A0A060WQ88_ONCMY Loading...

Protein NATD1

AlphaFold DB , UniProt , Accession A0A060WQ88, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene natd1, Length 111 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
1M44.3Very low45.9Very low250 Ų250145.7 Ų145.7100%1.23281%0.806SS**  0100.20-61.2-107.1-159.700107.2
2A39.3Very low46.6Very low105 Ų105138.3 Ų138.387%0.86876%0.763SS**  trans-14997.4170.200000106.4
3Q38.5Very low47.3Very low198 Ų198138.7 Ų138.793%0.92576%0.763SS**  trans-78.8136.1177.6-77.7175.1-20.200109.4
4A45Very low48.1Very low90 Ų90133.9 Ų133.974%0.74474%0.74SS**  trans-68.5131.6178.200000111.4Q6A4-Q6 PolarHBondContact O-N 3.1Å
5T45.6Very low49.6Very low136 Ų136132.1 Ų132.183%0.83474%0.737SS**  trans-86.193167.3-30.70000108.2M7T5-M7 PolarHBondContact O-N 2.64Å; T5-M7 VanDerWaalsContact O-N 3.16Å
6Q47.1Very low51.8Low174 Ų174127.4 Ų127.481%0.81371%0.709SS**  trans-67.2108.8167.7-88.4164.7-100108.6A4 N8A4-Q6 PolarHBondContact O-N 3.1Å; Q6-N8 PolarHBondContact O-N 3.24Å
7M41.8Very low54.1Low172 Ų172125.4 Ų125.485%0.84770%0.701SS**  trans-66.2101.3166.5-67.7-178.6-71.600107.4T5 V9T5-M7 PolarHBondContact O-N 2.64Å; T5-M7 VanDerWaalsContact O-N 3.16Å; M7-V9 PolarHBondContact O-N 3.39Å
8N46.5Very low56.5Low147 Ų147120.8 Ų120.879%0.78668%0.677SS**  trans-68.692.7-179.4-152.880000108.7Q6 P10Q6-N8 PolarHBondContact O-N 3.24Å; N8-P10 WeakPolarHBondContact O-CD 3.27Å
9V53.9Low58.6Low96 Ų96118.6 Ų118.658%0.58266%0.66SS**  trans-64.2120.8170.7-170.90000106.4M7 E11M7-V9 PolarHBondContact O-N 3.39Å; V9-E11 PolarHBondContact O-N 3.08Å
10P50.7Low60.6Low73 Ų73116 Ų11647%0.47464%0.643SS.*  trans-64.4109.3175.3-616.5000107.7N8 I12 R64N8-P10 WeakPolarHBondContact O-CD 3.27Å; P10-I12 PolarHBondContact O-N 2.82Å; P10-R64 PolarHBondContact O-NH1 2.82Å
11E52Low62.4Low162 Ų162112.9 Ų112.976%0.75763%0.625SS**  trans-63.3115.3169.1-71.3-172.7136.400107.9V9 N13V9-E11 PolarHBondContact O-N 3.08Å; E11-N13 PolarHBondContact O-N 2.88Å
12I54.3Low64.9Low57 Ų57105.8 Ų105.829%0.29259%0.587SS.*  trans-78.579.2172.16.8-179.1000107P10 T14 N32 R64 I66P10-I12 PolarHBondContact O-N 2.82Å; I12-T14 PolarHBondContact O-N 3.4Å; I12-N32 HydrophobicContact CG2-CB 4.47Å; I12-R64 HydrophobicContact CD1-CB 4.28Å; I12-I66 HydrophobicContact CD1-CD1 4.44Å
13N55.6Low67.6Low143 Ų143110.2 Ų110.277%0.76559%0.587SS**  trans-88.720.1174.4-139.3-49.9000111.9E11E11-N13 PolarHBondContact O-N 2.88Å
14T58.9Low70.4Confident71 Ų71107.1 Ų107.144%0.43657%0.57SS.*SBendtrans-107.7137.9177-47.20000108.6I12 I16 N32I12-T14 PolarHBondContact O-N 3.4Å; T14-I16 PolarHBondContact O-N 3.26Å; T14-N32 PolarHBondContact OG1-ND2 3.02Å
15P70.9Confident73Confident107 Ų107107.3 Ų107.370%0.69555%0.552SS**  trans-56.8123.317622-33.1000110.8T17P15-T17 PolarHBondContact O-N 3.08Å; P15-T17 VanDerWaalsContact O-N 3.13Å; P15-T17 PolarHBondContact O-OG1 3.06Å
16I84.3Confident75.5Confident57 Ų57101.7 Ų101.729%0.29252%0.516SS..  trans-63.9114.2175.3-64.7176.4000108T14 I29 I66 H69T14-I16 PolarHBondContact O-N 3.26Å; I16-I29 HydrophobicContact CG2-CD1 3.66Å; I16-I29 HydrophobicContact CG2-CG1 4.11Å; I16-I29 HydrophobicContact CG2-CG2 3.9Å; I16-I66 HydrophobicContact CD1-CG1 4.44Å; I16-H69 HydrophobicContact CG2-CB 4.13Å
17T91.1Very high77.9Confident93 Ų9393.6 Ų93.657%0.57148%0.478SS*.  trans-110.5127.9178.4-55.80000109.4P15P15-T17 PolarHBondContact O-N 3.08Å; P15-T17 VanDerWaalsContact O-N 3.13Å; P15-T17 PolarHBondContact O-OG1 3.06Å
18V96.4Very high80.6Confident44 Ų4485.9 Ų85.927%0.26744%0.441SS..  trans-94.7122.1174-175.50000108.9F27 I29 H69 L70 A73V18-F27 HydrophobicContact CG1-CB 3.92Å; V18-F27 HydrophobicContact CG1-CD1 4.05Å; V18-F27 HydrophobicContact CG1-CG 4.48Å; V18-I29 HydrophobicContact CB-CG1 4.38Å; V18-I29 HydrophobicContact CG2-CD1 3.91Å; V18-I29 HydrophobicContact CG2-CG1 3.77Å; V18-H69 HydrophobicContact CG2-CB 4.15Å; V18-L70 HydrophobicContact CG1-CD2 4.1Å; V18-A73 HydrophobicContact CB-CB 4.09Å; V18-A73 HydrophobicContact CG1-CB 3.7Å; V18-A73 HydrophobicContact CG2-CB 4.19Å
19E96.9Very high82.9Confident79 Ų7979.1 Ų79.137%0.36941%0.405SS..EExtended strand (participates in β ladder)trans-93.3130.9170.9-67.2176.8-162.300109.2F27 T28 R30E19-F27 CarbonylContact O-C 3.57Å; E19-F27 VanDerWaalsContact O-CA 3.3Å; E19-F27 WeakPolarHBondContact O-CA 3.36Å; E19-T28 PolarHBondContact N-O 2.62Å; E19-T28 PolarHBondContact O-N 3.45Å; E19-R30 IonicContact OE1-CZ 2.87Å; E19-R30 IonicContact OE1-NE 2.82Å; E19-R30 PolarHBondContact OE1-NE 3.21Å; E19-R30 IonicContact OE1-NH2 3.7Å; E19-R30 PolarHBondContact OE1-NH2 3.32Å; E19-R30 IonicContact OE2-CZ 3.83Å; E19-R30 IonicContact OE2-NE 2.62Å; E19-R30 PolarHBondContact OE2-NE 3.24Å; E19-R30 IonicContact OE2-NH2 3.41Å; E19-R30 PolarHBondContact OE2-NH2 3.43Å; E19-R30 VanDerWaalsContact OE2-NH2 3.08Å
20H98.4Very high84.7Confident66 Ų6683 Ų8331%0.30641%0.409SS..EExtended strand (participates in β ladder)trans-106.4113.6174.4-177.9-158.4000110.8K22 F27 Y42 F77H20-K22 WeakPolarHBondContact CE1-CG 3.48Å; H20-F27 HydrophobicContact CB-CD1 3.77Å; H20-F27 HydrophobicContact CB-CE1 3.68Å; H20-F27 AromaticContact CD2-CD1 3.74Å; H20-F27 AromaticContact CD2-CE1 3.35Å; H20-F27 WeakPolarHBondContact CD2-CE1 3.41Å; H20-F27 AromaticContact CD2-CE2 3.88Å; H20-F27 AromaticContact CD2-CZ 3.41Å; H20-F27 VanDerWaalsContact CD2-CZ 3.41Å; H20-F27 WeakPolarHBondContact CD2-CZ 3.36Å; H20-F27 AromaticContact CE1-CE1 3.86Å; H20-F27 AromaticContact CE1-CZ 3.61Å; H20-F27 AromaticContact CG-CD1 3.81Å; H20-F27 AromaticContact CG-CE1 3.32Å; H20-F27 AromaticContact CG-CZ 3.78Å; H20-F27 AromaticContact ND1-CE1 3.7Å; H20-F27 AromaticContact ND1-CZ 3.94Å; H20-F27 AromaticContact NE2-CE1 3.72Å; H20-F27 AromaticContact NE2-CE2 3.81Å; H20-F27 AromaticContact NE2-CZ 3.31Å; H20-F27 VanDerWaalsContact NE2-CZ 3.31Å; H20-F27 WeakPolarHBondContact NE2-CZ 3.48Å; H20-Y42 AromaticContact NE2-CE1 3.55Å; H20-Y42 AromaticContact NE2-CZ 3.7Å; H20-Y42 PolarHBondContact NE2-OH 3.49Å; H20-Y42 VanDerWaalsContact NE2-OH 3.08Å; H20-F77 AromaticContact CE1-CD2 3.39Å; H20-F77 WeakPolarHBondContact CE1-CD2 3.44Å; H20-F77 AromaticContact CE1-CE2 3.52Å; H20-F77 AromaticContact CE1-CG 3.74Å; H20-F77 AromaticContact CE1-CZ 3.98Å
21D97.9Very high86.5Confident50 Ų5079.9 Ų79.927%0.26739%0.388SS..EExtended strand (participates in β ladder)trans-101.892.9172.5-172.9-25.2000109.2K23 K24 R25 Q26D21-K23 PolarHBondContact O-N 2.55Å; D21-K23 WeakPolarHBondContact OD1-CB 3.46Å; D21-K23 PolarHBondContact OD1-N 2.85Å; D21-K23 VanDerWaalsContact OD1-N 3.08Å; D21-K24 HydrophobicContact CB-CB 4.23Å; D21-K24 CarbonylContact O-C 3.51Å; D21-K24 PolarHBondContact O-N 3.07Å; D21-K24 PolarHBondContact OD1-N 2.81Å; D21-K24 WeakPolarHBondContact OD2-CD 3.43Å; D21-K24 WeakPolarHBondContact OD2-CE 3.49Å; D21-K24 WeakPolarHBondContact OD2-CG 3.47Å; D21-K24 IonicContact OD2-NZ 3.34Å; D21-R25 WeakPolarHBondContact O-CA 3.28Å; D21-R25 PolarHBondContact O-N 3.12Å; D21-Q26 HydrophobicContact CB-CG 4.05Å; D21-Q26 PolarHBondContact N-O 3.01Å; D21-Q26 PolarHBondContact O-N 3.34Å; D21-Q26 VanDerWaalsContact O-N 3.13Å
22K97.3Very high87.5Confident102 Ų10275.7 Ų75.744%0.44337%0.371SS..THydrogen-bonded Turntrans-60.4-29.2179-72.5-176.2177.2-171.50113.2H20 R25 E81H20-K22 WeakPolarHBondContact CE1-CG 3.48Å; K22-R25 PolarHBondContact O-N 3.36Å; K22-E81 IonicContact NZ-OE1 3.62Å; K22-E81 PolarHBondContact NZ-OE1 2.95Å
23K97.1Very high87.8Confident198 Ų19877.3 Ų77.386%0.86140%0.402SS*.THydrogen-bonded Turntrans-72.8-42.5-179.8-69.8-178.3179.1178.60110.9D21 R25D21-K23 PolarHBondContact O-N 2.55Å; D21-K23 WeakPolarHBondContact OD1-CB 3.46Å; D21-K23 PolarHBondContact OD1-N 2.85Å; D21-K23 VanDerWaalsContact OD1-N 3.08Å; K23-R25 VanDerWaalsContact C-N 3.31Å
24K97.6Very high88Confident132 Ų13272.8 Ų72.857%0.57438%0.382SS*.THydrogen-bonded Turntrans-85.6-4.1175.6-65.3-175.7-168.91600113.7D21 Q26D21-K24 HydrophobicContact CB-CB 4.23Å; D21-K24 CarbonylContact O-C 3.51Å; D21-K24 PolarHBondContact O-N 3.07Å; D21-K24 PolarHBondContact OD1-N 2.81Å; D21-K24 WeakPolarHBondContact OD2-CD 3.43Å; D21-K24 WeakPolarHBondContact OD2-CE 3.49Å; D21-K24 WeakPolarHBondContact OD2-CG 3.47Å; D21-K24 IonicContact OD2-NZ 3.34Å; K24-Q26 VanDerWaalsContact C-N 3.32Å; K24-Q26 HydrophobicContact CB-CG 3.81Å; K24-Q26 PolarHBondContact O-N 2.85Å
25R98.4Very high88.6Confident94 Ų9479 Ų7936%0.35541%0.405SS..THydrogen-bonded Turntrans54.649178.8-50171.1-167.7178.52.8111.6D21 K22 K23 Y42 E43D21-R25 WeakPolarHBondContact O-CA 3.28Å; D21-R25 PolarHBondContact O-N 3.12Å; K22-R25 PolarHBondContact O-N 3.36Å; K23-R25 VanDerWaalsContact C-N 3.31Å; R25-Y42 VanDerWaalsContact C-CD1 3.41Å; R25-Y42 VanDerWaalsContact CA-CE1 3.42Å; R25-Y42 HydrophobicContact CB-CD1 4.17Å; R25-Y42 HydrophobicContact CB-CD2 4.11Å; R25-Y42 HydrophobicContact CB-CE1 3.95Å; R25-Y42 HydrophobicContact CB-CE2 3.88Å; R25-Y42 HydrophobicContact CB-CG 4.25Å; R25-Y42 WeakPolarHBondContact CB-O 3.36Å; R25-Y42 HydrophobicContact CG-CE2 4.24Å; R25-Y42 WeakPolarHBondContact O-CD1 3.22Å; R25-Y42 WeakPolarHBondContact O-CE1 3.46Å; R25-Y42 PolarHBondContact O-N 3.23Å; R25-E43 WeakPolarHBondContact CD-OE2 3.31Å; R25-E43 IonicContact CZ-OE2 3.08Å; R25-E43 IonicContact NE-OE2 3.74Å; R25-E43 IonicContact NH1-OE2 3.31Å; R25-E43 PolarHBondContact NH1-OE2 3.11Å
26Q98.4Very high89.1Confident18 Ų1877.3 Ų77.38%0.08439%0.39CS..EExtended strand (participates in β ladder)trans-141.8149.3-176.866.6176.845.300112.5D21 K24 T28 V39 L40 L41D21-Q26 HydrophobicContact CB-CG 4.05Å; D21-Q26 PolarHBondContact N-O 3.01Å; D21-Q26 PolarHBondContact O-N 3.34Å; D21-Q26 VanDerWaalsContact O-N 3.13Å; K24-Q26 VanDerWaalsContact C-N 3.32Å; K24-Q26 HydrophobicContact CB-CG 3.81Å; K24-Q26 PolarHBondContact O-N 2.85Å; Q26-T28 HydrophobicContact CG-CG2 4.34Å; Q26-V39 HydrophobicContact CB-CG2 4.05Å; Q26-L40 CarbonylContact C-O 3.53Å; Q26-L40 WeakPolarHBondContact CA-O 3.4Å; Q26-L41 HydrophobicContact CB-CD2 3.62Å
27F98.5Very high89.5Confident4 Ų480.8 Ų80.82%0.01840%0.4CS..EExtended strand (participates in β ladder)trans-107.6135.6165.8-61.2-94.8000108.3V18 E19 H20 V39 L40 Y42 L70 A73 A74 F77V18-F27 HydrophobicContact CG1-CB 3.92Å; V18-F27 HydrophobicContact CG1-CD1 4.05Å; V18-F27 HydrophobicContact CG1-CG 4.48Å; E19-F27 CarbonylContact O-C 3.57Å; E19-F27 VanDerWaalsContact O-CA 3.3Å; E19-F27 WeakPolarHBondContact O-CA 3.36Å; H20-F27 HydrophobicContact CB-CD1 3.77Å; H20-F27 HydrophobicContact CB-CE1 3.68Å; H20-F27 AromaticContact CD2-CD1 3.74Å; H20-F27 AromaticContact CD2-CE1 3.35Å; H20-F27 WeakPolarHBondContact CD2-CE1 3.41Å; H20-F27 AromaticContact CD2-CE2 3.88Å; H20-F27 AromaticContact CD2-CZ 3.41Å; H20-F27 VanDerWaalsContact CD2-CZ 3.41Å; H20-F27 WeakPolarHBondContact CD2-CZ 3.36Å; H20-F27 AromaticContact CE1-CE1 3.86Å; H20-F27 AromaticContact CE1-CZ 3.61Å; H20-F27 AromaticContact CG-CD1 3.81Å; H20-F27 AromaticContact CG-CE1 3.32Å; H20-F27 AromaticContact CG-CZ 3.78Å; H20-F27 AromaticContact ND1-CE1 3.7Å; H20-F27 AromaticContact ND1-CZ 3.94Å; H20-F27 AromaticContact NE2-CE1 3.72Å; H20-F27 AromaticContact NE2-CE2 3.81Å; H20-F27 AromaticContact NE2-CZ 3.31Å; H20-F27 VanDerWaalsContact NE2-CZ 3.31Å; H20-F27 WeakPolarHBondContact NE2-CZ 3.48Å; F27-V39 CarbonylContact O-C 3.57Å; F27-V39 VanDerWaalsContact O-CA 3.26Å; F27-V39 WeakPolarHBondContact O-CA 3.29Å; F27-L40 HydrophobicContact CB-CB 4.35Å; F27-L40 HydrophobicContact CD2-CD2 3.95Å; F27-L40 PolarHBondContact N-O 2.8Å; F27-L40 PolarHBondContact O-N 2.72Å; F27-Y42 HydrophobicContact CD2-CD1 4.12Å; F27-Y42 HydrophobicContact CD2-CE1 4.21Å; F27-Y42 AromaticContact CE2-CD1 3.67Å; F27-Y42 HydrophobicContact CE2-CD1 3.67Å; F27-Y42 AromaticContact CE2-CE1 3.6Å; F27-Y42 HydrophobicContact CE2-CE1 3.6Å; F27-Y42 HydrophobicContact CZ-CE1 4.31Å; F27-L70 HydrophobicContact CB-CD2 3.94Å; F27-A73 HydrophobicContact CD1-CB 4.06Å; F27-A73 HydrophobicContact CE1-CB 4.37Å; F27-A74 HydrophobicContact CD2-CB 3.92Å; F27-A74 HydrophobicContact CE2-CB 3.74Å; F27-A74 HydrophobicContact CZ-CB 4.22Å; F27-F77 HydrophobicContact CE1-CB 4.16Å; F27-F77 HydrophobicContact CE2-CD1 4.31Å; F27-F77 HydrophobicContact CZ-CB 3.69Å; F27-F77 AromaticContact CZ-CD1 3.77Å; F27-F77 HydrophobicContact CZ-CD1 3.77Å; F27-F77 AromaticContact CZ-CG 3.81Å; F27-F77 HydrophobicContact CZ-CG 3.81Å
28T97.3Very high89.7Confident11 Ų1176.4 Ų76.47%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-134.7144.9-178.651.20000112.6E19 Q26 A38 V39E19-T28 PolarHBondContact N-O 2.62Å; E19-T28 PolarHBondContact O-N 3.45Å; Q26-T28 HydrophobicContact CG-CG2 4.34Å; T28-A38 VanDerWaalsContact CA-O 3.23Å; T28-A38 WeakPolarHBondContact CA-O 3.42Å; T28-V39 HydrophobicContact CG2-CB 4.11Å; T28-V39 HydrophobicContact CG2-CG2 3.84Å
29I95.1Very high89.8Confident4 Ų475.1 Ų75.12%0.02137%0.365CS..EExtended strand (participates in β ladder)trans-117.7124.2167.7-65.4162.8000106.9I16 V18 L31 R37 A38 I66 H69 L70I16-I29 HydrophobicContact CG2-CD1 3.66Å; I16-I29 HydrophobicContact CG2-CG1 4.11Å; I16-I29 HydrophobicContact CG2-CG2 3.9Å; V18-I29 HydrophobicContact CB-CG1 4.38Å; V18-I29 HydrophobicContact CG2-CD1 3.91Å; V18-I29 HydrophobicContact CG2-CG1 3.77Å; I29-L31 HydrophobicContact CG2-CD2 4.09Å; I29-R37 VanDerWaalsContact O-CA 3.29Å; I29-R37 WeakPolarHBondContact O-CA 3.49Å; I29-R37 WeakPolarHBondContact O-CB 3.45Å; I29-A38 HydrophobicContact CB-CB 4.43Å; I29-A38 PolarHBondContact N-O 2.96Å; I29-A38 PolarHBondContact O-N 3.34Å; I29-I66 HydrophobicContact CD1-CG2 3.77Å; I29-H69 HydrophobicContact CD1-CB 3.89Å; I29-L70 HydrophobicContact CD1-CD2 3.85Å; I29-L70 HydrophobicContact CD1-CG 3.72Å; I29-L70 HydrophobicContact CG1-CD2 3.81Å; I29-L70 HydrophobicContact CG1-CG 4.26Å
30R91.4Very high89.9Confident177 Ų17771.3 Ų71.367%0.66835%0.347SS*.EExtended strand (participates in β ladder)trans-74.9133.6171.3-60.7-174.7-167.4-163.70.1109.1E19E19-R30 IonicContact OE1-CZ 2.87Å; E19-R30 IonicContact OE1-NE 2.82Å; E19-R30 PolarHBondContact OE1-NE 3.21Å; E19-R30 IonicContact OE1-NH2 3.7Å; E19-R30 PolarHBondContact OE1-NH2 3.32Å; E19-R30 IonicContact OE2-CZ 3.83Å; E19-R30 IonicContact OE2-NE 2.62Å; E19-R30 PolarHBondContact OE2-NE 3.24Å; E19-R30 IonicContact OE2-NH2 3.41Å; E19-R30 PolarHBondContact OE2-NH2 3.43Å; E19-R30 VanDerWaalsContact OE2-NH2 3.08Å
31L88.3Confident89.9Confident9 Ų971.1 Ų71.15%0.04735%0.348CS..PPolyproline II helixtrans-102.5132.8-178.2-56.2172.1000108.4I29 G33 D36 P58 Y61 I66I29-L31 HydrophobicContact CG2-CD2 4.09Å; L31-G33 PolarHBondContact O-N 3.33Å; L31-D36 HydrophobicContact CD1-CB 4.32Å; L31-D36 PolarHBondContact N-O 2.8Å; L31-P58 HydrophobicContact CD1-CG 3.94Å; L31-Y61 HydrophobicContact CB-CD1 4.21Å; L31-Y61 HydrophobicContact CB-CE1 3.84Å; L31-Y61 HydrophobicContact CB-CE2 4.19Å; L31-Y61 HydrophobicContact CD1-CD1 4.17Å; L31-Y61 HydrophobicContact CD1-CD2 3.61Å; L31-Y61 HydrophobicContact CD1-CE1 4.49Å; L31-Y61 HydrophobicContact CD1-CE2 3.94Å; L31-Y61 HydrophobicContact CD1-CG 3.72Å; L31-Y61 HydrophobicContact CD2-CD1 4.27Å; L31-Y61 HydrophobicContact CD2-CG 4.46Å; L31-Y61 HydrophobicContact CG-CD1 4.44Å; L31-Y61 HydrophobicContact CG-CG 4.46Å; L31-I66 HydrophobicContact CD2-CD1 3.72Å; L31-I66 HydrophobicContact CD2-CG2 4.42Å
32N72.6Confident89.9Confident73 Ų7368.8 Ų68.839%0.3934%0.335SS..THydrogen-bonded Turntrans-54.7122.5-169-80.7-7.2000112.5I12 T14I12-N32 HydrophobicContact CG2-CB 4.47Å; T14-N32 PolarHBondContact OG1-ND2 3.02Å
33G62.3Low90Very high92 Ų9267.3 Ų67.395%0.94833%0.33SS*.THydrogen-bonded Turntrans89.8-2165.700000116.9L31L31-G33 PolarHBondContact O-N 3.33Å
34S59.6Low90Very high48 Ų4862.3 Ų62.334%0.33631%0.307SS..SBendtrans-132.6167178.4610000113.1D36 Y61S34-D36 VanDerWaalsContact CB-OD2 3.29Å; S34-D36 WeakPolarHBondContact CB-OD2 3.44Å; S34-D36 PolarHBondContact O-N 3.3Å; S34-D36 VanDerWaalsContact O-N 3.17Å; S34-D36 VanDerWaalsContact OG-CB 3.26Å; S34-D36 WeakPolarHBondContact OG-CB 3.49Å; S34-D36 PolarHBondContact OG-N 3.34Å; S34-D36 PolarHBondContact OG-OD2 3.16Å; S34-Y61 PolarHBondContact OG-OH 3.3Å
35H70.3Confident90Very high200 Ų20059.9 Ų59.993%0.92630%0.303SS*.SBendtrans-68.41.6166.9-66.4104.3000112.3
36D82.3Confident89.8Confident73 Ų7357 Ų5739%0.3930%0.303SS..  trans-76.1140-177.4-54-40.6000110.6L31 S34 P58 Y61L31-D36 HydrophobicContact CD1-CB 4.32Å; L31-D36 PolarHBondContact N-O 2.8Å; S34-D36 VanDerWaalsContact CB-OD2 3.29Å; S34-D36 WeakPolarHBondContact CB-OD2 3.44Å; S34-D36 PolarHBondContact O-N 3.3Å; S34-D36 VanDerWaalsContact O-N 3.17Å; S34-D36 VanDerWaalsContact OG-CB 3.26Å; S34-D36 WeakPolarHBondContact OG-CB 3.49Å; S34-D36 PolarHBondContact OG-N 3.34Å; S34-D36 PolarHBondContact OG-OD2 3.16Å; D36-P58 HydrophobicContact CB-CG 4.2Å; D36-Y61 HydrophobicContact CB-CE2 4.37Å
37R92.3Very high89.6Confident130 Ų13066.4 Ų66.449%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-137.1145.6175.167.1-173.5-173.4-158.3-0.8109.5I29I29-R37 VanDerWaalsContact O-CA 3.29Å; I29-R37 WeakPolarHBondContact O-CA 3.49Å; I29-R37 WeakPolarHBondContact O-CB 3.45Å
38A95.9Very high89.5Confident0 Ų071.5 Ų71.50%037%0.365CS..EExtended strand (participates in β ladder)trans-84.1145.2160.100000108.7T28 I29 E56 V57 I66 L70T28-A38 VanDerWaalsContact CA-O 3.23Å; T28-A38 WeakPolarHBondContact CA-O 3.42Å; I29-A38 HydrophobicContact CB-CB 4.43Å; I29-A38 PolarHBondContact N-O 2.96Å; I29-A38 PolarHBondContact O-N 3.34Å; A38-E56 CarbonylContact C-O 3.54Å; A38-E56 VanDerWaalsContact CA-O 3.23Å; A38-E56 WeakPolarHBondContact CA-O 3.37Å; A38-E56 WeakPolarHBondContact CB-O 3.47Å; A38-V57 HydrophobicContact CB-CB 4.46Å; A38-V57 HydrophobicContact CB-CG2 3.94Å; A38-I66 HydrophobicContact CB-CG2 3.45Å; A38-I66 VanDerWaalsContact CB-CG2 3.45Å; A38-L70 HydrophobicContact CB-CD1 3.77Å
39V97.9Very high89.6Confident17 Ų1772.2 Ų72.210%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-139144.7-176.164.10000111.8Q26 F27 T28 L41 T55 E56Q26-V39 HydrophobicContact CB-CG2 4.05Å; F27-V39 CarbonylContact O-C 3.57Å; F27-V39 VanDerWaalsContact O-CA 3.26Å; F27-V39 WeakPolarHBondContact O-CA 3.29Å; T28-V39 HydrophobicContact CG2-CB 4.11Å; T28-V39 HydrophobicContact CG2-CG2 3.84Å; V39-L41 HydrophobicContact CG2-CD2 3.54Å; V39-L41 HydrophobicContact CG2-CG 4.15Å; V39-T55 CarbonylContact O-C 3.56Å; V39-T55 WeakPolarHBondContact O-CA 3.35Å; V39-E56 HydrophobicContact CG1-CB 4Å; V39-E56 PolarHBondContact N-O 3.13Å; V39-E56 PolarHBondContact O-N 3.21Å
40L98.7Very high89.7Confident0 Ų072 Ų720%037%0.369CS..EExtended strand (participates in β ladder)trans-122.8128.5163.2-177.6162.3000108.2Q26 F27 L52 H54 L70 A74 I92Q26-L40 CarbonylContact C-O 3.53Å; Q26-L40 WeakPolarHBondContact CA-O 3.4Å; F27-L40 HydrophobicContact CB-CB 4.35Å; F27-L40 HydrophobicContact CD2-CD2 3.95Å; F27-L40 PolarHBondContact N-O 2.8Å; F27-L40 PolarHBondContact O-N 2.72Å; L40-L52 HydrophobicContact CD2-CD2 4.44Å; L40-H54 CarbonylContact C-O 3.55Å; L40-H54 VanDerWaalsContact CA-O 3.25Å; L40-H54 WeakPolarHBondContact CA-O 3.3Å; L40-L70 HydrophobicContact CB-CB 4.02Å; L40-L70 HydrophobicContact CB-CD1 4.42Å; L40-L70 HydrophobicContact CD1-CB 4.18Å; L40-A74 HydrophobicContact CD1-CB 3.69Å; L40-A74 HydrophobicContact CD2-CB 3.77Å; L40-A74 HydrophobicContact CG-CB 4.4Å; L40-I92 HydrophobicContact CD1-CD1 3.58Å; L40-I92 HydrophobicContact CD1-CG1 4.16Å; L40-I92 HydrophobicContact CD2-CD1 4.27Å; L40-I92 HydrophobicContact CG-CD1 3.98Å
41L98.7Very high90.1Very high61 Ų6164.1 Ų64.132%0.31934%0.34SS..EExtended strand (participates in β ladder)trans-107.1141.7-178.8-56.4178.4000110.3Q26 V39 Q53 H54Q26-L41 HydrophobicContact CB-CD2 3.62Å; V39-L41 HydrophobicContact CG2-CD2 3.54Å; V39-L41 HydrophobicContact CG2-CG 4.15Å; L41-Q53 PolarHBondContact O-N 3.08Å; L41-H54 HydrophobicContact CB-CB 4.36Å; L41-H54 HydrophobicContact CD1-CB 4.43Å; L41-H54 PolarHBondContact N-O 2.88Å; L41-H54 PolarHBondContact O-N 3.28Å
42Y98.7Very high90.5Very high1 Ų163.7 Ų63.70%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-137.5161.8172.271.9-87.3000111.5H20 R25 F27 Y44 V50 D51 L52 F77H20-Y42 AromaticContact NE2-CE1 3.55Å; H20-Y42 AromaticContact NE2-CZ 3.7Å; H20-Y42 PolarHBondContact NE2-OH 3.49Å; H20-Y42 VanDerWaalsContact NE2-OH 3.08Å; R25-Y42 VanDerWaalsContact C-CD1 3.41Å; R25-Y42 VanDerWaalsContact CA-CE1 3.42Å; R25-Y42 HydrophobicContact CB-CD1 4.17Å; R25-Y42 HydrophobicContact CB-CD2 4.11Å; R25-Y42 HydrophobicContact CB-CE1 3.95Å; R25-Y42 HydrophobicContact CB-CE2 3.88Å; R25-Y42 HydrophobicContact CB-CG 4.25Å; R25-Y42 WeakPolarHBondContact CB-O 3.36Å; R25-Y42 HydrophobicContact CG-CE2 4.24Å; R25-Y42 WeakPolarHBondContact O-CD1 3.22Å; R25-Y42 WeakPolarHBondContact O-CE1 3.46Å; R25-Y42 PolarHBondContact O-N 3.23Å; F27-Y42 HydrophobicContact CD2-CD1 4.12Å; F27-Y42 HydrophobicContact CD2-CE1 4.21Å; F27-Y42 AromaticContact CE2-CD1 3.67Å; F27-Y42 HydrophobicContact CE2-CD1 3.67Å; F27-Y42 AromaticContact CE2-CE1 3.6Å; F27-Y42 HydrophobicContact CE2-CE1 3.6Å; F27-Y42 HydrophobicContact CZ-CE1 4.31Å; Y42-Y44 HydrophobicContact CE2-CD2 4.39Å; Y42-Y44 AromaticContact CE2-CE2 3.88Å; Y42-Y44 HydrophobicContact CE2-CE2 3.88Å; Y42-V50 HydrophobicContact CD2-CB 4.15Å; Y42-V50 HydrophobicContact CD2-CG1 3.91Å; Y42-V50 HydrophobicContact CE2-CG1 4.2Å; Y42-D51 CarbonylContact C-O 3.54Å; Y42-D51 WeakPolarHBondContact CA-O 3.31Å; Y42-D51 WeakPolarHBondContact CB-O 3.39Å; Y42-L52 HydrophobicContact CG-CD2 4.28Å; Y42-F77 HydrophobicContact CE1-CE1 4.44Å; Y42-F77 AromaticContact CE2-CE1 3.93Å; Y42-F77 HydrophobicContact CE2-CE1 3.93Å; Y42-F77 HydrophobicContact CE2-CZ 4.27Å; Y42-F77 AromaticContact CZ-CE1 3.88Å
43E98.3Very high91.7Very high71 Ų7163.8 Ų63.833%0.33234%0.336SS..EExtended strand (participates in β ladder)trans-133.4149.1176.6-77.7-63.6160.600111.1R25 V50 D51 Q53R25-E43 WeakPolarHBondContact CD-OE2 3.31Å; R25-E43 IonicContact CZ-OE2 3.08Å; R25-E43 IonicContact NE-OE2 3.74Å; R25-E43 IonicContact NH1-OE2 3.31Å; R25-E43 PolarHBondContact NH1-OE2 3.11Å; E43-V50 CarbonylContact O-C 3.55Å; E43-V50 WeakPolarHBondContact O-CA 3.41Å; E43-V50 WeakPolarHBondContact O-CB 3.35Å; E43-D51 PolarHBondContact N-O 2.98Å; E43-D51 PolarHBondContact O-N 2.83Å; E43-Q53 VanDerWaalsContact CG-OE1 3.32Å
44Y97.9Very high93.4Very high93 Ų9363.2 Ų63.237%0.36531%0.308SS..EExtended strand (participates in β ladder)trans-82.4117.9168.9-74.7-84.6000109Y42 V50Y42-Y44 HydrophobicContact CE2-CD2 4.39Å; Y42-Y44 AromaticContact CE2-CE2 3.88Å; Y42-Y44 HydrophobicContact CE2-CE2 3.88Å; Y44-V50 HydrophobicContact CD1-CG1 3.6Å; Y44-V50 HydrophobicContact CE1-CG1 3.59Å; Y44-V50 HydrophobicContact CG-CG1 4.16Å
45V97Very high95.2Very high81 Ų8161.9 Ų61.949%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-108.75178.1-620000112.2T49 D51V45-T49 HydrophobicContact CG2-CG2 3.72Å; V45-T49 PolarHBondContact N-O 3.08Å; V45-D51 HydrophobicContact CG1-CB 3.93Å; V45-D51 HydrophobicContact CG2-CB 4.32Å
46G94.7Very high96.5Very high35 Ų3557.1 Ų57.136%0.36128%0.276SS..EExtended strand (participates in β ladder)trans-168.7-177173.300000110.8K48 T49G46-K48 VanDerWaalsContact C-N 3.3Å; G46-K48 PolarHBondContact O-N 2.81Å; G46-T49 PolarHBondContact N-O 3.5Å
47K94.4Very high97.1Very high214 Ų21454.3 Ų54.393%0.9326%0.262SS*.THydrogen-bonded Turntrans-63.4-34.5-178.6-70-175.2178.6-179.90113.6
48K96.4Very high97.1Very high111 Ų11149.6 Ų49.648%0.48325%0.248SC..THydrogen-bonded Turntrans-134.829.8178.8-76.7-165.4158.5-152.10111.1G46 D82 L83 K84G46-K48 VanDerWaalsContact C-N 3.3Å; G46-K48 PolarHBondContact O-N 2.81Å; K48-D82 IonicContact NZ-OD2 2.6Å; K48-D82 PolarHBondContact NZ-OD2 3.49Å; K48-L83 HydrophobicContact CB-CD2 4.39Å; K48-K84 PolarHBondContact O-N 3.38Å
49T97.9Very high96.9Very high27 Ų2755.1 Ų55.117%0.16628%0.277CS..EExtended strand (participates in β ladder)trans-130.3127.5-177.4-48.90000109.4V45 G46 K84 H86V45-T49 HydrophobicContact CG2-CG2 3.72Å; V45-T49 PolarHBondContact N-O 3.08Å; G46-T49 PolarHBondContact N-O 3.5Å; T49-K84 CarbonylContact C-O 3.57Å; T49-K84 VanDerWaalsContact CA-O 3.31Å; T49-K84 WeakPolarHBondContact CA-O 3.46Å; T49-K84 HydrophobicContact CG2-CB 4.06Å; T49-H86 VanDerWaalsContact CG2-CD2 3.48Å; T49-H86 WeakPolarHBondContact CG2-CD2 3.46Å
50V98.4Very high96.5Very high0 Ų057.8 Ų57.80%030%0.301CS..EExtended strand (participates in β ladder)trans-113.3150.9172.1-63.20000110.5Y42 E43 Y44 L52 V78 L83 K84 A85 H86Y42-V50 HydrophobicContact CD2-CB 4.15Å; Y42-V50 HydrophobicContact CD2-CG1 3.91Å; Y42-V50 HydrophobicContact CE2-CG1 4.2Å; E43-V50 CarbonylContact O-C 3.55Å; E43-V50 WeakPolarHBondContact O-CA 3.41Å; E43-V50 WeakPolarHBondContact O-CB 3.35Å; Y44-V50 HydrophobicContact CD1-CG1 3.6Å; Y44-V50 HydrophobicContact CE1-CG1 3.59Å; Y44-V50 HydrophobicContact CG-CG1 4.16Å; V50-L52 HydrophobicContact CG2-CD2 4.16Å; V50-V78 HydrophobicContact CG2-CG2 3.82Å; V50-L83 HydrophobicContact CG1-CD1 4.11Å; V50-K84 PolarHBondContact N-O 3.07Å; V50-A85 HydrophobicContact CG2-CB 4.43Å; V50-A85 CarbonylContact O-C 3.43Å; V50-A85 WeakPolarHBondContact O-CA 3.49Å; V50-H86 PolarHBondContact O-N 2.83Å
51D98.5Very high96.1Very high11 Ų1158.9 Ų58.96%0.05931%0.306CS..EExtended strand (participates in β ladder)trans-108.4123.7164.6-178.718.9000108.8Y42 E43 V45 Q53 H86 T88Y42-D51 CarbonylContact C-O 3.54Å; Y42-D51 WeakPolarHBondContact CA-O 3.31Å; Y42-D51 WeakPolarHBondContact CB-O 3.39Å; E43-D51 PolarHBondContact N-O 2.98Å; E43-D51 PolarHBondContact O-N 2.83Å; V45-D51 HydrophobicContact CG1-CB 3.93Å; V45-D51 HydrophobicContact CG2-CB 4.32Å; D51-Q53 HydrophobicContact CB-CG 4.07Å; D51-Q53 PolarHBondContact O-N 2.81Å; D51-Q53 WeakPolarHBondContact OD2-CG 3.49Å; D51-Q53 PolarHBondContact OD2-NE2 2.94Å; D51-H86 WeakPolarHBondContact CA-O 3.45Å; D51-H86 HydrophobicContact CB-CB 4.22Å; D51-H86 VanDerWaalsContact OD1-O 3.13Å; D51-T88 VanDerWaalsContact CG-OG1 3.24Å; D51-T88 WeakPolarHBondContact OD1-CB 3.12Å; D51-T88 PolarHBondContact OD1-N 3.13Å; D51-T88 PolarHBondContact OD1-OG1 3.06Å; D51-T88 WeakPolarHBondContact OD2-CB 3.34Å; D51-T88 PolarHBondContact OD2-OG1 3.35Å
52L98.4Very high95.6Very high0 Ų063.1 Ų63.10%032%0.317CS..EExtended strand (participates in β ladder)trans-89.3100.4174.9-52.6-175000108.7L40 Y42 V50 A74 M75 H86 L87 T88 C89 I92L40-L52 HydrophobicContact CD2-CD2 4.44Å; Y42-L52 HydrophobicContact CG-CD2 4.28Å; V50-L52 HydrophobicContact CG2-CD2 4.16Å; L52-A74 HydrophobicContact CD1-CB 4.18Å; L52-A74 HydrophobicContact CD2-CB 4.47Å; L52-M75 HydrophobicContact CD1-SD 3.58Å; L52-M75 VanDerWaalsContact CD1-SD 3.58Å; L52-H86 PolarHBondContact N-O 3.43Å; L52-L87 HydrophobicContact CB-CD2 4.14Å; L52-L87 HydrophobicContact CD1-CD2 3.79Å; L52-L87 HydrophobicContact CG-CD2 4.07Å; L52-T88 PolarHBondContact O-N 3.3Å; L52-C89 VanDerWaalsContact O-CB 3.23Å; L52-C89 WeakPolarHBondContact O-CB 3.48Å; L52-C89 PolarHBondContact O-N 3.44Å; L52-I92 HydrophobicContact CB-CD1 3.37Å; L52-I92 HydrophobicContact CD1-CD1 4.07Å; L52-I92 HydrophobicContact CD1-CG2 4.06Å; L52-I92 HydrophobicContact CG-CD1 4.34Å
53Q97.5Very high95.1Very high74 Ų7467.4 Ų67.435%0.34636%0.362SS..EExtended strand (participates in β ladder)trans-95.9-40.7-156.4-74.3177.4-11.500114.8L41 E43 D51 C89L41-Q53 PolarHBondContact O-N 3.08Å; E43-Q53 VanDerWaalsContact CG-OE1 3.32Å; D51-Q53 HydrophobicContact CB-CG 4.07Å; D51-Q53 PolarHBondContact O-N 2.81Å; D51-Q53 WeakPolarHBondContact OD2-CG 3.49Å; D51-Q53 PolarHBondContact OD2-NE2 2.94Å; Q53-C89 WeakPolarHBondContact O-CA 3.4Å; Q53-C89 WeakPolarHBondContact O-CB 3.38Å
54H97.8Very high94.7Very high80 Ų8067.7 Ų67.737%0.3736%0.36SS..EExtended strand (participates in β ladder)trans-146.9143.8-170.2-174.655.9000110.9L40 L41 E56L40-H54 CarbonylContact C-O 3.55Å; L40-H54 VanDerWaalsContact CA-O 3.25Å; L40-H54 WeakPolarHBondContact CA-O 3.3Å; L41-H54 HydrophobicContact CB-CB 4.36Å; L41-H54 HydrophobicContact CD1-CB 4.43Å; L41-H54 PolarHBondContact N-O 2.88Å; L41-H54 PolarHBondContact O-N 3.28Å; H54-E56 IonicContact CD2-OE2 3.91Å; H54-E56 IonicContact CE1-OE2 3.94Å; H54-E56 IonicContact NE2-OE2 2.97Å; H54-E56 PolarHBondContact NE2-OE2 3.02Å
55T97.9Very high94.4Very high20 Ų2065 Ų6512%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-135.6129.4171.4-58.70000108.2V39 A67 L70 Y91V39-T55 CarbonylContact O-C 3.56Å; V39-T55 WeakPolarHBondContact O-CA 3.35Å; T55-A67 HydrophobicContact CG2-CB 3.97Å; T55-L70 HydrophobicContact CG2-CD1 4.25Å; T55-Y91 HydrophobicContact CG2-CD1 4.13Å
56E96.7Very high94.2Very high101 Ų10161.3 Ų61.347%0.47234%0.338SS..EExtended strand (participates in β ladder)trans-133130.8-177.7-166.4170.2154.500111.1A38 V39 H54A38-E56 CarbonylContact C-O 3.54Å; A38-E56 VanDerWaalsContact CA-O 3.23Å; A38-E56 WeakPolarHBondContact CA-O 3.37Å; A38-E56 WeakPolarHBondContact CB-O 3.47Å; V39-E56 HydrophobicContact CG1-CB 4Å; V39-E56 PolarHBondContact N-O 3.13Å; V39-E56 PolarHBondContact O-N 3.21Å; H54-E56 IonicContact CD2-OE2 3.91Å; H54-E56 IonicContact CE1-OE2 3.94Å; H54-E56 IonicContact NE2-OE2 2.97Å; H54-E56 PolarHBondContact NE2-OE2 3.02Å
57V95.1Very high94.3Very high14 Ų1460.2 Ų60.29%0.08533%0.326CS..  trans-127.6125.9170.3-178.80000106.7A38 R62 I66 A67A38-V57 HydrophobicContact CB-CB 4.46Å; A38-V57 HydrophobicContact CB-CG2 3.94Å; V57-R62 HydrophobicContact CB-CG 4.32Å; V57-R62 HydrophobicContact CG1-CG 4.26Å; V57-R62 PolarHBondContact O-NE 2.93Å; V57-R62 VanDerWaalsContact O-NE 3.09Å; V57-I66 HydrophobicContact CG1-CB 4.26Å; V57-I66 HydrophobicContact CG1-CD1 4.31Å; V57-I66 HydrophobicContact CG1-CG2 4.28Å; V57-I66 HydrophobicContact CG2-CB 4.29Å; V57-I66 HydrophobicContact CG2-CG2 4.03Å; V57-A67 HydrophobicContact CG2-CB 3.72Å
58P93Very high94.4Very high31 Ų3154.5 Ų54.520%0.20130%0.301CS..  trans-58.3144.3177.3-18.928.3000111.4L31 D36 A60 Y61 R62L31-P58 HydrophobicContact CD1-CG 3.94Å; D36-P58 HydrophobicContact CB-CG 4.2Å; P58-A60 VanDerWaalsContact C-N 3.29Å; P58-A60 PolarHBondContact O-N 2.83Å; P58-A60 VanDerWaalsContact O-N 3.16Å; P58-Y61 HydrophobicContact CB-CD2 4.12Å; P58-Y61 HydrophobicContact CG-CD2 4.48Å; P58-Y61 PolarHBondContact O-N 2.87Å; P58-R62 PolarHBondContact O-N 2.86Å
59D91.5Very high94.4Very high115 Ų11553 Ų5362%0.61530%0.295SS*.G310 helixtrans-54.6-41.2-167.8-72.320.8000113.5Y61 R62D59-Y61 PolarHBondContact O-N 2.95Å; D59-R62 PolarHBondContact O-N 2.94Å; D59-R62 VanDerWaalsContact O-N 3.14Å; D59-R62 IonicContact OD1-CZ 2.79Å; D59-R62 IonicContact OD1-NE 3.29Å; D59-R62 PolarHBondContact OD1-NE 2.94Å; D59-R62 IonicContact OD1-NH1 3.02Å; D59-R62 PolarHBondContact OD1-NH1 3.25Å; D59-R62 IonicContact OD1-NH2 2.86Å; D59-R62 PolarHBondContact OD1-NH2 3.02Å; D59-R62 IonicContact OD2-NH1 3.61Å
60A89.8Confident94.5Very high73 Ų7351.8 Ų51.860%0.60329%0.287SS*.G310 helixtrans-60.3-18.9178.600000114.3P58 R64P58-A60 VanDerWaalsContact C-N 3.29Å; P58-A60 PolarHBondContact O-N 2.83Å; P58-A60 VanDerWaalsContact O-N 3.16Å; A60-R64 PolarHBondContact O-NH2 3.17Å
61Y89.4Confident94.5Very high24 Ų2451.8 Ų51.89%0.09429%0.287CS..G310 helixtrans-112.1-0.7-176.7-60.7-87.5000113.1L31 S34 D36 P58 D59 R64 I66L31-Y61 HydrophobicContact CB-CD1 4.21Å; L31-Y61 HydrophobicContact CB-CE1 3.84Å; L31-Y61 HydrophobicContact CB-CE2 4.19Å; L31-Y61 HydrophobicContact CD1-CD1 4.17Å; L31-Y61 HydrophobicContact CD1-CD2 3.61Å; L31-Y61 HydrophobicContact CD1-CE1 4.49Å; L31-Y61 HydrophobicContact CD1-CE2 3.94Å; L31-Y61 HydrophobicContact CD1-CG 3.72Å; L31-Y61 HydrophobicContact CD2-CD1 4.27Å; L31-Y61 HydrophobicContact CD2-CG 4.46Å; L31-Y61 HydrophobicContact CG-CD1 4.44Å; L31-Y61 HydrophobicContact CG-CG 4.46Å; S34-Y61 PolarHBondContact OG-OH 3.3Å; D36-Y61 HydrophobicContact CB-CE2 4.37Å; P58-Y61 HydrophobicContact CB-CD2 4.12Å; P58-Y61 HydrophobicContact CG-CD2 4.48Å; P58-Y61 PolarHBondContact O-N 2.87Å; D59-Y61 PolarHBondContact O-N 2.95Å; Y61-R64 WeakPolarHBondContact O-CG 3.34Å; Y61-I66 WeakPolarHBondContact O-CD1 3.32Å
62R89Confident94.4Very high149 Ų14956.1 Ų56.156%0.56231%0.306SS*.THydrogen-bonded Turntrans-65.2159.1175.1-69-178-178.2163.91.8111.4V57 P58 D59 R64V57-R62 HydrophobicContact CB-CG 4.32Å; V57-R62 HydrophobicContact CG1-CG 4.26Å; V57-R62 PolarHBondContact O-NE 2.93Å; V57-R62 VanDerWaalsContact O-NE 3.09Å; P58-R62 PolarHBondContact O-N 2.86Å; D59-R62 PolarHBondContact O-N 2.94Å; D59-R62 VanDerWaalsContact O-N 3.14Å; D59-R62 IonicContact OD1-CZ 2.79Å; D59-R62 IonicContact OD1-NE 3.29Å; D59-R62 PolarHBondContact OD1-NE 2.94Å; D59-R62 IonicContact OD1-NH1 3.02Å; D59-R62 PolarHBondContact OD1-NH1 3.25Å; D59-R62 IonicContact OD1-NH2 2.86Å; D59-R62 PolarHBondContact OD1-NH2 3.02Å; D59-R62 IonicContact OD2-NH1 3.61Å; R62-R64 PolarHBondContact O-N 3.2Å
63G88.2Confident94.4Very high91 Ų9157.2 Ų57.294%0.93832%0.315SS*.THydrogen-bonded Turntrans77.6-1.5-178.100000115.1
64R89.2Confident94.5Very high77 Ų7753.7 Ų53.729%0.29130%0.298SS..SBendtrans-101.712.9-176.8-49.7-172.4-165.6-1635.5114.6P10 I12 A60 Y61 R62 I66P10-R64 PolarHBondContact O-NH1 2.82Å; I12-R64 HydrophobicContact CD1-CB 4.28Å; A60-R64 PolarHBondContact O-NH2 3.17Å; Y61-R64 WeakPolarHBondContact O-CG 3.34Å; R62-R64 PolarHBondContact O-N 3.2Å; R64-I66 VanDerWaalsContact C-N 3.28Å; R64-I66 HydrophobicContact CB-CD1 4.29Å; R64-I66 HydrophobicContact CB-CG1 4.41Å; R64-I66 PolarHBondContact O-N 2.87Å
65G91.2Very high94.5Very high36 Ų3649.9 Ų49.937%0.37128%0.281SS..SBendtrans72.89179.400000116A67 K68 H69G65-A67 PolarHBondContact O-N 3.08Å; G65-K68 VanDerWaalsContact O-CB 3.27Å; G65-K68 WeakPolarHBondContact O-CB 3.48Å; G65-K68 PolarHBondContact O-N 3.34Å; G65-H69 PolarHBondContact O-ND1 2.86Å
66I94.3Very high94.6Very high4 Ų450.2 Ų50.22%0.02128%0.282CS..Hα-helixtrans-60.9-46.2-176.5-68.3163.8000112.4I12 I16 I29 L31 A38 V57 Y61 R64 K68 H69 L70I12-I66 HydrophobicContact CD1-CD1 4.44Å; I16-I66 HydrophobicContact CD1-CG1 4.44Å; I29-I66 HydrophobicContact CD1-CG2 3.77Å; L31-I66 HydrophobicContact CD2-CD1 3.72Å; L31-I66 HydrophobicContact CD2-CG2 4.42Å; A38-I66 HydrophobicContact CB-CG2 3.45Å; A38-I66 VanDerWaalsContact CB-CG2 3.45Å; V57-I66 HydrophobicContact CG1-CB 4.26Å; V57-I66 HydrophobicContact CG1-CD1 4.31Å; V57-I66 HydrophobicContact CG1-CG2 4.28Å; V57-I66 HydrophobicContact CG2-CB 4.29Å; V57-I66 HydrophobicContact CG2-CG2 4.03Å; Y61-I66 WeakPolarHBondContact O-CD1 3.32Å; R64-I66 VanDerWaalsContact C-N 3.28Å; R64-I66 HydrophobicContact CB-CD1 4.29Å; R64-I66 HydrophobicContact CB-CG1 4.41Å; R64-I66 PolarHBondContact O-N 2.87Å; I66-K68 PolarHBondContact O-N 3.41Å; I66-H69 WeakPolarHBondContact O-CB 3.4Å; I66-H69 PolarHBondContact O-N 3.18Å; I66-L70 PolarHBondContact O-N 3.41Å
67A96.1Very high94.7Very high13 Ų1345.7 Ų45.711%0.10726%0.261CS..Hα-helixtrans-60.6-29.6179.200000112.6T55 V57 G65 H69 L70 A71 Y91T55-A67 HydrophobicContact CG2-CB 3.97Å; V57-A67 HydrophobicContact CG2-CB 3.72Å; G65-A67 PolarHBondContact O-N 3.08Å; A67-H69 VanDerWaalsContact C-N 3.31Å; A67-H69 PolarHBondContact O-N 2.99Å; A67-L70 PolarHBondContact O-N 3Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.31Å; A67-Y91 HydrophobicContact CB-CD1 4.05Å; A67-Y91 HydrophobicContact CB-CE1 3.37Å; A67-Y91 HydrophobicContact CB-CE2 3.92Å; A67-Y91 WeakPolarHBondContact CB-OH 3.46Å; A67-Y91 WeakPolarHBondContact O-CE1 3.37Å
68K96.6Very high94.8Very high94 Ų9445 Ų4541%0.40926%0.257SS..Hα-helixtrans-62.5-39.8176.1-167.4-177.9-179.51700111.5G65 I66 A71 K72 Y91 Y95 N99G65-K68 VanDerWaalsContact O-CB 3.27Å; G65-K68 WeakPolarHBondContact O-CB 3.48Å; G65-K68 PolarHBondContact O-N 3.34Å; I66-K68 PolarHBondContact O-N 3.41Å; K68-A71 PolarHBondContact O-N 3.46Å; K68-K72 WeakPolarHBondContact O-CB 3.38Å; K68-K72 PolarHBondContact O-N 2.82Å; K68-Y91 PolarHBondContact N-OH 2.93Å; K68-Y91 VanDerWaalsContact N-OH 3.13Å; K68-Y95 HydrophobicContact CD-CE2 4.33Å; K68-Y95 HydrophobicContact CG-CD2 3.82Å; K68-Y95 HydrophobicContact CG-CE2 3.48Å; K68-Y95 VanDerWaalsContact CG-CE2 3.48Å; K68-N99 WeakPolarHBondContact CE-OD1 3.44Å; K68-N99 PolarHBondContact NZ-OD1 3.32Å
69H96.9Very high95.1Very high80 Ų8045.2 Ų45.237%0.3726%0.257SS..Hα-helixtrans-68.4-40.2179.8-64.776.2000111.2I16 V18 I29 G65 I66 A67 A73I16-H69 HydrophobicContact CG2-CB 4.13Å; V18-H69 HydrophobicContact CG2-CB 4.15Å; I29-H69 HydrophobicContact CD1-CB 3.89Å; G65-H69 PolarHBondContact O-ND1 2.86Å; I66-H69 WeakPolarHBondContact O-CB 3.4Å; I66-H69 PolarHBondContact O-N 3.18Å; A67-H69 VanDerWaalsContact C-N 3.31Å; A67-H69 PolarHBondContact O-N 2.99Å; H69-A73 WeakPolarHBondContact O-CB 3.49Å; H69-A73 PolarHBondContact O-N 2.86Å
70L98.3Very high95.4Very high0 Ų047 Ų470%026%0.262CS..Hα-helixtrans-61.8-49.2173-68.2172000111.7V18 F27 I29 A38 L40 T55 I66 A67 K72 A73 A74V18-L70 HydrophobicContact CG1-CD2 4.1Å; F27-L70 HydrophobicContact CB-CD2 3.94Å; I29-L70 HydrophobicContact CD1-CD2 3.85Å; I29-L70 HydrophobicContact CD1-CG 3.72Å; I29-L70 HydrophobicContact CG1-CD2 3.81Å; I29-L70 HydrophobicContact CG1-CG 4.26Å; A38-L70 HydrophobicContact CB-CD1 3.77Å; L40-L70 HydrophobicContact CB-CB 4.02Å; L40-L70 HydrophobicContact CB-CD1 4.42Å; L40-L70 HydrophobicContact CD1-CB 4.18Å; T55-L70 HydrophobicContact CG2-CD1 4.25Å; I66-L70 PolarHBondContact O-N 3.41Å; A67-L70 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 2.6Å; L70-A73 PolarHBondContact O-N 3.36Å; L70-A74 WeakPolarHBondContact O-CB 3.21Å; L70-A74 PolarHBondContact O-N 3.33Å
71A98.4Very high95.8Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-62-41.7-179.600000111.9A67 K68 A74 M75 Y91 Y95A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.31Å; K68-A71 PolarHBondContact O-N 3.46Å; A71-A74 PolarHBondContact O-N 3.05Å; A71-M75 WeakPolarHBondContact O-CG 3.23Å; A71-M75 PolarHBondContact O-N 3.19Å; A71-Y91 HydrophobicContact CB-CE1 4.2Å; A71-Y95 HydrophobicContact CB-CD1 3.69Å; A71-Y95 HydrophobicContact CB-CD2 3.98Å; A71-Y95 HydrophobicContact CB-CE1 4.12Å; A71-Y95 HydrophobicContact CB-CE2 4.38Å; A71-Y95 HydrophobicContact CB-CG 3.61Å
72K98.2Very high96.2Very high102 Ų10251.3 Ų51.344%0.44327%0.273SS..Hα-helixtrans-58.1-53.5174.1-172.5-176-178.6-63.10111.2K68 L70 A74 M75 D76 Y95K68-K72 WeakPolarHBondContact O-CB 3.38Å; K68-K72 PolarHBondContact O-N 2.82Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 2.6Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.43Å; K72-M75 PolarHBondContact O-N 2.91Å; K72-D76 IonicContact NZ-OD1 2.64Å; K72-D76 IonicContact NZ-OD2 3.93Å; K72-D76 PolarHBondContact NZ-OD2 3.45Å; K72-D76 WeakPolarHBondContact O-CB 3.26Å; K72-D76 PolarHBondContact O-N 2.96Å; K72-Y95 WeakPolarHBondContact CA-OH 3.4Å; K72-Y95 WeakPolarHBondContact CB-OH 3.33Å
73A98.4Very high96.6Very high23 Ų2344.8 Ų44.819%0.1925%0.25CC..Hα-helixtrans-60.8-38.8-178.600000112.6V18 F27 H69 L70 F77V18-A73 HydrophobicContact CB-CB 4.09Å; V18-A73 HydrophobicContact CG1-CB 3.7Å; V18-A73 HydrophobicContact CG2-CB 4.19Å; F27-A73 HydrophobicContact CD1-CB 4.06Å; F27-A73 HydrophobicContact CE1-CB 4.37Å; H69-A73 WeakPolarHBondContact O-CB 3.49Å; H69-A73 PolarHBondContact O-N 2.86Å; L70-A73 PolarHBondContact O-N 3.36Å; A73-F77 WeakPolarHBondContact O-CB 3.22Å; A73-F77 PolarHBondContact O-N 3.13Å
74A98.6Very high97.1Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-65.3-42.2176.700000112.5F27 L40 L52 L70 A71 K72 F77 V78F27-A74 HydrophobicContact CD2-CB 3.92Å; F27-A74 HydrophobicContact CE2-CB 3.74Å; F27-A74 HydrophobicContact CZ-CB 4.22Å; L40-A74 HydrophobicContact CD1-CB 3.69Å; L40-A74 HydrophobicContact CD2-CB 3.77Å; L40-A74 HydrophobicContact CG-CB 4.4Å; L52-A74 HydrophobicContact CD1-CB 4.18Å; L52-A74 HydrophobicContact CD2-CB 4.47Å; L70-A74 WeakPolarHBondContact O-CB 3.21Å; L70-A74 PolarHBondContact O-N 3.33Å; A71-A74 PolarHBondContact O-N 3.05Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.43Å; A74-F77 PolarHBondContact O-N 2.95Å; A74-V78 WeakPolarHBondContact O-CG2 3.06Å; A74-V78 PolarHBondContact O-N 3.37Å; A74-V78 VanDerWaalsContact O-N 3.11Å
75M98.6Very high97.6Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-73-35.6177.9-67.8-58.2-48.700112.7L52 A71 K72 F77 V78 V79 L87 I92 Y95 I96 Y104 I108L52-M75 HydrophobicContact CD1-SD 3.58Å; L52-M75 VanDerWaalsContact CD1-SD 3.58Å; A71-M75 WeakPolarHBondContact O-CG 3.23Å; A71-M75 PolarHBondContact O-N 3.19Å; K72-M75 PolarHBondContact O-N 2.91Å; M75-F77 VanDerWaalsContact C-N 3.34Å; M75-V78 WeakPolarHBondContact O-CB 3.46Å; M75-V78 PolarHBondContact O-N 2.95Å; M75-V79 WeakPolarHBondContact O-CG2 3.47Å; M75-V79 PolarHBondContact O-N 2.9Å; M75-V79 VanDerWaalsContact O-N 3.07Å; M75-L87 HydrophobicContact SD-CD2 4.24Å; M75-I92 HydrophobicContact SD-CG2 4.34Å; M75-Y95 HydrophobicContact CG-CE1 4.43Å; M75-I96 HydrophobicContact CE-CD1 3.99Å; M75-I96 HydrophobicContact CG-CD1 3.87Å; M75-I96 HydrophobicContact SD-CD1 4.08Å; M75-Y104 HydrophobicContact CB-CD1 3.8Å; M75-Y104 HydrophobicContact CB-CD2 4.32Å; M75-Y104 HydrophobicContact CB-CE1 3.66Å; M75-Y104 HydrophobicContact CB-CE2 4.2Å; M75-Y104 HydrophobicContact CB-CG 4.15Å; M75-Y104 HydrophobicContact CE-CD1 4.27Å; M75-Y104 HydrophobicContact CE-CG 4.17Å; M75-I108 HydrophobicContact CE-CD1 4.11Å; M75-I108 HydrophobicContact CE-CG1 4.06Å
76D98.5Very high97.9Very high27 Ų2741.4 Ų41.414%0.14420%0.202CC..Hα-helixtrans-60.2-46.6172.2-69.2-18.2000110.3K72 V78 V79 E80 Y104K72-D76 IonicContact NZ-OD1 2.64Å; K72-D76 IonicContact NZ-OD2 3.93Å; K72-D76 PolarHBondContact NZ-OD2 3.45Å; K72-D76 WeakPolarHBondContact O-CB 3.26Å; K72-D76 PolarHBondContact O-N 2.96Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 2.98Å; D76-V79 PolarHBondContact O-N 3.48Å; D76-V79 VanDerWaalsContact O-N 3.12Å; D76-E80 WeakPolarHBondContact O-CB 3.25Å; D76-E80 VanDerWaalsContact O-CG 3.27Å; D76-E80 WeakPolarHBondContact O-CG 3.33Å; D76-E80 PolarHBondContact O-N 3.18Å; D76-Y104 WeakPolarHBondContact OD1-CE1 3.37Å; D76-Y104 PolarHBondContact OD1-OH 2.92Å
77F98.6Very high98Very high6 Ų642.1 Ų42.13%0.02621%0.205CC..Hα-helixtrans-56.4-42.1173.6160.4-107.3000112.9H20 F27 Y42 A73 A74 M75 V79 E81 L83H20-F77 AromaticContact CE1-CD2 3.39Å; H20-F77 WeakPolarHBondContact CE1-CD2 3.44Å; H20-F77 AromaticContact CE1-CE2 3.52Å; H20-F77 AromaticContact CE1-CG 3.74Å; H20-F77 AromaticContact CE1-CZ 3.98Å; F27-F77 HydrophobicContact CE1-CB 4.16Å; F27-F77 HydrophobicContact CE2-CD1 4.31Å; F27-F77 HydrophobicContact CZ-CB 3.69Å; F27-F77 AromaticContact CZ-CD1 3.77Å; F27-F77 HydrophobicContact CZ-CD1 3.77Å; F27-F77 AromaticContact CZ-CG 3.81Å; F27-F77 HydrophobicContact CZ-CG 3.81Å; Y42-F77 HydrophobicContact CE1-CE1 4.44Å; Y42-F77 AromaticContact CE2-CE1 3.93Å; Y42-F77 HydrophobicContact CE2-CE1 3.93Å; Y42-F77 HydrophobicContact CE2-CZ 4.27Å; Y42-F77 AromaticContact CZ-CE1 3.88Å; A73-F77 WeakPolarHBondContact O-CB 3.22Å; A73-F77 PolarHBondContact O-N 3.13Å; A74-F77 PolarHBondContact O-N 2.95Å; M75-F77 VanDerWaalsContact C-N 3.34Å; F77-V79 VanDerWaalsContact C-N 3.31Å; F77-V79 PolarHBondContact O-N 3.45Å; F77-E81 HydrophobicContact CD2-CB 4.48Å; F77-E81 HydrophobicContact CD2-CG 3.62Å; F77-E81 HydrophobicContact CE2-CB 4.28Å; F77-E81 HydrophobicContact CE2-CG 3.56Å; F77-E81 WeakPolarHBondContact O-CB 3.15Å; F77-E81 WeakPolarHBondContact O-CG 3.27Å; F77-E81 PolarHBondContact O-N 3.02Å; F77-E81 VanDerWaalsContact O-N 3.1Å; F77-L83 HydrophobicContact CD1-CD1 4.4Å; F77-L83 HydrophobicContact CE1-CD1 3.65Å; F77-L83 HydrophobicContact CE2-CD1 4.22Å; F77-L83 HydrophobicContact CZ-CD1 3.55Å
78V98.5Very high98.1Very high0 Ų044.8 Ų44.80%022%0.22CC..Hα-helixtrans-60.2-42.8177166.50000111.2V50 A74 M75 D76 D82 L83 A85 H107V50-V78 HydrophobicContact CG2-CG2 3.82Å; A74-V78 WeakPolarHBondContact O-CG2 3.06Å; A74-V78 PolarHBondContact O-N 3.37Å; A74-V78 VanDerWaalsContact O-N 3.11Å; M75-V78 WeakPolarHBondContact O-CB 3.46Å; M75-V78 PolarHBondContact O-N 2.95Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 2.98Å; V78-D82 PolarHBondContact O-N 3.4Å; V78-L83 HydrophobicContact CG1-CB 4.26Å; V78-L83 WeakPolarHBondContact CG1-O 3.13Å; V78-L83 PolarHBondContact O-N 3.15Å; V78-A85 HydrophobicContact CG1-CB 3.87Å; V78-A85 HydrophobicContact CG2-CB 4.11Å; V78-H107 HydrophobicContact CG1-CB 3.75Å
79V98.4Very high98.1Very high35 Ų3540.6 Ų40.621%0.21220%0.203CC..Hα-helixtrans-71.3-50179174.40000111.2M75 D76 F77 E81 D82 Q103 Y104M75-V79 WeakPolarHBondContact O-CG2 3.47Å; M75-V79 PolarHBondContact O-N 2.9Å; M75-V79 VanDerWaalsContact O-N 3.07Å; D76-V79 PolarHBondContact O-N 3.48Å; D76-V79 VanDerWaalsContact O-N 3.12Å; F77-V79 VanDerWaalsContact C-N 3.31Å; F77-V79 PolarHBondContact O-N 3.45Å; V79-E81 PolarHBondContact O-N 3.39Å; V79-D82 PolarHBondContact O-N 2.99Å; V79-D82 VanDerWaalsContact O-N 3.08Å; V79-Q103 HydrophobicContact CG1-CB 4.39Å; V79-Q103 HydrophobicContact CG2-CB 4.38Å; V79-Q103 HydrophobicContact CG2-CG 4.34Å; V79-Q103 WeakPolarHBondContact CG2-O 3.47Å; V79-Y104 HydrophobicContact CG2-CD1 3.72Å; V79-Y104 HydrophobicContact CG2-CE1 4.13Å
80E98.3Very high98.1Very high153 Ų15345.2 Ų45.272%0.71522%0.217SC*.Hα-helixtrans-59.1-34.2-176.7-74.4174.6-178.400112.7D76D76-E80 WeakPolarHBondContact O-CB 3.25Å; D76-E80 VanDerWaalsContact O-CG 3.27Å; D76-E80 WeakPolarHBondContact O-CG 3.33Å; D76-E80 PolarHBondContact O-N 3.18Å
81E98Very high98.1Very high90 Ų9047.4 Ų47.442%0.42123%0.226SC..THydrogen-bonded Turntrans-97.97.5-178.2-61.5-87.8174.300113K22 F77 V79 L83K22-E81 IonicContact NZ-OE1 3.62Å; K22-E81 PolarHBondContact NZ-OE1 2.95Å; F77-E81 HydrophobicContact CD2-CB 4.48Å; F77-E81 HydrophobicContact CD2-CG 3.62Å; F77-E81 HydrophobicContact CE2-CB 4.28Å; F77-E81 HydrophobicContact CE2-CG 3.56Å; F77-E81 WeakPolarHBondContact O-CB 3.15Å; F77-E81 WeakPolarHBondContact O-CG 3.27Å; F77-E81 PolarHBondContact O-N 3.02Å; F77-E81 VanDerWaalsContact O-N 3.1Å; V79-E81 PolarHBondContact O-N 3.39Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 HydrophobicContact CB-CD1 3.89Å; E81-L83 HydrophobicContact CB-CG 3.8Å; E81-L83 PolarHBondContact O-N 2.79Å
82D98Very high98.1Very high97 Ų9747.4 Ų47.452%0.51923%0.226SC..THydrogen-bonded Turntrans53.349.6-179.7-179.752.2000112.2K48 V78 V79K48-D82 IonicContact NZ-OD2 2.6Å; K48-D82 PolarHBondContact NZ-OD2 3.49Å; V78-D82 PolarHBondContact O-N 3.4Å; V79-D82 PolarHBondContact O-N 2.99Å; V79-D82 VanDerWaalsContact O-N 3.08Å
83L98.3Very high98.1Very high12 Ų1247.5 Ų47.56%0.06323%0.228CC..  trans-102.2151.8-179-61.1175000111.4K48 V50 F77 V78 E81 H107K48-L83 HydrophobicContact CB-CD2 4.39Å; V50-L83 HydrophobicContact CG1-CD1 4.11Å; F77-L83 HydrophobicContact CD1-CD1 4.4Å; F77-L83 HydrophobicContact CE1-CD1 3.65Å; F77-L83 HydrophobicContact CE2-CD1 4.22Å; F77-L83 HydrophobicContact CZ-CD1 3.55Å; V78-L83 HydrophobicContact CG1-CB 4.26Å; V78-L83 WeakPolarHBondContact CG1-O 3.13Å; V78-L83 PolarHBondContact O-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 HydrophobicContact CB-CD1 3.89Å; E81-L83 HydrophobicContact CB-CG 3.8Å; E81-L83 PolarHBondContact O-N 2.79Å; L83-H107 PolarHBondContact O-ND1 2.81Å
84K98.3Very high98Very high102 Ų10251 Ų5144%0.44324%0.239SC..EExtended strand (participates in β ladder)trans-88.2143.5165.1-65.2-174.4173.5-172.60109.8K48 T49 V50 H107 H109K48-K84 PolarHBondContact O-N 3.38Å; T49-K84 CarbonylContact C-O 3.57Å; T49-K84 VanDerWaalsContact CA-O 3.31Å; T49-K84 WeakPolarHBondContact CA-O 3.46Å; T49-K84 HydrophobicContact CG2-CB 4.06Å; V50-K84 PolarHBondContact N-O 3.07Å; K84-H107 CarbonylContact C-O 3.14Å; K84-H107 WeakPolarHBondContact CA-O 3.5Å; K84-H109 WeakPolarHBondContact CD-NE2 3.26Å; K84-H109 WeakPolarHBondContact CE-NE2 3.48Å; K84-H109 VanDerWaalsContact CG-CD2 3.49Å; K84-H109 WeakPolarHBondContact CG-CD2 2.8Å; K84-H109 WeakPolarHBondContact CG-NE2 3.29Å
85A98.3Very high98Very high0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-121.5127178.800000111.9V50 V78 L87 H107 I108 H109V50-A85 HydrophobicContact CG2-CB 4.43Å; V50-A85 CarbonylContact O-C 3.43Å; V50-A85 WeakPolarHBondContact O-CA 3.49Å; V78-A85 HydrophobicContact CG1-CB 3.87Å; V78-A85 HydrophobicContact CG2-CB 4.11Å; A85-L87 HydrophobicContact CB-CD2 4.18Å; A85-H107 PolarHBondContact N-O 3.29Å; A85-I108 WeakPolarHBondContact O-CA 3.42Å; A85-H109 PolarHBondContact O-N 3.34Å
86H97.9Very high98Very high32 Ų3252.1 Ų52.115%0.14824%0.243CC..EExtended strand (participates in β ladder)trans-91.6144.9155.2-62.9-53.7000108.8T49 V50 D51 L52 H109 P110 M111T49-H86 VanDerWaalsContact CG2-CD2 3.48Å; T49-H86 WeakPolarHBondContact CG2-CD2 3.46Å; V50-H86 PolarHBondContact O-N 2.83Å; D51-H86 WeakPolarHBondContact CA-O 3.45Å; D51-H86 HydrophobicContact CB-CB 4.22Å; D51-H86 VanDerWaalsContact OD1-O 3.13Å; L52-H86 PolarHBondContact N-O 3.43Å; H86-H109 PolarHBondContact ND1-O 3.12Å; H86-P110 PolarHBondContact CE1-O 2.76Å; H86-M111 HydrophobicContact CB-CG 3.57Å; H86-M111 HydrophobicContact CB-SD 4.03Å; H86-M111 WeakPolarHBondContact ND1-CG 3.23Å
87L97.4Very high97.9Very high18 Ų1859.3 Ų59.39%0.09427%0.273CS..  trans-119.481.1-176.2-55.5-172.5000109.9L52 M75 A85 C89 I92 Q93 I96 I108L52-L87 HydrophobicContact CB-CD2 4.14Å; L52-L87 HydrophobicContact CD1-CD2 3.79Å; L52-L87 HydrophobicContact CG-CD2 4.07Å; M75-L87 HydrophobicContact SD-CD2 4.24Å; A85-L87 HydrophobicContact CB-CD2 4.18Å; L87-C89 VanDerWaalsContact C-N 3.35Å; L87-I92 HydrophobicContact CD1-CG2 4.23Å; L87-I92 HydrophobicContact CD2-CG2 3.83Å; L87-Q93 HydrophobicContact CB-CG 3.78Å; L87-Q93 HydrophobicContact CD1-CG 4.5Å; L87-Q93 WeakPolarHBondContact O-CG 3.35Å; L87-Q93 PolarHBondContact O-NE2 2.95Å; L87-I96 HydrophobicContact CD1-CG1 3.95Å; L87-I108 HydrophobicContact CD1-CD1 3.83Å; L87-I108 HydrophobicContact CD1-CG1 4.06Å; L87-I108 HydrophobicContact CD1-CG2 4.18Å; L87-I108 HydrophobicContact CG-CG1 4.4Å; L87-I108 HydrophobicContact CG-CG2 4.31Å
88T97.5Very high97.8Very high69 Ų6964.8 Ų64.842%0.42330%0.299SS..  trans-71.2-31.7172.3-64.30000111.9D51 L52 W90 M111D51-T88 VanDerWaalsContact CG-OG1 3.24Å; D51-T88 WeakPolarHBondContact OD1-CB 3.12Å; D51-T88 PolarHBondContact OD1-N 3.13Å; D51-T88 PolarHBondContact OD1-OG1 3.06Å; D51-T88 WeakPolarHBondContact OD2-CB 3.34Å; D51-T88 PolarHBondContact OD2-OG1 3.35Å; L52-T88 PolarHBondContact O-N 3.3Å; T88-W90 PolarHBondContact O-N 3.19Å; T88-M111 WeakPolarHBondContact OG1-CE 3.37Å
89C97.5Very high97.7Very high6 Ų666.4 Ų66.44%0.04131%0.308CS..  trans-70.2116.5179.2-171.30000112.2L52 Q53 L87 Y91 I92 Q93L52-C89 VanDerWaalsContact O-CB 3.23Å; L52-C89 WeakPolarHBondContact O-CB 3.48Å; L52-C89 PolarHBondContact O-N 3.44Å; Q53-C89 WeakPolarHBondContact O-CA 3.4Å; Q53-C89 WeakPolarHBondContact O-CB 3.38Å; L87-C89 VanDerWaalsContact C-N 3.35Å; C89-Y91 PolarHBondContact O-N 3.2Å; C89-Y91 VanDerWaalsContact O-N 3.14Å; C89-I92 HydrophobicContact CB-CB 4.22Å; C89-I92 HydrophobicContact CB-CD1 3.74Å; C89-I92 HydrophobicContact CB-CG1 3.82Å; C89-I92 PolarHBondContact O-N 3.26Å; C89-I92 VanDerWaalsContact O-N 3.07Å; C89-Q93 PolarHBondContact O-N 3.02Å; C89-Q93 VanDerWaalsContact O-N 3.12Å
90W97.1Very high97.6Very high177 Ų17768.5 Ų68.567%0.6732%0.322SS*.Hα-helixtrans-54.4-34.6176.671-96000113.1T88 K94T88-W90 PolarHBondContact O-N 3.19Å; W90-K94 HydrophobicContact CZ3-CD 4.24Å; W90-K94 WeakPolarHBondContact O-CB 3.21Å; W90-K94 PolarHBondContact O-N 3.1Å
91Y97.8Very high97.5Very high47 Ų4765.7 Ų65.718%0.18431%0.309CS..Hα-helixtrans-68.8-38.6-178.4-178.8-92.7000111.1T55 A67 K68 A71 C89 K94 Y95T55-Y91 HydrophobicContact CG2-CD1 4.13Å; A67-Y91 HydrophobicContact CB-CD1 4.05Å; A67-Y91 HydrophobicContact CB-CE1 3.37Å; A67-Y91 HydrophobicContact CB-CE2 3.92Å; A67-Y91 WeakPolarHBondContact CB-OH 3.46Å; A67-Y91 WeakPolarHBondContact O-CE1 3.37Å; K68-Y91 PolarHBondContact N-OH 2.93Å; K68-Y91 VanDerWaalsContact N-OH 3.13Å; A71-Y91 HydrophobicContact CB-CE1 4.2Å; C89-Y91 PolarHBondContact O-N 3.2Å; C89-Y91 VanDerWaalsContact O-N 3.14Å; Y91-K94 WeakPolarHBondContact O-CB 3.46Å; Y91-K94 PolarHBondContact O-N 2.95Å; Y91-Y95 WeakPolarHBondContact O-CB 3.43Å; Y91-Y95 PolarHBondContact O-N 2.92Å
92I97.8Very high97.5Very high0 Ų065.7 Ų65.70%032%0.317CS..Hα-helixtrans-72.5-40.5179.8-55176.6000110L40 L52 M75 L87 C89 K94 Y95 I96L40-I92 HydrophobicContact CD1-CD1 3.58Å; L40-I92 HydrophobicContact CD1-CG1 4.16Å; L40-I92 HydrophobicContact CD2-CD1 4.27Å; L40-I92 HydrophobicContact CG-CD1 3.98Å; L52-I92 HydrophobicContact CB-CD1 3.37Å; L52-I92 HydrophobicContact CD1-CD1 4.07Å; L52-I92 HydrophobicContact CD1-CG2 4.06Å; L52-I92 HydrophobicContact CG-CD1 4.34Å; M75-I92 HydrophobicContact SD-CG2 4.34Å; L87-I92 HydrophobicContact CD1-CG2 4.23Å; L87-I92 HydrophobicContact CD2-CG2 3.83Å; C89-I92 HydrophobicContact CB-CB 4.22Å; C89-I92 HydrophobicContact CB-CD1 3.74Å; C89-I92 HydrophobicContact CB-CG1 3.82Å; C89-I92 PolarHBondContact O-N 3.26Å; C89-I92 VanDerWaalsContact O-N 3.07Å; I92-K94 VanDerWaalsContact C-N 3.28Å; I92-K94 PolarHBondContact O-N 3.25Å; I92-Y95 WeakPolarHBondContact O-CB 3.45Å; I92-Y95 PolarHBondContact O-N 3.28Å; I92-Y95 VanDerWaalsContact O-N 3.15Å; I92-I96 WeakPolarHBondContact O-CG1 3.48Å; I92-I96 PolarHBondContact O-N 3.14Å
93Q97.8Very high97.5Very high104 Ų10465.3 Ų65.349%0.48631%0.312SS..Hα-helixtrans-54.4-47170-65.9178.3-18.900111.4L87 C89 I96 K97L87-Q93 HydrophobicContact CB-CG 3.78Å; L87-Q93 HydrophobicContact CD1-CG 4.5Å; L87-Q93 WeakPolarHBondContact O-CG 3.35Å; L87-Q93 PolarHBondContact O-NE2 2.95Å; C89-Q93 PolarHBondContact O-N 3.02Å; C89-Q93 VanDerWaalsContact O-N 3.12Å; Q93-I96 PolarHBondContact O-N 2.96Å; Q93-K97 PolarHBondContact O-N 3.37Å; Q93-K97 VanDerWaalsContact O-N 3.1Å
94K97.8Very high97.5Very high97 Ų9765.1 Ų65.142%0.42231%0.31SS..Hα-helixtrans-60.9-46.8174.8179.6-177.3174.2179.90111.7W90 Y91 I92 I96 K97 E98W90-K94 HydrophobicContact CZ3-CD 4.24Å; W90-K94 WeakPolarHBondContact O-CB 3.21Å; W90-K94 PolarHBondContact O-N 3.1Å; Y91-K94 WeakPolarHBondContact O-CB 3.46Å; Y91-K94 PolarHBondContact O-N 2.95Å; I92-K94 VanDerWaalsContact C-N 3.28Å; I92-K94 PolarHBondContact O-N 3.25Å; K94-I96 VanDerWaalsContact C-N 3.34Å; K94-I96 PolarHBondContact O-N 3.25Å; K94-K97 PolarHBondContact O-N 2.67Å; K94-E98 VanDerWaalsContact CE-CD 3.41Å; K94-E98 WeakPolarHBondContact CE-OE1 3.49Å; K94-E98 WeakPolarHBondContact CE-OE2 3.48Å; K94-E98 HydrophobicContact CG-CG 4.4Å; K94-E98 IonicContact NZ-OE1 3.71Å; K94-E98 WeakPolarHBondContact O-CG 3.44Å; K94-E98 PolarHBondContact O-N 3.44Å
95Y97.9Very high97.4Very high11 Ų1164.5 Ų64.54%0.04331%0.311CS..Hα-helixtrans-56.4-46.7179.5170.1-99.2000111.8K68 A71 K72 M75 Y91 I92 E98 N99 Y104K68-Y95 HydrophobicContact CD-CE2 4.33Å; K68-Y95 HydrophobicContact CG-CD2 3.82Å; K68-Y95 HydrophobicContact CG-CE2 3.48Å; K68-Y95 VanDerWaalsContact CG-CE2 3.48Å; A71-Y95 HydrophobicContact CB-CD1 3.69Å; A71-Y95 HydrophobicContact CB-CD2 3.98Å; A71-Y95 HydrophobicContact CB-CE1 4.12Å; A71-Y95 HydrophobicContact CB-CE2 4.38Å; A71-Y95 HydrophobicContact CB-CG 3.61Å; K72-Y95 WeakPolarHBondContact CA-OH 3.4Å; K72-Y95 WeakPolarHBondContact CB-OH 3.33Å; M75-Y95 HydrophobicContact CG-CE1 4.43Å; Y91-Y95 WeakPolarHBondContact O-CB 3.43Å; Y91-Y95 PolarHBondContact O-N 2.92Å; I92-Y95 WeakPolarHBondContact O-CB 3.45Å; I92-Y95 PolarHBondContact O-N 3.28Å; I92-Y95 VanDerWaalsContact O-N 3.15Å; Y95-E98 PolarHBondContact O-N 3.45Å; Y95-N99 WeakPolarHBondContact CD2-ND2 3.23Å; Y95-N99 HydrophobicContact CE2-CB 4.29Å; Y95-N99 WeakPolarHBondContact O-CB 3.29Å; Y95-N99 PolarHBondContact O-N 2.82Å; Y95-N99 PolarHBondContact O-ND2 2.98Å; Y95-Y104 HydrophobicContact CE1-CE2 4.28Å
96I97.6Very high97.4Very high11 Ų1171.4 Ų71.46%0.05634%0.344CS..Hα-helixtrans-63.6-43.9177.5-67.1-60.7000111.3M75 L87 I92 Q93 K94 E98 N99 P100 Y104 L105 I108M75-I96 HydrophobicContact CE-CD1 3.99Å; M75-I96 HydrophobicContact CG-CD1 3.87Å; M75-I96 HydrophobicContact SD-CD1 4.08Å; L87-I96 HydrophobicContact CD1-CG1 3.95Å; I92-I96 WeakPolarHBondContact O-CG1 3.48Å; I92-I96 PolarHBondContact O-N 3.14Å; Q93-I96 PolarHBondContact O-N 2.96Å; K94-I96 VanDerWaalsContact C-N 3.34Å; K94-I96 PolarHBondContact O-N 3.25Å; I96-E98 VanDerWaalsContact C-N 3.26Å; I96-E98 PolarHBondContact O-N 3.17Å; I96-N99 CarbonylContact O-C 3.52Å; I96-N99 PolarHBondContact O-N 2.93Å; I96-P100 WeakPolarHBondContact O-CA 3.48Å; I96-P100 VanDerWaalsContact O-N 3.09Å; I96-Y104 HydrophobicContact CD1-CD2 3.8Å; I96-Y104 HydrophobicContact CD1-CG 4.13Å; I96-L105 HydrophobicContact CG2-CD2 3.66Å; I96-I108 HydrophobicContact CB-CD1 4.26Å; I96-I108 HydrophobicContact CD1-CD1 3.98Å; I96-I108 HydrophobicContact CG1-CD1 3.76Å; I96-I108 HydrophobicContact CG2-CD1 3.64Å
97K97.2Very high97.4Very high178 Ų17871.3 Ų71.377%0.77434%0.343SS*.Hα-helixtrans-60.1-37.9177.5-175.6178.7177.8179.90112.1Q93 K94Q93-K97 PolarHBondContact O-N 3.37Å; Q93-K97 VanDerWaalsContact O-N 3.1Å; K94-K97 PolarHBondContact O-N 2.67Å
98E97.1Very high97.4Very high122 Ų12272.6 Ų72.657%0.5735%0.35SS*.Hα-helixtrans-83.4-17.2178.9-68.8177.8165.600113.3K94 Y95 I96K94-E98 VanDerWaalsContact CE-CD 3.41Å; K94-E98 WeakPolarHBondContact CE-OE1 3.49Å; K94-E98 WeakPolarHBondContact CE-OE2 3.48Å; K94-E98 HydrophobicContact CG-CG 4.4Å; K94-E98 IonicContact NZ-OE1 3.71Å; K94-E98 WeakPolarHBondContact O-CG 3.44Å; K94-E98 PolarHBondContact O-N 3.44Å; Y95-E98 PolarHBondContact O-N 3.45Å; I96-E98 VanDerWaalsContact C-N 3.26Å; I96-E98 PolarHBondContact O-N 3.17Å
99N96.6Very high97Very high34 Ų3472.4 Ų72.418%0.18234%0.344CS..SBendtrans-136.263.3-178.5-52.6-101.2000110.1K68 Y95 I96 Q101K68-N99 WeakPolarHBondContact CE-OD1 3.44Å; K68-N99 PolarHBondContact NZ-OD1 3.32Å; Y95-N99 WeakPolarHBondContact CD2-ND2 3.23Å; Y95-N99 HydrophobicContact CE2-CB 4.29Å; Y95-N99 WeakPolarHBondContact O-CB 3.29Å; Y95-N99 PolarHBondContact O-N 2.82Å; Y95-N99 PolarHBondContact O-ND2 2.98Å; I96-N99 CarbonylContact O-C 3.52Å; I96-N99 PolarHBondContact O-N 2.93Å; N99-Q101 PolarHBondContact O-N 3.02Å
100P95.6Very high96.2Very high79 Ų7977.6 Ų77.651%0.51338%0.378SS..  trans-74.694-174.530.4-35000110.7I96 L105I96-P100 WeakPolarHBondContact O-CA 3.48Å; I96-P100 VanDerWaalsContact O-N 3.09Å; P100-L105 HydrophobicContact CB-CD1 4.24Å
101Q97Very high94.8Very high94 Ų9478 Ų7844%0.43939%0.389SS..  trans-90.8132.9170.8-63.1-66.9-29.200109.2N99 Q103 Y104 L105N99-Q101 PolarHBondContact O-N 3.02Å; Q101-Q103 VanDerWaalsContact C-N 3.3Å; Q101-Q103 HydrophobicContact CB-CG 4.18Å; Q101-Q103 PolarHBondContact O-N 3.06Å; Q101-Y104 HydrophobicContact CB-CD2 3.58Å; Q101-Y104 HydrophobicContact CB-CE2 3.96Å; Q101-Y104 HydrophobicContact CB-CG 3.92Å; Q101-Y104 HydrophobicContact CG-CD2 3.82Å; Q101-Y104 HydrophobicContact CG-CE2 3.73Å; Q101-Y104 PolarHBondContact O-N 2.9Å; Q101-L105 PolarHBondContact O-N 3.3Å; Q101-L105 VanDerWaalsContact O-N 3.16Å
102P97.5Very high94.6Very high89 Ų8979.6 Ų79.658%0.57840%0.399SS*.Hα-helixtrans-51.1-47.8179.7-2935.4000113Y104 L105 E106P102-Y104 VanDerWaalsContact C-N 3.25Å; P102-Y104 PolarHBondContact O-N 3.16Å; P102-L105 PolarHBondContact O-N 3.14Å; P102-E106 WeakPolarHBondContact O-CG 3.46Å; P102-E106 PolarHBondContact O-N 3.35Å; P102-E106 VanDerWaalsContact O-N 3.08Å
103Q97.2Very high94.5Very high89 Ų8983.7 Ų83.742%0.41642%0.42SS..Hα-helixtrans-59.7-3017865.8-173.45700113.8V79 Q101 H107V79-Q103 HydrophobicContact CG1-CB 4.39Å; V79-Q103 HydrophobicContact CG2-CB 4.38Å; V79-Q103 HydrophobicContact CG2-CG 4.34Å; V79-Q103 WeakPolarHBondContact CG2-O 3.47Å; Q101-Q103 VanDerWaalsContact C-N 3.3Å; Q101-Q103 HydrophobicContact CB-CG 4.18Å; Q101-Q103 PolarHBondContact O-N 3.06Å; Q103-H107 PolarHBondContact O-CD2 2.86Å
104Y97.8Very high94.3Very high9 Ų982.6 Ų82.64%0.03542%0.417CS..Hα-helixtrans-75.5-41.4175.6-65.6-19.8000110.8M75 D76 V79 Y95 I96 Q101 P102 E106 H107 I108M75-Y104 HydrophobicContact CB-CD1 3.8Å; M75-Y104 HydrophobicContact CB-CD2 4.32Å; M75-Y104 HydrophobicContact CB-CE1 3.66Å; M75-Y104 HydrophobicContact CB-CE2 4.2Å; M75-Y104 HydrophobicContact CB-CG 4.15Å; M75-Y104 HydrophobicContact CE-CD1 4.27Å; M75-Y104 HydrophobicContact CE-CG 4.17Å; D76-Y104 WeakPolarHBondContact OD1-CE1 3.37Å; D76-Y104 PolarHBondContact OD1-OH 2.92Å; V79-Y104 HydrophobicContact CG2-CD1 3.72Å; V79-Y104 HydrophobicContact CG2-CE1 4.13Å; Y95-Y104 HydrophobicContact CE1-CE2 4.28Å; I96-Y104 HydrophobicContact CD1-CD2 3.8Å; I96-Y104 HydrophobicContact CD1-CG 4.13Å; Q101-Y104 HydrophobicContact CB-CD2 3.58Å; Q101-Y104 HydrophobicContact CB-CE2 3.96Å; Q101-Y104 HydrophobicContact CB-CG 3.92Å; Q101-Y104 HydrophobicContact CG-CD2 3.82Å; Q101-Y104 HydrophobicContact CG-CE2 3.73Å; Q101-Y104 PolarHBondContact O-N 2.9Å; P102-Y104 VanDerWaalsContact C-N 3.25Å; P102-Y104 PolarHBondContact O-N 3.16Å; Y104-E106 VanDerWaalsContact C-N 3.31Å; Y104-E106 PolarHBondContact O-N 3.09Å; Y104-H107 PolarHBondContact O-N 3.02Å; Y104-I108 WeakPolarHBondContact O-CD1 3.41Å; Y104-I108 VanDerWaalsContact O-CG1 3.29Å; Y104-I108 WeakPolarHBondContact O-CG1 3.37Å; Y104-I108 PolarHBondContact O-N 2.97Å
105L97.4Very high94.1Very high89 Ų8981.8 Ų81.847%0.46642%0.417SS..Hα-helixtrans-66-34-177.1-62.9176.5000112.2I96 P100 Q101 P102 H107 I108I96-L105 HydrophobicContact CG2-CD2 3.66Å; P100-L105 HydrophobicContact CB-CD1 4.24Å; Q101-L105 PolarHBondContact O-N 3.3Å; Q101-L105 VanDerWaalsContact O-N 3.16Å; P102-L105 PolarHBondContact O-N 3.14Å; L105-H107 PolarHBondContact O-N 3.02Å; L105-I108 HydrophobicContact CD2-CD1 4.46Å; L105-I108 PolarHBondContact O-N 3.31Å
106E97.8Very high93.9Very high145 Ų14586.2 Ų86.268%0.67844%0.44SS*.Hα-helixtrans-64.4-26.4176.9-71.6178.4148.300113.4P102 Y104P102-E106 WeakPolarHBondContact O-CG 3.46Å; P102-E106 PolarHBondContact O-N 3.35Å; P102-E106 VanDerWaalsContact O-N 3.08Å; Y104-E106 VanDerWaalsContact C-N 3.31Å; Y104-E106 PolarHBondContact O-N 3.09Å
107H97.9Very high93.6Very high29 Ų2991.2 Ų91.213%0.13447%0.465CS..Hα-helixtrans-95.6-11.9-178.5-71.4-108.4000113V78 L83 K84 A85 Q103 Y104 L105 H109V78-H107 HydrophobicContact CG1-CB 3.75Å; L83-H107 PolarHBondContact O-ND1 2.81Å; K84-H107 CarbonylContact C-O 3.14Å; K84-H107 WeakPolarHBondContact CA-O 3.5Å; A85-H107 PolarHBondContact N-O 3.29Å; Q103-H107 PolarHBondContact O-CD2 2.86Å; Y104-H107 PolarHBondContact O-N 3.02Å; L105-H107 PolarHBondContact O-N 3.02Å; H107-H109 PolarHBondContact O-CD2 3.16Å; H107-H109 VanDerWaalsContact O-CD2 3.3Å
108I97.1Very high93.4Very high45 Ų4585 Ų8523%0.23144%0.443CS..BIsolated β-bridgetrans-85.6123.2-179-67.7161.1000109.7M75 A85 L87 I96 Y104 L105M75-I108 HydrophobicContact CE-CD1 4.11Å; M75-I108 HydrophobicContact CE-CG1 4.06Å; A85-I108 WeakPolarHBondContact O-CA 3.42Å; L87-I108 HydrophobicContact CD1-CD1 3.83Å; L87-I108 HydrophobicContact CD1-CG1 4.06Å; L87-I108 HydrophobicContact CD1-CG2 4.18Å; L87-I108 HydrophobicContact CG-CG1 4.4Å; L87-I108 HydrophobicContact CG-CG2 4.31Å; I96-I108 HydrophobicContact CB-CD1 4.26Å; I96-I108 HydrophobicContact CD1-CD1 3.98Å; I96-I108 HydrophobicContact CG1-CD1 3.76Å; I96-I108 HydrophobicContact CG2-CD1 3.64Å; Y104-I108 WeakPolarHBondContact O-CD1 3.41Å; Y104-I108 VanDerWaalsContact O-CG1 3.29Å; Y104-I108 WeakPolarHBondContact O-CG1 3.37Å; Y104-I108 PolarHBondContact O-N 2.97Å; L105-I108 HydrophobicContact CD2-CD1 4.46Å; L105-I108 PolarHBondContact O-N 3.31Å
109H90.3Very high93.1Very high65 Ų6582.2 Ų82.230%0.30143%0.434SS..  trans-119.3139177.1-67.7-84.7000110.7K84 A85 H86 H107K84-H109 WeakPolarHBondContact CD-NE2 3.26Å; K84-H109 WeakPolarHBondContact CE-NE2 3.48Å; K84-H109 VanDerWaalsContact CG-CD2 3.49Å; K84-H109 WeakPolarHBondContact CG-CD2 2.8Å; K84-H109 WeakPolarHBondContact CG-NE2 3.29Å; A85-H109 PolarHBondContact O-N 3.34Å; H86-H109 PolarHBondContact ND1-O 3.12Å; H107-H109 PolarHBondContact O-CD2 3.16Å; H107-H109 VanDerWaalsContact O-CD2 3.3Å
110P80Confident92.8Very high116 Ų11686.2 Ų86.275%0.75346%0.455SS*.  trans-61.4144.2168.927-32.1000109.8H86H86-P110 PolarHBondContact CE1-O 2.76Å
111M67.6Low92.5Very high185 Ų18586.8 Ų86.891%0.91145%0.449SS*.  trans-72.60167.5-73-160.5-66.900110.9H86 T88H86-M111 HydrophobicContact CB-CG 3.57Å; H86-M111 HydrophobicContact CB-SD 4.03Å; H86-M111 WeakPolarHBondContact ND1-CG 3.23Å; T88-M111 WeakPolarHBondContact OG1-CE 3.37Å

Retrieved 111 of 111 residues in 72.4 ms (Link to these results)

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