A0A077ZEI7_TRITR Loading...

Small ribosomal subunit protein mS25

AlphaFold DB , UniProt , Accession A0A077ZEI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M54.8Low80.5Confident187 Ų187109 Ų10992%0.92156%0.563SS**  0107.70-58.1-169.2-154.900110.2F3 L4M1-F3 PolarHBondContact O-N 3.44Å; M1-L4 HydrophobicContact CB-CD1 4.3Å; M1-L4 HydrophobicContact SD-CD1 4.21Å
2P66.5Low81.4Confident88 Ų88111.1 Ų111.157%0.57156%0.559SS**G310 helixtrans-67.8-21.3-17726.4-32.9000113.8L4 R5P2-L4 VanDerWaalsContact C-N 3.34Å; P2-L4 PolarHBondContact O-N 3.15Å; P2-R5 PolarHBondContact O-N 3.23Å
3F67.9Low82.3Confident139 Ų139107.1 Ų107.161%0.6154%0.544SS*.G310 helixtrans-69-25.2-176.8-59.3-70.1000114.8M1 R5 P9M1-F3 PolarHBondContact O-N 3.44Å; F3-R5 VanDerWaalsContact C-N 3.3Å; F3-R5 PolarHBondContact O-N 2.7Å; F3-P9 WeakPolarHBondContact O-CB 3.05Å
4L76.3Confident83.2Confident126 Ų126106.9 Ų106.966%0.6654%0.544SS*.G310 helixtrans-82.6-3.3-178.2-67.1171.2000113.8M1 P2M1-L4 HydrophobicContact CB-CD1 4.3Å; M1-L4 HydrophobicContact SD-CD1 4.21Å; P2-L4 VanDerWaalsContact C-N 3.34Å; P2-L4 PolarHBondContact O-N 3.15Å
5R82.3Confident84Confident193 Ų193110.1 Ų110.173%0.72855%0.548SS*.  trans-87.6127.4-177-64.9-177.3176.8-179.8-1.5111.4P2 F3 R12P2-R5 PolarHBondContact O-N 3.23Å; F3-R5 VanDerWaalsContact C-N 3.3Å; F3-R5 PolarHBondContact O-N 2.7Å; R5-R12 PolarHBondContact O-NH1 2.71Å
6G85.4Confident84.7Confident57 Ų57105.5 Ų105.559%0.58852%0.523SS*.SBendtrans119168.2174.600000113.1M8G6-M8 VanDerWaalsContact C-N 3.31Å; G6-M8 PolarHBondContact O-N 2.78Å
7L86.6Confident85.4Confident158 Ų158101.2 Ų101.283%0.82750%0.502SS*.SBendtrans-61.2-36.4-174-71.9163.5000113.7
8M91.1Very high86Confident74 Ų74100.6 Ų100.637%0.36550%0.498SS..  trans-138.478.6-173.4-137.572.46700110.7G6 I10 R11 F50 W51G6-M8 VanDerWaalsContact C-N 3.31Å; G6-M8 PolarHBondContact O-N 2.78Å; M8-I10 HydrophobicContact CG-CG2 4.08Å; M8-I10 PolarHBondContact O-N 3.12Å; M8-R11 HydrophobicContact CB-CG 4.45Å; M8-R11 PolarHBondContact O-N 3.23Å; M8-F50 HydrophobicContact CB-CE1 4.28Å; M8-F50 HydrophobicContact CB-CZ 4.25Å; M8-W51 HydrophobicContact CB-CH2 4.47Å; M8-W51 HydrophobicContact CE-CH2 3.86Å; M8-W51 HydrophobicContact CE-CZ2 4.11Å; M8-W51 HydrophobicContact CG-CH2 3.49Å; M8-W51 VanDerWaalsContact CG-CH2 3.49Å; M8-W51 HydrophobicContact CG-CZ2 4.49Å; M8-W51 HydrophobicContact CG-CZ3 3.73Å; M8-W51 HydrophobicContact SD-CH2 4.04Å
9P91Very high86.5Confident47 Ų47101.8 Ų101.831%0.30550%0.5SS..G310 helixtrans-68-22.4-173.626.2-33.7000113.2F3 R11 R12F3-P9 WeakPolarHBondContact O-CB 3.05Å; P9-R11 PolarHBondContact O-N 3.02Å; P9-R11 VanDerWaalsContact O-N 3.1Å; P9-R12 WeakPolarHBondContact O-CB 3.33Å; P9-R12 PolarHBondContact O-N 3.1Å
10I91.3Very high86.9Confident98 Ų9897.1 Ų97.150%0.50348%0.478SS..G310 helixtrans-54.8-31.4177.8-164.6165.7000112.9M8 R12 T13 Y16M8-I10 HydrophobicContact CG-CG2 4.08Å; M8-I10 PolarHBondContact O-N 3.12Å; I10-R12 PolarHBondContact O-N 3.19Å; I10-R12 VanDerWaalsContact O-N 3.11Å; I10-T13 WeakPolarHBondContact O-CB 3.49Å; I10-T13 WeakPolarHBondContact O-CG2 3.5Å; I10-T13 PolarHBondContact O-N 2.99Å; I10-T13 VanDerWaalsContact O-N 3.08Å; I10-T13 PolarHBondContact O-OG1 3.44Å; I10-Y16 VanDerWaalsContact O-CB 3.3Å; I10-Y16 WeakPolarHBondContact O-CB 3.41Å
11R92.6Very high87.2Confident32 Ų3296.9 Ų96.912%0.12148%0.479CS..G310 helixtrans-63.7-17.4178.8-62.2-169.8-64.7119.80.5113.7M8 P9 Y16 F50 W51 E54M8-R11 HydrophobicContact CB-CG 4.45Å; M8-R11 PolarHBondContact O-N 3.23Å; P9-R11 PolarHBondContact O-N 3.02Å; P9-R11 VanDerWaalsContact O-N 3.1Å; R11-Y16 HydrophobicContact CB-CD1 4.2Å; R11-Y16 HydrophobicContact CB-CE1 4.11Å; R11-Y16 HydrophobicContact CG-CD1 4.43Å; R11-Y16 HydrophobicContact CG-CE1 3.96Å; R11-F50 WeakPolarHBondContact CD-O 3.35Å; R11-F50 PolarHBondContact NE-O 3.39Å; R11-F50 PolarHBondContact NH1-O 3.36Å; R11-F50 VanDerWaalsContact NH2-CE2 3.27Å; R11-W51 HydrophobicContact CG-CE3 3.9Å; R11-W51 HydrophobicContact CG-CZ3 3.96Å; R11-E54 VanDerWaalsContact NH1-CD 3.34Å; R11-E54 IonicContact NH1-OE1 2.74Å; R11-E54 PolarHBondContact NH1-OE1 3.04Å; R11-E54 IonicContact NH1-OE2 2.84Å; R11-E54 PolarHBondContact NH1-OE2 3.13Å
12R91.2Very high89.2Confident134 Ų13488.3 Ų88.351%0.50644%0.437SS..G310 helixtrans-97.511.7179-59.9-178.1177.21604.3113R5 P9 I10R5-R12 PolarHBondContact O-NH1 2.71Å; P9-R12 WeakPolarHBondContact O-CB 3.33Å; P9-R12 PolarHBondContact O-N 3.1Å; I10-R12 PolarHBondContact O-N 3.19Å; I10-R12 VanDerWaalsContact O-N 3.11Å
13T93.3Very high90.6Very high59 Ų5987.8 Ų87.836%0.36242%0.424SS..SBendtrans-93142.4176.563.10000110.3I10 Y15 Y16 L17I10-T13 WeakPolarHBondContact O-CB 3.49Å; I10-T13 WeakPolarHBondContact O-CG2 3.5Å; I10-T13 PolarHBondContact O-N 2.99Å; I10-T13 VanDerWaalsContact O-N 3.08Å; I10-T13 PolarHBondContact O-OG1 3.44Å; T13-Y15 VanDerWaalsContact C-N 3.26Å; T13-Y15 PolarHBondContact O-N 2.91Å; T13-Y16 PolarHBondContact O-N 3.04Å; T13-Y16 VanDerWaalsContact O-N 3.08Å; T13-Y16 WeakPolarHBondContact OG1-CB 3.35Å; T13-Y16 PolarHBondContact OG1-N 2.96Å; T13-L17 PolarHBondContact O-N 3.38Å; T13-L17 VanDerWaalsContact O-N 3.16Å
14L94.6Very high92Very high104 Ų10481.4 Ų81.455%0.54540%0.396SS..Hα-helixtrans-54.8-45.2176.6-173.9109.7000111.2Y16 L17 E18L14-Y16 VanDerWaalsContact C-N 3.25Å; L14-Y16 PolarHBondContact O-N 3.2Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-E18 HydrophobicContact CD2-CG 4.49Å; L14-E18 VanDerWaalsContact CD2-OE1 3.3Å; L14-E18 WeakPolarHBondContact CD2-OE1 3.19Å; L14-E18 HydrophobicContact CG-CG 4.33Å; L14-E18 WeakPolarHBondContact O-CG 3.33Å; L14-E18 PolarHBondContact O-N 3.1Å
15Y95.4Very high92.9Very high155 Ų15580.3 Ų80.361%0.60838%0.384SS*.Hα-helixtrans-55.3-37.8177.2-178.4-105.6000113.4T13 K19T13-Y15 VanDerWaalsContact C-N 3.26Å; T13-Y15 PolarHBondContact O-N 2.91Å; Y15-K19 HydrophobicContact CE1-CD 4.2Å; Y15-K19 VanDerWaalsContact CZ-NZ 3.29Å; Y15-K19 WeakPolarHBondContact O-CG 3.49Å; Y15-K19 PolarHBondContact O-N 3.14Å; Y15-K19 WeakPolarHBondContact OH-CE 3.48Å; Y15-K19 PolarHBondContact OH-NZ 2.96Å
16Y95.4Very high93.4Very high37 Ų3776.5 Ų76.515%0.14538%0.378CS..Hα-helixtrans-71.7-42.7176.2-176.2-95.7000112I10 R11 T13 L14 E18 K19 W51 Q55I10-Y16 VanDerWaalsContact O-CB 3.3Å; I10-Y16 WeakPolarHBondContact O-CB 3.41Å; R11-Y16 HydrophobicContact CB-CD1 4.2Å; R11-Y16 HydrophobicContact CB-CE1 4.11Å; R11-Y16 HydrophobicContact CG-CD1 4.43Å; R11-Y16 HydrophobicContact CG-CE1 3.96Å; T13-Y16 PolarHBondContact O-N 3.04Å; T13-Y16 VanDerWaalsContact O-N 3.08Å; T13-Y16 WeakPolarHBondContact OG1-CB 3.35Å; T13-Y16 PolarHBondContact OG1-N 2.96Å; L14-Y16 VanDerWaalsContact C-N 3.25Å; L14-Y16 PolarHBondContact O-N 3.2Å; Y16-E18 VanDerWaalsContact C-N 3.32Å; Y16-E18 PolarHBondContact O-N 3.49Å; Y16-K19 PolarHBondContact O-N 3.33Å; Y16-W51 WeakPolarHBondContact CE1-O 3.27Å; Y16-W51 PolarHBondContact OH-O 3.43Å; Y16-Q55 HydrophobicContact CD1-CG 4.06Å; Y16-Q55 HydrophobicContact CE1-CG 3.78Å; Y16-Q55 PolarHBondContact O-NE2 3.46Å
17L96.2Very high93.9Very high32 Ų3278.2 Ų78.217%0.16837%0.37CS..Hα-helixtrans-64-38.4179.1-63.7176000112T13 L14 K19 G20 E54 Y58 K59T13-L17 PolarHBondContact O-N 3.38Å; T13-L17 VanDerWaalsContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.12Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.01Å; L17-G20 PolarHBondContact O-N 3.44Å; L17-E54 HydrophobicContact CD2-CB 3.78Å; L17-Y58 HydrophobicContact CB-CD1 3.71Å; L17-Y58 HydrophobicContact CB-CD2 4.19Å; L17-Y58 HydrophobicContact CB-CE1 4.15Å; L17-Y58 HydrophobicContact CB-CG 3.73Å; L17-Y58 HydrophobicContact CD1-CD2 4.01Å; L17-Y58 HydrophobicContact CD1-CE2 4.48Å; L17-Y58 HydrophobicContact CD1-CG 4.27Å; L17-Y58 HydrophobicContact CG-CG 4.48Å; L17-K59 WeakPolarHBondContact O-CE 3.25Å
18E95.6Very high94.4Very high91 Ų9170.8 Ų70.843%0.42533%0.332SS..Hα-helixtrans-67.1-26.2178.5-75.9179.816200114L14 Y16 G20 Y58 K59L14-E18 HydrophobicContact CD2-CG 4.49Å; L14-E18 VanDerWaalsContact CD2-OE1 3.3Å; L14-E18 WeakPolarHBondContact CD2-OE1 3.19Å; L14-E18 HydrophobicContact CG-CG 4.33Å; L14-E18 WeakPolarHBondContact O-CG 3.33Å; L14-E18 PolarHBondContact O-N 3.1Å; Y16-E18 VanDerWaalsContact C-N 3.32Å; Y16-E18 PolarHBondContact O-N 3.49Å; E18-G20 PolarHBondContact O-N 3.22Å; E18-Y58 HydrophobicContact CG-CE1 3.88Å; E18-K59 WeakPolarHBondContact O-CE 3.47Å; E18-K59 PolarHBondContact O-NZ 3.12Å
19K95.9Very high94.7Very high123 Ų12371.2 Ų71.254%0.53533%0.331SS..THydrogen-bonded Turntrans-73.1-7.9177.1-79.6-173.4176.1-175.50114.7Y15 Y16 L17 D21Y15-K19 HydrophobicContact CE1-CD 4.2Å; Y15-K19 VanDerWaalsContact CZ-NZ 3.29Å; Y15-K19 WeakPolarHBondContact O-CG 3.49Å; Y15-K19 PolarHBondContact O-N 3.14Å; Y15-K19 WeakPolarHBondContact OH-CE 3.48Å; Y15-K19 PolarHBondContact OH-NZ 2.96Å; Y16-K19 PolarHBondContact O-N 3.33Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.01Å; K19-D21 PolarHBondContact O-N 2.96Å
20G94.5Very high95Very high7 Ų771.8 Ų71.87%0.07233%0.331CS..  trans-59.6129.617100000110.9L17 E18 K59L17-G20 PolarHBondContact O-N 3.44Å; E18-G20 PolarHBondContact O-N 3.22Å; G20-K59 WeakPolarHBondContact O-CE 3.35Å
21D93.9Very high95.3Very high93 Ų9367.1 Ų67.150%0.49731%0.307SS..  trans-104.9-10.9-177.958-16.9000113K19 Y23 H100K19-D21 PolarHBondContact O-N 2.96Å; D21-Y23 WeakPolarHBondContact O-CD2 3.43Å; D21-Y23 PolarHBondContact O-N 3.48Å; D21-H100 IonicContact OD1-CE1 2.92Å; D21-H100 PolarHBondContact OD1-CE1 3.15Å; D21-H100 IonicContact OD1-NE2 3.32Å; D21-H100 PolarHBondContact OD1-NE2 2.64Å; D21-H100 IonicContact OD2-CE1 3.15Å; D21-H100 PolarHBondContact OD2-CE1 3.42Å
22I95.9Very high95.5Very high7 Ų766 Ų664%0.03630%0.304CS..  trans-81.6104.6176.8-51.5-175.9000111L24 F48 L56 N60 H100 L103I22-L24 HydrophobicContact CG2-CD2 4.17Å; I22-F48 HydrophobicContact CD1-CE2 4.43Å; I22-L56 HydrophobicContact CB-CD1 3.83Å; I22-L56 HydrophobicContact CG2-CD1 3.52Å; I22-N60 PolarHBondContact O-ND2 3.02Å; I22-N60 VanDerWaalsContact O-ND2 3.08Å; I22-H100 WeakPolarHBondContact CD1-NE2 3.36Å; I22-L103 HydrophobicContact CD1-CB 4.48Å; I22-L103 HydrophobicContact CD1-CD2 4Å; I22-L103 HydrophobicContact CD1-CG 4.41Å; I22-L103 HydrophobicContact CG2-CD2 4.48Å
23Y96.4Very high95.8Very high78 Ų7859.7 Ų59.731%0.30628%0.28SS..PPolyproline II helixtrans-102.4118163.4-66.6-91.7000108.6D21 K59 G108 K109 L114D21-Y23 WeakPolarHBondContact O-CD2 3.43Å; D21-Y23 PolarHBondContact O-N 3.48Å; Y23-K59 HydrophobicContact CD1-CB 4.3Å; Y23-K59 HydrophobicContact CE1-CB 4.17Å; Y23-K59 HydrophobicContact CE1-CD 3.89Å; Y23-K59 HydrophobicContact CE1-CG 4.43Å; Y23-K59 PolarHBondContact OH-NZ 2.96Å; Y23-G108 CarbonylContact O-C 3.49Å; Y23-G108 VanDerWaalsContact O-CA 3.29Å; Y23-G108 WeakPolarHBondContact O-CA 3.33Å; Y23-K109 PolarHBondContact O-N 3.25Å; Y23-L114 HydrophobicContact CD1-CD2 4.43Å; Y23-L114 HydrophobicContact CD2-CD1 3.98Å; Y23-L114 HydrophobicContact CD2-CD2 3.85Å; Y23-L114 HydrophobicContact CG-CD2 3.79Å
24L96.7Very high95.9Very high5 Ų556.9 Ų56.93%0.02626%0.263CS..BIsolated β-bridgetrans-72.6152.4177.9-62.4172.5000110.3I22 V28 L31 L56 N60 V63 L107 K109I22-L24 HydrophobicContact CG2-CD2 4.17Å; L24-V28 HydrophobicContact CB-CB 4.38Å; L24-V28 HydrophobicContact CD1-CG1 4.23Å; L24-L31 HydrophobicContact CD1-CD1 4.39Å; L24-L31 HydrophobicContact CD2-CD1 4.42Å; L24-L56 HydrophobicContact CD1-CD1 4.33Å; L24-L56 HydrophobicContact CD2-CD1 4.4Å; L24-L56 HydrophobicContact CG-CD1 4.21Å; L24-N60 WeakPolarHBondContact CB-OD1 3.37Å; L24-N60 HydrophobicContact CD1-CB 4.29Å; L24-N60 PolarHBondContact N-OD1 3.27Å; L24-V63 HydrophobicContact CD1-CB 4.31Å; L24-V63 HydrophobicContact CD1-CG1 3.93Å; L24-V63 HydrophobicContact CD1-CG2 4.13Å; L24-L107 WeakPolarHBondContact CA-O 3.3Å; L24-L107 HydrophobicContact CD2-CB 3.85Å; L24-K109 WeakPolarHBondContact O-CE 3.43Å
25R95.2Very high95.9Very high103 Ų10353 Ų5339%0.38924%0.242SC..PPolyproline II helixtrans-61.2148.6169.2-67.1174.1-169.1-168.36.3110.2E27 V28 I106 L107 G108 K109R25-E27 PolarHBondContact O-N 3.45Å; R25-E27 VanDerWaalsContact O-N 3.15Å; R25-V28 HydrophobicContact CB-CG2 4.47Å; R25-V28 PolarHBondContact O-N 3.43Å; R25-I106 PolarHBondContact NH2-O 3.36Å; R25-L107 WeakPolarHBondContact CG-O 3.22Å; R25-L107 PolarHBondContact N-O 3.33Å; R25-G108 PolarHBondContact NE-O 2.74Å; R25-K109 HydrophobicContact CG-CG 4.5Å
26N93.7Very high95.9Very high113 Ų11346.7 Ų46.760%0.60422%0.219SC*.THydrogen-bonded Turntrans-63.3-23.2-177.1-60.7-11.8000113.1V28 K29 K109N26-V28 VanDerWaalsContact C-N 3.28Å; N26-V28 PolarHBondContact O-N 3.39Å; N26-K29 PolarHBondContact O-NZ 3.3Å; N26-K109 WeakPolarHBondContact OD1-CE 3.41Å; N26-K109 PolarHBondContact OD1-NZ 2.97Å
27E95.7Very high95.7Very high92 Ų9245.9 Ų45.943%0.4322%0.218SC..THydrogen-bonded Turntrans-66-28.5176-65.4162.5-16700112.2R25 K29 L81 E82R25-E27 PolarHBondContact O-N 3.45Å; R25-E27 VanDerWaalsContact O-N 3.15Å; E27-K29 PolarHBondContact O-N 3.04Å; E27-L81 HydrophobicContact CB-CD2 4.21Å; E27-L81 CarbonylContact O-C 3.41Å; E27-L81 VanDerWaalsContact O-CA 3.25Å; E27-L81 WeakPolarHBondContact O-CA 3.29Å; E27-E82 PolarHBondContact O-N 3.42Å
28V96.9Very high95.4Very high3 Ų351.1 Ų51.12%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-74.1119.4-178.1-176.30000109.5L24 R25 N26 V63 A79 L81 L107L24-V28 HydrophobicContact CB-CB 4.38Å; L24-V28 HydrophobicContact CD1-CG1 4.23Å; R25-V28 HydrophobicContact CB-CG2 4.47Å; R25-V28 PolarHBondContact O-N 3.43Å; N26-V28 VanDerWaalsContact C-N 3.28Å; N26-V28 PolarHBondContact O-N 3.39Å; V28-V63 HydrophobicContact CG1-CG1 4.12Å; V28-V63 WeakPolarHBondContact O-CG2 3.4Å; V28-A79 HydrophobicContact CG1-CB 4.23Å; V28-L81 HydrophobicContact CB-CD2 4.31Å; V28-L81 HydrophobicContact CG2-CD2 3.67Å; V28-L107 HydrophobicContact CG2-CB 4.39Å; V28-L107 HydrophobicContact CG2-CD2 4.06Å
29K97.2Very high95.2Very high83 Ų8350 Ų5036%0.36124%0.237SC..EExtended strand (participates in β ladder)trans-105.4-41178.1-59.4-52.5-174.8-1540113N26 E27 V63 Q64 F80 E82N26-K29 PolarHBondContact O-NZ 3.3Å; E27-K29 PolarHBondContact O-N 3.04Å; K29-V63 WeakPolarHBondContact O-CA 3.37Å; K29-V63 WeakPolarHBondContact O-CG1 3.39Å; K29-Q64 PolarHBondContact O-N 2.81Å; K29-F80 PolarHBondContact N-O 3.33Å; K29-E82 VanDerWaalsContact CE-CD 3.45Å; K29-E82 WeakPolarHBondContact CE-OE2 3.2Å; K29-E82 HydrophobicContact CG-CB 4.44Å; K29-E82 IonicContact NZ-OE1 2.64Å; K29-E82 IonicContact NZ-OE2 3Å; K29-E82 PolarHBondContact NZ-OE2 2.87Å
30I97.8Very high95Very high58 Ų5847.2 Ų47.230%0.29724%0.243SC..EExtended strand (participates in β ladder)trans-128.9132.7-178.5-52170.3000108T32 Q64 A79 F80I30-T32 HydrophobicContact CG2-CG2 4.01Å; I30-Q64 WeakPolarHBondContact CA-O 3.4Å; I30-Q64 HydrophobicContact CG1-CB 4.36Å; I30-A79 CarbonylContact O-C 3.53Å; I30-A79 WeakPolarHBondContact O-CA 3.33Å; I30-F80 HydrophobicContact CB-CB 4.11Å; I30-F80 HydrophobicContact CB-CD2 3.87Å; I30-F80 HydrophobicContact CB-CG 4.37Å; I30-F80 HydrophobicContact CG2-CD2 3.99Å; I30-F80 PolarHBondContact N-O 2.72Å; I30-F80 PolarHBondContact O-N 2.97Å
31L97.7Very high95Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-127.3120.2172.8-175.7136.2000109.5L24 V33 W53 L56 V63 Q64 L65 V66 I77 A79 L103 L107L24-L31 HydrophobicContact CD1-CD1 4.39Å; L24-L31 HydrophobicContact CD2-CD1 4.42Å; L31-V33 HydrophobicContact CD2-CG2 3.96Å; L31-W53 HydrophobicContact CD2-CH2 4.03Å; L31-W53 HydrophobicContact CD2-CZ3 3.94Å; L31-L56 HydrophobicContact CD2-CD2 4.08Å; L31-V63 HydrophobicContact CB-CG1 4.39Å; L31-Q64 PolarHBondContact N-O 3.02Å; L31-L65 HydrophobicContact CB-CD2 3.69Å; L31-L65 HydrophobicContact CD2-CD2 3.83Å; L31-L65 HydrophobicContact CG-CD2 4.34Å; L31-L65 WeakPolarHBondContact O-CA 3.48Å; L31-V66 PolarHBondContact O-N 3.47Å; L31-I77 HydrophobicContact CD1-CG2 3.99Å; L31-I77 HydrophobicContact CD2-CG2 4.07Å; L31-I77 HydrophobicContact CG-CG2 3.88Å; L31-A79 HydrophobicContact CD1-CB 4.32Å; L31-L103 HydrophobicContact CD1-CD1 3.85Å; L31-L107 HydrophobicContact CD1-CD1 3.75Å
32T97.1Very high95Very high9 Ų943.6 Ų43.66%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-109.9138.3-179.775.30000110I30 V66 F68 I77 Q78 F80I30-T32 HydrophobicContact CG2-CG2 4.01Å; T32-V66 CarbonylContact C-O 3.56Å; T32-V66 VanDerWaalsContact CA-O 3.22Å; T32-V66 WeakPolarHBondContact CA-O 3.09Å; T32-V66 HydrophobicContact CG2-CB 4.17Å; T32-F68 HydrophobicContact CG2-CE2 4.07Å; T32-I77 CarbonylContact O-C 3.58Å; T32-I77 VanDerWaalsContact O-CA 3.29Å; T32-I77 WeakPolarHBondContact O-CA 3.5Å; T32-I77 WeakPolarHBondContact O-CG2 3.45Å; T32-Q78 PolarHBondContact N-O 3.11Å; T32-Q78 PolarHBondContact O-N 2.82Å; T32-Q78 WeakPolarHBondContact OG1-CB 3.35Å; T32-Q78 PolarHBondContact OG1-O 3.1Å; T32-F80 HydrophobicContact CG2-CD2 4.48Å; T32-F80 HydrophobicContact CG2-CE2 3.88Å
33V96.4Very high95Very high1 Ų148.8 Ų48.81%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-125.2124.6174172.70000109.8L31 F35 V49 W53 V66 K67 F68 I77L31-V33 HydrophobicContact CD2-CG2 3.96Å; V33-F35 HydrophobicContact CG1-CD1 4.23Å; V33-V49 HydrophobicContact CB-CG2 4.45Å; V33-V49 HydrophobicContact CG1-CG2 3.72Å; V33-W53 HydrophobicContact CB-CH2 3.9Å; V33-W53 HydrophobicContact CB-CZ3 3.81Å; V33-W53 HydrophobicContact CG2-CE3 4.45Å; V33-W53 HydrophobicContact CG2-CH2 3.73Å; V33-W53 HydrophobicContact CG2-CZ3 3.36Å; V33-V66 PolarHBondContact N-O 2.95Å; V33-K67 CarbonylContact O-C 3.48Å; V33-K67 VanDerWaalsContact O-CA 3.32Å; V33-K67 WeakPolarHBondContact O-CA 3.41Å; V33-F68 PolarHBondContact O-N 3.32Å; V33-I77 HydrophobicContact CG2-CB 4.25Å; V33-I77 HydrophobicContact CG2-CD1 3.92Å; V33-I77 HydrophobicContact CG2-CG1 3.78Å; V33-I77 HydrophobicContact CG2-CG2 3.99Å
34T96.2Very high95Very high0 Ų045.2 Ų45.20%023%0.231CC..EExtended strand (participates in β ladder)trans-107.1127.7175.7-57.50000109.3F68 F72 P75 Y76T34-F68 WeakPolarHBondContact CA-O 3.3Å; T34-F68 HydrophobicContact CG2-CB 4.33Å; T34-F72 HydrophobicContact CG2-CB 4.18Å; T34-P75 VanDerWaalsContact O-CA 3.22Å; T34-P75 WeakPolarHBondContact O-CA 3.3Å; T34-P75 WeakPolarHBondContact O-CB 3.32Å; T34-Y76 HydrophobicContact CG2-CE1 4.04Å; T34-Y76 PolarHBondContact N-O 2.68Å; T34-Y76 PolarHBondContact O-N 3.38Å
35F95.2Very high94.9Very high23 Ų2345 Ų4510%0.10123%0.23CC..EExtended strand (participates in β ladder)trans-145.1153.1176.567.7-84.1000111.7V33 S42 A45 R46 V49 K67 F68 R70V33-F35 HydrophobicContact CG1-CD1 4.23Å; F35-S42 WeakPolarHBondContact CA-OG 3.35Å; F35-S42 WeakPolarHBondContact CB-OG 3.47Å; F35-A45 HydrophobicContact CB-CB 3.97Å; F35-R46 HydrophobicContact CD2-CB 4.08Å; F35-R46 HydrophobicContact CD2-CG 4.36Å; F35-R46 HydrophobicContact CE2-CB 4.47Å; F35-R46 HydrophobicContact CE2-CG 4.29Å; F35-V49 HydrophobicContact CD1-CG2 3.93Å; F35-V49 HydrophobicContact CE1-CB 4.12Å; F35-V49 HydrophobicContact CE1-CG1 3.83Å; F35-V49 HydrophobicContact CE1-CG2 3.85Å; F35-V49 HydrophobicContact CZ-CB 4.41Å; F35-V49 HydrophobicContact CZ-CG1 4.02Å; F35-K67 HydrophobicContact CE1-CB 4.27Å; F35-F68 PolarHBondContact N-O 3.16Å; F35-F68 VanDerWaalsContact N-O 3.08Å; F35-R70 PolarHBondContact O-N 3.45Å; F35-R70 VanDerWaalsContact O-N 3.09Å
36N94.3Very high94.9Very high23 Ų2345.1 Ų45.112%0.12323%0.231CC..  trans-108.2120.9176.9-166.9-23.6000109.8E38 M39 S42N36-E38 PolarHBondContact O-N 3.08Å; N36-E38 PolarHBondContact OD1-N 2.89Å; N36-E38 VanDerWaalsContact OD1-N 3.1Å; N36-M39 HydrophobicContact CB-CB 4.22Å; N36-M39 HydrophobicContact CB-CG 4.17Å; N36-M39 HydrophobicContact CB-SD 4.23Å; N36-M39 WeakPolarHBondContact ND2-CG 3.11Å; N36-M39 PolarHBondContact ND2-SD 3.34Å; N36-S42 PolarHBondContact N-OG 3.4Å; N36-S42 VanDerWaalsContact O-CB 3.3Å; N36-S42 WeakPolarHBondContact O-CB 3.14Å; N36-S42 PolarHBondContact O-OG 3.08Å
37P90.9Very high95Very high20 Ų2042.7 Ų42.713%0.1322%0.216CC..SBendtrans-65.9-22.4179.729.6-40.9000114.4R46 R69 R70P37-R46 PolarHBondContact O-NH1 2.79Å; P37-R69 HydrophobicContact CG-CG 4.19Å; P37-R70 HydrophobicContact CG-CG 3.92Å
38E90.7Very high95.1Very high142 Ų14238.3 Ų38.366%0.66420%0.195SC*.SBendtrans-96.8-31.2-172.9-74.3166-155.600113N36 R70N36-E38 PolarHBondContact O-N 3.08Å; N36-E38 PolarHBondContact OD1-N 2.89Å; N36-E38 VanDerWaalsContact OD1-N 3.1Å; E38-R70 IonicContact OE1-CZ 3.46Å; E38-R70 VanDerWaalsContact OE1-CZ 3.28Å; E38-R70 IonicContact OE1-NE 3.28Å; E38-R70 PolarHBondContact OE1-NE 3.34Å; E38-R70 IonicContact OE1-NH2 3.04Å; E38-R70 PolarHBondContact OE1-NH2 2.88Å
39M91.1Very high95Very high68 Ų6838.6 Ų38.634%0.33520%0.197SC..  trans-81.5135.4-174.7-61.3179.365.900111.7N36 N41 S42 P73N36-M39 HydrophobicContact CB-CB 4.22Å; N36-M39 HydrophobicContact CB-CG 4.17Å; N36-M39 HydrophobicContact CB-SD 4.23Å; N36-M39 WeakPolarHBondContact ND2-CG 3.11Å; N36-M39 PolarHBondContact ND2-SD 3.34Å; M39-N41 VanDerWaalsContact C-N 3.31Å; M39-N41 WeakPolarHBondContact CB-OD1 3.41Å; M39-N41 PolarHBondContact O-N 3.06Å; M39-S42 PolarHBondContact O-N 3.22Å; M39-P73 HydrophobicContact CE-CB 3.94Å; M39-P73 WeakPolarHBondContact CE-O 3.47Å; M39-P73 VanDerWaalsContact SD-CA 3.6Å; M39-P73 HydrophobicContact SD-CB 3.86Å; M39-P73 VanDerWaalsContact SD-O 3.4Å
40G92.1Very high94.9Very high64 Ų6438 Ų3866%0.6620%0.195SC*.G310 helixtrans-64.3-33.7-178.800000113.5S42 K43G40-S42 PolarHBondContact O-N 3.03Å; G40-K43 VanDerWaalsContact O-CB 3.24Å; G40-K43 WeakPolarHBondContact O-CB 3.38Å; G40-K43 PolarHBondContact O-N 2.86Å; G40-K43 VanDerWaalsContact O-N 3.11Å
41N93.4Very high94.8Very high23 Ų2338.6 Ų38.612%0.12319%0.193CC..G310 helixtrans-62.6-22.6178.269.4-23.5000113.8M39 P73 D92 N93M39-N41 VanDerWaalsContact C-N 3.31Å; M39-N41 WeakPolarHBondContact CB-OD1 3.41Å; M39-N41 PolarHBondContact O-N 3.06Å; N41-P73 PolarHBondContact ND2-O 3.04Å; N41-P73 VanDerWaalsContact ND2-O 3.13Å; N41-D92 VanDerWaalsContact CB-OD1 3.23Å; N41-D92 WeakPolarHBondContact CB-OD1 3.13Å; N41-D92 PolarHBondContact ND2-OD1 3.08Å; N41-N93 VanDerWaalsContact CA-OD1 3.24Å; N41-N93 WeakPolarHBondContact CA-OD1 3.24Å; N41-N93 WeakPolarHBondContact CB-OD1 3.35Å; N41-N93 PolarHBondContact O-N 2.83Å
42S94.6Very high94.7Very high0 Ų039.6 Ų39.60%020%0.198CC..G310 helixtrans-94.57.9-179.6-161.10000113.2F35 N36 M39 G40 G44 A45 R46 P75F35-S42 WeakPolarHBondContact CA-OG 3.35Å; F35-S42 WeakPolarHBondContact CB-OG 3.47Å; N36-S42 PolarHBondContact N-OG 3.4Å; N36-S42 VanDerWaalsContact O-CB 3.3Å; N36-S42 WeakPolarHBondContact O-CB 3.14Å; N36-S42 PolarHBondContact O-OG 3.08Å; M39-S42 PolarHBondContact O-N 3.22Å; G40-S42 PolarHBondContact O-N 3.03Å; S42-G44 PolarHBondContact O-N 3.42Å; S42-A45 PolarHBondContact O-N 3.37Å; S42-R46 WeakPolarHBondContact O-CB 3.03Å; S42-R46 PolarHBondContact O-N 3.48Å; S42-P75 WeakPolarHBondContact OG-CB 3.18Å
43K95.6Very high94.7Very high116 Ų11640 Ų4050%0.50420%0.198SC..Hα-helixtrans-56.1-48.4-178.6-175-177.6175.2-173.10112.2G40 R46 E47G40-K43 VanDerWaalsContact O-CB 3.24Å; G40-K43 WeakPolarHBondContact O-CB 3.38Å; G40-K43 PolarHBondContact O-N 2.86Å; G40-K43 VanDerWaalsContact O-N 3.11Å; K43-R46 PolarHBondContact O-N 3.34Å; K43-E47 WeakPolarHBondContact CE-OE1 3.44Å; K43-E47 WeakPolarHBondContact O-CG 3.49Å; K43-E47 PolarHBondContact O-N 3.33Å
44G95.6Very high94.6Very high3 Ų343.1 Ų43.13%0.03121%0.213CC..Hα-helixtrans-66.2-40.218000000113.4S42 R46 E47 F48 Y94S42-G44 PolarHBondContact O-N 3.42Å; G44-R46 PolarHBondContact O-N 3.5Å; G44-E47 PolarHBondContact O-N 2.84Å; G44-F48 VanDerWaalsContact O-CB 3.29Å; G44-F48 WeakPolarHBondContact O-CB 3.38Å; G44-F48 PolarHBondContact O-N 3.45Å; G44-Y94 VanDerWaalsContact CA-O 3.22Å; G44-Y94 WeakPolarHBondContact CA-O 3.35Å; G44-Y94 PolarHBondContact N-O 3.32Å
45A95.9Very high94.7Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-62.8-42.6175.400000111.8F35 S42 F48 V49 P75 L91F35-A45 HydrophobicContact CB-CB 3.97Å; S42-A45 PolarHBondContact O-N 3.37Å; A45-F48 PolarHBondContact O-N 2.98Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 2.96Å; A45-P75 HydrophobicContact CB-CB 3.89Å; A45-L91 HydrophobicContact CB-CD1 3.88Å
46R95.2Very high94.7Very high106 Ų10642.9 Ų42.940%0.421%0.212SC..Hα-helixtrans-62.9-44.2175.8-178.8177.564.2-179.52111.9F35 P37 S42 K43 G44 V49 F50F35-R46 HydrophobicContact CD2-CB 4.08Å; F35-R46 HydrophobicContact CD2-CG 4.36Å; F35-R46 HydrophobicContact CE2-CB 4.47Å; F35-R46 HydrophobicContact CE2-CG 4.29Å; P37-R46 PolarHBondContact O-NH1 2.79Å; S42-R46 WeakPolarHBondContact O-CB 3.03Å; S42-R46 PolarHBondContact O-N 3.48Å; K43-R46 PolarHBondContact O-N 3.34Å; G44-R46 PolarHBondContact O-N 3.5Å; R46-V49 PolarHBondContact O-N 2.83Å; R46-F50 WeakPolarHBondContact O-CB 3.49Å; R46-F50 PolarHBondContact O-N 2.88Å
47E96Very high94.9Very high62 Ų6245.1 Ų45.129%0.2922%0.222SC..Hα-helixtrans-66.9-39.8176.8-74.5177.7-170.300111.7K43 G44 F50 W51 R96K43-E47 WeakPolarHBondContact CE-OE1 3.44Å; K43-E47 WeakPolarHBondContact O-CG 3.49Å; K43-E47 PolarHBondContact O-N 3.33Å; G44-E47 PolarHBondContact O-N 2.84Å; E47-F50 PolarHBondContact O-N 3.32Å; E47-W51 PolarHBondContact O-N 3.4Å; E47-R96 HydrophobicContact CB-CB 4.03Å; E47-R96 HydrophobicContact CB-CG 4.28Å
48F96.3Very high95.2Very high1 Ų148.8 Ų48.80%0.00423%0.234CC..Hα-helixtrans-59.6-48.7174.1178-93.7000111.2I22 G44 A45 F50 W51 H52 W53 V99 H100 L103I22-F48 HydrophobicContact CD1-CE2 4.43Å; G44-F48 VanDerWaalsContact O-CB 3.29Å; G44-F48 WeakPolarHBondContact O-CB 3.38Å; G44-F48 PolarHBondContact O-N 3.45Å; A45-F48 PolarHBondContact O-N 2.98Å; F48-F50 PolarHBondContact O-N 3.46Å; F48-W51 PolarHBondContact O-N 3.23Å; F48-H52 HydrophobicContact CD2-CB 3.88Å; F48-H52 AromaticContact CD2-CD2 3.77Å; F48-H52 HydrophobicContact CE2-CB 3.62Å; F48-H52 HydrophobicContact CG-CB 4.48Å; F48-H52 HydrophobicContact CZ-CB 4.03Å; F48-H52 PolarHBondContact O-N 2.99Å; F48-W53 HydrophobicContact CE1-CE3 4.46Å; F48-W53 PolarHBondContact O-N 3.48Å; F48-V99 HydrophobicContact CB-CB 4.22Å; F48-V99 HydrophobicContact CB-CG1 3.91Å; F48-V99 HydrophobicContact CD1-CG1 3.93Å; F48-V99 HydrophobicContact CD2-CB 4.2Å; F48-V99 HydrophobicContact CD2-CG1 3.8Å; F48-V99 HydrophobicContact CE1-CG1 4.45Å; F48-V99 HydrophobicContact CE2-CG1 4.35Å; F48-V99 HydrophobicContact CG-CB 4.23Å; F48-V99 HydrophobicContact CG-CG1 3.58Å; F48-H100 HydrophobicContact CD2-CB 4.18Å; F48-H100 HydrophobicContact CE2-CB 4.04Å; F48-L103 HydrophobicContact CE1-CD2 4.23Å; F48-L103 HydrophobicContact CE2-CD2 4.48Å; F48-L103 HydrophobicContact CZ-CD2 3.62Å
49V95.9Very high95.4Very high9 Ų943.9 Ų43.96%0.05521%0.21CC..Hα-helixtrans-62.9-32.8176.3172.70000111.7V33 F35 A45 R46 W53 K67V33-V49 HydrophobicContact CB-CG2 4.45Å; V33-V49 HydrophobicContact CG1-CG2 3.72Å; F35-V49 HydrophobicContact CD1-CG2 3.93Å; F35-V49 HydrophobicContact CE1-CB 4.12Å; F35-V49 HydrophobicContact CE1-CG1 3.83Å; F35-V49 HydrophobicContact CE1-CG2 3.85Å; F35-V49 HydrophobicContact CZ-CB 4.41Å; F35-V49 HydrophobicContact CZ-CG1 4.02Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 2.96Å; R46-V49 PolarHBondContact O-N 2.83Å; V49-W53 HydrophobicContact CG1-CB 4.34Å; V49-W53 HydrophobicContact CG1-CD2 4.46Å; V49-W53 HydrophobicContact CG1-CG 4.31Å; V49-W53 HydrophobicContact CG2-CE3 4.21Å; V49-W53 WeakPolarHBondContact O-CB 3.28Å; V49-K67 HydrophobicContact CG1-CD 4.04Å
50F95.5Very high95.7Very high70 Ų7041.3 Ų41.331%0.30720%0.198SC..Hα-helixtrans-76-33.2178.2-174-94.3000113.2M8 R11 R46 E47 F48M8-F50 HydrophobicContact CB-CE1 4.28Å; M8-F50 HydrophobicContact CB-CZ 4.25Å; R11-F50 WeakPolarHBondContact CD-O 3.35Å; R11-F50 PolarHBondContact NE-O 3.39Å; R11-F50 PolarHBondContact NH1-O 3.36Å; R11-F50 VanDerWaalsContact NH2-CE2 3.27Å; R46-F50 WeakPolarHBondContact O-CB 3.49Å; R46-F50 PolarHBondContact O-N 2.88Å; E47-F50 PolarHBondContact O-N 3.32Å; F48-F50 PolarHBondContact O-N 3.46Å
51W95.5Very high95.9Very high70 Ų7042.3 Ų42.327%0.26519%0.193SC..Hα-helixtrans-100.7-43-175.1-69.4109000113.5M8 R11 Y16 E47 F48M8-W51 HydrophobicContact CB-CH2 4.47Å; M8-W51 HydrophobicContact CE-CH2 3.86Å; M8-W51 HydrophobicContact CE-CZ2 4.11Å; M8-W51 HydrophobicContact CG-CH2 3.49Å; M8-W51 VanDerWaalsContact CG-CH2 3.49Å; M8-W51 HydrophobicContact CG-CZ2 4.49Å; M8-W51 HydrophobicContact CG-CZ3 3.73Å; M8-W51 HydrophobicContact SD-CH2 4.04Å; R11-W51 HydrophobicContact CG-CE3 3.9Å; R11-W51 HydrophobicContact CG-CZ3 3.96Å; Y16-W51 WeakPolarHBondContact CE1-O 3.27Å; Y16-W51 PolarHBondContact OH-O 3.43Å; E47-W51 PolarHBondContact O-N 3.4Å; F48-W51 PolarHBondContact O-N 3.23Å
52H96.3Very high96Very high22 Ų2251.6 Ų51.610%0.10223%0.227CC..THydrogen-bonded Turntrans-106.1-11.5-167.4-63.9-65.9000114.3F48 E54 Q55 L56 R96 H100F48-H52 HydrophobicContact CD2-CB 3.88Å; F48-H52 AromaticContact CD2-CD2 3.77Å; F48-H52 HydrophobicContact CE2-CB 3.62Å; F48-H52 HydrophobicContact CG-CB 4.48Å; F48-H52 HydrophobicContact CZ-CB 4.03Å; F48-H52 PolarHBondContact O-N 2.99Å; H52-E54 PolarHBondContact O-N 3.47Å; H52-Q55 PolarHBondContact ND1-OE1 3.23Å; H52-Q55 WeakPolarHBondContact O-CB 3.24Å; H52-Q55 PolarHBondContact O-N 3.22Å; H52-L56 WeakPolarHBondContact O-CB 3.41Å; H52-L56 PolarHBondContact O-N 2.89Å; H52-R96 PolarHBondContact NE2-NH1 2.92Å; H52-H100 AromaticContact CE1-CD2 3.97Å; H52-H100 AromaticContact CG-CD2 3.98Å; H52-H100 AromaticContact ND1-CD2 3.91Å
53W96Very high96.1Very high18 Ų1852.2 Ų52.27%0.06823%0.231CC..Hα-helixtrans-61.5-45.1-176.2-165.4-102.8000112.9L31 V33 F48 V49 Q55 L56 Q57 L65 K67L31-W53 HydrophobicContact CD2-CH2 4.03Å; L31-W53 HydrophobicContact CD2-CZ3 3.94Å; V33-W53 HydrophobicContact CB-CH2 3.9Å; V33-W53 HydrophobicContact CB-CZ3 3.81Å; V33-W53 HydrophobicContact CG2-CE3 4.45Å; V33-W53 HydrophobicContact CG2-CH2 3.73Å; V33-W53 HydrophobicContact CG2-CZ3 3.36Å; F48-W53 HydrophobicContact CE1-CE3 4.46Å; F48-W53 PolarHBondContact O-N 3.48Å; V49-W53 HydrophobicContact CG1-CB 4.34Å; V49-W53 HydrophobicContact CG1-CD2 4.46Å; V49-W53 HydrophobicContact CG1-CG 4.31Å; V49-W53 HydrophobicContact CG2-CE3 4.21Å; V49-W53 WeakPolarHBondContact O-CB 3.28Å; W53-Q55 VanDerWaalsContact C-N 3.35Å; W53-L56 PolarHBondContact O-N 3.28Å; W53-Q57 PolarHBondContact O-N 2.64Å; W53-L65 HydrophobicContact CH2-CB 4Å; W53-L65 HydrophobicContact CZ2-CB 3.5Å; W53-L65 VanDerWaalsContact CZ2-CB 3.5Å; W53-K67 HydrophobicContact CZ2-CB 4.04Å
54E95.3Very high96.2Very high65 Ų6552.4 Ų52.430%0.30423%0.234SC..Hα-helixtrans-68.2-36.3179.1-62.588167.100111.8R11 L17 H52 Q57 Y58R11-E54 VanDerWaalsContact NH1-CD 3.34Å; R11-E54 IonicContact NH1-OE1 2.74Å; R11-E54 PolarHBondContact NH1-OE1 3.04Å; R11-E54 IonicContact NH1-OE2 2.84Å; R11-E54 PolarHBondContact NH1-OE2 3.13Å; L17-E54 HydrophobicContact CD2-CB 3.78Å; H52-E54 PolarHBondContact O-N 3.47Å; E54-Q57 PolarHBondContact O-N 3.49Å; E54-Y58 WeakPolarHBondContact O-CB 3.36Å; E54-Y58 PolarHBondContact O-N 3.3Å
55Q96.7Very high96.3Very high14 Ų1453.3 Ų53.37%0.06524%0.238CC..Hα-helixtrans-62.4-45.6173.4-67.4-180-36.400111Y16 H52 W53 Q57 Y58 K59Y16-Q55 HydrophobicContact CD1-CG 4.06Å; Y16-Q55 HydrophobicContact CE1-CG 3.78Å; Y16-Q55 PolarHBondContact O-NE2 3.46Å; H52-Q55 PolarHBondContact ND1-OE1 3.23Å; H52-Q55 WeakPolarHBondContact O-CB 3.24Å; H52-Q55 PolarHBondContact O-N 3.22Å; W53-Q55 VanDerWaalsContact C-N 3.35Å; Q55-Q57 PolarHBondContact O-N 2.92Å; Q55-Y58 PolarHBondContact O-N 3.17Å; Q55-K59 WeakPolarHBondContact O-CG 3.34Å; Q55-K59 PolarHBondContact O-N 3.25Å
56L96.7Very high96.3Very high5 Ų555.2 Ų55.23%0.02625%0.249CC..Hα-helixtrans-60.2-45.6178.4-169.569.7000111I22 L24 L31 H52 W53 Y58 K59 N60 L65 L103I22-L56 HydrophobicContact CB-CD1 3.83Å; I22-L56 HydrophobicContact CG2-CD1 3.52Å; L24-L56 HydrophobicContact CD1-CD1 4.33Å; L24-L56 HydrophobicContact CD2-CD1 4.4Å; L24-L56 HydrophobicContact CG-CD1 4.21Å; L31-L56 HydrophobicContact CD2-CD2 4.08Å; H52-L56 WeakPolarHBondContact O-CB 3.41Å; H52-L56 PolarHBondContact O-N 2.89Å; W53-L56 PolarHBondContact O-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.39Å; L56-K59 PolarHBondContact O-N 3.3Å; L56-N60 WeakPolarHBondContact O-CB 3.42Å; L56-N60 PolarHBondContact O-N 2.9Å; L56-N60 PolarHBondContact O-ND2 3.35Å; L56-L65 HydrophobicContact CB-CD1 4.11Å; L56-L65 HydrophobicContact CD2-CD1 3.99Å; L56-L65 HydrophobicContact CD2-CD2 4.03Å; L56-L65 HydrophobicContact CG-CD1 4Å; L56-L65 HydrophobicContact CG-CD2 4.5Å; L56-L103 HydrophobicContact CD1-CD2 4.37Å; L56-L103 HydrophobicContact CD2-CD2 4.09Å
57Q96.6Very high96.3Very high70 Ų7055.5 Ų55.533%0.32725%0.254SS..Hα-helixtrans-63.2-42.5177-170.563.964.100112.1W53 E54 Q55 K59 N60 V63 L65W53-Q57 PolarHBondContact O-N 2.64Å; E54-Q57 PolarHBondContact O-N 3.49Å; Q55-Q57 PolarHBondContact O-N 2.92Å; Q57-K59 VanDerWaalsContact C-N 3.34Å; Q57-K59 PolarHBondContact O-N 3.31Å; Q57-N60 CarbonylContact O-C 3.31Å; Q57-N60 VanDerWaalsContact O-C 3.31Å; Q57-N60 PolarHBondContact O-N 2.85Å; Q57-V63 PolarHBondContact NE2-O 2.94Å; Q57-L65 HydrophobicContact CB-CD1 3.76Å; Q57-L65 HydrophobicContact CG-CD1 4.44Å; Q57-L65 VanDerWaalsContact OE1-CB 3.26Å; Q57-L65 VanDerWaalsContact OE1-CD1 3.31Å
58Y97.2Very high96.3Very high97 Ų9756.8 Ų56.838%0.3826%0.259SS..Hα-helixtrans-63.4-41.2-178.2-179-102.8000111.8L17 E18 E54 Q55 L56L17-Y58 HydrophobicContact CB-CD1 3.71Å; L17-Y58 HydrophobicContact CB-CD2 4.19Å; L17-Y58 HydrophobicContact CB-CE1 4.15Å; L17-Y58 HydrophobicContact CB-CG 3.73Å; L17-Y58 HydrophobicContact CD1-CD2 4.01Å; L17-Y58 HydrophobicContact CD1-CE2 4.48Å; L17-Y58 HydrophobicContact CD1-CG 4.27Å; L17-Y58 HydrophobicContact CG-CG 4.48Å; E18-Y58 HydrophobicContact CG-CE1 3.88Å; E54-Y58 WeakPolarHBondContact O-CB 3.36Å; E54-Y58 PolarHBondContact O-N 3.3Å; Q55-Y58 PolarHBondContact O-N 3.17Å; L56-Y58 PolarHBondContact O-N 3.39Å
59K95.7Very high96.2Very high39 Ų3964.2 Ų64.217%0.1729%0.287CS..Hα-helixtrans-77-21.6178.5-64.4-60.1-173156.80113.7L17 E18 G20 Y23 Q55 L56 Q57 P61L17-K59 WeakPolarHBondContact O-CE 3.25Å; E18-K59 WeakPolarHBondContact O-CE 3.47Å; E18-K59 PolarHBondContact O-NZ 3.12Å; G20-K59 WeakPolarHBondContact O-CE 3.35Å; Y23-K59 HydrophobicContact CD1-CB 4.3Å; Y23-K59 HydrophobicContact CE1-CB 4.17Å; Y23-K59 HydrophobicContact CE1-CD 3.89Å; Y23-K59 HydrophobicContact CE1-CG 4.43Å; Y23-K59 PolarHBondContact OH-NZ 2.96Å; Q55-K59 WeakPolarHBondContact O-CG 3.34Å; Q55-K59 PolarHBondContact O-N 3.25Å; L56-K59 PolarHBondContact O-N 3.3Å; Q57-K59 VanDerWaalsContact C-N 3.34Å; Q57-K59 PolarHBondContact O-N 3.31Å; K59-P61 VanDerWaalsContact C-CD 3.47Å; K59-P61 WeakPolarHBondContact O-CD 3.48Å
60N96.9Very high95.7Very high13 Ų1370.2 Ų70.27%0.0731%0.308CS..  trans-127.266.8-174.1-55.1-90.1000110.3I22 L24 L56 Q57 Y62 V63I22-N60 PolarHBondContact O-ND2 3.02Å; I22-N60 VanDerWaalsContact O-ND2 3.08Å; L24-N60 WeakPolarHBondContact CB-OD1 3.37Å; L24-N60 HydrophobicContact CD1-CB 4.29Å; L24-N60 PolarHBondContact N-OD1 3.27Å; L56-N60 WeakPolarHBondContact O-CB 3.42Å; L56-N60 PolarHBondContact O-N 2.9Å; L56-N60 PolarHBondContact O-ND2 3.35Å; Q57-N60 CarbonylContact O-C 3.31Å; Q57-N60 VanDerWaalsContact O-C 3.31Å; Q57-N60 PolarHBondContact O-N 2.85Å; N60-Y62 PolarHBondContact O-N 3.43Å; N60-V63 HydrophobicContact CB-CB 4.14Å; N60-V63 HydrophobicContact CB-CG2 3.94Å; N60-V63 PolarHBondContact O-N 3.45Å
61P96.4Very high95.1Very high85 Ų8570.1 Ų70.155%0.55232%0.316SS*.THydrogen-bonded Turntrans-65.7-25-172.626-35.1000113.7K59K59-P61 VanDerWaalsContact C-CD 3.47Å; K59-P61 WeakPolarHBondContact O-CD 3.48Å
62Y96.1Very high94.7Very high218 Ų21872.4 Ų72.486%0.85533%0.328SS*.THydrogen-bonded Turntrans-90.6-1.2-179.2-56.7-67.7000113.9N60N60-Y62 PolarHBondContact O-N 3.43Å
63V97.1Very high94.5Very high13 Ų1374.8 Ų74.88%0.07935%0.345CS..SBendtrans-98.5128.4176.4-1760000108.6L24 V28 K29 L31 Q57 N60 L65L24-V63 HydrophobicContact CD1-CB 4.31Å; L24-V63 HydrophobicContact CD1-CG1 3.93Å; L24-V63 HydrophobicContact CD1-CG2 4.13Å; V28-V63 HydrophobicContact CG1-CG1 4.12Å; V28-V63 WeakPolarHBondContact O-CG2 3.4Å; K29-V63 WeakPolarHBondContact O-CA 3.37Å; K29-V63 WeakPolarHBondContact O-CG1 3.39Å; L31-V63 HydrophobicContact CB-CG1 4.39Å; Q57-V63 PolarHBondContact NE2-O 2.94Å; N60-V63 HydrophobicContact CB-CB 4.14Å; N60-V63 HydrophobicContact CB-CG2 3.94Å; N60-V63 PolarHBondContact O-N 3.45Å; V63-L65 HydrophobicContact CG1-CD2 4.06Å; V63-L65 PolarHBondContact O-N 3.26Å
64Q97.3Very high94.3Very high120 Ų12078 Ų7856%0.56136%0.363SS*.EExtended strand (participates in β ladder)trans-79.3113.3174.7-174.7178.7-6.800109.5K29 I30 L31 V66K29-Q64 PolarHBondContact O-N 2.81Å; I30-Q64 WeakPolarHBondContact CA-O 3.4Å; I30-Q64 HydrophobicContact CG1-CB 4.36Å; L31-Q64 PolarHBondContact N-O 3.02Å; Q64-V66 HydrophobicContact CG-CG2 4.12Å
65L97.4Very high94.3Very high22 Ų2275 Ų7512%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-97.5122.7175.7-57.5-175.5000111L31 W53 L56 Q57 V63L31-L65 HydrophobicContact CB-CD2 3.69Å; L31-L65 HydrophobicContact CD2-CD2 3.83Å; L31-L65 HydrophobicContact CG-CD2 4.34Å; L31-L65 WeakPolarHBondContact O-CA 3.48Å; W53-L65 HydrophobicContact CH2-CB 4Å; W53-L65 HydrophobicContact CZ2-CB 3.5Å; W53-L65 VanDerWaalsContact CZ2-CB 3.5Å; L56-L65 HydrophobicContact CB-CD1 4.11Å; L56-L65 HydrophobicContact CD2-CD1 3.99Å; L56-L65 HydrophobicContact CD2-CD2 4.03Å; L56-L65 HydrophobicContact CG-CD1 4Å; L56-L65 HydrophobicContact CG-CD2 4.5Å; Q57-L65 HydrophobicContact CB-CD1 3.76Å; Q57-L65 HydrophobicContact CG-CD1 4.44Å; Q57-L65 VanDerWaalsContact OE1-CB 3.26Å; Q57-L65 VanDerWaalsContact OE1-CD1 3.31Å; V63-L65 HydrophobicContact CG1-CD2 4.06Å; V63-L65 PolarHBondContact O-N 3.26Å
66V96.7Very high94.3Very high40 Ų4076.7 Ų76.724%0.24236%0.355CS..EExtended strand (participates in β ladder)trans-121.4138.8178.3-174.40000109.9L31 T32 V33 Q64 F68L31-V66 PolarHBondContact O-N 3.47Å; T32-V66 CarbonylContact C-O 3.56Å; T32-V66 VanDerWaalsContact CA-O 3.22Å; T32-V66 WeakPolarHBondContact CA-O 3.09Å; T32-V66 HydrophobicContact CG2-CB 4.17Å; V33-V66 PolarHBondContact N-O 2.95Å; Q64-V66 HydrophobicContact CG-CG2 4.12Å; V66-F68 HydrophobicContact CB-CE2 4.49Å; V66-F68 HydrophobicContact CG1-CD2 4.41Å; V66-F68 HydrophobicContact CG1-CE1 3.96Å; V66-F68 HydrophobicContact CG1-CE2 3.81Å; V66-F68 HydrophobicContact CG1-CZ 3.55Å
67K95.7Very high94.3Very high112 Ų11276.5 Ų76.549%0.48735%0.354SS..EExtended strand (participates in β ladder)trans-122.3129.4176.560.7-173.2173.8-168.70110.9V33 F35 V49 W53V33-K67 CarbonylContact O-C 3.48Å; V33-K67 VanDerWaalsContact O-CA 3.32Å; V33-K67 WeakPolarHBondContact O-CA 3.41Å; F35-K67 HydrophobicContact CE1-CB 4.27Å; V49-K67 HydrophobicContact CG1-CD 4.04Å; W53-K67 HydrophobicContact CZ2-CB 4.04Å
68F96Very high94.3Very high90 Ų9075 Ų7540%0.39535%0.347SS..EExtended strand (participates in β ladder)trans-109.7126.3177.2-62.7-69.5000109.9T32 V33 T34 F35 V66T32-F68 HydrophobicContact CG2-CE2 4.07Å; V33-F68 PolarHBondContact O-N 3.32Å; T34-F68 WeakPolarHBondContact CA-O 3.3Å; T34-F68 HydrophobicContact CG2-CB 4.33Å; F35-F68 PolarHBondContact N-O 3.16Å; F35-F68 VanDerWaalsContact N-O 3.08Å; V66-F68 HydrophobicContact CB-CE2 4.49Å; V66-F68 HydrophobicContact CG1-CD2 4.41Å; V66-F68 HydrophobicContact CG1-CE1 3.96Å; V66-F68 HydrophobicContact CG1-CE2 3.81Å; V66-F68 HydrophobicContact CG1-CZ 3.55Å
69R92.7Very high94.4Very high157 Ų15770.3 Ų70.359%0.59233%0.329SS*.EExtended strand (participates in β ladder)trans-105.4127-179.9179.2178167.8157.52.9109P37 S71P37-R69 HydrophobicContact CG-CG 4.19Å; R69-S71 VanDerWaalsContact C-N 3.33Å; R69-S71 PolarHBondContact O-N 3.49Å
70R86.4Confident94.5Very high135 Ų13571.1 Ų71.151%0.50933%0.332SS..SBendtrans63.924.7177.4-62.7178178.2157.8-1.3115.7F35 P37 E38F35-R70 PolarHBondContact O-N 3.45Å; F35-R70 VanDerWaalsContact O-N 3.09Å; P37-R70 HydrophobicContact CG-CG 3.92Å; E38-R70 IonicContact OE1-CZ 3.46Å; E38-R70 VanDerWaalsContact OE1-CZ 3.28Å; E38-R70 IonicContact OE1-NE 3.28Å; E38-R70 PolarHBondContact OE1-NE 3.34Å; E38-R70 IonicContact OE1-NH2 3.04Å; E38-R70 PolarHBondContact OE1-NH2 2.88Å
71S82.4Confident94.5Very high67 Ų6771.8 Ų71.847%0.46934%0.336SS..SBendtrans-79.2-36176.9-59.20000113.3R69R69-S71 VanDerWaalsContact C-N 3.33Å; R69-S71 PolarHBondContact O-N 3.49Å
72F87.5Confident94.5Very high119 Ų11973.6 Ų73.652%0.52234%0.337SS..  trans-138.3151.1-177.9-102.3-98.4000111.5T34 I74 Y76T34-F72 HydrophobicContact CG2-CB 4.18Å; F72-I74 VanDerWaalsContact C-N 3.35Å; F72-Y76 HydrophobicContact CB-CE1 4.18Å; F72-Y76 HydrophobicContact CD2-CE1 4.37Å; F72-Y76 HydrophobicContact CG-CE1 4.26Å
73P91.1Very high94.4Very high71 Ų7169.7 Ų69.746%0.46133%0.331SS..SBendtrans-69.6-30.717526.6-34000113.2M39 N41M39-P73 HydrophobicContact CE-CB 3.94Å; M39-P73 WeakPolarHBondContact CE-O 3.47Å; M39-P73 VanDerWaalsContact SD-CA 3.6Å; M39-P73 HydrophobicContact SD-CB 3.86Å; M39-P73 VanDerWaalsContact SD-O 3.4Å; N41-P73 PolarHBondContact ND2-O 3.04Å; N41-P73 VanDerWaalsContact ND2-O 3.13Å
74I92.9Very high94.3Very high87 Ų8772 Ų7245%0.44636%0.357SS..SBendtrans-97.7124.5177.4-59.9173.2000108.3F72 D92F72-I74 VanDerWaalsContact C-N 3.35Å; I74-D92 HydrophobicContact CG2-CB 4.19Å
75P95.9Very high94.2Very high1 Ų168.8 Ų68.81%0.00635%0.347CS..  trans-72.1140.3174.731.6-36000111.1T34 S42 A45 L91T34-P75 VanDerWaalsContact O-CA 3.22Å; T34-P75 WeakPolarHBondContact O-CA 3.3Å; T34-P75 WeakPolarHBondContact O-CB 3.32Å; S42-P75 WeakPolarHBondContact OG-CB 3.18Å; A45-P75 HydrophobicContact CB-CB 3.89Å; P75-L91 HydrophobicContact CB-CB 4.19Å; P75-L91 HydrophobicContact CG-CB 4.06Å; P75-L91 WeakPolarHBondContact CG-O 3.22Å; P75-L91 PolarHBondContact O-N 3.41Å
76Y96.3Very high94.2Very high50 Ų5073.4 Ų73.420%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-147.9159.4176.367.4-92.2000111.3T34 F72 Q78 L88 M89T34-Y76 HydrophobicContact CG2-CE1 4.04Å; T34-Y76 PolarHBondContact N-O 2.68Å; T34-Y76 PolarHBondContact O-N 3.38Å; F72-Y76 HydrophobicContact CB-CE1 4.18Å; F72-Y76 HydrophobicContact CD2-CE1 4.37Å; F72-Y76 HydrophobicContact CG-CE1 4.26Å; Y76-Q78 HydrophobicContact CD2-CB 4.1Å; Y76-Q78 HydrophobicContact CE2-CB 3.96Å; Y76-L88 HydrophobicContact CD2-CD1 3.36Å; Y76-L88 HydrophobicContact CE2-CD1 3.93Å; Y76-L88 HydrophobicContact CG-CD1 3.94Å; Y76-M89 CarbonylContact C-O 3.58Å; Y76-M89 WeakPolarHBondContact CA-O 3.22Å; Y76-M89 VanDerWaalsContact CB-O 3.31Å; Y76-M89 WeakPolarHBondContact CB-O 3.49Å
77I96.8Very high94.2Very high1 Ų173.3 Ų73.31%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-111.4133.5166.5-49.6-164.2000107.5L31 T32 V33 M89 L91 V99 L103L31-I77 HydrophobicContact CD1-CG2 3.99Å; L31-I77 HydrophobicContact CD2-CG2 4.07Å; L31-I77 HydrophobicContact CG-CG2 3.88Å; T32-I77 CarbonylContact O-C 3.58Å; T32-I77 VanDerWaalsContact O-CA 3.29Å; T32-I77 WeakPolarHBondContact O-CA 3.5Å; T32-I77 WeakPolarHBondContact O-CG2 3.45Å; V33-I77 HydrophobicContact CG2-CB 4.25Å; V33-I77 HydrophobicContact CG2-CD1 3.92Å; V33-I77 HydrophobicContact CG2-CG1 3.78Å; V33-I77 HydrophobicContact CG2-CG2 3.99Å; I77-M89 HydrophobicContact CB-CB 4.35Å; I77-M89 HydrophobicContact CB-CE 3.88Å; I77-M89 HydrophobicContact CG2-CE 3.69Å; I77-M89 PolarHBondContact N-O 3.03Å; I77-M89 PolarHBondContact O-N 3.19Å; I77-L91 HydrophobicContact CD1-CD1 3.89Å; I77-L91 HydrophobicContact CD1-CD2 4.35Å; I77-L91 HydrophobicContact CG1-CD1 3.49Å; I77-L91 VanDerWaalsContact CG1-CD1 3.49Å; I77-L91 HydrophobicContact CG1-CD2 4.17Å; I77-L91 HydrophobicContact CG1-CG 3.96Å; I77-V99 HydrophobicContact CD1-CG1 4.19Å; I77-L103 HydrophobicContact CD1-CD1 4.29Å; I77-L103 HydrophobicContact CG2-CD1 4.46Å
78Q97Very high94.2Very high37 Ų3773.6 Ų73.617%0.17337%0.374CS..EExtended strand (participates in β ladder)trans-124.1127.9172.3-176.3-17811.300108.6T32 Y76 F80 E86 V87 L88T32-Q78 PolarHBondContact N-O 3.11Å; T32-Q78 PolarHBondContact O-N 2.82Å; T32-Q78 WeakPolarHBondContact OG1-CB 3.35Å; T32-Q78 PolarHBondContact OG1-O 3.1Å; Y76-Q78 HydrophobicContact CD2-CB 4.1Å; Y76-Q78 HydrophobicContact CE2-CB 3.96Å; Q78-F80 HydrophobicContact CG-CE2 4.02Å; Q78-F80 HydrophobicContact CG-CZ 3.99Å; Q78-E86 PolarHBondContact NE2-OE2 3.07Å; Q78-V87 CarbonylContact C-O 3.59Å; Q78-V87 WeakPolarHBondContact CA-O 3.44Å; Q78-L88 HydrophobicContact CB-CD1 4.05Å; Q78-L88 HydrophobicContact CG-CD1 4.38Å
79A97.7Very high94.2Very high0 Ų069.4 Ų69.40%036%0.356CS..EExtended strand (participates in β ladder)trans-114.3135.6175.900000110.2V28 I30 L31 E86 V87 L107V28-A79 HydrophobicContact CG1-CB 4.23Å; I30-A79 CarbonylContact O-C 3.53Å; I30-A79 WeakPolarHBondContact O-CA 3.33Å; L31-A79 HydrophobicContact CD1-CB 4.32Å; A79-E86 CarbonylContact O-C 3.58Å; A79-E86 WeakPolarHBondContact O-CA 3.21Å; A79-V87 HydrophobicContact CB-CB 4.46Å; A79-V87 PolarHBondContact N-O 2.79Å; A79-V87 PolarHBondContact O-N 3.15Å; A79-L107 HydrophobicContact CB-CD1 3.36Å; A79-L107 HydrophobicContact CB-CD2 4.24Å; A79-L107 HydrophobicContact CB-CG 4.46Å
80F97.7Very high94.4Very high56 Ų5665.6 Ų65.625%0.24635%0.347CS..EExtended strand (participates in β ladder)trans-104.8122.6175.4-57.5-95.2000108.2K29 I30 T32 Q78 E86K29-F80 PolarHBondContact N-O 3.33Å; I30-F80 HydrophobicContact CB-CB 4.11Å; I30-F80 HydrophobicContact CB-CD2 3.87Å; I30-F80 HydrophobicContact CB-CG 4.37Å; I30-F80 HydrophobicContact CG2-CD2 3.99Å; I30-F80 PolarHBondContact N-O 2.72Å; I30-F80 PolarHBondContact O-N 2.97Å; T32-F80 HydrophobicContact CG2-CD2 4.48Å; T32-F80 HydrophobicContact CG2-CE2 3.88Å; Q78-F80 HydrophobicContact CG-CE2 4.02Å; Q78-F80 HydrophobicContact CG-CZ 3.99Å; F80-E86 HydrophobicContact CD1-CG 3.67Å; F80-E86 VanDerWaalsContact CE1-CD 3.44Å; F80-E86 HydrophobicContact CE1-CG 3.83Å; F80-E86 VanDerWaalsContact CE1-OE1 3.25Å; F80-E86 WeakPolarHBondContact CE1-OE1 3.47Å
81L97Very high94.8Very high26 Ų2659.3 Ų59.314%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-90.3165.8-179.4-56.9-177.3000110.8E27 V28 D83 G84 S85 V87E27-L81 HydrophobicContact CB-CD2 4.21Å; E27-L81 CarbonylContact O-C 3.41Å; E27-L81 VanDerWaalsContact O-CA 3.25Å; E27-L81 WeakPolarHBondContact O-CA 3.29Å; V28-L81 HydrophobicContact CB-CD2 4.31Å; V28-L81 HydrophobicContact CG2-CD2 3.67Å; L81-D83 PolarHBondContact O-N 2.73Å; L81-G84 PolarHBondContact O-N 2.92Å; L81-G84 VanDerWaalsContact O-N 3.09Å; L81-S85 WeakPolarHBondContact CD1-OG 3.32Å; L81-S85 PolarHBondContact N-O 3.16Å; L81-V87 HydrophobicContact CD1-CG2 4.03Å; L81-V87 HydrophobicContact CG-CG2 4.44Å
82E96.2Very high95.4Very high124 Ų12458.9 Ų58.958%0.57932%0.316SS*.THydrogen-bonded Turntrans-59.2-35.3179.2-167.4160.3-178.100112.6E27 K29 G84E27-E82 PolarHBondContact O-N 3.42Å; K29-E82 VanDerWaalsContact CE-CD 3.45Å; K29-E82 WeakPolarHBondContact CE-OE2 3.2Å; K29-E82 HydrophobicContact CG-CB 4.44Å; K29-E82 IonicContact NZ-OE1 2.64Å; K29-E82 IonicContact NZ-OE2 3Å; K29-E82 PolarHBondContact NZ-OE2 2.87Å; E82-G84 PolarHBondContact O-N 3.37Å; E82-G84 VanDerWaalsContact O-N 3.13Å
83D95.5Very high95.7Very high136 Ų13658.6 Ų58.673%0.72732%0.32SS*.THydrogen-bonded Turntrans-73.80.2179.1-56.3-28.3000113.4L81 S85L81-D83 PolarHBondContact O-N 2.73Å; D83-S85 PolarHBondContact O-N 2.92Å
84G94.2Very high95.9Very high60 Ų6058.7 Ų58.762%0.61931%0.312SS*.SBendtrans77.91.2-172.200000114L81 E82L81-G84 PolarHBondContact O-N 2.92Å; L81-G84 VanDerWaalsContact O-N 3.09Å; E82-G84 PolarHBondContact O-N 3.37Å; E82-G84 VanDerWaalsContact O-N 3.13Å
85S96.1Very high96.1Very high53 Ų5357.9 Ų57.937%0.37131%0.311SS..  trans-73.2151.4172.856.20000111.6L81 D83L81-S85 WeakPolarHBondContact CD1-OG 3.32Å; L81-S85 PolarHBondContact N-O 3.16Å; D83-S85 PolarHBondContact O-N 2.92Å
86E96.9Very high96.1Very high119 Ų11961 Ų6156%0.55632%0.323SS*.EExtended strand (participates in β ladder)trans-120.4137.5-175.7-59.6-176.3-172.100111.1Q78 A79 F80Q78-E86 PolarHBondContact NE2-OE2 3.07Å; A79-E86 CarbonylContact O-C 3.58Å; A79-E86 WeakPolarHBondContact O-CA 3.21Å; F80-E86 HydrophobicContact CD1-CG 3.67Å; F80-E86 VanDerWaalsContact CE1-CD 3.44Å; F80-E86 HydrophobicContact CE1-CG 3.83Å; F80-E86 VanDerWaalsContact CE1-OE1 3.25Å; F80-E86 WeakPolarHBondContact CE1-OE1 3.47Å
87V96.7Very high96.1Very high39 Ų3963.9 Ų63.924%0.23634%0.338CS..EExtended strand (participates in β ladder)trans-115.1112.2175-178.50000108.6Q78 A79 L81 M89 I106 L107Q78-V87 CarbonylContact C-O 3.59Å; Q78-V87 WeakPolarHBondContact CA-O 3.44Å; A79-V87 HydrophobicContact CB-CB 4.46Å; A79-V87 PolarHBondContact N-O 2.79Å; A79-V87 PolarHBondContact O-N 3.15Å; L81-V87 HydrophobicContact CD1-CG2 4.03Å; L81-V87 HydrophobicContact CG-CG2 4.44Å; V87-M89 HydrophobicContact CG1-CG 4.35Å; V87-I106 HydrophobicContact CG1-CG2 3.93Å; V87-L107 HydrophobicContact CB-CD2 4.35Å; V87-L107 HydrophobicContact CG1-CD2 4.31Å; V87-L107 HydrophobicContact CG2-CD2 4.34Å
88L96.2Very high96.1Very high117 Ų11767.2 Ų67.261%0.61336%0.356SS*.EExtended strand (participates in β ladder)trans-100.9130177.3-174.566.9000110.6Y76 Q78Y76-L88 HydrophobicContact CD2-CD1 3.36Å; Y76-L88 HydrophobicContact CE2-CD1 3.93Å; Y76-L88 HydrophobicContact CG-CD1 3.94Å; Q78-L88 HydrophobicContact CB-CD1 4.05Å; Q78-L88 HydrophobicContact CG-CD1 4.38Å
89M95.8Very high96.1Very high2 Ų265.4 Ų65.41%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-128.3116.5178.9-64.1177-7700110.1Y76 I77 V87 L103 I106 L107Y76-M89 CarbonylContact C-O 3.58Å; Y76-M89 WeakPolarHBondContact CA-O 3.22Å; Y76-M89 VanDerWaalsContact CB-O 3.31Å; Y76-M89 WeakPolarHBondContact CB-O 3.49Å; I77-M89 HydrophobicContact CB-CB 4.35Å; I77-M89 HydrophobicContact CB-CE 3.88Å; I77-M89 HydrophobicContact CG2-CE 3.69Å; I77-M89 PolarHBondContact N-O 3.03Å; I77-M89 PolarHBondContact O-N 3.19Å; V87-M89 HydrophobicContact CG1-CG 4.35Å; M89-L103 HydrophobicContact CE-CD1 3.78Å; M89-I106 HydrophobicContact CG-CD1 3.92Å; M89-I106 HydrophobicContact SD-CB 3.92Å; M89-I106 HydrophobicContact SD-CD1 3.45Å; M89-I106 WeakPolarHBondContact SD-CD1 3.15Å; M89-I106 HydrophobicContact SD-CG1 4.26Å; M89-I106 HydrophobicContact SD-CG2 3.98Å; M89-L107 HydrophobicContact CE-CD1 3.55Å; M89-L107 HydrophobicContact CE-CG 4.08Å
90D95.3Very high96.1Very high78 Ų7866.2 Ų66.242%0.41735%0.351SS..EExtended strand (participates in β ladder)trans-72139.4170.664-44000111.6R102D90-R102 PolarHBondContact O-NH1 3.09Å; D90-R102 VanDerWaalsContact O-NH1 3.13Å; D90-R102 IonicContact OD1-CZ 3.19Å; D90-R102 IonicContact OD1-NH1 2.72Å; D90-R102 PolarHBondContact OD1-NH1 2.78Å; D90-R102 IonicContact OD1-NH2 2.69Å; D90-R102 PolarHBondContact OD1-NH2 2.91Å; D90-R102 IonicContact OD2-NH1 3.43Å
91L94.9Very high96Very high2 Ų268.2 Ų68.21%0.0136%0.364CS..  trans-12326.1-179.6-57.5-176.2000112.9A45 P75 I77 N93 Y94 V99A45-L91 HydrophobicContact CB-CD1 3.88Å; P75-L91 HydrophobicContact CB-CB 4.19Å; P75-L91 HydrophobicContact CG-CB 4.06Å; P75-L91 WeakPolarHBondContact CG-O 3.22Å; P75-L91 PolarHBondContact O-N 3.41Å; I77-L91 HydrophobicContact CD1-CD1 3.89Å; I77-L91 HydrophobicContact CD1-CD2 4.35Å; I77-L91 HydrophobicContact CG1-CD1 3.49Å; I77-L91 VanDerWaalsContact CG1-CD1 3.49Å; I77-L91 HydrophobicContact CG1-CD2 4.17Å; I77-L91 HydrophobicContact CG1-CG 3.96Å; L91-N93 PolarHBondContact O-N 2.77Å; L91-Y94 PolarHBondContact O-N 2.97Å; L91-V99 HydrophobicContact CB-CG2 4.47Å; L91-V99 HydrophobicContact CD1-CG1 3.75Å; L91-V99 HydrophobicContact CD1-CG2 4.09Å; L91-V99 HydrophobicContact CD2-CB 4.42Å; L91-V99 HydrophobicContact CD2-CG1 3.98Å; L91-V99 HydrophobicContact CD2-CG2 4.09Å; L91-V99 HydrophobicContact CG-CG2 4.46Å
92D94.6Very high95.9Very high59 Ų5969 Ų6932%0.31637%0.366SS..THydrogen-bonded Turntrans-67118.7-173.9-163.147.8000112.3N41 I74 Y94N41-D92 VanDerWaalsContact CB-OD1 3.23Å; N41-D92 WeakPolarHBondContact CB-OD1 3.13Å; N41-D92 PolarHBondContact ND2-OD1 3.08Å; I74-D92 HydrophobicContact CG2-CB 4.19Å; D92-Y94 VanDerWaalsContact O-CD2 3.23Å; D92-Y94 WeakPolarHBondContact O-CD2 3.29Å; D92-Y94 PolarHBondContact O-N 3.35Å
93N95.1Very high95.9Very high112 Ų11263.2 Ų63.260%0.59934%0.338SS*.THydrogen-bonded Turntrans60.920.2-177.8-58.3-61.2000115.6N41 L91N41-N93 VanDerWaalsContact CA-OD1 3.24Å; N41-N93 WeakPolarHBondContact CA-OD1 3.24Å; N41-N93 WeakPolarHBondContact CB-OD1 3.35Å; N41-N93 PolarHBondContact O-N 2.83Å; L91-N93 PolarHBondContact O-N 2.77Å
94Y95.8Very high95.9Very high74 Ų7458.6 Ų58.629%0.2932%0.317SS..  trans-72.8148.1173.6-79.7-110.8000110.8G44 L91 D92 D98 R102G44-Y94 VanDerWaalsContact CA-O 3.22Å; G44-Y94 WeakPolarHBondContact CA-O 3.35Å; G44-Y94 PolarHBondContact N-O 3.32Å; L91-Y94 PolarHBondContact O-N 2.97Å; D92-Y94 VanDerWaalsContact O-CD2 3.23Å; D92-Y94 WeakPolarHBondContact O-CD2 3.29Å; D92-Y94 PolarHBondContact O-N 3.35Å; Y94-D98 HydrophobicContact CD1-CB 3.51Å; Y94-D98 HydrophobicContact CE1-CB 4.29Å; Y94-D98 HydrophobicContact CG-CB 4.29Å; Y94-R102 VanDerWaalsContact CZ-NH1 3.26Å; Y94-R102 PolarHBondContact OH-NH1 2.72Å
95T97Very high96Very high69 Ų6964.6 Ų64.642%0.42332%0.321SS..  trans-80.2165.8166.273.60000110.9Q97 D98 V99T95-Q97 VanDerWaalsContact C-N 3.25Å; T95-Q97 PolarHBondContact O-N 2.8Å; T95-D98 VanDerWaalsContact CB-OD2 3.26Å; T95-D98 WeakPolarHBondContact CB-OD2 3.33Å; T95-D98 WeakPolarHBondContact CG2-OD2 3.49Å; T95-D98 PolarHBondContact N-OD2 3.29Å; T95-D98 PolarHBondContact O-N 3.36Å; T95-D98 VanDerWaalsContact O-N 3.14Å; T95-D98 PolarHBondContact OG1-N 2.92Å; T95-D98 PolarHBondContact OG1-OD1 3.46Å; T95-D98 PolarHBondContact OG1-OD2 3.04Å; T95-V99 WeakPolarHBondContact O-CG2 3.43Å; T95-V99 PolarHBondContact O-N 3.18Å
96R95.9Very high95.9Very high67 Ų6764.6 Ų64.625%0.25332%0.316SS..Hα-helixtrans-52.9-43.3176.3178-175.960.1895112.5E47 H52 H100E47-R96 HydrophobicContact CB-CB 4.03Å; E47-R96 HydrophobicContact CB-CG 4.28Å; H52-R96 PolarHBondContact NE2-NH1 2.92Å; R96-H100 WeakPolarHBondContact O-CB 3.33Å; R96-H100 PolarHBondContact O-N 3.48Å; R96-H100 VanDerWaalsContact O-N 3.15Å
97Q96.3Very high95.9Very high110 Ų11059.2 Ų59.251%0.51429%0.291SS..Hα-helixtrans-69.2-40.2179.2-79.8133.2-35.700111.3T95 V99 H100 D101T95-Q97 VanDerWaalsContact C-N 3.25Å; T95-Q97 PolarHBondContact O-N 2.8Å; Q97-V99 VanDerWaalsContact C-N 3.33Å; Q97-V99 PolarHBondContact O-N 2.88Å; Q97-H100 WeakPolarHBondContact O-CB 3.45Å; Q97-H100 PolarHBondContact O-N 3.08Å; Q97-H100 VanDerWaalsContact O-N 3.15Å; Q97-D101 WeakPolarHBondContact O-CB 3.3Å; Q97-D101 VanDerWaalsContact O-CG 3.31Å; Q97-D101 PolarHBondContact O-N 3.26Å
98D97Very high95.8Very high71 Ų7157.5 Ų57.538%0.3828%0.281SS..Hα-helixtrans-64.9-39178.3-51.4-40.2000111.8Y94 T95 H100 R102Y94-D98 HydrophobicContact CD1-CB 3.51Å; Y94-D98 HydrophobicContact CE1-CB 4.29Å; Y94-D98 HydrophobicContact CG-CB 4.29Å; T95-D98 VanDerWaalsContact CB-OD2 3.26Å; T95-D98 WeakPolarHBondContact CB-OD2 3.33Å; T95-D98 WeakPolarHBondContact CG2-OD2 3.49Å; T95-D98 PolarHBondContact N-OD2 3.29Å; T95-D98 PolarHBondContact O-N 3.36Å; T95-D98 VanDerWaalsContact O-N 3.14Å; T95-D98 PolarHBondContact OG1-N 2.92Å; T95-D98 PolarHBondContact OG1-OD1 3.46Å; T95-D98 PolarHBondContact OG1-OD2 3.04Å; D98-H100 VanDerWaalsContact C-N 3.32Å; D98-R102 WeakPolarHBondContact O-CB 3.5Å; D98-R102 PolarHBondContact O-N 2.97Å
99V96.8Very high95.8Very high0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-60.7-45.7173.7177.80000110.3F48 I77 L91 T95 Q97 L103F48-V99 HydrophobicContact CB-CB 4.22Å; F48-V99 HydrophobicContact CB-CG1 3.91Å; F48-V99 HydrophobicContact CD1-CG1 3.93Å; F48-V99 HydrophobicContact CD2-CB 4.2Å; F48-V99 HydrophobicContact CD2-CG1 3.8Å; F48-V99 HydrophobicContact CE1-CG1 4.45Å; F48-V99 HydrophobicContact CE2-CG1 4.35Å; F48-V99 HydrophobicContact CG-CB 4.23Å; F48-V99 HydrophobicContact CG-CG1 3.58Å; I77-V99 HydrophobicContact CD1-CG1 4.19Å; L91-V99 HydrophobicContact CB-CG2 4.47Å; L91-V99 HydrophobicContact CD1-CG1 3.75Å; L91-V99 HydrophobicContact CD1-CG2 4.09Å; L91-V99 HydrophobicContact CD2-CB 4.42Å; L91-V99 HydrophobicContact CD2-CG1 3.98Å; L91-V99 HydrophobicContact CD2-CG2 4.09Å; L91-V99 HydrophobicContact CG-CG2 4.46Å; T95-V99 WeakPolarHBondContact O-CG2 3.43Å; T95-V99 PolarHBondContact O-N 3.18Å; Q97-V99 VanDerWaalsContact C-N 3.33Å; Q97-V99 PolarHBondContact O-N 2.88Å; V99-L103 WeakPolarHBondContact O-CB 3.15Å; V99-L103 PolarHBondContact O-N 3.5Å
100H96.5Very high95.7Very high17 Ų1756.9 Ų56.98%0.07928%0.28CS..Hα-helixtrans-60-51.4179.6-179.7-81.7000111.8D21 I22 F48 H52 R96 Q97 D98 R102 L103 S104D21-H100 IonicContact OD1-CE1 2.92Å; D21-H100 PolarHBondContact OD1-CE1 3.15Å; D21-H100 IonicContact OD1-NE2 3.32Å; D21-H100 PolarHBondContact OD1-NE2 2.64Å; D21-H100 IonicContact OD2-CE1 3.15Å; D21-H100 PolarHBondContact OD2-CE1 3.42Å; I22-H100 WeakPolarHBondContact CD1-NE2 3.36Å; F48-H100 HydrophobicContact CD2-CB 4.18Å; F48-H100 HydrophobicContact CE2-CB 4.04Å; H52-H100 AromaticContact CE1-CD2 3.97Å; H52-H100 AromaticContact CG-CD2 3.98Å; H52-H100 AromaticContact ND1-CD2 3.91Å; R96-H100 WeakPolarHBondContact O-CB 3.33Å; R96-H100 PolarHBondContact O-N 3.48Å; R96-H100 VanDerWaalsContact O-N 3.15Å; Q97-H100 WeakPolarHBondContact O-CB 3.45Å; Q97-H100 PolarHBondContact O-N 3.08Å; Q97-H100 VanDerWaalsContact O-N 3.15Å; D98-H100 VanDerWaalsContact C-N 3.32Å; H100-R102 PolarHBondContact O-N 3.21Å; H100-L103 PolarHBondContact O-N 3Å; H100-S104 WeakPolarHBondContact O-CB 3.34Å; H100-S104 PolarHBondContact O-N 2.84Å
101D95.8Very high95.6Very high97 Ų9761.2 Ų61.252%0.51930%0.295SS..Hα-helixtrans-69.1-37.6-176.8-66.3-10.7000111.3Q97 S104 R105Q97-D101 WeakPolarHBondContact O-CB 3.3Å; Q97-D101 VanDerWaalsContact O-CG 3.31Å; Q97-D101 PolarHBondContact O-N 3.26Å; D101-S104 PolarHBondContact O-N 2.91Å; D101-R105 WeakPolarHBondContact O-CB 3.39Å; D101-R105 PolarHBondContact O-N 3.06Å
102R95.9Very high95.6Very high44 Ų4467 Ų6717%0.16633%0.326CS..Hα-helixtrans-62.4-45.4174.7-175.3164.6-174.6172.6-3.9111.4D90 Y94 D98 H100 R105 I106D90-R102 PolarHBondContact O-NH1 3.09Å; D90-R102 VanDerWaalsContact O-NH1 3.13Å; D90-R102 IonicContact OD1-CZ 3.19Å; D90-R102 IonicContact OD1-NH1 2.72Å; D90-R102 PolarHBondContact OD1-NH1 2.78Å; D90-R102 IonicContact OD1-NH2 2.69Å; D90-R102 PolarHBondContact OD1-NH2 2.91Å; D90-R102 IonicContact OD2-NH1 3.43Å; Y94-R102 VanDerWaalsContact CZ-NH1 3.26Å; Y94-R102 PolarHBondContact OH-NH1 2.72Å; D98-R102 WeakPolarHBondContact O-CB 3.5Å; D98-R102 PolarHBondContact O-N 2.97Å; H100-R102 PolarHBondContact O-N 3.21Å; R102-R105 PolarHBondContact O-N 3.15Å; R102-I106 HydrophobicContact CG-CD1 3.82Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 3.43Å; R102-I106 VanDerWaalsContact O-N 3.13Å
103L96.3Very high95.5Very high1 Ų168 Ų681%0.00533%0.33CS..Hα-helixtrans-63.1-48.4177.2-178.565.5000111.3I22 L31 F48 L56 I77 M89 V99 H100 R105 I106 L107 G108I22-L103 HydrophobicContact CD1-CB 4.48Å; I22-L103 HydrophobicContact CD1-CD2 4Å; I22-L103 HydrophobicContact CD1-CG 4.41Å; I22-L103 HydrophobicContact CG2-CD2 4.48Å; L31-L103 HydrophobicContact CD1-CD1 3.85Å; F48-L103 HydrophobicContact CE1-CD2 4.23Å; F48-L103 HydrophobicContact CE2-CD2 4.48Å; F48-L103 HydrophobicContact CZ-CD2 3.62Å; L56-L103 HydrophobicContact CD1-CD2 4.37Å; L56-L103 HydrophobicContact CD2-CD2 4.09Å; I77-L103 HydrophobicContact CD1-CD1 4.29Å; I77-L103 HydrophobicContact CG2-CD1 4.46Å; M89-L103 HydrophobicContact CE-CD1 3.78Å; V99-L103 WeakPolarHBondContact O-CB 3.15Å; V99-L103 PolarHBondContact O-N 3.5Å; H100-L103 PolarHBondContact O-N 3Å; L103-R105 VanDerWaalsContact C-N 3.27Å; L103-R105 PolarHBondContact O-N 2.84Å; L103-I106 PolarHBondContact O-N 2.87Å; L103-L107 HydrophobicContact CD1-CB 4.33Å; L103-L107 HydrophobicContact CD1-CD1 3.84Å; L103-L107 HydrophobicContact CD1-CG 4.42Å; L103-L107 PolarHBondContact O-N 2.97Å; L103-G108 PolarHBondContact O-N 3.45Å
104S95.5Very high95.4Very high40 Ų4064.9 Ų64.928%0.2831%0.313SS..Hα-helixtrans-61.3-36.3178.3-1750000112.2H100 D101 G108H100-S104 WeakPolarHBondContact O-CB 3.34Å; H100-S104 PolarHBondContact O-N 2.84Å; D101-S104 PolarHBondContact O-N 2.91Å; S104-G108 WeakPolarHBondContact O-CA 3.29Å; S104-G108 PolarHBondContact O-N 2.8Å; S104-G108 VanDerWaalsContact O-N 3.14Å
105R95Very high95.4Very high185 Ų18566.6 Ų66.670%0.69832%0.324SS*.Hα-helixtrans-70.8-41.1-179.8-176.8178.162.9169.1-0.9112.5D101 R102 L103D101-R105 WeakPolarHBondContact O-CB 3.39Å; D101-R105 PolarHBondContact O-N 3.06Å; R102-R105 PolarHBondContact O-N 3.15Å; L103-R105 VanDerWaalsContact C-N 3.27Å; L103-R105 PolarHBondContact O-N 2.84Å
106I95.4Very high95.2Very high54 Ų5469.5 Ų69.528%0.27733%0.333SS..Hα-helixtrans-85.6-52.8-172.8-64.7168.6000110.9R25 V87 M89 R102 L103R25-I106 PolarHBondContact NH2-O 3.36Å; V87-I106 HydrophobicContact CG1-CG2 3.93Å; M89-I106 HydrophobicContact CG-CD1 3.92Å; M89-I106 HydrophobicContact SD-CB 3.92Å; M89-I106 HydrophobicContact SD-CD1 3.45Å; M89-I106 WeakPolarHBondContact SD-CD1 3.15Å; M89-I106 HydrophobicContact SD-CG1 4.26Å; M89-I106 HydrophobicContact SD-CG2 3.98Å; R102-I106 HydrophobicContact CG-CD1 3.82Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 3.43Å; R102-I106 VanDerWaalsContact O-N 3.13Å; L103-I106 PolarHBondContact O-N 2.87Å
107L96Very high95Very high6 Ų669.5 Ų69.53%0.03134%0.336CS..THydrogen-bonded Turntrans-105.9-10.1-172.8-62.2-179.9000113.7L24 R25 V28 L31 A79 V87 M89 L103L24-L107 WeakPolarHBondContact CA-O 3.3Å; L24-L107 HydrophobicContact CD2-CB 3.85Å; R25-L107 WeakPolarHBondContact CG-O 3.22Å; R25-L107 PolarHBondContact N-O 3.33Å; V28-L107 HydrophobicContact CG2-CB 4.39Å; V28-L107 HydrophobicContact CG2-CD2 4.06Å; L31-L107 HydrophobicContact CD1-CD1 3.75Å; A79-L107 HydrophobicContact CB-CD1 3.36Å; A79-L107 HydrophobicContact CB-CD2 4.24Å; A79-L107 HydrophobicContact CB-CG 4.46Å; V87-L107 HydrophobicContact CB-CD2 4.35Å; V87-L107 HydrophobicContact CG1-CD2 4.31Å; V87-L107 HydrophobicContact CG2-CD2 4.34Å; M89-L107 HydrophobicContact CE-CD1 3.55Å; M89-L107 HydrophobicContact CE-CG 4.08Å; L103-L107 HydrophobicContact CD1-CB 4.33Å; L103-L107 HydrophobicContact CD1-CD1 3.84Å; L103-L107 HydrophobicContact CD1-CG 4.42Å; L103-L107 PolarHBondContact O-N 2.97Å
108G95.3Very high94.8Very high3 Ų373 Ų733%0.03134%0.344CS..BIsolated β-bridgetrans-73.2152.3178.800000113Y23 R25 L103 S104Y23-G108 CarbonylContact O-C 3.49Å; Y23-G108 VanDerWaalsContact O-CA 3.29Å; Y23-G108 WeakPolarHBondContact O-CA 3.33Å; R25-G108 PolarHBondContact NE-O 2.74Å; L103-G108 PolarHBondContact O-N 3.45Å; S104-G108 WeakPolarHBondContact O-CA 3.29Å; S104-G108 PolarHBondContact O-N 2.8Å; S104-G108 VanDerWaalsContact O-N 3.14Å
109K95.8Very high94.5Very high33 Ų3372.7 Ų72.714%0.14335%0.345CS..PPolyproline II helixtrans-69144.6164.9-66.8-174.8-179.7-172.20109.5Y23 L24 R25 N26 I113 L114 E117Y23-K109 PolarHBondContact O-N 3.25Å; L24-K109 WeakPolarHBondContact O-CE 3.43Å; R25-K109 HydrophobicContact CG-CG 4.5Å; N26-K109 WeakPolarHBondContact OD1-CE 3.41Å; N26-K109 PolarHBondContact OD1-NZ 2.97Å; K109-I113 HydrophobicContact CB-CG2 4.46Å; K109-I113 HydrophobicContact CD-CG2 4.17Å; K109-L114 HydrophobicContact CB-CD2 4.18Å; K109-L114 HydrophobicContact CB-CG 4.16Å; K109-L114 HydrophobicContact CD-CD2 4.04Å; K109-E117 IonicContact NZ-OE1 3.88Å; K109-E117 PolarHBondContact NZ-OE1 3.15Å; K109-E117 IonicContact NZ-OE2 3.89Å; K109-E117 PolarHBondContact NZ-OE2 3.1Å; K109-E117 VanDerWaalsContact NZ-OE2 3.15Å
110T94.1Very high94.3Very high73 Ų7376.1 Ų76.145%0.44837%0.365SS..PPolyproline II helixtrans-73.8154.4173.760.50000110.5N112 I113 L114T110-N112 PolarHBondContact O-N 3.48Å; T110-I113 PolarHBondContact O-N 3.39Å; T110-I113 WeakPolarHBondContact OG1-CD1 3.47Å; T110-I113 VanDerWaalsContact OG1-CG1 3.29Å; T110-I113 WeakPolarHBondContact OG1-CG1 3.29Å; T110-L114 PolarHBondContact O-N 3.37Å; T110-L114 VanDerWaalsContact O-N 3.15Å
111K92.5Very high93.9Very high169 Ų16979.9 Ų79.974%0.73539%0.39SS*.Hα-helixtrans-54.4-38.5177-68-179.2177.91790112.2I113 L114 E115K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 3.48Å; K111-L114 PolarHBondContact O-N 3.11Å; K111-E115 WeakPolarHBondContact O-CG 3.5Å; K111-E115 PolarHBondContact O-N 3Å
112N94.1Very high93.4Very high124 Ų12478.1 Ų78.166%0.66339%0.389SS*.Hα-helixtrans-61.9-40.7178.2-60.8-2.8000112.3T110 H116T110-N112 PolarHBondContact O-N 3.48Å; N112-H116 WeakPolarHBondContact O-CB 3.41Å; N112-H116 PolarHBondContact O-N 3.49Å
113I94.1Very high92.6Very high79 Ų7983.7 Ų83.741%0.40541%0.414SS..Hα-helixtrans-65.8-43.7176.8-66.6167.9000109.8K109 T110 K111 E115 H116 E117K109-I113 HydrophobicContact CB-CG2 4.46Å; K109-I113 HydrophobicContact CD-CG2 4.17Å; T110-I113 PolarHBondContact O-N 3.39Å; T110-I113 WeakPolarHBondContact OG1-CD1 3.47Å; T110-I113 VanDerWaalsContact OG1-CG1 3.29Å; T110-I113 WeakPolarHBondContact OG1-CG1 3.29Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 3.48Å; I113-E115 PolarHBondContact O-N 3.27Å; I113-H116 PolarHBondContact O-N 3.4Å; I113-E117 HydrophobicContact CG2-CG 4.44Å; I113-E117 WeakPolarHBondContact O-CG 3.34Å; I113-E117 PolarHBondContact O-N 3.15Å
114L93.1Very high91.6Very high46 Ų4687.1 Ų87.124%0.24144%0.443CS..Hα-helixtrans-63.8-42178.7-67172.1000112.4Y23 K109 T110 K111 E117 R118Y23-L114 HydrophobicContact CD1-CD2 4.43Å; Y23-L114 HydrophobicContact CD2-CD1 3.98Å; Y23-L114 HydrophobicContact CD2-CD2 3.85Å; Y23-L114 HydrophobicContact CG-CD2 3.79Å; K109-L114 HydrophobicContact CB-CD2 4.18Å; K109-L114 HydrophobicContact CB-CG 4.16Å; K109-L114 HydrophobicContact CD-CD2 4.04Å; T110-L114 PolarHBondContact O-N 3.37Å; T110-L114 VanDerWaalsContact O-N 3.15Å; K111-L114 PolarHBondContact O-N 3.11Å; L114-E117 PolarHBondContact O-N 3.14Å; L114-R118 WeakPolarHBondContact O-CB 3.33Å; L114-R118 PolarHBondContact O-N 3.31Å
115E94.1Very high91Very high110 Ų11092.2 Ų92.251%0.51446%0.462SS..Hα-helixtrans-64.4-42.3175.3-74.9179.2-177.800111.6K111 I113 R118 V119K111-E115 WeakPolarHBondContact O-CG 3.5Å; K111-E115 PolarHBondContact O-N 3Å; I113-E115 PolarHBondContact O-N 3.27Å; E115-R118 PolarHBondContact O-N 3.26Å; E115-V119 WeakPolarHBondContact O-CB 3.25Å; E115-V119 VanDerWaalsContact O-CG2 3.28Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 3.5Å
116H94Very high90.5Very high130 Ų13086.3 Ų86.360%0.60245%0.445SS*.Hα-helixtrans-62.7-44.9176.1-179.2-87.6000112N112 I113 R118 V119 T120N112-H116 WeakPolarHBondContact O-CB 3.41Å; N112-H116 PolarHBondContact O-N 3.49Å; I113-H116 PolarHBondContact O-N 3.4Å; H116-R118 VanDerWaalsContact C-N 3.35Å; H116-R118 PolarHBondContact O-N 3.41Å; H116-V119 PolarHBondContact O-N 2.94Å; H116-T120 PolarHBondContact CE1-OG1 3.46Å; H116-T120 WeakPolarHBondContact O-CB 3.26Å; H116-T120 PolarHBondContact O-N 2.99Å; H116-T120 PolarHBondContact O-OG1 2.92Å
117E91.8Very high90.1Very high68 Ų6888.2 Ų88.232%0.31846%0.461SS..Hα-helixtrans-58-48.2174.3-75.3177.218000110.3K109 I113 L114 V119 T120 T121K109-E117 IonicContact NZ-OE1 3.88Å; K109-E117 PolarHBondContact NZ-OE1 3.15Å; K109-E117 IonicContact NZ-OE2 3.89Å; K109-E117 PolarHBondContact NZ-OE2 3.1Å; K109-E117 VanDerWaalsContact NZ-OE2 3.15Å; I113-E117 HydrophobicContact CG2-CG 4.44Å; I113-E117 WeakPolarHBondContact O-CG 3.34Å; I113-E117 PolarHBondContact O-N 3.15Å; L114-E117 PolarHBondContact O-N 3.14Å; E117-V119 PolarHBondContact O-N 3.3Å; E117-T120 PolarHBondContact O-N 2.86Å; E117-T120 VanDerWaalsContact O-N 3.16Å; E117-T121 PolarHBondContact O-N 3.33Å; E117-T121 PolarHBondContact O-OG1 3.14Å; E117-T121 VanDerWaalsContact O-OG1 3.04Å
118R91.4Very high89.8Confident183 Ų18390.8 Ų90.869%0.69148%0.482SS*.Hα-helixtrans-59.5-45177.9-170.3-18071145.80112.6L114 E115 H116 T120 A122L114-R118 WeakPolarHBondContact O-CB 3.33Å; L114-R118 PolarHBondContact O-N 3.31Å; E115-R118 PolarHBondContact O-N 3.26Å; H116-R118 VanDerWaalsContact C-N 3.35Å; H116-R118 PolarHBondContact O-N 3.41Å; R118-T120 VanDerWaalsContact C-N 3.32Å; R118-A122 WeakPolarHBondContact O-CB 3.14Å; R118-A122 PolarHBondContact O-N 3.05Å
119V92Very high89.6Confident65 Ų6596.2 Ų96.239%0.39450%0.503SS..Hα-helixtrans-65.8-38.2177.9170.60000110.8E115 H116 E117 A122 K123E115-V119 WeakPolarHBondContact O-CB 3.25Å; E115-V119 VanDerWaalsContact O-CG2 3.28Å; E115-V119 WeakPolarHBondContact O-CG2 3.35Å; E115-V119 PolarHBondContact O-N 3.5Å; H116-V119 PolarHBondContact O-N 2.94Å; E117-V119 PolarHBondContact O-N 3.3Å; V119-A122 PolarHBondContact O-N 3.21Å; V119-K123 HydrophobicContact CG1-CD 3.92Å; V119-K123 VanDerWaalsContact CG1-CE 3.48Å; V119-K123 HydrophobicContact CG1-CG 4.28Å; V119-K123 WeakPolarHBondContact O-CB 3.37Å; V119-K123 VanDerWaalsContact O-CG 3.24Å; V119-K123 WeakPolarHBondContact O-CG 3.25Å; V119-K123 PolarHBondContact O-N 3.21Å
120T92.1Very high89.5Confident71 Ų7198.9 Ų98.944%0.43652%0.515SS..Hα-helixtrans-66.4-44.5178.9-55.70000111.2H116 E117 R118 K123 A124H116-T120 PolarHBondContact CE1-OG1 3.46Å; H116-T120 WeakPolarHBondContact O-CB 3.26Å; H116-T120 PolarHBondContact O-N 2.99Å; H116-T120 PolarHBondContact O-OG1 2.92Å; E117-T120 PolarHBondContact O-N 2.86Å; E117-T120 VanDerWaalsContact O-N 3.16Å; R118-T120 VanDerWaalsContact C-N 3.32Å; T120-K123 PolarHBondContact O-N 2.9Å; T120-A124 PolarHBondContact O-N 3.01Å; T120-A124 VanDerWaalsContact O-N 3.17Å
121T87.6Confident89.4Confident96 Ų9696.4 Ų96.459%0.58950%0.504SS*.Hα-helixtrans-62.5-44.3174.9-51.40000111.4E117 K123 A124E117-T121 PolarHBondContact O-N 3.33Å; E117-T121 PolarHBondContact O-OG1 3.14Å; E117-T121 VanDerWaalsContact O-OG1 3.04Å; T121-K123 PolarHBondContact O-N 2.82Å; T121-A124 WeakPolarHBondContact O-CB 3.43Å; T121-A124 PolarHBondContact O-N 3.5Å
122A84.7Confident89.4Confident60 Ų6097 Ų9750%0.49651%0.509SS..Hα-helixtrans-65.2-37.2177.800000112.9R118 V119 A124 E125R118-A122 WeakPolarHBondContact O-CB 3.14Å; R118-A122 PolarHBondContact O-N 3.05Å; V119-A122 PolarHBondContact O-N 3.21Å; A122-A124 VanDerWaalsContact C-N 3.26Å; A122-A124 PolarHBondContact O-N 3.3Å; A122-E125 PolarHBondContact O-N 3.08Å
123K79Confident89.1Confident161 Ų16196.8 Ų96.870%0.752%0.517SS*.Hα-helixtrans-67-26.4176.1-78.5175.2178.2177.60113.1V119 T120 T121 E125V119-K123 HydrophobicContact CG1-CD 3.92Å; V119-K123 VanDerWaalsContact CG1-CE 3.48Å; V119-K123 HydrophobicContact CG1-CG 4.28Å; V119-K123 WeakPolarHBondContact O-CB 3.37Å; V119-K123 VanDerWaalsContact O-CG 3.24Å; V119-K123 WeakPolarHBondContact O-CG 3.25Å; V119-K123 PolarHBondContact O-N 3.21Å; T120-K123 PolarHBondContact O-N 2.9Å; T121-K123 PolarHBondContact O-N 2.82Å; K123-E125 PolarHBondContact O-N 2.95Å
124A76.3Confident88.9Confident74 Ų7497.4 Ų97.461%0.61252%0.515SS*.Hα-helixtrans-64.5-29.6175.800000111.5T120 T121 A122 N126T120-A124 PolarHBondContact O-N 3.01Å; T120-A124 VanDerWaalsContact O-N 3.17Å; T121-A124 WeakPolarHBondContact O-CB 3.43Å; T121-A124 PolarHBondContact O-N 3.5Å; A122-A124 VanDerWaalsContact C-N 3.26Å; A122-A124 PolarHBondContact O-N 3.3Å; A124-N126 PolarHBondContact O-N 3.37Å; A124-N126 VanDerWaalsContact O-N 3.08Å
125E81.7Confident88.7Confident147 Ų147100.6 Ų100.669%0.68754%0.538SS*.SBendtrans-81.281172.4-63.6-178.3175.400110.1A122 K123 P127A122-E125 PolarHBondContact O-N 3.08Å; K123-E125 PolarHBondContact O-N 2.95Å; E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.05Å
126N85.2Confident88.6Confident61 Ų6199.7 Ų99.733%0.32653%0.53SS..  trans-69.2118.1176.1-176.6-5.7000110.2A124 A128 Y129A124-N126 PolarHBondContact O-N 3.37Å; A124-N126 VanDerWaalsContact O-N 3.08Å; N126-A128 PolarHBondContact O-N 3.39Å; N126-A128 WeakPolarHBondContact OD1-CB 3.23Å; N126-A128 PolarHBondContact OD1-N 3.37Å; N126-Y129 HydrophobicContact CB-CD1 4.36Å; N126-Y129 HydrophobicContact CB-CD2 3.65Å; N126-Y129 HydrophobicContact CB-CE1 4.25Å; N126-Y129 HydrophobicContact CB-CE2 3.52Å; N126-Y129 HydrophobicContact CB-CG 4.07Å; N126-Y129 PolarHBondContact O-N 2.93Å
127P87.4Confident88.6Confident94 Ų9499.8 Ų99.861%0.6153%0.531SS*.THydrogen-bonded Turntrans-67-8.9-178.628.8-37000113.9E125E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.05Å
128A88.9Confident88.7Confident59 Ų5999.5 Ų99.549%0.48854%0.536SS..THydrogen-bonded Turntrans-84-8.9174.400000113.6N126 F130N126-A128 PolarHBondContact O-N 3.39Å; N126-A128 WeakPolarHBondContact OD1-CB 3.23Å; N126-A128 PolarHBondContact OD1-N 3.37Å; A128-F130 WeakPolarHBondContact O-CE2 3.42Å
129Y92.1Very high88.9Confident117 Ų11794.7 Ų94.746%0.45952%0.523SS..  trans-76.1148.9176.1-65.8-25.8000111.9N126 Y134N126-Y129 HydrophobicContact CB-CD1 4.36Å; N126-Y129 HydrophobicContact CB-CD2 3.65Å; N126-Y129 HydrophobicContact CB-CE1 4.25Å; N126-Y129 HydrophobicContact CB-CE2 3.52Å; N126-Y129 HydrophobicContact CB-CG 4.07Å; N126-Y129 PolarHBondContact O-N 2.93Å; Y129-Y134 AromaticContact CD2-CE1 3.82Å; Y129-Y134 HydrophobicContact CD2-CE1 3.82Å; Y129-Y134 AromaticContact CD2-CZ 3.8Å; Y129-Y134 HydrophobicContact CG-CE1 4.24Å
130F93.9Very high89Confident90 Ų9093.3 Ų93.340%0.39552%0.516SS..  trans-116145.4177.8-61.6-86000109.6A128 R136 I139 M142A128-F130 WeakPolarHBondContact O-CE2 3.42Å; F130-R136 CarbonylContact C-O 3.58Å; F130-R136 VanDerWaalsContact CA-O 3.25Å; F130-R136 WeakPolarHBondContact CA-O 3.46Å; F130-R136 HydrophobicContact CD1-CB 3.83Å; F130-R136 HydrophobicContact CE1-CB 4.08Å; F130-I139 HydrophobicContact CE1-CB 4.19Å; F130-I139 HydrophobicContact CE1-CG1 4.32Å; F130-I139 HydrophobicContact CZ-CB 4.22Å; F130-I139 HydrophobicContact CZ-CD1 4.3Å; F130-I139 HydrophobicContact CZ-CG1 3.99Å; F130-M142 HydrophobicContact CE1-CG 4.45Å
131G92.4Very high89Confident21 Ų2195.1 Ų95.122%0.21652%0.519CS..SBendtrans151.9-178.9176.400000112.3S133 Y134 R136 Q137G131-S133 PolarHBondContact O-N 3.33Å; G131-Y134 PolarHBondContact O-N 2.88Å; G131-R136 PolarHBondContact N-O 2.9Å; G131-Q137 WeakPolarHBondContact O-CA 3.23Å
132E91.5Very high89.2Confident182 Ų18293.8 Ų93.885%0.8551%0.507SS*.THydrogen-bonded Turntrans-63.3-41-176.4-175.5175.5-16800113.1Y134E132-Y134 VanDerWaalsContact C-N 3.27Å; E132-Y134 PolarHBondContact O-N 2.92Å
133S88.8Confident89.6Confident119 Ų119100.2 Ų100.283%0.83253%0.527SS*.THydrogen-bonded Turntrans-82.7-2.2179.5-45.50000113.9G131G131-S133 PolarHBondContact O-N 3.33Å
134Y89.3Confident90.4Very high92 Ų9296.5 Ų96.536%0.36153%0.534SS..SBendtrans-104.5160.9-178.2-66.3-74.5000110.5Y129 G131 E132 R136Y129-Y134 AromaticContact CD2-CE1 3.82Å; Y129-Y134 HydrophobicContact CD2-CE1 3.82Å; Y129-Y134 AromaticContact CD2-CZ 3.8Å; Y129-Y134 HydrophobicContact CG-CE1 4.24Å; G131-Y134 PolarHBondContact O-N 2.88Å; E132-Y134 VanDerWaalsContact C-N 3.27Å; E132-Y134 PolarHBondContact O-N 2.92Å; Y134-R136 PolarHBondContact O-N 2.86Å
135P89.1Confident91.3Very high113 Ų11397.9 Ų97.973%0.73453%0.528SS*.SBendtrans-58-23.5-178.4-26.234.7000114.6
136R91Very high91.8Very high90 Ų9096.6 Ų96.634%0.3452%0.522SS..  trans-127.8128.1179.2-71.3-176.8-85.6-126-2.4109.8F130 G131 Y134 E141 M142F130-R136 CarbonylContact C-O 3.58Å; F130-R136 VanDerWaalsContact CA-O 3.25Å; F130-R136 WeakPolarHBondContact CA-O 3.46Å; F130-R136 HydrophobicContact CD1-CB 3.83Å; F130-R136 HydrophobicContact CE1-CB 4.08Å; G131-R136 PolarHBondContact N-O 2.9Å; Y134-R136 PolarHBondContact O-N 2.86Å; R136-E141 WeakPolarHBondContact CA-OE2 3.42Å; R136-E141 WeakPolarHBondContact CB-OE2 3.16Å; R136-M142 VanDerWaalsContact CD-SD 3.59Å; R136-M142 PolarHBondContact NH1-SD 3.18Å
137Q93.9Very high92.3Very high133 Ų13396 Ų9662%0.62152%0.522SS*.SBendtrans-82.4-42.8-180-171.3177.36.800111.8G131 E141G131-Q137 WeakPolarHBondContact O-CA 3.23Å; Q137-E141 PolarHBondContact N-OE2 3.33Å
138C94.4Very high92.7Very high61 Ų6194 Ų9441%0.41251%0.509SS..SBendtrans-137.2150.5-177.4-1750000110.7C140 E141C138-C140 PolarHBondContact O-N 2.81Å; C138-C140 VanDerWaalsContact O-N 3.12Å; C138-E141 PolarHBondContact O-N 3.09Å
139I95.8Very high93Very high83 Ų8394.9 Ų94.943%0.42651%0.51SS..G310 helixtrans-64.1-17.4179.9-161.4166000113.2F130 E141 M142 Q145F130-I139 HydrophobicContact CE1-CB 4.19Å; F130-I139 HydrophobicContact CE1-CG1 4.32Å; F130-I139 HydrophobicContact CZ-CB 4.22Å; F130-I139 HydrophobicContact CZ-CD1 4.3Å; F130-I139 HydrophobicContact CZ-CG1 3.99Å; I139-E141 PolarHBondContact O-N 3.13Å; I139-E141 VanDerWaalsContact O-N 3.14Å; I139-M142 HydrophobicContact CG1-CG 4.26Å; I139-M142 VanDerWaalsContact O-CB 3.27Å; I139-M142 WeakPolarHBondContact O-CB 3.31Å; I139-M142 PolarHBondContact O-N 2.6Å; I139-Q145 HydrophobicContact CG1-CG 4.08Å
140C94Very high93.1Very high35 Ų3594.7 Ų94.724%0.23653%0.526CS..G310 helixtrans-63.5-15.7176.263.10000114C138 M142 Q146 C148C138-C140 PolarHBondContact O-N 2.81Å; C138-C140 VanDerWaalsContact O-N 3.12Å; C140-M142 VanDerWaalsContact C-N 3.25Å; C140-Q146 WeakPolarHBondContact CB-O 3.2Å; C140-C148 HydrophobicContact CB-CB 4.3Å
141E91.8Very high93.1Very high109 Ų10996.1 Ų96.151%0.50954%0.542SS..G310 helixtrans-76-14.9172.5-66.2171.4-178.700112.5R136 Q137 C138 I139R136-E141 WeakPolarHBondContact CA-OE2 3.42Å; R136-E141 WeakPolarHBondContact CB-OE2 3.16Å; Q137-E141 PolarHBondContact N-OE2 3.33Å; C138-E141 PolarHBondContact O-N 3.09Å; I139-E141 PolarHBondContact O-N 3.13Å; I139-E141 VanDerWaalsContact O-N 3.14Å
142M92.3Very high93.1Very high68 Ų6898.6 Ų98.634%0.33555%0.552SS.*SBendtrans-79.5125.9177.5-66.2-64.9-71.600110.7F130 R136 I139 C140 G144 Q145F130-M142 HydrophobicContact CE1-CG 4.45Å; R136-M142 VanDerWaalsContact CD-SD 3.59Å; R136-M142 PolarHBondContact NH1-SD 3.18Å; I139-M142 HydrophobicContact CG1-CG 4.26Å; I139-M142 VanDerWaalsContact O-CB 3.27Å; I139-M142 WeakPolarHBondContact O-CB 3.31Å; I139-M142 PolarHBondContact O-N 2.6Å; C140-M142 VanDerWaalsContact C-N 3.25Å; M142-G144 PolarHBondContact O-N 3.48Å; M142-Q145 HydrophobicContact CB-CB 4.4Å; M142-Q145 HydrophobicContact CB-CG 3.73Å; M142-Q145 WeakPolarHBondContact O-CB 3.45Å; M142-Q145 PolarHBondContact O-N 3.28Å; M142-Q145 VanDerWaalsContact O-N 3.1Å
143Q93.4Very high93.3Very high195 Ų19594 Ų9491%0.91154%0.539SS*.THydrogen-bonded Turntrans-58.3138.8173.8-68.5-177.1-7.500111.1Q145Q143-Q145 VanDerWaalsContact C-N 3.29Å
144G94.8Very high93.5Very high83 Ų8390.4 Ų90.486%0.85651%0.51SS*.THydrogen-bonded Turntrans86.5-10.6-175.200000114.5M142M142-G144 PolarHBondContact O-N 3.48Å
145Q94.5Very high93.7Very high104 Ų10488.5 Ų88.549%0.48651%0.509SS..SBendtrans-89.2166.9173.7-57.9-62.4-25.400111.6I139 M142 Q143I139-Q145 HydrophobicContact CG1-CG 4.08Å; M142-Q145 HydrophobicContact CB-CB 4.4Å; M142-Q145 HydrophobicContact CB-CG 3.73Å; M142-Q145 WeakPolarHBondContact O-CB 3.45Å; M142-Q145 PolarHBondContact O-N 3.28Å; M142-Q145 VanDerWaalsContact O-N 3.1Å; Q143-Q145 VanDerWaalsContact C-N 3.29Å
146Q92.7Very high93.9Very high119 Ų11987 Ų8756%0.55649%0.494SS*.PPolyproline II helixtrans-67.6127.7176.8-68-63.3-39.800110.2C140C140-Q146 WeakPolarHBondContact CB-O 3.2Å
147P95.3Very high93.9Very high50 Ų5089.8 Ų89.833%0.32551%0.506SS..PPolyproline II helixtrans-68.4157.7178.829.4-35.2000111.1V152P147-V152 HydrophobicContact CB-CB 4.04Å; P147-V152 HydrophobicContact CB-CG2 4.11Å; P147-V152 HydrophobicContact CG-CB 3.75Å; P147-V152 HydrophobicContact CG-CG1 4.15Å; P147-V152 HydrophobicContact CG-CG2 4.16Å
148C95.7Very high93.7Very high51 Ų5187.5 Ų87.535%0.34550%0.496SS..PPolyproline II helixtrans-62.7132.9177.9-175.10000110.4C140 S150 V151 V152C140-C148 HydrophobicContact CB-CB 4.3Å; C148-S150 PolarHBondContact O-N 2.99Å; C148-V151 HydrophobicContact CB-CG2 4.43Å; C148-V151 PolarHBondContact O-N 3.23Å; C148-V152 PolarHBondContact O-N 3.37Å
149P95.5Very high93.6Very high77 Ų7789.2 Ų89.250%0.549%0.494SS..THydrogen-bonded Turntrans-57.9-22.6178.9-2533.5000114.4V151 V152 L154P149-V151 VanDerWaalsContact C-N 3.32Å; P149-V152 WeakPolarHBondContact CA-O 3.4Å; P149-L154 HydrophobicContact CB-CD1 4.36Å; P149-L154 HydrophobicContact CB-CG 4.21Å; P149-L154 HydrophobicContact CG-CD1 3.76Å; P149-L154 HydrophobicContact CG-CG 3.91Å
150S94.5Very high93.3Very high114 Ų11487.5 Ų87.580%0.79750%0.496SS*.THydrogen-bonded Turntrans-68.3-31.6175.4-1680000112.4C148C148-S150 PolarHBondContact O-N 2.99Å
151V93.7Very high93.1Very high120 Ų12092 Ų9273%0.72751%0.512SS*.THydrogen-bonded Turntrans-95.8-50.5-178.4-176.60000110.7C148 P149C148-V151 HydrophobicContact CB-CG2 4.43Å; C148-V151 PolarHBondContact O-N 3.23Å; P149-V151 VanDerWaalsContact C-N 3.32Å
152V94Very high92.9Very high73 Ų7392.4 Ų92.444%0.44251%0.509SS..SBendtrans-122.7111.3178.2-178.10000107.8P147 C148 P149 L154P147-V152 HydrophobicContact CB-CB 4.04Å; P147-V152 HydrophobicContact CB-CG2 4.11Å; P147-V152 HydrophobicContact CG-CB 3.75Å; P147-V152 HydrophobicContact CG-CG1 4.15Å; P147-V152 HydrophobicContact CG-CG2 4.16Å; C148-V152 PolarHBondContact O-N 3.37Å; P149-V152 WeakPolarHBondContact CA-O 3.4Å; V152-L154 PolarHBondContact O-N 2.92Å
153P94.3Very high92.6Very high86 Ų8696.6 Ų96.656%0.55852%0.521SS*.PPolyproline II helixtrans-68.7132.2-174.632.4-37.9000109.6
154L93.8Very high92.2Very high43 Ų4396.6 Ų96.623%0.22551%0.513CS..PPolyproline II helixtrans-61.1152.7-174.6-69.3172.6000112.1P149 V152 R159P149-L154 HydrophobicContact CB-CD1 4.36Å; P149-L154 HydrophobicContact CB-CG 4.21Å; P149-L154 HydrophobicContact CG-CD1 3.76Å; P149-L154 HydrophobicContact CG-CG 3.91Å; V152-L154 PolarHBondContact O-N 2.92Å; L154-R159 HydrophobicContact CB-CG 4.17Å; L154-R159 PolarHBondContact O-NE 3.13Å; L154-R159 PolarHBondContact O-NH2 2.91Å
155P94Very high91.5Very high52 Ų5296.4 Ų96.434%0.33849%0.492SS..PPolyproline II helixtrans-57.8147.4171.7-23.533.8000112.5Y157 M158 R159P155-Y157 VanDerWaalsContact C-N 3.27Å; P155-Y157 HydrophobicContact CB-CD1 3.58Å; P155-Y157 HydrophobicContact CB-CE1 3.14Å; P155-Y157 HydrophobicContact CB-CG 4.47Å; P155-Y157 HydrophobicContact CG-CE1 3.88Å; P155-Y157 PolarHBondContact O-N 3.13Å; P155-M158 PolarHBondContact O-N 2.77Å; P155-R159 PolarHBondContact O-N 3.26Å
156D91.6Very high90.5Very high81 Ų81100.5 Ų100.543%0.43351%0.508SS..G310 helixtrans-58-38.3-172.8-73.5-32000113.1M158 R159 W162D156-M158 PolarHBondContact O-N 3.05Å; D156-M158 VanDerWaalsContact O-N 3.12Å; D156-R159 PolarHBondContact O-N 3.4Å; D156-R159 IonicContact OD1-CZ 3.86Å; D156-R159 IonicContact OD1-NE 3.99Å; D156-W162 HydrophobicContact CB-CD2 4.45Å; D156-W162 HydrophobicContact CB-CG 3.94Å; D156-W162 WeakPolarHBondContact O-CB 3.33Å; D156-W162 VanDerWaalsContact O-CD1 3.32Å; D156-W162 PolarHBondContact OD1-NE1 2.88Å
157Y91.5Very high89.4Confident148 Ų148101.7 Ų101.758%0.5852%0.519SS*.G310 helixtrans-64.7-15.917868.8-93.9000114.7P155 R163P155-Y157 VanDerWaalsContact C-N 3.27Å; P155-Y157 HydrophobicContact CB-CD1 3.58Å; P155-Y157 HydrophobicContact CB-CE1 3.14Å; P155-Y157 HydrophobicContact CB-CG 4.47Å; P155-Y157 HydrophobicContact CG-CE1 3.88Å; P155-Y157 PolarHBondContact O-N 3.13Å; Y157-R163 PolarHBondContact O-NE 3.36Å; Y157-R163 VanDerWaalsContact O-NE 3.12Å
158M91.1Very high87.8Confident85 Ų85102.8 Ų102.842%0.41952%0.521SS..G310 helixtrans-95-17.2174.1-71.4-176.316500112.9P155 D156P155-M158 PolarHBondContact O-N 2.77Å; D156-M158 PolarHBondContact O-N 3.05Å; D156-M158 VanDerWaalsContact O-N 3.12Å
159R91.1Very high85.8Confident98 Ų98109.4 Ų109.437%0.3757%0.566SS.*SBendtrans-82.3133.4-179.4-57.2-174-166.9172.219.9110.4L154 P155 D156 K161 W162 R163L154-R159 HydrophobicContact CB-CG 4.17Å; L154-R159 PolarHBondContact O-NE 3.13Å; L154-R159 PolarHBondContact O-NH2 2.91Å; P155-R159 PolarHBondContact O-N 3.26Å; D156-R159 PolarHBondContact O-N 3.4Å; D156-R159 IonicContact OD1-CZ 3.86Å; D156-R159 IonicContact OD1-NE 3.99Å; R159-K161 PolarHBondContact O-N 2.79Å; R159-K161 VanDerWaalsContact O-N 3.1Å; R159-W162 PolarHBondContact O-N 2.71Å; R159-W162 VanDerWaalsContact O-N 3.13Å; R159-R163 PolarHBondContact O-N 2.81Å
160G90Very high85.3Confident46 Ų46111.1 Ų111.147%0.47457%0.569SS.*Hα-helixtrans-55.7-31.3179.600000114.1W162 W164G160-W162 PolarHBondContact O-N 3.39Å; G160-W164 PolarHBondContact O-N 3.4Å
161K88.9Confident84.8Confident130 Ų130110.9 Ų110.957%0.56556%0.557SS**Hα-helixtrans-56.2-44.1176.9-177-179.4176.6-1750112.7R159 N165 L168R159-K161 PolarHBondContact O-N 2.79Å; R159-K161 VanDerWaalsContact O-N 3.1Å; K161-N165 WeakPolarHBondContact O-CB 3.24Å; K161-N165 PolarHBondContact O-N 3Å; K161-L168 HydrophobicContact CD-CD1 4.31Å; K161-L168 HydrophobicContact CG-CD1 3.72Å
162W88.3Confident84.3Confident117 Ų117110.4 Ų110.444%0.44355%0.548SS..Hα-helixtrans-90.3-30.6-176.5-57.7111.2000113D156 R159 G160 L168D156-W162 HydrophobicContact CB-CD2 4.45Å; D156-W162 HydrophobicContact CB-CG 3.94Å; D156-W162 WeakPolarHBondContact O-CB 3.33Å; D156-W162 VanDerWaalsContact O-CD1 3.32Å; D156-W162 PolarHBondContact OD1-NE1 2.88Å; R159-W162 PolarHBondContact O-N 2.71Å; R159-W162 VanDerWaalsContact O-N 3.13Å; G160-W162 PolarHBondContact O-N 3.39Å; W162-L168 HydrophobicContact CE3-CB 4.43Å; W162-L168 HydrophobicContact CE3-CD1 4.34Å; W162-L168 HydrophobicContact CZ3-CB 4.23Å; W162-L168 HydrophobicContact CZ3-CD1 4.42Å
163R85.8Confident83.7Confident156 Ų156112.6 Ų112.659%0.58955%0.554SS**Hα-helixtrans-67-41.4179.3-119.4-177.9-167.3-155.1-2.1112.6Y157 R159Y157-R163 PolarHBondContact O-NE 3.36Å; Y157-R163 VanDerWaalsContact O-NE 3.12Å; R159-R163 PolarHBondContact O-N 2.81Å
164W84.9Confident83.1Confident196 Ų196114.3 Ų114.374%0.74255%0.554SS**Hα-helixtrans-110.5-20.9-168.5-57.7144.6000115.2G160 K166G160-W164 PolarHBondContact O-N 3.4Å; W164-K166 PolarHBondContact O-N 2.69Å
165N81.2Confident82.4Confident78 Ų78119 Ų11942%0.41758%0.576SS.*  trans-90.592.4-178.1-151.3-1.8000110.4K161 N167 L168K161-N165 WeakPolarHBondContact O-CB 3.24Å; K161-N165 PolarHBondContact O-N 3Å; N165-N167 PolarHBondContact O-N 3.13Å; N165-N167 VanDerWaalsContact O-N 3.15Å; N165-L168 HydrophobicContact CB-CD1 4Å; N165-L168 HydrophobicContact CB-CG 4.47Å
166K72Confident81.5Confident191 Ų191123.8 Ų123.883%0.8359%0.593SS**G310 helixtrans-67.3-8.3179.3-63.7-173.8-178.9-1780114W164 L168W164-K166 PolarHBondContact O-N 2.69Å; K166-L168 VanDerWaalsContact C-N 3.32Å
167N71.4Confident80.8Confident144 Ų144127.1 Ų127.177%0.7761%0.605SS**G310 helixtrans-89.98.5-176.2-59.9-15.2000113.4N165N165-N167 PolarHBondContact O-N 3.13Å; N165-N167 VanDerWaalsContact O-N 3.15Å
168L61.4Low79.9Confident72 Ų72125.3 Ų125.338%0.37761%0.607SS.*G310 helixtrans-104.416.7-176.4-78.1172.5000114K161 W162 N165 K166K161-L168 HydrophobicContact CD-CD1 4.31Å; K161-L168 HydrophobicContact CG-CD1 3.72Å; W162-L168 HydrophobicContact CE3-CB 4.43Å; W162-L168 HydrophobicContact CE3-CD1 4.34Å; W162-L168 HydrophobicContact CZ3-CB 4.23Å; W162-L168 HydrophobicContact CZ3-CD1 4.42Å; N165-L168 HydrophobicContact CB-CD1 4Å; N165-L168 HydrophobicContact CB-CG 4.47Å; K166-L168 VanDerWaalsContact C-N 3.32Å
169C52.4Low78.8Confident191 Ų191129 Ų129100%1.29162%0.624SS**  trans-105.20171-63.50000110.8

Retrieved 169 of 169 residues in 77.4 ms (Link to these results)

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