A0A077Z7D0_TRITR Loading...

Late endosomal/lysosomal adaptor and MAPK and MTOR activator 4

AlphaFold DB , UniProt , Accession A0A077Z7D0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 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
1M37.1Very low58.4Low245 Ų245113.1 Ų113.1100%1.20763%0.627SS**  01030-72.5178.7171.700107.8S3M1-S3 PolarHBondContact O-N 3.37Å
2Y38.7Very low61.3Low241 Ų241113.7 Ų113.795%0.94561%0.614SS**  trans-74.1111.1173.5-72.8-79.5000108S4Y2-S4 PolarHBondContact O-N 3.38Å
3S45Very low63.9Low106 Ų106105.8 Ų105.874%0.74157%0.572SS**  trans-63.8101.3169.6178.20000107.7M1 Q5M1-S3 PolarHBondContact O-N 3.37Å; S3-Q5 VanDerWaalsContact C-N 3.3Å; S3-Q5 PolarHBondContact O-N 3.26Å
4S47.4Very low66Low105 Ų105102.5 Ų102.573%0.73457%0.566SS**  trans-57.692168171.30000108.6Y2 N6Y2-S4 PolarHBondContact O-N 3.38Å; S4-N6 PolarHBondContact O-N 3.11Å
5Q52.4Low67.8Low107 Ų107107.3 Ų107.350%0.558%0.579SS.*  trans-69.4121.9164-72.7-163.4100107S3S3-Q5 VanDerWaalsContact C-N 3.3Å; S3-Q5 PolarHBondContact O-N 3.26Å
6N51.4Low69.6Low104 Ų104103.4 Ų103.456%0.55656%0.56SS**  trans-38.9116.1-175.2-167.1-8.5000112.3S4 T8 S9S4-N6 PolarHBondContact O-N 3.11Å; N6-T8 PolarHBondContact O-N 2.9Å; N6-T8 PolarHBondContact OD1-N 3.27Å; N6-T8 PolarHBondContact OD1-OG1 3.16Å; N6-T8 VanDerWaalsContact OD1-OG1 3.11Å; N6-S9 WeakPolarHBondContact O-CB 3.5Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 PolarHBondContact O-OG 3.18Å
7P51.4Low71.1Confident115 Ų115103.4 Ų103.475%0.74757%0.566SS**G310 helixtrans-62-15.1-175.322.3-32.2000113.3S9P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 3.12Å
8T59Low72.4Confident100 Ų100103.7 Ų103.761%0.61357%0.567SS**G310 helixtrans-74-16.2175.9-32.20000113.6N6 F10 A11N6-T8 PolarHBondContact O-N 2.9Å; N6-T8 PolarHBondContact OD1-N 3.27Å; N6-T8 PolarHBondContact OD1-OG1 3.16Å; N6-T8 VanDerWaalsContact OD1-OG1 3.11Å; T8-F10 VanDerWaalsContact C-N 3.29Å; T8-F10 PolarHBondContact O-N 2.96Å; T8-A11 PolarHBondContact O-N 3.22Å
9S82.4Confident73.6Confident51 Ų51100.5 Ų100.536%0.35755%0.548SS..G310 helixtrans-63.8-27.8-166.954.70000114.7N6 P7 Y12N6-S9 WeakPolarHBondContact O-CB 3.5Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 PolarHBondContact O-OG 3.18Å; P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 3.12Å; S9-Y12 WeakPolarHBondContact O-CD1 3.25Å; S9-Y12 WeakPolarHBondContact O-CE1 3.36Å
10F91Very high74.8Confident20 Ų2098.3 Ų98.39%0.08854%0.535CS..G310 helixtrans-113.49.5-175.4-52.6-62.1000114.4T8 Y12 L13 V24 A33 K85 F87T8-F10 VanDerWaalsContact C-N 3.29Å; T8-F10 PolarHBondContact O-N 2.96Å; F10-Y12 HydrophobicContact CD1-CE1 4.29Å; F10-Y12 PolarHBondContact O-N 2.85Å; F10-L13 HydrophobicContact CB-CD1 4.06Å; F10-L13 WeakPolarHBondContact O-CB 3.44Å; F10-L13 PolarHBondContact O-N 3.43Å; F10-V24 HydrophobicContact CB-CG2 4.35Å; F10-V24 HydrophobicContact CD1-CG1 4.44Å; F10-V24 HydrophobicContact CD1-CG2 4.06Å; F10-V24 HydrophobicContact CD2-CG2 4.24Å; F10-V24 HydrophobicContact CE1-CG1 4.01Å; F10-V24 HydrophobicContact CE1-CG2 4.44Å; F10-V24 HydrophobicContact CE2-CG1 4.27Å; F10-V24 HydrophobicContact CG-CG2 3.95Å; F10-V24 HydrophobicContact CZ-CG1 3.91Å; F10-A33 HydrophobicContact CB-CB 4.5Å; F10-A33 HydrophobicContact CD2-CB 3.53Å; F10-A33 HydrophobicContact CE2-CB 4.14Å; F10-A33 HydrophobicContact CG-CB 4.32Å; F10-K85 HydrophobicContact CE1-CD 4.34Å; F10-K85 HydrophobicContact CZ-CD 4.14Å; F10-F87 AromaticContact CD1-CE1 3.94Å; F10-F87 HydrophobicContact CD1-CE1 3.94Å; F10-F87 AromaticContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CZ 4.33Å
11A87Confident75.9Confident50 Ų5093.6 Ų93.641%0.41351%0.51SS..G310 helixtrans-59-22.3-177.500000113.5T8 L13 A14T8-A11 PolarHBondContact O-N 3.22Å; A11-L13 PolarHBondContact O-N 3Å; A11-A14 WeakPolarHBondContact O-CB 3.4Å; A11-A14 PolarHBondContact O-N 3.5Å
12Y93.1Very high78.8Confident120 Ų12083.3 Ų83.347%0.47146%0.458SS..G310 helixtrans-64.4-24.417566.2-95.3000113.2S9 F10 A14 K15 F87S9-Y12 WeakPolarHBondContact O-CD1 3.25Å; S9-Y12 WeakPolarHBondContact O-CE1 3.36Å; F10-Y12 HydrophobicContact CD1-CE1 4.29Å; F10-Y12 PolarHBondContact O-N 2.85Å; Y12-A14 VanDerWaalsContact C-N 3.26Å; Y12-A14 PolarHBondContact O-N 2.82Å; Y12-K15 WeakPolarHBondContact O-CB 3.43Å; Y12-K15 PolarHBondContact O-N 3.01Å; Y12-K15 VanDerWaalsContact O-N 3.08Å; Y12-F87 VanDerWaalsContact OH-CE1 3.25Å; Y12-F87 WeakPolarHBondContact OH-CE1 3.13Å
13L95.5Very high81.6Confident11 Ų1171.8 Ų71.86%0.05841%0.413CS..G310 helixtrans-66.5-29.1177.2-65.1175.8000112.3F10 A11 K15 V16 Y22 V24 F87 V89F10-L13 HydrophobicContact CB-CD1 4.06Å; F10-L13 WeakPolarHBondContact O-CB 3.44Å; F10-L13 PolarHBondContact O-N 3.43Å; A11-L13 PolarHBondContact O-N 3Å; L13-K15 PolarHBondContact O-N 3.39Å; L13-V16 WeakPolarHBondContact O-CG2 3.45Å; L13-V16 PolarHBondContact O-N 3Å; L13-Y22 HydrophobicContact CB-CD1 3.69Å; L13-Y22 HydrophobicContact CB-CD2 4.2Å; L13-Y22 HydrophobicContact CB-CE1 4Å; L13-Y22 HydrophobicContact CB-CE2 4.47Å; L13-Y22 HydrophobicContact CB-CG 3.82Å; L13-Y22 HydrophobicContact CD1-CD2 3.59Å; L13-Y22 HydrophobicContact CD1-CE2 4.03Å; L13-Y22 HydrophobicContact CD1-CG 3.92Å; L13-V24 HydrophobicContact CD1-CG2 3.61Å; L13-F87 HydrophobicContact CD1-CD1 4.32Å; L13-V89 HydrophobicContact CD2-CG2 4.11Å
14A92.2Very high84.1Confident60 Ų6066.8 Ų66.850%0.49638%0.377SS..G310 helixtrans-69.5-14.3174.700000112.9A11 Y12 Y22A11-A14 WeakPolarHBondContact O-CB 3.4Å; A11-A14 PolarHBondContact O-N 3.5Å; Y12-A14 VanDerWaalsContact C-N 3.26Å; Y12-A14 PolarHBondContact O-N 2.82Å; A14-Y22 HydrophobicContact CB-CE1 4.38Å
15K94.2Very high86.5Confident174 Ų17461.8 Ų61.876%0.75734%0.342SS*.G310 helixtrans-90.2-0.1178.2-56.7-174.8-175.1-176.80113Y12 L13 P17Y12-K15 WeakPolarHBondContact O-CB 3.43Å; Y12-K15 PolarHBondContact O-N 3.01Å; Y12-K15 VanDerWaalsContact O-N 3.08Å; L13-K15 PolarHBondContact O-N 3.39Å; K15-P17 WeakPolarHBondContact O-CD 3.14Å
16V95.1Very high88.5Confident46 Ų4658.4 Ų58.428%0.27933%0.328SS..SBendtrans-68.1126177.1176.20000109L13 Q19 V89 I91L13-V16 WeakPolarHBondContact O-CG2 3.45Å; L13-V16 PolarHBondContact O-N 3Å; V16-Q19 HydrophobicContact CB-CB 3.98Å; V16-Q19 HydrophobicContact CB-CG 4.49Å; V16-Q19 HydrophobicContact CG1-CB 4.31Å; V16-Q19 WeakPolarHBondContact O-CB 3.3Å; V16-Q19 PolarHBondContact O-N 3.16Å; V16-V89 HydrophobicContact CB-CG1 4.37Å; V16-V89 HydrophobicContact CG1-CG1 4.18Å; V16-I91 HydrophobicContact CG1-CD1 3.97Å; V16-I91 HydrophobicContact CG1-CG1 4.36Å
17P95.4Very high90.5Very high103 Ų10358.5 Ų58.567%0.66933%0.325SS*.THydrogen-bonded Turntrans-57.9140.2179.2-26.134.9000112.5K15 Q19K15-P17 WeakPolarHBondContact O-CD 3.14Å; P17-Q19 PolarHBondContact O-N 3.21Å; P17-Q19 VanDerWaalsContact O-N 3.12Å
18N95.5Very high92.5Very high109 Ų10959.3 Ų59.358%0.58332%0.323SS*.THydrogen-bonded Turntrans57.220.7-179.6-58-35.8000114.7I91 R92N18-I91 HydrophobicContact CB-CG2 4.09Å; N18-I91 WeakPolarHBondContact O-CA 3.25Å; N18-R92 HydrophobicContact CB-CB 4.26Å; N18-R92 PolarHBondContact O-N 3.1Å
19Q95.5Very high94.2Very high42 Ų4255.3 Ų55.320%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-68136.1176.1178.2-87.7-14.900110.7V16 P17 G21 V89 K90V16-Q19 HydrophobicContact CB-CB 3.98Å; V16-Q19 HydrophobicContact CB-CG 4.49Å; V16-Q19 HydrophobicContact CG1-CB 4.31Å; V16-Q19 WeakPolarHBondContact O-CB 3.3Å; V16-Q19 PolarHBondContact O-N 3.16Å; P17-Q19 PolarHBondContact O-N 3.21Å; P17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-G21 PolarHBondContact NE2-O 3.19Å; Q19-V89 HydrophobicContact CB-CG1 4.06Å; Q19-V89 HydrophobicContact CG-CG1 3.41Å; Q19-V89 VanDerWaalsContact CG-CG1 3.41Å; Q19-K90 WeakPolarHBondContact CA-O 3.2Å
20L97.6Very high94.9Very high57 Ų5755.3 Ų55.330%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-110.9-27.8179.6-59.5177.6000112.1G36 D37 F75 K90 R92L20-G36 WeakPolarHBondContact O-CA 3.38Å; L20-D37 PolarHBondContact O-N 3.44Å; L20-F75 HydrophobicContact CD1-CB 4.2Å; L20-K90 HydrophobicContact CB-CB 4.29Å; L20-K90 HydrophobicContact CB-CD 4.13Å; L20-K90 HydrophobicContact CB-CG 4.17Å; L20-K90 HydrophobicContact CD1-CD 4.38Å; L20-K90 HydrophobicContact CD1-CG 4.33Å; L20-K90 PolarHBondContact N-O 2.86Å; L20-R92 HydrophobicContact CD1-CB 4.02Å; L20-R92 HydrophobicContact CD2-CB 4.29Å; L20-R92 HydrophobicContact CG-CB 4.23Å
21G97.5Very high95.1Very high0 Ų056.9 Ų56.90%031%0.313CS..EExtended strand (participates in β ladder)trans-170.9159.8179.300000111.1Q19 S35 K90Q19-G21 PolarHBondContact NE2-O 3.19Å; G21-S35 CarbonylContact C-O 3.48Å; G21-S35 WeakPolarHBondContact CA-O 3.49Å; G21-K90 PolarHBondContact O-N 2.6Å
22Y98.1Very high95.5Very high28 Ų2857.7 Ų57.711%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-141.2153.6172.368.6-104.2000111.9L13 A14 V24 A33 S34 S35 V88L13-Y22 HydrophobicContact CB-CD1 3.69Å; L13-Y22 HydrophobicContact CB-CD2 4.2Å; L13-Y22 HydrophobicContact CB-CE1 4Å; L13-Y22 HydrophobicContact CB-CE2 4.47Å; L13-Y22 HydrophobicContact CB-CG 3.82Å; L13-Y22 HydrophobicContact CD1-CD2 3.59Å; L13-Y22 HydrophobicContact CD1-CE2 4.03Å; L13-Y22 HydrophobicContact CD1-CG 3.92Å; A14-Y22 HydrophobicContact CB-CE1 4.38Å; Y22-V24 HydrophobicContact CD2-CG2 4.47Å; Y22-A33 HydrophobicContact CE2-CB 4.28Å; Y22-S34 CarbonylContact O-C 3.58Å; Y22-S34 VanDerWaalsContact O-CA 3.25Å; Y22-S34 WeakPolarHBondContact O-CA 3.4Å; Y22-S35 PolarHBondContact N-O 3.28Å; Y22-S35 PolarHBondContact O-N 2.83Å; Y22-V88 CarbonylContact C-O 3.58Å; Y22-V88 WeakPolarHBondContact CA-O 3.45Å; Y22-V88 VanDerWaalsContact CB-O 3.26Å; Y22-V88 WeakPolarHBondContact CB-O 3.47Å
23L97.1Very high95.6Very high0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-128.3144.1169.1-66.2165.9000109.2L25 I31 A33 L38 T44 A45 V88L23-L25 HydrophobicContact CB-CD2 4.34Å; L23-I31 HydrophobicContact CD2-CD1 4.14Å; L23-I31 HydrophobicContact CD2-CG1 4.44Å; L23-I31 HydrophobicContact CD2-CG2 4.29Å; L23-A33 CarbonylContact C-O 3.57Å; L23-A33 WeakPolarHBondContact CA-O 3.43Å; L23-L38 HydrophobicContact CD1-CB 4.14Å; L23-L38 HydrophobicContact CD1-CD1 4.13Å; L23-L38 HydrophobicContact CD2-CB 4.08Å; L23-L38 WeakPolarHBondContact CD2-O 3.48Å; L23-L38 HydrophobicContact CG-CB 3.71Å; L23-L38 HydrophobicContact CG-CD1 3.98Å; L23-L38 HydrophobicContact CG-CG 4.41Å; L23-T44 HydrophobicContact CD1-CG2 4.03Å; L23-A45 HydrophobicContact CD1-CB 4.28Å; L23-V88 HydrophobicContact CB-CB 4.05Å; L23-V88 HydrophobicContact CB-CG2 4.31Å; L23-V88 PolarHBondContact N-O 2.94Å; L23-V88 PolarHBondContact O-N 3.49Å
24V97.2Very high95.7Very high0 Ų053.4 Ų53.40%030%0.3CS..EExtended strand (participates in β ladder)trans-123.1121.6165.3-173.60000107.5F10 L13 Y22 L32 A33 K85 V86 F87F10-V24 HydrophobicContact CB-CG2 4.35Å; F10-V24 HydrophobicContact CD1-CG1 4.44Å; F10-V24 HydrophobicContact CD1-CG2 4.06Å; F10-V24 HydrophobicContact CD2-CG2 4.24Å; F10-V24 HydrophobicContact CE1-CG1 4.01Å; F10-V24 HydrophobicContact CE1-CG2 4.44Å; F10-V24 HydrophobicContact CE2-CG1 4.27Å; F10-V24 HydrophobicContact CG-CG2 3.95Å; F10-V24 HydrophobicContact CZ-CG1 3.91Å; L13-V24 HydrophobicContact CD1-CG2 3.61Å; Y22-V24 HydrophobicContact CD2-CG2 4.47Å; V24-L32 HydrophobicContact CB-CB 4.42Å; V24-L32 HydrophobicContact CG1-CB 4.34Å; V24-L32 HydrophobicContact CG1-CD1 4.3Å; V24-L32 WeakPolarHBondContact O-CB 3.38Å; V24-L32 PolarHBondContact O-N 3.29Å; V24-A33 HydrophobicContact CB-CB 4.19Å; V24-A33 HydrophobicContact CG2-CB 4.18Å; V24-A33 PolarHBondContact N-O 2.76Å; V24-A33 PolarHBondContact O-N 3.38Å; V24-K85 HydrophobicContact CG1-CB 4.33Å; V24-K85 HydrophobicContact CG1-CD 4.06Å; V24-V86 CarbonylContact C-O 3.59Å; V24-V86 WeakPolarHBondContact CA-O 3.35Å; V24-F87 HydrophobicContact CG1-CD1 4.17Å; V24-F87 HydrophobicContact CG1-CE1 3.99Å; V24-F87 HydrophobicContact CG2-CD1 4.01Å; V24-F87 HydrophobicContact CG2-CE1 4.29Å
25L97Very high95.9Very high0 Ų052.6 Ų52.60%029%0.291CS..EExtended strand (participates in β ladder)trans-109.4150.7178.5-44.4179.6000110.5L23 A30 I31 A45 H49 K85 V86L23-L25 HydrophobicContact CB-CD2 4.34Å; L25-A30 CarbonylContact C-O 3.57Å; L25-A30 VanDerWaalsContact CA-O 3.27Å; L25-A30 WeakPolarHBondContact CA-O 3.35Å; L25-I31 HydrophobicContact CD2-CB 4.34Å; L25-I31 HydrophobicContact CD2-CG1 3.71Å; L25-A45 HydrophobicContact CD1-CB 4.14Å; L25-A45 WeakPolarHBondContact CD1-O 3.19Å; L25-A45 HydrophobicContact CD2-CB 3.68Å; L25-H49 HydrophobicContact CD1-CB 4.24Å; L25-K85 CarbonylContact O-C 3.58Å; L25-K85 WeakPolarHBondContact O-CA 3.42Å; L25-K85 WeakPolarHBondContact O-CB 3.2Å; L25-V86 HydrophobicContact CB-CB 4.07Å; L25-V86 HydrophobicContact CB-CG2 4.41Å; L25-V86 HydrophobicContact CD1-CB 4.42Å; L25-V86 HydrophobicContact CG-CB 4.38Å; L25-V86 PolarHBondContact N-O 2.83Å; L25-V86 PolarHBondContact O-N 2.85Å
26N95.3Very high96Very high36 Ų3646.4 Ų46.419%0.19328%0.277CS..  trans-81.2-177.1164.976.9-11.1000111.3D28 G29 A30 L32N26-D28 PolarHBondContact ND2-OD2 3.07Å; N26-D28 VanDerWaalsContact ND2-OD2 3.12Å; N26-D28 PolarHBondContact O-N 3.01Å; N26-D28 WeakPolarHBondContact OD1-CA 3.49Å; N26-D28 PolarHBondContact OD1-N 3.1Å; N26-D28 VanDerWaalsContact OD1-N 3.07Å; N26-G29 PolarHBondContact O-N 3.3Å; N26-G29 VanDerWaalsContact O-N 3.1Å; N26-G29 PolarHBondContact OD1-N 3.5Å; N26-A30 PolarHBondContact N-O 2.97Å; N26-A30 WeakPolarHBondContact OD1-CB 3.27Å; N26-A30 PolarHBondContact OD1-N 2.98Å; N26-A30 PolarHBondContact OD1-O 2.8Å; N26-L32 HydrophobicContact CB-CD1 3.96Å; N26-L32 HydrophobicContact CB-CD2 4.14Å; N26-L32 HydrophobicContact CB-CG 4.07Å
27E92.9Very high96.1Very high107 Ų10748.6 Ų48.650%0.529%0.287SS..THydrogen-bonded Turntrans-59.7-30.9178.4-169.4164.3-157.100112.8G29 H49 K84E27-G29 VanDerWaalsContact C-N 3.33Å; E27-H49 PolarHBondContact O-NE2 2.79Å; E27-K84 PolarHBondContact N-O 3.26Å; E27-K84 IonicContact OE2-NZ 3.37Å; E27-K84 PolarHBondContact OE2-NZ 2.88Å
28D94.4Very high96.2Very high131 Ų13143.7 Ų43.770%0.70126%0.255SS*.THydrogen-bonded Turntrans-84.7-3.1178.6-47.3-58.5000113.8N26N26-D28 PolarHBondContact ND2-OD2 3.07Å; N26-D28 VanDerWaalsContact ND2-OD2 3.12Å; N26-D28 PolarHBondContact O-N 3.01Å; N26-D28 WeakPolarHBondContact OD1-CA 3.49Å; N26-D28 PolarHBondContact OD1-N 3.1Å; N26-D28 VanDerWaalsContact OD1-N 3.07Å
29G95.3Very high96.3Very high16 Ų1643 Ų4317%0.16525%0.251CS..  trans84.45.6-177.800000114.9N26 E27 H49N26-G29 PolarHBondContact O-N 3.3Å; N26-G29 VanDerWaalsContact O-N 3.1Å; N26-G29 PolarHBondContact OD1-N 3.5Å; E27-G29 VanDerWaalsContact C-N 3.33Å; G29-H49 WeakPolarHBondContact CA-CD2 3.5Å; G29-H49 PolarHBondContact N-CD2 2.76Å; G29-H49 VanDerWaalsContact N-CD2 3.34Å; G29-H49 PolarHBondContact N-NE2 2.94Å
30A95.8Very high96.3Very high51 Ų5149 Ų4942%0.42127%0.273SS..  trans-71.9137.3174.600000111.3L25 N26 L32L25-A30 CarbonylContact C-O 3.57Å; L25-A30 VanDerWaalsContact CA-O 3.27Å; L25-A30 WeakPolarHBondContact CA-O 3.35Å; N26-A30 PolarHBondContact N-O 2.97Å; N26-A30 WeakPolarHBondContact OD1-CB 3.27Å; N26-A30 PolarHBondContact OD1-N 2.98Å; N26-A30 PolarHBondContact OD1-O 2.8Å; A30-L32 PolarHBondContact O-N 2.88Å
31I96.3Very high96.3Very high53 Ų5348.4 Ų48.427%0.27227%0.27SS..EExtended strand (participates in β ladder)trans-71.9116.3179.5-59.3175.2000109.6L23 L25 Q42 A45L23-I31 HydrophobicContact CD2-CD1 4.14Å; L23-I31 HydrophobicContact CD2-CG1 4.44Å; L23-I31 HydrophobicContact CD2-CG2 4.29Å; L25-I31 HydrophobicContact CD2-CB 4.34Å; L25-I31 HydrophobicContact CD2-CG1 3.71Å; I31-Q42 HydrophobicContact CD1-CG 4.24Å; I31-A45 HydrophobicContact CD1-CB 4.02Å; I31-A45 HydrophobicContact CG1-CB 3.91Å
32L95Very high96.3Very high68 Ų6855.6 Ų55.636%0.35630%0.303SS..EExtended strand (participates in β ladder)trans-87.7-38.1172.8-62.6178.1000112V24 N26 A30 K85V24-L32 HydrophobicContact CB-CB 4.42Å; V24-L32 HydrophobicContact CG1-CB 4.34Å; V24-L32 HydrophobicContact CG1-CD1 4.3Å; V24-L32 WeakPolarHBondContact O-CB 3.38Å; V24-L32 PolarHBondContact O-N 3.29Å; N26-L32 HydrophobicContact CB-CD1 3.96Å; N26-L32 HydrophobicContact CB-CD2 4.14Å; N26-L32 HydrophobicContact CB-CG 4.07Å; A30-L32 PolarHBondContact O-N 2.88Å; L32-K85 HydrophobicContact CD1-CD 3.91Å; L32-K85 HydrophobicContact CD1-CG 4.14Å
33A95.4Very high96.2Very high21 Ų2158.6 Ų58.617%0.17433%0.325CS..EExtended strand (participates in β ladder)trans-151.4148.9177.200000110.5F10 Y22 L23 V24F10-A33 HydrophobicContact CB-CB 4.5Å; F10-A33 HydrophobicContact CD2-CB 3.53Å; F10-A33 HydrophobicContact CE2-CB 4.14Å; F10-A33 HydrophobicContact CG-CB 4.32Å; Y22-A33 HydrophobicContact CE2-CB 4.28Å; L23-A33 CarbonylContact C-O 3.57Å; L23-A33 WeakPolarHBondContact CA-O 3.43Å; V24-A33 HydrophobicContact CB-CB 4.19Å; V24-A33 HydrophobicContact CG2-CB 4.18Å; V24-A33 PolarHBondContact N-O 2.76Å; V24-A33 PolarHBondContact O-N 3.38Å
34S95.9Very high96.3Very high19 Ų1959.6 Ų59.613%0.13333%0.331CS..EExtended strand (participates in β ladder)trans-152.7153.3177.962.60000111.9Y22 Y40Y22-S34 CarbonylContact O-C 3.58Å; Y22-S34 VanDerWaalsContact O-CA 3.25Å; Y22-S34 WeakPolarHBondContact O-CA 3.4Å; S34-Y40 PolarHBondContact OG-N 2.95Å
35S96.5Very high96.3Very high43 Ų4359.8 Ų59.830%0.30133%0.332SS..EExtended strand (participates in β ladder)trans-159.8162.8178.8-165.90000112.4G21 Y22 L38G21-S35 CarbonylContact C-O 3.48Å; G21-S35 WeakPolarHBondContact CA-O 3.49Å; Y22-S35 PolarHBondContact N-O 3.28Å; Y22-S35 PolarHBondContact O-N 2.83Å; S35-L38 PolarHBondContact O-N 3.33Å
36G97Very high96.3Very high45 Ų4561.9 Ų61.946%0.46435%0.35SS..EExtended strand (participates in β ladder)trans58.9-138.3176.700000112.7L20 L38 L39L20-G36 WeakPolarHBondContact O-CA 3.38Å; G36-L38 PolarHBondContact O-N 3.03Å; G36-L39 VanDerWaalsContact O-CB 3.3Å; G36-L39 WeakPolarHBondContact O-CB 3.49Å; G36-L39 PolarHBondContact O-N 3.39Å
37D97.7Very high96.4Very high91 Ų9167.1 Ų67.149%0.48737%0.368SS..THydrogen-bonded Turntrans-56.2-17178.2-78.99000114.6L20 K90L20-D37 PolarHBondContact O-N 3.44Å; D37-K90 HydrophobicContact CB-CD 3.82Å; D37-K90 WeakPolarHBondContact OD2-CE 3.49Å; D37-K90 IonicContact OD2-NZ 2.73Å; D37-K90 PolarHBondContact OD2-NZ 2.92Å
38L97.5Very high96.5Very high1 Ų162.4 Ų62.41%0.00535%0.346CS..THydrogen-bonded Turntrans-109.512.5-178.4-58.4-179.8000112.8L23 S35 G36 Y40 D41 T44 Y77 V88 K90L23-L38 HydrophobicContact CD1-CB 4.14Å; L23-L38 HydrophobicContact CD1-CD1 4.13Å; L23-L38 HydrophobicContact CD2-CB 4.08Å; L23-L38 WeakPolarHBondContact CD2-O 3.48Å; L23-L38 HydrophobicContact CG-CB 3.71Å; L23-L38 HydrophobicContact CG-CD1 3.98Å; L23-L38 HydrophobicContact CG-CG 4.41Å; S35-L38 PolarHBondContact O-N 3.33Å; G36-L38 PolarHBondContact O-N 3.03Å; L38-Y40 PolarHBondContact O-N 3.08Å; L38-D41 PolarHBondContact O-N 2.77Å; L38-D41 VanDerWaalsContact O-N 3.17Å; L38-T44 HydrophobicContact CD2-CG2 4.05Å; L38-Y77 HydrophobicContact CD1-CD1 4.42Å; L38-Y77 HydrophobicContact CD1-CE1 4.03Å; L38-Y77 HydrophobicContact CD2-CE1 3.95Å; L38-Y77 HydrophobicContact CG-CE1 4.47Å; L38-V88 HydrophobicContact CD1-CG1 4.19Å; L38-K90 HydrophobicContact CD1-CB 4.08Å; L38-K90 HydrophobicContact CG-CB 4.37Å
39L97.3Very high96.6Very high93 Ų9357.9 Ų57.949%0.48732%0.321SS..THydrogen-bonded Turntrans-58.5114.8179.6-17667000110.6G36 D41G36-L39 VanDerWaalsContact O-CB 3.3Å; G36-L39 WeakPolarHBondContact O-CB 3.49Å; G36-L39 PolarHBondContact O-N 3.39Å; L39-D41 PolarHBondContact O-N 3.09Å; L39-D41 VanDerWaalsContact O-N 3.15Å
40Y95.8Very high96.6Very high169 Ų16965.5 Ų65.566%0.66334%0.344SS*.THydrogen-bonded Turntrans53.724.7-176.2-48.7-60.8000115.6S34 L38 Q42S34-Y40 PolarHBondContact OG-N 2.95Å; L38-Y40 PolarHBondContact O-N 3.08Å; Y40-Q42 PolarHBondContact O-N 2.74Å
41D97.4Very high96.4Very high44 Ų4467.1 Ų67.124%0.23534%0.344CS..  trans-74.888.5178.5-174.8-7.6000111.4L38 L39 T43 T44 A45L38-D41 PolarHBondContact O-N 2.77Å; L38-D41 VanDerWaalsContact O-N 3.17Å; L39-D41 PolarHBondContact O-N 3.09Å; L39-D41 VanDerWaalsContact O-N 3.15Å; D41-T43 VanDerWaalsContact C-N 3.29Å; D41-T43 PolarHBondContact O-N 3.05Å; D41-T43 WeakPolarHBondContact OD1-CB 3.35Å; D41-T43 PolarHBondContact OD1-N 2.89Å; D41-T43 VanDerWaalsContact OD1-N 3.1Å; D41-T44 VanDerWaalsContact CG-CB 3.5Å; D41-T44 VanDerWaalsContact CG-OG1 3.28Å; D41-T44 PolarHBondContact OD1-N 3.45Å; D41-T44 WeakPolarHBondContact OD2-CB 3.21Å; D41-T44 PolarHBondContact OD2-OG1 3.42Å; D41-A45 WeakPolarHBondContact O-CB 3.49Å; D41-A45 PolarHBondContact O-N 3.16Å; D41-A45 VanDerWaalsContact O-N 3.09Å
42Q97Very high96.2Very high151 Ų15165.6 Ų65.671%0.70634%0.337SS*.Hα-helixtrans-67.1-29.8178.8-64.4-177.66.500112.7I31 Y40 A45 A46I31-Q42 HydrophobicContact CD1-CG 4.24Å; Y40-Q42 PolarHBondContact O-N 2.74Å; Q42-A45 PolarHBondContact O-N 2.84Å; Q42-A46 VanDerWaalsContact O-CB 3.32Å; Q42-A46 WeakPolarHBondContact O-CB 3.37Å; Q42-A46 PolarHBondContact O-N 3.49Å
43T97.4Very high95.9Very high91 Ų9167.4 Ų67.456%0.55834%0.344SS*.Hα-helixtrans-67.2-51.9-179.3-59.20000109.6D41 A45 A46 Y47D41-T43 VanDerWaalsContact C-N 3.29Å; D41-T43 PolarHBondContact O-N 3.05Å; D41-T43 WeakPolarHBondContact OD1-CB 3.35Å; D41-T43 PolarHBondContact OD1-N 2.89Å; D41-T43 VanDerWaalsContact OD1-N 3.1Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.03Å; T43-A46 PolarHBondContact O-N 3.23Å; T43-Y47 HydrophobicContact CG2-CD2 3.81Å; T43-Y47 HydrophobicContact CG2-CE2 3.5Å; T43-Y47 WeakPolarHBondContact O-CD2 3.23Å; T43-Y47 PolarHBondContact O-N 3.23Å
44T97.2Very high95.6Very high22 Ų2269.7 Ų69.714%0.13536%0.356CS..Hα-helixtrans-62.3-41175.6-63.90000111.4L23 L38 D41 A46 Y47 I48L23-T44 HydrophobicContact CD1-CG2 4.03Å; L38-T44 HydrophobicContact CD2-CG2 4.05Å; D41-T44 VanDerWaalsContact CG-CB 3.5Å; D41-T44 VanDerWaalsContact CG-OG1 3.28Å; D41-T44 PolarHBondContact OD1-N 3.45Å; D41-T44 WeakPolarHBondContact OD2-CB 3.21Å; D41-T44 PolarHBondContact OD2-OG1 3.42Å; T44-A46 PolarHBondContact O-N 2.84Å; T44-Y47 PolarHBondContact O-N 3.34Å; T44-I48 HydrophobicContact CG2-CD1 3.59Å; T44-I48 HydrophobicContact CG2-CG1 4.24Å; T44-I48 WeakPolarHBondContact O-CB 3.23Å; T44-I48 WeakPolarHBondContact O-CG1 3.25Å; T44-I48 PolarHBondContact O-N 3.48Å
45A98Very high94.9Very high3 Ų372.6 Ų72.63%0.02537%0.374CS..Hα-helixtrans-57.3-47.6175.100000112.2L23 L25 I31 D41 Q42 T43 I48 H49L23-A45 HydrophobicContact CD1-CB 4.28Å; L25-A45 HydrophobicContact CD1-CB 4.14Å; L25-A45 WeakPolarHBondContact CD1-O 3.19Å; L25-A45 HydrophobicContact CD2-CB 3.68Å; I31-A45 HydrophobicContact CD1-CB 4.02Å; I31-A45 HydrophobicContact CG1-CB 3.91Å; D41-A45 WeakPolarHBondContact O-CB 3.49Å; D41-A45 PolarHBondContact O-N 3.16Å; D41-A45 VanDerWaalsContact O-N 3.09Å; Q42-A45 PolarHBondContact O-N 2.84Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.03Å; A45-I48 PolarHBondContact O-N 2.86Å; A45-H49 VanDerWaalsContact O-CB 3.25Å; A45-H49 WeakPolarHBondContact O-CB 3.27Å; A45-H49 PolarHBondContact O-N 2.89Å
46A97.4Very high94.1Very high45 Ų4572.8 Ų72.837%0.37237%0.373SS..Hα-helixtrans-65.4-42.3-179.900000112.5Q42 T43 T44 R50Q42-A46 VanDerWaalsContact O-CB 3.32Å; Q42-A46 WeakPolarHBondContact O-CB 3.37Å; Q42-A46 PolarHBondContact O-N 3.49Å; T43-A46 PolarHBondContact O-N 3.23Å; T44-A46 PolarHBondContact O-N 2.84Å; A46-R50 WeakPolarHBondContact O-CG 3.15Å; A46-R50 PolarHBondContact O-N 2.89Å
47Y96.7Very high93Very high146 Ų14673.9 Ų73.957%0.57338%0.378SS*.Hα-helixtrans-63.9-48.6176.2-78.9-63000111.8T43 T44 H49 R50 M51T43-Y47 HydrophobicContact CG2-CD2 3.81Å; T43-Y47 HydrophobicContact CG2-CE2 3.5Å; T43-Y47 WeakPolarHBondContact O-CD2 3.23Å; T43-Y47 PolarHBondContact O-N 3.23Å; T44-Y47 PolarHBondContact O-N 3.34Å; Y47-H49 PolarHBondContact O-N 2.81Å; Y47-R50 PolarHBondContact O-N 2.84Å; Y47-M51 VanDerWaalsContact O-CG 3.3Å; Y47-M51 WeakPolarHBondContact O-CG 3.37Å; Y47-M51 PolarHBondContact O-N 2.85Å
48I96.5Very high92Very high7 Ų774.9 Ų74.94%0.03639%0.388CS..Hα-helixtrans-64.5-41.7180-69.2176.2000110.9T44 A45 R50 M51 V52 I79 V86 V88T44-I48 HydrophobicContact CG2-CD1 3.59Å; T44-I48 HydrophobicContact CG2-CG1 4.24Å; T44-I48 WeakPolarHBondContact O-CB 3.23Å; T44-I48 WeakPolarHBondContact O-CG1 3.25Å; T44-I48 PolarHBondContact O-N 3.48Å; A45-I48 PolarHBondContact O-N 2.86Å; I48-R50 PolarHBondContact O-N 3.46Å; I48-M51 WeakPolarHBondContact O-CB 3.26Å; I48-M51 PolarHBondContact O-N 3Å; I48-M51 VanDerWaalsContact O-N 3.15Å; I48-V52 HydrophobicContact CG2-CG1 4.39Å; I48-V52 WeakPolarHBondContact O-CG1 3.48Å; I48-V52 PolarHBondContact O-N 3.26Å; I48-I79 HydrophobicContact CD1-CD1 4.12Å; I48-I79 HydrophobicContact CD1-CG1 4.31Å; I48-I79 HydrophobicContact CG1-CD1 4.05Å; I48-I79 HydrophobicContact CG2-CD1 3.94Å; I48-I79 HydrophobicContact CG2-CG1 4.18Å; I48-I79 HydrophobicContact CG2-CG2 3.98Å; I48-V86 HydrophobicContact CG2-CG1 3.99Å; I48-V88 HydrophobicContact CD1-CB 4.16Å; I48-V88 HydrophobicContact CD1-CG1 3.38Å; I48-V88 HydrophobicContact CD1-CG2 3.71Å; I48-V88 HydrophobicContact CG2-CG2 3.78Å
49H95.7Very high91Very high36 Ų3680.2 Ų80.217%0.16742%0.415CS..Hα-helixtrans-57.5-49.1175.5-177.4-103.3000110.8L25 E27 G29 A45 Y47 M51 V52 Q53L25-H49 HydrophobicContact CD1-CB 4.24Å; E27-H49 PolarHBondContact O-NE2 2.79Å; G29-H49 WeakPolarHBondContact CA-CD2 3.5Å; G29-H49 PolarHBondContact N-CD2 2.76Å; G29-H49 VanDerWaalsContact N-CD2 3.34Å; G29-H49 PolarHBondContact N-NE2 2.94Å; A45-H49 VanDerWaalsContact O-CB 3.25Å; A45-H49 WeakPolarHBondContact O-CB 3.27Å; A45-H49 PolarHBondContact O-N 2.89Å; Y47-H49 PolarHBondContact O-N 2.81Å; H49-M51 VanDerWaalsContact C-N 3.3Å; H49-M51 PolarHBondContact O-N 3.27Å; H49-V52 VanDerWaalsContact O-CG2 3.23Å; H49-V52 WeakPolarHBondContact O-CG2 3.39Å; H49-V52 PolarHBondContact O-N 3.31Å; H49-Q53 PolarHBondContact NE2-NE2 3.31Å; H49-Q53 WeakPolarHBondContact O-CG 3.47Å; H49-Q53 PolarHBondContact O-N 3Å; H49-Q53 VanDerWaalsContact O-N 3.16Å
50R94.7Very high90.2Very high176 Ų17679.3 Ų79.366%0.66441%0.41SS*.Hα-helixtrans-58.4-40.2174.9-72175.2-175.6-179.82.3113A46 Y47 I48 V52 Q53A46-R50 WeakPolarHBondContact O-CG 3.15Å; A46-R50 PolarHBondContact O-N 2.89Å; Y47-R50 PolarHBondContact O-N 2.84Å; I48-R50 PolarHBondContact O-N 3.46Å; R50-V52 PolarHBondContact O-N 3.28Å; R50-Q53 PolarHBondContact O-N 2.96Å
51M92.6Very high89.1Confident86 Ų8676 Ų7642%0.42441%0.409SS..Hα-helixtrans-62-42.4178.7-71.8175.170.800112.4Y47 I48 H49 Q53 V54 V70Y47-M51 VanDerWaalsContact O-CG 3.3Å; Y47-M51 WeakPolarHBondContact O-CG 3.37Å; Y47-M51 PolarHBondContact O-N 2.85Å; I48-M51 WeakPolarHBondContact O-CB 3.26Å; I48-M51 PolarHBondContact O-N 3Å; I48-M51 VanDerWaalsContact O-N 3.15Å; H49-M51 VanDerWaalsContact C-N 3.3Å; H49-M51 PolarHBondContact O-N 3.27Å; M51-Q53 VanDerWaalsContact C-N 3.33Å; M51-V54 WeakPolarHBondContact O-CG2 3.25Å; M51-V54 PolarHBondContact O-N 3.15Å; M51-V70 HydrophobicContact CE-CG2 3.66Å
52V91.4Very high88.3Confident20 Ų2081.4 Ų81.412%0.12144%0.438CS..Hα-helixtrans-80.2-16.1-176.8-57.50000113.6I48 H49 R50 V54 I68 I79 L81 V86I48-V52 HydrophobicContact CG2-CG1 4.39Å; I48-V52 WeakPolarHBondContact O-CG1 3.48Å; I48-V52 PolarHBondContact O-N 3.26Å; H49-V52 VanDerWaalsContact O-CG2 3.23Å; H49-V52 WeakPolarHBondContact O-CG2 3.39Å; H49-V52 PolarHBondContact O-N 3.31Å; R50-V52 PolarHBondContact O-N 3.28Å; V52-V54 VanDerWaalsContact C-N 3.26Å; V52-I68 HydrophobicContact CG1-CD1 4.27Å; V52-I79 HydrophobicContact CG1-CG2 3.84Å; V52-L81 HydrophobicContact CB-CD1 3.94Å; V52-L81 HydrophobicContact CB-CD2 4.08Å; V52-L81 HydrophobicContact CB-CG 4.42Å; V52-L81 HydrophobicContact CG1-CD1 3.66Å; V52-L81 HydrophobicContact CG2-CD2 4.44Å; V52-V86 HydrophobicContact CG1-CG1 4.22Å; V52-V86 HydrophobicContact CG2-CG1 4.47Å; V52-V86 HydrophobicContact CG2-CG2 3.9Å
53Q89.9Confident87.3Confident106 Ų10680.8 Ų80.850%0.49544%0.435SS..THydrogen-bonded Turntrans-79.6-8.2174.1-66.9-63.4-28.400112.9H49 R50 M51 P55H49-Q53 PolarHBondContact NE2-NE2 3.31Å; H49-Q53 WeakPolarHBondContact O-CG 3.47Å; H49-Q53 PolarHBondContact O-N 3Å; H49-Q53 VanDerWaalsContact O-N 3.16Å; R50-Q53 PolarHBondContact O-N 2.96Å; M51-Q53 VanDerWaalsContact C-N 3.33Å; Q53-P55 WeakPolarHBondContact O-CD 3.1Å
54V87.9Confident86.3Confident69 Ų6981.2 Ų81.242%0.41844%0.442SS..SBendtrans-63.6123.4175.71790000108.9M51 V52 V56 I59M51-V54 WeakPolarHBondContact O-CG2 3.25Å; M51-V54 PolarHBondContact O-N 3.15Å; V52-V54 VanDerWaalsContact C-N 3.26Å; V54-V56 PolarHBondContact O-N 2.96Å; V54-I59 HydrophobicContact CG1-CD1 3.64Å
55P81.2Confident85.7Confident81 Ų8183 Ų8353%0.52645%0.454SS..  trans-61.3103.4-179.4-23.233.8000110.7Q53 A57 T58Q53-P55 WeakPolarHBondContact O-CD 3.1Å; P55-A57 PolarHBondContact O-N 2.83Å; P55-T58 HydrophobicContact CB-CG2 4.09Å; P55-T58 PolarHBondContact O-N 3.29Å; P55-T58 VanDerWaalsContact O-N 3.09Å; P55-T58 PolarHBondContact O-OG1 3.04Å
56V79.3Confident85.2Confident46 Ų4687.9 Ų87.928%0.27949%0.488SS..G310 helixtrans-61.9-33.6-177.1-179.30000110.9V54 T58 I59 L60 E63 P65V54-V56 PolarHBondContact O-N 2.96Å; V56-T58 PolarHBondContact O-N 3.05Å; V56-I59 CarbonylContact O-C 3.53Å; V56-I59 WeakPolarHBondContact O-CA 3.41Å; V56-I59 PolarHBondContact O-N 3.4Å; V56-L60 HydrophobicContact CG1-CB 3.96Å; V56-L60 HydrophobicContact CG1-CD1 4.24Å; V56-L60 HydrophobicContact CG1-CG 4.47Å; V56-L60 CarbonylContact O-C 3.51Å; V56-L60 PolarHBondContact O-N 2.94Å; V56-E63 WeakPolarHBondContact CG1-O 3.44Å; V56-P65 HydrophobicContact CG2-CG 4.29Å
57A74.8Confident85Confident69 Ų6991.6 Ų91.657%0.5749%0.492SS*.G310 helixtrans-57.6-23.7178.100000114P55 I59 P61P55-A57 PolarHBondContact O-N 2.83Å; A57-I59 VanDerWaalsContact C-N 3.31Å; A57-P61 VanDerWaalsContact O-CA 3.3Å; A57-P61 WeakPolarHBondContact O-CA 3.3Å
58T76.4Confident84.8Confident111 Ų11186.8 Ų86.868%0.68148%0.476SS*.G310 helixtrans-80.2-15.9175.5600000113P55 V56P55-T58 HydrophobicContact CB-CG2 4.09Å; P55-T58 PolarHBondContact O-N 3.29Å; P55-T58 VanDerWaalsContact O-N 3.09Å; P55-T58 PolarHBondContact O-OG1 3.04Å; V56-T58 PolarHBondContact O-N 3.05Å
59I77.4Confident84.8Confident113 Ų11391.5 Ų91.558%0.57950%0.501SS*.THydrogen-bonded Turntrans-108.5-41.8-177.1-52.5177000110.3V54 V56 A57V54-I59 HydrophobicContact CG1-CD1 3.64Å; V56-I59 CarbonylContact O-C 3.53Å; V56-I59 WeakPolarHBondContact O-CA 3.41Å; V56-I59 PolarHBondContact O-N 3.4Å; A57-I59 VanDerWaalsContact C-N 3.31Å
60L79.4Confident84.8Confident75 Ų7591.5 Ų91.539%0.39350%0.503SS..  trans-135.581.5-177.2-59.9173.6000108.3V56 N62 E63V56-L60 HydrophobicContact CG1-CB 3.96Å; V56-L60 HydrophobicContact CG1-CD1 4.24Å; V56-L60 HydrophobicContact CG1-CG 4.47Å; V56-L60 CarbonylContact O-C 3.51Å; V56-L60 PolarHBondContact O-N 2.94Å; L60-N62 PolarHBondContact O-N 2.84Å; L60-E63 HydrophobicContact CB-CB 4.15Å; L60-E63 WeakPolarHBondContact CB-O 3.31Å; L60-E63 PolarHBondContact O-N 3.49Å; L60-E63 VanDerWaalsContact O-N 3.16Å
61P73.9Confident84.9Confident98 Ų9892.3 Ų92.364%0.63651%0.507SS*.THydrogen-bonded Turntrans-59.7-21.7-169.918.9-30.7000114.7A57A57-P61 VanDerWaalsContact O-CA 3.3Å; A57-P61 WeakPolarHBondContact O-CA 3.3Å
62N79.4Confident85.1Confident159 Ų15992.7 Ų92.785%0.8551%0.506SS*.THydrogen-bonded Turntrans-1175.6-177-60.9-35.7000113.5L60L60-N62 PolarHBondContact O-N 2.84Å
63E76.3Confident85.3Confident137 Ų13799.5 Ų99.564%0.6454%0.542SS*.  trans-138.5135.6-175.4-57.5-175.416600111V56 L60V56-E63 WeakPolarHBondContact CG1-O 3.44Å; L60-E63 HydrophobicContact CB-CB 4.15Å; L60-E63 WeakPolarHBondContact CB-O 3.31Å; L60-E63 PolarHBondContact O-N 3.49Å; L60-E63 VanDerWaalsContact O-N 3.16Å
64S77.1Confident85.6Confident101 Ų10197.5 Ų97.571%0.70654%0.543SS*.  trans-115.3127.1168.260.50000108.9S66S64-S66 PolarHBondContact O-N 2.89Å
65P83.8Confident86Confident58 Ų5896.3 Ų96.338%0.37753%0.532SS..  trans-63124.2-179.827-34.7000109.5V56 R67 I68V56-P65 HydrophobicContact CG2-CG 4.29Å; P65-R67 PolarHBondContact O-N 3.29Å; P65-I68 HydrophobicContact CB-CG1 4.11Å; P65-I68 HydrophobicContact CG-CD1 4.28Å; P65-I68 HydrophobicContact CG-CG1 4.01Å
66S87.2Confident86.8Confident106 Ų10694.5 Ų94.574%0.74152%0.516SS*.SBendtrans-68.3-25.7171.159.10000111.9S64S64-S66 PolarHBondContact O-N 2.89Å
67R93.2Very high87.7Confident123 Ų12393.5 Ų93.546%0.46451%0.508SS..  trans-152.2137.7-179.8-173.7174.6-168.7177.91.6110P65 L69 S78 I79 V80P65-R67 PolarHBondContact O-N 3.29Å; R67-L69 HydrophobicContact CG-CD2 4.11Å; R67-S78 PolarHBondContact NE-OG 3.17Å; R67-S78 PolarHBondContact NH2-OG 3.15Å; R67-I79 CarbonylContact C-O 3.58Å; R67-I79 WeakPolarHBondContact CA-O 3.4Å; R67-V80 HydrophobicContact CB-CG2 4.1Å; R67-V80 HydrophobicContact CG-CG2 3.8Å
68I93.9Very high88.8Confident45 Ų4590.6 Ų90.623%0.23148%0.483CS..EExtended strand (participates in β ladder)trans-109.1132.2172.8-59.9166.9000107.8V52 P65 V70 I79V52-I68 HydrophobicContact CG1-CD1 4.27Å; P65-I68 HydrophobicContact CB-CG1 4.11Å; P65-I68 HydrophobicContact CG-CD1 4.28Å; P65-I68 HydrophobicContact CG-CG1 4.01Å; I68-V70 HydrophobicContact CG2-CG2 4.39Å; I68-I79 HydrophobicContact CB-CB 4.18Å; I68-I79 HydrophobicContact CG2-CD1 4.41Å; I68-I79 PolarHBondContact N-O 3.07Å; I68-I79 PolarHBondContact O-N 3.46Å
69L95.7Very high89.8Confident106 Ų10685.3 Ų85.356%0.55545%0.451SS*.EExtended strand (participates in β ladder)trans-113.7126.1174.6-60.4-178.4000109.6R67 F76 Y77R67-L69 HydrophobicContact CG-CD2 4.11Å; L69-F76 HydrophobicContact CD2-CD2 4.02Å; L69-F76 HydrophobicContact CD2-CE2 4.04Å; L69-Y77 VanDerWaalsContact CA-O 3.31Å; L69-Y77 WeakPolarHBondContact CA-O 3.33Å
70V96.3Very high90.6Very high36 Ų3682.1 Ų82.122%0.21844%0.437CS..EExtended strand (participates in β ladder)trans-112.4106.6173.6-172.60000108M51 I68 F72 F76 Y77 I79M51-V70 HydrophobicContact CE-CG2 3.66Å; I68-V70 HydrophobicContact CG2-CG2 4.39Å; V70-F72 HydrophobicContact CG1-CE2 3.78Å; V70-F72 HydrophobicContact CG1-CZ 4.17Å; V70-F76 CarbonylContact O-C 3.37Å; V70-F76 WeakPolarHBondContact O-CA 3.39Å; V70-F76 WeakPolarHBondContact O-CB 3.45Å; V70-Y77 HydrophobicContact CB-CD2 4.33Å; V70-Y77 PolarHBondContact N-O 3.48Å; V70-Y77 PolarHBondContact O-N 3.12Å; V70-I79 HydrophobicContact CG2-CD1 3.88Å
71R96.6Very high91.3Very high194 Ų19483.1 Ų83.173%0.73244%0.442SS*.EExtended strand (participates in β ladder)trans-98.6132.8-170.5-168.9170.9-171.4142.20.3111.6F76R71-F76 HydrophobicContact CB-CB 4.32Å; R71-F76 HydrophobicContact CG-CB 4.32Å
72F96.1Very high92.1Very high94 Ų9481.1 Ų81.141%0.41243%0.43SS..  trans-117.1177.7167.6-60.6-95.1000108.6V70 F75 Y77 N93V70-F72 HydrophobicContact CG1-CE2 3.78Å; V70-F72 HydrophobicContact CG1-CZ 4.17Å; F72-F75 CarbonylContact C-O 3.54Å; F72-F75 WeakPolarHBondContact CA-O 3.41Å; F72-F75 HydrophobicContact CB-CD1 4.38Å; F72-F75 HydrophobicContact CB-CD2 4.48Å; F72-F75 HydrophobicContact CB-CE1 4.13Å; F72-F75 HydrophobicContact CB-CE2 4.23Å; F72-F75 HydrophobicContact CB-CZ 4.04Å; F72-F75 WeakPolarHBondContact CB-O 3.32Å; F72-F75 HydrophobicContact CD1-CZ 4.31Å; F72-F75 AromaticContact CD2-CD2 3.92Å; F72-F75 HydrophobicContact CD2-CD2 3.92Å; F72-F75 AromaticContact CD2-CE2 3.27Å; F72-F75 HydrophobicContact CD2-CE2 3.27Å; F72-F75 AromaticContact CD2-CZ 3.63Å; F72-F75 HydrophobicContact CD2-CZ 3.63Å; F72-F75 AromaticContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CZ 4.15Å; F72-F75 HydrophobicContact CG-CD2 4.5Å; F72-F75 HydrophobicContact CG-CE1 4.3Å; F72-F75 AromaticContact CG-CE2 3.85Å; F72-F75 HydrophobicContact CG-CE2 3.85Å; F72-F75 AromaticContact CG-CZ 3.73Å; F72-F75 HydrophobicContact CG-CZ 3.73Å; F72-F75 PolarHBondContact N-O 3.46Å; F72-Y77 HydrophobicContact CD2-CD2 4.46Å; F72-Y77 HydrophobicContact CD2-CE2 4.41Å; F72-Y77 AromaticContact CE2-CD2 3.74Å; F72-Y77 HydrophobicContact CE2-CD2 3.74Å; F72-Y77 AromaticContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CZ-CE2 4.33Å; F72-N93 PolarHBondContact O-ND2 3.09Å
73D95.5Very high92.7Very high163 Ų16380 Ų8087%0.87242%0.424SS*.SBendtrans-66.7-41.1-176.6-63.9-24.2000113.2N93D73-N93 VanDerWaalsContact C-ND2 3.25Å; D73-N93 PolarHBondContact O-ND2 2.75Å
74A95.5Very high93.3Very high64 Ų6480.7 Ų80.753%0.52943%0.425SS..SBendtrans-98.8-19.3-175.400000114.2N93A74-N93 PolarHBondContact O-N 2.73Å
75F97.2Very high94.2Very high43 Ų4378.3 Ų78.319%0.18940%0.402CS..EExtended strand (participates in β ladder)trans-154.9172-174.666.7-90.6000110.9L20 F72 Y77 K90 I91L20-F75 HydrophobicContact CD1-CB 4.2Å; F72-F75 CarbonylContact C-O 3.54Å; F72-F75 WeakPolarHBondContact CA-O 3.41Å; F72-F75 HydrophobicContact CB-CD1 4.38Å; F72-F75 HydrophobicContact CB-CD2 4.48Å; F72-F75 HydrophobicContact CB-CE1 4.13Å; F72-F75 HydrophobicContact CB-CE2 4.23Å; F72-F75 HydrophobicContact CB-CZ 4.04Å; F72-F75 WeakPolarHBondContact CB-O 3.32Å; F72-F75 HydrophobicContact CD1-CZ 4.31Å; F72-F75 AromaticContact CD2-CD2 3.92Å; F72-F75 HydrophobicContact CD2-CD2 3.92Å; F72-F75 AromaticContact CD2-CE2 3.27Å; F72-F75 HydrophobicContact CD2-CE2 3.27Å; F72-F75 AromaticContact CD2-CZ 3.63Å; F72-F75 HydrophobicContact CD2-CZ 3.63Å; F72-F75 AromaticContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CE2 3.76Å; F72-F75 HydrophobicContact CE2-CZ 4.15Å; F72-F75 HydrophobicContact CG-CD2 4.5Å; F72-F75 HydrophobicContact CG-CE1 4.3Å; F72-F75 AromaticContact CG-CE2 3.85Å; F72-F75 HydrophobicContact CG-CE2 3.85Å; F72-F75 AromaticContact CG-CZ 3.73Å; F72-F75 HydrophobicContact CG-CZ 3.73Å; F72-F75 PolarHBondContact N-O 3.46Å; F75-Y77 HydrophobicContact CD2-CE2 4.5Å; F75-Y77 HydrophobicContact CE2-CD2 4.26Å; F75-Y77 HydrophobicContact CE2-CE1 4.3Å; F75-Y77 AromaticContact CE2-CE2 3.64Å; F75-Y77 HydrophobicContact CE2-CE2 3.64Å; F75-Y77 AromaticContact CE2-CZ 3.65Å; F75-K90 HydrophobicContact CB-CG 4.43Å; F75-K90 HydrophobicContact CD2-CD 4.21Å; F75-K90 HydrophobicContact CD2-CG 3.74Å; F75-K90 HydrophobicContact CE2-CD 4.46Å; F75-K90 HydrophobicContact CE2-CG 4.33Å; F75-K90 HydrophobicContact CG-CG 4.23Å; F75-I91 CarbonylContact C-O 3.46Å; F75-I91 WeakPolarHBondContact CA-O 3.35Å; F75-I91 VanDerWaalsContact CB-O 3.25Å; F75-I91 WeakPolarHBondContact CB-O 3.42Å
76F97.6Very high94.8Very high43 Ų4375.9 Ų75.919%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-140154.116866.4-81.2000110.7L69 V70 R71 I91 N93L69-F76 HydrophobicContact CD2-CD2 4.02Å; L69-F76 HydrophobicContact CD2-CE2 4.04Å; V70-F76 CarbonylContact O-C 3.37Å; V70-F76 WeakPolarHBondContact O-CA 3.39Å; V70-F76 WeakPolarHBondContact O-CB 3.45Å; R71-F76 HydrophobicContact CB-CB 4.32Å; R71-F76 HydrophobicContact CG-CB 4.32Å; F76-I91 HydrophobicContact CD1-CB 4.12Å; F76-I91 HydrophobicContact CD1-CG2 4.41Å; F76-I91 WeakPolarHBondContact CD1-O 3.45Å; F76-I91 HydrophobicContact CE1-CB 3.62Å; F76-I91 HydrophobicContact CE1-CG2 3.54Å; F76-I91 HydrophobicContact CE2-CB 4.08Å; F76-I91 HydrophobicContact CE2-CD1 3.8Å; F76-I91 HydrophobicContact CE2-CG1 4.39Å; F76-I91 HydrophobicContact CZ-CB 3.6Å; F76-I91 HydrophobicContact CZ-CD1 3.73Å; F76-I91 HydrophobicContact CZ-CG1 4.22Å; F76-I91 HydrophobicContact CZ-CG2 3.63Å; F76-I91 PolarHBondContact N-O 2.8Å; F76-I91 PolarHBondContact O-N 2.86Å; F76-N93 VanDerWaalsContact CD1-OD1 3.3Å; F76-N93 WeakPolarHBondContact CD1-OD1 3.17Å
77Y98.1Very high95.2Very high26 Ų2672.1 Ų72.110%0.10236%0.356CS..EExtended strand (participates in β ladder)trans-91.7133.8165.7-63-64.7000110L38 L69 V70 F72 F75 V88 V89 K90L38-Y77 HydrophobicContact CD1-CD1 4.42Å; L38-Y77 HydrophobicContact CD1-CE1 4.03Å; L38-Y77 HydrophobicContact CD2-CE1 3.95Å; L38-Y77 HydrophobicContact CG-CE1 4.47Å; L69-Y77 VanDerWaalsContact CA-O 3.31Å; L69-Y77 WeakPolarHBondContact CA-O 3.33Å; V70-Y77 HydrophobicContact CB-CD2 4.33Å; V70-Y77 PolarHBondContact N-O 3.48Å; V70-Y77 PolarHBondContact O-N 3.12Å; F72-Y77 HydrophobicContact CD2-CD2 4.46Å; F72-Y77 HydrophobicContact CD2-CE2 4.41Å; F72-Y77 AromaticContact CE2-CD2 3.74Å; F72-Y77 HydrophobicContact CE2-CD2 3.74Å; F72-Y77 AromaticContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CE2-CE2 3.65Å; F72-Y77 HydrophobicContact CZ-CE2 4.33Å; F75-Y77 HydrophobicContact CD2-CE2 4.5Å; F75-Y77 HydrophobicContact CE2-CD2 4.26Å; F75-Y77 HydrophobicContact CE2-CE1 4.3Å; F75-Y77 AromaticContact CE2-CE2 3.64Å; F75-Y77 HydrophobicContact CE2-CE2 3.64Å; F75-Y77 AromaticContact CE2-CZ 3.65Å; Y77-V88 HydrophobicContact CD1-CG1 4.06Å; Y77-V89 WeakPolarHBondContact CA-O 3.12Å; Y77-K90 HydrophobicContact CD1-CB 3.86Å; Y77-K90 HydrophobicContact CD1-CG 4.04Å; Y77-K90 HydrophobicContact CE1-CB 3.63Å; Y77-K90 HydrophobicContact CE1-CD 3.9Å; Y77-K90 HydrophobicContact CE1-CG 3.55Å
78S97.6Very high95.5Very high7 Ų766.3 Ų66.35%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-105.8116.5167.3159.80000109.3R67 V88 V89R67-S78 PolarHBondContact NE-OG 3.17Å; R67-S78 PolarHBondContact NH2-OG 3.15Å; S78-V88 WeakPolarHBondContact O-CA 3.11Å; S78-V89 PolarHBondContact N-O 2.91Å; S78-V89 PolarHBondContact O-N 3.46Å
79I97.2Very high95.7Very high1 Ų164.6 Ų64.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-116.6128.1-175.8-55.9159.4000109.1I48 V52 R67 I68 V70 L81 V86 F87 V88I48-I79 HydrophobicContact CD1-CD1 4.12Å; I48-I79 HydrophobicContact CD1-CG1 4.31Å; I48-I79 HydrophobicContact CG1-CD1 4.05Å; I48-I79 HydrophobicContact CG2-CD1 3.94Å; I48-I79 HydrophobicContact CG2-CG1 4.18Å; I48-I79 HydrophobicContact CG2-CG2 3.98Å; V52-I79 HydrophobicContact CG1-CG2 3.84Å; R67-I79 CarbonylContact C-O 3.58Å; R67-I79 WeakPolarHBondContact CA-O 3.4Å; I68-I79 HydrophobicContact CB-CB 4.18Å; I68-I79 HydrophobicContact CG2-CD1 4.41Å; I68-I79 PolarHBondContact N-O 3.07Å; I68-I79 PolarHBondContact O-N 3.46Å; V70-I79 HydrophobicContact CG2-CD1 3.88Å; I79-L81 HydrophobicContact CG2-CD1 4.46Å; I79-V86 HydrophobicContact CG2-CG1 3.75Å; I79-F87 CarbonylContact C-O 3.58Å; I79-F87 VanDerWaalsContact CA-O 3.27Å; I79-F87 WeakPolarHBondContact CA-O 3.3Å; I79-V88 HydrophobicContact CG1-CG1 4.24Å; I79-V88 HydrophobicContact CG1-CG2 4.34Å
80V95.5Very high95.8Very high46 Ų4660.9 Ų60.928%0.27931%0.306SS..EExtended strand (participates in β ladder)trans-134.5135178.1175.80000109.1R67 F87R67-V80 HydrophobicContact CB-CG2 4.1Å; R67-V80 HydrophobicContact CG-CG2 3.8Å; V80-F87 PolarHBondContact N-O 2.84Å; V80-F87 PolarHBondContact O-N 2.97Å
81L93.1Very high95.8Very high95 Ų9559.9 Ų59.950%0.49730%0.299SS..EExtended strand (participates in β ladder)trans-98.3127.1172-7373.4000109.1V52 I79 K85 V86V52-L81 HydrophobicContact CB-CD1 3.94Å; V52-L81 HydrophobicContact CB-CD2 4.08Å; V52-L81 HydrophobicContact CB-CG 4.42Å; V52-L81 HydrophobicContact CG1-CD1 3.66Å; V52-L81 HydrophobicContact CG2-CD2 4.44Å; I79-L81 HydrophobicContact CG2-CD1 4.46Å; L81-K85 WeakPolarHBondContact CA-O 3.38Å; L81-V86 HydrophobicContact CG-CG2 4.43Å
82S91.3Very high95.9Very high56 Ų5658 Ų5839%0.39229%0.292SS..EExtended strand (participates in β ladder)trans-155.1139175.6178.80000110.8K84 K85S82-K84 VanDerWaalsContact C-N 3.29Å; S82-K84 PolarHBondContact O-N 3.03Å; S82-K85 PolarHBondContact N-O 3.29Å; S82-K85 WeakPolarHBondContact O-CA 3.3Å; S82-K85 WeakPolarHBondContact O-CB 3.14Å; S82-K85 PolarHBondContact O-N 3.01Å
83N91Very high95.7Very high135 Ų13554.1 Ų54.172%0.72228%0.275SS*.THydrogen-bonded Turntrans48.547.7178.2-68.2-31.4000113.7K85N83-K85 PolarHBondContact O-N 2.81Å; N83-K85 VanDerWaalsContact O-N 3.16Å
84K90.6Very high94.9Very high153 Ų15350.2 Ų50.267%0.66527%0.273SS*.THydrogen-bonded Turntrans57.223.8-177.4-55.4-179.1163-145.80114.5E27 S82E27-K84 PolarHBondContact N-O 3.26Å; E27-K84 IonicContact OE2-NZ 3.37Å; E27-K84 PolarHBondContact OE2-NZ 2.88Å; S82-K84 VanDerWaalsContact C-N 3.29Å; S82-K84 PolarHBondContact O-N 3.03Å
85K94.4Very high93.3Very high50 Ų5050.8 Ų50.822%0.21727%0.273CS..EExtended strand (participates in β ladder)trans-121.1149.3175.2-61.7-176.8-172.373.20110.1F10 V24 L25 L32 L81 S82 N83 F87F10-K85 HydrophobicContact CE1-CD 4.34Å; F10-K85 HydrophobicContact CZ-CD 4.14Å; V24-K85 HydrophobicContact CG1-CB 4.33Å; V24-K85 HydrophobicContact CG1-CD 4.06Å; L25-K85 CarbonylContact O-C 3.58Å; L25-K85 WeakPolarHBondContact O-CA 3.42Å; L25-K85 WeakPolarHBondContact O-CB 3.2Å; L32-K85 HydrophobicContact CD1-CD 3.91Å; L32-K85 HydrophobicContact CD1-CG 4.14Å; L81-K85 WeakPolarHBondContact CA-O 3.38Å; S82-K85 PolarHBondContact N-O 3.29Å; S82-K85 WeakPolarHBondContact O-CA 3.3Å; S82-K85 WeakPolarHBondContact O-CB 3.14Å; S82-K85 PolarHBondContact O-N 3.01Å; N83-K85 PolarHBondContact O-N 2.81Å; N83-K85 VanDerWaalsContact O-N 3.16Å; K85-F87 HydrophobicContact CB-CD2 4.36Å; K85-F87 HydrophobicContact CB-CE2 3.7Å; K85-F87 HydrophobicContact CB-CZ 3.97Å; K85-F87 HydrophobicContact CD-CZ 4.12Å
86V96.1Very high91.1Very high7 Ų754 Ų544%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-104.3118.7171.5-169.20000107.8V24 L25 I48 V52 I79 L81 V88V24-V86 CarbonylContact C-O 3.59Å; V24-V86 WeakPolarHBondContact CA-O 3.35Å; L25-V86 HydrophobicContact CB-CB 4.07Å; L25-V86 HydrophobicContact CB-CG2 4.41Å; L25-V86 HydrophobicContact CD1-CB 4.42Å; L25-V86 HydrophobicContact CG-CB 4.38Å; L25-V86 PolarHBondContact N-O 2.83Å; L25-V86 PolarHBondContact O-N 2.85Å; I48-V86 HydrophobicContact CG2-CG1 3.99Å; V52-V86 HydrophobicContact CG1-CG1 4.22Å; V52-V86 HydrophobicContact CG2-CG1 4.47Å; V52-V86 HydrophobicContact CG2-CG2 3.9Å; I79-V86 HydrophobicContact CG2-CG1 3.75Å; L81-V86 HydrophobicContact CG-CG2 4.43Å; V86-V88 HydrophobicContact CG1-CG2 4.19Å
87F97.2Very high88.8Confident28 Ų2856.5 Ų56.512%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-101.1123.4176.6-62.6-91.5000108.9F10 Y12 L13 V24 I79 V80 K85F10-F87 AromaticContact CD1-CE1 3.94Å; F10-F87 HydrophobicContact CD1-CE1 3.94Å; F10-F87 AromaticContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CE1 3.83Å; F10-F87 HydrophobicContact CE1-CZ 4.33Å; Y12-F87 VanDerWaalsContact OH-CE1 3.25Å; Y12-F87 WeakPolarHBondContact OH-CE1 3.13Å; L13-F87 HydrophobicContact CD1-CD1 4.32Å; V24-F87 HydrophobicContact CG1-CD1 4.17Å; V24-F87 HydrophobicContact CG1-CE1 3.99Å; V24-F87 HydrophobicContact CG2-CD1 4.01Å; V24-F87 HydrophobicContact CG2-CE1 4.29Å; I79-F87 CarbonylContact C-O 3.58Å; I79-F87 VanDerWaalsContact CA-O 3.27Å; I79-F87 WeakPolarHBondContact CA-O 3.3Å; V80-F87 PolarHBondContact N-O 2.84Å; V80-F87 PolarHBondContact O-N 2.97Å; K85-F87 HydrophobicContact CB-CD2 4.36Å; K85-F87 HydrophobicContact CB-CE2 3.7Å; K85-F87 HydrophobicContact CB-CZ 3.97Å; K85-F87 HydrophobicContact CD-CZ 4.12Å
88V97.9Very high86.2Confident0 Ų060.5 Ų60.50%036%0.356CS..EExtended strand (participates in β ladder)trans-122.8130.2179.8-173.60000108.8Y22 L23 L38 I48 Y77 S78 I79 V86Y22-V88 CarbonylContact C-O 3.58Å; Y22-V88 WeakPolarHBondContact CA-O 3.45Å; Y22-V88 VanDerWaalsContact CB-O 3.26Å; Y22-V88 WeakPolarHBondContact CB-O 3.47Å; L23-V88 HydrophobicContact CB-CB 4.05Å; L23-V88 HydrophobicContact CB-CG2 4.31Å; L23-V88 PolarHBondContact N-O 2.94Å; L23-V88 PolarHBondContact O-N 3.49Å; L38-V88 HydrophobicContact CD1-CG1 4.19Å; I48-V88 HydrophobicContact CD1-CB 4.16Å; I48-V88 HydrophobicContact CD1-CG1 3.38Å; I48-V88 HydrophobicContact CD1-CG2 3.71Å; I48-V88 HydrophobicContact CG2-CG2 3.78Å; Y77-V88 HydrophobicContact CD1-CG1 4.06Å; S78-V88 WeakPolarHBondContact O-CA 3.11Å; I79-V88 HydrophobicContact CG1-CG1 4.24Å; I79-V88 HydrophobicContact CG1-CG2 4.34Å; V86-V88 HydrophobicContact CG1-CG2 4.19Å
89V98Very high83.9Confident10 Ų1065.4 Ų65.46%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-127.7126.2171.8-169.40000109L13 V16 Q19 Y77 S78 I91L13-V89 HydrophobicContact CD2-CG2 4.11Å; V16-V89 HydrophobicContact CB-CG1 4.37Å; V16-V89 HydrophobicContact CG1-CG1 4.18Å; Q19-V89 HydrophobicContact CB-CG1 4.06Å; Q19-V89 HydrophobicContact CG-CG1 3.41Å; Q19-V89 VanDerWaalsContact CG-CG1 3.41Å; Y77-V89 WeakPolarHBondContact CA-O 3.12Å; S78-V89 PolarHBondContact N-O 2.91Å; S78-V89 PolarHBondContact O-N 3.46Å; V89-I91 HydrophobicContact CB-CD1 4.41Å; V89-I91 HydrophobicContact CB-CG1 4.26Å; V89-I91 HydrophobicContact CG1-CD1 4.21Å; V89-I91 HydrophobicContact CG1-CG1 3.74Å
90K98.3Very high81.6Confident28 Ų2869.9 Ų69.912%0.12243%0.427CS..EExtended strand (participates in β ladder)trans-84.1122.7168.5-167.1-178.8-178.2-172.80108.2Q19 L20 G21 D37 L38 F75 Y77Q19-K90 WeakPolarHBondContact CA-O 3.2Å; L20-K90 HydrophobicContact CB-CB 4.29Å; L20-K90 HydrophobicContact CB-CD 4.13Å; L20-K90 HydrophobicContact CB-CG 4.17Å; L20-K90 HydrophobicContact CD1-CD 4.38Å; L20-K90 HydrophobicContact CD1-CG 4.33Å; L20-K90 PolarHBondContact N-O 2.86Å; G21-K90 PolarHBondContact O-N 2.6Å; D37-K90 HydrophobicContact CB-CD 3.82Å; D37-K90 WeakPolarHBondContact OD2-CE 3.49Å; D37-K90 IonicContact OD2-NZ 2.73Å; D37-K90 PolarHBondContact OD2-NZ 2.92Å; L38-K90 HydrophobicContact CD1-CB 4.08Å; L38-K90 HydrophobicContact CG-CB 4.37Å; F75-K90 HydrophobicContact CB-CG 4.43Å; F75-K90 HydrophobicContact CD2-CD 4.21Å; F75-K90 HydrophobicContact CD2-CG 3.74Å; F75-K90 HydrophobicContact CE2-CD 4.46Å; F75-K90 HydrophobicContact CE2-CG 4.33Å; F75-K90 HydrophobicContact CG-CG 4.23Å; Y77-K90 HydrophobicContact CD1-CB 3.86Å; Y77-K90 HydrophobicContact CD1-CG 4.04Å; Y77-K90 HydrophobicContact CE1-CB 3.63Å; Y77-K90 HydrophobicContact CE1-CD 3.9Å; Y77-K90 HydrophobicContact CE1-CG 3.55Å
91I97.8Very high79.4Confident14 Ų1471.4 Ų71.47%0.07245%0.452CS..EExtended strand (participates in β ladder)trans-126.2131-174.8-56.8174.1000108.5V16 N18 F75 F76 V89V16-I91 HydrophobicContact CG1-CD1 3.97Å; V16-I91 HydrophobicContact CG1-CG1 4.36Å; N18-I91 HydrophobicContact CB-CG2 4.09Å; N18-I91 WeakPolarHBondContact O-CA 3.25Å; F75-I91 CarbonylContact C-O 3.46Å; F75-I91 WeakPolarHBondContact CA-O 3.35Å; F75-I91 VanDerWaalsContact CB-O 3.25Å; F75-I91 WeakPolarHBondContact CB-O 3.42Å; F76-I91 HydrophobicContact CD1-CB 4.12Å; F76-I91 HydrophobicContact CD1-CG2 4.41Å; F76-I91 WeakPolarHBondContact CD1-O 3.45Å; F76-I91 HydrophobicContact CE1-CB 3.62Å; F76-I91 HydrophobicContact CE1-CG2 3.54Å; F76-I91 HydrophobicContact CE2-CB 4.08Å; F76-I91 HydrophobicContact CE2-CD1 3.8Å; F76-I91 HydrophobicContact CE2-CG1 4.39Å; F76-I91 HydrophobicContact CZ-CB 3.6Å; F76-I91 HydrophobicContact CZ-CD1 3.73Å; F76-I91 HydrophobicContact CZ-CG1 4.22Å; F76-I91 HydrophobicContact CZ-CG2 3.63Å; F76-I91 PolarHBondContact N-O 2.8Å; F76-I91 PolarHBondContact O-N 2.86Å; V89-I91 HydrophobicContact CB-CD1 4.41Å; V89-I91 HydrophobicContact CB-CG1 4.26Å; V89-I91 HydrophobicContact CG1-CD1 4.21Å; V89-I91 HydrophobicContact CG1-CG1 3.74Å
92R97.3Very high77.5Confident155 Ų15574.1 Ų74.159%0.58547%0.467SS*.EExtended strand (participates in β ladder)trans-64.2138175.6-167.7178.3179.4169.90.5110.5N18 L20 G94N18-R92 HydrophobicContact CB-CB 4.26Å; N18-R92 PolarHBondContact O-N 3.1Å; L20-R92 HydrophobicContact CD1-CB 4.02Å; L20-R92 HydrophobicContact CD2-CB 4.29Å; L20-R92 HydrophobicContact CG-CB 4.23Å; R92-G94 PolarHBondContact O-N 2.75Å
93N93Very high75.9Confident13 Ų1380.9 Ų80.97%0.0749%0.493CS..  trans-64.1136.3172.3-78.4-10.8000109.6F72 D73 A74 F76 S95F72-N93 PolarHBondContact O-ND2 3.09Å; D73-N93 VanDerWaalsContact C-ND2 3.25Å; D73-N93 PolarHBondContact O-ND2 2.75Å; A74-N93 PolarHBondContact O-N 2.73Å; F76-N93 VanDerWaalsContact CD1-OD1 3.3Å; F76-N93 WeakPolarHBondContact CD1-OD1 3.17Å; N93-S95 PolarHBondContact O-N 2.83Å
94G77.9Confident74Confident80 Ų8078.1 Ų78.183%0.82550%0.496SS*.SBendtrans-72.571.5176.400000111.7R92R92-G94 PolarHBondContact O-N 2.75Å
95S62.8Low72.4Confident76 Ų7674.9 Ų74.953%0.53151%0.506SS..  trans-127.474.5163.959.50000107.7N93 S97N93-S95 PolarHBondContact O-N 2.83Å; S95-S97 PolarHBondContact O-N 2.95Å
96S51Low70.6Confident112 Ų11276.1 Ų76.178%0.78353%0.533SS*.  trans-67.776.6151.251.70000107.2S98S96-S98 PolarHBondContact O-N 2.94Å
97S48.6Very low69.3Low95 Ų9581.5 Ų81.566%0.66457%0.571SS**  trans-71.684.8156.156.80000105.9S95 S99S95-S97 PolarHBondContact O-N 2.95Å; S97-S99 PolarHBondContact O-N 3Å
98S43.9Very low67.7Low109 Ų10985.5 Ų85.576%0.76260%0.602SS**  trans-53.291.2145.444.60000106.7S96 A100S96-S98 PolarHBondContact O-N 2.94Å; S98-A100 VanDerWaalsContact C-N 3.26Å; S98-A100 PolarHBondContact O-N 2.93Å
99S49.1Very low65.9Low110 Ų11098 Ų9877%0.76966%0.66SS**  trans-67.997.8161-60.20000105.8S97 G101S97-S99 PolarHBondContact O-N 3Å; S99-G101 PolarHBondContact O-N 3.09Å; S99-G101 VanDerWaalsContact O-N 3.09Å
100A47.6Very low64.3Low96 Ų96102.4 Ų102.479%0.79369%0.69SS**  trans-55.4106.6163.900000108.2S98S98-A100 VanDerWaalsContact C-N 3.26Å; S98-A100 PolarHBondContact O-N 2.93Å
101G51Low62.5Low77 Ų77106.3 Ų106.379%0.79472%0.72SS**  trans-98.774.9160.600000107.8S99S99-G101 PolarHBondContact O-N 3.09Å; S99-G101 VanDerWaalsContact O-N 3.09Å
102D52.3Low60.6Low153 Ų153111.4 Ų111.482%0.81876%0.756SS**  trans-86.295164.5178.853.7000107.3
103E57.6Low58.4Low198 Ų198108.9 Ų108.993%0.92577%0.766SS**  trans-147.1120157.9-73.3-167.6123.100104.1
104G52.1Low56.2Low76 Ų76114.9 Ų114.978%0.78481%0.81SS**  cis127.196.226.500000107
105G55.9Low54.8Low86 Ų86117.2 Ų117.289%0.88781%0.809SS**  trans90.9131169.600000114.7
106G56.7Low54.2Low76 Ų76120.1 Ų120.178%0.78483%0.828SS**  cis126.2101.618.600000109.3
107S68.8Low54.5Low120 Ų120120.8 Ų120.884%0.83983%0.832SS**  trans73.1120.9157.1-159.90000120.5
108S63.2Low54.9Low111 Ų111122.9 Ų122.978%0.77685%0.846SS**  trans-65.1148.2161.1-47.30000112.7
109H61.3Low56Low263 Ų263124.2 Ų124.2100%1.21885%0.853SS**  trans-146.20150.9-114.5-101.9000107.6

Retrieved 109 of 109 residues in 49.4 ms (Link to these results)