A0A077ZLX3_TRITR Loading...

HHH 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1D72.3Confident84.2Confident208 Ų208105.2 Ų105.2100%1.11260%0.599SS**  0142.30-65.3-72.4000111.6
2I72.4Confident84.7Confident133 Ų13399.6 Ų99.668%0.68257%0.566SS**  trans-75.5127.3166.8-59.6173.4000106.6S4 V6I2-S4 PolarHBondContact O-N 3.04Å; I2-V6 HydrophobicContact CG2-CB 4.23Å; I2-V6 HydrophobicContact CG2-CG1 4.45Å
3P81Confident85.3Confident80 Ų8096.6 Ų96.652%0.51955%0.551SS.*  trans-58.7129.5176-18.929.8000109.3T5 V6 L7P3-T5 PolarHBondContact O-N 3.26Å; P3-V6 HydrophobicContact CB-CG2 4.11Å; P3-V6 HydrophobicContact CG-CG2 4.1Å; P3-V6 WeakPolarHBondContact O-CB 3.49Å; P3-V6 PolarHBondContact O-N 3.44Å; P3-L7 PolarHBondContact O-N 2.89Å
4S81.7Confident85.9Confident98 Ų9894.9 Ų94.969%0.68554%0.544SS*.Hα-helixtrans-53.8-29.4179.752.80000112.8I2 L7 K8I2-S4 PolarHBondContact O-N 3.04Å; S4-L7 PolarHBondContact O-N 3.28Å; S4-K8 PolarHBondContact O-N 3.3Å
5T86.3Confident86.4Confident100 Ų10091.2 Ų91.261%0.61352%0.523SS*.Hα-helixtrans-59.6-45.5173-470000112.6P3 L7 K8 T9P3-T5 PolarHBondContact O-N 3.26Å; T5-L7 PolarHBondContact O-N 3.47Å; T5-K8 PolarHBondContact O-N 3.05Å; T5-T9 PolarHBondContact O-N 3.06Å; T5-T9 PolarHBondContact O-OG1 3.48Å; T5-T9 VanDerWaalsContact O-OG1 3.05Å
6V87.1Confident86.8Confident77 Ų7791.6 Ų91.647%0.46752%0.519SS..Hα-helixtrans-63.7-45.2-178.8177.30000110I2 P3 K8 T9 T10I2-V6 HydrophobicContact CG2-CB 4.23Å; I2-V6 HydrophobicContact CG2-CG1 4.45Å; P3-V6 HydrophobicContact CB-CG2 4.11Å; P3-V6 HydrophobicContact CG-CG2 4.1Å; P3-V6 WeakPolarHBondContact O-CB 3.49Å; P3-V6 PolarHBondContact O-N 3.44Å; V6-K8 PolarHBondContact O-N 3Å; V6-T9 PolarHBondContact O-N 3.37Å; V6-T10 PolarHBondContact O-N 3.09Å; V6-T10 PolarHBondContact O-OG1 2.88Å; V6-T10 VanDerWaalsContact O-OG1 3.09Å
7L85.6Confident87.2Confident109 Ų10993.5 Ų93.557%0.57152%0.523SS*.Hα-helixtrans-60.8-46.5178.7179.360.8000111.8P3 S4 T5 T9 T10 V11P3-L7 PolarHBondContact O-N 2.89Å; S4-L7 PolarHBondContact O-N 3.28Å; T5-L7 PolarHBondContact O-N 3.47Å; L7-T9 VanDerWaalsContact C-N 3.35Å; L7-T9 PolarHBondContact O-N 3.48Å; L7-T10 PolarHBondContact O-N 3.48Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.98Å; L7-V11 VanDerWaalsContact O-N 3.09Å
8K88.4Confident87.5Confident119 Ų11992.4 Ų92.452%0.51752%0.521SS..Hα-helixtrans-59.7-47.2177.7-170.8-168179.8-52.60110.9S4 T5 V6 T10 V11 D12S4-K8 PolarHBondContact O-N 3.3Å; T5-K8 PolarHBondContact O-N 3.05Å; V6-K8 PolarHBondContact O-N 3Å; K8-T10 VanDerWaalsContact C-N 3.31Å; K8-T10 PolarHBondContact O-N 3.16Å; K8-V11 PolarHBondContact O-N 3.15Å; K8-V11 VanDerWaalsContact O-N 3.15Å; K8-D12 IonicContact NZ-OD1 4Å; K8-D12 PolarHBondContact NZ-OD1 2.62Å; K8-D12 IonicContact NZ-OD2 3.89Å; K8-D12 PolarHBondContact NZ-OD2 2.91Å; K8-D12 PolarHBondContact O-N 2.71Å
9T90Very high87.8Confident75 Ų7587.9 Ų87.946%0.4650%0.496SS..Hα-helixtrans-59.9-40.4178.7-600000112.2T5 V6 L7 D12 T13T5-T9 PolarHBondContact O-N 3.06Å; T5-T9 PolarHBondContact O-OG1 3.48Å; T5-T9 VanDerWaalsContact O-OG1 3.05Å; V6-T9 PolarHBondContact O-N 3.37Å; L7-T9 VanDerWaalsContact C-N 3.35Å; L7-T9 PolarHBondContact O-N 3.48Å; T9-D12 PolarHBondContact O-N 2.9Å; T9-T13 WeakPolarHBondContact O-CB 3.47Å; T9-T13 PolarHBondContact O-N 3.09Å; T9-T13 PolarHBondContact O-OG1 2.97Å
10T91Very high87.9Confident78 Ų7886 Ų8648%0.47949%0.488SS..Hα-helixtrans-62.1-43.4175.7-56.80000111.6V6 L7 K8 T13 V14V6-T10 PolarHBondContact O-N 3.09Å; V6-T10 PolarHBondContact O-OG1 2.88Å; V6-T10 VanDerWaalsContact O-OG1 3.09Å; L7-T10 PolarHBondContact O-N 3.48Å; K8-T10 VanDerWaalsContact C-N 3.31Å; K8-T10 PolarHBondContact O-N 3.16Å; T10-T13 PolarHBondContact O-N 3.31Å; T10-V14 WeakPolarHBondContact O-CG2 3.36Å; T10-V14 PolarHBondContact O-N 3.45Å
11V90.2Very high88.1Confident80 Ų8090.3 Ų90.349%0.48550%0.502SS..Hα-helixtrans-64.1-49.3177.2174.30000110.8L7 K8 T13 V14 V15L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.98Å; L7-V11 VanDerWaalsContact O-N 3.09Å; K8-V11 PolarHBondContact O-N 3.15Å; K8-V11 VanDerWaalsContact O-N 3.15Å; V11-T13 VanDerWaalsContact C-N 3.26Å; V11-T13 PolarHBondContact O-N 3.41Å; V11-V14 PolarHBondContact O-N 3.07Å; V11-V14 VanDerWaalsContact O-N 3.16Å; V11-V15 HydrophobicContact CG1-CG2 4.39Å; V11-V15 WeakPolarHBondContact O-CG2 3.4Å; V11-V15 PolarHBondContact O-N 3.37Å
12D90.9Very high89Confident38 Ų3885 Ų8520%0.20348%0.476CS..Hα-helixtrans-55.9-44178-61.8-16.9000110.3K8 T9 V14 V15 E16 H36K8-D12 IonicContact NZ-OD1 4Å; K8-D12 PolarHBondContact NZ-OD1 2.62Å; K8-D12 IonicContact NZ-OD2 3.89Å; K8-D12 PolarHBondContact NZ-OD2 2.91Å; K8-D12 PolarHBondContact O-N 2.71Å; T9-D12 PolarHBondContact O-N 2.9Å; D12-V14 PolarHBondContact O-N 2.89Å; D12-V15 PolarHBondContact O-N 3.41Å; D12-E16 WeakPolarHBondContact O-CG 3.35Å; D12-E16 PolarHBondContact O-N 3.32Å; D12-H36 IonicContact OD1-NE2 2.86Å
13T92.8Very high90Very high61 Ų6179.1 Ų79.137%0.37445%0.449SS..Hα-helixtrans-60.9-45.3178.6-56.70000111.9T9 T10 V11 V15 E16 Q17T9-T13 WeakPolarHBondContact O-CB 3.47Å; T9-T13 PolarHBondContact O-N 3.09Å; T9-T13 PolarHBondContact O-OG1 2.97Å; T10-T13 PolarHBondContact O-N 3.31Å; V11-T13 VanDerWaalsContact C-N 3.26Å; V11-T13 PolarHBondContact O-N 3.41Å; T13-V15 VanDerWaalsContact C-N 3.34Å; T13-E16 PolarHBondContact O-N 3.45Å; T13-Q17 VanDerWaalsContact O-CG 3.31Å; T13-Q17 WeakPolarHBondContact O-CG 3.38Å; T13-Q17 PolarHBondContact O-N 3.3Å
14V93.5Very high90.7Very high73 Ų7376.1 Ų76.144%0.44243%0.429SS..Hα-helixtrans-66.3-39.7179.4172.80000110.7T10 V11 D12 Q17 C18T10-V14 WeakPolarHBondContact O-CG2 3.36Å; T10-V14 PolarHBondContact O-N 3.45Å; V11-V14 PolarHBondContact O-N 3.07Å; V11-V14 VanDerWaalsContact O-N 3.16Å; D12-V14 PolarHBondContact O-N 2.89Å; V14-Q17 PolarHBondContact O-N 3.39Å; V14-C18 PolarHBondContact O-N 3.21Å; V14-C18 PolarHBondContact O-SG 3.32Å
15V93.1Very high91.3Very high39 Ų3972.9 Ų72.924%0.23641%0.405CS..Hα-helixtrans-62.6-46.8175.8175.10000110.6V11 D12 T13 Q17 C18 V19 L33 H36V11-V15 HydrophobicContact CG1-CG2 4.39Å; V11-V15 WeakPolarHBondContact O-CG2 3.4Å; V11-V15 PolarHBondContact O-N 3.37Å; D12-V15 PolarHBondContact O-N 3.41Å; T13-V15 VanDerWaalsContact C-N 3.34Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 2.88Å; V15-C18 PolarHBondContact O-N 3.26Å; V15-V19 HydrophobicContact CG1-CG2 4.32Å; V15-V19 WeakPolarHBondContact O-CB 3.31Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 2.94Å; V15-L33 HydrophobicContact CG1-CD2 4.11Å; V15-H36 HydrophobicContact CG1-CB 3.89Å
16E93.3Very high91.7Very high97 Ų9768.2 Ų68.245%0.45338%0.376SS..Hα-helixtrans-57.1-45175.1-73.6-179.6-172.700111.4D12 T13 C18 V19 S20 H36D12-E16 WeakPolarHBondContact O-CG 3.35Å; D12-E16 PolarHBondContact O-N 3.32Å; T13-E16 PolarHBondContact O-N 3.45Å; E16-C18 PolarHBondContact O-N 2.96Å; E16-V19 PolarHBondContact O-N 3.42Å; E16-S20 WeakPolarHBondContact O-CB 3.17Å; E16-S20 PolarHBondContact O-N 2.67Å; E16-S20 PolarHBondContact O-OG 3Å; E16-S20 VanDerWaalsContact O-OG 3.12Å; E16-H36 HydrophobicContact CG-CB 3.95Å
17Q92.9Very high92Very high125 Ų12566 Ų6658%0.58436%0.361SS*.Hα-helixtrans-61.6-43.2177.1-72.7-179.1-45.100112.5T13 V14 V15 S20 F21T13-Q17 VanDerWaalsContact O-CG 3.31Å; T13-Q17 WeakPolarHBondContact O-CG 3.38Å; T13-Q17 PolarHBondContact O-N 3.3Å; V14-Q17 PolarHBondContact O-N 3.39Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 2.88Å; Q17-S20 PolarHBondContact O-N 3.02Å; Q17-F21 WeakPolarHBondContact O-CB 3.48Å; Q17-F21 PolarHBondContact O-N 3.21Å
18C91.8Very high92.4Very high73 Ų7366 Ų6649%0.49337%0.366SS..Hα-helixtrans-62.4-44.8175.4-70.50000111.7V14 V15 E16 F21 V22V14-C18 PolarHBondContact O-N 3.21Å; V14-C18 PolarHBondContact O-SG 3.32Å; V15-C18 PolarHBondContact O-N 3.26Å; E16-C18 PolarHBondContact O-N 2.96Å; C18-F21 PolarHBondContact O-N 2.99Å; C18-V22 WeakPolarHBondContact O-CB 3.19Å; C18-V22 PolarHBondContact O-N 3.37Å
19V93.4Very high92.6Very high8 Ų860.8 Ų60.85%0.04835%0.345CS..Hα-helixtrans-63.1-42.2177.31680000111V15 E16 F21 G23 V24 H36 V37V15-V19 HydrophobicContact CG1-CG2 4.32Å; V15-V19 WeakPolarHBondContact O-CB 3.31Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 2.94Å; E16-V19 PolarHBondContact O-N 3.42Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.36Å; V19-G23 WeakPolarHBondContact O-CA 3.41Å; V19-G23 PolarHBondContact O-N 3.16Å; V19-V24 HydrophobicContact CB-CG1 4.35Å; V19-V24 HydrophobicContact CG1-CG1 3.97Å; V19-V24 HydrophobicContact CG2-CG1 3.75Å; V19-H36 HydrophobicContact CG2-CB 4.44Å; V19-V37 HydrophobicContact CG1-CB 4.24Å; V19-V37 HydrophobicContact CG1-CG2 3.67Å
20S90.4Very high92.9Very high48 Ų4859.8 Ų59.834%0.33634%0.34SS..Hα-helixtrans-65.5-36.2177.2-67.20000112.5E16 Q17 F81E16-S20 WeakPolarHBondContact O-CB 3.17Å; E16-S20 PolarHBondContact O-N 2.67Å; E16-S20 PolarHBondContact O-OG 3Å; E16-S20 VanDerWaalsContact O-OG 3.12Å; Q17-S20 PolarHBondContact O-N 3.02Å; S20-F81 WeakPolarHBondContact O-CD1 3.35Å; S20-F81 WeakPolarHBondContact O-CE1 3.21Å
21F91.5Very high93.2Very high178 Ų17857.8 Ų57.878%0.78133%0.328SS*.Hα-helixtrans-78.4-45.3-178.4-174.3-105.3000113Q17 C18 V19Q17-F21 WeakPolarHBondContact O-CB 3.48Å; Q17-F21 PolarHBondContact O-N 3.21Å; C18-F21 PolarHBondContact O-N 2.99Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.36Å
22V91.7Very high93.4Very high95 Ų9558.5 Ų58.558%0.57633%0.329SS*.Hα-helixtrans-94.9-39.7-173.3-178.40000111.7C18 R83C18-V22 WeakPolarHBondContact O-CB 3.19Å; C18-V22 PolarHBondContact O-N 3.37Å; V22-R83 PolarHBondContact O-NE 3.27Å; V22-R83 PolarHBondContact O-NH2 3.41Å
23G93.2Very high93.5Very high11 Ų1160.5 Ų60.511%0.11334%0.339CS..  trans84.8175-163.500000112.8V19 F81V19-G23 WeakPolarHBondContact O-CA 3.41Å; V19-G23 PolarHBondContact O-N 3.16Å; G23-F81 CarbonylContact C-O 3.51Å; G23-F81 WeakPolarHBondContact CA-O 3.46Å
24V95.2Very high93.6Very high16 Ų1657.6 Ų57.610%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-130.8142.4-178.5-65.10000111.1V19 V26 C29 L34 V37 F81 R83V19-V24 HydrophobicContact CB-CG1 4.35Å; V19-V24 HydrophobicContact CG1-CG1 3.97Å; V19-V24 HydrophobicContact CG2-CG1 3.75Å; V24-V26 PolarHBondContact O-N 2.97Å; V24-C29 HydrophobicContact CB-CB 4.43Å; V24-L34 HydrophobicContact CG2-CD2 4.06Å; V24-V37 HydrophobicContact CG2-CG2 3.46Å; V24-V37 VanDerWaalsContact CG2-CG2 3.46Å; V24-F81 PolarHBondContact N-O 3.49Å; V24-R83 PolarHBondContact O-N 3.07Å
25D95.2Very high93.7Very high31 Ų3156.6 Ų56.617%0.16631%0.312CS..EExtended strand (participates in β ladder)trans-77.4111172.8-174.8-29.1000110.6N27 T28 C29 R83 H85D25-N27 PolarHBondContact O-N 3.04Å; D25-N27 VanDerWaalsContact O-N 3.11Å; D25-N27 WeakPolarHBondContact OD1-CB 3.37Å; D25-N27 PolarHBondContact OD1-N 3.33Å; D25-T28 WeakPolarHBondContact CB-OG1 3.34Å; D25-T28 PolarHBondContact O-N 2.57Å; D25-C29 WeakPolarHBondContact O-CB 3.31Å; D25-C29 PolarHBondContact O-N 2.62Å; D25-R83 WeakPolarHBondContact CA-O 3.32Å; D25-H85 IonicContact OD2-CE1 3.63Å; D25-H85 IonicContact OD2-CG 3.85Å; D25-H85 IonicContact OD2-ND1 3.9Å; D25-H85 PolarHBondContact OD2-ND1 2.99Å
26V94.8Very high93.9Very high1 Ų155.9 Ų55.91%0.00631%0.306CS..THydrogen-bonded Turntrans-67.4-13.3-175.673.20000114V24 L34 V48 R52 I58 L64 V82 R83 I84V24-V26 PolarHBondContact O-N 2.97Å; V26-L34 HydrophobicContact CG2-CD2 4.34Å; V26-V48 HydrophobicContact CG2-CG1 3.55Å; V26-R52 PolarHBondContact O-NH1 3.43Å; V26-I58 HydrophobicContact CG1-CB 4.1Å; V26-I58 HydrophobicContact CG1-CD1 4.06Å; V26-I58 HydrophobicContact CG1-CG2 4.19Å; V26-I58 HydrophobicContact CG2-CD1 3.82Å; V26-L64 HydrophobicContact CG2-CD2 4.16Å; V26-V82 HydrophobicContact CB-CG1 3.56Å; V26-V82 HydrophobicContact CG1-CG1 3.77Å; V26-V82 HydrophobicContact CG2-CG1 4.15Å; V26-R83 PolarHBondContact N-O 3.46Å; V26-I84 HydrophobicContact CG1-CD1 4.46Å; V26-I84 HydrophobicContact CG1-CG1 3.67Å
27N94.1Very high94Very high31 Ų3151.3 Ų51.317%0.16629%0.285CS..THydrogen-bonded Turntrans-91.1-21178.4-73.6-44.2000114D25 R52 I58D25-N27 PolarHBondContact O-N 3.04Å; D25-N27 VanDerWaalsContact O-N 3.11Å; D25-N27 WeakPolarHBondContact OD1-CB 3.37Å; D25-N27 PolarHBondContact OD1-N 3.33Å; N27-R52 WeakPolarHBondContact O-CD 3.28Å; N27-R52 VanDerWaalsContact O-CZ 3.25Å; N27-R52 PolarHBondContact O-NE 2.99Å; N27-R52 PolarHBondContact O-NH1 2.7Å; N27-I58 PolarHBondContact ND2-O 3.34Å; N27-I58 PolarHBondContact OD1-N 3.46Å
28T92.9Very high94.1Very high110 Ų11047.8 Ų47.868%0.67527%0.272SS*.THydrogen-bonded Turntrans-117-19.6-177.958.80000113.3D25D25-T28 WeakPolarHBondContact CB-OG1 3.34Å; D25-T28 PolarHBondContact O-N 2.57Å
29C93.7Very high94.1Very high9 Ų946 Ų466%0.06127%0.265CS..  trans-64.8144.6-179.7-167.20000112.4V24 D25 L33 L34 R52V24-C29 HydrophobicContact CB-CB 4.43Å; D25-C29 WeakPolarHBondContact O-CB 3.31Å; D25-C29 PolarHBondContact O-N 2.62Å; C29-L33 WeakPolarHBondContact SG-CB 3.37Å; C29-L34 HydrophobicContact CB-CD2 4.24Å; C29-L34 HydrophobicContact CB-CG 4.06Å; C29-R52 PolarHBondContact O-NH1 2.9Å; C29-R52 PolarHBondContact O-NH2 3.46Å
30S95.5Very high94.3Very high53 Ų5346.6 Ų46.637%0.37127%0.268SS..  trans-81.3168.7174.665.40000111.4D32 L33 L34S30-D32 VanDerWaalsContact C-N 3.33Å; S30-D32 PolarHBondContact O-N 2.99Å; S30-L33 PolarHBondContact O-N 2.81Å; S30-L33 PolarHBondContact OG-N 3.27Å; S30-L34 WeakPolarHBondContact O-CB 3.45Å; S30-L34 WeakPolarHBondContact O-CG 3.15Å; S30-L34 PolarHBondContact O-N 3.46Å
31V96.7Very high94.5Very high36 Ų3648.4 Ų48.422%0.21827%0.274CS..Hα-helixtrans-61.4-43.4175.4176.80000110.9L33 L34 E35 A45 T46 C49V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 3.12Å; V31-L34 PolarHBondContact O-N 2.86Å; V31-E35 PolarHBondContact O-N 3.3Å; V31-A45 HydrophobicContact CG1-CB 4.03Å; V31-T46 WeakPolarHBondContact CG1-OG1 3.42Å; V31-C49 HydrophobicContact CG2-CB 3.92Å
32D94.1Very high94.7Very high96 Ų9646.1 Ų46.151%0.51326%0.264SS..Hα-helixtrans-63.9-32.9-178.4-52.9-82.8000112.2S30 E35 H36S30-D32 VanDerWaalsContact C-N 3.33Å; S30-D32 PolarHBondContact O-N 2.99Å; D32-E35 WeakPolarHBondContact O-CG 3.4Å; D32-H36 PolarHBondContact O-CE1 3.25Å; D32-H36 PolarHBondContact O-ND1 3.14Å
33L93.5Very high94.9Very high80 Ų8049.7 Ų49.742%0.41927%0.272SS..Hα-helixtrans-80.9-35.5174.3-76.4-179.9000112.2V15 C29 S30 V31 E35 H36V15-L33 HydrophobicContact CG1-CD2 4.11Å; C29-L33 WeakPolarHBondContact SG-CB 3.37Å; S30-L33 PolarHBondContact O-N 2.81Å; S30-L33 PolarHBondContact OG-N 3.27Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 3.12Å; L33-E35 VanDerWaalsContact C-N 3.3Å; L33-E35 PolarHBondContact O-N 3.4Å; L33-H36 PolarHBondContact O-N 2.8Å
34L95.9Very high95.1Very high0 Ų049.7 Ų49.70%027%0.27CS..Hα-helixtrans-65.3-30.8176.8-80173.5000112.9V24 V26 C29 S30 V31 H36 V37 L40 A45 V48V24-L34 HydrophobicContact CG2-CD2 4.06Å; V26-L34 HydrophobicContact CG2-CD2 4.34Å; C29-L34 HydrophobicContact CB-CD2 4.24Å; C29-L34 HydrophobicContact CB-CG 4.06Å; S30-L34 WeakPolarHBondContact O-CB 3.45Å; S30-L34 WeakPolarHBondContact O-CG 3.15Å; S30-L34 PolarHBondContact O-N 3.46Å; V31-L34 PolarHBondContact O-N 2.86Å; L34-H36 PolarHBondContact O-N 2.87Å; L34-V37 HydrophobicContact CD2-CG2 4.41Å; L34-V37 WeakPolarHBondContact O-CB 3.47Å; L34-V37 WeakPolarHBondContact O-CG2 3.42Å; L34-V37 PolarHBondContact O-N 2.84Å; L34-V37 VanDerWaalsContact O-N 3.14Å; L34-L40 HydrophobicContact CD2-CD1 4.39Å; L34-L40 WeakPolarHBondContact O-CB 3.35Å; L34-L40 WeakPolarHBondContact O-CD1 3.24Å; L34-A45 HydrophobicContact CB-CB 3.66Å; L34-V48 HydrophobicContact CD1-CB 4.35Å; L34-V48 HydrophobicContact CD1-CG1 4.04Å
35E95.9Very high95.2Very high51 Ų5149 Ų4924%0.23827%0.265CS..THydrogen-bonded Turntrans-69.3-18.3178.965.1176.4-158.700113.9V31 D32 L33 V37 K42 A45V31-E35 PolarHBondContact O-N 3.3Å; D32-E35 WeakPolarHBondContact O-CG 3.4Å; L33-E35 VanDerWaalsContact C-N 3.3Å; L33-E35 PolarHBondContact O-N 3.4Å; E35-V37 VanDerWaalsContact C-N 3.3Å; E35-K42 WeakPolarHBondContact OE2-CA 3.44Å; E35-K42 WeakPolarHBondContact OE2-CB 3.44Å; E35-K42 WeakPolarHBondContact OE2-CG 2.98Å; E35-A45 HydrophobicContact CB-CB 4.1Å
36H95.7Very high95.3Very high24 Ų2450 Ų5011%0.11127%0.273CS..THydrogen-bonded Turntrans-85.7-0.6173.9-6287.1000112.6D12 V15 E16 V19 D32 L33 L34D12-H36 IonicContact OD1-NE2 2.86Å; V15-H36 HydrophobicContact CG1-CB 3.89Å; E16-H36 HydrophobicContact CG-CB 3.95Å; V19-H36 HydrophobicContact CG2-CB 4.44Å; D32-H36 PolarHBondContact O-CE1 3.25Å; D32-H36 PolarHBondContact O-ND1 3.14Å; L33-H36 PolarHBondContact O-N 2.8Å; L34-H36 PolarHBondContact O-N 2.87Å
37V96.1Very high95.5Very high1 Ų151 Ų511%0.00628%0.281CS..SBendtrans-76.4128.5172.8178.80000109.1V19 V24 L34 E35 G39 L40 C78 F81V19-V37 HydrophobicContact CG1-CB 4.24Å; V19-V37 HydrophobicContact CG1-CG2 3.67Å; V24-V37 HydrophobicContact CG2-CG2 3.46Å; V24-V37 VanDerWaalsContact CG2-CG2 3.46Å; L34-V37 HydrophobicContact CD2-CG2 4.41Å; L34-V37 WeakPolarHBondContact O-CB 3.47Å; L34-V37 WeakPolarHBondContact O-CG2 3.42Å; L34-V37 PolarHBondContact O-N 2.84Å; L34-V37 VanDerWaalsContact O-N 3.14Å; E35-V37 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 2.9Å; V37-L40 HydrophobicContact CB-CB 4.32Å; V37-L40 HydrophobicContact CB-CD1 3.92Å; V37-L40 HydrophobicContact CB-CG 4.07Å; V37-L40 HydrophobicContact CG1-CD1 4.23Å; V37-L40 HydrophobicContact CG1-CG 4.23Å; V37-L40 HydrophobicContact CG2-CD1 4.42Å; V37-L40 WeakPolarHBondContact O-CB 3.38Å; V37-L40 PolarHBondContact O-N 3.11Å; V37-C78 HydrophobicContact CG1-CB 3.8Å; V37-F81 HydrophobicContact CG1-CB 3.89Å; V37-F81 HydrophobicContact CG1-CD2 4.46Å
38T94.1Very high95.6Very high52 Ų5249.6 Ų49.632%0.31927%0.274SS..THydrogen-bonded Turntrans-51.9127.5176.1-49.10000111.7L40 M77 C78 F81T38-L40 VanDerWaalsContact C-N 3.33Å; T38-M77 HydrophobicContact CG2-CE 3.59Å; T38-M77 CarbonylContact O-C 3.19Å; T38-C78 VanDerWaalsContact O-CA 3.25Å; T38-C78 WeakPolarHBondContact O-CA 3.48Å; T38-C78 WeakPolarHBondContact O-CB 3.19Å; T38-C78 PolarHBondContact O-N 3Å; T38-F81 HydrophobicContact CG2-CE2 4.47Å
39G93.4Very high95.7Very high34 Ų3445 Ų4535%0.35125%0.246SC..THydrogen-bonded Turntrans89-7.9-176.900000114.6V37 A74V37-G39 PolarHBondContact O-N 2.9Å; G39-A74 WeakPolarHBondContact O-CB 3.45Å
40L95.7Very high95.9Very high21 Ų2147.3 Ų47.311%0.1126%0.256CS..  trans-102159.3170.7-55.9-169.6000111.1L34 V37 T38 T44 L70 C78L34-L40 HydrophobicContact CD2-CD1 4.39Å; L34-L40 WeakPolarHBondContact O-CB 3.35Å; L34-L40 WeakPolarHBondContact O-CD1 3.24Å; V37-L40 HydrophobicContact CB-CB 4.32Å; V37-L40 HydrophobicContact CB-CD1 3.92Å; V37-L40 HydrophobicContact CB-CG 4.07Å; V37-L40 HydrophobicContact CG1-CD1 4.23Å; V37-L40 HydrophobicContact CG1-CG 4.23Å; V37-L40 HydrophobicContact CG2-CD1 4.42Å; V37-L40 WeakPolarHBondContact O-CB 3.38Å; V37-L40 PolarHBondContact O-N 3.11Å; T38-L40 VanDerWaalsContact C-N 3.33Å; L40-T44 WeakPolarHBondContact CA-OG1 3.42Å; L40-L70 HydrophobicContact CD2-CD1 3.36Å; L40-C78 HydrophobicContact CD1-CB 4.49Å; L40-C78 HydrophobicContact CD2-CB 3.99Å; L40-C78 HydrophobicContact CG-CB 3.95Å
41N95Very high95.9Very high87 Ų8746 Ų4647%0.46524%0.243SC..  trans-140.1175.5168.861.939.3000107.8K43 T44 A45N41-K43 PolarHBondContact O-N 3.24Å; N41-K43 WeakPolarHBondContact OD1-CA 3.48Å; N41-K43 WeakPolarHBondContact OD1-CB 3.47Å; N41-K43 PolarHBondContact OD1-N 3.03Å; N41-T44 PolarHBondContact N-OG1 3.32Å; N41-T44 PolarHBondContact O-N 3.44Å; N41-T44 VanDerWaalsContact O-N 3.11Å; N41-T44 PolarHBondContact O-OG1 3.49Å; N41-T44 PolarHBondContact OD1-N 2.67Å; N41-T44 PolarHBondContact OD1-OG1 2.82Å; N41-A45 VanDerWaalsContact O-CB 3.24Å; N41-A45 WeakPolarHBondContact O-CB 3.35Å; N41-A45 PolarHBondContact O-N 3.19Å
42K96.2Very high95.7Very high130 Ų13046.8 Ų46.857%0.56524%0.242SC*.Hα-helixtrans-48.3-40.1179.9-168.8161.2-173.4156.20114.4E35 T46E35-K42 WeakPolarHBondContact OE2-CA 3.44Å; E35-K42 WeakPolarHBondContact OE2-CB 3.44Å; E35-K42 WeakPolarHBondContact OE2-CG 2.98Å; K42-T46 WeakPolarHBondContact O-CB 3.35Å; K42-T46 PolarHBondContact O-N 2.9Å; K42-T46 PolarHBondContact O-OG1 2.88Å
43K96.8Very high95.6Very high170 Ų17050.3 Ų50.374%0.73925%0.249SC*.Hα-helixtrans-70.6-47.3-178.7-176-178.5178-179.10111.8N41 A47N41-K43 PolarHBondContact O-N 3.24Å; N41-K43 WeakPolarHBondContact OD1-CA 3.48Å; N41-K43 WeakPolarHBondContact OD1-CB 3.47Å; N41-K43 PolarHBondContact OD1-N 3.03Å; K43-A47 PolarHBondContact O-N 3.11Å
44T96.7Very high95.6Very high11 Ų1154.2 Ų54.27%0.06726%0.262CS..Hα-helixtrans-72-37.7178.9530000111.6L40 N41 T46 A47 V48 G69L40-T44 WeakPolarHBondContact CA-OG1 3.42Å; N41-T44 PolarHBondContact N-OG1 3.32Å; N41-T44 PolarHBondContact O-N 3.44Å; N41-T44 VanDerWaalsContact O-N 3.11Å; N41-T44 PolarHBondContact O-OG1 3.49Å; N41-T44 PolarHBondContact OD1-N 2.67Å; N41-T44 PolarHBondContact OD1-OG1 2.82Å; T44-T46 VanDerWaalsContact C-N 3.35Å; T44-T46 PolarHBondContact O-N 3.13Å; T44-A47 WeakPolarHBondContact O-CB 3.35Å; T44-A47 PolarHBondContact O-N 3.15Å; T44-A47 VanDerWaalsContact O-N 3.13Å; T44-V48 WeakPolarHBondContact O-CG2 3.47Å; T44-V48 PolarHBondContact O-N 3.15Å; T44-G69 WeakPolarHBondContact CG2-O 3.17Å
45A97.3Very high95.3Very high0 Ų058.9 Ų58.90%029%0.287CS..Hα-helixtrans-57.9-45.517200000111.9V31 L34 E35 N41 A47 V48 C49V31-A45 HydrophobicContact CG1-CB 4.03Å; L34-A45 HydrophobicContact CB-CB 3.66Å; E35-A45 HydrophobicContact CB-CB 4.1Å; N41-A45 VanDerWaalsContact O-CB 3.24Å; N41-A45 WeakPolarHBondContact O-CB 3.35Å; N41-A45 PolarHBondContact O-N 3.19Å; A45-A47 PolarHBondContact O-N 3.4Å; A45-V48 PolarHBondContact O-N 2.95Å; A45-C49 PolarHBondContact O-N 2.96Å; A45-C49 VanDerWaalsContact O-N 3.15Å
46T97.9Very high95Very high53 Ų5357.8 Ų57.833%0.32529%0.289SS..Hα-helixtrans-59.9-47.4172.9-57.80000110.7V31 K42 T44 V48 C49 E50V31-T46 WeakPolarHBondContact CG1-OG1 3.42Å; K42-T46 WeakPolarHBondContact O-CB 3.35Å; K42-T46 PolarHBondContact O-N 2.9Å; K42-T46 PolarHBondContact O-OG1 2.88Å; T44-T46 VanDerWaalsContact C-N 3.35Å; T44-T46 PolarHBondContact O-N 3.13Å; T46-V48 VanDerWaalsContact C-N 3.29Å; T46-V48 PolarHBondContact O-N 3Å; T46-C49 PolarHBondContact O-N 3.45Å; T46-C49 VanDerWaalsContact O-N 3.15Å; T46-E50 HydrophobicContact CG2-CG 4.3Å; T46-E50 WeakPolarHBondContact O-CG 3.38Å; T46-E50 PolarHBondContact O-N 3.26Å
47A97.3Very high94.8Very high22 Ų2261 Ų6118%0.18231%0.312CS..Hα-helixtrans-60.8-35179.700000113.2K43 T44 A45 E50 F51 V67 K68K43-A47 PolarHBondContact O-N 3.11Å; T44-A47 WeakPolarHBondContact O-CB 3.35Å; T44-A47 PolarHBondContact O-N 3.15Å; T44-A47 VanDerWaalsContact O-N 3.13Å; A45-A47 PolarHBondContact O-N 3.4Å; A47-E50 PolarHBondContact O-N 3.42Å; A47-F51 VanDerWaalsContact O-CB 3.31Å; A47-F51 WeakPolarHBondContact O-CB 3.31Å; A47-F51 PolarHBondContact O-N 3.22Å; A47-V67 HydrophobicContact CB-CG1 3.67Å; A47-K68 WeakPolarHBondContact CB-O 3.45Å
48V96.7Very high94.6Very high2 Ų260.9 Ų60.91%0.01231%0.312CS..Hα-helixtrans-64.4-47.3174171.90000110.6V26 L34 T44 A45 T46 E50 F51 R52 I58 L64 V67V26-V48 HydrophobicContact CG2-CG1 3.55Å; L34-V48 HydrophobicContact CD1-CB 4.35Å; L34-V48 HydrophobicContact CD1-CG1 4.04Å; T44-V48 WeakPolarHBondContact O-CG2 3.47Å; T44-V48 PolarHBondContact O-N 3.15Å; A45-V48 PolarHBondContact O-N 2.95Å; T46-V48 VanDerWaalsContact C-N 3.29Å; T46-V48 PolarHBondContact O-N 3Å; V48-E50 VanDerWaalsContact C-N 3.34Å; V48-E50 PolarHBondContact O-N 2.99Å; V48-F51 WeakPolarHBondContact O-CB 3.49Å; V48-F51 PolarHBondContact O-N 2.87Å; V48-R52 PolarHBondContact O-N 3.31Å; V48-I58 HydrophobicContact CG1-CD1 4.14Å; V48-L64 HydrophobicContact CG1-CD2 4.2Å; V48-L64 HydrophobicContact CG2-CD2 4.36Å; V48-V67 HydrophobicContact CG2-CG1 3.99Å; V48-V67 HydrophobicContact CG2-CG2 4.24Å
49C96.2Very high94.4Very high13 Ų1359.6 Ų59.69%0.08830%0.304CS..Hα-helixtrans-62.4-39.9175.8-76.60000112.6V31 A45 T46 R52 R53V31-C49 HydrophobicContact CG2-CB 3.92Å; A45-C49 PolarHBondContact O-N 2.96Å; A45-C49 VanDerWaalsContact O-N 3.15Å; T46-C49 PolarHBondContact O-N 3.45Å; T46-C49 VanDerWaalsContact O-N 3.15Å; C49-R52 PolarHBondContact O-N 3.02Å; C49-R53 PolarHBondContact O-N 3.47Å
50E96.6Very high94.2Very high58 Ų5858.2 Ų58.227%0.27129%0.288SS..Hα-helixtrans-62-43.9173.1-70-56.1132.600112T46 A47 V48 R52 R53 K54T46-E50 HydrophobicContact CG2-CG 4.3Å; T46-E50 WeakPolarHBondContact O-CG 3.38Å; T46-E50 PolarHBondContact O-N 3.26Å; A47-E50 PolarHBondContact O-N 3.42Å; V48-E50 VanDerWaalsContact C-N 3.34Å; V48-E50 PolarHBondContact O-N 2.99Å; E50-R52 VanDerWaalsContact C-N 3.35Å; E50-R53 PolarHBondContact O-N 2.95Å; E50-R53 IonicContact OE1-CZ 3.56Å; E50-R53 VanDerWaalsContact OE1-CZ 3.25Å; E50-R53 IonicContact OE1-NH1 2.62Å; E50-R53 PolarHBondContact OE1-NH1 2.76Å; E50-R53 IonicContact OE1-NH2 3.86Å; E50-R53 PolarHBondContact OE1-NH2 2.92Å; E50-R53 IonicContact OE2-CZ 2.91Å; E50-R53 IonicContact OE2-NE 3.34Å; E50-R53 IonicContact OE2-NH2 3.74Å; E50-R53 PolarHBondContact OE2-NH2 3.32Å; E50-K54 WeakPolarHBondContact O-CB 3.28Å; E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 3.08Å
51F95.6Very high94.1Very high25 Ų2557.2 Ų57.211%0.1128%0.283CS..Hα-helixtrans-60.9-45.7177.2180-87.5000110.8A47 V48 R53 K54 N55 I58 Q63 C66 V67A47-F51 VanDerWaalsContact O-CB 3.31Å; A47-F51 WeakPolarHBondContact O-CB 3.31Å; A47-F51 PolarHBondContact O-N 3.22Å; V48-F51 WeakPolarHBondContact O-CB 3.49Å; V48-F51 PolarHBondContact O-N 2.87Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.1Å; F51-K54 PolarHBondContact O-N 3.45Å; F51-N55 VanDerWaalsContact CD2-ND2 3.27Å; F51-N55 WeakPolarHBondContact CD2-ND2 2.96Å; F51-N55 HydrophobicContact CE1-CB 4.25Å; F51-N55 WeakPolarHBondContact CE2-ND2 3.34Å; F51-N55 HydrophobicContact CZ-CB 4.24Å; F51-N55 WeakPolarHBondContact O-CB 3.49Å; F51-N55 PolarHBondContact O-N 3.46Å; F51-N55 PolarHBondContact O-ND2 2.88Å; F51-I58 HydrophobicContact CD1-CD1 4.32Å; F51-I58 HydrophobicContact CD1-CG1 4.14Å; F51-I58 HydrophobicContact CE1-CG1 4.21Å; F51-Q63 HydrophobicContact CE1-CB 4.11Å; F51-Q63 HydrophobicContact CZ-CB 4.23Å; F51-C66 HydrophobicContact CE2-CB 3.74Å; F51-C66 HydrophobicContact CZ-CB 4.09Å; F51-V67 HydrophobicContact CB-CG2 3.81Å; F51-V67 HydrophobicContact CD1-CG2 4.06Å; F51-V67 HydrophobicContact CD2-CG2 4.01Å; F51-V67 HydrophobicContact CG-CG2 3.69Å
52R92Very high93.9Very high53 Ų5357.4 Ų57.420%0.228%0.28CS..Hα-helixtrans-59.3-41.8174.9-178.5174.770-164.77.4112V26 N27 C29 V48 C49 E50 G56V26-R52 PolarHBondContact O-NH1 3.43Å; N27-R52 WeakPolarHBondContact O-CD 3.28Å; N27-R52 VanDerWaalsContact O-CZ 3.25Å; N27-R52 PolarHBondContact O-NE 2.99Å; N27-R52 PolarHBondContact O-NH1 2.7Å; C29-R52 PolarHBondContact O-NH1 2.9Å; C29-R52 PolarHBondContact O-NH2 3.46Å; V48-R52 PolarHBondContact O-N 3.31Å; C49-R52 PolarHBondContact O-N 3.02Å; E50-R52 VanDerWaalsContact C-N 3.35Å; R52-G56 CarbonylContact C-O 3.55Å; R52-G56 WeakPolarHBondContact CA-O 3.43Å; R52-G56 CarbonylContact O-C 3.41Å; R52-G56 WeakPolarHBondContact O-CA 3.42Å; R52-G56 PolarHBondContact O-N 2.99Å
53R92.2Very high93.6Very high170 Ų17051.9 Ų51.964%0.64226%0.256SS*.Hα-helixtrans-68.3-35.9178.8-175.5168.160.5-131.615112.8C49 E50 F51C49-R53 PolarHBondContact O-N 3.47Å; E50-R53 PolarHBondContact O-N 2.95Å; E50-R53 IonicContact OE1-CZ 3.56Å; E50-R53 VanDerWaalsContact OE1-CZ 3.25Å; E50-R53 IonicContact OE1-NH1 2.62Å; E50-R53 PolarHBondContact OE1-NH1 2.76Å; E50-R53 IonicContact OE1-NH2 3.86Å; E50-R53 PolarHBondContact OE1-NH2 2.92Å; E50-R53 IonicContact OE2-CZ 2.91Å; E50-R53 IonicContact OE2-NE 3.34Å; E50-R53 IonicContact OE2-NH2 3.74Å; E50-R53 PolarHBondContact OE2-NH2 3.32Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.1Å
54K94Very high93.4Very high161 Ų16144 Ų4470%0.722%0.222SC*.Hα-helixtrans-83.7-38.2-176.7-71.9177.4-178.7-179.70113.7E50 F51E50-K54 WeakPolarHBondContact O-CB 3.28Å; E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 3.08Å; F51-K54 PolarHBondContact O-N 3.45Å
55N90Very high93.3Very high99 Ų9948.3 Ų48.353%0.52924%0.24SC..Hα-helixtrans-105.2-1.3-173.8-56.4-83.3000112.6F51F51-N55 VanDerWaalsContact CD2-ND2 3.27Å; F51-N55 WeakPolarHBondContact CD2-ND2 2.96Å; F51-N55 HydrophobicContact CE1-CB 4.25Å; F51-N55 WeakPolarHBondContact CE2-ND2 3.34Å; F51-N55 HydrophobicContact CZ-CB 4.24Å; F51-N55 WeakPolarHBondContact O-CB 3.49Å; F51-N55 PolarHBondContact O-N 3.46Å; F51-N55 PolarHBondContact O-ND2 2.88Å
56G90.2Very high93.1Very high27 Ų2751.6 Ų51.628%0.27826%0.262SS..  trans80.5-168.8-171.500000112.8R52R52-G56 CarbonylContact C-O 3.55Å; R52-G56 WeakPolarHBondContact CA-O 3.43Å; R52-G56 CarbonylContact O-C 3.41Å; R52-G56 WeakPolarHBondContact O-CA 3.42Å; R52-G56 PolarHBondContact O-N 2.99Å
57P91Very high92.9Very high91 Ų9149.2 Ų49.259%0.59125%0.247SC*.SBendtrans-55.9143.1-179.4-23.634000112.6V59P57-V59 PolarHBondContact O-N 2.93Å
58I92Very high92.7Very high0 Ų057.3 Ų57.30%028%0.279CS..  trans-78.6119.3171.4-62168.5000106.8V26 N27 V48 F51 C60 Q63 L64 I84V26-I58 HydrophobicContact CG1-CB 4.1Å; V26-I58 HydrophobicContact CG1-CD1 4.06Å; V26-I58 HydrophobicContact CG1-CG2 4.19Å; V26-I58 HydrophobicContact CG2-CD1 3.82Å; N27-I58 PolarHBondContact ND2-O 3.34Å; N27-I58 PolarHBondContact OD1-N 3.46Å; V48-I58 HydrophobicContact CG1-CD1 4.14Å; F51-I58 HydrophobicContact CD1-CD1 4.32Å; F51-I58 HydrophobicContact CD1-CG1 4.14Å; F51-I58 HydrophobicContact CE1-CG1 4.21Å; I58-C60 WeakPolarHBondContact CG2-O 3.41Å; I58-Q63 HydrophobicContact CG2-CB 4.18Å; I58-L64 HydrophobicContact CD1-CD2 3.79Å; I58-I84 HydrophobicContact CG2-CD1 3.77Å; I58-I84 HydrophobicContact CG2-CG1 4.37Å; I58-I84 WeakPolarHBondContact O-CG2 3.32Å
59V90.1Very high92.6Very high25 Ų2560.1 Ų60.115%0.15231%0.307CS..  trans-101.5-18.7-178.3-60.80000113.1P57 P97P57-V59 PolarHBondContact O-N 2.93Å; V59-P97 WeakPolarHBondContact O-CA 3.25Å; V59-P97 WeakPolarHBondContact O-CB 3.24Å
60C89.6Confident92.5Very high4 Ų460.3 Ų60.33%0.02731%0.308CS..SBendtrans-145.9155.6171.680.80000112.4I58 F62 Q63 Y95 D101I58-C60 WeakPolarHBondContact CG2-O 3.41Å; C60-F62 PolarHBondContact O-N 3.16Å; C60-Q63 WeakPolarHBondContact O-CB 3.25Å; C60-Q63 PolarHBondContact O-N 3.48Å; C60-Y95 WeakPolarHBondContact SG-CD1 3.39Å; C60-D101 WeakPolarHBondContact CA-OD2 3.31Å
61R92Very high92.4Very high0 Ų060.6 Ų60.60%032%0.316CS..G310 helixtrans-61-31.6-178.2-75176.4177.5164.7-4.7112.6Q63 L64 F75 S79 V82 I84 D101 T103 I105 P107 Y110R61-Q63 PolarHBondContact O-N 2.94Å; R61-L64 WeakPolarHBondContact O-CB 3.32Å; R61-L64 WeakPolarHBondContact O-CG 3.4Å; R61-L64 PolarHBondContact O-N 3.28Å; R61-F75 HydrophobicContact CB-CE2 4.29Å; R61-F75 HydrophobicContact CB-CZ 4.42Å; R61-F75 WeakPolarHBondContact O-CE2 3.35Å; R61-S79 PolarHBondContact NE-O 2.89Å; R61-S79 VanDerWaalsContact NE-O 3.11Å; R61-S79 PolarHBondContact NH1-O 2.8Å; R61-S79 PolarHBondContact NH2-O 2.79Å; R61-V82 PolarHBondContact NE-O 3.2Å; R61-V82 PolarHBondContact NH2-O 3.21Å; R61-I84 HydrophobicContact CB-CD1 4.41Å; R61-I84 HydrophobicContact CG-CD1 3.78Å; R61-I84 VanDerWaalsContact N-CD1 3.25Å; R61-D101 WeakPolarHBondContact CD-OD1 3.13Å; R61-D101 HydrophobicContact CG-CB 4.43Å; R61-D101 WeakPolarHBondContact CG-OD1 3.34Å; R61-D101 IonicContact NE-OD1 3.25Å; R61-D101 PolarHBondContact NH2-O 2.87Å; R61-T103 PolarHBondContact NH2-O 2.51Å; R61-I105 PolarHBondContact NH1-O 3.25Å; R61-P107 HydrophobicContact CB-CG 4.25Å; R61-Y110 PolarHBondContact NH1-OH 3.39Å
62F90.9Very high92.3Very high92 Ų9266.7 Ų66.740%0.40435%0.345SS..G310 helixtrans-64.3-23.4-178.6-61.1-72.9000113.6C60 L64 K65 F75 P107C60-F62 PolarHBondContact O-N 3.16Å; F62-L64 PolarHBondContact O-N 2.88Å; F62-K65 HydrophobicContact CD1-CD 4.45Å; F62-K65 VanDerWaalsContact O-CB 3.31Å; F62-K65 WeakPolarHBondContact O-CB 3.46Å; F62-K65 PolarHBondContact O-N 3.06Å; F62-F75 HydrophobicContact CD1-CZ 4.45Å; F62-P107 HydrophobicContact CE1-CB 4.36Å; F62-P107 HydrophobicContact CZ-CB 3.99Å
63Q91.1Very high92.4Very high14 Ų1470.6 Ų70.67%0.06537%0.365CS..G310 helixtrans-62.6-25.5171.4-72.6173.5-83.800112.7F51 I58 C60 R61 K65 C66 Y95F51-Q63 HydrophobicContact CE1-CB 4.11Å; F51-Q63 HydrophobicContact CZ-CB 4.23Å; I58-Q63 HydrophobicContact CG2-CB 4.18Å; C60-Q63 WeakPolarHBondContact O-CB 3.25Å; C60-Q63 PolarHBondContact O-N 3.48Å; R61-Q63 PolarHBondContact O-N 2.94Å; Q63-K65 PolarHBondContact O-N 3.17Å; Q63-C66 VanDerWaalsContact O-CB 3.32Å; Q63-C66 WeakPolarHBondContact O-CB 3.27Å; Q63-C66 PolarHBondContact O-N 3.33Å; Q63-Y95 HydrophobicContact CG-CD1 3.58Å; Q63-Y95 HydrophobicContact CG-CD2 3.77Å; Q63-Y95 HydrophobicContact CG-CE1 3.67Å; Q63-Y95 HydrophobicContact CG-CE2 3.89Å; Q63-Y95 HydrophobicContact CG-CG 3.61Å
64L92.9Very high92.5Very high3 Ų363 Ų632%0.01634%0.339CS..G310 helixtrans-61.4-29.9174.6-64.2173.9000111.7V26 V48 I58 R61 F62 C66 V67 L70 F75 V82V26-L64 HydrophobicContact CG2-CD2 4.16Å; V48-L64 HydrophobicContact CG1-CD2 4.2Å; V48-L64 HydrophobicContact CG2-CD2 4.36Å; I58-L64 HydrophobicContact CD1-CD2 3.79Å; R61-L64 WeakPolarHBondContact O-CB 3.32Å; R61-L64 WeakPolarHBondContact O-CG 3.4Å; R61-L64 PolarHBondContact O-N 3.28Å; F62-L64 PolarHBondContact O-N 2.88Å; L64-C66 PolarHBondContact O-N 3.34Å; L64-V67 HydrophobicContact CD2-CG2 4.38Å; L64-V67 VanDerWaalsContact O-CB 3.24Å; L64-V67 WeakPolarHBondContact O-CB 3.42Å; L64-V67 WeakPolarHBondContact O-CG2 3.37Å; L64-V67 PolarHBondContact O-N 3.24Å; L64-L70 HydrophobicContact CB-CD2 3.8Å; L64-L70 WeakPolarHBondContact O-CD2 3.46Å; L64-F75 HydrophobicContact CB-CD2 3.84Å; L64-F75 HydrophobicContact CB-CE2 4.04Å; L64-F75 HydrophobicContact CD1-CE2 4.39Å; L64-V82 HydrophobicContact CD1-CB 4.43Å; L64-V82 HydrophobicContact CD1-CG1 4.05Å; L64-V82 HydrophobicContact CD1-CG2 4.42Å
65K93.5Very high92.6Very high102 Ų10255.8 Ų55.844%0.44331%0.307SS..G310 helixtrans-64.1-21.1174.9-60.8-172.7173.5-1680112.7F62 Q63 V67 F75F62-K65 HydrophobicContact CD1-CD 4.45Å; F62-K65 VanDerWaalsContact O-CB 3.31Å; F62-K65 WeakPolarHBondContact O-CB 3.46Å; F62-K65 PolarHBondContact O-N 3.06Å; Q63-K65 PolarHBondContact O-N 3.17Å; K65-V67 VanDerWaalsContact C-N 3.32Å; K65-F75 HydrophobicContact CD-CD1 4.32Å; K65-F75 HydrophobicContact CD-CE1 4.27Å; K65-F75 HydrophobicContact CG-CD1 4.01Å; K65-F75 HydrophobicContact CG-CD2 3.94Å; K65-F75 HydrophobicContact CG-CE1 4.19Å; K65-F75 HydrophobicContact CG-CE2 4.12Å; K65-F75 HydrophobicContact CG-CG 3.88Å; K65-F75 HydrophobicContact CG-CZ 4.23Å
66C92.3Very high92.9Very high69 Ų6956.4 Ų56.447%0.46631%0.305SS..G310 helixtrans-84.8-5.7175.3-570000112.9F51 Q63 L64 K68 Y95F51-C66 HydrophobicContact CE2-CB 3.74Å; F51-C66 HydrophobicContact CZ-CB 4.09Å; Q63-C66 VanDerWaalsContact O-CB 3.32Å; Q63-C66 WeakPolarHBondContact O-CB 3.27Å; Q63-C66 PolarHBondContact O-N 3.33Å; L64-C66 PolarHBondContact O-N 3.34Å; C66-K68 PolarHBondContact O-N 2.71Å; C66-Y95 PolarHBondContact SG-OH 3.35Å; C66-Y95 VanDerWaalsContact SG-OH 3.4Å
67V94.7Very high93.1Very high3 Ų358.9 Ų58.92%0.01831%0.311CS..SBendtrans-72.8119.5177.7178.60000109.4A47 V48 F51 L64 K65 G69 L70A47-V67 HydrophobicContact CB-CG1 3.67Å; V48-V67 HydrophobicContact CG2-CG1 3.99Å; V48-V67 HydrophobicContact CG2-CG2 4.24Å; F51-V67 HydrophobicContact CB-CG2 3.81Å; F51-V67 HydrophobicContact CD1-CG2 4.06Å; F51-V67 HydrophobicContact CD2-CG2 4.01Å; F51-V67 HydrophobicContact CG-CG2 3.69Å; L64-V67 HydrophobicContact CD2-CG2 4.38Å; L64-V67 VanDerWaalsContact O-CB 3.24Å; L64-V67 WeakPolarHBondContact O-CB 3.42Å; L64-V67 WeakPolarHBondContact O-CG2 3.37Å; L64-V67 PolarHBondContact O-N 3.24Å; K65-V67 VanDerWaalsContact C-N 3.32Å; V67-G69 PolarHBondContact O-N 3.29Å; V67-L70 HydrophobicContact CB-CB 4.1Å; V67-L70 HydrophobicContact CG1-CB 4.38Å; V67-L70 WeakPolarHBondContact O-CB 3.24Å; V67-L70 PolarHBondContact O-N 2.93Å
68K93.9Very high93.2Very high193 Ų19354.7 Ų54.784%0.83928%0.283SS*.THydrogen-bonded Turntrans-58.2122.2-179.8-174.8176.7-179.4176.50111.1A47 C66A47-K68 WeakPolarHBondContact CB-O 3.45Å; C66-K68 PolarHBondContact O-N 2.71Å
69G92.7Very high93.3Very high60 Ų6054.7 Ų54.762%0.61928%0.283SS*.THydrogen-bonded Turntrans90-5.3178.200000114.6T44 V67 S71T44-G69 WeakPolarHBondContact CG2-O 3.17Å; V67-G69 PolarHBondContact O-N 3.29Å; G69-S71 PolarHBondContact O-N 3.38Å
70L94.5Very high93.5Very high17 Ų1754.2 Ų54.29%0.08928%0.283CS..  trans-79.9111.1166.8-166.177.5000108.5L40 L64 V67 A74 F75L40-L70 HydrophobicContact CD2-CD1 3.36Å; L64-L70 HydrophobicContact CB-CD2 3.8Å; L64-L70 WeakPolarHBondContact O-CD2 3.46Å; V67-L70 HydrophobicContact CB-CB 4.1Å; V67-L70 HydrophobicContact CG1-CB 4.38Å; V67-L70 WeakPolarHBondContact O-CB 3.24Å; V67-L70 PolarHBondContact O-N 2.93Å; L70-A74 HydrophobicContact CD1-CB 3.82Å; L70-A74 HydrophobicContact CG-CB 4.26Å; L70-F75 HydrophobicContact CD2-CB 3.99Å; L70-F75 HydrophobicContact CD2-CD2 4.31Å; L70-F75 HydrophobicContact CG-CB 4.42Å
71S94.2Very high93.7Very high64 Ų6456.3 Ų56.345%0.44829%0.292SS..  trans-74.5162.7175.967.30000111.2G69 H73 A74 F75G69-S71 PolarHBondContact O-N 3.38Å; S71-H73 VanDerWaalsContact C-N 3.25Å; S71-H73 PolarHBondContact O-N 3.04Å; S71-A74 PolarHBondContact O-N 2.75Å; S71-A74 WeakPolarHBondContact OG-CB 3.46Å; S71-A74 PolarHBondContact OG-N 3.3Å; S71-F75 WeakPolarHBondContact O-CB 3.13Å; S71-F75 PolarHBondContact O-N 2.8Å
72E94.1Very high93.9Very high153 Ų15356.4 Ų56.472%0.71529%0.293SS*.Hα-helixtrans-59.7-38.1174-177.4166.3-154.700112.2F75 K76E72-F75 PolarHBondContact O-N 2.65Å; E72-K76 WeakPolarHBondContact O-CB 3.38Å; E72-K76 PolarHBondContact O-N 3.45Å
73H94.4Very high94Very high136 Ų13652.7 Ų52.763%0.6328%0.276SS*.Hα-helixtrans-63.6-46.2173.5-177.7-95.2000111.8S71 F75 K76 M77S71-H73 VanDerWaalsContact C-N 3.25Å; S71-H73 PolarHBondContact O-N 3.04Å; H73-F75 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.18Å; H73-K76 PolarHBondContact O-N 2.74Å; H73-M77 WeakPolarHBondContact O-CG 3.34Å; H73-M77 PolarHBondContact O-N 2.78Å
74A95Very high94.1Very high10 Ų1052.6 Ų52.68%0.08328%0.276CS..Hα-helixtrans-61.5-42.3176.700000111.5G39 L70 S71 M77 C78G39-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 HydrophobicContact CD1-CB 3.82Å; L70-A74 HydrophobicContact CG-CB 4.26Å; S71-A74 PolarHBondContact O-N 2.75Å; S71-A74 WeakPolarHBondContact OG-CB 3.46Å; S71-A74 PolarHBondContact OG-N 3.3Å; A74-M77 PolarHBondContact O-N 3.34Å; A74-C78 WeakPolarHBondContact O-CB 3.41Å; A74-C78 PolarHBondContact O-N 3.35Å; A74-C78 PolarHBondContact O-SG 3.37Å
75F96.1Very high93.8Very high10 Ų1057.4 Ų57.44%0.04430%0.298CS..Hα-helixtrans-58.7-48.5173.7170.9-99.8000111.9R61 F62 L64 K65 L70 S71 E72 H73 M77 C78 S79R61-F75 HydrophobicContact CB-CE2 4.29Å; R61-F75 HydrophobicContact CB-CZ 4.42Å; R61-F75 WeakPolarHBondContact O-CE2 3.35Å; F62-F75 HydrophobicContact CD1-CZ 4.45Å; L64-F75 HydrophobicContact CB-CD2 3.84Å; L64-F75 HydrophobicContact CB-CE2 4.04Å; L64-F75 HydrophobicContact CD1-CE2 4.39Å; K65-F75 HydrophobicContact CD-CD1 4.32Å; K65-F75 HydrophobicContact CD-CE1 4.27Å; K65-F75 HydrophobicContact CG-CD1 4.01Å; K65-F75 HydrophobicContact CG-CD2 3.94Å; K65-F75 HydrophobicContact CG-CE1 4.19Å; K65-F75 HydrophobicContact CG-CE2 4.12Å; K65-F75 HydrophobicContact CG-CG 3.88Å; K65-F75 HydrophobicContact CG-CZ 4.23Å; L70-F75 HydrophobicContact CD2-CB 3.99Å; L70-F75 HydrophobicContact CD2-CD2 4.31Å; L70-F75 HydrophobicContact CG-CB 4.42Å; S71-F75 WeakPolarHBondContact O-CB 3.13Å; S71-F75 PolarHBondContact O-N 2.8Å; E72-F75 PolarHBondContact O-N 2.65Å; H73-F75 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.18Å; F75-M77 VanDerWaalsContact C-N 3.33Å; F75-M77 PolarHBondContact O-N 2.91Å; F75-C78 PolarHBondContact O-N 2.91Å; F75-S79 WeakPolarHBondContact O-CB 3.19Å; F75-S79 PolarHBondContact O-N 2.96Å; F75-S79 PolarHBondContact O-OG 3.26Å
76K94.8Very high92.6Very high112 Ų11255.3 Ų55.349%0.48731%0.305SS..Hα-helixtrans-57.8-47.6177.5-174174.1-176.61700111E72 H73 H106 E108E72-K76 WeakPolarHBondContact O-CB 3.38Å; E72-K76 PolarHBondContact O-N 3.45Å; H73-K76 PolarHBondContact O-N 2.74Å; K76-H106 PolarHBondContact O-NE2 3.02Å; K76-E108 VanDerWaalsContact CE-OE2 3.31Å; K76-E108 WeakPolarHBondContact CE-OE2 3.17Å; K76-E108 IonicContact NZ-OE2 2.62Å; K76-E108 PolarHBondContact NZ-OE2 3.11Å
77M94.4Very high91Very high79 Ų7961.8 Ų61.839%0.38933%0.326SS..Hα-helixtrans-63.3-44.4179.2-67.7-62-65.100112.6T38 H73 A74 F75 F81T38-M77 HydrophobicContact CG2-CE 3.59Å; T38-M77 CarbonylContact O-C 3.19Å; H73-M77 WeakPolarHBondContact O-CG 3.34Å; H73-M77 PolarHBondContact O-N 2.78Å; A74-M77 PolarHBondContact O-N 3.34Å; F75-M77 VanDerWaalsContact C-N 3.33Å; F75-M77 PolarHBondContact O-N 2.91Å; M77-F81 VanDerWaalsContact O-CD2 3.28Å; M77-F81 WeakPolarHBondContact O-CD2 3.45Å; M77-F81 VanDerWaalsContact O-CE2 3.28Å; M77-F81 WeakPolarHBondContact O-CE2 3.01Å
78C94.8Very high89.1Confident2 Ų267.6 Ų67.61%0.01435%0.353CS..Hα-helixtrans-83.4-26-172.476.30000113.8V37 T38 L40 A74 F75 G80 F81 V82V37-C78 HydrophobicContact CG1-CB 3.8Å; T38-C78 VanDerWaalsContact O-CA 3.25Å; T38-C78 WeakPolarHBondContact O-CA 3.48Å; T38-C78 WeakPolarHBondContact O-CB 3.19Å; T38-C78 PolarHBondContact O-N 3Å; L40-C78 HydrophobicContact CD1-CB 4.49Å; L40-C78 HydrophobicContact CD2-CB 3.99Å; L40-C78 HydrophobicContact CG-CB 3.95Å; A74-C78 WeakPolarHBondContact O-CB 3.41Å; A74-C78 PolarHBondContact O-N 3.35Å; A74-C78 PolarHBondContact O-SG 3.37Å; F75-C78 PolarHBondContact O-N 2.91Å; C78-G80 PolarHBondContact O-N 3.43Å; C78-G80 VanDerWaalsContact O-N 3.16Å; C78-F81 PolarHBondContact O-N 3.46Å; C78-V82 PolarHBondContact O-N 3.19Å; C78-V82 VanDerWaalsContact O-N 3.08Å
79S94.2Very high87.3Confident0 Ų062.2 Ų62.20%033%0.333CS..Hα-helixtrans-67.1-21.8-169.876.60000113.8R61 F75 F81 H106 P107R61-S79 PolarHBondContact NE-O 2.89Å; R61-S79 VanDerWaalsContact NE-O 3.11Å; R61-S79 PolarHBondContact NH1-O 2.8Å; R61-S79 PolarHBondContact NH2-O 2.79Å; F75-S79 WeakPolarHBondContact O-CB 3.19Å; F75-S79 PolarHBondContact O-N 2.96Å; F75-S79 PolarHBondContact O-OG 3.26Å; S79-F81 VanDerWaalsContact C-N 3.28Å; S79-F81 PolarHBondContact O-N 3.04Å; S79-H106 PolarHBondContact OG-CD2 3.46Å; S79-H106 PolarHBondContact OG-NE2 3.29Å; S79-P107 WeakPolarHBondContact OG-CD 3.49Å
80G93Very high85.4Confident15 Ų1566.5 Ų66.516%0.15534%0.341CS..THydrogen-bonded Turntrans-72.4-16.3171.400000114.5C78 R83C78-G80 PolarHBondContact O-N 3.43Å; C78-G80 VanDerWaalsContact O-N 3.16Å; G80-R83 PolarHBondContact O-NH1 2.94Å; G80-R83 PolarHBondContact O-NH2 3.26Å; G80-R83 VanDerWaalsContact O-NH2 3.1Å
81F94.9Very high83.4Confident49 Ų4970.1 Ų70.122%0.21537%0.368CS..THydrogen-bonded Turntrans-110.9-18.4-178.1-54.6-70.3000112.8S20 G23 V24 V37 T38 M77 C78 S79 R83S20-F81 WeakPolarHBondContact O-CD1 3.35Å; S20-F81 WeakPolarHBondContact O-CE1 3.21Å; G23-F81 CarbonylContact C-O 3.51Å; G23-F81 WeakPolarHBondContact CA-O 3.46Å; V24-F81 PolarHBondContact N-O 3.49Å; V37-F81 HydrophobicContact CG1-CB 3.89Å; V37-F81 HydrophobicContact CG1-CD2 4.46Å; T38-F81 HydrophobicContact CG2-CE2 4.47Å; M77-F81 VanDerWaalsContact O-CD2 3.28Å; M77-F81 WeakPolarHBondContact O-CD2 3.45Å; M77-F81 VanDerWaalsContact O-CE2 3.28Å; M77-F81 WeakPolarHBondContact O-CE2 3.01Å; C78-F81 PolarHBondContact O-N 3.46Å; S79-F81 VanDerWaalsContact C-N 3.28Å; S79-F81 PolarHBondContact O-N 3.04Å; F81-R83 VanDerWaalsContact C-NH1 3.33Å
82V94.8Very high81.7Confident1 Ų170.1 Ų70.11%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-79.6130.2174.7166.80000110.4V26 R61 L64 C78 I84V26-V82 HydrophobicContact CB-CG1 3.56Å; V26-V82 HydrophobicContact CG1-CG1 3.77Å; V26-V82 HydrophobicContact CG2-CG1 4.15Å; R61-V82 PolarHBondContact NE-O 3.2Å; R61-V82 PolarHBondContact NH2-O 3.21Å; L64-V82 HydrophobicContact CD1-CB 4.43Å; L64-V82 HydrophobicContact CD1-CG1 4.05Å; L64-V82 HydrophobicContact CD1-CG2 4.42Å; C78-V82 PolarHBondContact O-N 3.19Å; C78-V82 VanDerWaalsContact O-N 3.08Å; V82-I84 HydrophobicContact CG1-CG1 4.38Å
83R94.4Very high80.2Confident14 Ų1468.2 Ų68.25%0.05338%0.376CS..EExtended strand (participates in β ladder)trans-109.1142.9171.5-51.7-65.9170.4-101.2-1.9109.1V22 V24 D25 V26 G80 F81 D101 T103 S104V22-R83 PolarHBondContact O-NE 3.27Å; V22-R83 PolarHBondContact O-NH2 3.41Å; V24-R83 PolarHBondContact O-N 3.07Å; D25-R83 WeakPolarHBondContact CA-O 3.32Å; V26-R83 PolarHBondContact N-O 3.46Å; G80-R83 PolarHBondContact O-NH1 2.94Å; G80-R83 PolarHBondContact O-NH2 3.26Å; G80-R83 VanDerWaalsContact O-NH2 3.1Å; F81-R83 VanDerWaalsContact C-NH1 3.33Å; R83-D101 WeakPolarHBondContact CA-O 3.39Å; R83-T103 PolarHBondContact NH1-O 2.88Å; R83-S104 PolarHBondContact NH2-OG 2.84Å
84I93.3Very high78.9Confident12 Ų1265.5 Ų65.56%0.06238%0.377CS..  trans-121.5101.3172.5-62.1168.2000107.1V26 I58 R61 V82 D101V26-I84 HydrophobicContact CG1-CD1 4.46Å; V26-I84 HydrophobicContact CG1-CG1 3.67Å; I58-I84 HydrophobicContact CG2-CD1 3.77Å; I58-I84 HydrophobicContact CG2-CG1 4.37Å; I58-I84 WeakPolarHBondContact O-CG2 3.32Å; R61-I84 HydrophobicContact CB-CD1 4.41Å; R61-I84 HydrophobicContact CG-CD1 3.78Å; R61-I84 VanDerWaalsContact N-CD1 3.25Å; V82-I84 HydrophobicContact CG1-CG1 4.38Å; I84-D101 HydrophobicContact CB-CB 4.11Å; I84-D101 HydrophobicContact CD1-CB 4.35Å; I84-D101 PolarHBondContact N-O 3.03Å
85H85.8Confident77.8Confident104 Ų10468.5 Ų68.548%0.48139%0.387SS..  trans-94.7115.4169.5-50.6101.6000107.6D25D25-H85 IonicContact OD2-CE1 3.63Å; D25-H85 IonicContact OD2-CG 3.85Å; D25-H85 IonicContact OD2-ND1 3.9Å; D25-H85 PolarHBondContact OD2-ND1 2.99Å
86G68.6Low76.9Confident58 Ų5877.6 Ų77.660%0.59842%0.421SS*.  trans-164.8140.2-178.100000110.4
87K58.7Low76.2Confident206 Ų20673.6 Ų73.690%0.89641%0.407SS*.  trans-64.5141.5167.3-70-177.2-179.9179.80107.6D89K87-D89 VanDerWaalsContact C-N 3.3Å; K87-D89 PolarHBondContact O-N 3.41Å
88Q54.5Low75.8Confident125 Ų12571.3 Ų71.358%0.58440%0.396SS*.  trans-56.993.7176.7-179.4170.18.400109.4N90 P97Q88-N90 VanDerWaalsContact C-N 3.31Å; Q88-N90 PolarHBondContact O-N 3.17Å; Q88-P97 HydrophobicContact CB-CG 3.92Å; Q88-P97 HydrophobicContact CG-CG 3.65Å
89D56.2Low75.5Confident80 Ų8076.5 Ų76.543%0.42843%0.43SS..  trans-76.696.6168.5-172.28.5000106.8K87 S91K87-D89 VanDerWaalsContact C-N 3.3Å; K87-D89 PolarHBondContact O-N 3.41Å; D89-S91 VanDerWaalsContact CG-CB 3.44Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-S91 WeakPolarHBondContact OD1-CB 3.38Å; D89-S91 PolarHBondContact OD1-N 3.05Å; D89-S91 WeakPolarHBondContact OD2-CB 3.26Å
90N52.7Low75.4Confident149 Ų14977.7 Ų77.780%0.79744%0.436SS*.THydrogen-bonded Turntrans-58.8-1.4170.944.9-33.7000113.1Q88 T92Q88-N90 VanDerWaalsContact C-N 3.31Å; Q88-N90 PolarHBondContact O-N 3.17Å; N90-T92 VanDerWaalsContact C-N 3.28Å; N90-T92 PolarHBondContact O-N 3.42Å
91S53.7Low75.4Confident93 Ų9377.1 Ų77.165%0.6543%0.429SS*.THydrogen-bonded Turntrans-67.2-14.6179.4-174.10000115.3D89D89-S91 VanDerWaalsContact CG-CB 3.44Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-S91 WeakPolarHBondContact OD1-CB 3.38Å; D89-S91 PolarHBondContact OD1-N 3.05Å; D89-S91 WeakPolarHBondContact OD2-CB 3.26Å
92T57.5Low75.2Confident65 Ų6576.9 Ų76.940%0.39944%0.436SS..  trans-134103.4-176.3-21.20000113N90 A94 Y95N90-T92 VanDerWaalsContact C-N 3.28Å; N90-T92 PolarHBondContact O-N 3.42Å; T92-A94 HydrophobicContact CG2-CB 4.48Å; T92-A94 PolarHBondContact O-N 2.97Å; T92-A94 VanDerWaalsContact O-N 3.14Å; T92-Y95 PolarHBondContact O-N 2.98Å
93A62.1Low75Confident112 Ų11279 Ų7993%0.92645%0.449SS*.THydrogen-bonded Turntrans-59.9-24.1177.400000113.5
94A67.8Low74.9Confident79 Ų7982.2 Ų82.265%0.65347%0.474SS*.THydrogen-bonded Turntrans-72.9-30.8-179.300000113.5T92T92-A94 HydrophobicContact CG2-CB 4.48Å; T92-A94 PolarHBondContact O-N 2.97Å; T92-A94 VanDerWaalsContact O-N 3.14Å
95Y71Confident74.8Confident74 Ų7484.3 Ų84.329%0.2949%0.485SS..SBendtrans-127.488.8-175.6-62.9-64.2000109.5C60 Q63 C66 T92C60-Y95 WeakPolarHBondContact SG-CD1 3.39Å; Q63-Y95 HydrophobicContact CG-CD1 3.58Å; Q63-Y95 HydrophobicContact CG-CD2 3.77Å; Q63-Y95 HydrophobicContact CG-CE1 3.67Å; Q63-Y95 HydrophobicContact CG-CE2 3.89Å; Q63-Y95 HydrophobicContact CG-CG 3.61Å; C66-Y95 PolarHBondContact SG-OH 3.35Å; C66-Y95 VanDerWaalsContact SG-OH 3.4Å; T92-Y95 PolarHBondContact O-N 2.98Å
96R77.5Confident75.1Confident200 Ų20080.9 Ų80.976%0.75547%0.469SS*.PPolyproline II helixtrans-79125.2174.2-165.8176.7-175-1362.9109N98R96-N98 PolarHBondContact O-N 3.4Å
97P79.6Confident76.2Confident29 Ų2978.7 Ų78.719%0.18844%0.444CS..PPolyproline II helixtrans-64134.6174.125-30.9000109.3V59 Q88V59-P97 WeakPolarHBondContact O-CA 3.25Å; V59-P97 WeakPolarHBondContact O-CB 3.24Å; Q88-P97 HydrophobicContact CB-CG 3.92Å; Q88-P97 HydrophobicContact CG-CG 3.65Å
98N87.2Confident77.7Confident30 Ų3074.3 Ų74.316%0.1643%0.427CS..PPolyproline II helixtrans-102.3127.8173.2-168.5-47.1000108.5R96 L100 D101 Y110 E114R96-N98 PolarHBondContact O-N 3.4Å; N98-L100 PolarHBondContact O-N 3.14Å; N98-L100 VanDerWaalsContact OD1-CB 3.25Å; N98-L100 WeakPolarHBondContact OD1-CB 3.4Å; N98-L100 VanDerWaalsContact OD1-CG 3.26Å; N98-L100 WeakPolarHBondContact OD1-CG 3.22Å; N98-L100 PolarHBondContact OD1-N 3.41Å; N98-D101 PolarHBondContact N-OD2 3.2Å; N98-D101 VanDerWaalsContact O-CB 3.24Å; N98-D101 WeakPolarHBondContact O-CB 3.4Å; N98-D101 PolarHBondContact O-N 2.97Å; N98-Y110 HydrophobicContact CB-CD2 4.38Å; N98-Y110 HydrophobicContact CB-CE2 3.99Å; N98-Y110 WeakPolarHBondContact ND2-CD2 3.44Å; N98-E114 PolarHBondContact ND2-OE1 3.2Å; N98-E114 VanDerWaalsContact ND2-OE1 3.17Å
99P88.4Confident79.4Confident112 Ų11270.2 Ų70.273%0.72741%0.412SS*.G310 helixtrans-51.8-28.8175-27.235.1000113.9D101 A102P99-D101 VanDerWaalsContact C-N 3.25Å; P99-D101 PolarHBondContact O-N 2.7Å; P99-A102 PolarHBondContact O-N 3.37Å
100L91.5Very high81Confident25 Ų2567 Ų6713%0.13139%0.393CS..G310 helixtrans-70-17.7177-55180000113.3N98 A102 T103 I105 Y110 V113N98-L100 PolarHBondContact O-N 3.14Å; N98-L100 VanDerWaalsContact OD1-CB 3.25Å; N98-L100 WeakPolarHBondContact OD1-CB 3.4Å; N98-L100 VanDerWaalsContact OD1-CG 3.26Å; N98-L100 WeakPolarHBondContact OD1-CG 3.22Å; N98-L100 PolarHBondContact OD1-N 3.41Å; L100-A102 PolarHBondContact O-N 2.85Å; L100-T103 WeakPolarHBondContact O-CB 3.47Å; L100-T103 PolarHBondContact O-N 3.43Å; L100-T103 PolarHBondContact O-OG1 3.04Å; L100-I105 HydrophobicContact CD1-CG2 4.49Å; L100-I105 HydrophobicContact CD2-CD1 3.81Å; L100-Y110 HydrophobicContact CB-CD1 3.8Å; L100-Y110 HydrophobicContact CB-CE1 3.42Å; L100-Y110 VanDerWaalsContact CB-CE1 3.42Å; L100-Y110 HydrophobicContact CD1-CD1 3.53Å; L100-Y110 HydrophobicContact CD1-CE1 4.09Å; L100-Y110 HydrophobicContact CD1-CG 3.96Å; L100-Y110 HydrophobicContact CG-CD1 4.32Å; L100-Y110 HydrophobicContact CG-CE1 4.41Å; L100-V113 HydrophobicContact CD1-CB 3.96Å; L100-V113 HydrophobicContact CD1-CG1 3.98Å; L100-V113 HydrophobicContact CD2-CG1 3.99Å
101D92.3Very high82.7Confident3 Ų364 Ų642%0.01638%0.383CS..G310 helixtrans-64.6-21174.7-69.5-31.8000112.4C60 R61 R83 I84 N98 P99 T103 Y110C60-D101 WeakPolarHBondContact CA-OD2 3.31Å; R61-D101 WeakPolarHBondContact CD-OD1 3.13Å; R61-D101 HydrophobicContact CG-CB 4.43Å; R61-D101 WeakPolarHBondContact CG-OD1 3.34Å; R61-D101 IonicContact NE-OD1 3.25Å; R61-D101 PolarHBondContact NH2-O 2.87Å; R83-D101 WeakPolarHBondContact CA-O 3.39Å; I84-D101 HydrophobicContact CB-CB 4.11Å; I84-D101 HydrophobicContact CD1-CB 4.35Å; I84-D101 PolarHBondContact N-O 3.03Å; N98-D101 PolarHBondContact N-OD2 3.2Å; N98-D101 VanDerWaalsContact O-CB 3.24Å; N98-D101 WeakPolarHBondContact O-CB 3.4Å; N98-D101 PolarHBondContact O-N 2.97Å; P99-D101 VanDerWaalsContact C-N 3.25Å; P99-D101 PolarHBondContact O-N 2.7Å; D101-T103 VanDerWaalsContact C-N 3.28Å; D101-Y110 WeakPolarHBondContact CA-OH 3.45Å; D101-Y110 PolarHBondContact N-OH 3.33Å; D101-Y110 WeakPolarHBondContact OD1-CE2 3.44Å; D101-Y110 PolarHBondContact OD1-OH 2.96Å
102A91.3Very high84.3Confident43 Ų4365.3 Ų65.336%0.35538%0.381SS..G310 helixtrans-83.3-1.9172.400000113.3P99 L100P99-A102 PolarHBondContact O-N 3.37Å; L100-A102 PolarHBondContact O-N 2.85Å
103T91.8Very high85.4Confident47 Ų4765.6 Ų65.629%0.28838%0.382SS..SBendtrans-114173.2-175.377.70000112R61 R83 L100 D101 I105R61-T103 PolarHBondContact NH2-O 2.51Å; R83-T103 PolarHBondContact NH1-O 2.88Å; L100-T103 WeakPolarHBondContact O-CB 3.47Å; L100-T103 PolarHBondContact O-N 3.43Å; L100-T103 PolarHBondContact O-OG1 3.04Å; D101-T103 VanDerWaalsContact C-N 3.28Å; T103-I105 PolarHBondContact O-N 3.2Å; T103-I105 WeakPolarHBondContact OG1-CB 3.49Å; T103-I105 PolarHBondContact OG1-N 2.95Å; T103-I105 VanDerWaalsContact OG1-N 3.14Å
104S90.7Very high85.9Confident81 Ų8166.8 Ų66.857%0.56637%0.369SS*.SBendtrans-76.9-3.2172.1-50.20000114R83 H106R83-S104 PolarHBondContact NH2-OG 2.84Å; S104-H106 PolarHBondContact O-N 2.83Å
105I92.4Very high85.4Confident56 Ų5676.2 Ų76.229%0.28739%0.387SS..  trans-67.7125.3-179.7-64.8162.3000108.5R61 L100 T103 Y110 V113R61-I105 PolarHBondContact NH1-O 3.25Å; L100-I105 HydrophobicContact CD1-CG2 4.49Å; L100-I105 HydrophobicContact CD2-CD1 3.81Å; T103-I105 PolarHBondContact O-N 3.2Å; T103-I105 WeakPolarHBondContact OG1-CB 3.49Å; T103-I105 PolarHBondContact OG1-N 2.95Å; T103-I105 VanDerWaalsContact OG1-N 3.14Å; I105-Y110 HydrophobicContact CB-CE1 4.49Å; I105-Y110 HydrophobicContact CG2-CD1 3.94Å; I105-Y110 HydrophobicContact CG2-CE1 4.06Å; I105-Y110 WeakPolarHBondContact O-CE1 3.31Å; I105-V113 HydrophobicContact CD1-CG1 4.41Å; I105-V113 HydrophobicContact CD1-CG2 4.25Å; I105-V113 HydrophobicContact CG2-CG2 4.15Å
106H92.2Very high86.1Confident31 Ų3176.3 Ų76.314%0.14439%0.392CS..  trans-74.3147-179.6-171.6-89000111.2K76 S79 S104 E108 S109 Y110K76-H106 PolarHBondContact O-NE2 3.02Å; S79-H106 PolarHBondContact OG-CD2 3.46Å; S79-H106 PolarHBondContact OG-NE2 3.29Å; S104-H106 PolarHBondContact O-N 2.83Å; H106-E108 HydrophobicContact CB-CG 4.35Å; H106-E108 IonicContact CE1-OE2 2.57Å; H106-E108 WeakPolarHBondContact ND1-CB 3.46Å; H106-E108 WeakPolarHBondContact ND1-CG 3.45Å; H106-E108 PolarHBondContact ND1-N 3.38Å; H106-E108 IonicContact ND1-OE1 3.4Å; H106-E108 IonicContact ND1-OE2 3.39Å; H106-E108 PolarHBondContact O-N 3.12Å; H106-S109 PolarHBondContact O-N 3.4Å; H106-Y110 WeakPolarHBondContact O-CD1 3.39Å
107P90.3Very high86.6Confident13 Ų1369.8 Ų69.88%0.08437%0.373CS..G310 helixtrans-55.5-26.1-179.6-2836.5000115.2R61 F62 S79 S109 Y110R61-P107 HydrophobicContact CB-CG 4.25Å; F62-P107 HydrophobicContact CE1-CB 4.36Å; F62-P107 HydrophobicContact CZ-CB 3.99Å; S79-P107 WeakPolarHBondContact OG-CD 3.49Å; P107-S109 PolarHBondContact O-N 3.14Å; P107-Y110 HydrophobicContact CB-CD2 4.3Å; P107-Y110 HydrophobicContact CB-CE2 4.03Å; P107-Y110 HydrophobicContact CG-CE2 4.27Å; P107-Y110 PolarHBondContact O-N 3.17Å
108E90.3Very high87Confident114 Ų11472.1 Ų72.153%0.53338%0.383SS..G310 helixtrans-64.8-20.4175.380.5-165.7163.100113.3K76 H106K76-E108 VanDerWaalsContact CE-OE2 3.31Å; K76-E108 WeakPolarHBondContact CE-OE2 3.17Å; K76-E108 IonicContact NZ-OE2 2.62Å; K76-E108 PolarHBondContact NZ-OE2 3.11Å; H106-E108 HydrophobicContact CB-CG 4.35Å; H106-E108 IonicContact CE1-OE2 2.57Å; H106-E108 WeakPolarHBondContact ND1-CB 3.46Å; H106-E108 WeakPolarHBondContact ND1-CG 3.45Å; H106-E108 PolarHBondContact ND1-N 3.38Å; H106-E108 IonicContact ND1-OE1 3.4Å; H106-E108 IonicContact ND1-OE2 3.39Å; H106-E108 PolarHBondContact O-N 3.12Å
109S90.9Very high87Confident38 Ų3874.5 Ų74.527%0.26640%0.397SS..G310 helixtrans-102-4.7-179.3-51.10000113.6H106 P107 P111 I112 V113H106-S109 PolarHBondContact O-N 3.4Å; P107-S109 PolarHBondContact O-N 3.14Å; S109-P111 VanDerWaalsContact C-CD 3.43Å; S109-P111 VanDerWaalsContact C-N 3.33Å; S109-I112 WeakPolarHBondContact O-CB 3.37Å; S109-I112 PolarHBondContact O-N 3.24Å; S109-V113 PolarHBondContact O-N 3.27Å
110Y90.4Very high86.9Confident12 Ų1272.2 Ų72.25%0.04738%0.376CS..Hα-helixtrans-53.9-43.9179.8-67.5-2.6000113.2R61 N98 L100 D101 I105 H106 P107 I112 V113 E114R61-Y110 PolarHBondContact NH1-OH 3.39Å; N98-Y110 HydrophobicContact CB-CD2 4.38Å; N98-Y110 HydrophobicContact CB-CE2 3.99Å; N98-Y110 WeakPolarHBondContact ND2-CD2 3.44Å; L100-Y110 HydrophobicContact CB-CD1 3.8Å; L100-Y110 HydrophobicContact CB-CE1 3.42Å; L100-Y110 VanDerWaalsContact CB-CE1 3.42Å; L100-Y110 HydrophobicContact CD1-CD1 3.53Å; L100-Y110 HydrophobicContact CD1-CE1 4.09Å; L100-Y110 HydrophobicContact CD1-CG 3.96Å; L100-Y110 HydrophobicContact CG-CD1 4.32Å; L100-Y110 HydrophobicContact CG-CE1 4.41Å; D101-Y110 WeakPolarHBondContact CA-OH 3.45Å; D101-Y110 PolarHBondContact N-OH 3.33Å; D101-Y110 WeakPolarHBondContact OD1-CE2 3.44Å; D101-Y110 PolarHBondContact OD1-OH 2.96Å; I105-Y110 HydrophobicContact CB-CE1 4.49Å; I105-Y110 HydrophobicContact CG2-CD1 3.94Å; I105-Y110 HydrophobicContact CG2-CE1 4.06Å; I105-Y110 WeakPolarHBondContact O-CE1 3.31Å; H106-Y110 WeakPolarHBondContact O-CD1 3.39Å; P107-Y110 HydrophobicContact CB-CD2 4.3Å; P107-Y110 HydrophobicContact CB-CE2 4.03Å; P107-Y110 HydrophobicContact CG-CE2 4.27Å; P107-Y110 PolarHBondContact O-N 3.17Å; Y110-I112 PolarHBondContact O-N 3.12Å; Y110-I112 VanDerWaalsContact O-N 3.12Å; Y110-V113 PolarHBondContact O-N 3.3Å; Y110-E114 PolarHBondContact O-N 3.22Å
111P87.1Confident86.6Confident88 Ų8875.3 Ų75.357%0.57139%0.392SS*.Hα-helixtrans-64.1-19.9178.5-21.834.6000114.1S109S109-P111 VanDerWaalsContact C-CD 3.43Å; S109-P111 VanDerWaalsContact C-N 3.33Å
112I87.5Confident86.2Confident120 Ų12080.5 Ų80.562%0.61542%0.419SS*.Hα-helixtrans-83.5-34.8-178.8-54.1171.4000110.2S109 Y110S109-I112 WeakPolarHBondContact O-CB 3.37Å; S109-I112 PolarHBondContact O-N 3.24Å; Y110-I112 PolarHBondContact O-N 3.12Å; Y110-I112 VanDerWaalsContact O-N 3.12Å
113V82.3Confident85.8Confident70 Ų7083.4 Ų83.442%0.42442%0.424SS..Hα-helixtrans-82-26.4-176.7178.80000112.3L100 I105 S109 Y110 R115L100-V113 HydrophobicContact CD1-CB 3.96Å; L100-V113 HydrophobicContact CD1-CG1 3.98Å; L100-V113 HydrophobicContact CD2-CG1 3.99Å; I105-V113 HydrophobicContact CD1-CG1 4.41Å; I105-V113 HydrophobicContact CD1-CG2 4.25Å; I105-V113 HydrophobicContact CG2-CG2 4.15Å; S109-V113 PolarHBondContact O-N 3.27Å; Y110-V113 PolarHBondContact O-N 3.3Å; V113-R115 PolarHBondContact O-N 3.3Å
114E71.5Confident85.3Confident137 Ų13786.4 Ų86.464%0.6444%0.435SS*.THydrogen-bonded Turntrans-77.94.5177.6-68.8179.6178.600113.9N98 Y110N98-E114 PolarHBondContact ND2-OE1 3.2Å; N98-E114 VanDerWaalsContact ND2-OE1 3.17Å; Y110-E114 PolarHBondContact O-N 3.22Å
115R57.6Low84.8Confident277 Ų27786.9 Ų86.9100%1.04542%0.423SS*.  trans-96.70176.8-66.6-171.572.2153.33.7112.4V113V113-R115 PolarHBondContact O-N 3.3Å

Retrieved 115 of 115 residues in 187.6 ms (Link to these results)

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