; V165-K194 HydrophobicContact CG2-CB 3.99Å; V165-K194 HydrophobicContact CG2-CG 4.19Å
166P97.5Very high95.8Very high0 Ų031.1 Ų31.10%017%0.166CC..  trans-62.2122.4173.5-19.432.9000111.1S162 G168 W169 L182 P184 L187S162-P166 WeakPolarHBondContact OG-CA 3.41Å; P166-G168 PolarHBondContact O-N 3.27Å; P166-W169 HydrophobicContact CB-CD2 3.77Å; P166-W169 HydrophobicContact CB-CE3 4.31Å; P166-W169 HydrophobicContact CB-CG 3.84Å; P166-W169 HydrophobicContact CG-CD2 3.81Å; P166-W169 HydrophobicContact CG-CE3 3.82Å; P166-W169 HydrophobicContact CG-CG 4.31Å; P166-W169 HydrophobicContact CG-CH2 4.41Å; P166-W169 HydrophobicContact CG-CZ2 4.37Å; P166-W169 HydrophobicContact CG-CZ3 4.12Å; P166-W169 VanDerWaalsContact O-CB 3.25Å; P166-W169 WeakPolarHBondContact O-CB 3.48Å; P166-W169 PolarHBondContact O-N 3.04Å; P166-L182 HydrophobicContact CB-CD2 4.39Å; P166-P184 HydrophobicContact CB-CG 3.92Å; P166-P184 HydrophobicContact CG-CG 3.7Å; P166-L187 HydrophobicContact CG-CD1 4.16Å
167S97.4Very high95.7Very high2 Ų233 Ų331%0.01417%0.174CC..THydrogen-bonded Turntrans-59.7132.5-174.3-70.80000112D131 L133 F134 L150 V165 W169D131-S167 VanDerWaalsContact CG-OG 3.23Å; D131-S167 WeakPolarHBondContact OD1-CB 3.27Å; D131-S167 PolarHBondContact OD1-OG 2.97Å; D131-S167 WeakPolarHBondContact OD2-CB 3.19Å; D131-S167 PolarHBondContact OD2-N 3.49Å; D131-S167 PolarHBondContact OD2-OG 3.28Å; L133-S167 WeakPolarHBondContact CB-OG 3.42Å; F134-S167 PolarHBondContact N-OG 3.41Å; F134-S167 PolarHBondContact O-OG 3.12Å; L150-S167 WeakPolarHBondContact CD2-O 3.49Å; V165-S167 PolarHBondContact O-N 3.26Å; S167-W169 VanDerWaalsContact C-N 3.34Å
168G94.7Very high95.2Very high17 Ų1730.7 Ų30.718%0.17517%0.168CC..THydrogen-bonded Turntrans90.3-11.9-175.700000114.5P166P166-G168 PolarHBondContact O-N 3.27Å
169W95.9Very high94.6Very high12 Ų1237.8 Ų37.85%0.04520%0.201CC..SBendtrans-72.4152.9169.5-71.226.9000110.8V165 P166 S167 P175 L182 C196 F199V165-W169 HydrophobicContact CG1-CB 4.41Å; P166-W169 HydrophobicContact CB-CD2 3.77Å; P166-W169 HydrophobicContact CB-CE3 4.31Å; P166-W169 HydrophobicContact CB-CG 3.84Å; P166-W169 HydrophobicContact CG-CD2 3.81Å; P166-W169 HydrophobicContact CG-CE3 3.82Å; P166-W169 HydrophobicContact CG-CG 4.31Å; P166-W169 HydrophobicContact CG-CH2 4.41Å; P166-W169 HydrophobicContact CG-CZ2 4.37Å; P166-W169 HydrophobicContact CG-CZ3 4.12Å; P166-W169 VanDerWaalsContact O-CB 3.25Å; P166-W169 WeakPolarHBondContact O-CB 3.48Å; P166-W169 PolarHBondContact O-N 3.04Å; S167-W169 VanDerWaalsContact C-N 3.34Å; W169-P175 HydrophobicContact CD2-CB 4.19Å; W169-P175 HydrophobicContact CG-CB 4.34Å; W169-P175 HydrophobicContact CH2-CG 4.47Å; W169-P175 HydrophobicContact CZ2-CB 4.23Å; W169-P175 HydrophobicContact CZ2-CG 4.15Å; W169-L182 WeakPolarHBondContact CZ2-O 3.28Å; W169-L182 PolarHBondContact NE1-O 3.36Å; W169-C196 HydrophobicContact CE3-CB 4.21Å; W169-C196 WeakPolarHBondContact CZ3-O 3.4Å; W169-F199 HydrophobicContact CH2-CB 4.19Å; W169-F199 HydrophobicContact CZ3-CB 3.79Å
170N95.9Very high94.1Very high43 Ų4341.4 Ų41.423%0.2322%0.218CC..BIsolated β-bridgetrans-75135161.4-178.2-69.3000108.8E172 I173 G174 L176 C196N170-E172 PolarHBondContact O-N 3.35Å; N170-E172 VanDerWaalsContact O-N 3.1Å; N170-E172 PolarHBondContact OD1-N 3.3Å; N170-I173 HydrophobicContact CB-CD1 4.29Å; N170-I173 HydrophobicContact CB-CG1 3.53Å; N170-I173 VanDerWaalsContact CG-CG1 3.48Å; N170-I173 PolarHBondContact OD1-N 3.46Å; N170-I173 VanDerWaalsContact OD1-N 3.13Å; N170-G174 PolarHBondContact N-O 3.44Å; N170-G174 PolarHBondContact O-N 3.48Å; N170-G174 VanDerWaalsContact O-N 3.08Å; N170-L176 HydrophobicContact CB-CD2 3.8Å; N170-L176 HydrophobicContact CB-CG 4.24Å; N170-C196 WeakPolarHBondContact O-CB 3.48Å
171V96.6Very high93.8Very high4 Ų442 Ų422%0.02422%0.221CC..THydrogen-bonded Turntrans-61.4-21-173.7-178.50000113.3Q8 F136 K194 C196Q8-V171 HydrophobicContact CB-CB 4.18Å; Q8-V171 HydrophobicContact CB-CG1 3.91Å; Q8-V171 HydrophobicContact CG-CB 4.42Å; Q8-V171 HydrophobicContact CG-CG1 4.24Å; F136-V171 HydrophobicContact CB-CG1 4.04Å; F136-V171 WeakPolarHBondContact O-CG2 3.28Å; V171-K194 HydrophobicContact CG1-CB 3.96Å; V171-K194 HydrophobicContact CG1-CG 3.57Å; V171-C196 WeakPolarHBondContact O-CB 3.37Å; V171-C196 PolarHBondContact O-N 3.21Å; V171-C196 PolarHBondContact O-SG 3.4Å
172E96.3Very high93.6Very high69 Ų6942.3 Ų42.332%0.32222%0.222SC..THydrogen-bonded Turntrans-112.9-46.9-178.3-58.4-171.4-158.800113.6S7 Q8 N170 L195 C196S7-E172 WeakPolarHBondContact CB-OE1 3.37Å; Q8-E172 HydrophobicContact CB-CG 4.41Å; Q8-E172 WeakPolarHBondContact CB-OE1 3.49Å; Q8-E172 PolarHBondContact N-OE1 2.9Å; N170-E172 PolarHBondContact O-N 3.35Å; N170-E172 VanDerWaalsContact O-N 3.1Å; N170-E172 PolarHBondContact OD1-N 3.3Å; E172-L195 HydrophobicContact CB-CB 4.11Å; E172-L195 HydrophobicContact CB-CD1 4.12Å; E172-L195 HydrophobicContact CG-CB 4.31Å; E172-L195 HydrophobicContact CG-CD1 4.03Å; E172-L195 CarbonylContact O-C 3.56Å; E172-C196 PolarHBondContact O-N 2.91Å
173I95.5Very high93.5Very high104 Ų10449.2 Ų49.253%0.53325%0.252SS..THydrogen-bonded Turntrans-95.30.4-172.967.9172.9000114N170 L176 F199N170-I173 HydrophobicContact CB-CD1 4.29Å; N170-I173 HydrophobicContact CB-CG1 3.53Å; N170-I173 VanDerWaalsContact CG-CG1 3.48Å; N170-I173 PolarHBondContact OD1-N 3.46Å; N170-I173 VanDerWaalsContact OD1-N 3.13Å; I173-L176 HydrophobicContact CD1-CD2 4.13Å; I173-F199 VanDerWaalsContact C-CE2 3.44Å; I173-F199 WeakPolarHBondContact O-CE2 3.19Å; I173-F199 VanDerWaalsContact O-CZ 3.29Å; I173-F199 WeakPolarHBondContact O-CZ 3.42Å
174G95.3Very high93.5Very high0 Ų049.4 Ų49.40%025%0.254CS..BIsolated β-bridgetrans82.4-149.5177.900000113.7N170N170-G174 PolarHBondContact N-O 3.44Å; N170-G174 PolarHBondContact O-N 3.48Å; N170-G174 VanDerWaalsContact O-N 3.08Å
175P94.8Very high93.5Very high27 Ų2750.4 Ų50.418%0.17526%0.259CS..  trans-64.7135.6-175.826.6-33000111.8W169 N181W169-P175 HydrophobicContact CD2-CB 4.19Å; W169-P175 HydrophobicContact CG-CB 4.34Å; W169-P175 HydrophobicContact CH2-CG 4.47Å; W169-P175 HydrophobicContact CZ2-CB 4.23Å; W169-P175 HydrophobicContact CZ2-CG 4.15Å; P175-N181 HydrophobicContact CB-CB 3.74Å
176L89.4Confident93.6Very high101 Ų10150.3 Ų50.353%0.52926%0.258SS..SBendtrans-81.4-20.3179.5-66.8177000113.8P140 N170 I173P140-L176 HydrophobicContact CB-CD1 3.94Å; P140-L176 HydrophobicContact CG-CD1 3.71Å; N170-L176 HydrophobicContact CB-CD2 3.8Å; N170-L176 HydrophobicContact CB-CG 4.24Å; I173-L176 HydrophobicContact CD1-CD2 4.13Å
177D88.4Confident93.6Very high70 Ų7050.3 Ų50.337%0.37426%0.259SS..SBendtrans-130.4125.7175.5-180-32.8000106.6E179 N180 N181D177-E179 VanDerWaalsContact C-N 3.28Å; D177-E179 PolarHBondContact O-N 3.42Å; D177-E179 PolarHBondContact OD1-N 2.96Å; D177-N180 PolarHBondContact OD1-N 3.2Å; D177-N180 WeakPolarHBondContact OD2-CB 3.28Å; D177-N180 PolarHBondContact OD2-ND2 3.2Å; D177-N181 VanDerWaalsContact O-CB 3.31Å; D177-N181 WeakPolarHBondContact O-CB 3.27Å; D177-N181 PolarHBondContact O-ND2 2.96Å
178N80.2Confident93.7Very high137 Ų13750.2 Ų50.273%0.73326%0.258SS*.SBendtrans-70.4-24-175.7-71.6-31.2000113.4N181N178-N181 VanDerWaalsContact C-ND2 3.31Å; N178-N181 PolarHBondContact O-ND2 2.92Å; N178-N181 VanDerWaalsContact O-ND2 3.1Å
179E82Confident93.8Very high156 Ų15649.4 Ų49.473%0.72925%0.25SC*.SBendtrans-101.5-51.6-175.9-64-172.5172.200111D177 N181D177-E179 VanDerWaalsContact C-N 3.28Å; D177-E179 PolarHBondContact O-N 3.42Å; D177-E179 PolarHBondContact OD1-N 2.96Å; E179-N181 PolarHBondContact O-N 2.96Å
180N86.4Confident93.9Very high111 Ų11149.6 Ų49.659%0.59425%0.251SS*.SBendtrans-96.856.1-174.2-55.3-56.6000112.2D177D177-N180 PolarHBondContact OD1-N 3.2Å; D177-N180 WeakPolarHBondContact OD2-CB 3.28Å; D177-N180 PolarHBondContact OD2-ND2 3.2Å
181N92.1Very high93.8Very high20 Ų2049.7 Ų49.711%0.10725%0.253CS..SBendtrans-124.1160.5173.269.790.1000111.8P175 D177 N178 E179 K183P175-N181 HydrophobicContact CB-CB 3.74Å; D177-N181 VanDerWaalsContact O-CB 3.31Å; D177-N181 WeakPolarHBondContact O-CB 3.27Å; D177-N181 PolarHBondContact O-ND2 2.96Å; N178-N181 VanDerWaalsContact C-ND2 3.31Å; N178-N181 PolarHBondContact O-ND2 2.92Å; N178-N181 VanDerWaalsContact O-ND2 3.1Å; E179-N181 PolarHBondContact O-N 2.96Å; N181-K183 PolarHBondContact O-N 3.06Å
182L95.1Very high93.7Very high7 Ų750.1 Ų50.14%0.03726%0.257CS..  trans-66.1128.3170.5-16665.6000110.1D131 M153 V160 P166 W169 P184D131-L182 HydrophobicContact CB-CD2 4.02Å; D131-L182 WeakPolarHBondContact OD2-CD2 3.39Å; M153-L182 HydrophobicContact CB-CD1 3.57Å; M153-L182 HydrophobicContact CE-CD1 4.47Å; M153-L182 HydrophobicContact CE-CD2 4.45Å; V160-L182 HydrophobicContact CG1-CD1 4.05Å; V160-L182 HydrophobicContact CG1-CD2 4.09Å; V160-L182 HydrophobicContact CG1-CG 4.26Å; V160-L182 HydrophobicContact CG2-CD1 4.29Å; P166-L182 HydrophobicContact CB-CD2 4.39Å; W169-L182 WeakPolarHBondContact CZ2-O 3.28Å; W169-L182 PolarHBondContact NE1-O 3.36Å; L182-P184 VanDerWaalsContact O-CD 3.25Å; L182-P184 WeakPolarHBondContact O-CD 3.31Å
183K96.6Very high93.8Very high144 Ų14447 Ų4763%0.62624%0.243SC*.  trans-114.678.2176.9-65.2175.4-175.3173.20109.3N181N181-K183 PolarHBondContact O-N 3.06Å
184P98Very high93.9Very high5 Ų542.4 Ų42.43%0.03222%0.219CC..  trans-65.5143.3-176.426.2-32000111.1V160 P166 L182 F200V160-P184 HydrophobicContact CG1-CB 4.36Å; V160-P184 CarbonylContact O-C 3.56Å; V160-P184 WeakPolarHBondContact O-CA 3.06Å; V160-P184 WeakPolarHBondContact O-CB 3.48Å; P166-P184 HydrophobicContact CB-CG 3.92Å; P166-P184 HydrophobicContact CG-CG 3.7Å; L182-P184 VanDerWaalsContact O-CD 3.25Å; L182-P184 WeakPolarHBondContact O-CD 3.31Å; P184-F200 HydrophobicContact CB-CE2 4.43Å; P184-F200 HydrophobicContact CG-CD2 4.2Å; P184-F200 HydrophobicContact CG-CE2 4.06Å; P184-F200 VanDerWaalsContact O-CE2 3.25Å; P184-F200 WeakPolarHBondContact O-CE2 3.47Å
185D98.3Very high94Very high27 Ų2744 Ų4414%0.14423%0.228CC..SBendtrans-80.6-27.7172.8-177.755000111.6Y45 P159 V160 G202 R203 Y204Y45-D185 WeakPolarHBondContact CE1-OD2 3.22Å; Y45-D185 PolarHBondContact OH-OD2 3.22Å; P159-D185 HydrophobicContact CB-CB 4.13Å; V160-D185 PolarHBondContact O-N 2.92Å; D185-G202 CarbonylContact O-C 3.56Å; D185-R203 VanDerWaalsContact CG-NE 3.3Å; D185-R203 VanDerWaalsContact CG-NH2 3.31Å; D185-R203 PolarHBondContact O-N 3.39Å; D185-R203 WeakPolarHBondContact OD1-CG 3.39Å; D185-R203 IonicContact OD1-CZ 3.67Å; D185-R203 IonicContact OD1-NE 3.19Å; D185-R203 PolarHBondContact OD1-NE 2.96Å; D185-R203 IonicContact OD1-NH2 2.59Å; D185-R203 PolarHBondContact OD1-NH2 3.38Å; D185-R203 IonicContact OD2-CZ 3.46Å; D185-R203 VanDerWaalsContact OD2-CZ 3.27Å; D185-R203 IonicContact OD2-NE 2.7Å; D185-R203 PolarHBondContact OD2-NE 3.08Å; D185-R203 VanDerWaalsContact OD2-NE 3.14Å; D185-R203 IonicContact OD2-NH2 3.45Å; D185-R203 PolarHBondContact OD2-NH2 2.88Å; D185-Y204 PolarHBondContact O-N 3.48Å; D185-Y204 VanDerWaalsContact O-N 3.11Å
186C98.6Very high94.1Very high0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-130.5134.7174-177.80000111.1Y45 V160 I161 S162 Y204Y45-C186 HydrophobicContact CE2-CB 3.98Å; Y45-C186 WeakPolarHBondContact OH-CB 3.36Å; V160-C186 PolarHBondContact O-N 3.29Å; I161-C186 CarbonylContact C-O 3.47Å; I161-C186 WeakPolarHBondContact CA-O 3.39Å; I161-C186 HydrophobicContact CB-CB 4.21Å; I161-C186 HydrophobicContact CG1-CB 3.83Å; I161-C186 HydrophobicContact CG2-CB 3.94Å; S162-C186 PolarHBondContact N-O 2.96Å; C186-Y204 CarbonylContact C-O 3.57Å; C186-Y204 WeakPolarHBondContact CA-O 3.38Å; C186-Y204 HydrophobicContact CB-CD2 4.44Å
187L98.7Very high94.5Very high1 Ų138.1 Ų38.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-115.7129.1169.7178.460.9000109.2P166 A197 F200 Y204 H205 F206P166-L187 HydrophobicContact CG-CD1 4.16Å; L187-A197 HydrophobicContact CD2-CB 3.62Å; L187-F200 HydrophobicContact CB-CD1 4.41Å; L187-F200 HydrophobicContact CB-CD2 3.7Å; L187-F200 HydrophobicContact CB-CE1 4.35Å; L187-F200 HydrophobicContact CB-CE2 3.61Å; L187-F200 HydrophobicContact CB-CG 4.1Å; L187-F200 HydrophobicContact CB-CZ 3.95Å; L187-F200 HydrophobicContact CD2-CB 4.08Å; L187-F200 HydrophobicContact CD2-CD2 4.19Å; L187-F200 HydrophobicContact CD2-CG 4.11Å; L187-Y204 PolarHBondContact N-O 3.19Å; L187-H205 WeakPolarHBondContact O-CA 3.32Å; L187-H205 PolarHBondContact O-CD2 2.66Å; L187-F206 PolarHBondContact O-N 2.77Å
188I98.5Very high94.9Very high0 Ų042.6 Ų42.60%021%0.208CC..EExtended strand (participates in β ladder)trans-114.495.1176.5-55.6168.6000108.1C37 A40 I41 I161 S162 D164 L190 F206 A208C37-I188 HydrophobicContact CB-CD1 4.22Å; A40-I188 HydrophobicContact CB-CD1 3.86Å; A40-I188 HydrophobicContact CB-CG1 4.08Å; A40-I188 HydrophobicContact CB-CG2 4.38Å; I41-I188 HydrophobicContact CD1-CD1 4.29Å; I41-I188 HydrophobicContact CG1-CD1 3.85Å; I161-I188 HydrophobicContact CG2-CD1 3.56Å; I161-I188 HydrophobicContact CG2-CG1 4.08Å; S162-I188 PolarHBondContact O-N 2.99Å; D164-I188 VanDerWaalsContact CA-O 3.23Å; D164-I188 WeakPolarHBondContact CA-O 3.48Å; D164-I188 PolarHBondContact N-O 3.3Å; I188-L190 HydrophobicContact CG2-CD2 4.49Å; I188-F206 HydrophobicContact CG1-CB 4.48Å; I188-A208 HydrophobicContact CG2-CB 3.66Å
189S98.1Very high95.7Very high0 Ų040.8 Ų40.80%019%0.194CC..EExtended strand (participates in β ladder)trans-73.1130.4176.3-66.20000110.8P193 H205 F206 A208S189-P193 WeakPolarHBondContact OG-CA 3.08Å; S189-H205 PolarHBondContact OG-NE2 3.19Å; S189-F206 PolarHBondContact N-O 3.29Å; S189-A208 PolarHBondContact O-N 2.95Å
190L96.9Very high96.4Very high15 Ų1534.8 Ų34.88%0.07917%0.165CC..EExtended strand (participates in β ladder)trans-94.6136.4176.4-58.9-179.9000110.6A33 I163 D164 I188 A192 K194 A208A33-L190 HydrophobicContact CB-CD1 3.99Å; A33-L190 HydrophobicContact CB-CD2 4.06Å; I163-L190 HydrophobicContact CG2-CD1 3.87Å; I163-L190 HydrophobicContact CG2-CG 4.33Å; D164-L190 HydrophobicContact CB-CD1 4.1Å; D164-L190 HydrophobicContact CB-CG 4.14Å; D164-L190 PolarHBondContact OD1-N 2.75Å; I188-L190 HydrophobicContact CG2-CD2 4.49Å; L190-A192 PolarHBondContact O-N 3.22Å; L190-K194 PolarHBondContact O-NZ 3.31Å; L190-A208 HydrophobicContact CD2-CB 3.92Å
191T94.4Very high96.9Very high45 Ų4538.6 Ų38.628%0.27618%0.179SC..SBendtrans66.9-62.6-179.3-50.50000113.1V14 A208V14-T191 HydrophobicContact CG1-CG2 3.88Å; T191-A208 PolarHBondContact N-O 3.38Å
192A95.1Very high97.2Very high13 Ų1338.9 Ų38.911%0.10719%0.187CC..SBendtrans-150.1152.3172.900000109.6L6 L190 K194L6-A192 HydrophobicContact CD1-CB 3.7Å; L6-A192 HydrophobicContact CG-CB 3.82Å; L190-A192 PolarHBondContact O-N 3.22Å; A192-K194 PolarHBondContact O-N 3.27Å; A192-K194 PolarHBondContact O-NZ 2.8Å
193P96.7Very high97.3Very high4 Ų446 Ų463%0.02621%0.213CC..  trans-62139.3174.127.8-33000110.9V3 S4 Y5 L6 S189 A197V3-P193 VanDerWaalsContact CG1-CD 3.42Å; V3-P193 HydrophobicContact CG1-CG 3.46Å; V3-P193 VanDerWaalsContact CG1-CG 3.46Å; S4-P193 WeakPolarHBondContact O-CD 3.43Å; S4-P193 WeakPolarHBondContact O-CG 3.38Å; Y5-P193 CarbonylContact C-O 3.51Å; Y5-P193 VanDerWaalsContact CA-O 3.27Å; Y5-P193 WeakPolarHBondContact CA-O 3.27Å; Y5-P193 HydrophobicContact CD1-CB 3.88Å; Y5-P193 HydrophobicContact CD1-CG 4.09Å; Y5-P193 HydrophobicContact CD2-CG 4.18Å; Y5-P193 HydrophobicContact CE1-CB 3.87Å; Y5-P193 HydrophobicContact CE1-CG 4.16Å; Y5-P193 HydrophobicContact CE2-CG 4.24Å; Y5-P193 HydrophobicContact CG-CB 4.37Å; Y5-P193 HydrophobicContact CG-CG 4.1Å; L6-P193 PolarHBondContact N-O 3.37Å; S189-P193 WeakPolarHBondContact OG-CA 3.08Å; P193-A197 HydrophobicContact CB-CB 4.11Å
194K97.5Very high97.4Very high7 Ų742.7 Ų42.73%0.0320%0.197CC..BIsolated β-bridgetrans-81.4155.5169.2-91.857.567.1176.80109.8Y5 L6 A11 F136 D164 V165 V171 L190 A192 C196 A197Y5-K194 WeakPolarHBondContact CD1-O 3.48Å; L6-K194 CarbonylContact O-C 3.51Å; L6-K194 WeakPolarHBondContact O-CA 3.33Å; A11-K194 HydrophobicContact CB-CD 3.93Å; A11-K194 HydrophobicContact CB-CG 4.39Å; F136-K194 HydrophobicContact CB-CD 4.01Å; F136-K194 HydrophobicContact CB-CG 3.86Å; D164-K194 WeakPolarHBondContact OD1-CE 2.95Å; D164-K194 IonicContact OD1-NZ 2.76Å; D164-K194 PolarHBondContact OD1-NZ 2.93Å; D164-K194 WeakPolarHBondContact OD2-CE 3.31Å; D164-K194 IonicContact OD2-NZ 3.92Å; V165-K194 HydrophobicContact CG2-CB 3.99Å; V165-K194 HydrophobicContact CG2-CG 4.19Å; V171-K194 HydrophobicContact CG1-CB 3.96Å; V171-K194 HydrophobicContact CG1-CG 3.57Å; L190-K194 PolarHBondContact O-NZ 3.31Å; A192-K194 PolarHBondContact O-N 3.27Å; A192-K194 PolarHBondContact O-NZ 2.8Å; K194-C196 PolarHBondContact O-N 3.09Å; K194-C196 VanDerWaalsContact O-N 3.11Å; K194-A197 WeakPolarHBondContact O-CB 3.46Å; K194-A197 PolarHBondContact O-N 3.35Å
195L97.6Very high97.4Very high34 Ų3446 Ų4618%0.17821%0.212CC..G310 helixtrans-51.7-36.1-176.8-84.3175.2000113.6L6 E172 A197 R198L6-L195 PolarHBondContact O-N 2.9Å; E172-L195 HydrophobicContact CB-CB 4.11Å; E172-L195 HydrophobicContact CB-CD1 4.12Å; E172-L195 HydrophobicContact CG-CB 4.31Å; E172-L195 HydrophobicContact CG-CD1 4.03Å; E172-L195 CarbonylContact O-C 3.56Å; L195-A197 PolarHBondContact O-N 3.27Å; L195-A197 VanDerWaalsContact O-N 3.12Å; L195-R198 WeakPolarHBondContact O-CB 3.3Å; L195-R198 WeakPolarHBondContact O-CG 3.43Å; L195-R198 PolarHBondContact O-N 3.45Å; L195-R198 VanDerWaalsContact O-N 3.1Å
196C97.1Very high97.3Very high0 Ų046.8 Ų46.80%021%0.214CC..G310 helixtrans-58.8-24.4175.966.90000114.2W169 N170 V171 E172 K194 R198 F199W169-C196 HydrophobicContact CE3-CB 4.21Å; W169-C196 WeakPolarHBondContact CZ3-O 3.4Å; N170-C196 WeakPolarHBondContact O-CB 3.48Å; V171-C196 WeakPolarHBondContact O-CB 3.37Å; V171-C196 PolarHBondContact O-N 3.21Å; V171-C196 PolarHBondContact O-SG 3.4Å; E172-C196 PolarHBondContact O-N 2.91Å; K194-C196 PolarHBondContact O-N 3.09Å; K194-C196 VanDerWaalsContact O-N 3.11Å; C196-R198 PolarHBondContact O-N 3.31Å; C196-R198 VanDerWaalsContact O-N 3.11Å; C196-F199 WeakPolarHBondContact O-CB 3.49Å; C196-F199 WeakPolarHBondContact O-CD2 3.07Å; C196-F199 PolarHBondContact O-N 2.98Å
197A97.8Very high97.2Very high5 Ų549.3 Ų49.34%0.04123%0.227CC..G310 helixtrans-63.6-16.6178.400000112.4Y5 L187 P193 K194 L195 F199 F200Y5-A197 HydrophobicContact CD1-CB 4.22Å; Y5-A197 HydrophobicContact CE1-CB 3.79Å; L187-A197 HydrophobicContact CD2-CB 3.62Å; P193-A197 HydrophobicContact CB-CB 4.11Å; K194-A197 WeakPolarHBondContact O-CB 3.46Å; K194-A197 PolarHBondContact O-N 3.35Å; L195-A197 PolarHBondContact O-N 3.27Å; L195-A197 VanDerWaalsContact O-N 3.12Å; A197-F199 PolarHBondContact O-N 2.97Å; A197-F200 WeakPolarHBondContact O-CB 3.5Å; A197-F200 PolarHBondContact O-N 2.87Å
198R97.1Very high96.8Very high163 Ų16349.6 Ų49.662%0.61523%0.23SC*.G310 helixtrans-64.7-21.4171.3-65.7-178.2177.6176.41.4113.5Y5 L195 C196Y5-R198 HydrophobicContact CD1-CG 3.6Å; Y5-R198 HydrophobicContact CE1-CG 3.6Å; Y5-R198 HydrophobicContact CG-CG 4.18Å; L195-R198 WeakPolarHBondContact O-CB 3.3Å; L195-R198 WeakPolarHBondContact O-CG 3.43Å; L195-R198 PolarHBondContact O-N 3.45Å; L195-R198 VanDerWaalsContact O-N 3.1Å; C196-R198 PolarHBondContact O-N 3.31Å; C196-R198 VanDerWaalsContact O-N 3.11Å
199F97Very high95.9Very high100 Ų10051 Ų5144%0.43924%0.24SC..G310 helixtrans-93.1-0.2178.5-59.1-93.8000112.3W169 I173 C196 A197W169-F199 HydrophobicContact CH2-CB 4.19Å; W169-F199 HydrophobicContact CZ3-CB 3.79Å; I173-F199 VanDerWaalsContact C-CE2 3.44Å; I173-F199 WeakPolarHBondContact O-CE2 3.19Å; I173-F199 VanDerWaalsContact O-CZ 3.29Å; I173-F199 WeakPolarHBondContact O-CZ 3.42Å; C196-F199 WeakPolarHBondContact O-CB 3.49Å; C196-F199 WeakPolarHBondContact O-CD2 3.07Å; C196-F199 PolarHBondContact O-N 2.98Å; A197-F199 PolarHBondContact O-N 2.97Å
200F97.3Very high94.9Very high30 Ų3056 Ų5613%0.13226%0.263CS..  trans-68.3133.7179.1177.1-107.8000111.4P184 L187 A197 G202 Y204 H205P184-F200 HydrophobicContact CB-CE2 4.43Å; P184-F200 HydrophobicContact CG-CD2 4.2Å; P184-F200 HydrophobicContact CG-CE2 4.06Å; P184-F200 VanDerWaalsContact O-CE2 3.25Å; P184-F200 WeakPolarHBondContact O-CE2 3.47Å; L187-F200 HydrophobicContact CB-CD1 4.41Å; L187-F200 HydrophobicContact CB-CD2 3.7Å; L187-F200 HydrophobicContact CB-CE1 4.35Å; L187-F200 HydrophobicContact CB-CE2 3.61Å; L187-F200 HydrophobicContact CB-CG 4.1Å; L187-F200 HydrophobicContact CB-CZ 3.95Å; L187-F200 HydrophobicContact CD2-CB 4.08Å; L187-F200 HydrophobicContact CD2-CD2 4.19Å; L187-F200 HydrophobicContact CD2-CG 4.11Å; A197-F200 WeakPolarHBondContact O-CB 3.5Å; A197-F200 PolarHBondContact O-N 2.87Å; F200-G202 WeakPolarHBondContact CE1-O 3.45Å; F200-Y204 WeakPolarHBondContact CE1-O 3.18Å; F200-Y204 WeakPolarHBondContact CZ-O 3.5Å; F200-H205 HydrophobicContact CD1-CB 4.05Å; F200-H205 HydrophobicContact CE1-CB 3.88Å
201Q96.6Very high93.3Very high191 Ų19159.5 Ų59.589%0.89328%0.281SS*.  trans-125.55.9-178-64.4-178.9-14.300113.2
202G97.4Very high91.5Very high25 Ų2569.7 Ų69.726%0.25832%0.322SS..SBendtrans-74.3176.2179.200000113D185 F200D185-G202 CarbonylContact O-C 3.56Å; F200-G202 WeakPolarHBondContact CE1-O 3.45Å
203R97.9Very high91.3Very high158 Ų15872.5 Ų72.560%0.59633%0.333SS*.SBendtrans-73.5-31.2-175.9-67.9-178.1-67.7-176.5-3.3113.5D185D185-R203 VanDerWaalsContact CG-NE 3.3Å; D185-R203 VanDerWaalsContact CG-NH2 3.31Å; D185-R203 PolarHBondContact O-N 3.39Å; D185-R203 WeakPolarHBondContact OD1-CG 3.39Å; D185-R203 IonicContact OD1-CZ 3.67Å; D185-R203 IonicContact OD1-NE 3.19Å; D185-R203 PolarHBondContact OD1-NE 2.96Å; D185-R203 IonicContact OD1-NH2 2.59Å; D185-R203 PolarHBondContact OD1-NH2 3.38Å; D185-R203 IonicContact OD2-CZ 3.46Å; D185-R203 VanDerWaalsContact OD2-CZ 3.27Å; D185-R203 IonicContact OD2-NE 2.7Å; D185-R203 PolarHBondContact OD2-NE 3.08Å; D185-R203 VanDerWaalsContact OD2-NE 3.14Å; D185-R203 IonicContact OD2-NH2 3.45Å; D185-R203 PolarHBondContact OD2-NH2 2.88Å
204Y98.3Very high91Very high73 Ų7376.1 Ų76.129%0.28635%0.349SS..EExtended strand (participates in β ladder)trans-128.1121.6-169.2-55.2-69.2000112.2A44 Y45 D185 C186 L187 F200 F206A44-Y204 HydrophobicContact CB-CD1 4.28Å; A44-Y204 HydrophobicContact CB-CD2 3.94Å; A44-Y204 HydrophobicContact CB-CE2 4.2Å; A44-Y204 HydrophobicContact CB-CG 3.99Å; Y45-Y204 HydrophobicContact CE1-CD2 4.44Å; Y45-Y204 HydrophobicContact CE1-CE2 4.09Å; Y45-Y204 HydrophobicContact CE2-CD2 4.44Å; Y45-Y204 AromaticContact CZ-CD2 3.94Å; D185-Y204 PolarHBondContact O-N 3.48Å; D185-Y204 VanDerWaalsContact O-N 3.11Å; C186-Y204 CarbonylContact C-O 3.57Å; C186-Y204 WeakPolarHBondContact CA-O 3.38Å; C186-Y204 HydrophobicContact CB-CD2 4.44Å; L187-Y204 PolarHBondContact N-O 3.19Å; F200-Y204 WeakPolarHBondContact CE1-O 3.18Å; F200-Y204 WeakPolarHBondContact CZ-O 3.5Å; Y204-F206 HydrophobicContact CD1-CE2 4.46Å; Y204-F206 HydrophobicContact CG-CE2 4.36Å
205H98.1Very high90.7Very high75 Ų7579.9 Ų79.935%0.34737%0.366SS..EExtended strand (participates in β ladder)trans-120.9111.8168.8-173.2-166.6000109.3L187 S189 F200L187-H205 WeakPolarHBondContact O-CA 3.32Å; L187-H205 PolarHBondContact O-CD2 2.66Å; S189-H205 PolarHBondContact OG-NE2 3.19Å; F200-H205 HydrophobicContact CD1-CB 4.05Å; F200-H205 HydrophobicContact CE1-CB 3.88Å
206F97.5Very high90.2Very high43 Ų4382.6 Ų82.619%0.18938%0.378CS..EExtended strand (participates in β ladder)trans-104.7146.2175.8-69.8-82.8000110.9A40 K43 A44 L187 I188 S189 Y204A40-F206 HydrophobicContact CB-CB 3.95Å; A40-F206 HydrophobicContact CB-CD1 4.28Å; A40-F206 HydrophobicContact CB-CD2 3.93Å; A40-F206 HydrophobicContact CB-CG 3.78Å; K43-F206 HydrophobicContact CB-CZ 4.46Å; K43-F206 HydrophobicContact CD-CE1 3.84Å; K43-F206 HydrophobicContact CD-CZ 4.22Å; K43-F206 HydrophobicContact CG-CE1 4.4Å; K43-F206 HydrophobicContact CG-CZ 4.29Å; A44-F206 HydrophobicContact CB-CE2 3.91Å; A44-F206 HydrophobicContact CB-CZ 4.37Å; L187-F206 PolarHBondContact O-N 2.77Å; I188-F206 HydrophobicContact CG1-CB 4.48Å; S189-F206 PolarHBondContact N-O 3.29Å; Y204-F206 HydrophobicContact CD1-CE2 4.46Å; Y204-F206 HydrophobicContact CG-CE2 4.36Å
207L95.9Very high89.8Confident53 Ų5387.8 Ų87.828%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-107.3120.1165.7179.255.2000108.3V3 Q210V3-L207 HydrophobicContact CG1-CD2 4.16Å; L207-Q210 HydrophobicContact CD1-CG 4.41Å; L207-Q210 HydrophobicContact CD2-CG 3.79Å; L207-Q210 HydrophobicContact CG-CG 3.67Å; L207-Q210 VanDerWaalsContact CG-NE2 3.3Å
208A89.4Confident89.3Confident8 Ų893.3 Ų93.37%0.06643%0.425CS..EExtended strand (participates in β ladder)trans-115.6157.1-175.600000110.9I188 S189 L190 T191 Q210I188-A208 HydrophobicContact CG2-CB 3.66Å; S189-A208 PolarHBondContact O-N 2.95Å; L190-A208 HydrophobicContact CD2-CB 3.92Å; T191-A208 PolarHBondContact N-O 3.38Å; A208-Q210 VanDerWaalsContact C-N 3.32Å; A208-Q210 PolarHBondContact O-N 3.17Å
209S81.1Confident88.7Confident29 Ų2988.4 Ų88.420%0.20341%0.412CS..SBendtrans52.943.1177.1-57.30000114.7L32 A33 S36 L211L32-S209 PolarHBondContact O-OG 3.22Å; A33-S209 VanDerWaalsContact CA-OG 3.28Å; A33-S209 WeakPolarHBondContact CA-OG 3.4Å; A33-S209 PolarHBondContact N-OG 3.29Å; S36-S209 PolarHBondContact OG-OG 3.06Å; S209-L211 PolarHBondContact O-N 2.48Å
210Q75.9Confident88.1Confident106 Ų10687.5 Ų87.550%0.49541%0.409SS..  trans-67.2119.8172.7-65.7178.527.700109.5L207 A208L207-Q210 HydrophobicContact CD1-CG 4.41Å; L207-Q210 HydrophobicContact CD2-CG 3.79Å; L207-Q210 HydrophobicContact CG-CG 3.67Å; L207-Q210 VanDerWaalsContact CG-NE2 3.3Å; A208-Q210 VanDerWaalsContact C-N 3.32Å; A208-Q210 PolarHBondContact O-N 3.17Å
211L63.2Low87.3Confident87 Ų8792.3 Ų92.346%0.45543%0.433SS..  trans-86.6115.9163.3-62.8170.6000106.3L18 S209L18-L211 HydrophobicContact CD1-CD1 3.71Å; L18-L211 HydrophobicContact CD2-CD1 3.21Å; L18-L211 HydrophobicContact CG-CD1 4.11Å; S209-L211 PolarHBondContact O-N 2.48Å
212K56.5Low86.5Confident259 Ų25983.3 Ų83.3100%1.12639%0.391SS*.  trans-90.20175.6-76-172.9179.1179.70110.7

Retrieved 212 of 212 residues in 118.6 ms (Link to these results)

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