G4VIY0_SCHMA Loading...

GIY-YIG domain-containing protein

AlphaFold DB , UniProt , Accession G4VIY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 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
1M51.8Low88.2Confident213 Ų21347.2 Ų47.2100%1.04925%0.253SS*.  0132.50-67.5-172.2-164.700107.8T3M1-T3 PolarHBondContact O-N 3.3Å
2S63.7Low89.1Confident57 Ų5744.5 Ų44.540%0.39924%0.241SC..  trans-60.3133.4176.9-179.90000110.1Q4S2-Q4 PolarHBondContact OG-N 2.76Å
3T85.3Confident89.8Confident39 Ų3948 Ų4824%0.23926%0.264CS..  trans-110.716172.477.40000112.2M1 C6 E26 I27M1-T3 PolarHBondContact O-N 3.3Å; T3-C6 PolarHBondContact O-SG 2.69Å; T3-C6 VanDerWaalsContact O-SG 3.41Å; T3-E26 PolarHBondContact OG1-OE2 3.35Å; T3-I27 HydrophobicContact CG2-CG2 4.12Å; T3-I27 PolarHBondContact O-N 3.26Å; T3-I27 VanDerWaalsContact O-N 3.13Å; T3-I27 WeakPolarHBondContact OG1-CG2 3.22Å; T3-I27 PolarHBondContact OG1-N 2.87Å
4Q93.4Very high90.4Very high72 Ų7250.9 Ų50.934%0.33628%0.279SS..SBendtrans-92.5169.4175.6-51.6-169.3-22.400111.4S2 C6 E26S2-Q4 PolarHBondContact OG-N 2.76Å; Q4-C6 PolarHBondContact O-N 3.06Å; Q4-E26 HydrophobicContact CG-CG 3.93Å; Q4-E26 WeakPolarHBondContact CG-OE1 3.47Å; Q4-E26 PolarHBondContact NE2-OE1 3.1Å
5N95.4Very high90.9Very high52 Ų5250.6 Ų50.628%0.27828%0.281SS..SBendtrans43.860.3175.9-65.1-51.1000111.8S23 S24 K78 D79 F80 R86N5-S23 CarbonylContact C-O 3.53Å; N5-S23 WeakPolarHBondContact CA-O 3.39Å; N5-S23 PolarHBondContact N-O 3.33Å; N5-S23 VanDerWaalsContact N-O 3.13Å; N5-S24 WeakPolarHBondContact OD1-CA 3.36Å; N5-K78 CarbonylContact O-C 3.53Å; N5-K78 WeakPolarHBondContact O-CA 3.35Å; N5-D79 PolarHBondContact O-N 3.36Å; N5-F80 HydrophobicContact CB-CB 4.43Å; N5-F80 WeakPolarHBondContact O-CD2 3.47Å; N5-F80 PolarHBondContact O-N 2.83Å; N5-R86 PolarHBondContact OD1-NH1 2.93Å
6C95.7Very high91.3Very high0 Ų057.3 Ų57.30%032%0.317CS..EExtended strand (participates in β ladder)trans-136.9160.3-17268.30000113.4T3 Q4 E22 S23 I75 Q77 K78 R86T3-C6 PolarHBondContact O-SG 2.69Å; T3-C6 VanDerWaalsContact O-SG 3.41Å; Q4-C6 PolarHBondContact O-N 3.06Å; C6-E22 CarbonylContact O-C 2.99Å; C6-E22 VanDerWaalsContact O-CA 3.3Å; C6-E22 WeakPolarHBondContact O-CA 3.47Å; C6-S23 PolarHBondContact N-O 2.89Å; C6-S23 PolarHBondContact O-N 3.06Å; C6-I75 HydrophobicContact CB-CD1 4.39Å; C6-I75 HydrophobicContact CB-CG2 4.14Å; C6-Q77 CarbonylContact C-O 3.56Å; C6-Q77 VanDerWaalsContact CA-O 3.24Å; C6-Q77 WeakPolarHBondContact CA-O 3.24Å; C6-Q77 VanDerWaalsContact CB-O 3.26Å; C6-Q77 WeakPolarHBondContact CB-O 3.42Å; C6-K78 HydrophobicContact CB-CB 3.94Å; C6-R86 WeakPolarHBondContact O-CD 3.29Å
7V95.9Very high91.7Very high0 Ų055 Ų550%031%0.307CS..EExtended strand (participates in β ladder)trans-106.5133.2162.7177.40000107.1I20 G21 E22 L76 Q77 F80 R86 A89 E90 H93V7-I20 HydrophobicContact CG1-CG2 3.83Å; V7-G21 CarbonylContact C-O 3.56Å; V7-G21 WeakPolarHBondContact CA-O 3.37Å; V7-E22 HydrophobicContact CG2-CB 4.35Å; V7-L76 HydrophobicContact CG1-CB 4.39Å; V7-L76 HydrophobicContact CG1-CD1 4.22Å; V7-L76 PolarHBondContact O-N 3.39Å; V7-Q77 PolarHBondContact N-O 2.93Å; V7-Q77 PolarHBondContact O-N 3.25Å; V7-F80 HydrophobicContact CB-CE2 4.44Å; V7-F80 HydrophobicContact CG2-CE2 3.78Å; V7-F80 HydrophobicContact CG2-CZ 4.05Å; V7-R86 HydrophobicContact CG2-CG 4.04Å; V7-A89 HydrophobicContact CG2-CB 3.93Å; V7-E90 HydrophobicContact CG2-CB 4.21Å; V7-H93 HydrophobicContact CG1-CB 4.45Å
8Y96.8Very high92Very high1 Ų152.8 Ų52.80%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-131.8158.1-174.664.8-88.3000111.8L10 Y19 I20 G21 I27 R30 H34 I73 K74Y8-L10 HydrophobicContact CD2-CB 4.34Å; Y8-L10 HydrophobicContact CE2-CB 4.31Å; Y8-Y19 HydrophobicContact CE2-CD1 4.37Å; Y8-Y19 HydrophobicContact CE2-CE1 4.39Å; Y8-I20 WeakPolarHBondContact O-CA 3.46Å; Y8-G21 WeakPolarHBondContact CD1-O 3.31Å; Y8-G21 VanDerWaalsContact CE1-O 3.24Å; Y8-G21 WeakPolarHBondContact CE1-O 3.43Å; Y8-G21 PolarHBondContact N-O 2.84Å; Y8-G21 PolarHBondContact O-N 3.04Å; Y8-I27 HydrophobicContact CD1-CD1 3.33Å; Y8-I27 HydrophobicContact CD2-CD1 3.85Å; Y8-I27 HydrophobicContact CE1-CD1 3.85Å; Y8-I27 HydrophobicContact CE2-CD1 4.31Å; Y8-I27 HydrophobicContact CG-CD1 3.36Å; Y8-R30 HydrophobicContact CE1-CG 3.8Å; Y8-R30 HydrophobicContact CE2-CG 4.48Å; Y8-R30 WeakPolarHBondContact OH-CG 3.26Å; Y8-R30 PolarHBondContact OH-NE 3.46Å; Y8-H34 AromaticContact CZ-NE2 3.97Å; Y8-H34 PolarHBondContact OH-NE2 2.82Å; Y8-H34 VanDerWaalsContact OH-NE2 3.08Å; Y8-I73 HydrophobicContact CD2-CG2 3.85Å; Y8-I73 HydrophobicContact CG-CG2 4.19Å; Y8-K74 CarbonylContact C-O 3.47Å; Y8-K74 VanDerWaalsContact CA-O 3.23Å; Y8-K74 WeakPolarHBondContact CA-O 3.32Å
9K97.5Very high92.3Very high66 Ų6650.5 Ų50.529%0.28728%0.28SS..EExtended strand (participates in β ladder)trans-113.5128.6170.2175.9177175.2164.60108.9F18 Y19 K74 L76K9-F18 HydrophobicContact CD-CB 4.43Å; K9-F18 HydrophobicContact CD-CD2 3.99Å; K9-F18 HydrophobicContact CD-CE2 4.49Å; K9-F18 HydrophobicContact CD-CG 4.23Å; K9-F18 HydrophobicContact CG-CB 4.13Å; K9-F18 HydrophobicContact CG-CD2 4.01Å; K9-F18 HydrophobicContact CG-CG 4.31Å; K9-Y19 CarbonylContact C-O 3.5Å; K9-Y19 WeakPolarHBondContact CA-O 3.33Å; K9-K74 HydrophobicContact CB-CB 4.32Å; K9-K74 PolarHBondContact N-O 2.93Å; K9-K74 PolarHBondContact O-N 3.47Å; K9-L76 HydrophobicContact CB-CD1 4.13Å; K9-L76 HydrophobicContact CB-CD2 4.04Å; K9-L76 HydrophobicContact CB-CG 4.15Å
10L97.4Very high92.5Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-116.9121.2176.5-174.263.4000108.5Y8 F18 Y19 H34 I57 I68 D69 F70 I73Y8-L10 HydrophobicContact CD2-CB 4.34Å; Y8-L10 HydrophobicContact CE2-CB 4.31Å; L10-F18 CarbonylContact O-C 3.59Å; L10-F18 VanDerWaalsContact O-CA 3.26Å; L10-F18 WeakPolarHBondContact O-CA 3.45Å; L10-F18 WeakPolarHBondContact O-CB 3.39Å; L10-Y19 PolarHBondContact N-O 3.24Å; L10-Y19 PolarHBondContact O-N 3.39Å; L10-H34 HydrophobicContact CD2-CB 4.5Å; L10-I57 HydrophobicContact CB-CD1 3.86Å; L10-I57 HydrophobicContact CD2-CD1 3.8Å; L10-I57 HydrophobicContact CD2-CG1 4.45Å; L10-I57 HydrophobicContact CD2-CG2 4.1Å; L10-I57 HydrophobicContact CG-CD1 3.58Å; L10-I57 VanDerWaalsContact O-CD1 3.25Å; L10-I57 WeakPolarHBondContact O-CD1 3.39Å; L10-I68 HydrophobicContact CD1-CG2 3.72Å; L10-I68 HydrophobicContact CD2-CG2 3.77Å; L10-I68 HydrophobicContact CG-CG2 3.52Å; L10-D69 WeakPolarHBondContact CD1-O 3.45Å; L10-F70 HydrophobicContact CD1-CD1 4.03Å; L10-F70 HydrophobicContact CD1-CE1 4.35Å; L10-F70 HydrophobicContact CD2-CD1 4.23Å; L10-F70 HydrophobicContact CD2-CE1 3.76Å; L10-I73 HydrophobicContact CD1-CD1 4.05Å; L10-I73 HydrophobicContact CD1-CG1 3.76Å
11G97.7Very high92.7Very high19 Ų1945.7 Ų45.720%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-100.3152.6-174.100000113.4I68 D69G11-I68 WeakPolarHBondContact O-CG2 3.34Å; G11-D69 PolarHBondContact O-N 2.89Å
12C98.4Very high94.7Very high15 Ų1537.3 Ų37.310%0.10121%0.212CC..BIsolated β-bridgetrans-77.1145.6161.2-175.90000109.7D14 C15 A17 H60 I68C12-D14 PolarHBondContact SG-N 3.04Å; C12-D14 VanDerWaalsContact SG-N 3.35Å; C12-C15 WeakPolarHBondContact CB-O 3.42Å; C12-C15 PolarHBondContact SG-N 2.87Å; C12-C15 VanDerWaalsContact SG-SG 3.6Å; C12-A17 HydrophobicContact CB-CB 4.18Å; C12-A17 VanDerWaalsContact CB-O 3.31Å; C12-A17 WeakPolarHBondContact CB-O 3.28Å; C12-A17 PolarHBondContact N-O 3.31Å; C12-H60 PolarHBondContact SG-NE2 2.97Å; C12-H60 VanDerWaalsContact SG-NE2 3.44Å; C12-I68 HydrophobicContact CB-CD1 4.35Å
13V98Very high96.3Very high90 Ų9035 Ų3555%0.54520%0.196SC..SBendtrans-83.4-35174.4178.90000110.7Q67 D69V13-Q67 HydrophobicContact CB-CB 4.24Å; V13-Q67 HydrophobicContact CG2-CB 4.34Å; V13-Q67 PolarHBondContact N-O 3.29Å; V13-D69 HydrophobicContact CG2-CB 3.86Å
14D98.3Very high96.8Very high89 Ų8936 Ų3648%0.47620%0.204SC..SBendtrans-91.7-7.6-170.6-54.1-54000113.5C12 H66 Q67C12-D14 PolarHBondContact SG-N 3.04Å; C12-D14 VanDerWaalsContact SG-N 3.35Å; D14-H66 HydrophobicContact CB-CB 4.28Å; D14-H66 VanDerWaalsContact OD2-CA 3.22Å; D14-H66 WeakPolarHBondContact OD2-CA 3.49Å; D14-H66 IonicContact OD2-CG 3.52Å; D14-Q67 PolarHBondContact OD2-N 3.24Å
15C98Very high96.8Very high46 Ų4639.5 Ų39.531%0.31121%0.214SC..SBendtrans-159.6174.8174.672.30000112.6C12 A17C12-C15 WeakPolarHBondContact CB-O 3.42Å; C12-C15 PolarHBondContact SG-N 2.87Å; C12-C15 VanDerWaalsContact SG-SG 3.6Å; C15-A17 PolarHBondContact O-N 3.5Å; C15-A17 WeakPolarHBondContact SG-CB 3.37Å
16D97.4Very high96.8Very high158 Ų15840 Ų4085%0.84522%0.215SC*.SBendtrans-72.84.3-179.1-64.4-36.1000114.7F18D16-F18 WeakPolarHBondContact O-CD1 3.46Å
17A97.6Very high96.8Very high18 Ų1841 Ų4115%0.14922%0.22CC..  trans-67.5141.6179.800000111.5C12 C15 L101C12-A17 HydrophobicContact CB-CB 4.18Å; C12-A17 VanDerWaalsContact CB-O 3.31Å; C12-A17 WeakPolarHBondContact CB-O 3.28Å; C12-A17 PolarHBondContact N-O 3.31Å; C15-A17 PolarHBondContact O-N 3.5Å; C15-A17 WeakPolarHBondContact SG-CB 3.37Å; A17-L101 HydrophobicContact CB-CD1 4.11Å; A17-L101 HydrophobicContact CB-CD2 4.11Å; A17-L101 HydrophobicContact CB-CG 4.16Å
18F98.1Very high96.7Very high15 Ų1544 Ų447%0.06624%0.241CC..EExtended strand (participates in β ladder)trans-149.2159.2175.661.6-90.8000111.9K9 L10 D16 I20 N97 A100 L101K9-F18 HydrophobicContact CD-CB 4.43Å; K9-F18 HydrophobicContact CD-CD2 3.99Å; K9-F18 HydrophobicContact CD-CE2 4.49Å; K9-F18 HydrophobicContact CD-CG 4.23Å; K9-F18 HydrophobicContact CG-CB 4.13Å; K9-F18 HydrophobicContact CG-CD2 4.01Å; K9-F18 HydrophobicContact CG-CG 4.31Å; L10-F18 CarbonylContact O-C 3.59Å; L10-F18 VanDerWaalsContact O-CA 3.26Å; L10-F18 WeakPolarHBondContact O-CA 3.45Å; L10-F18 WeakPolarHBondContact O-CB 3.39Å; D16-F18 WeakPolarHBondContact O-CD1 3.46Å; F18-I20 HydrophobicContact CD2-CD1 4.46Å; F18-I20 HydrophobicContact CD2-CG1 4.08Å; F18-I20 HydrophobicContact CE2-CD1 4.01Å; F18-I20 HydrophobicContact CE2-CG1 4.12Å; F18-N97 HydrophobicContact CE2-CB 3.79Å; F18-N97 HydrophobicContact CZ-CB 3.83Å; F18-A100 HydrophobicContact CD2-CB 4.05Å; F18-A100 HydrophobicContact CE2-CB 3.63Å; F18-A100 HydrophobicContact CZ-CB 4.26Å; F18-A100 CarbonylContact O-C 3.56Å; F18-A100 WeakPolarHBondContact O-CA 3.36Å; F18-L101 WeakPolarHBondContact O-CB 3.47Å; F18-L101 WeakPolarHBondContact O-CG 3.26Å; F18-L101 PolarHBondContact O-N 2.91Å
19Y97.7Very high96.7Very high10 Ų1046.4 Ų46.44%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-120.7139.6176.5171.9-94.9000110Y8 K9 L10 H34 K54 A56 I57 N102Y8-Y19 HydrophobicContact CE2-CD1 4.37Å; Y8-Y19 HydrophobicContact CE2-CE1 4.39Å; K9-Y19 CarbonylContact C-O 3.5Å; K9-Y19 WeakPolarHBondContact CA-O 3.33Å; L10-Y19 PolarHBondContact N-O 3.24Å; L10-Y19 PolarHBondContact O-N 3.39Å; Y19-H34 AromaticContact CE1-CE1 3.67Å; Y19-H34 AromaticContact CE1-NE2 3.8Å; Y19-K54 PolarHBondContact OH-O 3.08Å; Y19-A56 HydrophobicContact CD2-CB 4.11Å; Y19-A56 HydrophobicContact CE2-CB 4.38Å; Y19-I57 HydrophobicContact CD1-CG2 4.47Å; Y19-I57 HydrophobicContact CG-CB 4.22Å; Y19-I57 HydrophobicContact CG-CG2 4.35Å; Y19-N102 WeakPolarHBondContact CD2-OD1 3.36Å; Y19-N102 WeakPolarHBondContact CE2-ND2 3.25Å
20I96.7Very high96.6Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-108130.5173.2-60.9-178.1000107.9V7 Y8 F18 L76 H93 I94 N97 N102V7-I20 HydrophobicContact CG1-CG2 3.83Å; Y8-I20 WeakPolarHBondContact O-CA 3.46Å; F18-I20 HydrophobicContact CD2-CD1 4.46Å; F18-I20 HydrophobicContact CD2-CG1 4.08Å; F18-I20 HydrophobicContact CE2-CD1 4.01Å; F18-I20 HydrophobicContact CE2-CG1 4.12Å; I20-L76 HydrophobicContact CD1-CD1 4.21Å; I20-L76 HydrophobicContact CG1-CD1 4.39Å; I20-L76 HydrophobicContact CG2-CD1 4.16Å; I20-H93 HydrophobicContact CD1-CB 4.05Å; I20-H93 HydrophobicContact CG2-CB 3.91Å; I20-I94 HydrophobicContact CB-CG1 3.94Å; I20-I94 HydrophobicContact CG2-CG1 4.11Å; I20-N97 HydrophobicContact CD1-CB 3.88Å; I20-N102 PolarHBondContact N-OD1 3.44Å; I20-N102 PolarHBondContact O-ND2 2.91Å; I20-N102 PolarHBondContact O-OD1 3.17Å
21G95.2Very high96.5Very high0 Ų045.5 Ų45.50%025%0.253CS..EExtended strand (participates in β ladder)trans-142.9165.1178.300000112.2V7 Y8 E90V7-G21 CarbonylContact C-O 3.56Å; V7-G21 WeakPolarHBondContact CA-O 3.37Å; Y8-G21 WeakPolarHBondContact CD1-O 3.31Å; Y8-G21 VanDerWaalsContact CE1-O 3.24Å; Y8-G21 WeakPolarHBondContact CE1-O 3.43Å; Y8-G21 PolarHBondContact N-O 2.84Å; Y8-G21 PolarHBondContact O-N 3.04Å; G21-E90 VanDerWaalsContact CA-OE1 3.26Å; G21-E90 WeakPolarHBondContact CA-OE1 3.45Å
22E95.3Very high96.4Very high37 Ų3751.8 Ų51.817%0.17327%0.274CS..EExtended strand (participates in β ladder)trans-107156.5167.463.391.7-179.600113.7C6 V7 R86 R87 E90C6-E22 CarbonylContact O-C 2.99Å; C6-E22 VanDerWaalsContact O-CA 3.3Å; C6-E22 WeakPolarHBondContact O-CA 3.47Å; V7-E22 HydrophobicContact CG2-CB 4.35Å; E22-R86 HydrophobicContact CB-CG 3.72Å; E22-R86 HydrophobicContact CG-CG 4.49Å; E22-R86 IonicContact OE2-CZ 4Å; E22-R86 VanDerWaalsContact OE2-CZ 3.27Å; E22-R86 IonicContact OE2-NE 3.66Å; E22-R86 PolarHBondContact OE2-NE 3.34Å; E22-R86 IonicContact OE2-NH2 3.27Å; E22-R86 PolarHBondContact OE2-NH2 2.85Å; E22-R87 IonicContact OE1-NH1 2.69Å; E22-E90 HydrophobicContact CB-CB 4.29Å; E22-E90 HydrophobicContact CG-CB 4.49Å; E22-E90 PolarHBondContact N-OE1 3.26Å
23S95.8Very high96.3Very high9 Ų954.1 Ų54.16%0.06328%0.284CS..EExtended strand (participates in β ladder)trans-144.8134.4165.9-154.50000111.8N5 C6 R25N5-S23 CarbonylContact C-O 3.53Å; N5-S23 WeakPolarHBondContact CA-O 3.39Å; N5-S23 PolarHBondContact N-O 3.33Å; N5-S23 VanDerWaalsContact N-O 3.13Å; C6-S23 PolarHBondContact N-O 2.89Å; C6-S23 PolarHBondContact O-N 3.06Å; S23-R25 VanDerWaalsContact C-N 3.33Å; S23-R25 PolarHBondContact OG-N 3.34Å; S23-R25 PolarHBondContact OG-O 3.09Å
24S95.9Very high96.2Very high58 Ų5849.9 Ų49.941%0.40626%0.258SS..SBendtrans-78.7-19.9161.557.30000112.9N5N5-S24 WeakPolarHBondContact OD1-CA 3.36Å
25R95Very high96.1Very high147 Ų14748.4 Ų48.456%0.55525%0.249SC*.SBendtrans-97173.1-177.6-62.2-179.1175.3-175.6-3.9110.4S23 I27S23-R25 VanDerWaalsContact C-N 3.33Å; S23-R25 PolarHBondContact OG-N 3.34Å; S23-R25 PolarHBondContact OG-O 3.09Å; R25-I27 PolarHBondContact O-N 2.93Å
26E95.2Very high96.1Very high63 Ų6354 Ų5429%0.29426%0.264SS..  trans-53.6138.8171.9-66-63.3158.300111.3T3 Q4 S28 T29 R30T3-E26 PolarHBondContact OG1-OE2 3.35Å; Q4-E26 HydrophobicContact CG-CG 3.93Å; Q4-E26 WeakPolarHBondContact CG-OE1 3.47Å; Q4-E26 PolarHBondContact NE2-OE1 3.1Å; E26-S28 PolarHBondContact O-N 3.4Å; E26-S28 VanDerWaalsContact O-N 3.15Å; E26-T29 WeakPolarHBondContact O-CA 3.05Å; E26-T29 VanDerWaalsContact O-CB 3.31Å; E26-T29 WeakPolarHBondContact O-CB 3.11Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-R30 PolarHBondContact O-N 3.06Å
27I95.1Very high96Very high21 Ų2149.9 Ų49.911%0.10824%0.237CC..Hα-helixtrans-58.8-32.8-179.2-164.158.3000112T3 Y8 R25 T29 R30 A31 I73 I75T3-I27 HydrophobicContact CG2-CG2 4.12Å; T3-I27 PolarHBondContact O-N 3.26Å; T3-I27 VanDerWaalsContact O-N 3.13Å; T3-I27 WeakPolarHBondContact OG1-CG2 3.22Å; T3-I27 PolarHBondContact OG1-N 2.87Å; Y8-I27 HydrophobicContact CD1-CD1 3.33Å; Y8-I27 HydrophobicContact CD2-CD1 3.85Å; Y8-I27 HydrophobicContact CE1-CD1 3.85Å; Y8-I27 HydrophobicContact CE2-CD1 4.31Å; Y8-I27 HydrophobicContact CG-CD1 3.36Å; R25-I27 PolarHBondContact O-N 2.93Å; I27-T29 VanDerWaalsContact C-N 3.27Å; I27-T29 PolarHBondContact O-N 3.14Å; I27-R30 HydrophobicContact CD1-CB 4.42Å; I27-R30 PolarHBondContact O-N 3.29Å; I27-R30 VanDerWaalsContact O-N 3.13Å; I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.46Å; I27-I73 HydrophobicContact CD1-CG2 3.97Å; I27-I73 HydrophobicContact CG1-CB 4.25Å; I27-I73 HydrophobicContact CG1-CD1 4.01Å; I27-I73 HydrophobicContact CG1-CG2 3.73Å; I27-I75 HydrophobicContact CB-CD1 4.47Å; I27-I75 HydrophobicContact CD1-CD1 4.5Å; I27-I75 HydrophobicContact CG1-CD1 4.23Å
28S94.6Very high95.9Very high62 Ų6250.5 Ų50.543%0.43424%0.239SC..Hα-helixtrans-61.1-34.6175.363.60000112.5E26 K32E26-S28 PolarHBondContact O-N 3.4Å; E26-S28 VanDerWaalsContact O-N 3.15Å; S28-K32 WeakPolarHBondContact O-CG 3.44Å; S28-K32 PolarHBondContact O-N 3.18Å; S28-K32 VanDerWaalsContact O-N 3.09Å
29T95.7Very high95.8Very high51 Ų5157.4 Ų57.431%0.31327%0.269SS..Hα-helixtrans-70.3-41.9175.1-61.40000110.5E26 I27 K32 Q33E26-T29 WeakPolarHBondContact O-CA 3.05Å; E26-T29 VanDerWaalsContact O-CB 3.31Å; E26-T29 WeakPolarHBondContact O-CB 3.11Å; E26-T29 PolarHBondContact O-N 3.43Å; I27-T29 VanDerWaalsContact C-N 3.27Å; I27-T29 PolarHBondContact O-N 3.14Å; T29-K32 PolarHBondContact O-N 3.45Å; T29-Q33 WeakPolarHBondContact O-CG 3.43Å; T29-Q33 PolarHBondContact O-N 3.27Å; T29-Q33 VanDerWaalsContact O-N 3.13Å
30R95.7Very high95.6Very high37 Ų3761.4 Ų61.414%0.1429%0.287CS..Hα-helixtrans-66.6-38.6177-17557.4179.2-163.2-1.1111.9Y8 E26 I27 Q33 H34 W55Y8-R30 HydrophobicContact CE1-CG 3.8Å; Y8-R30 HydrophobicContact CE2-CG 4.48Å; Y8-R30 WeakPolarHBondContact OH-CG 3.26Å; Y8-R30 PolarHBondContact OH-NE 3.46Å; E26-R30 PolarHBondContact O-N 3.06Å; I27-R30 HydrophobicContact CD1-CB 4.42Å; I27-R30 PolarHBondContact O-N 3.29Å; I27-R30 VanDerWaalsContact O-N 3.13Å; R30-Q33 WeakPolarHBondContact O-CB 3Å; R30-Q33 PolarHBondContact O-N 2.54Å; R30-H34 PolarHBondContact NE-NE2 3.01Å; R30-H34 PolarHBondContact O-CD2 2.9Å; R30-H34 PolarHBondContact O-N 3.18Å; R30-W55 VanDerWaalsContact NH1-CZ3 3.26Å
31A95.9Very high95.5Very high11 Ų1165.1 Ų65.19%0.09131%0.311CS..Hα-helixtrans-60.1-47.6173.600000111.7I27 Q33 H34 I35 F70 I73I27-A31 WeakPolarHBondContact O-CB 3.36Å; I27-A31 PolarHBondContact O-N 3.46Å; A31-Q33 PolarHBondContact O-N 2.98Å; A31-H34 PolarHBondContact O-N 3.17Å; A31-H34 VanDerWaalsContact O-N 3.14Å; A31-I35 WeakPolarHBondContact O-CG1 3.49Å; A31-I35 PolarHBondContact O-N 3.02Å; A31-F70 HydrophobicContact CB-CD1 4.08Å; A31-I73 HydrophobicContact CB-CD1 3.7Å
32K96Very high95.5Very high151 Ų15166.4 Ų66.466%0.65732%0.319SS*.Hα-helixtrans-57.5-36.6174.7-73.7173-177.8178.60112.6S28 T29 R36S28-K32 WeakPolarHBondContact O-CG 3.44Å; S28-K32 PolarHBondContact O-N 3.18Å; S28-K32 VanDerWaalsContact O-N 3.09Å; T29-K32 PolarHBondContact O-N 3.45Å; K32-R36 PolarHBondContact O-N 3.22Å
33Q95.6Very high95.5Very high64 Ų6470.9 Ų70.930%0.29934%0.344SS..Hα-helixtrans-64.5-49.7174.5-71.6-179.7-24.500111.6T29 R30 A31 I35 R36 Y37 W55T29-Q33 WeakPolarHBondContact O-CG 3.43Å; T29-Q33 PolarHBondContact O-N 3.27Å; T29-Q33 VanDerWaalsContact O-N 3.13Å; R30-Q33 WeakPolarHBondContact O-CB 3Å; R30-Q33 PolarHBondContact O-N 2.54Å; A31-Q33 PolarHBondContact O-N 2.98Å; Q33-I35 PolarHBondContact O-N 3.44Å; Q33-R36 WeakPolarHBondContact O-CB 3.29Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact O-N 3.1Å; Q33-Y37 VanDerWaalsContact O-CD2 3.29Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.31Å; Q33-Y37 PolarHBondContact O-N 3.25Å; Q33-Y37 VanDerWaalsContact O-N 3.17Å; Q33-W55 HydrophobicContact CB-CH2 3.95Å; Q33-W55 HydrophobicContact CB-CZ3 3.94Å
34H96.2Very high95.6Very high1 Ų173.7 Ų73.71%0.00536%0.358CS..Hα-helixtrans-56-48.1175.9-78.3-65.6000111.6Y8 L10 Y19 R30 A31 R36 Y37 T38 W55 I57 F70Y8-H34 AromaticContact CZ-NE2 3.97Å; Y8-H34 PolarHBondContact OH-NE2 2.82Å; Y8-H34 VanDerWaalsContact OH-NE2 3.08Å; L10-H34 HydrophobicContact CD2-CB 4.5Å; Y19-H34 AromaticContact CE1-CE1 3.67Å; Y19-H34 AromaticContact CE1-NE2 3.8Å; R30-H34 PolarHBondContact NE-NE2 3.01Å; R30-H34 PolarHBondContact O-CD2 2.9Å; R30-H34 PolarHBondContact O-N 3.18Å; A31-H34 PolarHBondContact O-N 3.17Å; A31-H34 VanDerWaalsContact O-N 3.14Å; H34-R36 VanDerWaalsContact C-N 3.25Å; H34-R36 PolarHBondContact O-N 3.49Å; H34-Y37 PolarHBondContact O-N 3Å; H34-T38 WeakPolarHBondContact O-CG2 3.36Å; H34-T38 PolarHBondContact O-N 3.44Å; H34-W55 AromaticContact CE1-CE3 3.64Å; H34-W55 AromaticContact ND1-CE3 3.47Å; H34-I57 WeakPolarHBondContact ND1-CG2 3.48Å; H34-F70 HydrophobicContact CB-CE1 3.68Å; H34-F70 HydrophobicContact CB-CZ 4.08Å
35I96.5Very high95.6Very high57 Ų5776.1 Ų76.129%0.29237%0.373SS..Hα-helixtrans-56.3-38.3175.9-66.4165000111.9A31 Q33 Y37 T38 F70A31-I35 WeakPolarHBondContact O-CG1 3.49Å; A31-I35 PolarHBondContact O-N 3.02Å; Q33-I35 PolarHBondContact O-N 3.44Å; I35-Y37 VanDerWaalsContact C-N 3.3Å; I35-Y37 PolarHBondContact O-N 3.44Å; I35-T38 PolarHBondContact O-N 2.84Å; I35-T38 PolarHBondContact O-OG1 3.07Å; I35-F70 HydrophobicContact CD1-CD1 4.27Å; I35-F70 HydrophobicContact CD1-CD2 4.08Å; I35-F70 HydrophobicContact CD1-CE2 4.33Å; I35-F70 HydrophobicContact CD1-CG 4.04Å; I35-F70 HydrophobicContact CG1-CD1 4.03Å; I35-F70 HydrophobicContact CG1-CD2 3.73Å; I35-F70 HydrophobicContact CG1-CE1 3.81Å; I35-F70 HydrophobicContact CG1-CE2 3.47Å; I35-F70 VanDerWaalsContact CG1-CE2 3.47Å; I35-F70 HydrophobicContact CG1-CG 3.99Å; I35-F70 HydrophobicContact CG1-CZ 3.52Å
36R96.9Very high95.6Very high163 Ų16374.5 Ų74.562%0.61538%0.379SS*.Hα-helixtrans-66-35.5177.3-173.3-179.9-175.9-166.81111.8K32 Q33 H34 K40K32-R36 PolarHBondContact O-N 3.22Å; Q33-R36 WeakPolarHBondContact O-CB 3.29Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact O-N 3.1Å; H34-R36 VanDerWaalsContact C-N 3.25Å; H34-R36 PolarHBondContact O-N 3.49Å; R36-K40 WeakPolarHBondContact O-CG 3.31Å
37Y96Very high95.6Very high73 Ų7375.4 Ų75.429%0.28638%0.383SS..Hα-helixtrans-78.9-25.6179.4-80.5-75.8000113.1Q33 H34 I35 K39 K40 L51 W55 I62Q33-Y37 VanDerWaalsContact O-CD2 3.29Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.31Å; Q33-Y37 PolarHBondContact O-N 3.25Å; Q33-Y37 VanDerWaalsContact O-N 3.17Å; H34-Y37 PolarHBondContact O-N 3Å; I35-Y37 VanDerWaalsContact C-N 3.3Å; I35-Y37 PolarHBondContact O-N 3.44Å; Y37-K39 PolarHBondContact O-N 2.88Å; Y37-K40 PolarHBondContact O-N 3.02Å; Y37-L51 HydrophobicContact CD1-CD1 3.96Å; Y37-L51 HydrophobicContact CG-CD1 4.38Å; Y37-W55 AromaticContact CD1-CD1 3.84Å; Y37-W55 HydrophobicContact CD1-CG 4.34Å; Y37-W55 AromaticContact CD2-CD1 3.91Å; Y37-W55 AromaticContact CD2-CD2 3.61Å; Y37-W55 HydrophobicContact CD2-CD2 3.61Å; Y37-W55 AromaticContact CD2-CE2 3.52Å; Y37-W55 HydrophobicContact CD2-CE3 4.09Å; Y37-W55 AromaticContact CD2-CG 3.89Å; Y37-W55 HydrophobicContact CD2-CG 3.89Å; Y37-W55 HydrophobicContact CD2-CH2 4.37Å; Y37-W55 AromaticContact CD2-CZ2 3.95Å; Y37-W55 HydrophobicContact CD2-CZ2 3.95Å; Y37-W55 HydrophobicContact CD2-CZ3 4.42Å; Y37-W55 AromaticContact CD2-NE1 3.69Å; Y37-W55 AromaticContact CE1-CD1 3.91Å; Y37-W55 AromaticContact CE1-NE1 3.71Å; Y37-W55 AromaticContact CE2-CD2 3.88Å; Y37-W55 HydrophobicContact CE2-CD2 3.88Å; Y37-W55 AromaticContact CE2-CE2 3.25Å; Y37-W55 HydrophobicContact CE2-CG 4.33Å; Y37-W55 HydrophobicContact CE2-CH2 4.09Å; Y37-W55 AromaticContact CE2-CZ2 3.4Å; Y37-W55 HydrophobicContact CE2-CZ2 3.4Å; Y37-W55 AromaticContact CE2-NE1 3.33Å; Y37-W55 VanDerWaalsContact CE2-NE1 3.33Å; Y37-W55 HydrophobicContact CG-CB 4.46Å; Y37-W55 AromaticContact CG-CD1 3.84Å; Y37-W55 HydrophobicContact CG-CD2 4.13Å; Y37-W55 AromaticContact CG-CG 3.91Å; Y37-W55 HydrophobicContact CG-CG 3.91Å; Y37-W55 AromaticContact CZ-CD1 3.98Å; Y37-W55 AromaticContact CZ-CE2 3.76Å; Y37-W55 AromaticContact CZ-NE1 3.33Å; Y37-W55 VanDerWaalsContact CZ-NE1 3.33Å; Y37-I62 WeakPolarHBondContact O-CD1 3.4Å
38T95.6Very high95.6Very high30 Ų3076.8 Ų76.818%0.18439%0.391CS..Hα-helixtrans-65.1-24.8172.769.40000112.7H34 I35 K40 A58 T61 I62 F70H34-T38 WeakPolarHBondContact O-CG2 3.36Å; H34-T38 PolarHBondContact O-N 3.44Å; I35-T38 PolarHBondContact O-N 2.84Å; I35-T38 PolarHBondContact O-OG1 3.07Å; T38-K40 VanDerWaalsContact C-N 3.32Å; T38-A58 HydrophobicContact CG2-CB 3.99Å; T38-T61 HydrophobicContact CG2-CG2 4.02Å; T38-I62 VanDerWaalsContact O-CG1 3.28Å; T38-I62 WeakPolarHBondContact O-CG1 3.15Å; T38-F70 HydrophobicContact CG2-CZ 4.48Å
39K95.4Very high95.6Very high161 Ų16176.8 Ų76.870%0.739%0.386SS*.THydrogen-bonded Turntrans-90.39178-59-179-178-1720113.6Y37Y37-K39 PolarHBondContact O-N 2.88Å
40K93.6Very high95.4Very high94 Ų9482.1 Ų82.141%0.40940%0.4SS..  trans-126.381.7-174.7-72.4-176.4173.2-161.40110R36 Y37 T38R36-K40 WeakPolarHBondContact O-CG 3.31Å; Y37-K40 PolarHBondContact O-N 3.02Å; T38-K40 VanDerWaalsContact C-N 3.32Å
41P93.7Very high95.4Very high77 Ų7780.8 Ų80.850%0.540%0.396SS..  trans-59.1139.4172.826.1-33000109.8N43 I62P41-N43 PolarHBondContact O-ND2 3.02Å; P41-I62 HydrophobicContact CB-CG2 4.39Å
42P95.6Very high95.3Very high28 Ų2884.3 Ų84.318%0.18241%0.411CS..  trans-70.7139.5176.529.6-32.2000110.2E47 L48 L51 F63P42-E47 HydrophobicContact CB-CB 3.74Å; P42-L48 HydrophobicContact CB-CB 3.95Å; P42-L48 HydrophobicContact CG-CB 4.03Å; P42-L48 HydrophobicContact CG-CD1 3.98Å; P42-L51 HydrophobicContact CG-CD2 4.28Å; P42-F63 HydrophobicContact CG-CE2 4.47Å; P42-F63 HydrophobicContact CG-CZ 3.88Å
43N96Very high95Very high131 Ų13182.1 Ų82.170%0.70140%0.404SS*.SBendtrans-101.2-6.1-177.2-56.8-76.8000113.4P41 E47P41-N43 PolarHBondContact O-ND2 3.02Å; N43-E47 PolarHBondContact N-OE2 2.76Å; N43-E47 PolarHBondContact ND2-OE2 2.85Å
44N97.2Very high94.7Very high67 Ų6784.8 Ų84.836%0.35841%0.414SS..SBendtrans-157166-179.658.366.1000110.1V46 E47 L48N44-V46 VanDerWaalsContact C-N 3.26Å; N44-V46 PolarHBondContact O-N 2.83Å; N44-V46 WeakPolarHBondContact OD1-CB 3.48Å; N44-V46 PolarHBondContact OD1-N 3Å; N44-V46 VanDerWaalsContact OD1-N 3.13Å; N44-E47 PolarHBondContact ND2-OE1 3.27Å; N44-E47 PolarHBondContact O-N 3.45Å; N44-E47 PolarHBondContact OD1-N 2.74Å; N44-L48 PolarHBondContact O-N 3.24Å; N44-L48 VanDerWaalsContact O-N 3.1Å
45P95.8Very high94.7Very high109 Ų10985.7 Ų85.771%0.70842%0.418SS*.Hα-helixtrans-59.1-31.2-179.2-27.936.7000114.8L48 D49P45-L48 PolarHBondContact O-N 3.13Å; P45-D49 WeakPolarHBondContact O-CB 3.21Å; P45-D49 PolarHBondContact O-N 3.06Å
46V95.9Very high94.6Very high114 Ų11483.4 Ų83.469%0.69141%0.408SS*.Hα-helixtrans-70-40.7179.6178.80000111.3N44 L48 R50N44-V46 VanDerWaalsContact C-N 3.26Å; N44-V46 PolarHBondContact O-N 2.83Å; N44-V46 WeakPolarHBondContact OD1-CB 3.48Å; N44-V46 PolarHBondContact OD1-N 3Å; N44-V46 VanDerWaalsContact OD1-N 3.13Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-R50 WeakPolarHBondContact O-CB 3.23Å; V46-R50 PolarHBondContact O-N 2.87Å; V46-R50 VanDerWaalsContact O-N 3.09Å
47E95.7Very high94.6Very high81 Ų8175.7 Ų75.738%0.37938%0.379SS..Hα-helixtrans-65.6-39.6173.5-75.7177.5-160.600111.9P42 N43 N44 R50 L51P42-E47 HydrophobicContact CB-CB 3.74Å; N43-E47 PolarHBondContact N-OE2 2.76Å; N43-E47 PolarHBondContact ND2-OE2 2.85Å; N44-E47 PolarHBondContact ND2-OE1 3.27Å; N44-E47 PolarHBondContact O-N 3.45Å; N44-E47 PolarHBondContact OD1-N 2.74Å; E47-R50 PolarHBondContact O-N 3.15Å; E47-L51 VanDerWaalsContact O-CB 3.28Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.33Å
48L94.8Very high94.7Very high50 Ų5072.2 Ų72.226%0.26237%0.365SS..Hα-helixtrans-61.8-50.4176.3174.458.3000111.2P42 N44 P45 V46 R50 L51 Q52 F63P42-L48 HydrophobicContact CB-CB 3.95Å; P42-L48 HydrophobicContact CG-CB 4.03Å; P42-L48 HydrophobicContact CG-CD1 3.98Å; N44-L48 PolarHBondContact O-N 3.24Å; N44-L48 VanDerWaalsContact O-N 3.1Å; P45-L48 PolarHBondContact O-N 3.13Å; V46-L48 VanDerWaalsContact C-N 3.35Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.13Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.48Å; L48-L51 VanDerWaalsContact O-N 3.16Å; L48-Q52 HydrophobicContact CD1-CG 4Å; L48-Q52 WeakPolarHBondContact O-CG 3.26Å; L48-Q52 PolarHBondContact O-N 2.87Å; L48-F63 HydrophobicContact CD1-CE2 3.43Å; L48-F63 VanDerWaalsContact CD1-CE2 3.43Å; L48-F63 HydrophobicContact CD1-CZ 3.59Å
49D93.8Very high94.7Very high63 Ų6371 Ų7134%0.33736%0.358SS..Hα-helixtrans-57.3-47.4178.2-179.976.5000110.8P45 L51 Q52 M53 R103P45-D49 WeakPolarHBondContact O-CB 3.21Å; P45-D49 PolarHBondContact O-N 3.06Å; D49-L51 VanDerWaalsContact C-N 3.33Å; D49-L51 PolarHBondContact O-N 3.13Å; D49-Q52 PolarHBondContact O-N 3.48Å; D49-M53 WeakPolarHBondContact O-CB 3.24Å; D49-M53 VanDerWaalsContact O-CG 3.28Å; D49-M53 WeakPolarHBondContact O-CG 3.06Å; D49-M53 PolarHBondContact O-N 3.21Å; D49-R103 IonicContact OD1-CZ 3.67Å; D49-R103 IonicContact OD1-NH1 3.92Å; D49-R103 PolarHBondContact OD1-NH1 3.09Å; D49-R103 IonicContact OD1-NH2 2.69Å; D49-R103 IonicContact OD2-NH1 3.26Å
50R92.5Very high94.8Very high162 Ų16264.4 Ų64.461%0.61133%0.33SS*.Hα-helixtrans-61.4-40177.4-166.9-175.7-154.5-169.17.1112.9V46 E47 L48 K54V46-R50 WeakPolarHBondContact O-CB 3.23Å; V46-R50 PolarHBondContact O-N 2.87Å; V46-R50 VanDerWaalsContact O-N 3.09Å; E47-R50 PolarHBondContact O-N 3.15Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.13Å; R50-K54 PolarHBondContact O-N 3.35Å; R50-K54 VanDerWaalsContact O-N 3.16Å
51L94.6Very high95Very high9 Ų961 Ų615%0.04732%0.317CS..Hα-helixtrans-65.1-48.3177.9-174.772.6000110.2Y37 P42 E47 L48 D49 M53 W55 A56 A58 A59 I62Y37-L51 HydrophobicContact CD1-CD1 3.96Å; Y37-L51 HydrophobicContact CG-CD1 4.38Å; P42-L51 HydrophobicContact CG-CD2 4.28Å; E47-L51 VanDerWaalsContact O-CB 3.28Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.33Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.48Å; L48-L51 VanDerWaalsContact O-N 3.16Å; D49-L51 VanDerWaalsContact C-N 3.33Å; D49-L51 PolarHBondContact O-N 3.13Å; L51-M53 PolarHBondContact O-N 3.27Å; L51-W55 HydrophobicContact CD1-CB 4.02Å; L51-W55 CarbonylContact O-C 3.41Å; L51-W55 WeakPolarHBondContact O-CA 3.34Å; L51-W55 WeakPolarHBondContact O-CB 3.22Å; L51-W55 PolarHBondContact O-N 2.77Å; L51-A56 PolarHBondContact O-N 3.41Å; L51-A58 HydrophobicContact CD1-CB 4.11Å; L51-A59 HydrophobicContact CD2-CB 3.87Å; L51-A59 HydrophobicContact CG-CB 4.02Å; L51-I62 HydrophobicContact CD2-CD1 3.89Å
52Q93.2Very high95.1Very high86 Ų8659.4 Ų59.440%0.40230%0.304SS..Hα-helixtrans-62.6-40177.4-72175.1-32.600112.2L48 D49 A56 A59L48-Q52 HydrophobicContact CD1-CG 4Å; L48-Q52 WeakPolarHBondContact O-CG 3.26Å; L48-Q52 PolarHBondContact O-N 2.87Å; D49-Q52 PolarHBondContact O-N 3.48Å; Q52-A56 WeakPolarHBondContact O-CB 3.38Å; Q52-A59 HydrophobicContact CG-CB 3.97Å
53M90.7Very high95.1Very high104 Ų10463.8 Ų63.851%0.51232%0.32SS..Hα-helixtrans-66.1-45.8179.5-74.9-170.684.600113.5D49 L51D49-M53 WeakPolarHBondContact O-CB 3.24Å; D49-M53 VanDerWaalsContact O-CG 3.28Å; D49-M53 WeakPolarHBondContact O-CG 3.06Å; D49-M53 PolarHBondContact O-N 3.21Å; L51-M53 PolarHBondContact O-N 3.27Å
54K90Very high95.2Very high120 Ų12061.5 Ų61.552%0.52231%0.308SS..Hα-helixtrans-101.4-26.6-170.7-70-169.9176.9-170.80114.2Y19 R50Y19-K54 PolarHBondContact OH-O 3.08Å; R50-K54 PolarHBondContact O-N 3.35Å; R50-K54 VanDerWaalsContact O-N 3.16Å
55W94.5Very high95.2Very high20 Ų2064.8 Ų64.88%0.07633%0.326CS..Hα-helixtrans-139.744.2-167.6-44.1106.5000109.5R30 Q33 H34 Y37 L51 I57 A58 A59R30-W55 VanDerWaalsContact NH1-CZ3 3.26Å; Q33-W55 HydrophobicContact CB-CH2 3.95Å; Q33-W55 HydrophobicContact CB-CZ3 3.94Å; H34-W55 AromaticContact CE1-CE3 3.64Å; H34-W55 AromaticContact ND1-CE3 3.47Å; Y37-W55 AromaticContact CD1-CD1 3.84Å; Y37-W55 HydrophobicContact CD1-CG 4.34Å; Y37-W55 AromaticContact CD2-CD1 3.91Å; Y37-W55 AromaticContact CD2-CD2 3.61Å; Y37-W55 HydrophobicContact CD2-CD2 3.61Å; Y37-W55 AromaticContact CD2-CE2 3.52Å; Y37-W55 HydrophobicContact CD2-CE3 4.09Å; Y37-W55 AromaticContact CD2-CG 3.89Å; Y37-W55 HydrophobicContact CD2-CG 3.89Å; Y37-W55 HydrophobicContact CD2-CH2 4.37Å; Y37-W55 AromaticContact CD2-CZ2 3.95Å; Y37-W55 HydrophobicContact CD2-CZ2 3.95Å; Y37-W55 HydrophobicContact CD2-CZ3 4.42Å; Y37-W55 AromaticContact CD2-NE1 3.69Å; Y37-W55 AromaticContact CE1-CD1 3.91Å; Y37-W55 AromaticContact CE1-NE1 3.71Å; Y37-W55 AromaticContact CE2-CD2 3.88Å; Y37-W55 HydrophobicContact CE2-CD2 3.88Å; Y37-W55 AromaticContact CE2-CE2 3.25Å; Y37-W55 HydrophobicContact CE2-CG 4.33Å; Y37-W55 HydrophobicContact CE2-CH2 4.09Å; Y37-W55 AromaticContact CE2-CZ2 3.4Å; Y37-W55 HydrophobicContact CE2-CZ2 3.4Å; Y37-W55 AromaticContact CE2-NE1 3.33Å; Y37-W55 VanDerWaalsContact CE2-NE1 3.33Å; Y37-W55 HydrophobicContact CG-CB 4.46Å; Y37-W55 AromaticContact CG-CD1 3.84Å; Y37-W55 HydrophobicContact CG-CD2 4.13Å; Y37-W55 AromaticContact CG-CG 3.91Å; Y37-W55 HydrophobicContact CG-CG 3.91Å; Y37-W55 AromaticContact CZ-CD1 3.98Å; Y37-W55 AromaticContact CZ-CE2 3.76Å; Y37-W55 AromaticContact CZ-NE1 3.33Å; Y37-W55 VanDerWaalsContact CZ-NE1 3.33Å; L51-W55 HydrophobicContact CD1-CB 4.02Å; L51-W55 CarbonylContact O-C 3.41Å; L51-W55 WeakPolarHBondContact O-CA 3.34Å; L51-W55 WeakPolarHBondContact O-CB 3.22Å; L51-W55 PolarHBondContact O-N 2.77Å; W55-I57 PolarHBondContact O-N 3.46Å; W55-A58 HydrophobicContact CB-CB 4Å; W55-A58 WeakPolarHBondContact O-CA 3.27Å; W55-A58 VanDerWaalsContact O-CB 3.31Å; W55-A58 WeakPolarHBondContact O-CB 3.35Å; W55-A58 PolarHBondContact O-N 2.83Å; W55-A59 PolarHBondContact O-N 3.03Å; W55-A59 VanDerWaalsContact O-N 3.17Å
56A96Very high95.3Very high10 Ų1061.7 Ų61.78%0.08330%0.301CS..Hα-helixtrans-49.9-36.1-176.100000113.2Y19 L51 Q52 A58 A59 H60 L101Y19-A56 HydrophobicContact CD2-CB 4.11Å; Y19-A56 HydrophobicContact CE2-CB 4.38Å; L51-A56 PolarHBondContact O-N 3.41Å; Q52-A56 WeakPolarHBondContact O-CB 3.38Å; A56-A58 VanDerWaalsContact C-N 3.33Å; A56-A58 PolarHBondContact O-N 3.29Å; A56-A59 WeakPolarHBondContact O-CB 3.46Å; A56-A59 PolarHBondContact O-N 2.8Å; A56-H60 PolarHBondContact O-N 2.96Å; A56-L101 HydrophobicContact CB-CB 4.01Å; A56-L101 WeakPolarHBondContact CB-O 3.33Å
57I96.7Very high95.3Very high1 Ų161.8 Ų61.81%0.00529%0.294CS..Hα-helixtrans-65.8-32.3175.6-163.2146.5000113.6L10 Y19 H34 W55 H60 T61 I68 L101L10-I57 HydrophobicContact CB-CD1 3.86Å; L10-I57 HydrophobicContact CD2-CD1 3.8Å; L10-I57 HydrophobicContact CD2-CG1 4.45Å; L10-I57 HydrophobicContact CD2-CG2 4.1Å; L10-I57 HydrophobicContact CG-CD1 3.58Å; L10-I57 VanDerWaalsContact O-CD1 3.25Å; L10-I57 WeakPolarHBondContact O-CD1 3.39Å; Y19-I57 HydrophobicContact CD1-CG2 4.47Å; Y19-I57 HydrophobicContact CG-CB 4.22Å; Y19-I57 HydrophobicContact CG-CG2 4.35Å; H34-I57 WeakPolarHBondContact ND1-CG2 3.48Å; W55-I57 PolarHBondContact O-N 3.46Å; I57-H60 WeakPolarHBondContact O-CB 3.49Å; I57-H60 PolarHBondContact O-N 3.17Å; I57-T61 PolarHBondContact O-N 3.3Å; I57-T61 PolarHBondContact O-OG1 3.24Å; I57-I68 HydrophobicContact CD1-CD1 3.9Å; I57-I68 HydrophobicContact CD1-CG1 4.46Å; I57-I68 HydrophobicContact CD1-CG2 3.94Å; I57-I68 HydrophobicContact CG1-CD1 3.41Å; I57-I68 VanDerWaalsContact CG1-CD1 3.41Å; I57-I68 HydrophobicContact CG1-CG1 3.91Å; I57-I68 HydrophobicContact CG1-CG2 4.19Å; I57-L101 HydrophobicContact CB-CD1 4.3Å; I57-L101 HydrophobicContact CG1-CD1 4.3Å
58A96.6Very high95.4Very high0 Ų058.7 Ų58.70%028%0.28CS..Hα-helixtrans-72-40.3173.400000111.7T38 L51 W55 A56 H60 T61 I62T38-A58 HydrophobicContact CG2-CB 3.99Å; L51-A58 HydrophobicContact CD1-CB 4.11Å; W55-A58 HydrophobicContact CB-CB 4Å; W55-A58 WeakPolarHBondContact O-CA 3.27Å; W55-A58 VanDerWaalsContact O-CB 3.31Å; W55-A58 WeakPolarHBondContact O-CB 3.35Å; W55-A58 PolarHBondContact O-N 2.83Å; A56-A58 VanDerWaalsContact C-N 3.33Å; A56-A58 PolarHBondContact O-N 3.29Å; A58-H60 VanDerWaalsContact C-N 3.31Å; A58-H60 PolarHBondContact O-N 2.81Å; A58-T61 PolarHBondContact O-N 2.94Å; A58-I62 WeakPolarHBondContact O-CD1 3.47Å; A58-I62 WeakPolarHBondContact O-CG1 3.44Å; A58-I62 PolarHBondContact O-N 3.13Å
59A96.3Very high95.5Very high5 Ų558.3 Ų58.34%0.04128%0.279CS..Hα-helixtrans-58.3-45.617000000110.8L51 Q52 W55 A56 T61 I62 F63L51-A59 HydrophobicContact CD2-CB 3.87Å; L51-A59 HydrophobicContact CG-CB 4.02Å; Q52-A59 HydrophobicContact CG-CB 3.97Å; W55-A59 PolarHBondContact O-N 3.03Å; W55-A59 VanDerWaalsContact O-N 3.17Å; A56-A59 WeakPolarHBondContact O-CB 3.46Å; A56-A59 PolarHBondContact O-N 2.8Å; A59-T61 PolarHBondContact O-N 2.88Å; A59-I62 PolarHBondContact O-N 3.24Å; A59-F63 HydrophobicContact CB-CD2 4.31Å; A59-F63 HydrophobicContact CB-CE2 4.32Å; A59-F63 WeakPolarHBondContact O-CD2 3.43Å; A59-F63 PolarHBondContact O-N 2.76Å
60H97.3Very high95.6Very high21 Ų2158 Ų5810%0.09727%0.274CS..Hα-helixtrans-55.9-49.3176176.571.8000112.2C12 A56 I57 A58 I62 N64 H66 L101C12-H60 PolarHBondContact SG-NE2 2.97Å; C12-H60 VanDerWaalsContact SG-NE2 3.44Å; A56-H60 PolarHBondContact O-N 2.96Å; I57-H60 WeakPolarHBondContact O-CB 3.49Å; I57-H60 PolarHBondContact O-N 3.17Å; A58-H60 VanDerWaalsContact C-N 3.31Å; A58-H60 PolarHBondContact O-N 2.81Å; H60-I62 PolarHBondContact O-N 3.1Å; H60-N64 PolarHBondContact ND1-ND2 3.3Å; H60-N64 WeakPolarHBondContact O-CB 3.28Å; H60-N64 PolarHBondContact O-N 3.01Å; H60-N64 PolarHBondContact O-ND2 3.19Å; H60-H66 AromaticContact CE1-ND1 3.34Å; H60-H66 PolarHBondContact CE1-ND1 3.37Å; H60-H66 VanDerWaalsContact CE1-ND1 3.34Å; H60-H66 AromaticContact NE2-CG 3.79Å; H60-H66 AromaticContact NE2-ND1 3.04Å; H60-H66 PolarHBondContact NE2-ND1 3.16Å; H60-L101 HydrophobicContact CB-CD1 3.74Å; H60-L101 HydrophobicContact CB-CD2 4.37Å
61T97.3Very high95.7Very high22 Ų2259.6 Ų59.614%0.13529%0.285CS..Hα-helixtrans-55.1-49.5174.4-69.10000112.6T38 I57 A58 A59 N65 H66 I68T38-T61 HydrophobicContact CG2-CG2 4.02Å; I57-T61 PolarHBondContact O-N 3.3Å; I57-T61 PolarHBondContact O-OG1 3.24Å; A58-T61 PolarHBondContact O-N 2.94Å; A59-T61 PolarHBondContact O-N 2.88Å; T61-N65 VanDerWaalsContact O-CA 3.29Å; T61-N65 WeakPolarHBondContact O-CA 3.28Å; T61-N65 PolarHBondContact O-N 3.25Å; T61-H66 VanDerWaalsContact CG2-O 3.24Å; T61-H66 WeakPolarHBondContact CG2-O 3.16Å; T61-H66 PolarHBondContact O-N 2.91Å; T61-H66 PolarHBondContact OG1-O 2.81Å; T61-I68 WeakPolarHBondContact OG1-CD1 3.43Å; T61-I68 WeakPolarHBondContact OG1-CG1 3.45Å
62I96.7Very high95.8Very high45 Ų4564.7 Ų64.723%0.23131%0.313CS..Hα-helixtrans-63.5-46.4-175-72.9160.2000111.4Y37 T38 P41 L51 A58 A59 H60Y37-I62 WeakPolarHBondContact O-CD1 3.4Å; T38-I62 VanDerWaalsContact O-CG1 3.28Å; T38-I62 WeakPolarHBondContact O-CG1 3.15Å; P41-I62 HydrophobicContact CB-CG2 4.39Å; L51-I62 HydrophobicContact CD2-CD1 3.89Å; A58-I62 WeakPolarHBondContact O-CD1 3.47Å; A58-I62 WeakPolarHBondContact O-CG1 3.44Å; A58-I62 PolarHBondContact O-N 3.13Å; A59-I62 PolarHBondContact O-N 3.24Å; H60-I62 PolarHBondContact O-N 3.1Å
63F96.4Very high95.9Very high120 Ų12062.1 Ų62.153%0.52630%0.302SS..Hα-helixtrans-84.8-21.3-172.1-67.7-63.9000114.5P42 L48 A59P42-F63 HydrophobicContact CG-CE2 4.47Å; P42-F63 HydrophobicContact CG-CZ 3.88Å; L48-F63 HydrophobicContact CD1-CE2 3.43Å; L48-F63 VanDerWaalsContact CD1-CE2 3.43Å; L48-F63 HydrophobicContact CD1-CZ 3.59Å; A59-F63 HydrophobicContact CB-CD2 4.31Å; A59-F63 HydrophobicContact CB-CE2 4.32Å; A59-F63 WeakPolarHBondContact O-CD2 3.43Å; A59-F63 PolarHBondContact O-N 2.76Å
64N97.2Very high96.2Very high82 Ų8263.6 Ų63.644%0.43931%0.305SS..Hα-helixtrans-108.2-4.8-179.3-56.5-87.4000112.6H60 H66H60-N64 PolarHBondContact ND1-ND2 3.3Å; H60-N64 WeakPolarHBondContact O-CB 3.28Å; H60-N64 PolarHBondContact O-N 3.01Å; H60-N64 PolarHBondContact O-ND2 3.19Å; N64-H66 HydrophobicContact CB-CB 4.38Å; N64-H66 PolarHBondContact O-CD2 3.13Å; N64-H66 PolarHBondContact O-N 2.89Å
65N96.9Very high96.5Very high137 Ų13760.7 Ų60.773%0.73330%0.295SS*.THydrogen-bonded Turntrans55.435.4-172.2-16845.6000113T61T61-N65 VanDerWaalsContact O-CA 3.29Å; T61-N65 WeakPolarHBondContact O-CA 3.28Å; T61-N65 PolarHBondContact O-N 3.25Å
66H97.7Very high96.5Very high43 Ų4362 Ų6220%0.19930%0.303CS..  trans-96.3147.1-177.5-72.7-174.2000113.1D14 H60 T61 N64D14-H66 HydrophobicContact CB-CB 4.28Å; D14-H66 VanDerWaalsContact OD2-CA 3.22Å; D14-H66 WeakPolarHBondContact OD2-CA 3.49Å; D14-H66 IonicContact OD2-CG 3.52Å; H60-H66 AromaticContact CE1-ND1 3.34Å; H60-H66 PolarHBondContact CE1-ND1 3.37Å; H60-H66 VanDerWaalsContact CE1-ND1 3.34Å; H60-H66 AromaticContact NE2-CG 3.79Å; H60-H66 AromaticContact NE2-ND1 3.04Å; H60-H66 PolarHBondContact NE2-ND1 3.16Å; T61-H66 VanDerWaalsContact CG2-O 3.24Å; T61-H66 WeakPolarHBondContact CG2-O 3.16Å; T61-H66 PolarHBondContact O-N 2.91Å; T61-H66 PolarHBondContact OG1-O 2.81Å; N64-H66 HydrophobicContact CB-CB 4.38Å; N64-H66 PolarHBondContact O-CD2 3.13Å; N64-H66 PolarHBondContact O-N 2.89Å
67Q97.3Very high96.4Very high116 Ų11663.8 Ų63.854%0.54231%0.31SS..  trans-87.6143.6175.7-56.3-54.4-49.700111.8V13 D14V13-Q67 HydrophobicContact CB-CB 4.24Å; V13-Q67 HydrophobicContact CG2-CB 4.34Å; V13-Q67 PolarHBondContact N-O 3.29Å; D14-Q67 PolarHBondContact OD2-N 3.24Å
68I97.4Very high96.3Very high16 Ų1668.1 Ų68.18%0.08233%0.329CS..BIsolated β-bridgetrans-108.7136.6179.3-56.6-54.2000109.7L10 G11 C12 I57 T61 F70L10-I68 HydrophobicContact CD1-CG2 3.72Å; L10-I68 HydrophobicContact CD2-CG2 3.77Å; L10-I68 HydrophobicContact CG-CG2 3.52Å; G11-I68 WeakPolarHBondContact O-CG2 3.34Å; C12-I68 HydrophobicContact CB-CD1 4.35Å; I57-I68 HydrophobicContact CD1-CD1 3.9Å; I57-I68 HydrophobicContact CD1-CG1 4.46Å; I57-I68 HydrophobicContact CD1-CG2 3.94Å; I57-I68 HydrophobicContact CG1-CD1 3.41Å; I57-I68 VanDerWaalsContact CG1-CD1 3.41Å; I57-I68 HydrophobicContact CG1-CG1 3.91Å; I57-I68 HydrophobicContact CG1-CG2 4.19Å; T61-I68 WeakPolarHBondContact OG1-CD1 3.43Å; T61-I68 WeakPolarHBondContact OG1-CG1 3.45Å; I68-F70 VanDerWaalsContact C-N 3.3Å; I68-F70 HydrophobicContact CB-CD2 4.05Å; I68-F70 HydrophobicContact CB-CE1 4.45Å; I68-F70 HydrophobicContact CB-CE2 3.57Å; I68-F70 HydrophobicContact CB-CZ 3.79Å; I68-F70 HydrophobicContact CG1-CE2 4.37Å; I68-F70 HydrophobicContact CG1-CZ 4.37Å; I68-F70 HydrophobicContact CG2-CD1 4.2Å; I68-F70 HydrophobicContact CG2-CD2 4.19Å; I68-F70 HydrophobicContact CG2-CE1 3.86Å; I68-F70 HydrophobicContact CG2-CE2 3.87Å; I68-F70 HydrophobicContact CG2-CG 4.35Å; I68-F70 HydrophobicContact CG2-CZ 3.68Å; I68-F70 WeakPolarHBondContact O-CD2 3.21Å; I68-F70 PolarHBondContact O-N 3.46Å
69D97.1Very high96.1Very high43 Ų4373 Ų7323%0.2335%0.354CS..  trans-80.178.4178.9-165.3-14.1000111.4L10 G11 V13 K71 N72L10-D69 WeakPolarHBondContact CD1-O 3.45Å; G11-D69 PolarHBondContact O-N 2.89Å; V13-D69 HydrophobicContact CG2-CB 3.86Å; D69-K71 PolarHBondContact O-N 3.33Å; D69-K71 PolarHBondContact OD1-N 3.36Å; D69-N72 PolarHBondContact OD1-N 3.16Å; D69-N72 PolarHBondContact OD1-ND2 2.88Å; D69-N72 VanDerWaalsContact OD2-CB 3.32Å; D69-N72 WeakPolarHBondContact OD2-CB 3.42Å; D69-N72 PolarHBondContact OD2-ND2 3.4Å
70F96Very high95.9Very high56 Ų5674 Ų7425%0.24636%0.358CS..SBendtrans-72.3-7.9174.1-66.2-69000113.6L10 A31 H34 I35 T38 I68L10-F70 HydrophobicContact CD1-CD1 4.03Å; L10-F70 HydrophobicContact CD1-CE1 4.35Å; L10-F70 HydrophobicContact CD2-CD1 4.23Å; L10-F70 HydrophobicContact CD2-CE1 3.76Å; A31-F70 HydrophobicContact CB-CD1 4.08Å; H34-F70 HydrophobicContact CB-CE1 3.68Å; H34-F70 HydrophobicContact CB-CZ 4.08Å; I35-F70 HydrophobicContact CD1-CD1 4.27Å; I35-F70 HydrophobicContact CD1-CD2 4.08Å; I35-F70 HydrophobicContact CD1-CE2 4.33Å; I35-F70 HydrophobicContact CD1-CG 4.04Å; I35-F70 HydrophobicContact CG1-CD1 4.03Å; I35-F70 HydrophobicContact CG1-CD2 3.73Å; I35-F70 HydrophobicContact CG1-CE1 3.81Å; I35-F70 HydrophobicContact CG1-CE2 3.47Å; I35-F70 VanDerWaalsContact CG1-CE2 3.47Å; I35-F70 HydrophobicContact CG1-CG 3.99Å; I35-F70 HydrophobicContact CG1-CZ 3.52Å; T38-F70 HydrophobicContact CG2-CZ 4.48Å; I68-F70 VanDerWaalsContact C-N 3.3Å; I68-F70 HydrophobicContact CB-CD2 4.05Å; I68-F70 HydrophobicContact CB-CE1 4.45Å; I68-F70 HydrophobicContact CB-CE2 3.57Å; I68-F70 HydrophobicContact CB-CZ 3.79Å; I68-F70 HydrophobicContact CG1-CE2 4.37Å; I68-F70 HydrophobicContact CG1-CZ 4.37Å; I68-F70 HydrophobicContact CG2-CD1 4.2Å; I68-F70 HydrophobicContact CG2-CD2 4.19Å; I68-F70 HydrophobicContact CG2-CE1 3.86Å; I68-F70 HydrophobicContact CG2-CE2 3.87Å; I68-F70 HydrophobicContact CG2-CG 4.35Å; I68-F70 HydrophobicContact CG2-CZ 3.68Å; I68-F70 WeakPolarHBondContact O-CD2 3.21Å; I68-F70 PolarHBondContact O-N 3.46Å
71K94.3Very high95.6Very high195 Ų19577.5 Ų77.585%0.84839%0.385SS*.SBendtrans-86.4-38.5178.4-66-179.9-179.6177.20110.8D69D69-K71 PolarHBondContact O-N 3.33Å; D69-K71 PolarHBondContact OD1-N 3.36Å
72N95.3Very high95.2Very high117 Ų11779 Ų7963%0.62639%0.392SS*.SBendtrans-109.454.7-176-54.6-57.3000112.8D69 K74D69-N72 PolarHBondContact OD1-N 3.16Å; D69-N72 PolarHBondContact OD1-ND2 2.88Å; D69-N72 VanDerWaalsContact OD2-CB 3.32Å; D69-N72 WeakPolarHBondContact OD2-CB 3.42Å; D69-N72 PolarHBondContact OD2-ND2 3.4Å; N72-K74 PolarHBondContact O-N 2.91Å
73I96.1Very high95Very high32 Ų3283.8 Ų83.816%0.16441%0.408CS..PPolyproline II helixtrans-70.1117.5175-48.8-174.6000109.3Y8 L10 I27 A31Y8-I73 HydrophobicContact CD2-CG2 3.85Å; Y8-I73 HydrophobicContact CG-CG2 4.19Å; L10-I73 HydrophobicContact CD1-CD1 4.05Å; L10-I73 HydrophobicContact CD1-CG1 3.76Å; I27-I73 HydrophobicContact CD1-CG2 3.97Å; I27-I73 HydrophobicContact CG1-CB 4.25Å; I27-I73 HydrophobicContact CG1-CD1 4.01Å; I27-I73 HydrophobicContact CG1-CG2 3.73Å; A31-I73 HydrophobicContact CB-CD1 3.7Å
74K96.3Very high94.6Very high134 Ų13482.9 Ų82.958%0.58340%0.404SS*.EExtended strand (participates in β ladder)trans-85.6120-178.7-177.1176.5-176.5175.10110.4Y8 K9 N72 L76Y8-K74 CarbonylContact C-O 3.47Å; Y8-K74 VanDerWaalsContact CA-O 3.23Å; Y8-K74 WeakPolarHBondContact CA-O 3.32Å; K9-K74 HydrophobicContact CB-CB 4.32Å; K9-K74 PolarHBondContact N-O 2.93Å; K9-K74 PolarHBondContact O-N 3.47Å; N72-K74 PolarHBondContact O-N 2.91Å; K74-L76 HydrophobicContact CD-CD2 4.15Å; K74-L76 HydrophobicContact CG-CD2 4.2Å
75I96.3Very high94.2Very high59 Ų5980.9 Ų80.930%0.30339%0.392SS..EExtended strand (participates in β ladder)trans-77.3123.4169.2-56-56000108.7C6 I27 K78C6-I75 HydrophobicContact CB-CD1 4.39Å; C6-I75 HydrophobicContact CB-CG2 4.14Å; I27-I75 HydrophobicContact CB-CD1 4.47Å; I27-I75 HydrophobicContact CD1-CD1 4.5Å; I27-I75 HydrophobicContact CG1-CD1 4.23Å; I75-K78 HydrophobicContact CG2-CB 3.9Å; I75-K78 HydrophobicContact CG2-CD 4.46Å; I75-K78 HydrophobicContact CG2-CG 4.33Å
76L95.5Very high94Very high48 Ų4875 Ų7525%0.25136%0.359SS..EExtended strand (participates in β ladder)trans-90.9-43.2178.8-58.6-178.8000111.4V7 K9 I20 K74 H93V7-L76 HydrophobicContact CG1-CB 4.39Å; V7-L76 HydrophobicContact CG1-CD1 4.22Å; V7-L76 PolarHBondContact O-N 3.39Å; K9-L76 HydrophobicContact CB-CD1 4.13Å; K9-L76 HydrophobicContact CB-CD2 4.04Å; K9-L76 HydrophobicContact CB-CG 4.15Å; I20-L76 HydrophobicContact CD1-CD1 4.21Å; I20-L76 HydrophobicContact CG1-CD1 4.39Å; I20-L76 HydrophobicContact CG2-CD1 4.16Å; K74-L76 HydrophobicContact CD-CD2 4.15Å; K74-L76 HydrophobicContact CG-CD2 4.2Å; L76-H93 HydrophobicContact CD1-CB 4.2Å
77Q94.4Very high93.7Very high48 Ų4878.9 Ų78.922%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-148.6153.4175.2-71.8-179.4-3.900108.8C6 V7 F80 A89 H93C6-Q77 CarbonylContact C-O 3.56Å; C6-Q77 VanDerWaalsContact CA-O 3.24Å; C6-Q77 WeakPolarHBondContact CA-O 3.24Å; C6-Q77 VanDerWaalsContact CB-O 3.26Å; C6-Q77 WeakPolarHBondContact CB-O 3.42Å; V7-Q77 PolarHBondContact N-O 2.93Å; V7-Q77 PolarHBondContact O-N 3.25Å; Q77-F80 HydrophobicContact CB-CE2 3.83Å; Q77-F80 HydrophobicContact CB-CZ 3.55Å; Q77-A89 VanDerWaalsContact OE1-CB 3.25Å; Q77-H93 PolarHBondContact NE2-NE2 2.69Å
78K94.2Very high93.3Very high92 Ų9274.2 Ų74.240%0.435%0.352SS..  trans-150.7177.9-175.359.1171.8-171.8-1790111.4N5 C6 I75 F80N5-K78 CarbonylContact O-C 3.53Å; N5-K78 WeakPolarHBondContact O-CA 3.35Å; C6-K78 HydrophobicContact CB-CB 3.94Å; I75-K78 HydrophobicContact CG2-CB 3.9Å; I75-K78 HydrophobicContact CG2-CD 4.46Å; I75-K78 HydrophobicContact CG2-CG 4.33Å; K78-F80 VanDerWaalsContact C-N 3.26Å; K78-F80 PolarHBondContact O-N 2.93Å
79D92.5Very high93Very high102 Ų10273.9 Ų73.955%0.54535%0.351SS..  trans62.331.7175.3-52.5-45.1000113.1N5 S81N5-D79 PolarHBondContact O-N 3.36Å; D79-S81 PolarHBondContact O-N 3Å
80F92.6Very high92.8Very high27 Ų2772.5 Ų72.512%0.11834%0.344CS..  trans-63.4135.2175.6-68.4-76.2000111.6N5 V7 Q77 K78 N82 E85 R86 A89N5-F80 HydrophobicContact CB-CB 4.43Å; N5-F80 WeakPolarHBondContact O-CD2 3.47Å; N5-F80 PolarHBondContact O-N 2.83Å; V7-F80 HydrophobicContact CB-CE2 4.44Å; V7-F80 HydrophobicContact CG2-CE2 3.78Å; V7-F80 HydrophobicContact CG2-CZ 4.05Å; Q77-F80 HydrophobicContact CB-CE2 3.83Å; Q77-F80 HydrophobicContact CB-CZ 3.55Å; K78-F80 VanDerWaalsContact C-N 3.26Å; K78-F80 PolarHBondContact O-N 2.93Å; F80-N82 VanDerWaalsContact C-N 3.34Å; F80-E85 HydrophobicContact CD1-CB 3.77Å; F80-E85 HydrophobicContact CE1-CB 4.41Å; F80-R86 HydrophobicContact CB-CB 3.99Å; F80-R86 HydrophobicContact CB-CG 4.5Å; F80-R86 HydrophobicContact CD1-CB 4.2Å; F80-R86 HydrophobicContact CD2-CB 3.74Å; F80-R86 HydrophobicContact CD2-CG 3.49Å; F80-R86 VanDerWaalsContact CD2-CG 3.49Å; F80-R86 HydrophobicContact CE2-CB 4.28Å; F80-R86 HydrophobicContact CE2-CG 3.84Å; F80-R86 HydrophobicContact CG-CB 3.7Å; F80-R86 HydrophobicContact CG-CG 4.02Å; F80-A89 HydrophobicContact CE1-CB 3.65Å; F80-A89 HydrophobicContact CE2-CB 4.41Å; F80-A89 HydrophobicContact CZ-CB 3.38Å
81S89.9Confident92.5Very high93 Ų9370.8 Ų70.865%0.6534%0.34SS*.SBendtrans-73-29.5-179.972.50000112.5D79 E85D79-S81 PolarHBondContact O-N 3Å; S81-E85 PolarHBondContact N-OE2 2.99Å; S81-E85 VanDerWaalsContact OG-CD 3.26Å; S81-E85 PolarHBondContact OG-OE1 3.3Å; S81-E85 VanDerWaalsContact OG-OE1 3.07Å; S81-E85 PolarHBondContact OG-OE2 2.74Å
82N90.1Very high92.3Very high55 Ų5562.7 Ų62.729%0.29430%0.304SS..SBendtrans-149.7166.2-17665.873.3000112.6F80 K84 E85 R86F80-N82 VanDerWaalsContact C-N 3.34Å; N82-K84 VanDerWaalsContact C-N 3.3Å; N82-K84 PolarHBondContact O-N 3.39Å; N82-K84 WeakPolarHBondContact OD1-CA 3.3Å; N82-K84 VanDerWaalsContact OD1-CB 3.26Å; N82-K84 WeakPolarHBondContact OD1-CB 3.24Å; N82-K84 PolarHBondContact OD1-N 3.35Å; N82-E85 PolarHBondContact ND2-OE1 3.11Å; N82-E85 PolarHBondContact OD1-N 3.45Å; N82-R86 PolarHBondContact O-N 3.36Å
83Y91.4Very high92.2Very high144 Ų14458.4 Ų58.457%0.56528%0.281SS*.Hα-helixtrans-68.1-29.2-178.781.1-85.4000112.8R86 R87Y83-R86 PolarHBondContact O-N 3.46Å; Y83-R87 HydrophobicContact CD2-CG 4.29Å; Y83-R87 WeakPolarHBondContact O-CB 3.26Å; Y83-R87 WeakPolarHBondContact O-CG 3.24Å; Y83-R87 PolarHBondContact O-N 3.13Å
84K89Confident92Very high101 Ų10157.4 Ų57.444%0.43928%0.276SS..Hα-helixtrans-66.5-48.7-176.4-67.4175.1179.3178.30111.1N82 R86 R87 V88 M112N82-K84 VanDerWaalsContact C-N 3.3Å; N82-K84 PolarHBondContact O-N 3.39Å; N82-K84 WeakPolarHBondContact OD1-CA 3.3Å; N82-K84 VanDerWaalsContact OD1-CB 3.26Å; N82-K84 WeakPolarHBondContact OD1-CB 3.24Å; N82-K84 PolarHBondContact OD1-N 3.35Å; K84-R86 VanDerWaalsContact C-N 3.3Å; K84-R86 PolarHBondContact O-N 3.09Å; K84-R87 PolarHBondContact O-N 3.38Å; K84-V88 WeakPolarHBondContact O-CG2 3.36Å; K84-V88 PolarHBondContact O-N 3.36Å; K84-M112 HydrophobicContact CB-CE 3.49Å; K84-M112 VanDerWaalsContact CB-CE 3.49Å; K84-M112 HydrophobicContact CD-CE 3.72Å; K84-M112 HydrophobicContact CG-CE 3.76Å
85E89.1Confident91.6Very high41 Ų4155.6 Ų55.619%0.19227%0.27CS..Hα-helixtrans-56.1-47.1174.6-72.6167.4-166.300111.3F80 S81 N82 R87 V88 A89 L132F80-E85 HydrophobicContact CD1-CB 3.77Å; F80-E85 HydrophobicContact CE1-CB 4.41Å; S81-E85 PolarHBondContact N-OE2 2.99Å; S81-E85 VanDerWaalsContact OG-CD 3.26Å; S81-E85 PolarHBondContact OG-OE1 3.3Å; S81-E85 VanDerWaalsContact OG-OE1 3.07Å; S81-E85 PolarHBondContact OG-OE2 2.74Å; N82-E85 PolarHBondContact ND2-OE1 3.11Å; N82-E85 PolarHBondContact OD1-N 3.45Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R87 PolarHBondContact O-N 2.98Å; E85-V88 PolarHBondContact O-N 3.2Å; E85-A89 WeakPolarHBondContact O-CB 3.38Å; E85-A89 PolarHBondContact O-N 2.96Å; E85-L132 HydrophobicContact CG-CD2 3.97Å
86R92.7Very high91.4Very high12 Ų1256.1 Ų56.15%0.04527%0.273CS..Hα-helixtrans-63.8-37.5-179.2-167.2171.565.9-102.2-6.6112.9N5 C6 V7 E22 F80 N82 Y83 K84 A89 E90N5-R86 PolarHBondContact OD1-NH1 2.93Å; C6-R86 WeakPolarHBondContact O-CD 3.29Å; V7-R86 HydrophobicContact CG2-CG 4.04Å; E22-R86 HydrophobicContact CB-CG 3.72Å; E22-R86 HydrophobicContact CG-CG 4.49Å; E22-R86 IonicContact OE2-CZ 4Å; E22-R86 VanDerWaalsContact OE2-CZ 3.27Å; E22-R86 IonicContact OE2-NE 3.66Å; E22-R86 PolarHBondContact OE2-NE 3.34Å; E22-R86 IonicContact OE2-NH2 3.27Å; E22-R86 PolarHBondContact OE2-NH2 2.85Å; F80-R86 HydrophobicContact CB-CB 3.99Å; F80-R86 HydrophobicContact CB-CG 4.5Å; F80-R86 HydrophobicContact CD1-CB 4.2Å; F80-R86 HydrophobicContact CD2-CB 3.74Å; F80-R86 HydrophobicContact CD2-CG 3.49Å; F80-R86 VanDerWaalsContact CD2-CG 3.49Å; F80-R86 HydrophobicContact CE2-CB 4.28Å; F80-R86 HydrophobicContact CE2-CG 3.84Å; F80-R86 HydrophobicContact CG-CB 3.7Å; F80-R86 HydrophobicContact CG-CG 4.02Å; N82-R86 PolarHBondContact O-N 3.36Å; Y83-R86 PolarHBondContact O-N 3.46Å; K84-R86 VanDerWaalsContact C-N 3.3Å; K84-R86 PolarHBondContact O-N 3.09Å; R86-A89 PolarHBondContact O-N 3.42Å; R86-E90 WeakPolarHBondContact O-CB 3.29Å; R86-E90 PolarHBondContact O-N 2.72Å
87R90.7Very high91.3Very high126 Ų12656 Ų5648%0.47527%0.273SS..Hα-helixtrans-68.5-39.9175.2-68.1-66.9-66.3165.110.3111.9E22 Y83 K84 E85 E90 A91E22-R87 IonicContact OE1-NH1 2.69Å; Y83-R87 HydrophobicContact CD2-CG 4.29Å; Y83-R87 WeakPolarHBondContact O-CB 3.26Å; Y83-R87 WeakPolarHBondContact O-CG 3.24Å; Y83-R87 PolarHBondContact O-N 3.13Å; K84-R87 PolarHBondContact O-N 3.38Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R87 PolarHBondContact O-N 2.98Å; R87-E90 IonicContact CZ-OE2 3.85Å; R87-E90 VanDerWaalsContact CZ-OE2 3.26Å; R87-E90 IonicContact NE-OE2 3.3Å; R87-E90 IonicContact NH1-OE2 2.69Å; R87-E90 PolarHBondContact NH1-OE2 2.94Å; R87-E90 IonicContact NH2-OE2 2.93Å; R87-A91 WeakPolarHBondContact O-CB 3.41Å; R87-A91 PolarHBondContact O-N 3.4Å
88V88.7Confident91Very high17 Ų1757.7 Ų57.710%0.10329%0.288CS..Hα-helixtrans-64.5-44174.6173.30000110.2K84 E85 A91 F92 M112 F116K84-V88 WeakPolarHBondContact O-CG2 3.36Å; K84-V88 PolarHBondContact O-N 3.36Å; E85-V88 PolarHBondContact O-N 3.2Å; V88-A91 PolarHBondContact O-N 3.49Å; V88-F92 WeakPolarHBondContact O-CB 3.28Å; V88-F92 PolarHBondContact O-N 3.43Å; V88-M112 HydrophobicContact CG2-CB 4.12Å; V88-F116 HydrophobicContact CG2-CD2 4.39Å; V88-F116 HydrophobicContact CG2-CE2 4.23Å
89A90.9Very high91Very high9 Ų958.4 Ų58.47%0.07430%0.3CS..Hα-helixtrans-61.5-45.8175.900000112.6V7 Q77 F80 E85 R86 A91 F92 H93V7-A89 HydrophobicContact CG2-CB 3.93Å; Q77-A89 VanDerWaalsContact OE1-CB 3.25Å; F80-A89 HydrophobicContact CE1-CB 3.65Å; F80-A89 HydrophobicContact CE2-CB 4.41Å; F80-A89 HydrophobicContact CZ-CB 3.38Å; E85-A89 WeakPolarHBondContact O-CB 3.38Å; E85-A89 PolarHBondContact O-N 2.96Å; R86-A89 PolarHBondContact O-N 3.42Å; A89-A91 PolarHBondContact O-N 2.92Å; A89-F92 PolarHBondContact O-N 2.67Å; A89-H93 WeakPolarHBondContact O-CB 3.41Å; A89-H93 PolarHBondContact O-CD2 3.49Å; A89-H93 PolarHBondContact O-N 3.09Å
90E92.5Very high91.1Very high15 Ų1553.9 Ų53.97%0.0728%0.277CS..Hα-helixtrans-56.5-50.3174.5-179.3-172.4-130.200110.9V7 G21 E22 R86 R87 F92 H93 I94V7-E90 HydrophobicContact CG2-CB 4.21Å; G21-E90 VanDerWaalsContact CA-OE1 3.26Å; G21-E90 WeakPolarHBondContact CA-OE1 3.45Å; E22-E90 HydrophobicContact CB-CB 4.29Å; E22-E90 HydrophobicContact CG-CB 4.49Å; E22-E90 PolarHBondContact N-OE1 3.26Å; R86-E90 WeakPolarHBondContact O-CB 3.29Å; R86-E90 PolarHBondContact O-N 2.72Å; R87-E90 IonicContact CZ-OE2 3.85Å; R87-E90 VanDerWaalsContact CZ-OE2 3.26Å; R87-E90 IonicContact NE-OE2 3.3Å; R87-E90 IonicContact NH1-OE2 2.69Å; R87-E90 PolarHBondContact NH1-OE2 2.94Å; R87-E90 IonicContact NH2-OE2 2.93Å; E90-F92 VanDerWaalsContact C-N 3.32Å; E90-F92 PolarHBondContact O-N 3.42Å; E90-H93 PolarHBondContact O-N 3.49Å; E90-I94 HydrophobicContact CG-CD1 3.84Å; E90-I94 VanDerWaalsContact O-CG1 3.29Å; E90-I94 WeakPolarHBondContact O-CG1 3.29Å; E90-I94 PolarHBondContact O-N 3.37Å
91A89.9Confident91.3Very high20 Ų2055.1 Ų55.117%0.16529%0.285CS..Hα-helixtrans-60.4-41.9179.100000112.1R87 V88 A89 I94 M95 L107R87-A91 WeakPolarHBondContact O-CB 3.41Å; R87-A91 PolarHBondContact O-N 3.4Å; V88-A91 PolarHBondContact O-N 3.49Å; A89-A91 PolarHBondContact O-N 2.92Å; A91-I94 PolarHBondContact O-N 3.3Å; A91-M95 WeakPolarHBondContact O-CB 3.45Å; A91-M95 WeakPolarHBondContact O-CG 3.5Å; A91-M95 PolarHBondContact O-N 3.42Å; A91-L107 HydrophobicContact CB-CD2 4.02Å
92F89.8Confident91.5Very high24 Ų2451.5 Ų51.511%0.10526%0.258CS..Hα-helixtrans-63.7-46177.3-170.3-103000111.7V88 A89 E90 I94 M95 L96 I118 L123V88-F92 WeakPolarHBondContact O-CB 3.28Å; V88-F92 PolarHBondContact O-N 3.43Å; A89-F92 PolarHBondContact O-N 2.67Å; E90-F92 VanDerWaalsContact C-N 3.32Å; E90-F92 PolarHBondContact O-N 3.42Å; F92-I94 VanDerWaalsContact C-N 3.35Å; F92-I94 PolarHBondContact O-N 2.93Å; F92-M95 PolarHBondContact O-N 3.4Å; F92-L96 HydrophobicContact CD1-CD1 3.72Å; F92-L96 HydrophobicContact CD1-CG 4.3Å; F92-L96 HydrophobicContact CE1-CD1 3.27Å; F92-L96 HydrophobicContact CE1-CG 4.06Å; F92-L96 HydrophobicContact CZ-CD1 3.83Å; F92-L96 HydrophobicContact CZ-CD2 4.48Å; F92-L96 HydrophobicContact CZ-CG 4.28Å; F92-L96 WeakPolarHBondContact O-CG 3.37Å; F92-L96 PolarHBondContact O-N 2.69Å; F92-I118 HydrophobicContact CD2-CD1 4.39Å; F92-I118 HydrophobicContact CE2-CD1 4.45Å; F92-I118 HydrophobicContact CE2-CG2 4.45Å; F92-L123 HydrophobicContact CZ-CD2 4.46Å
93H92.7Very high91.3Very high28 Ų2852.8 Ų52.813%0.1326%0.259CS..Hα-helixtrans-61.8-40.6175.3-83-67.2000112V7 I20 L76 Q77 A89 E90 L96 N97V7-H93 HydrophobicContact CG1-CB 4.45Å; I20-H93 HydrophobicContact CD1-CB 4.05Å; I20-H93 HydrophobicContact CG2-CB 3.91Å; L76-H93 HydrophobicContact CD1-CB 4.2Å; Q77-H93 PolarHBondContact NE2-NE2 2.69Å; A89-H93 WeakPolarHBondContact O-CB 3.41Å; A89-H93 PolarHBondContact O-CD2 3.49Å; A89-H93 PolarHBondContact O-N 3.09Å; E90-H93 PolarHBondContact O-N 3.49Å; H93-L96 PolarHBondContact O-N 2.69Å; H93-N97 WeakPolarHBondContact O-CB 3.41Å; H93-N97 PolarHBondContact O-N 3.26Å; H93-N97 PolarHBondContact O-ND2 3.35Å
94I92Very high90.4Very high11 Ų1151.4 Ų51.46%0.05626%0.256CS..Hα-helixtrans-64.3-43.9174.7-65162.9000111I20 E90 A91 F92 L96 N97 N102 L107I20-I94 HydrophobicContact CB-CG1 3.94Å; I20-I94 HydrophobicContact CG2-CG1 4.11Å; E90-I94 HydrophobicContact CG-CD1 3.84Å; E90-I94 VanDerWaalsContact O-CG1 3.29Å; E90-I94 WeakPolarHBondContact O-CG1 3.29Å; E90-I94 PolarHBondContact O-N 3.37Å; A91-I94 PolarHBondContact O-N 3.3Å; F92-I94 VanDerWaalsContact C-N 3.35Å; F92-I94 PolarHBondContact O-N 2.93Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 2.86Å; I94-N97 CarbonylContact O-C 3.3Å; I94-N97 VanDerWaalsContact O-C 3.3Å; I94-N97 PolarHBondContact O-N 3.23Å; I94-N97 VanDerWaalsContact O-N 3.09Å; I94-N102 HydrophobicContact CD1-CB 4Å; I94-N102 WeakPolarHBondContact CD1-ND2 3.42Å; I94-N102 HydrophobicContact CG1-CB 4.14Å; I94-N102 HydrophobicContact CG2-CB 3.9Å; I94-L107 HydrophobicContact CB-CD1 4.37Å; I94-L107 HydrophobicContact CG2-CD1 3.53Å
95M89.7Confident89.3Confident95 Ų9553 Ų5347%0.46827%0.265SS..Hα-helixtrans-60.6-41177.8-81.2-179.859.400112.7A91 F92 N97 I109A91-M95 WeakPolarHBondContact O-CB 3.45Å; A91-M95 WeakPolarHBondContact O-CG 3.5Å; A91-M95 PolarHBondContact O-N 3.42Å; F92-M95 PolarHBondContact O-N 3.4Å; M95-N97 PolarHBondContact O-N 3.49Å; M95-I109 HydrophobicContact SD-CG1 4.43Å
96L90.9Very high87.6Confident70 Ų7054.3 Ų54.337%0.36629%0.289SS..Hα-helixtrans-72.4-14.2177.1-70-177.2000113.6F92 H93 I94 P98 L123F92-L96 HydrophobicContact CD1-CD1 3.72Å; F92-L96 HydrophobicContact CD1-CG 4.3Å; F92-L96 HydrophobicContact CE1-CD1 3.27Å; F92-L96 HydrophobicContact CE1-CG 4.06Å; F92-L96 HydrophobicContact CZ-CD1 3.83Å; F92-L96 HydrophobicContact CZ-CD2 4.48Å; F92-L96 HydrophobicContact CZ-CG 4.28Å; F92-L96 WeakPolarHBondContact O-CG 3.37Å; F92-L96 PolarHBondContact O-N 2.69Å; H93-L96 PolarHBondContact O-N 2.69Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 2.86Å; L96-P98 WeakPolarHBondContact O-CD 3.41Å; L96-L123 HydrophobicContact CD2-CD2 3.9Å
97N92.8Very high85.9Confident47 Ų4756.2 Ų56.225%0.25130%0.3SS..  trans-122.973.1-176.3-70.7-90.9000110.2F18 I20 H93 I94 M95 T99 A100F18-N97 HydrophobicContact CE2-CB 3.79Å; F18-N97 HydrophobicContact CZ-CB 3.83Å; I20-N97 HydrophobicContact CD1-CB 3.88Å; H93-N97 WeakPolarHBondContact O-CB 3.41Å; H93-N97 PolarHBondContact O-N 3.26Å; H93-N97 PolarHBondContact O-ND2 3.35Å; I94-N97 CarbonylContact O-C 3.3Å; I94-N97 VanDerWaalsContact O-C 3.3Å; I94-N97 PolarHBondContact O-N 3.23Å; I94-N97 VanDerWaalsContact O-N 3.09Å; M95-N97 PolarHBondContact O-N 3.49Å; N97-T99 PolarHBondContact O-N 3.03Å; N97-A100 HydrophobicContact CB-CB 4.41Å; N97-A100 VanDerWaalsContact O-CB 3.27Å; N97-A100 WeakPolarHBondContact O-CB 3.47Å; N97-A100 PolarHBondContact O-N 3.4Å
98P89.2Confident83.8Confident82 Ų8255.8 Ų55.853%0.53231%0.312SS..THydrogen-bonded Turntrans-64.4-13.6-17226.3-35.9000114.4L96 K104L96-P98 WeakPolarHBondContact O-CD 3.41Å; P98-K104 VanDerWaalsContact O-CE 3.28Å; P98-K104 WeakPolarHBondContact O-CE 3.14Å; P98-K104 PolarHBondContact O-NZ 3.35Å
99T93.6Very high82Confident107 Ų10759.2 Ų59.266%0.65633%0.329SS*.THydrogen-bonded Turntrans-90.2-2175.854.50000113.6N97N97-T99 PolarHBondContact O-N 3.03Å
100A95.9Very high80Confident8 Ų861.9 Ų61.97%0.06635%0.346CS..SBendtrans-61.7144.4174.700000111.2F18 N97 N102F18-A100 HydrophobicContact CD2-CB 4.05Å; F18-A100 HydrophobicContact CE2-CB 3.63Å; F18-A100 HydrophobicContact CZ-CB 4.26Å; F18-A100 CarbonylContact O-C 3.56Å; F18-A100 WeakPolarHBondContact O-CA 3.36Å; N97-A100 HydrophobicContact CB-CB 4.41Å; N97-A100 VanDerWaalsContact O-CB 3.27Å; N97-A100 WeakPolarHBondContact O-CB 3.47Å; N97-A100 PolarHBondContact O-N 3.4Å; A100-N102 PolarHBondContact O-N 3.29Å; A100-N102 VanDerWaalsContact O-N 3.11Å
101L96.5Very high77.8Confident52 Ų5266 Ų6627%0.27237%0.374SS..SBendtrans-64.9-13.2179.8-69.9173.4000113.9A17 F18 A56 I57 H60 R103A17-L101 HydrophobicContact CB-CD1 4.11Å; A17-L101 HydrophobicContact CB-CD2 4.11Å; A17-L101 HydrophobicContact CB-CG 4.16Å; F18-L101 WeakPolarHBondContact O-CB 3.47Å; F18-L101 WeakPolarHBondContact O-CG 3.26Å; F18-L101 PolarHBondContact O-N 2.91Å; A56-L101 HydrophobicContact CB-CB 4.01Å; A56-L101 WeakPolarHBondContact CB-O 3.33Å; I57-L101 HydrophobicContact CB-CD1 4.3Å; I57-L101 HydrophobicContact CG1-CD1 4.3Å; H60-L101 HydrophobicContact CB-CD1 3.74Å; H60-L101 HydrophobicContact CB-CD2 4.37Å; L101-R103 PolarHBondContact O-N 2.9Å
102N94.2Very high76Confident17 Ų1766.9 Ų66.99%0.09138%0.375CS..SBendtrans-55.2132.2-180-67.475.2000111.5Y19 I20 I94 A100 K104Y19-N102 WeakPolarHBondContact CD2-OD1 3.36Å; Y19-N102 WeakPolarHBondContact CE2-ND2 3.25Å; I20-N102 PolarHBondContact N-OD1 3.44Å; I20-N102 PolarHBondContact O-ND2 2.91Å; I20-N102 PolarHBondContact O-OD1 3.17Å; I94-N102 HydrophobicContact CD1-CB 4Å; I94-N102 WeakPolarHBondContact CD1-ND2 3.42Å; I94-N102 HydrophobicContact CG1-CB 4.14Å; I94-N102 HydrophobicContact CG2-CB 3.9Å; A100-N102 PolarHBondContact O-N 3.29Å; A100-N102 VanDerWaalsContact O-N 3.11Å; N102-K104 PolarHBondContact O-N 3.3Å
103R85Confident74.1Confident83 Ų8367 Ų6731%0.31338%0.377SS..  trans-61.4131.9169-166.8-179.9-175.1172.4-1.5108.8D49 L101 E105D49-R103 IonicContact OD1-CZ 3.67Å; D49-R103 IonicContact OD1-NH1 3.92Å; D49-R103 PolarHBondContact OD1-NH1 3.09Å; D49-R103 IonicContact OD1-NH2 2.69Å; D49-R103 IonicContact OD2-NH1 3.26Å; L101-R103 PolarHBondContact O-N 2.9Å; R103-E105 HydrophobicContact CG-CB 4.17Å; R103-E105 IonicContact CZ-OE1 2.67Å; R103-E105 IonicContact CZ-OE2 2.96Å; R103-E105 IonicContact NE-OE1 3.32Å; R103-E105 PolarHBondContact NE-OE1 3.03Å; R103-E105 IonicContact NE-OE2 3.79Å; R103-E105 PolarHBondContact NE-OE2 3.39Å; R103-E105 VanDerWaalsContact NH2-CD 3.31Å; R103-E105 IonicContact NH2-OE1 3.26Å; R103-E105 PolarHBondContact NH2-OE1 2.95Å; R103-E105 IonicContact NH2-OE2 3.92Å; R103-E105 PolarHBondContact NH2-OE2 3.24Å
104K73.1Confident72Confident115 Ų11572.1 Ų72.150%0.541%0.405SS..  trans-90.3-17.7-176.9-60.2176.6-175.5171.60113.3P98 N102 G106 L107P98-K104 VanDerWaalsContact O-CE 3.28Å; P98-K104 WeakPolarHBondContact O-CE 3.14Å; P98-K104 PolarHBondContact O-NZ 3.35Å; N102-K104 PolarHBondContact O-N 3.3Å; K104-G106 PolarHBondContact O-N 2.89Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 HydrophobicContact CG-CD1 4.32Å; K104-L107 VanDerWaalsContact O-CB 3.29Å; K104-L107 WeakPolarHBondContact O-CB 3.41Å; K104-L107 PolarHBondContact O-N 2.93Å
105E64.7Low69.8Low133 Ų13377.7 Ų77.762%0.62143%0.434SS*.THydrogen-bonded Turntrans-63129.2175-68.3165.6-113.500110.3R103 L107R103-E105 HydrophobicContact CG-CB 4.17Å; R103-E105 IonicContact CZ-OE1 2.67Å; R103-E105 IonicContact CZ-OE2 2.96Å; R103-E105 IonicContact NE-OE1 3.32Å; R103-E105 PolarHBondContact NE-OE1 3.03Å; R103-E105 IonicContact NE-OE2 3.79Å; R103-E105 PolarHBondContact NE-OE2 3.39Å; R103-E105 VanDerWaalsContact NH2-CD 3.31Å; R103-E105 IonicContact NH2-OE1 3.26Å; R103-E105 PolarHBondContact NH2-OE1 2.95Å; R103-E105 IonicContact NH2-OE2 3.92Å; R103-E105 PolarHBondContact NH2-OE2 3.24Å; E105-L107 VanDerWaalsContact C-N 3.32Å
106G54.7Low68Low69 Ų6975.2 Ų75.271%0.71142%0.421SS*.THydrogen-bonded Turntrans85.8-3.6-173.600000114.8K104 T108K104-G106 PolarHBondContact O-N 2.89Å; G106-T108 PolarHBondContact O-N 3.42Å
107L55.4Low65.7Low52 Ų5281.5 Ų81.527%0.27245%0.446SS..  trans-75.843.1156.9-64.8165.7000110A91 I94 K104 E105 I109A91-L107 HydrophobicContact CB-CD2 4.02Å; I94-L107 HydrophobicContact CB-CD1 4.37Å; I94-L107 HydrophobicContact CG2-CD1 3.53Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 HydrophobicContact CG-CD1 4.32Å; K104-L107 VanDerWaalsContact O-CB 3.29Å; K104-L107 WeakPolarHBondContact O-CB 3.41Å; K104-L107 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact C-N 3.32Å; L107-I109 PolarHBondContact O-N 2.84Å
108T47.6Very low63.7Low118 Ų11882.1 Ų82.172%0.72445%0.448SS*.SBendtrans-60.7114.7153.6-11.80000103.6G106 C110G106-T108 PolarHBondContact O-N 3.42Å; T108-C110 VanDerWaalsContact C-N 3.27Å; T108-C110 WeakPolarHBondContact O-CA 3.47Å; T108-C110 PolarHBondContact O-N 3.07Å
109I51.5Low61.4Low89 Ų8984 Ų8446%0.45645%0.453SS..  trans-31.499.8168.3-66.9177.4000105.6M95 L107 L113M95-I109 HydrophobicContact SD-CG1 4.43Å; L107-I109 PolarHBondContact O-N 2.84Å; I109-L113 HydrophobicContact CB-CB 4.46Å; I109-L113 HydrophobicContact CB-CD1 4.4Å; I109-L113 HydrophobicContact CG2-CB 3.19Å; I109-L113 HydrophobicContact CG2-CD1 3.85Å; I109-L113 HydrophobicContact CG2-CG 4.05Å
110C49.2Very low58.9Low65 Ų6587.5 Ų87.544%0.43946%0.46SS..  trans-50.1141.4-173-179.60000105.1T108 M112 L113T108-C110 VanDerWaalsContact C-N 3.27Å; T108-C110 WeakPolarHBondContact O-CA 3.47Å; T108-C110 PolarHBondContact O-N 3.07Å; C110-M112 HydrophobicContact CB-CB 4Å; C110-M112 HydrophobicContact CB-CG 4.47Å; C110-M112 CarbonylContact O-C 3.47Å; C110-M112 WeakPolarHBondContact O-CA 3.38Å; C110-M112 PolarHBondContact O-N 2.96Å; C110-M112 WeakPolarHBondContact SG-CG 3.47Å; C110-L113 PolarHBondContact O-N 2.89Å
111P46Very low56.1Low101 Ų10191.8 Ų91.866%0.65649%0.489SS*.Hα-helixtrans-45.6-23.1175.4-29.934.1000113.1L113 N114 L115P111-L113 PolarHBondContact O-N 3.01Å; P111-N114 WeakPolarHBondContact O-CB 3.33Å; P111-N114 PolarHBondContact O-N 2.68Å; P111-N114 VanDerWaalsContact O-N 3.09Å; P111-L115 PolarHBondContact O-N 3.01Å; P111-L115 VanDerWaalsContact O-N 3.1Å
112M51.2Low53.5Low38 Ų3897.8 Ų97.819%0.18751%0.513CS..Hα-helixtrans-50.4-41.7164.8-68.2-79.9-101.300116.8K84 V88 C110 N114 L115 F116K84-M112 HydrophobicContact CB-CE 3.49Å; K84-M112 VanDerWaalsContact CB-CE 3.49Å; K84-M112 HydrophobicContact CD-CE 3.72Å; K84-M112 HydrophobicContact CG-CE 3.76Å; V88-M112 HydrophobicContact CG2-CB 4.12Å; C110-M112 HydrophobicContact CB-CB 4Å; C110-M112 HydrophobicContact CB-CG 4.47Å; C110-M112 CarbonylContact O-C 3.47Å; C110-M112 WeakPolarHBondContact O-CA 3.38Å; C110-M112 PolarHBondContact O-N 2.96Å; C110-M112 WeakPolarHBondContact SG-CG 3.47Å; M112-N114 PolarHBondContact O-N 2.95Å; M112-L115 CarbonylContact O-C 3.56Å; M112-L115 WeakPolarHBondContact O-CA 3.01Å; M112-L115 WeakPolarHBondContact O-CB 3.49Å; M112-L115 PolarHBondContact O-N 3.25Å; M112-L115 HydrophobicContact SD-CD1 3.9Å; M112-F116 HydrophobicContact CB-CD2 4.41Å; M112-F116 HydrophobicContact CB-CE2 4.23Å; M112-F116 HydrophobicContact CE-CE2 4.05Å; M112-F116 WeakPolarHBondContact O-CD2 3.41Å; M112-F116 PolarHBondContact O-N 3.49Å; M112-F116 HydrophobicContact SD-CE2 3.94Å
113L50.8Low51.2Low27 Ų27100.5 Ų100.514%0.14153%0.527CS..Hα-helixtrans-69.2-19.8175.5-100.4144.8000112.6I109 C110 P111 I118I109-L113 HydrophobicContact CB-CB 4.46Å; I109-L113 HydrophobicContact CB-CD1 4.4Å; I109-L113 HydrophobicContact CG2-CB 3.19Å; I109-L113 HydrophobicContact CG2-CD1 3.85Å; I109-L113 HydrophobicContact CG2-CG 4.05Å; C110-L113 PolarHBondContact O-N 2.89Å; P111-L113 PolarHBondContact O-N 3.01Å; L113-I118 HydrophobicContact CD2-CD1 3.8Å
114N48.1Very low48.6Very low135 Ų13599 Ų9972%0.72254%0.537SS*.Hα-helixtrans-81.2-26.3165.3-73.7-16.7000112P111 M112P111-N114 WeakPolarHBondContact O-CB 3.33Å; P111-N114 PolarHBondContact O-N 2.68Å; P111-N114 VanDerWaalsContact O-N 3.09Å; M112-N114 PolarHBondContact O-N 2.95Å
115L46.5Very low46.6Very low129 Ų129100.3 Ų100.368%0.67555%0.55SS**Hα-helixtrans-72.9-37.5173.9-70.5167.5000111.9P111 M112P111-L115 PolarHBondContact O-N 3.01Å; P111-L115 VanDerWaalsContact O-N 3.1Å; M112-L115 CarbonylContact O-C 3.56Å; M112-L115 WeakPolarHBondContact O-CA 3.01Å; M112-L115 WeakPolarHBondContact O-CB 3.49Å; M112-L115 PolarHBondContact O-N 3.25Å; M112-L115 HydrophobicContact SD-CD1 3.9Å
116F50.5Low45.1Very low43 Ų43100.8 Ų100.819%0.18956%0.557CS.*THydrogen-bonded Turntrans-93.998.5173.4-57.4-69.1000108.3V88 M112 I118 L132 L134V88-F116 HydrophobicContact CG2-CD2 4.39Å; V88-F116 HydrophobicContact CG2-CE2 4.23Å; M112-F116 HydrophobicContact CB-CD2 4.41Å; M112-F116 HydrophobicContact CB-CE2 4.23Å; M112-F116 HydrophobicContact CE-CE2 4.05Å; M112-F116 WeakPolarHBondContact O-CD2 3.41Å; M112-F116 PolarHBondContact O-N 3.49Å; M112-F116 HydrophobicContact SD-CE2 3.94Å; F116-I118 HydrophobicContact CB-CG1 4.46Å; F116-I118 PolarHBondContact O-N 3.05Å; F116-L132 HydrophobicContact CD1-CD2 4.19Å; F116-L132 HydrophobicContact CD1-CG 4.29Å; F116-L132 HydrophobicContact CE1-CD2 3.86Å; F116-L132 HydrophobicContact CE1-CG 4.46Å; F116-L132 HydrophobicContact CZ-CD2 4.45Å; F116-L134 HydrophobicContact CE1-CD2 4.41Å
117K43.9Very low44Very low202 Ų202103.5 Ų103.588%0.87856%0.56SS**THydrogen-bonded Turntrans-58.876.4174.1-73.1179.8177.3176.10111.2N119K117-N119 PolarHBondContact O-N 3.19Å
118I49.8Very low43.2Very low59 Ų59106 Ų10630%0.30357%0.566SS.*  trans-74.9101.5172.2-59.7-176.2000106.5F92 L113 F116 K120F92-I118 HydrophobicContact CD2-CD1 4.39Å; F92-I118 HydrophobicContact CE2-CD1 4.45Å; F92-I118 HydrophobicContact CE2-CG2 4.45Å; L113-I118 HydrophobicContact CD2-CD1 3.8Å; F116-I118 HydrophobicContact CB-CG1 4.46Å; F116-I118 PolarHBondContact O-N 3.05Å; I118-K120 PolarHBondContact O-N 3.06Å
119N40.3Very low42.6Very low121 Ų121107.2 Ų107.265%0.64757%0.568SS**  trans-69.6111.6-179-146.2-29000108.9K117 S121 K122K117-N119 PolarHBondContact O-N 3.19Å; N119-S121 PolarHBondContact O-N 2.73Å; N119-S121 PolarHBondContact OD1-OG 2.98Å; N119-K122 PolarHBondContact O-N 2.66Å
120K41.9Very low42.1Very low181 Ų181105.9 Ų105.979%0.78756%0.564SS**G310 helixtrans-58.3-16.3-175.8-76.2-173.9177.5178.70113.8I118 K122 L123I118-K120 PolarHBondContact O-N 3.06Å; K120-K122 VanDerWaalsContact C-N 3.31Å; K120-K122 PolarHBondContact O-N 2.87Å; K120-L123 HydrophobicContact CB-CD1 4.45Å; K120-L123 WeakPolarHBondContact O-CD1 3.4Å
121S37.3Very low41.5Very low98 Ų98107.1 Ų107.169%0.68557%0.57SS**G310 helixtrans-74-9.6-176.2560000115.6N119N119-S121 PolarHBondContact O-N 2.73Å; N119-S121 PolarHBondContact OD1-OG 2.98Å
122K41.4Very low41.1Very low179 Ų179105.7 Ų105.778%0.77856%0.556SS**G310 helixtrans-98.310.9175.7-79.2-173175.8-177.50114.6N119 K120 G124N119-K122 PolarHBondContact O-N 2.66Å; K120-K122 VanDerWaalsContact C-N 3.31Å; K120-K122 PolarHBondContact O-N 2.87Å; K122-G124 PolarHBondContact O-N 2.97Å
123L46.4Very low40.3Very low74 Ų74113.3 Ų113.339%0.38758%0.584SS.*  trans-79.140.1176.7-84.1128.2000113.6F92 L96 K120 Y128F92-L123 HydrophobicContact CZ-CD2 4.46Å; L96-L123 HydrophobicContact CD2-CD2 3.9Å; K120-L123 HydrophobicContact CB-CD1 4.45Å; K120-L123 WeakPolarHBondContact O-CD1 3.4Å; L123-Y128 HydrophobicContact CD2-CE1 4.2Å; L123-Y128 HydrophobicContact CG-CE1 4.35Å
124G31.4Very low39.8Very low51 Ų51121.6 Ų121.653%0.52663%0.627SS.*  trans-97.4142.5171.300000110.2K122K122-G124 PolarHBondContact O-N 2.97Å
125N30.3Very low39.4Very low143 Ų143120.9 Ų120.977%0.76562%0.623SS**SBendtrans-41.3145.9-174.2-63.6-34.8000114.6
126D32.4Very low39Very low143 Ų143120.5 Ų120.577%0.76562%0.62SS**SBendtrans94.4106.8171.8-50.4-30.7000116.6
127T32.1Very low38.4Very low126 Ų126124.8 Ų124.877%0.77364%0.644SS**  trans51.486.416533.30000116.3N129T127-N129 PolarHBondContact O-N 3.35Å
128Y39.7Very low38.1Very low103 Ų103120.2 Ų120.240%0.40463%0.63SS.*  trans-67.786.1174.1-62.9-80000112.7L123 V130L123-Y128 HydrophobicContact CD2-CE1 4.2Å; L123-Y128 HydrophobicContact CG-CE1 4.35Å; Y128-V130 VanDerWaalsContact C-N 3.3Å; Y128-V130 PolarHBondContact O-N 3.1Å; Y128-V130 VanDerWaalsContact O-N 3.13Å
129N34.2Very low37.3Very low144 Ų144124.1 Ų124.177%0.7765%0.651SS**  trans-71.690.7152.1-76.8-49.2000107.5T127 V131T127-N129 PolarHBondContact O-N 3.35Å; N129-V131 PolarHBondContact O-N 2.72Å
130V40.6Very low37.1Very low61 Ų61124.3 Ų124.337%0.3765%0.651SS.*  trans-69.891.4165.1-178.70000106.4Y128 L132Y128-V130 VanDerWaalsContact C-N 3.3Å; Y128-V130 PolarHBondContact O-N 3.1Å; Y128-V130 VanDerWaalsContact O-N 3.13Å; V130-L132 HydrophobicContact CG1-CD1 4.07Å; V130-L132 PolarHBondContact O-N 3.09Å; V130-L132 VanDerWaalsContact O-N 3.09Å
131V37.2Very low36.8Very low92 Ų92120.2 Ų120.256%0.55864%0.641SS**  trans-71.7100.8167.7-174.50000106.7N129 Y133N129-V131 PolarHBondContact O-N 2.72Å; V131-Y133 HydrophobicContact CB-CD2 4.4Å; V131-Y133 HydrophobicContact CB-CE2 4.03Å; V131-Y133 HydrophobicContact CG1-CD2 3.84Å; V131-Y133 HydrophobicContact CG1-CE1 4.49Å; V131-Y133 HydrophobicContact CG1-CE2 3.49Å; V131-Y133 VanDerWaalsContact CG1-CE2 3.49Å; V131-Y133 HydrophobicContact CG1-CG 4.47Å; V131-Y133 PolarHBondContact O-N 3.32Å
132L36.6Very low36.8Very low70 Ų70121.9 Ų121.937%0.36664%0.638SS.*  trans-68.6107163.8-119.886.8000106.7E85 F116 V130 L134E85-L132 HydrophobicContact CG-CD2 3.97Å; F116-L132 HydrophobicContact CD1-CD2 4.19Å; F116-L132 HydrophobicContact CD1-CG 4.29Å; F116-L132 HydrophobicContact CE1-CD2 3.86Å; F116-L132 HydrophobicContact CE1-CG 4.46Å; F116-L132 HydrophobicContact CZ-CD2 4.45Å; V130-L132 HydrophobicContact CG1-CD1 4.07Å; V130-L132 PolarHBondContact O-N 3.09Å; V130-L132 VanDerWaalsContact O-N 3.09Å; L132-L134 PolarHBondContact O-N 3.48Å
133Y36.1Very low36.4Very low198 Ų198117.2 Ų117.278%0.77663%0.626SS**  trans-81.7110.8160.8-72.2-90.8000106.6V131V131-Y133 HydrophobicContact CB-CD2 4.4Å; V131-Y133 HydrophobicContact CB-CE2 4.03Å; V131-Y133 HydrophobicContact CG1-CD2 3.84Å; V131-Y133 HydrophobicContact CG1-CE1 4.49Å; V131-Y133 HydrophobicContact CG1-CE2 3.49Å; V131-Y133 VanDerWaalsContact CG1-CE2 3.49Å; V131-Y133 HydrophobicContact CG1-CG 4.47Å; V131-Y133 PolarHBondContact O-N 3.32Å
134L39.6Very low35.5Very low201 Ų201121.1 Ų121.1100%1.05265%0.648SS**  trans-77.30154.6-69.4176.2000108.5F116 L132F116-L134 HydrophobicContact CE1-CD2 4.41Å; L132-L134 PolarHBondContact O-N 3.48Å

Retrieved 134 of 134 residues in 123.2 ms (Link to these results)

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