A0A087X944_POEFO Loading...

ETS transcription factor ELK4

AlphaFold DB , UniProt , Accession A0A087X944, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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
1M55.6Low87.1Confident198 Ų19864.2 Ų64.298%0.97534%0.342SS*.  0138.80-78.361.2176.300109.1
2D66.6Low87.7Confident77 Ų7759.9 Ų59.941%0.41232%0.319SS..  trans-66.8118172.154.4-62.2000111.3S4 V5 R48D2-S4 PolarHBondContact O-N 2.78Å; D2-V5 WeakPolarHBondContact OD2-CB 3.31Å; D2-R48 VanDerWaalsContact CG-NH2 3.27Å; D2-R48 PolarHBondContact O-NH1 3.07Å; D2-R48 IonicContact OD1-CZ 3.85Å; D2-R48 IonicContact OD1-NH1 3.2Å; D2-R48 PolarHBondContact OD1-NH1 3.25Å; D2-R48 IonicContact OD1-NH2 2.82Å; D2-R48 PolarHBondContact OD1-NH2 3.43Å; D2-R48 IonicContact OD2-CZ 3.08Å; D2-R48 IonicContact OD2-NH1 3.97Å; D2-R48 IonicContact OD2-NH2 3.99Å; D2-R48 PolarHBondContact OD2-NH2 2.72Å
3N75.5Confident88.3Confident129 Ų12963.8 Ų63.869%0.6933%0.334SS*.THydrogen-bonded Turntrans-78.3-8.3178.3-82-22000113.3K49N3-K49 PolarHBondContact O-NZ 3.19Å
4S87.7Confident88.8Confident100 Ų10060.6 Ų60.670%0.69932%0.317SS*.THydrogen-bonded Turntrans-76.4-20.9-178.443.80000114.5D2 T6D2-S4 PolarHBondContact O-N 2.78Å; S4-T6 PolarHBondContact O-N 2.93Å
5V93.5Very high89.3Confident9 Ų957.4 Ų57.46%0.05530%0.3CS..  trans-49.8135.6-176.168.40000113.3D2 Q9 F10 W45 R48 K49D2-V5 WeakPolarHBondContact OD2-CB 3.31Å; V5-Q9 HydrophobicContact CG2-CB 4.03Å; V5-F10 HydrophobicContact CG2-CB 4.18Å; V5-W45 HydrophobicContact CG1-CZ3 4.12Å; V5-R48 HydrophobicContact CG1-CG 3.98Å; V5-K49 HydrophobicContact CG1-CD 4.02Å; V5-K49 PolarHBondContact O-NZ 2.99Å
6T95.8Very high89.5Confident49 Ų4960.9 Ų60.930%0.30132%0.319SS..  trans-96.1161.7174.869.80000111.6S4 W8 Q9 F10S4-T6 PolarHBondContact O-N 2.93Å; T6-W8 VanDerWaalsContact C-N 3.32Å; T6-W8 PolarHBondContact O-N 3.21Å; T6-W8 PolarHBondContact OG1-NE1 3.31Å; T6-Q9 PolarHBondContact O-N 3.36Å; T6-Q9 PolarHBondContact OG1-OE1 2.87Å; T6-F10 PolarHBondContact O-N 3.17Å
7L97.1Very high89.7Confident3 Ų361.8 Ų61.82%0.01632%0.324CS..Hα-helixtrans-61.9-38.4-177.1174.364.5000112.3F10 L11 W45 L59 A62 L63 Y66L7-F10 HydrophobicContact CD1-CD1 4.23Å; L7-F10 PolarHBondContact O-N 2.97Å; L7-L11 HydrophobicContact CD1-CD1 3.91Å; L7-L11 HydrophobicContact CD1-CD2 4.37Å; L7-L11 HydrophobicContact CD1-CG 3.89Å; L7-L11 HydrophobicContact CD2-CD1 4.48Å; L7-L11 HydrophobicContact CG-CD1 3.86Å; L7-L11 HydrophobicContact CG-CG 4.28Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.09Å; L7-L11 PolarHBondContact O-N 3.41Å; L7-W45 HydrophobicContact CB-CH2 4.13Å; L7-W45 HydrophobicContact CB-CZ2 3.82Å; L7-W45 HydrophobicContact CD1-CD2 3.8Å; L7-W45 HydrophobicContact CD1-CE3 4.28Å; L7-W45 HydrophobicContact CD1-CG 3.92Å; L7-W45 HydrophobicContact CD1-CZ2 4.46Å; L7-L59 HydrophobicContact CD1-CD1 3.86Å; L7-L59 HydrophobicContact CD1-CD2 4.33Å; L7-L59 HydrophobicContact CD1-CG 3.84Å; L7-L59 HydrophobicContact CD2-CD2 4.1Å; L7-L59 HydrophobicContact CD2-CG 3.89Å; L7-A62 HydrophobicContact CD2-CB 3.6Å; L7-L63 HydrophobicContact CD2-CD2 4.19Å; L7-L63 HydrophobicContact CD2-CG 4.28Å; L7-Y66 HydrophobicContact CB-CE2 4.07Å; L7-Y66 HydrophobicContact CD2-CE2 4.25Å; L7-Y66 HydrophobicContact CG-CE2 4.3Å; L7-Y66 PolarHBondContact N-OH 3.17Å
8W96.4Very high89.7Confident51 Ų5163.1 Ų63.119%0.19334%0.339CS..Hα-helixtrans-66.8-40.3-179.476.3-99.4000112T6 L11 L12 Y66 I71 I72 F84T6-W8 VanDerWaalsContact C-N 3.32Å; T6-W8 PolarHBondContact O-N 3.21Å; T6-W8 PolarHBondContact OG1-NE1 3.31Å; W8-L11 PolarHBondContact O-N 3.18Å; W8-L12 HydrophobicContact CE3-CD2 4.46Å; W8-L12 HydrophobicContact CZ3-CD2 4.06Å; W8-L12 WeakPolarHBondContact O-CB 3.38Å; W8-L12 PolarHBondContact O-N 3.49Å; W8-Y66 HydrophobicContact CB-CD2 4.46Å; W8-Y66 HydrophobicContact CB-CE2 3.91Å; W8-Y66 AromaticContact CD1-CZ 3.95Å; W8-Y66 PolarHBondContact N-OH 2.71Å; W8-I71 HydrophobicContact CB-CG2 3.85Å; W8-I71 HydrophobicContact CD2-CG2 4.01Å; W8-I71 HydrophobicContact CG-CG2 3.67Å; W8-I72 HydrophobicContact CB-CD1 3.92Å; W8-F84 HydrophobicContact CB-CE1 4.22Å; W8-F84 HydrophobicContact CE3-CE1 4.24Å
9Q95.8Very high89.9Confident79 Ų7964.5 Ų64.537%0.36935%0.354SS..Hα-helixtrans-64.1-42.1173.9-70.6162.5-43.600111.6V5 T6 L12 Q13V5-Q9 HydrophobicContact CG2-CB 4.03Å; T6-Q9 PolarHBondContact O-N 3.36Å; T6-Q9 PolarHBondContact OG1-OE1 2.87Å; Q9-L12 PolarHBondContact O-N 3.01Å; Q9-Q13 WeakPolarHBondContact O-CB 3.46Å; Q9-Q13 PolarHBondContact O-N 2.72Å
10F96.5Very high90Very high11 Ų1162.3 Ų62.35%0.04834%0.342CS..Hα-helixtrans-64.2-42.8177.4169.4-99.7000112.7V5 T6 L7 Q13 L14 V41 L44 W45 R48V5-F10 HydrophobicContact CG2-CB 4.18Å; T6-F10 PolarHBondContact O-N 3.17Å; L7-F10 HydrophobicContact CD1-CD1 4.23Å; L7-F10 PolarHBondContact O-N 2.97Å; F10-Q13 PolarHBondContact O-N 3.17Å; F10-L14 HydrophobicContact CD1-CD1 4.3Å; F10-L14 HydrophobicContact CE1-CD1 3.57Å; F10-L14 HydrophobicContact CE1-CG 4.32Å; F10-L14 HydrophobicContact CE2-CD1 4.29Å; F10-L14 HydrophobicContact CE2-CG 4.29Å; F10-L14 HydrophobicContact CZ-CD1 3.56Å; F10-L14 HydrophobicContact CZ-CD2 4.41Å; F10-L14 HydrophobicContact CZ-CG 4.05Å; F10-L14 PolarHBondContact O-N 3.01Å; F10-V41 HydrophobicContact CE1-CG1 4.5Å; F10-L44 HydrophobicContact CZ-CB 3.82Å; F10-W45 HydrophobicContact CB-CE3 3.78Å; F10-W45 HydrophobicContact CB-CZ3 3.64Å; F10-W45 HydrophobicContact CD1-CB 4.12Å; F10-W45 HydrophobicContact CD1-CD2 4.17Å; F10-W45 AromaticContact CD1-CE3 3.52Å; F10-W45 HydrophobicContact CD1-CE3 3.52Å; F10-W45 HydrophobicContact CD1-CG 4.44Å; F10-W45 HydrophobicContact CD1-CZ3 4.29Å; F10-W45 HydrophobicContact CD2-CE3 4.11Å; F10-W45 HydrophobicContact CE1-CB 3.63Å; F10-W45 HydrophobicContact CE1-CE3 4.11Å; F10-W45 HydrophobicContact CE1-CG 4.41Å; F10-W45 AromaticContact CG-CE3 3.51Å; F10-W45 HydrophobicContact CG-CE3 3.51Å; F10-W45 AromaticContact CG-CZ3 3.9Å; F10-W45 HydrophobicContact CG-CZ3 3.9Å; F10-W45 HydrophobicContact CZ-CB 4.17Å; F10-R48 HydrophobicContact CD2-CB 4.23Å; F10-R48 HydrophobicContact CD2-CG 3.83Å; F10-R48 HydrophobicContact CE2-CB 4Å; F10-R48 HydrophobicContact CE2-CG 4.04Å
11L97.3Very high90.1Very high0 Ų065 Ų650%035%0.352CS..Hα-helixtrans-65.8-39.4175.7-68.3170.2000111.5L7 W8 L14 L15 I24 F33 V41 L63 I72L7-L11 HydrophobicContact CD1-CD1 3.91Å; L7-L11 HydrophobicContact CD1-CD2 4.37Å; L7-L11 HydrophobicContact CD1-CG 3.89Å; L7-L11 HydrophobicContact CD2-CD1 4.48Å; L7-L11 HydrophobicContact CG-CD1 3.86Å; L7-L11 HydrophobicContact CG-CG 4.28Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.09Å; L7-L11 PolarHBondContact O-N 3.41Å; W8-L11 PolarHBondContact O-N 3.18Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CD1 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.29Å; L11-I24 HydrophobicContact CB-CD1 4.44Å; L11-I24 HydrophobicContact CD2-CD1 3.75Å; L11-F33 HydrophobicContact CD1-CZ 4.47Å; L11-V41 HydrophobicContact CD2-CG1 3.51Å; L11-L63 HydrophobicContact CD1-CD2 3.7Å; L11-I72 HydrophobicContact CD1-CD1 4.45Å
12L95.3Very high92Very high13 Ų1365.4 Ų65.47%0.06834%0.343CS..Hα-helixtrans-64.2-39.8174.1-170.563.4000111.6W8 Q9 L15 L16 W26 F84 Y87 I90 L91W8-L12 HydrophobicContact CE3-CD2 4.46Å; W8-L12 HydrophobicContact CZ3-CD2 4.06Å; W8-L12 WeakPolarHBondContact O-CB 3.38Å; W8-L12 PolarHBondContact O-N 3.49Å; Q9-L12 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.15Å; L12-L16 HydrophobicContact CG-CD1 4.42Å; L12-L16 WeakPolarHBondContact O-CG 3.14Å; L12-L16 PolarHBondContact O-N 3.28Å; L12-L16 VanDerWaalsContact O-N 3.15Å; L12-W26 HydrophobicContact CD1-CH2 3.79Å; L12-W26 HydrophobicContact CD1-CZ2 3.9Å; L12-F84 HydrophobicContact CB-CZ 3.98Å; L12-F84 HydrophobicContact CD1-CE2 4.15Å; L12-F84 HydrophobicContact CD1-CZ 4.2Å; L12-Y87 HydrophobicContact CD1-CE2 4.34Å; L12-I90 HydrophobicContact CD1-CD1 4.35Å; L12-I90 HydrophobicContact CD2-CD1 4.06Å; L12-I90 HydrophobicContact CD2-CG1 4.39Å; L12-L91 HydrophobicContact CD1-CD2 4.17Å; L12-L91 HydrophobicContact CD2-CD2 4.03Å; L12-L91 HydrophobicContact CG-CD2 4.26Å
13Q94.6Very high93.4Very high111 Ų11162.9 Ų62.952%0.51933%0.329SS..Hα-helixtrans-62.5-45.4175.3-174.4179.26.500112Q9 F10 L15 L16Q9-Q13 WeakPolarHBondContact O-CB 3.46Å; Q9-Q13 PolarHBondContact O-N 2.72Å; F10-Q13 PolarHBondContact O-N 3.17Å; Q13-L15 VanDerWaalsContact C-N 3.26Å; Q13-L15 PolarHBondContact O-N 2.88Å; Q13-L16 PolarHBondContact O-N 3.08Å
14L96Very high94.5Very high18 Ų1856.8 Ų56.89%0.09430%0.297CS..Hα-helixtrans-62.7-33.5174.6-70.1177.7000112.3F10 L11 L16 D17 N20 I24 V41 L44F10-L14 HydrophobicContact CD1-CD1 4.3Å; F10-L14 HydrophobicContact CE1-CD1 3.57Å; F10-L14 HydrophobicContact CE1-CG 4.32Å; F10-L14 HydrophobicContact CE2-CD1 4.29Å; F10-L14 HydrophobicContact CE2-CG 4.29Å; F10-L14 HydrophobicContact CZ-CD1 3.56Å; F10-L14 HydrophobicContact CZ-CD2 4.41Å; F10-L14 HydrophobicContact CZ-CG 4.05Å; F10-L14 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 3.01Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 2.61Å; L14-D17 PolarHBondContact O-N 2.71Å; L14-N20 HydrophobicContact CD2-CB 4.46Å; L14-I24 HydrophobicContact CB-CG2 3.68Å; L14-I24 HydrophobicContact CD1-CG2 4.38Å; L14-V41 HydrophobicContact CD1-CG1 3.99Å; L14-L44 HydrophobicContact CD2-CD1 4.36Å
15L95.5Very high94.9Very high13 Ų1353.6 Ų53.67%0.06827%0.274CS..Hα-helixtrans-77.4-10.2179-83.6165.5000114.7L11 L12 Q13 I24 W26 F33 F84L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CD1 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.15Å; Q13-L15 VanDerWaalsContact C-N 3.26Å; Q13-L15 PolarHBondContact O-N 2.88Å; L15-I24 HydrophobicContact CD1-CD1 4.04Å; L15-I24 HydrophobicContact CD1-CG1 4.34Å; L15-I24 HydrophobicContact CD2-CD1 4.47Å; L15-I24 HydrophobicContact CD2-CG1 3.92Å; L15-I24 HydrophobicContact CD2-CG2 4.4Å; L15-I24 HydrophobicContact CG-CD1 3.99Å; L15-I24 HydrophobicContact CG-CG1 3.98Å; L15-I24 HydrophobicContact CG-CG2 4.27Å; L15-W26 HydrophobicContact CB-CH2 4.38Å; L15-W26 HydrophobicContact CB-CZ2 3.62Å; L15-W26 HydrophobicContact CD1-CE3 4.46Å; L15-W26 HydrophobicContact CD1-CH2 3.92Å; L15-W26 HydrophobicContact CD1-CZ2 3.98Å; L15-W26 HydrophobicContact CD1-CZ3 4.16Å; L15-W26 HydrophobicContact CD2-CD2 4.02Å; L15-W26 HydrophobicContact CD2-CG 4.15Å; L15-W26 HydrophobicContact CD2-CZ2 4.5Å; L15-W26 HydrophobicContact CG-CZ2 4.25Å; L15-W26 PolarHBondContact O-NE1 3.02Å; L15-F33 HydrophobicContact CD1-CB 3.61Å; L15-F33 HydrophobicContact CD1-CD1 4.08Å; L15-F33 HydrophobicContact CD1-CD2 3.87Å; L15-F33 HydrophobicContact CD1-CG 3.6Å; L15-F33 HydrophobicContact CD2-CB 3.96Å; L15-F33 HydrophobicContact CG-CB 4.45Å; L15-F84 HydrophobicContact CD1-CE2 4Å
16L92.8Very high95Very high113 Ų11356.5 Ų56.559%0.59228%0.284SS*.Hα-helixtrans-95.8-11.7174.1-70.8166.7000112.6L12 Q13 L14 L91L12-L16 HydrophobicContact CG-CD1 4.42Å; L12-L16 WeakPolarHBondContact O-CG 3.14Å; L12-L16 PolarHBondContact O-N 3.28Å; L12-L16 VanDerWaalsContact O-N 3.15Å; Q13-L16 PolarHBondContact O-N 3.08Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 2.61Å; L16-L91 HydrophobicContact CD1-CD2 4.15Å; L16-L91 HydrophobicContact CD2-CD2 4.31Å
17D93.1Very high95Very high77 Ų7757.2 Ų57.241%0.41229%0.288SS..  trans-108.6104.5-179.3172.51.8000109.8L14 S19 N20L14-D17 PolarHBondContact O-N 2.71Å; D17-S19 PolarHBondContact O-N 3.42Å; D17-S19 VanDerWaalsContact OD1-CB 3.29Å; D17-S19 WeakPolarHBondContact OD1-CB 3.47Å; D17-S19 PolarHBondContact OD1-N 2.98Å; D17-S19 PolarHBondContact OD1-OG 3.09Å; D17-S19 PolarHBondContact OD2-OG 2.93Å; D17-N20 WeakPolarHBondContact CB-ND2 3.4Å; D17-N20 PolarHBondContact O-N 3.49Å; D17-N20 PolarHBondContact O-ND2 2.91Å; D17-N20 PolarHBondContact OD2-ND2 3.36Å
18S90.3Very high94.8Very high85 Ų8559.1 Ų59.159%0.59430%0.299SS*.G310 helixtrans-59.8-18-176.450.70000114.4N20 E21S18-N20 PolarHBondContact O-N 3.34Å; S18-E21 WeakPolarHBondContact CB-OE1 3.12Å; S18-E21 VanDerWaalsContact O-CG 3.31Å; S18-E21 WeakPolarHBondContact O-CG 3.27Å; S18-E21 PolarHBondContact O-N 2.88Å
19S92.4Very high94.5Very high89 Ų8965 Ų6562%0.62233%0.328SS*.G310 helixtrans-62.3-23.117272.40000112.8D17D17-S19 PolarHBondContact O-N 3.42Å; D17-S19 VanDerWaalsContact OD1-CB 3.29Å; D17-S19 WeakPolarHBondContact OD1-CB 3.47Å; D17-S19 PolarHBondContact OD1-N 2.98Å; D17-S19 PolarHBondContact OD1-OG 3.09Å; D17-S19 PolarHBondContact OD2-OG 2.93Å
20N92.4Very high94.3Very high21 Ų2166.5 Ų66.511%0.11234%0.335CS..G310 helixtrans-94.14.4-178.7-55.8-81.9000114.3L14 D17 S18 R22 L23 I24L14-N20 HydrophobicContact CD2-CB 4.46Å; D17-N20 WeakPolarHBondContact CB-ND2 3.4Å; D17-N20 PolarHBondContact O-N 3.49Å; D17-N20 PolarHBondContact O-ND2 2.91Å; D17-N20 PolarHBondContact OD2-ND2 3.36Å; S18-N20 PolarHBondContact O-N 3.34Å; N20-R22 PolarHBondContact O-N 2.99Å; N20-L23 HydrophobicContact CB-CD1 4.47Å; N20-L23 WeakPolarHBondContact O-CA 3.31Å; N20-L23 WeakPolarHBondContact O-CB 3.48Å; N20-L23 PolarHBondContact O-N 2.83Å; N20-I24 PolarHBondContact O-N 2.85Å
21E92.6Very high94.2Very high118 Ų11866 Ų6655%0.55133%0.333SS*.THydrogen-bonded Turntrans-51.9-32.3-178.3-81.2171.7-156.400113.8S18 L23 I24 L36S18-E21 WeakPolarHBondContact CB-OE1 3.12Å; S18-E21 VanDerWaalsContact O-CG 3.31Å; S18-E21 WeakPolarHBondContact O-CG 3.27Å; S18-E21 PolarHBondContact O-N 2.88Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 3.12Å; E21-I24 WeakPolarHBondContact CA-O 3.39Å; E21-L36 WeakPolarHBondContact O-CD1 3.34Å
22R94.7Very high94.2Very high207 Ų20766.8 Ų66.878%0.78134%0.337SS*.THydrogen-bonded Turntrans-70.7-21.2176.8-64.9-179.6-179.8162.41.7113.6N20 L36N20-R22 PolarHBondContact O-N 2.99Å; R22-L36 WeakPolarHBondContact O-CB 3.47Å
23L96.2Very high94.4Very high24 Ų2466.1 Ų66.113%0.12633%0.333CS..THydrogen-bonded Turntrans-95.2-47.1180-50.4-175.5000111N20 E21 L36 Q37 E40 V41 L44N20-L23 HydrophobicContact CB-CD1 4.47Å; N20-L23 WeakPolarHBondContact O-CA 3.31Å; N20-L23 WeakPolarHBondContact O-CB 3.48Å; N20-L23 PolarHBondContact O-N 2.83Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 3.12Å; L23-L36 PolarHBondContact O-N 3.22Å; L23-Q37 HydrophobicContact CD2-CB 4.11Å; L23-Q37 PolarHBondContact O-N 3.21Å; L23-Q37 VanDerWaalsContact O-N 3.09Å; L23-E40 HydrophobicContact CD1-CG 4.24Å; L23-E40 HydrophobicContact CD2-CB 4.17Å; L23-E40 HydrophobicContact CD2-CG 3.66Å; L23-V41 HydrophobicContact CB-CG2 3.93Å; L23-L44 HydrophobicContact CD1-CD1 3.52Å
24I97.8Very high94.5Very high2 Ų264.5 Ų64.51%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-151.8133.3-175.2-165.9174.5000109.5L11 L14 L15 N20 E21 F33 K34 L35 V41L11-I24 HydrophobicContact CB-CD1 4.44Å; L11-I24 HydrophobicContact CD2-CD1 3.75Å; L14-I24 HydrophobicContact CB-CG2 3.68Å; L14-I24 HydrophobicContact CD1-CG2 4.38Å; L15-I24 HydrophobicContact CD1-CD1 4.04Å; L15-I24 HydrophobicContact CD1-CG1 4.34Å; L15-I24 HydrophobicContact CD2-CD1 4.47Å; L15-I24 HydrophobicContact CD2-CG1 3.92Å; L15-I24 HydrophobicContact CD2-CG2 4.4Å; L15-I24 HydrophobicContact CG-CD1 3.99Å; L15-I24 HydrophobicContact CG-CG1 3.98Å; L15-I24 HydrophobicContact CG-CG2 4.27Å; N20-I24 PolarHBondContact O-N 2.85Å; E21-I24 WeakPolarHBondContact CA-O 3.39Å; I24-F33 HydrophobicContact CD1-CD2 3.82Å; I24-F33 HydrophobicContact CD1-CE2 4.01Å; I24-F33 HydrophobicContact CG1-CD2 4.05Å; I24-K34 WeakPolarHBondContact CA-O 3.4Å; I24-L35 HydrophobicContact CD1-CG 4.1Å; I24-L35 HydrophobicContact CG1-CG 4.25Å; I24-V41 HydrophobicContact CB-CG2 4.13Å
25C96.6Very high94.6Very high32 Ų3263.7 Ų63.722%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-142.4154.4-177.861.90000112.3F33 K34C25-F33 CarbonylContact O-C 3.53Å; C25-F33 VanDerWaalsContact O-CA 3.24Å; C25-F33 WeakPolarHBondContact O-CA 3.45Å; C25-F33 WeakPolarHBondContact O-CB 3.31Å; C25-K34 PolarHBondContact N-O 3.19Å; C25-K34 PolarHBondContact O-N 3.29Å
26W96.8Very high94.7Very high70 Ų7067 Ų6727%0.26534%0.338SS..EExtended strand (participates in β ladder)trans-66.2143.4166.3-61106.9000109.9L12 L15 F33 F84 Y87L12-W26 HydrophobicContact CD1-CH2 3.79Å; L12-W26 HydrophobicContact CD1-CZ2 3.9Å; L15-W26 HydrophobicContact CB-CH2 4.38Å; L15-W26 HydrophobicContact CB-CZ2 3.62Å; L15-W26 HydrophobicContact CD1-CE3 4.46Å; L15-W26 HydrophobicContact CD1-CH2 3.92Å; L15-W26 HydrophobicContact CD1-CZ2 3.98Å; L15-W26 HydrophobicContact CD1-CZ3 4.16Å; L15-W26 HydrophobicContact CD2-CD2 4.02Å; L15-W26 HydrophobicContact CD2-CG 4.15Å; L15-W26 HydrophobicContact CD2-CZ2 4.5Å; L15-W26 HydrophobicContact CG-CZ2 4.25Å; L15-W26 PolarHBondContact O-NE1 3.02Å; W26-F33 HydrophobicContact CE3-CB 3.97Å; W26-F33 HydrophobicContact CZ3-CB 4.22Å; W26-F33 HydrophobicContact CZ3-CD1 4.42Å; W26-F84 AromaticContact CH2-CD2 3.85Å; W26-F84 HydrophobicContact CH2-CD2 3.85Å; W26-F84 AromaticContact CH2-CE2 3.95Å; W26-F84 HydrophobicContact CH2-CE2 3.95Å; W26-F84 AromaticContact CZ3-CD2 3.89Å; W26-F84 HydrophobicContact CZ3-CD2 3.89Å; W26-F84 HydrophobicContact CZ3-CE2 4.26Å; W26-Y87 AromaticContact CH2-CD2 3.85Å; W26-Y87 HydrophobicContact CH2-CD2 3.85Å; W26-Y87 AromaticContact CH2-CE2 3.45Å; W26-Y87 HydrophobicContact CH2-CE2 3.45Å; W26-Y87 VanDerWaalsContact CH2-CE2 3.45Å; W26-Y87 AromaticContact CH2-CZ 4Å; W26-Y87 AromaticContact CZ2-CE2 3.75Å; W26-Y87 HydrophobicContact CZ2-CE2 3.75Å; W26-Y87 HydrophobicContact CZ3-CD2 4.31Å; W26-Y87 HydrophobicContact CZ3-CE2 4.14Å
27T95.3Very high95Very high65 Ų6566.7 Ų66.740%0.39933%0.333SS..SBendtrans-110.4-19.4177.1-56.40000111.1E32T27-E32 PolarHBondContact N-O 3.12Å
28N93.2Very high95.2Very high43 Ų4363.4 Ų63.423%0.2332%0.316CS..SBendtrans-155.8-176.516873.12.9000111.1E30 G31 E32 R83N28-E30 PolarHBondContact ND2-OE2 3.28Å; N28-E30 PolarHBondContact OD1-N 3.18Å; N28-G31 PolarHBondContact OD1-N 3.24Å; N28-E32 PolarHBondContact N-O 3.13Å; N28-E32 WeakPolarHBondContact OD1-CA 3.2Å; N28-E32 WeakPolarHBondContact OD1-CB 3.48Å; N28-E32 PolarHBondContact OD1-N 3.11Å; N28-R83 PolarHBondContact ND2-NH1 3.26Å; N28-R83 PolarHBondContact ND2-NH2 2.93Å
29E90.3Very high95.5Very high173 Ų17364.4 Ų64.481%0.80831%0.312SS*.SBendtrans-86.3-23.4-179.6-62.3-177.1-178.600113.2G31 Y87E29-G31 PolarHBondContact O-N 3.03Å; E29-G31 VanDerWaalsContact O-N 3.11Å; E29-Y87 WeakPolarHBondContact O-CD1 3.42Å; E29-Y87 WeakPolarHBondContact O-CE1 3.28Å
30E91.4Very high95.8Very high111 Ų11163 Ų6352%0.51930%0.295SS..SBendtrans-88.145175.7-18.976.5-137.200113.4N28 E32 R83N28-E30 PolarHBondContact ND2-OE2 3.28Å; N28-E30 PolarHBondContact OD1-N 3.18Å; E30-E32 PolarHBondContact O-N 3.48Å; E30-R83 PolarHBondContact O-NH1 3.03Å; E30-R83 IonicContact OE2-CZ 2.99Å; E30-R83 IonicContact OE2-NH1 3.29Å; E30-R83 PolarHBondContact OE2-NH1 3.31Å; E30-R83 VanDerWaalsContact OE2-NH1 3.08Å; E30-R83 IonicContact OE2-NH2 3.51Å
31G94.2Very high96.1Very high0 Ų062 Ų620%029%0.29CS..SBendtrans77.111.8164.300000117N28 E29 R83 F84N28-G31 PolarHBondContact OD1-N 3.24Å; E29-G31 PolarHBondContact O-N 3.03Å; E29-G31 VanDerWaalsContact O-N 3.11Å; G31-R83 CarbonylContact O-C 3.58Å; G31-R83 WeakPolarHBondContact O-CA 3.42Å; G31-F84 PolarHBondContact O-N 2.88Å
32E97.6Very high96.3Very high17 Ų1756.3 Ų56.38%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-80.2131172.1-166.8161.6124.300111T27 N28 E30 V75 Q78 V81 Y82 R83T27-E32 PolarHBondContact N-O 3.12Å; N28-E32 PolarHBondContact N-O 3.13Å; N28-E32 WeakPolarHBondContact OD1-CA 3.2Å; N28-E32 WeakPolarHBondContact OD1-CB 3.48Å; N28-E32 PolarHBondContact OD1-N 3.11Å; E30-E32 PolarHBondContact O-N 3.48Å; E32-V75 HydrophobicContact CG-CG2 3.95Å; E32-V75 VanDerWaalsContact OE2-CG2 3.28Å; E32-V75 WeakPolarHBondContact OE2-CG2 3.36Å; E32-Q78 PolarHBondContact OE1-NE2 2.87Å; E32-V81 HydrophobicContact CG-CG1 3.42Å; E32-V81 VanDerWaalsContact CG-CG1 3.42Å; E32-V81 WeakPolarHBondContact OE1-CG1 3.38Å; E32-Y82 CarbonylContact C-O 3.51Å; E32-Y82 WeakPolarHBondContact CA-O 3.32Å; E32-R83 HydrophobicContact CB-CB 4.41Å; E32-R83 HydrophobicContact CB-CG 4.39Å; E32-R83 IonicContact OE2-CZ 2.78Å; E32-R83 VanDerWaalsContact OE2-CZ 3.3Å; E32-R83 IonicContact OE2-NE 3.66Å; E32-R83 PolarHBondContact OE2-NE 3.03Å; E32-R83 VanDerWaalsContact OE2-NE 3.08Å; E32-R83 IonicContact OE2-NH2 2.93Å; E32-R83 PolarHBondContact OE2-NH2 2.74Å
33F97.8Very high96.5Very high0 Ų052.9 Ų52.90%025%0.251CS..EExtended strand (participates in β ladder)trans-137.3156.6-179.369.5-89.4000111.8L11 L15 I24 C25 W26 L35 I72 V81 Y82 F84L11-F33 HydrophobicContact CD1-CZ 4.47Å; L15-F33 HydrophobicContact CD1-CB 3.61Å; L15-F33 HydrophobicContact CD1-CD1 4.08Å; L15-F33 HydrophobicContact CD1-CD2 3.87Å; L15-F33 HydrophobicContact CD1-CG 3.6Å; L15-F33 HydrophobicContact CD2-CB 3.96Å; L15-F33 HydrophobicContact CG-CB 4.45Å; I24-F33 HydrophobicContact CD1-CD2 3.82Å; I24-F33 HydrophobicContact CD1-CE2 4.01Å; I24-F33 HydrophobicContact CG1-CD2 4.05Å; C25-F33 CarbonylContact O-C 3.53Å; C25-F33 VanDerWaalsContact O-CA 3.24Å; C25-F33 WeakPolarHBondContact O-CA 3.45Å; C25-F33 WeakPolarHBondContact O-CB 3.31Å; W26-F33 HydrophobicContact CE3-CB 3.97Å; W26-F33 HydrophobicContact CZ3-CB 4.22Å; W26-F33 HydrophobicContact CZ3-CD1 4.42Å; F33-L35 HydrophobicContact CD2-CD1 4.25Å; F33-L35 HydrophobicContact CE2-CD1 3.84Å; F33-I72 HydrophobicContact CE1-CD1 4.45Å; F33-I72 HydrophobicContact CE1-CG2 4.3Å; F33-I72 HydrophobicContact CZ-CD1 4.22Å; F33-I72 HydrophobicContact CZ-CG2 4.32Å; F33-V81 CarbonylContact O-C 3.59Å; F33-V81 WeakPolarHBondContact O-CA 3.5Å; F33-V81 WeakPolarHBondContact O-CG1 3.45Å; F33-Y82 WeakPolarHBondContact CD1-O 3.31Å; F33-Y82 HydrophobicContact CZ-CG 4.43Å; F33-Y82 PolarHBondContact N-O 3.05Å; F33-Y82 PolarHBondContact O-N 2.63Å; F33-Y82 VanDerWaalsContact O-O 3.06Å; F33-F84 AromaticContact CD1-CD2 3.61Å; F33-F84 HydrophobicContact CD1-CD2 3.61Å; F33-F84 AromaticContact CD1-CE2 3.61Å; F33-F84 HydrophobicContact CD1-CE2 3.61Å; F33-F84 AromaticContact CE1-CD2 3.51Å; F33-F84 HydrophobicContact CE1-CD2 3.51Å; F33-F84 AromaticContact CE1-CE2 3.37Å; F33-F84 HydrophobicContact CE1-CE2 3.37Å; F33-F84 HydrophobicContact CE1-CG 4.33Å; F33-F84 HydrophobicContact CE1-CZ 4.11Å; F33-F84 HydrophobicContact CZ-CE2 4.13Å
34K98Very high96.5Very high76 Ų7653.8 Ų53.833%0.3326%0.256SS..EExtended strand (participates in β ladder)trans-127.6127.4-177.2-173.3171.4-176177.80110.3I24 C25 L36 V81I24-K34 WeakPolarHBondContact CA-O 3.4Å; C25-K34 PolarHBondContact N-O 3.19Å; C25-K34 PolarHBondContact O-N 3.29Å; K34-L36 HydrophobicContact CD-CD2 3.83Å; K34-L36 HydrophobicContact CG-CD2 3.98Å; K34-L36 PolarHBondContact O-N 3.09Å; K34-V81 HydrophobicContact CB-CG2 3.93Å; K34-V81 HydrophobicContact CD-CG2 3.78Å; K34-V81 HydrophobicContact CG-CG2 3.67Å
35L98.1Very high96.5Very high1 Ų154.9 Ų54.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-79110.7164.6-5985.5000107.7I24 F33 A38 V41 Y56 L59 F80 Y82I24-L35 HydrophobicContact CD1-CG 4.1Å; I24-L35 HydrophobicContact CG1-CG 4.25Å; F33-L35 HydrophobicContact CD2-CD1 4.25Å; F33-L35 HydrophobicContact CE2-CD1 3.84Å; L35-A38 HydrophobicContact CB-CB 3.96Å; L35-A38 HydrophobicContact CD2-CB 4.39Å; L35-V41 HydrophobicContact CD2-CB 3.97Å; L35-V41 HydrophobicContact CD2-CG1 3.81Å; L35-V41 HydrophobicContact CD2-CG2 4.27Å; L35-Y56 HydrophobicContact CD2-CE2 4.41Å; L35-L59 HydrophobicContact CD2-CD2 4.49Å; L35-F80 HydrophobicContact CB-CB 4.3Å; L35-F80 WeakPolarHBondContact CD1-O 3.39Å; L35-F80 PolarHBondContact N-O 3.43Å; L35-F80 VanDerWaalsContact N-O 3.08Å; L35-F80 WeakPolarHBondContact O-CB 3.37Å; L35-Y82 HydrophobicContact CD1-CD2 3.72Å; L35-Y82 HydrophobicContact CD1-CE2 4.05Å
36L97.6Very high96.6Very high84 Ų8453.4 Ų53.444%0.4425%0.25SC..SBendtrans-78.3-47.5175.4-62.2-178.3000110.4E21 R22 L23 K34E21-L36 WeakPolarHBondContact O-CD1 3.34Å; R22-L36 WeakPolarHBondContact O-CB 3.47Å; L23-L36 PolarHBondContact O-N 3.22Å; K34-L36 HydrophobicContact CD-CD2 3.83Å; K34-L36 HydrophobicContact CG-CD2 3.98Å; K34-L36 PolarHBondContact O-N 3.09Å
37Q97.6Very high96.5Very high105 Ų10553.4 Ų53.449%0.49127%0.265SS..SBendtrans-111.973175.4-61.4-168.3-80.400109.9L23 E39 E40 V41L23-Q37 HydrophobicContact CD2-CB 4.11Å; L23-Q37 PolarHBondContact O-N 3.21Å; L23-Q37 VanDerWaalsContact O-N 3.09Å; Q37-E39 VanDerWaalsContact C-N 3.3Å; Q37-E39 PolarHBondContact O-N 3.43Å; Q37-E40 HydrophobicContact CB-CB 4.01Å; Q37-E40 PolarHBondContact O-N 3.11Å; Q37-V41 PolarHBondContact O-N 2.92Å; Q37-V41 VanDerWaalsContact O-N 3.12Å
38A97.8Very high96.5Very high8 Ų852.5 Ų52.57%0.06625%0.254CS..Hα-helixtrans-59.4-32.4-169.500000115.1L35 A42 Y56 F80L35-A38 HydrophobicContact CB-CB 3.96Å; L35-A38 HydrophobicContact CD2-CB 4.39Å; A38-A42 PolarHBondContact O-N 3.37Å; A38-Y56 HydrophobicContact CB-CD2 3.63Å; A38-Y56 HydrophobicContact CB-CE2 3.99Å; A38-Y56 HydrophobicContact CB-CG 3.99Å; A38-F80 HydrophobicContact CB-CD1 3.53Å; A38-F80 HydrophobicContact CB-CE1 3.72Å; A38-F80 HydrophobicContact CB-CG 4.27Å
39E98Very high96.6Very high106 Ų10653.3 Ų53.350%0.49526%0.255SS..Hα-helixtrans-73-33.5173.5-62.4-58.6162.500112.6Q37 A42 R43 Y56Q37-E39 VanDerWaalsContact C-N 3.3Å; Q37-E39 PolarHBondContact O-N 3.43Å; E39-A42 CarbonylContact O-C 3.5Å; E39-A42 WeakPolarHBondContact O-CA 3.45Å; E39-A42 WeakPolarHBondContact O-CB 3.47Å; E39-A42 PolarHBondContact O-N 2.9Å; E39-A42 VanDerWaalsContact O-N 3.15Å; E39-R43 PolarHBondContact O-N 3.26Å; E39-Y56 VanDerWaalsContact CD-CB 3.5Å; E39-Y56 VanDerWaalsContact OE1-CB 3.28Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.4Å; E39-Y56 WeakPolarHBondContact OE2-CB 3.37Å; E39-Y56 PolarHBondContact OE2-N 3Å
40E97.9Very high96.9Very high59 Ų5951.5 Ų51.528%0.27625%0.251SS..Hα-helixtrans-73.8-38.8-178.7-176.356.9-164.200111.1L23 Q37 A42 R43 L44L23-E40 HydrophobicContact CD1-CG 4.24Å; L23-E40 HydrophobicContact CD2-CB 4.17Å; L23-E40 HydrophobicContact CD2-CG 3.66Å; Q37-E40 HydrophobicContact CB-CB 4.01Å; Q37-E40 PolarHBondContact O-N 3.11Å; E40-A42 PolarHBondContact O-N 3.44Å; E40-R43 WeakPolarHBondContact O-CB 3.18Å; E40-R43 PolarHBondContact O-N 3.39Å; E40-R43 VanDerWaalsContact O-N 3.15Å; E40-R43 IonicContact OE1-CZ 3.3Å; E40-R43 IonicContact OE1-NE 2.71Å; E40-R43 PolarHBondContact OE1-NE 3.08Å; E40-R43 IonicContact OE1-NH2 3.08Å; E40-R43 PolarHBondContact OE1-NH2 3.49Å; E40-R43 WeakPolarHBondContact OE2-CD 3.09Å; E40-R43 IonicContact OE2-CZ 2.94Å; E40-R43 IonicContact OE2-NE 2.65Å; E40-R43 PolarHBondContact OE2-NE 3.08Å; E40-L44 WeakPolarHBondContact O-CG 3.44Å; E40-L44 PolarHBondContact O-N 3.5Å
41V98.2Very high97.1Very high0 Ų052 Ų520%025%0.252CS..Hα-helixtrans-58.5-37.2167178.20000111.2F10 L11 L14 L23 I24 L35 Q37 W45 L59F10-V41 HydrophobicContact CE1-CG1 4.5Å; L11-V41 HydrophobicContact CD2-CG1 3.51Å; L14-V41 HydrophobicContact CD1-CG1 3.99Å; L23-V41 HydrophobicContact CB-CG2 3.93Å; I24-V41 HydrophobicContact CB-CG2 4.13Å; L35-V41 HydrophobicContact CD2-CB 3.97Å; L35-V41 HydrophobicContact CD2-CG1 3.81Å; L35-V41 HydrophobicContact CD2-CG2 4.27Å; Q37-V41 PolarHBondContact O-N 2.92Å; Q37-V41 VanDerWaalsContact O-N 3.12Å; V41-W45 WeakPolarHBondContact O-CB 3.45Å; V41-W45 PolarHBondContact O-N 2.81Å; V41-L59 HydrophobicContact CG1-CD1 4.36Å
42A98.3Very high97.2Very high0 Ų057.1 Ų57.10%029%0.285CS..Hα-helixtrans-72.1-34.3175.200000113.4A38 E39 E40 W45 G46 M54 L59A38-A42 PolarHBondContact O-N 3.37Å; E39-A42 CarbonylContact O-C 3.5Å; E39-A42 WeakPolarHBondContact O-CA 3.45Å; E39-A42 WeakPolarHBondContact O-CB 3.47Å; E39-A42 PolarHBondContact O-N 2.9Å; E39-A42 VanDerWaalsContact O-N 3.15Å; E40-A42 PolarHBondContact O-N 3.44Å; A42-W45 PolarHBondContact O-N 3.47Å; A42-G46 PolarHBondContact O-N 2.99Å; A42-M54 HydrophobicContact CB-CG 4.45Å; A42-M54 WeakPolarHBondContact O-CG 3.33Å; A42-L59 HydrophobicContact CB-CB 4.19Å; A42-L59 HydrophobicContact CB-CD1 3.89Å
43R97.9Very high97.1Very high134 Ų13462.7 Ų62.751%0.50632%0.315SS..Hα-helixtrans-64-45.3172.1-167.8-16870.379.31.7111E39 E40 G46 A47E39-R43 PolarHBondContact O-N 3.26Å; E40-R43 WeakPolarHBondContact O-CB 3.18Å; E40-R43 PolarHBondContact O-N 3.39Å; E40-R43 VanDerWaalsContact O-N 3.15Å; E40-R43 IonicContact OE1-CZ 3.3Å; E40-R43 IonicContact OE1-NE 2.71Å; E40-R43 PolarHBondContact OE1-NE 3.08Å; E40-R43 IonicContact OE1-NH2 3.08Å; E40-R43 PolarHBondContact OE1-NH2 3.49Å; E40-R43 WeakPolarHBondContact OE2-CD 3.09Å; E40-R43 IonicContact OE2-CZ 2.94Å; E40-R43 IonicContact OE2-NE 2.65Å; E40-R43 PolarHBondContact OE2-NE 3.08Å; R43-G46 WeakPolarHBondContact O-CA 3.34Å; R43-G46 PolarHBondContact O-N 2.97Å; R43-A47 PolarHBondContact O-N 2.93Å
44L97.2Very high97.1Very high44 Ų4464.6 Ų64.623%0.2333%0.325CS..Hα-helixtrans-63.7-41.5175.3-67.7174.7000111.8F10 L14 L23 E40 G46 A47 R48F10-L44 HydrophobicContact CZ-CB 3.82Å; L14-L44 HydrophobicContact CD2-CD1 4.36Å; L23-L44 HydrophobicContact CD1-CD1 3.52Å; E40-L44 WeakPolarHBondContact O-CG 3.44Å; E40-L44 PolarHBondContact O-N 3.5Å; L44-G46 VanDerWaalsContact C-N 3.31Å; L44-G46 PolarHBondContact O-N 2.78Å; L44-A47 PolarHBondContact O-N 3.21Å; L44-R48 WeakPolarHBondContact O-CB 3.44Å; L44-R48 PolarHBondContact O-N 3.24Å
45W97.6Very high97.2Very high24 Ų2463.5 Ų63.59%0.09132%0.323CS..Hα-helixtrans-61.9-39.2171.7178.4-125.4000112.2V5 L7 F10 V41 A42 R48 K49 L59V5-W45 HydrophobicContact CG1-CZ3 4.12Å; L7-W45 HydrophobicContact CB-CH2 4.13Å; L7-W45 HydrophobicContact CB-CZ2 3.82Å; L7-W45 HydrophobicContact CD1-CD2 3.8Å; L7-W45 HydrophobicContact CD1-CE3 4.28Å; L7-W45 HydrophobicContact CD1-CG 3.92Å; L7-W45 HydrophobicContact CD1-CZ2 4.46Å; F10-W45 HydrophobicContact CB-CE3 3.78Å; F10-W45 HydrophobicContact CB-CZ3 3.64Å; F10-W45 HydrophobicContact CD1-CB 4.12Å; F10-W45 HydrophobicContact CD1-CD2 4.17Å; F10-W45 AromaticContact CD1-CE3 3.52Å; F10-W45 HydrophobicContact CD1-CE3 3.52Å; F10-W45 HydrophobicContact CD1-CG 4.44Å; F10-W45 HydrophobicContact CD1-CZ3 4.29Å; F10-W45 HydrophobicContact CD2-CE3 4.11Å; F10-W45 HydrophobicContact CE1-CB 3.63Å; F10-W45 HydrophobicContact CE1-CE3 4.11Å; F10-W45 HydrophobicContact CE1-CG 4.41Å; F10-W45 AromaticContact CG-CE3 3.51Å; F10-W45 HydrophobicContact CG-CE3 3.51Å; F10-W45 AromaticContact CG-CZ3 3.9Å; F10-W45 HydrophobicContact CG-CZ3 3.9Å; F10-W45 HydrophobicContact CZ-CB 4.17Å; V41-W45 WeakPolarHBondContact O-CB 3.45Å; V41-W45 PolarHBondContact O-N 2.81Å; A42-W45 PolarHBondContact O-N 3.47Å; W45-R48 HydrophobicContact CE3-CB 4.39Å; W45-R48 PolarHBondContact O-N 2.71Å; W45-K49 HydrophobicContact CD2-CG 4.05Å; W45-K49 HydrophobicContact CE3-CG 3.91Å; W45-K49 HydrophobicContact CH2-CD 3.58Å; W45-K49 HydrophobicContact CH2-CG 3.56Å; W45-K49 HydrophobicContact CZ2-CD 4.12Å; W45-K49 HydrophobicContact CZ2-CG 3.68Å; W45-K49 HydrophobicContact CZ3-CD 3.81Å; W45-K49 HydrophobicContact CZ3-CG 3.68Å; W45-K49 PolarHBondContact O-N 2.8Å; W45-L59 HydrophobicContact CB-CD1 3.97Å; W45-L59 HydrophobicContact CG-CD1 4.21Å
46G97.1Very high97.2Very high1 Ų164.9 Ų64.91%0.0133%0.328CS..Hα-helixtrans-57.2-52.2172.200000112.1A42 R43 L44 R48 K49 N50 K51A42-G46 PolarHBondContact O-N 2.99Å; R43-G46 WeakPolarHBondContact O-CA 3.34Å; R43-G46 PolarHBondContact O-N 2.97Å; L44-G46 VanDerWaalsContact C-N 3.31Å; L44-G46 PolarHBondContact O-N 2.78Å; G46-R48 PolarHBondContact O-N 3.06Å; G46-K49 CarbonylContact O-C 3.59Å; G46-K49 PolarHBondContact O-N 3.15Å; G46-N50 WeakPolarHBondContact O-CA 3.24Å; G46-N50 PolarHBondContact O-N 3.37Å; G46-K51 CarbonylContact C-O 3.59Å; G46-K51 WeakPolarHBondContact CA-O 3.48Å; G46-K51 PolarHBondContact O-N 2.92Å
47A96.4Very high97.2Very high71 Ų7165.9 Ų65.959%0.58733%0.334SS*.Hα-helixtrans-57.9-48.1175.100000111.9R43 L44 K49 N50R43-A47 PolarHBondContact O-N 2.93Å; L44-A47 PolarHBondContact O-N 3.21Å; A47-K49 PolarHBondContact O-N 3.29Å; A47-K49 VanDerWaalsContact O-N 3.1Å; A47-N50 PolarHBondContact O-N 3.22Å; A47-N50 VanDerWaalsContact O-N 3.13Å
48R95.2Very high97.2Very high46 Ų4666.3 Ų66.317%0.17433%0.334CS..Hα-helixtrans-59.7-23.1-178.9-170.263.2166.290.7-1.1114.3D2 V5 F10 L44 W45 G46D2-R48 VanDerWaalsContact CG-NH2 3.27Å; D2-R48 PolarHBondContact O-NH1 3.07Å; D2-R48 IonicContact OD1-CZ 3.85Å; D2-R48 IonicContact OD1-NH1 3.2Å; D2-R48 PolarHBondContact OD1-NH1 3.25Å; D2-R48 IonicContact OD1-NH2 2.82Å; D2-R48 PolarHBondContact OD1-NH2 3.43Å; D2-R48 IonicContact OD2-CZ 3.08Å; D2-R48 IonicContact OD2-NH1 3.97Å; D2-R48 IonicContact OD2-NH2 3.99Å; D2-R48 PolarHBondContact OD2-NH2 2.72Å; V5-R48 HydrophobicContact CG1-CG 3.98Å; F10-R48 HydrophobicContact CD2-CB 4.23Å; F10-R48 HydrophobicContact CD2-CG 3.83Å; F10-R48 HydrophobicContact CE2-CB 4Å; F10-R48 HydrophobicContact CE2-CG 4.04Å; L44-R48 WeakPolarHBondContact O-CB 3.44Å; L44-R48 PolarHBondContact O-N 3.24Å; W45-R48 HydrophobicContact CE3-CB 4.39Å; W45-R48 PolarHBondContact O-N 2.71Å; G46-R48 PolarHBondContact O-N 3.06Å
49K95.3Very high97.3Very high59 Ų5966 Ų6626%0.25733%0.331SS..THydrogen-bonded Turntrans-116.910.9179.2-57.8-65.2-72.8-163.60114N3 V5 W45 G46 A47 K51N3-K49 PolarHBondContact O-NZ 3.19Å; V5-K49 HydrophobicContact CG1-CD 4.02Å; V5-K49 PolarHBondContact O-NZ 2.99Å; W45-K49 HydrophobicContact CD2-CG 4.05Å; W45-K49 HydrophobicContact CE3-CG 3.91Å; W45-K49 HydrophobicContact CH2-CD 3.58Å; W45-K49 HydrophobicContact CH2-CG 3.56Å; W45-K49 HydrophobicContact CZ2-CD 4.12Å; W45-K49 HydrophobicContact CZ2-CG 3.68Å; W45-K49 HydrophobicContact CZ3-CD 3.81Å; W45-K49 HydrophobicContact CZ3-CG 3.68Å; W45-K49 PolarHBondContact O-N 2.8Å; G46-K49 CarbonylContact O-C 3.59Å; G46-K49 PolarHBondContact O-N 3.15Å; A47-K49 PolarHBondContact O-N 3.29Å; A47-K49 VanDerWaalsContact O-N 3.1Å; K49-K51 HydrophobicContact CB-CG 4.36Å; K49-K51 PolarHBondContact O-N 2.91Å
50N95.3Very high97.3Very high135 Ų13561 Ų6172%0.72231%0.308SS*.THydrogen-bonded Turntrans46.454.6-171.6-164.314000113.5G46 A47G46-N50 WeakPolarHBondContact O-CA 3.24Å; G46-N50 PolarHBondContact O-N 3.37Å; A47-N50 PolarHBondContact O-N 3.22Å; A47-N50 VanDerWaalsContact O-N 3.13Å
51K96.3Very high97.3Very high123 Ų12363.4 Ų63.454%0.53531%0.314SS..  trans-126.583.9174.7-61.5-59.3169.7-162.70108.9G46 K49 N53 M54G46-K51 CarbonylContact C-O 3.59Å; G46-K51 WeakPolarHBondContact CA-O 3.48Å; G46-K51 PolarHBondContact O-N 2.92Å; K49-K51 HydrophobicContact CB-CG 4.36Å; K49-K51 PolarHBondContact O-N 2.91Å; K51-N53 PolarHBondContact O-N 3.27Å; K51-M54 HydrophobicContact CB-CE 4.13Å; K51-M54 VanDerWaalsContact O-CB 3.29Å; K51-M54 WeakPolarHBondContact O-CB 3.22Å; K51-M54 PolarHBondContact O-N 2.94Å
52P95.1Very high97.3Very high107 Ų10764.8 Ų64.870%0.69533%0.326SS*.THydrogen-bonded Turntrans-60.3-33.9-177.523-33.5000112.5M54P52-M54 PolarHBondContact O-N 3.18Å
53N97.1Very high97.3Very high133 Ų13364.8 Ų64.871%0.71133%0.326SS*.THydrogen-bonded Turntrans-81.231.6178.5-59.5-13.1000113K51 K58K51-N53 PolarHBondContact O-N 3.27Å; N53-K58 PolarHBondContact O-NZ 3.06Å
54M98.3Very high97.3Very high40 Ų4063.4 Ų63.420%0.19732%0.321CS..  trans-85.1141.3173.3-171.462.868.800110.1A42 K51 P52 K58A42-M54 HydrophobicContact CB-CG 4.45Å; A42-M54 WeakPolarHBondContact O-CG 3.33Å; K51-M54 HydrophobicContact CB-CE 4.13Å; K51-M54 VanDerWaalsContact O-CB 3.29Å; K51-M54 WeakPolarHBondContact O-CB 3.22Å; K51-M54 PolarHBondContact O-N 2.94Å; P52-M54 PolarHBondContact O-N 3.18Å; M54-K58 HydrophobicContact SD-CB 3.75Å
55N98.4Very high97.3Very high54 Ų5468 Ų6829%0.28934%0.336SS..  trans-149172.2177.269.7-12.8000110.1D57 K58 L59N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact O-N 3.39Å; N55-K58 PolarHBondContact O-N 2.8Å; N55-K58 WeakPolarHBondContact OD1-CB 3.37Å; N55-K58 WeakPolarHBondContact OD1-CD 3.12Å; N55-K58 WeakPolarHBondContact OD1-CG 3.13Å; N55-K58 PolarHBondContact OD1-N 2.84Å; N55-K58 VanDerWaalsContact OD1-N 3.16Å; N55-L59 PolarHBondContact O-N 2.86Å
56Y98.5Very high97.3Very high30 Ų3068.1 Ų68.112%0.11834%0.337CS..Hα-helixtrans-63-32.1-176.6176.7-103.9000113.4L35 A38 E39 K58 L59 S60 F80 Y82L35-Y56 HydrophobicContact CD2-CE2 4.41Å; A38-Y56 HydrophobicContact CB-CD2 3.63Å; A38-Y56 HydrophobicContact CB-CE2 3.99Å; A38-Y56 HydrophobicContact CB-CG 3.99Å; E39-Y56 VanDerWaalsContact CD-CB 3.5Å; E39-Y56 VanDerWaalsContact OE1-CB 3.28Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.4Å; E39-Y56 WeakPolarHBondContact OE2-CB 3.37Å; E39-Y56 PolarHBondContact OE2-N 3Å; Y56-K58 VanDerWaalsContact C-N 3.35Å; Y56-K58 PolarHBondContact O-N 3.47Å; Y56-L59 PolarHBondContact O-N 3.32Å; Y56-S60 WeakPolarHBondContact O-CA 3.35Å; Y56-S60 WeakPolarHBondContact O-CB 3.34Å; Y56-S60 PolarHBondContact O-N 2.77Å; Y56-S60 PolarHBondContact O-OG 3.01Å; Y56-F80 AromaticContact CD1-CE1 3.96Å; Y56-F80 HydrophobicContact CD1-CE1 3.96Å; Y56-F80 AromaticContact CE1-CD1 3.88Å; Y56-F80 HydrophobicContact CE1-CD1 3.88Å; Y56-F80 AromaticContact CE1-CE1 3.54Å; Y56-F80 HydrophobicContact CE1-CE1 3.54Å; Y56-F80 AromaticContact CE2-CD1 3.94Å; Y56-F80 HydrophobicContact CE2-CD1 3.94Å; Y56-F80 HydrophobicContact CE2-CE1 4.31Å; Y56-F80 AromaticContact CZ-CD1 3.52Å; Y56-F80 AromaticContact CZ-CE1 3.71Å; Y56-Y82 PolarHBondContact OH-OH 3.38Å
57D98.3Very high97.3Very high105 Ų10571 Ų7156%0.56135%0.348SS*.Hα-helixtrans-60.4-43.8174.4-91.6-59.3000112.3N55 S60 R61N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact O-N 3.39Å; D57-S60 PolarHBondContact O-OG 3.48Å; D57-S60 VanDerWaalsContact O-OG 3.06Å; D57-R61 PolarHBondContact O-N 3.29Å
58K98.1Very high97.3Very high113 Ų11374.5 Ų74.549%0.49136%0.356SS..Hα-helixtrans-69.8-43177-67.2166.6-162.6177.60111.7N53 M54 N55 Y56 R61 A62N53-K58 PolarHBondContact O-NZ 3.06Å; M54-K58 HydrophobicContact SD-CB 3.75Å; N55-K58 PolarHBondContact O-N 2.8Å; N55-K58 WeakPolarHBondContact OD1-CB 3.37Å; N55-K58 WeakPolarHBondContact OD1-CD 3.12Å; N55-K58 WeakPolarHBondContact OD1-CG 3.13Å; N55-K58 PolarHBondContact OD1-N 2.84Å; N55-K58 VanDerWaalsContact OD1-N 3.16Å; Y56-K58 VanDerWaalsContact C-N 3.35Å; Y56-K58 PolarHBondContact O-N 3.47Å; K58-R61 WeakPolarHBondContact O-CB 3.28Å; K58-R61 PolarHBondContact O-N 2.87Å; K58-A62 PolarHBondContact O-N 3.02Å
59L98.6Very high97.3Very high1 Ų177 Ų771%0.00537%0.369CS..Hα-helixtrans-63.1-46.1176.4-173.3154.2000111.3L7 L35 V41 A42 W45 N55 Y56 R61 A62 L63L7-L59 HydrophobicContact CD1-CD1 3.86Å; L7-L59 HydrophobicContact CD1-CD2 4.33Å; L7-L59 HydrophobicContact CD1-CG 3.84Å; L7-L59 HydrophobicContact CD2-CD2 4.1Å; L7-L59 HydrophobicContact CD2-CG 3.89Å; L35-L59 HydrophobicContact CD2-CD2 4.49Å; V41-L59 HydrophobicContact CG1-CD1 4.36Å; A42-L59 HydrophobicContact CB-CB 4.19Å; A42-L59 HydrophobicContact CB-CD1 3.89Å; W45-L59 HydrophobicContact CB-CD1 3.97Å; W45-L59 HydrophobicContact CG-CD1 4.21Å; N55-L59 PolarHBondContact O-N 2.86Å; Y56-L59 PolarHBondContact O-N 3.32Å; L59-R61 PolarHBondContact O-N 3.15Å; L59-A62 WeakPolarHBondContact O-CA 3.48Å; L59-A62 WeakPolarHBondContact O-CB 3.39Å; L59-A62 PolarHBondContact O-N 3.01Å; L59-L63 HydrophobicContact CD2-CD1 3.78Å; L59-L63 HydrophobicContact CD2-CG 4.02Å; L59-L63 PolarHBondContact O-N 2.73Å
60S98.3Very high97.3Very high1 Ų178.2 Ų78.21%0.00738%0.378CS..Hα-helixtrans-67-24.1177.671.60000112.4Y56 D57 A62 L63 R64Y56-S60 WeakPolarHBondContact O-CA 3.35Å; Y56-S60 WeakPolarHBondContact O-CB 3.34Å; Y56-S60 PolarHBondContact O-N 2.77Å; Y56-S60 PolarHBondContact O-OG 3.01Å; D57-S60 PolarHBondContact O-OG 3.48Å; D57-S60 VanDerWaalsContact O-OG 3.06Å; S60-A62 VanDerWaalsContact C-N 3.3Å; S60-L63 PolarHBondContact O-N 2.99Å; S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 3.08Å; S60-R64 PolarHBondContact O-NH1 3.38Å; S60-R64 PolarHBondContact OG-NH1 3.47Å
61R98.3Very high97.4Very high110 Ų11073.2 Ų73.242%0.41535%0.351SS..Hα-helixtrans-66.8-34.3170.6-173.365-166.289.3-12.9111.7D57 K58 L59 Y65D57-R61 PolarHBondContact O-N 3.29Å; K58-R61 WeakPolarHBondContact O-CB 3.28Å; K58-R61 PolarHBondContact O-N 2.87Å; L59-R61 PolarHBondContact O-N 3.15Å; R61-Y65 HydrophobicContact CG-CE2 4.24Å; R61-Y65 VanDerWaalsContact CZ-CE1 3.43Å; R61-Y65 VanDerWaalsContact NH1-CD1 3.32Å; R61-Y65 PolarHBondContact NH2-OH 3.31Å; R61-Y65 VanDerWaalsContact O-CD2 3.29Å; R61-Y65 WeakPolarHBondContact O-CD2 3.47Å; R61-Y65 PolarHBondContact O-N 3.42Å
62A97.1Very high97.4Very high30 Ų3067.3 Ų67.325%0.24833%0.325CS..Hα-helixtrans-71.9-40.6171.500000112.4L7 K58 L59 S60 R64 Y65 Y66L7-A62 HydrophobicContact CD2-CB 3.6Å; K58-A62 PolarHBondContact O-N 3.02Å; L59-A62 WeakPolarHBondContact O-CA 3.48Å; L59-A62 WeakPolarHBondContact O-CB 3.39Å; L59-A62 PolarHBondContact O-N 3.01Å; S60-A62 VanDerWaalsContact C-N 3.3Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 2.7Å; A62-Y65 WeakPolarHBondContact O-CB 3.38Å; A62-Y65 PolarHBondContact O-N 2.79Å; A62-Y66 PolarHBondContact O-N 3.06Å
63L98.4Very high97.6Very high0 Ų066.3 Ų66.30%031%0.31CS..Hα-helixtrans-56.4-41.2171.7-68.7178.1000112.3L7 L11 L59 S60 Y65 Y66 Y67 I72 Y82L7-L63 HydrophobicContact CD2-CD2 4.19Å; L7-L63 HydrophobicContact CD2-CG 4.28Å; L11-L63 HydrophobicContact CD1-CD2 3.7Å; L59-L63 HydrophobicContact CD2-CD1 3.78Å; L59-L63 HydrophobicContact CD2-CG 4.02Å; L59-L63 PolarHBondContact O-N 2.73Å; S60-L63 PolarHBondContact O-N 2.99Å; L63-Y65 VanDerWaalsContact C-N 3.27Å; L63-Y65 PolarHBondContact O-N 3.03Å; L63-Y66 HydrophobicContact CD2-CD2 4.22Å; L63-Y66 WeakPolarHBondContact O-CB 3.34Å; L63-Y66 PolarHBondContact O-N 3.41Å; L63-Y67 WeakPolarHBondContact O-CD1 3.48Å; L63-Y67 WeakPolarHBondContact O-CE1 3.38Å; L63-I72 HydrophobicContact CD2-CD1 3.93Å; L63-I72 HydrophobicContact CD2-CG2 4.44Å; L63-Y82 HydrophobicContact CB-CE1 4.18Å; L63-Y82 HydrophobicContact CD1-CD1 4.23Å; L63-Y82 HydrophobicContact CD1-CD2 4.06Å; L63-Y82 HydrophobicContact CD1-CE1 3.91Å; L63-Y82 HydrophobicContact CD1-CE2 3.74Å; L63-Y82 HydrophobicContact CD1-CG 4.3Å
64R98.3Very high97.6Very high105 Ų10562.9 Ų62.940%0.39629%0.289SS..Hα-helixtrans-60.3-31.8174.6-70.2173.5-169.194.3-16.3113.3S60 A62 Y66 Y67S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 3.08Å; S60-R64 PolarHBondContact O-NH1 3.38Å; S60-R64 PolarHBondContact OG-NH1 3.47Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 2.7Å; R64-Y66 PolarHBondContact O-N 2.89Å; R64-Y67 HydrophobicContact CB-CE2 4.22Å; R64-Y67 HydrophobicContact CG-CE2 3.95Å
65Y98Very high97.5Very high139 Ų13962 Ų6255%0.54529%0.286SS..THydrogen-bonded Turntrans-74.1-9.3174.4-67.9-55.6000113.7R61 A62 L63 K69R61-Y65 HydrophobicContact CG-CE2 4.24Å; R61-Y65 VanDerWaalsContact CZ-CE1 3.43Å; R61-Y65 VanDerWaalsContact NH1-CD1 3.32Å; R61-Y65 PolarHBondContact NH2-OH 3.31Å; R61-Y65 VanDerWaalsContact O-CD2 3.29Å; R61-Y65 WeakPolarHBondContact O-CD2 3.47Å; R61-Y65 PolarHBondContact O-N 3.42Å; A62-Y65 WeakPolarHBondContact O-CB 3.38Å; A62-Y65 PolarHBondContact O-N 2.79Å; L63-Y65 VanDerWaalsContact C-N 3.27Å; L63-Y65 PolarHBondContact O-N 3.03Å; Y65-K69 WeakPolarHBondContact O-CG 3.12Å
66Y97.9Very high97.4Very high27 Ų2766.2 Ų66.211%0.10631%0.308CS..THydrogen-bonded Turntrans-90.4-10.2176.8-67.4-39.5000114.2L7 W8 A62 L63 R64 N70 I71 I72L7-Y66 HydrophobicContact CB-CE2 4.07Å; L7-Y66 HydrophobicContact CD2-CE2 4.25Å; L7-Y66 HydrophobicContact CG-CE2 4.3Å; L7-Y66 PolarHBondContact N-OH 3.17Å; W8-Y66 HydrophobicContact CB-CD2 4.46Å; W8-Y66 HydrophobicContact CB-CE2 3.91Å; W8-Y66 AromaticContact CD1-CZ 3.95Å; W8-Y66 PolarHBondContact N-OH 2.71Å; A62-Y66 PolarHBondContact O-N 3.06Å; L63-Y66 HydrophobicContact CD2-CD2 4.22Å; L63-Y66 WeakPolarHBondContact O-CB 3.34Å; L63-Y66 PolarHBondContact O-N 3.41Å; R64-Y66 PolarHBondContact O-N 2.89Å; Y66-N70 PolarHBondContact O-N 3.42Å; Y66-I71 HydrophobicContact CD1-CB 4.29Å; Y66-I71 HydrophobicContact CD1-CD1 3.96Å; Y66-I71 HydrophobicContact CE1-CD1 4.23Å; Y66-I71 HydrophobicContact CG-CB 4.36Å; Y66-I71 PolarHBondContact O-N 3.35Å; Y66-I71 VanDerWaalsContact O-N 3.11Å; Y66-I72 CarbonylContact C-O 3.57Å; Y66-I72 VanDerWaalsContact C-O 3.23Å; Y66-I72 HydrophobicContact CD2-CD1 4.06Å; Y66-I72 VanDerWaalsContact O-O 3.13Å
67Y97.1Very high97.3Very high63 Ų6369.2 Ų69.225%0.24735%0.348CS..THydrogen-bonded Turntrans-65-56.6-176.8-60.6-4.4000111L63 R64 K69 N70 I72 K74 Y82L63-Y67 WeakPolarHBondContact O-CD1 3.48Å; L63-Y67 WeakPolarHBondContact O-CE1 3.38Å; R64-Y67 HydrophobicContact CB-CE2 4.22Å; R64-Y67 HydrophobicContact CG-CE2 3.95Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 3.27Å; Y67-N70 PolarHBondContact O-N 3.44Å; Y67-N70 VanDerWaalsContact O-N 3.09Å; Y67-I72 WeakPolarHBondContact CA-O 3.47Å; Y67-I72 WeakPolarHBondContact CD1-O 3.4Å; Y67-I72 PolarHBondContact N-O 3.15Å; Y67-K74 HydrophobicContact CE1-CB 4.05Å; Y67-K74 HydrophobicContact CE2-CB 4.15Å; Y67-Y82 HydrophobicContact CE1-CE1 4.28Å
68D95.9Very high97.2Very high143 Ų14368 Ų6877%0.76534%0.339SS*.THydrogen-bonded Turntrans-69.8-29.1-179.3-47.2-44.1000111.7N70D68-N70 PolarHBondContact O-N 3.36Å; D68-N70 PolarHBondContact O-ND2 2.94Å
69K95.1Very high97.2Very high100 Ų10070.7 Ų70.744%0.43535%0.351SS..THydrogen-bonded Turntrans-72.3-4.9172.8-66-166.963166.90114Y65 Y67 I71 M99Y65-K69 WeakPolarHBondContact O-CG 3.12Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 3.27Å; K69-I71 HydrophobicContact CB-CD1 4.21Å; K69-I71 HydrophobicContact CB-CG1 4.08Å; K69-I71 PolarHBondContact O-N 3.49Å; K69-M99 VanDerWaalsContact CE-SD 3.58Å; K69-M99 PolarHBondContact NZ-SD 3.22Å
70N95.8Very high97.1Very high83 Ų8374.4 Ų74.444%0.44437%0.367SS..THydrogen-bonded Turntrans52.934.2-176.2-63-78.8000114.3Y66 Y67 D68 K73 V85Y66-N70 PolarHBondContact O-N 3.42Å; Y67-N70 PolarHBondContact O-N 3.44Å; Y67-N70 VanDerWaalsContact O-N 3.09Å; D68-N70 PolarHBondContact O-N 3.36Å; D68-N70 PolarHBondContact O-ND2 2.94Å; N70-K73 WeakPolarHBondContact OD1-CE 3.49Å; N70-K73 PolarHBondContact OD1-NZ 3.35Å; N70-V85 HydrophobicContact CB-CG1 4.45Å; N70-V85 VanDerWaalsContact O-CB 3.27Å; N70-V85 WeakPolarHBondContact O-CB 3.45Å; N70-V85 WeakPolarHBondContact O-CG2 3.36Å
71I95.9Very high97.1Very high30 Ų3074.3 Ų74.315%0.15437%0.366CS..SBendtrans-94.7-52.5176-57178.4000109.9W8 Y66 K69 F84 V85W8-I71 HydrophobicContact CB-CG2 3.85Å; W8-I71 HydrophobicContact CD2-CG2 4.01Å; W8-I71 HydrophobicContact CG-CG2 3.67Å; Y66-I71 HydrophobicContact CD1-CB 4.29Å; Y66-I71 HydrophobicContact CD1-CD1 3.96Å; Y66-I71 HydrophobicContact CE1-CD1 4.23Å; Y66-I71 HydrophobicContact CG-CB 4.36Å; Y66-I71 PolarHBondContact O-N 3.35Å; Y66-I71 VanDerWaalsContact O-N 3.11Å; K69-I71 HydrophobicContact CB-CD1 4.21Å; K69-I71 HydrophobicContact CB-CG1 4.08Å; K69-I71 PolarHBondContact O-N 3.49Å; I71-F84 WeakPolarHBondContact O-CA 3.16Å; I71-V85 PolarHBondContact O-N 2.99Å; I71-V85 VanDerWaalsContact O-N 3.08Å
72I97.8Very high97.1Very high0 Ų069.5 Ų69.50%035%0.348CS..EExtended strand (participates in β ladder)trans-132.8137.2175.3-67.2165.5000107.6W8 L11 F33 L63 Y66 Y67 Y82 R83 F84W8-I72 HydrophobicContact CB-CD1 3.92Å; L11-I72 HydrophobicContact CD1-CD1 4.45Å; F33-I72 HydrophobicContact CE1-CD1 4.45Å; F33-I72 HydrophobicContact CE1-CG2 4.3Å; F33-I72 HydrophobicContact CZ-CD1 4.22Å; F33-I72 HydrophobicContact CZ-CG2 4.32Å; L63-I72 HydrophobicContact CD2-CD1 3.93Å; L63-I72 HydrophobicContact CD2-CG2 4.44Å; Y66-I72 CarbonylContact C-O 3.57Å; Y66-I72 VanDerWaalsContact C-O 3.23Å; Y66-I72 HydrophobicContact CD2-CD1 4.06Å; Y66-I72 VanDerWaalsContact O-O 3.13Å; Y67-I72 WeakPolarHBondContact CA-O 3.47Å; Y67-I72 WeakPolarHBondContact CD1-O 3.4Å; Y67-I72 PolarHBondContact N-O 3.15Å; I72-Y82 HydrophobicContact CG2-CD1 4.14Å; I72-Y82 HydrophobicContact CG2-CG 4.38Å; I72-R83 CarbonylContact C-O 3.51Å; I72-R83 VanDerWaalsContact CA-O 3.31Å; I72-R83 WeakPolarHBondContact CA-O 3.31Å; I72-F84 HydrophobicContact CD1-CD1 4.15Å; I72-F84 HydrophobicContact CD1-CE1 3.69Å; I72-F84 HydrophobicContact CD1-CZ 4.03Å; I72-F84 HydrophobicContact CG1-CD1 3.59Å; I72-F84 HydrophobicContact CG1-CE1 3.68Å; I72-F84 HydrophobicContact CG1-CG 4.19Å; I72-F84 HydrophobicContact CG1-CZ 4.32Å
73K97.6Very high97.2Very high85 Ų8571.6 Ų71.637%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-115158.5172.6-76174.3-177168.40111.4N70 Y82 R83 V85N70-K73 WeakPolarHBondContact OD1-CE 3.49Å; N70-K73 PolarHBondContact OD1-NZ 3.35Å; K73-Y82 WeakPolarHBondContact O-CA 3.44Å; K73-R83 PolarHBondContact N-O 3.38Å; K73-R83 PolarHBondContact O-N 2.94Å; K73-V85 HydrophobicContact CB-CG2 4.27Å; K73-V85 HydrophobicContact CD-CG2 3.71Å; K73-V85 HydrophobicContact CG-CG2 3.68Å
74K97.7Very high97.1Very high62 Ų6271.8 Ų71.827%0.2735%0.35SS..EExtended strand (participates in β ladder)trans-82.6133.6175.8179.860.6-165.8148.50110.5Y67 Q78 V81 Y82Y67-K74 HydrophobicContact CE1-CB 4.05Å; Y67-K74 HydrophobicContact CE2-CB 4.15Å; K74-Q78 PolarHBondContact NZ-O 3.47Å; K74-V81 PolarHBondContact NZ-O 3.33Å; K74-Y82 HydrophobicContact CB-CE1 4.45Å; K74-Y82 HydrophobicContact CD-CD1 3.99Å; K74-Y82 HydrophobicContact CD-CE1 3.53Å
75V97.4Very high96.9Very high22 Ų2269.5 Ų69.513%0.13335%0.348CS..PPolyproline II helixtrans-87120.8169.1-179.40000108.6E32 Q78 V81 R83E32-V75 HydrophobicContact CG-CG2 3.95Å; E32-V75 VanDerWaalsContact OE2-CG2 3.28Å; E32-V75 WeakPolarHBondContact OE2-CG2 3.36Å; V75-Q78 HydrophobicContact CG1-CB 4.28Å; V75-Q78 HydrophobicContact CG1-CG 4.21Å; V75-V81 HydrophobicContact CB-CB 4.19Å; V75-V81 HydrophobicContact CB-CG1 3.86Å; V75-V81 HydrophobicContact CG1-CG1 4.13Å; V75-V81 HydrophobicContact CG2-CG1 3.9Å; V75-V81 PolarHBondContact N-O 3.06Å; V75-R83 HydrophobicContact CG2-CB 3.97Å
76N96.3Very high96.5Very high142 Ų14265.8 Ų65.876%0.75934%0.343SS*.SBendtrans-74.2154.2-175.3-72-20.6000111.6Q78N76-Q78 PolarHBondContact O-N 3.44Å
77G95.4Very high96.1Very high93 Ų9367 Ų6796%0.95935%0.347SS*.SBendtrans72.4-36.2-174.800000114.8
78Q96.4Very high95.5Very high78 Ų7866.8 Ų66.836%0.36435%0.354SS..  trans-87.9124.7-175.3-62.2-155.773.200113.1E32 K74 V75 N76 V81E32-Q78 PolarHBondContact OE1-NE2 2.87Å; K74-Q78 PolarHBondContact NZ-O 3.47Å; V75-Q78 HydrophobicContact CG1-CB 4.28Å; V75-Q78 HydrophobicContact CG1-CG 4.21Å; N76-Q78 PolarHBondContact O-N 3.44Å; Q78-V81 HydrophobicContact CB-CB 3.71Å; Q78-V81 HydrophobicContact CB-CG1 4.49Å; Q78-V81 HydrophobicContact CB-CG2 3.67Å; Q78-V81 HydrophobicContact CG-CG2 4.43Å
79K97.3Very high95Very high170 Ų17064.5 Ų64.574%0.73934%0.342SS*.THydrogen-bonded Turntrans-71139.2171.3-68.9-173.1178.8-178.50110.5V81K79-V81 PolarHBondContact O-N 3.01Å
80F98.2Very high94.5Very high79 Ų7961.5 Ų61.535%0.34633%0.33SS..THydrogen-bonded Turntrans58.84.2178.5-48.4-73.3000117.8L35 A38 Y56 Y82L35-F80 HydrophobicContact CB-CB 4.3Å; L35-F80 WeakPolarHBondContact CD1-O 3.39Å; L35-F80 PolarHBondContact N-O 3.43Å; L35-F80 VanDerWaalsContact N-O 3.08Å; L35-F80 WeakPolarHBondContact O-CB 3.37Å; A38-F80 HydrophobicContact CB-CD1 3.53Å; A38-F80 HydrophobicContact CB-CE1 3.72Å; A38-F80 HydrophobicContact CB-CG 4.27Å; Y56-F80 AromaticContact CD1-CE1 3.96Å; Y56-F80 HydrophobicContact CD1-CE1 3.96Å; Y56-F80 AromaticContact CE1-CD1 3.88Å; Y56-F80 HydrophobicContact CE1-CD1 3.88Å; Y56-F80 AromaticContact CE1-CE1 3.54Å; Y56-F80 HydrophobicContact CE1-CE1 3.54Å; Y56-F80 AromaticContact CE2-CD1 3.94Å; Y56-F80 HydrophobicContact CE2-CD1 3.94Å; Y56-F80 HydrophobicContact CE2-CE1 4.31Å; Y56-F80 AromaticContact CZ-CD1 3.52Å; Y56-F80 AromaticContact CZ-CE1 3.71Å; F80-Y82 WeakPolarHBondContact O-CD2 3.22Å
81V98.2Very high93.8Very high0 Ų061.3 Ų61.30%033%0.329CS..EExtended strand (participates in β ladder)trans-91.4136.9175.4-1740000112.3E32 F33 K34 K74 V75 Q78 K79E32-V81 HydrophobicContact CG-CG1 3.42Å; E32-V81 VanDerWaalsContact CG-CG1 3.42Å; E32-V81 WeakPolarHBondContact OE1-CG1 3.38Å; F33-V81 CarbonylContact O-C 3.59Å; F33-V81 WeakPolarHBondContact O-CA 3.5Å; F33-V81 WeakPolarHBondContact O-CG1 3.45Å; K34-V81 HydrophobicContact CB-CG2 3.93Å; K34-V81 HydrophobicContact CD-CG2 3.78Å; K34-V81 HydrophobicContact CG-CG2 3.67Å; K74-V81 PolarHBondContact NZ-O 3.33Å; V75-V81 HydrophobicContact CB-CB 4.19Å; V75-V81 HydrophobicContact CB-CG1 3.86Å; V75-V81 HydrophobicContact CG1-CG1 4.13Å; V75-V81 HydrophobicContact CG2-CG1 3.9Å; V75-V81 PolarHBondContact N-O 3.06Å; Q78-V81 HydrophobicContact CB-CB 3.71Å; Q78-V81 HydrophobicContact CB-CG1 4.49Å; Q78-V81 HydrophobicContact CB-CG2 3.67Å; Q78-V81 HydrophobicContact CG-CG2 4.43Å; K79-V81 PolarHBondContact O-N 3.01Å
82Y98.4Very high92.8Very high8 Ų867.8 Ų67.83%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-142.4162.2-176.6-69.1-86.1000109.6E32 F33 L35 Y56 L63 Y67 I72 K73 K74 F80E32-Y82 CarbonylContact C-O 3.51Å; E32-Y82 WeakPolarHBondContact CA-O 3.32Å; F33-Y82 WeakPolarHBondContact CD1-O 3.31Å; F33-Y82 HydrophobicContact CZ-CG 4.43Å; F33-Y82 PolarHBondContact N-O 3.05Å; F33-Y82 PolarHBondContact O-N 2.63Å; F33-Y82 VanDerWaalsContact O-O 3.06Å; L35-Y82 HydrophobicContact CD1-CD2 3.72Å; L35-Y82 HydrophobicContact CD1-CE2 4.05Å; Y56-Y82 PolarHBondContact OH-OH 3.38Å; L63-Y82 HydrophobicContact CB-CE1 4.18Å; L63-Y82 HydrophobicContact CD1-CD1 4.23Å; L63-Y82 HydrophobicContact CD1-CD2 4.06Å; L63-Y82 HydrophobicContact CD1-CE1 3.91Å; L63-Y82 HydrophobicContact CD1-CE2 3.74Å; L63-Y82 HydrophobicContact CD1-CG 4.3Å; Y67-Y82 HydrophobicContact CE1-CE1 4.28Å; I72-Y82 HydrophobicContact CG2-CD1 4.14Å; I72-Y82 HydrophobicContact CG2-CG 4.38Å; K73-Y82 WeakPolarHBondContact O-CA 3.44Å; K74-Y82 HydrophobicContact CB-CE1 4.45Å; K74-Y82 HydrophobicContact CD-CD1 3.99Å; K74-Y82 HydrophobicContact CD-CE1 3.53Å; F80-Y82 WeakPolarHBondContact O-CD2 3.22Å
83R97.4Very high91.1Very high75 Ų7569.8 Ų69.828%0.28338%0.377SS..EExtended strand (participates in β ladder)trans-136.5128.4-178.9-177.7179.1-71.5-112.99.8111.4N28 E30 G31 E32 I72 K73 V75N28-R83 PolarHBondContact ND2-NH1 3.26Å; N28-R83 PolarHBondContact ND2-NH2 2.93Å; E30-R83 PolarHBondContact O-NH1 3.03Å; E30-R83 IonicContact OE2-CZ 2.99Å; E30-R83 IonicContact OE2-NH1 3.29Å; E30-R83 PolarHBondContact OE2-NH1 3.31Å; E30-R83 VanDerWaalsContact OE2-NH1 3.08Å; E30-R83 IonicContact OE2-NH2 3.51Å; G31-R83 CarbonylContact O-C 3.58Å; G31-R83 WeakPolarHBondContact O-CA 3.42Å; E32-R83 HydrophobicContact CB-CB 4.41Å; E32-R83 HydrophobicContact CB-CG 4.39Å; E32-R83 IonicContact OE2-CZ 2.78Å; E32-R83 VanDerWaalsContact OE2-CZ 3.3Å; E32-R83 IonicContact OE2-NE 3.66Å; E32-R83 PolarHBondContact OE2-NE 3.03Å; E32-R83 VanDerWaalsContact OE2-NE 3.08Å; E32-R83 IonicContact OE2-NH2 2.93Å; E32-R83 PolarHBondContact OE2-NH2 2.74Å; I72-R83 CarbonylContact C-O 3.51Å; I72-R83 VanDerWaalsContact CA-O 3.31Å; I72-R83 WeakPolarHBondContact CA-O 3.31Å; K73-R83 PolarHBondContact N-O 3.38Å; K73-R83 PolarHBondContact O-N 2.94Å; V75-R83 HydrophobicContact CG2-CB 3.97Å
84F97.5Very high88.9Confident3 Ų369.8 Ų69.81%0.01338%0.381CS..EExtended strand (participates in β ladder)trans-68.3132.6167.5-74.7-82.8000109.5W8 L12 L15 W26 G31 F33 I71 I72 I90W8-F84 HydrophobicContact CB-CE1 4.22Å; W8-F84 HydrophobicContact CE3-CE1 4.24Å; L12-F84 HydrophobicContact CB-CZ 3.98Å; L12-F84 HydrophobicContact CD1-CE2 4.15Å; L12-F84 HydrophobicContact CD1-CZ 4.2Å; L15-F84 HydrophobicContact CD1-CE2 4Å; W26-F84 AromaticContact CH2-CD2 3.85Å; W26-F84 HydrophobicContact CH2-CD2 3.85Å; W26-F84 AromaticContact CH2-CE2 3.95Å; W26-F84 HydrophobicContact CH2-CE2 3.95Å; W26-F84 AromaticContact CZ3-CD2 3.89Å; W26-F84 HydrophobicContact CZ3-CD2 3.89Å; W26-F84 HydrophobicContact CZ3-CE2 4.26Å; G31-F84 PolarHBondContact O-N 2.88Å; F33-F84 AromaticContact CD1-CD2 3.61Å; F33-F84 HydrophobicContact CD1-CD2 3.61Å; F33-F84 AromaticContact CD1-CE2 3.61Å; F33-F84 HydrophobicContact CD1-CE2 3.61Å; F33-F84 AromaticContact CE1-CD2 3.51Å; F33-F84 HydrophobicContact CE1-CD2 3.51Å; F33-F84 AromaticContact CE1-CE2 3.37Å; F33-F84 HydrophobicContact CE1-CE2 3.37Å; F33-F84 HydrophobicContact CE1-CG 4.33Å; F33-F84 HydrophobicContact CE1-CZ 4.11Å; F33-F84 HydrophobicContact CZ-CE2 4.13Å; I71-F84 WeakPolarHBondContact O-CA 3.16Å; I72-F84 HydrophobicContact CD1-CD1 4.15Å; I72-F84 HydrophobicContact CD1-CE1 3.69Å; I72-F84 HydrophobicContact CD1-CZ 4.03Å; I72-F84 HydrophobicContact CG1-CD1 3.59Å; I72-F84 HydrophobicContact CG1-CE1 3.68Å; I72-F84 HydrophobicContact CG1-CG 4.19Å; I72-F84 HydrophobicContact CG1-CZ 4.32Å; F84-I90 HydrophobicContact CB-CD1 3.81Å; F84-I90 HydrophobicContact CD1-CD1 3.32Å; F84-I90 HydrophobicContact CD2-CD1 4.43Å; F84-I90 HydrophobicContact CE1-CD1 3.92Å; F84-I90 HydrophobicContact CG-CD1 3.62Å
85V94.3Very high86.4Confident57 Ų5772.4 Ų72.435%0.34541%0.414SS..THydrogen-bonded Turntrans-78.2-32.2-169.9-173.40000112.6N70 I71 K73N70-V85 HydrophobicContact CB-CG1 4.45Å; N70-V85 VanDerWaalsContact O-CB 3.27Å; N70-V85 WeakPolarHBondContact O-CB 3.45Å; N70-V85 WeakPolarHBondContact O-CG2 3.36Å; I71-V85 PolarHBondContact O-N 2.99Å; I71-V85 VanDerWaalsContact O-N 3.08Å; K73-V85 HydrophobicContact CB-CG2 4.27Å; K73-V85 HydrophobicContact CD-CG2 3.71Å; K73-V85 HydrophobicContact CG-CG2 3.68Å
86S88.9Confident83.9Confident62 Ų6274.2 Ų74.243%0.43443%0.431SS..THydrogen-bonded Turntrans-118.548.3-176.3-55.50000111.1D89 I90S86-D89 CarbonylContact O-C 3.23Å; S86-D89 WeakPolarHBondContact O-CA 3.21Å; S86-D89 PolarHBondContact O-N 3.41Å; S86-I90 WeakPolarHBondContact O-CG2 3.36Å; S86-I90 PolarHBondContact O-N 2.84Å
87Y89.5Confident81.5Confident51 Ų5172.1 Ų72.120%0.243%0.433CS..THydrogen-bonded Turntrans-95.7138.4174.1-170.2-87.4000109.9L12 W26 E29 I90 L91L12-Y87 HydrophobicContact CD1-CE2 4.34Å; W26-Y87 AromaticContact CH2-CD2 3.85Å; W26-Y87 HydrophobicContact CH2-CD2 3.85Å; W26-Y87 AromaticContact CH2-CE2 3.45Å; W26-Y87 HydrophobicContact CH2-CE2 3.45Å; W26-Y87 VanDerWaalsContact CH2-CE2 3.45Å; W26-Y87 AromaticContact CH2-CZ 4Å; W26-Y87 AromaticContact CZ2-CE2 3.75Å; W26-Y87 HydrophobicContact CZ2-CE2 3.75Å; W26-Y87 HydrophobicContact CZ3-CD2 4.31Å; W26-Y87 HydrophobicContact CZ3-CE2 4.14Å; E29-Y87 WeakPolarHBondContact O-CD1 3.42Å; E29-Y87 WeakPolarHBondContact O-CE1 3.28Å; Y87-I90 HydrophobicContact CD2-CD1 4.19Å; Y87-I90 HydrophobicContact CD2-CG1 4.11Å; Y87-L91 HydrophobicContact CE2-CD1 3.62Å; Y87-L91 HydrophobicContact CE2-CG 4.03Å
88P84.6Confident79.3Confident60 Ų6077.7 Ų77.739%0.3943%0.425SS..THydrogen-bonded Turncis-84.63.15.635.4-37.5000114.8I90 L91P88-I90 VanDerWaalsContact C-N 3.28Å; P88-I90 PolarHBondContact O-N 2.99Å; P88-L91 HydrophobicContact CB-CD1 4.41Å; P88-L91 VanDerWaalsContact O-CB 3.31Å; P88-L91 WeakPolarHBondContact O-CB 3.48Å; P88-L91 PolarHBondContact O-N 2.85Å
89D84.9Confident77.1Confident95 Ų9580.5 Ų80.551%0.50844%0.44SS..Hα-helixtrans-62.4-28.5-170.5-60.4-44.8000114.2S86 L91 K92 G93S86-D89 CarbonylContact O-C 3.23Å; S86-D89 WeakPolarHBondContact O-CA 3.21Å; S86-D89 PolarHBondContact O-N 3.41Å; D89-L91 PolarHBondContact O-N 3.44Å; D89-L91 VanDerWaalsContact O-N 3.13Å; D89-K92 PolarHBondContact O-N 3.37Å; D89-G93 WeakPolarHBondContact O-CA 3.41Å; D89-G93 PolarHBondContact O-N 3.06Å
90I84.6Confident74.6Confident37 Ų3778.6 Ų78.619%0.1944%0.438CS..Hα-helixtrans-62.8-11.2170.258.7172.8000115.1L12 F84 S86 Y87 P88L12-I90 HydrophobicContact CD1-CD1 4.35Å; L12-I90 HydrophobicContact CD2-CD1 4.06Å; L12-I90 HydrophobicContact CD2-CG1 4.39Å; F84-I90 HydrophobicContact CB-CD1 3.81Å; F84-I90 HydrophobicContact CD1-CD1 3.32Å; F84-I90 HydrophobicContact CD2-CD1 4.43Å; F84-I90 HydrophobicContact CE1-CD1 3.92Å; F84-I90 HydrophobicContact CG-CD1 3.62Å; S86-I90 WeakPolarHBondContact O-CG2 3.36Å; S86-I90 PolarHBondContact O-N 2.84Å; Y87-I90 HydrophobicContact CD2-CD1 4.19Å; Y87-I90 HydrophobicContact CD2-CG1 4.11Å; P88-I90 VanDerWaalsContact C-N 3.28Å; P88-I90 PolarHBondContact O-N 2.99Å
91L81.9Confident72Confident79 Ų7978.7 Ų78.741%0.41446%0.461SS..Hα-helixtrans-87-27.2171.3-63.2172.1000112.3L12 L16 Y87 P88 D89L12-L91 HydrophobicContact CD1-CD2 4.17Å; L12-L91 HydrophobicContact CD2-CD2 4.03Å; L12-L91 HydrophobicContact CG-CD2 4.26Å; L16-L91 HydrophobicContact CD1-CD2 4.15Å; L16-L91 HydrophobicContact CD2-CD2 4.31Å; Y87-L91 HydrophobicContact CE2-CD1 3.62Å; Y87-L91 HydrophobicContact CE2-CG 4.03Å; P88-L91 HydrophobicContact CB-CD1 4.41Å; P88-L91 VanDerWaalsContact O-CB 3.31Å; P88-L91 WeakPolarHBondContact O-CB 3.48Å; P88-L91 PolarHBondContact O-N 2.85Å; D89-L91 PolarHBondContact O-N 3.44Å; D89-L91 VanDerWaalsContact O-N 3.13Å
92K75.5Confident69.6Low165 Ų16581.4 Ų81.472%0.71749%0.489SS*.Hα-helixtrans-89.4-35.8175.4-58.5172.8-174.2166.30110.5D89 D94D89-K92 PolarHBondContact O-N 3.37Å; K92-D94 VanDerWaalsContact C-N 3.3Å; K92-D94 PolarHBondContact O-N 2.81Å
93G61.8Low66.7Low43 Ų4387.9 Ų87.944%0.44353%0.525SS..SBendtrans-7970.8176.800000113.2D89D89-G93 WeakPolarHBondContact O-CA 3.41Å; D89-G93 PolarHBondContact O-N 3.06Å
94D50.1Low63.9Low85 Ų8591.4 Ų91.446%0.45555%0.549SS..  trans98.7129.4132.2-147.8-1.3000119.1K92 A96 R98K92-D94 VanDerWaalsContact C-N 3.3Å; K92-D94 PolarHBondContact O-N 2.81Å; D94-A96 VanDerWaalsContact C-N 3.31Å; D94-A96 WeakPolarHBondContact CB-O 3.46Å; D94-A96 VanDerWaalsContact CG-N 3.29Å; D94-A96 VanDerWaalsContact CG-O 3.25Å; D94-A96 WeakPolarHBondContact OD1-CB 3.44Å; D94-A96 PolarHBondContact OD1-N 3.44Å; D94-R98 VanDerWaalsContact OD2-CG 3.31Å; D94-R98 WeakPolarHBondContact OD2-CG 3.28Å
95A45.4Very low61.1Low117 Ų11794.7 Ų94.797%0.96758%0.583SS**SBendtrans-86.6-4.9165.400000112
96A46.1Very low58.4Low59 Ų5997 Ų9749%0.48861%0.608SS.*SBendtrans-110.4163.5172.800000112.1D94 R98D94-A96 VanDerWaalsContact C-N 3.31Å; D94-A96 WeakPolarHBondContact CB-O 3.46Å; D94-A96 VanDerWaalsContact CG-N 3.29Å; D94-A96 VanDerWaalsContact CG-O 3.25Å; D94-A96 WeakPolarHBondContact OD1-CB 3.44Å; D94-A96 PolarHBondContact OD1-N 3.44Å; A96-R98 PolarHBondContact O-N 2.84Å
97A45.8Very low55.8Low98 Ų9898 Ų9881%0.8163%0.629SS**  trans-86.493.317600000110.5
98R48.9Very low53Low211 Ų21199 Ų9980%0.79666%0.655SS**  trans-109.358.3166.2-65.8-66.1178.5132.4-0.5111.9D94 A96 D100D94-R98 VanDerWaalsContact OD2-CG 3.31Å; D94-R98 WeakPolarHBondContact OD2-CG 3.28Å; A96-R98 PolarHBondContact O-N 2.84Å; R98-D100 PolarHBondContact O-N 3.32Å
99M50Low50.5Low137 Ų137103.1 Ų103.168%0.67568%0.679SS**  trans-69.682.1145.2-86.6-16860.900107.6K69K69-M99 VanDerWaalsContact CE-SD 3.58Å; K69-M99 PolarHBondContact NZ-SD 3.22Å
100D44.5Very low48Very low129 Ų129106.2 Ų106.269%0.6969%0.694SS**  trans-64.6155.5161.8177.245.9000110.3R98 G102R98-D100 PolarHBondContact O-N 3.32Å; D100-G102 PolarHBondContact OD1-N 3.37Å; D100-G102 VanDerWaalsContact OD1-N 3.12Å
101G44.3Very low46.3Very low81 Ų81110.3 Ų110.384%0.83572%0.723SS**  trans-169.633.9175.700000111.7
102G47.2Very low43.9Very low57 Ų57111 Ų11159%0.58874%0.74SS**SBendtrans-177.474.6-175.700000117.3D100D100-G102 PolarHBondContact OD1-N 3.37Å; D100-G102 VanDerWaalsContact OD1-N 3.12Å
103D37.2Very low41.7Very low145 Ų145109.5 Ų109.578%0.77575%0.745SS**  trans81.6149.2133.7-148.4-160.8000120.5
104D38.8Very low40.3Very low149 Ų149112.1 Ų112.180%0.79776%0.762SS**  trans34.2127.6169.7-91.7-22.2000123.5
105G39.7Very low39.5Very low71 Ų71116.1 Ų116.173%0.73278%0.776SS**  106.396.6117.800000120
106A36.9Very low38.7Very low105 Ų105120.4 Ų120.487%0.86877%0.767SS**  trans52.595.5144.900000120.7
107G33.1Very low38.2Very low85 Ų85125.1 Ų125.188%0.87678%0.783SS**  72.9110.9113.900000121.5
108G32Very low37.3Very low72 Ų72128.5 Ų128.574%0.74279%0.788SS**  122.2124.8128.400000119.1
109V32.5Very low36.4Very low146 Ų146121.1 Ų121.189%0.88578%0.777SS**  trans73.1127.2149-169.50000119
110L32.3Very low35.6Very low159 Ų159121.4 Ų121.483%0.83279%0.787SS**  trans-120.3177.2163.2-61.8171.6000107.6
111P49.1Very low34.9Very low123 Ų123121.6 Ų121.680%0.79979%0.787SS**  -128.8169.2-57.637.9-24.3000111.6
112A30.5Very low34.7Very low94 Ų94125.7 Ų125.778%0.77779%0.789SS**  trans-137.7100.1176.800000114.6
113T29.1Very low33.9Very low134 Ų134131.2 Ų131.282%0.82280%0.799SS**  trans17.1144.5144.158.20000123.3
114A32.9Very low33.8Very low97 Ų97131.4 Ų131.480%0.80281%0.806SS**  trans79.8155.7146.400000119.1
115K33.6Very low33.4Very low169 Ų169132.2 Ų132.274%0.73581%0.805SS**  cis-175139.4-24.3168.9173.7179.3179.70110.3
116R27.9Very low33Very low207 Ų207133.4 Ų133.478%0.78180%0.802SS**  trans67.3139.9173-76.8-175.6174.9172.3-4114.6
117L35.9Very low33Very low158 Ų158133.2 Ų133.283%0.82780%0.8SS**  cis85.6136.346.1-70.5-176.3000114
118D27.6Very low33.1Very low169 Ų169136.5 Ų136.590%0.90480%0.797SS**  trans70.8160.9174.5-118.869.6000117.9
119G30Very low33.7Very low56 Ų56144.6 Ų144.658%0.57781%0.806SS**  trans-162-176.7-170.700000112.4
120T31.6Very low33.9Very low144 Ų144146.8 Ų146.888%0.88380%0.803SS**  trans-156.1143.6174.2-77.30000110.4
121L31.4Very low34Very low133 Ų133144.3 Ų144.370%0.69681%0.806SS**  trans-77.3137.9175165.5153.3000110.8
122L39.3Very low33.1Very low167 Ų167142.2 Ų142.287%0.87481%0.807SS**  trans-146.2127.9148.5-79.9-174000109.3
123E29.8Very low33.5Very low172 Ų172143.7 Ų143.780%0.80481%0.811SS**  trans-84.4144.5168.7-63.8-179.890.200110.6
124V36.8Very low33.9Very low149 Ų149141 Ų14190%0.90381%0.81SS**  trans-138.4139152.7-178.10000107.7
125E29.8Very low34.8Very low167 Ų167142.3 Ų142.378%0.7881%0.81SS**  trans-92.4162.4-165.8-152.3-153.680.600113.9
126S31.6Very low35.4Very low95 Ų95139.3 Ų139.366%0.66482%0.817SS**  trans52.1118.2150.9-75.10000121.7
127A35.7Very low35.9Very low101 Ų101134.3 Ų134.384%0.83582%0.82SS**  -171.8130.8107.300000112.8
128D35.7Very low36.6Very low154 Ų154135.6 Ų135.682%0.82483%0.827SS**  trans-86.9130.6175.4-161.7-60.2000111.4
129R44.1Very low37.1Very low242 Ų242130.7 Ų130.791%0.91382%0.815SS**  trans-145.5146.1165.2-72.6-161.1176-167.3-0.9111.8
130K36.4Very low38Very low193 Ų193134 Ų13484%0.83983%0.83SS**  trans-127.8155.5-163.4-177171.8-179.7172.80113.3
131A35.4Very low38.7Very low106 Ų106131.4 Ų131.488%0.87682%0.818SS**  trans80.8147.7166.600000118.3
132G31.1Very low40Very low80 Ų80131.5 Ų131.583%0.82582%0.824SS**  trans143.3112.718000000111
133S38.3Very low41.1Very low125 Ų125132.2 Ų132.287%0.87482%0.82SS**  trans-120.6119.5-172.460.20000114.1
134G37.3Very low42.7Very low76 Ų76132.8 Ų132.878%0.78482%0.823SS**  trans81.1175.116600000116
135P51.4Low44.5Very low126 Ų126131 Ų13182%0.81882%0.817SS**  cis-112.3171.52.640.1-30.8000114.8
136A45.8Very low47.2Very low105 Ų105127.7 Ų127.787%0.86881%0.805SS**  trans30.6111.6155.400000120.7
137A39.2Very low50.1Low102 Ų102133.7 Ų133.784%0.84381%0.812SS**  trans-140.7146.2153.500000110G139A137-G139 PolarHBondContact O-N 3.39Å
138L50.6Low52.9Low186 Ų186132.4 Ų132.497%0.97479%0.792SS**  trans-70.9120.8174-79.579.9000109.3
139G37.7Very low55.6Low65 Ų65129.3 Ų129.367%0.6778%0.775SS**  trans-123.4101.2171.100000110.6A137 S141A137-G139 PolarHBondContact O-N 3.39Å; G139-S141 PolarHBondContact O-N 3.02Å
140S49.8Very low58Low126 Ų126123.1 Ų123.188%0.88175%0.752SS**  trans-71.963.7156.8-166.70000108.6T142S140-T142 PolarHBondContact O-N 3.48Å
141S46.7Very low60.7Low90 Ų90117.1 Ų117.163%0.62973%0.729SS**  trans-71.4119.8171.5-1790000106.8G139 K143G139-S141 PolarHBondContact O-N 3.02Å; S141-K143 PolarHBondContact O-N 2.96Å
142T58Low63.4Low134 Ų134119.7 Ų119.782%0.82272%0.722SS**  trans-66.670.1168.4-46.90000109.1S140 Q144S140-T142 PolarHBondContact O-N 3.48Å; T142-Q144 PolarHBondContact O-N 3.02Å
143K61.9Low66.4Low182 Ų182118.9 Ų118.979%0.79170%0.704SS**PPolyproline II helixtrans-55.5116.6173.5-93.1-173.1171.8-178.20107.2S141 S145S141-K143 PolarHBondContact O-N 2.96Å; K143-S145 PolarHBondContact O-N 3.19Å; K143-S145 VanDerWaalsContact O-N 3.15Å
144Q63.7Low69Low185 Ų185116.3 Ų116.386%0.86470%0.697SS**PPolyproline II helixtrans-51.3122.7166.1-64.6173.8-7.300106.9T142 N146T142-Q144 PolarHBondContact O-N 3.02Å; Q144-N146 PolarHBondContact O-N 3.04Å
145S74.9Confident71.6Confident111 Ų111120.2 Ų120.278%0.77670%0.699SS**PPolyproline II helixtrans-57.3117.3-175.739.20000109K143 R147K143-S145 PolarHBondContact O-N 3.19Å; K143-S145 VanDerWaalsContact O-N 3.15Å; S145-R147 PolarHBondContact O-N 3.07Å
146N85.8Confident73.7Confident98 Ų98119.2 Ų119.252%0.52468%0.68SS.*PPolyproline II helixtrans-71.9132.2-177.2-171.4-42.1000107.1Q144 N148 D149Q144-N146 PolarHBondContact O-N 3.04Å; N146-N148 PolarHBondContact O-N 3.26Å; N146-N148 PolarHBondContact OD1-N 3.23Å; N146-D149 PolarHBondContact N-OD2 3.02Å; N146-D149 WeakPolarHBondContact O-CB 3.15Å; N146-D149 PolarHBondContact O-N 3.01Å
147R91.9Very high76Confident220 Ų220119.5 Ų119.583%0.8367%0.671SS**THydrogen-bonded Turntrans-50.2-26.5178.2179173.3171.980.42.6112.6S145 Y150S145-R147 PolarHBondContact O-N 3.07Å; R147-Y150 WeakPolarHBondContact O-CD1 3.36Å; R147-Y150 WeakPolarHBondContact O-CE1 3.29Å
148N94.1Very high78.6Confident74 Ų74118.9 Ų118.940%0.39666%0.661SS.*THydrogen-bonded Turntrans-99.85-177.9-63.7-21000115.3N146 Y150 I151N146-N148 PolarHBondContact O-N 3.26Å; N146-N148 PolarHBondContact OD1-N 3.23Å; N148-Y150 PolarHBondContact O-N 2.97Å; N148-I151 HydrophobicContact CB-CD1 4.05Å; N148-I151 HydrophobicContact CB-CG1 4.48Å; N148-I151 WeakPolarHBondContact O-CB 3.43Å; N148-I151 PolarHBondContact O-N 3.44Å
149D93.6Very high80.5Confident89 Ų89115.9 Ų115.948%0.47664%0.64SS.*Hα-helixtrans-56.9-26.8179-76.1-32.5000112.7N146 I151 H152 S153N146-D149 PolarHBondContact N-OD2 3.02Å; N146-D149 WeakPolarHBondContact O-CB 3.15Å; N146-D149 PolarHBondContact O-N 3.01Å; D149-I151 PolarHBondContact O-N 2.79Å; D149-H152 PolarHBondContact O-N 3.02Å; D149-S153 PolarHBondContact O-N 3.16Å
150Y94.2Very high83Confident112 Ų112119 Ų11944%0.43964%0.637SS.*Hα-helixtrans-57.8-34.1173.572.4-88000112.8R147 N148 H152 S153 Y156R147-Y150 WeakPolarHBondContact O-CD1 3.36Å; R147-Y150 WeakPolarHBondContact O-CE1 3.29Å; N148-Y150 PolarHBondContact O-N 2.97Å; Y150-H152 VanDerWaalsContact C-N 3.28Å; Y150-H152 PolarHBondContact O-N 3Å; Y150-S153 WeakPolarHBondContact O-CB 3.39Å; Y150-S153 PolarHBondContact O-N 3.19Å; Y150-S153 PolarHBondContact O-OG 3.26Å; Y150-Y156 HydrophobicContact CD2-CD1 4.42Å; Y150-Y156 AromaticContact CD2-CD2 3.6Å; Y150-Y156 HydrophobicContact CD2-CD2 3.6Å; Y150-Y156 HydrophobicContact CD2-CE2 4.1Å; Y150-Y156 AromaticContact CD2-CG 3.77Å; Y150-Y156 HydrophobicContact CD2-CG 3.77Å; Y150-Y156 HydrophobicContact CE2-CD1 4.38Å; Y150-Y156 AromaticContact CE2-CD2 3.7Å; Y150-Y156 HydrophobicContact CE2-CD2 3.7Å; Y150-Y156 HydrophobicContact CE2-CE1 4.36Å; Y150-Y156 AromaticContact CE2-CE2 3.69Å; Y150-Y156 HydrophobicContact CE2-CE2 3.69Å; Y150-Y156 HydrophobicContact CE2-CG 4.05Å; Y150-Y156 WeakPolarHBondContact O-CB 3.34Å
151I94Very high84.7Confident67 Ų67119.3 Ų119.334%0.34463%0.628SS.*Hα-helixtrans-64.7-35.2-178.5-57.4-179000111N148 D149 Y156N148-I151 HydrophobicContact CB-CD1 4.05Å; N148-I151 HydrophobicContact CB-CG1 4.48Å; N148-I151 WeakPolarHBondContact O-CB 3.43Å; N148-I151 PolarHBondContact O-N 3.44Å; D149-I151 PolarHBondContact O-N 2.79Å; I151-Y156 HydrophobicContact CB-CD1 4.24Å; I151-Y156 HydrophobicContact CG1-CD1 4.2Å; I151-Y156 HydrophobicContact CG1-CE1 4.27Å; I151-Y156 HydrophobicContact CG2-CD1 4.11Å; I151-Y156 HydrophobicContact CG2-CE1 4.37Å
152H92.1Very high86.5Confident160 Ų160121.6 Ų121.674%0.74163%0.633SS**Hα-helixtrans-95.50.2-178.1-57-58.4000113.6D149 Y150 G154D149-H152 PolarHBondContact O-N 3.02Å; Y150-H152 VanDerWaalsContact C-N 3.28Å; Y150-H152 PolarHBondContact O-N 3Å; H152-G154 PolarHBondContact O-N 3.34Å
153S92.9Very high87.5Confident63 Ų63119.1 Ų119.144%0.44162%0.621SS.*SBendtrans-67.1-12.1-178.868.30000115.3D149 Y150 L155 Y156D149-S153 PolarHBondContact O-N 3.16Å; Y150-S153 WeakPolarHBondContact O-CB 3.39Å; Y150-S153 PolarHBondContact O-N 3.19Å; Y150-S153 PolarHBondContact O-OG 3.26Å; S153-L155 PolarHBondContact O-N 3.32Å; S153-L155 VanDerWaalsContact O-N 3.15Å; S153-L155 PolarHBondContact OG-N 3.15Å; S153-L155 VanDerWaalsContact OG-N 3.12Å; S153-Y156 PolarHBondContact OG-N 3.12Å
154G92.4Very high88.4Confident71 Ų71114.3 Ų114.373%0.73260%0.604SS**SBendtrans71.6-7.5-168.400000114.7H152H152-G154 PolarHBondContact O-N 3.34Å
155L93.7Very high88.7Confident158 Ų158111.5 Ų111.583%0.82760%0.602SS**SBendtrans-95.9-21.5176.8-56.2178.6000112.6S153S153-L155 PolarHBondContact O-N 3.32Å; S153-L155 VanDerWaalsContact O-N 3.15Å; S153-L155 PolarHBondContact OG-N 3.15Å; S153-L155 VanDerWaalsContact OG-N 3.12Å
156Y94.5Very high88.1Confident105 Ų105111.9 Ų111.941%0.41260%0.595SS.*  trans-82.2127.4171.5-179.7-104.3000110.5Y150 I151 S153Y150-Y156 HydrophobicContact CD2-CD1 4.42Å; Y150-Y156 AromaticContact CD2-CD2 3.6Å; Y150-Y156 HydrophobicContact CD2-CD2 3.6Å; Y150-Y156 HydrophobicContact CD2-CE2 4.1Å; Y150-Y156 AromaticContact CD2-CG 3.77Å; Y150-Y156 HydrophobicContact CD2-CG 3.77Å; Y150-Y156 HydrophobicContact CE2-CD1 4.38Å; Y150-Y156 AromaticContact CE2-CD2 3.7Å; Y150-Y156 HydrophobicContact CE2-CD2 3.7Å; Y150-Y156 HydrophobicContact CE2-CE1 4.36Å; Y150-Y156 AromaticContact CE2-CE2 3.69Å; Y150-Y156 HydrophobicContact CE2-CE2 3.69Å; Y150-Y156 HydrophobicContact CE2-CG 4.05Å; Y150-Y156 WeakPolarHBondContact O-CB 3.34Å; I151-Y156 HydrophobicContact CB-CD1 4.24Å; I151-Y156 HydrophobicContact CG1-CD1 4.2Å; I151-Y156 HydrophobicContact CG1-CE1 4.27Å; I151-Y156 HydrophobicContact CG2-CD1 4.11Å; I151-Y156 HydrophobicContact CG2-CE1 4.37Å; S153-Y156 PolarHBondContact OG-N 3.12Å
157T94.2Very high86.8Confident112 Ų112110.6 Ų110.669%0.68760%0.604SS**  trans-132.1139.8171.1-178.50000109.2
158S93.3Very high85.1Confident88 Ų88110.3 Ų110.362%0.61560%0.604SS**  trans-127.4140.7176.959.90000109.8
159F90.8Very high83.5Confident124 Ų124113.5 Ų113.554%0.54462%0.616SS.*  trans-146.8150.7178.857.8-92.7000109.5L164F159-L164 HydrophobicContact CD2-CD2 4.24Å; F159-L164 HydrophobicContact CD2-CG 4.22Å; F159-L164 HydrophobicContact CE2-CD1 3.92Å; F159-L164 HydrophobicContact CE2-CD2 3.99Å; F159-L164 HydrophobicContact CE2-CG 3.99Å
160H89.6Confident81.7Confident129 Ų129116.5 Ų116.560%0.59763%0.631SS**  trans-77.8146.1170.8-149.5-87.1000109.2N162 S163H160-N162 PolarHBondContact CE1-OD1 3.09Å; H160-N162 PolarHBondContact ND1-OD1 3.23Å; H160-N162 PolarHBondContact O-N 2.98Å; H160-N162 VanDerWaalsContact O-N 3.15Å; H160-S163 VanDerWaalsContact O-CB 3.22Å; H160-S163 WeakPolarHBondContact O-CB 3.14Å; H160-S163 PolarHBondContact O-N 3.36Å; H160-S163 PolarHBondContact O-OG 2.78Å
161L85.4Confident79.9Confident134 Ų134118.9 Ų118.970%0.70264%0.644SS**G310 helixtrans-58.4-32.7179.9-65.5175.5000112.3S163 L164L161-S163 PolarHBondContact O-N 2.81Å; L161-L164 WeakPolarHBondContact O-CB 3.44Å; L161-L164 PolarHBondContact O-N 3.27Å
162N84.4Confident78.4Confident138 Ų138124.8 Ų124.874%0.73867%0.667SS**G310 helixtrans-67-16.7175.4-53.549.8000113.5H160 L164H160-N162 PolarHBondContact CE1-OD1 3.09Å; H160-N162 PolarHBondContact ND1-OD1 3.23Å; H160-N162 PolarHBondContact O-N 2.98Å; H160-N162 VanDerWaalsContact O-N 3.15Å; N162-L164 VanDerWaalsContact C-N 3.25Å; N162-L164 PolarHBondContact O-N 3.42Å
163S80.6Confident76.7Confident82 Ų82122.5 Ų122.557%0.57367%0.669SS**G310 helixtrans-79.7-5.2175.4-51.70000112.9H160 L161 P165H160-S163 VanDerWaalsContact O-CB 3.22Å; H160-S163 WeakPolarHBondContact O-CB 3.14Å; H160-S163 PolarHBondContact O-N 3.36Å; H160-S163 PolarHBondContact O-OG 2.78Å; L161-S163 PolarHBondContact O-N 2.81Å; S163-P165 WeakPolarHBondContact O-CD 3.29Å
164L80.3Confident75.2Confident81 Ų81126.7 Ų126.742%0.42469%0.685SS.*  trans-86.1107.4172.2-63.6176.1000109.8F159 L161 N162 N166F159-L164 HydrophobicContact CD2-CD2 4.24Å; F159-L164 HydrophobicContact CD2-CG 4.22Å; F159-L164 HydrophobicContact CE2-CD1 3.92Å; F159-L164 HydrophobicContact CE2-CD2 3.99Å; F159-L164 HydrophobicContact CE2-CG 3.99Å; L161-L164 WeakPolarHBondContact O-CB 3.44Å; L161-L164 PolarHBondContact O-N 3.27Å; N162-L164 VanDerWaalsContact C-N 3.25Å; N162-L164 PolarHBondContact O-N 3.42Å; L164-N166 PolarHBondContact O-N 2.71Å
165P69.5Low73.5Confident126 Ų126132.6 Ų132.682%0.81869%0.691SS**THydrogen-bonded Turntrans-73.43.6-168.230.3-37.4000115.2S163S163-P165 WeakPolarHBondContact O-CD 3.29Å
166N63.5Low72.1Confident119 Ų119131 Ų13164%0.63669%0.688SS**THydrogen-bonded Turntrans-159.867.8179.5-115.8-34.7000113.3L164 R168L164-N166 PolarHBondContact O-N 2.71Å; N166-R168 PolarHBondContact O-N 2.99Å
167G58.3Low70.3Confident70 Ų70134.1 Ų134.172%0.72271%0.706SS**THydrogen-bonded Turntrans-6627.7-178.200000117.3
168R56.3Low68.2Low215 Ų215133.3 Ų133.381%0.81170%0.697SS**THydrogen-bonded Turntrans-139.5-0.1-176.6-81.9-168.9159.6-147.7-6.9116.4N166N166-R168 PolarHBondContact O-N 2.99Å
169Q59.6Low66.4Low140 Ų140134.5 Ų134.565%0.65470%0.703SS**  trans-127.117.8-171.7-70.6-7314.400115.1F171Q169-F171 VanDerWaalsContact C-N 3.34Å
170L57.2Low64.4Low153 Ų153131.7 Ų131.780%0.80170%0.703SS**SBendtrans-81.9-7.4-179-69.8177000114.6
171F55.9Low62.7Low161 Ų161132.9 Ų132.971%0.70671%0.708SS**  trans-115.390.4170.57.9-92.5000109.7Q169 S173Q169-F171 VanDerWaalsContact C-N 3.34Å; F171-S173 VanDerWaalsContact C-N 3.31Å; F171-S173 PolarHBondContact O-N 2.78Å; F171-S173 VanDerWaalsContact O-N 3.09Å
172K62.8Low61Low192 Ų192135.3 Ų135.384%0.83571%0.713SS**  trans-67.199.2150.2-71.8-175.6179.3-179.30106.2I174K172-I174 PolarHBondContact O-N 3.1Å
173S55.9Low59.4Low112 Ų112135.7 Ų135.778%0.78372%0.715SS**  trans-52.4112-178.6-580000110.3F171 K175F171-S173 VanDerWaalsContact C-N 3.31Å; F171-S173 PolarHBondContact O-N 2.78Å; F171-S173 VanDerWaalsContact O-N 3.09Å; S173-K175 PolarHBondContact O-N 3.18Å
174I61.3Low58Low151 Ų151135.2 Ų135.277%0.77472%0.716SS**  trans-62110.3170.6-64.3174.2000105.8K172 V176K172-I174 PolarHBondContact O-N 3.1Å; I174-V176 VanDerWaalsContact C-N 3.34Å; I174-V176 PolarHBondContact O-N 3.31Å
175K57.6Low56.4Low194 Ų194138.9 Ų138.984%0.84373%0.731SS**  trans-70.498.5173.7-177.2153.768.8167.80107.5S173 E177S173-K175 PolarHBondContact O-N 3.18Å; K175-E177 PolarHBondContact O-N 2.9Å
176V62.5Low55.6Low126 Ų126143.4 Ų143.476%0.76473%0.731SS**  trans-65.1101.1171.2179.90000107.3I174 N178I174-V176 VanDerWaalsContact C-N 3.34Å; I174-V176 PolarHBondContact O-N 3.31Å; V176-N178 PolarHBondContact O-N 3.16Å
177E58.1Low54.7Low170 Ų170148.7 Ų148.779%0.79474%0.742SS**  trans-65.7127.8169-170.9176.5134.600108.5K175 P179K175-E177 PolarHBondContact O-N 2.9Å; E177-P179 VanDerWaalsContact O-CD 3.31Å; E177-P179 WeakPolarHBondContact O-CD 3.36Å
178N48.5Very low54.1Low94 Ų94149.1 Ų149.150%0.50374%0.739SS.*  trans-85.6111-177.1179.69.8000109.8V176 A180V176-N178 PolarHBondContact O-N 3.16Å; N178-A180 PolarHBondContact O-N 2.64Å; N178-A180 WeakPolarHBondContact OD1-CB 3.48Å; N178-A180 PolarHBondContact OD1-N 3.46Å
179P55.8Low53.5Low114 Ų114143.2 Ų143.274%0.7474%0.737SS**THydrogen-bonded Turntrans-69.6-3.8-17529.6-36.2000114.3E177 E181E177-P179 VanDerWaalsContact O-CD 3.31Å; E177-P179 WeakPolarHBondContact O-CD 3.36Å; P179-E181 PolarHBondContact O-N 2.85Å
180A49.5Very low52.7Low65 Ų65141.5 Ų141.554%0.53774%0.74SS.*THydrogen-bonded Turntrans-67.2-30.4-179.200000114.3N178 K182N178-A180 PolarHBondContact O-N 2.64Å; N178-A180 WeakPolarHBondContact OD1-CB 3.48Å; N178-A180 PolarHBondContact OD1-N 3.46Å; A180-K182 VanDerWaalsContact C-N 3.34Å; A180-K182 PolarHBondContact O-N 3.44Å
181E53.8Low52Low153 Ų153142.7 Ų142.772%0.71574%0.742SS**G310 helixtrans-70.2-31.6-171.1-62.6-177.216400112.4P179 L183 A184P179-E181 PolarHBondContact O-N 2.85Å; E181-L183 PolarHBondContact O-N 3.32Å; E181-A184 PolarHBondContact O-N 3.18Å
182K49.3Very low51.1Low186 Ų186144.5 Ų144.581%0.80975%0.752SS**G310 helixtrans-72.15.8-174.6-153.4168.7-174.31690115.2A180A180-K182 VanDerWaalsContact C-N 3.34Å; A180-K182 PolarHBondContact O-N 3.44Å
183L51.3Low49.6Very low146 Ų146140.5 Ų140.576%0.76475%0.748SS**G310 helixtrans-112.1-12.6176.3-120.4167.3000113.8E181E181-L183 PolarHBondContact O-N 3.32Å
184A50.3Low48.4Very low72 Ų72143.2 Ų143.260%0.59575%0.749SS**THydrogen-bonded Turntrans-74.9-45.2176.700000112E181 R186 R187E181-A184 PolarHBondContact O-N 3.18Å; A184-R186 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 3.19Å; A184-R187 PolarHBondContact O-N 3.02Å
185E48.7Very low47Very low158 Ų158143.4 Ų143.474%0.73875%0.746SS**G310 helixtrans-66.2-32.5-169.9-162.6165.7-136.900113.2R187 A188E185-R187 PolarHBondContact O-N 2.89Å; E185-A188 PolarHBondContact O-N 2.88Å; E185-A188 VanDerWaalsContact O-N 3.17Å
186R51.6Low46.2Very low221 Ų221141.4 Ų141.483%0.83474%0.743SS**G310 helixtrans-72.28.8177.3-146.4-164-176.8-77.11.2114.5A184A184-R186 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 3.19Å
187R45.5Very low45.9Very low229 Ų229140.7 Ų140.786%0.86474%0.741SS**G310 helixtrans-115.9-7.6172-144.1-178.9-169.597.91.1114.1A184 E185A184-R187 PolarHBondContact O-N 3.02Å; E185-R187 PolarHBondContact O-N 2.89Å
188A45Very low44.6Very low80 Ų80137.6 Ų137.666%0.66174%0.738SS**THydrogen-bonded Turntrans-91-31.517600000112.9E185 S190E185-A188 PolarHBondContact O-N 2.88Å; E185-A188 VanDerWaalsContact O-N 3.17Å; A188-S190 PolarHBondContact O-N 2.72Å
189A42.9Very low43.8Very low91 Ų91140.2 Ų140.275%0.75275%0.751SS**SBendtrans-7849-175.700000114.4
190S42.9Very low42.9Very low104 Ų104141.4 Ų141.473%0.72775%0.751SS**SBendtrans-147.331.7177.6-69.60000113.7A188A188-S190 PolarHBondContact O-N 2.72Å
191Q42.9Very low42.2Very low178 Ų178146.4 Ų146.483%0.83276%0.763SS**SBendtrans-158.870.3174.9-136.9163.695.900114.2
192Q36.4Very low41.4Very low198 Ų198143.1 Ų143.193%0.92576%0.762SS**  trans-176.6143.7143.2-102.4159.512.800110.6
193S30.9Very low41Very low108 Ų108139.7 Ų139.776%0.75576%0.759SS**  trans-125.5172.3175.8-61.40000108.7
194Q32.8Very low41.1Very low170 Ų170138.1 Ų138.179%0.79476%0.758SS**  trans71.9137169.6-81.8178.5-86.600114.9
195E29.9Very low40.3Very low155 Ų155139 Ų13972%0.72476%0.764SS**  cis-132.7-145.33.9-68.8-140.7132.900114.4
196I41.7Very low39.5Very low152 Ų152137.7 Ų137.778%0.77977%0.767SS**  trans-118.7-163.2-144.5-17-178.6000114
197P56.5Low38.5Very low111 Ų111131.6 Ų131.672%0.72176%0.764SS**  -126.3176.7-125.344.8-27.2000118
198S31.1Very low38.4Very low105 Ų105128.7 Ų128.773%0.73477%0.765SS**  trans-164.9134.8153.4-82.70000109.3
199L32.1Very low38.5Very low148 Ų148131 Ų13178%0.77577%0.774SS**  59.5126.272.2-60.9171000111.8
200L36.2Very low38.1Very low140 Ų140131.8 Ų131.873%0.73377%0.774SS**  cis-160.7166.62.8-97.1168.4000106.8
201Q35Very low37.6Very low169 Ų169132.3 Ų132.379%0.7977%0.772SS**  cis-153.4-1560.7-148.3161.1-18.700106
202A36.8Very low37.4Very low84 Ų84131 Ų13169%0.69477%0.769SS**  cis-158.7170.1-1.600000111.1
203P41.2Very low37.6Very low115 Ų115130.3 Ų130.375%0.74776%0.763SS**  trans-115.8-158.4-179.646.9-35.9000111.8
204P52.4Low37.8Very low113 Ų113134.9 Ų134.973%0.73477%0.77SS**  cis-135.8179.7-10.942.5-26000116.4
205A33.8Very low37.8Very low89 Ų89129.7 Ų129.774%0.73676%0.762SS**  trans69161.5154.200000118
206T31Very low38Very low131 Ų131130.2 Ų130.280%0.80477%0.769SS**  cis-152.4146.524.8-54.40000114.1
207A32.5Very low38.1Very low93 Ų93128 Ų12877%0.76977%0.768SS**  trans62.5138.3158.100000123.3
208L41.7Very low37.4Very low169 Ų169128.5 Ų128.589%0.88577%0.771SS**  trans-111.3157.8159.2-63.4172.6000109
209P47Very low37.9Very low129 Ų129129.4 Ų129.484%0.83877%0.774SS**  -148.4170.6112.136-20.1000113.6
210S34.4Very low38.1Very low107 Ų107131 Ų13175%0.74878%0.775SS**  cis-160138.5-27.4-177.60000110.2
211V32.6Very low38.1Very low114 Ų114130 Ų13069%0.69178%0.777SS**  trans7.7124154.5-173.70000119.7K213V211-K213 HydrophobicContact CG1-CB 4.04Å
212I39.5Very low38Very low151 Ų151129.7 Ų129.777%0.77478%0.78SS**  -125.4121.5123.7-62.4-176.1000108.1F214I212-F214 HydrophobicContact CG2-CD2 3.85Å; I212-F214 HydrophobicContact CG2-CE2 3.84Å
213K39.7Very low37.9Very low184 Ų184130.4 Ų130.480%0.879%0.786SS**  trans-121.997.1179.8178.8-177.6176.5179.60109.5V211 G215V211-K213 HydrophobicContact CG1-CB 4.04Å; K213-G215 PolarHBondContact O-N 3.15Å
214F36.3Very low37.7Very low203 Ų203129.4 Ų129.489%0.8979%0.787SS**  trans-76.7104.8167.5-87-81.3000109.8I212I212-F214 HydrophobicContact CG2-CD2 3.85Å; I212-F214 HydrophobicContact CG2-CE2 3.84Å
215G33.5Very low37.5Very low61 Ų61129.6 Ų129.663%0.62979%0.789SS**  trans-99.7136.7164.900000110.1K213K213-G215 PolarHBondContact O-N 3.15Å
216N33.6Very low38.4Very low166 Ų166130.6 Ų130.689%0.88879%0.788SS**  trans-154117.3149-140.4-2.4000110.5
217S42.9Very low39.5Very low106 Ų106129.9 Ų129.974%0.74179%0.785SS**  trans-148.2107.2176.757.50000108.8
218P42.6Very low40.5Very low122 Ų122130.6 Ų130.679%0.79278%0.782SS**  trans-69.6144.6176.529-33.5000110.6
219P42.3Very low40.2Very low124 Ų124129.6 Ų129.681%0.80578%0.782SS**  trans-81.4160-171.833.1-36.6000113.4
220K35.2Very low39.5Very low182 Ų182126.8 Ų126.879%0.79177%0.77SS**  trans-115.4119167179171.8-178.4173.90109.9
221P36.7Very low39.4Very low119 Ų119130.3 Ų130.377%0.77378%0.777SS**  trans-71.2145.2168.3-16.431.3000111.6
222L33.4Very low39.3Very low161 Ų161132.5 Ų132.584%0.84378%0.78SS**  trans-152.1115.2168.5-166.5101.2000111.5
223A34.2Very low38.7Very low100 Ų100130 Ų13083%0.82677%0.772SS**  trans-171.3157.316500000107.1
224A37.3Very low38.2Very low94 Ų94127.6 Ų127.678%0.77777%0.772SS**  cis-165.1165.6-27.400000106.2
225P47.2Very low38.3Very low117 Ų117125.4 Ų125.476%0.7677%0.769SS**  trans-113.6-151.8-165.447-37.2000111.1
226P53.7Low38.1Very low110 Ų110128.5 Ų128.571%0.71478%0.781SS**  cis-131.4-135.1-27.333.5-9.1000111.1
227P53Low37.9Very low115 Ų115125.9 Ų125.975%0.74778%0.775SS**  -114.7-116.3-70.327.5-4.6000116.2
228P54.2Low37.2Very low108 Ų108128.5 Ų128.570%0.70178%0.78SS**  -139.2169.8-124.145-24.7000118.6
229V35Very low36.5Very low149 Ų149129 Ų12990%0.90378%0.777SS**  trans-174.9166.6145-93.40000109.8
230A31.2Very low35.8Very low69 Ų69127.5 Ų127.557%0.5777%0.769SS**  cis-175.3138-45.900000110.3
231M33.6Very low35.5Very low182 Ų182126.4 Ų126.490%0.89777%0.771SS**  trans64.7168.2165.1-28.1-160-174.100115.2
232E29.3Very low35.2Very low160 Ų160129 Ų12975%0.74877%0.773SS**  cis-150.4174.6-0-143.8-159.6103.700110.4
233T28.6Very low35Very low99 Ų99125.5 Ų125.561%0.60777%0.767SS**  trans21.5134.2143.5-55.70000119.8
234T29.2Very low35.9Very low132 Ų132125.8 Ų125.881%0.8176%0.761SS**  -162.1165.952.9-25.80000113.7
235L36.8Very low36.4Very low157 Ų157126.6 Ų126.682%0.82276%0.758SS**  trans-97.4148.6156.9-73.3167000111
236S30Very low35.8Very low126 Ų126129.1 Ų129.188%0.88176%0.759SS**  trans177.5163.8137.9-83.70000113.5
237S28.6Very low34.7Very low111 Ų111133.1 Ų133.178%0.77676%0.76SS**  trans-113.1178.5173.9-58.20000111.5
238L29.3Very low33.9Very low161 Ų161131.3 Ų131.384%0.84376%0.755SS**  trans88.9111.2156.1-114.977.3000119.6
239D28.5Very low33Very low134 Ų134132.5 Ų132.572%0.71775%0.751SS**  126145102.1-147.9-125.9000120.4
240S26.8Very low33Very low92 Ų92131.9 Ų131.964%0.64374%0.742SS**  trans50.4119.3155.2-74.40000124.1
241L29.1Very low33.4Very low159 Ų159135.6 Ų135.683%0.83275%0.751SS**  trans170.6145.7132-90.2169.4000106.7
242Q29.3Very low33.3Very low173 Ų173133 Ų13381%0.80874%0.74SS**  cis-155.8157.9-10179.563.5-1200107.6
243A30.5Very low33.6Very low87 Ų87130.4 Ų130.472%0.71974%0.736SS**  trans-102.9-171.9-167.700000114.4
244P53Low34Very low107 Ų107134 Ų13470%0.69575%0.745SS**  trans-127.1-170.7-138.346.4-32000115.9
245P48.4Very low34.1Very low110 Ų110133.2 Ų133.271%0.71475%0.745SS**  trans-102140.6142.833.9-24.1000110.4
246Q33.3Very low33.9Very low171 Ų171131 Ų13180%0.79974%0.743SS**  62.8138.559.1-56.7-170.310.900112.2
247R30.6Very low34Very low194 Ų194133 Ų13373%0.73274%0.743SS**  cis-158.9140.427.6179.2153.6-179.6179.6-0.8114.1E249R247-E249 IonicContact CZ-OE2 3.42Å; R247-E249 VanDerWaalsContact CZ-OE2 3.29Å; R247-E249 IonicContact NE-OE2 3.27Å; R247-E249 PolarHBondContact NE-OE2 2.79Å; R247-E249 IonicContact NH2-OE1 3.7Å; R247-E249 IonicContact NH2-OE2 2.78Å; R247-E249 PolarHBondContact NH2-OE2 2.82Å
248A37.5Very low34.3Very low77 Ų77136.2 Ų136.264%0.63675%0.746SS**  trans72.5165.4139.800000123.7
249E35.1Very low35.3Very low133 Ų133133.6 Ų133.662%0.62174%0.738SS**  cis-171.9140.5-23.7-93.21505200102.4R247R247-E249 IonicContact CZ-OE2 3.42Å; R247-E249 VanDerWaalsContact CZ-OE2 3.29Å; R247-E249 IonicContact NE-OE2 3.27Å; R247-E249 PolarHBondContact NE-OE2 2.79Å; R247-E249 IonicContact NH2-OE1 3.7Å; R247-E249 IonicContact NH2-OE2 2.78Å; R247-E249 PolarHBondContact NH2-OE2 2.82Å
250L34.2Very low35.3Very low136 Ų136135.3 Ų135.371%0.71274%0.742SS**  cis-151.4-157.7-2.8-105.4165.1000105.8
251I40.2Very low35.4Very low146 Ų146135.3 Ų135.375%0.74974%0.742SS**  cis-151.5161.311.8-12.9176.1000111.6
252N31.8Very low35.4Very low127 Ų127133.3 Ų133.368%0.67974%0.736SS**  trans-31.1157.6154-56.5-9.7000117.3
253T34.9Very low35.3Very low106 Ų106135.4 Ų135.465%0.6574%0.738SS**  cis-143.5-144.4-0.1-1.60000110
254H36.2Very low35.3Very low174 Ų174136.6 Ų136.681%0.80674%0.741SS**  cis-151.8-179.116.5-73.3-93.7000112
255S31.7Very low34.1Very low116 Ų116139.2 Ų139.281%0.81175%0.748SS**  trans-97.1141.7-171.9-630000116
256S33.3Very low33.5Very low110 Ų110140.3 Ų140.377%0.76974%0.744SS**  68.2143.8129.1-150.10000123.4
257L31.9Very low33.4Very low168 Ų168139.1 Ų139.188%0.8874%0.738SS**  trans73.1148.7163.9-69.1168000120.4
258Q35.3Very low33.3Very low180 Ų180134.4 Ų134.484%0.84174%0.735SS**  trans-102.3-172.6172-40.1179-34.200109.1
259P50.3Low32.8Very low106 Ų106140.8 Ų140.869%0.68874%0.743SS**  cis-134.4-164.6-9.132.7-9.6000114
260Q28.6Very low32.5Very low170 Ų170142 Ų14279%0.79475%0.748SS**  trans92.6141.2154.2-72.1-69.9-3.100122.5
261S29.1Very low32.4Very low92 Ų92141 Ų14164%0.64375%0.753SS**  trans69105.4145.858.90000125.7
262V27.9Very low31.8Very low117 Ų117141.4 Ų141.471%0.70975%0.751SS**  70.2148.8124.4-163.30000121.7
263Y28.5Very low32.6Very low216 Ų216140.9 Ų140.985%0.84776%0.755SS**  trans78125.3177.8-59.6-73.7000116.2
264S29.6Very low32.5Very low112 Ų112139.3 Ų139.378%0.78375%0.753SS**  cis106.7115.18.4-167.50000115.6
265L27.3Very low32.2Very low162 Ų162139.1 Ų139.185%0.84876%0.757SS**  trans-172144.5162.5-155.872.8000109.4
266E35.6Very low32.1Very low133 Ų133137.1 Ų137.162%0.62176%0.755SS**  cis-166.8-168.9-34-160.6-114.5109.300108.4
267H32.2Very low32Very low147 Ų147140 Ų14068%0.68176%0.761SS**  trans83.1127.5171.8-5587.4000116.4
268S28.2Very low33Very low95 Ų95137.4 Ų137.466%0.66475%0.753SS**  cis-154.5148.86.5-88.60000114.6
269R27.7Very low32.5Very low211 Ų211135.6 Ų135.680%0.79675%0.75SS**  trans66.1118.3150.2-72.4-1681311280.1119.7
270Q27.8Very low31.7Very low157 Ų157138 Ų13873%0.73476%0.756SS**  77.5132.477.6-76.4-178.8-32.400113.8
271S32Very low31.7Very low117 Ų117133.7 Ų133.782%0.81876%0.757SS**  cis-160.2169.94.6500000115
272E29.1Very low31.9Very low153 Ų153134.1 Ų134.172%0.71577%0.766SS**  trans-57.2-174.8171.9-115.2-153.6103.900116
273P48.6Very low32.1Very low116 Ų116133 Ų13375%0.75377%0.769SS**  cis-129.8-173.117.946.3-28.6000115.2
274A30.9Very low33.3Very low73 Ų73128 Ų12860%0.60376%0.763SS**  cis-154.5160.213.400000114.1
275L31.9Very low33.3Very low171 Ų171131 Ų13190%0.89577%0.765SS**  trans19.9145.6140-48174.4000120.5
276G28.3Very low33.4Very low74 Ų74128.7 Ų128.776%0.76376%0.757SS**  cis163.1152.32.300000112.3
277L32.2Very low33.3Very low171 Ų171126.3 Ų126.390%0.89576%0.76SS**  trans-51.5170.5177.4-77.7163.4000116.2
278P51.8Low33.4Very low112 Ų112127.5 Ų127.573%0.72777%0.766SS**  cis-145.2-174.213.148.3-30.7000118.1
279D26.2Very low33.4Very low142 Ų142131.8 Ų131.876%0.75978%0.775SS**  trans70.2164.3137.4-136.132.2000126.4
280L32.3Very low33.7Very low158 Ų158125.1 Ų125.183%0.82777%0.772SS**  trans-53.4156.7-176.6-63.7158.1000117.8
281G28.9Very low34Very low79 Ų79124.2 Ų124.281%0.81477%0.772SS**  trans160.1148.7160.600000113.1
282A33.2Very low33.9Very low100 Ų100126.7 Ų126.783%0.82677%0.773SS**  trans-138.3157.9-178.500000113.3
283A32.9Very low34.1Very low94 Ų94125.3 Ų125.378%0.77778%0.775SS**  trans74.2172.7169.800000116.1
284P53.4Low33.2Very low111 Ų111125.2 Ų125.272%0.72178%0.777SS**  -140.2-179.1-6841-26.1000116.1
285E28.1Very low33.6Very low176 Ų176126 Ų12682%0.82278%0.779SS**  trans88.5156.8141.2-132.1-178.5109.400122.6
286V30.4Very low33.8Very low112 Ų112125.4 Ų125.468%0.67978%0.776SS**  trans60.996.7166.5-168.30000117.2
287A34.4Very low34Very low83 Ų83125.6 Ų125.669%0.68678%0.778SS**  73.6164.289.600000114.4
288Q34Very low34.1Very low172 Ų172126.2 Ų126.280%0.80478%0.776SS**  cis-152176.27.6-145.8144.8-46.900106.7
289E27.3Very low33.3Very low186 Ų186126 Ų12687%0.86978%0.777SS**  cis-117.4-135.68.3-52.4-174.973.600111.2
290G33.9Very low33.6Very low70 Ų70123.2 Ų123.272%0.72278%0.783SS**  cis143.3135.90.700000109.6
291N34.1Very low33.7Very low138 Ų138119.2 Ų119.274%0.73878%0.779SS**  cis-148.2157.51.6-158.613.8000105.8
292M31Very low34.3Very low169 Ų169121.8 Ų121.883%0.83379%0.785SS**  178.4172.26456.9-161.275.600112.1
293T32.2Very low34Very low124 Ų124120.7 Ų120.776%0.76178%0.784SS**  trans-120.4154.8-152.8-47.90000114.8
294S31Very low34.3Very low114 Ų114121.8 Ų121.880%0.79779%0.786SS**  trans147.1166.2145.4550000113.5
295S38.8Very low33.2Very low91 Ų91123.1 Ų123.164%0.63679%0.792SS**  -174.5140.1-51.7-126.80000110.5
296D35.5Very low33.6Very low157 Ų157122.3 Ų122.384%0.8479%0.788SS**  trans54.9157.3149.6-51.6-62000122.7
297G33.3Very low34.8Very low78 Ų78122.4 Ų122.480%0.80479%0.791SS**  trans145.389.3158.100000121.8
298E33.6Very low34.8Very low184 Ų184122.6 Ų122.686%0.8679%0.792SS**  trans30.2127143-72.3-16767.300127.8
299S35.8Very low34.7Very low107 Ų107118 Ų11875%0.74878%0.784SS**  56.1126.5112.4-480000126.3
300G30.5Very low35.2Very low85 Ų85116.8 Ų116.888%0.87678%0.783SS**  trans88.5143.1148.700000117.7
301G35.9Very low34.8Very low73 Ų73121.6 Ų121.675%0.75379%0.786SS**  cis118.7139.8-1.500000113.3
302S40.3Very low34.5Very low133 Ų133120.9 Ų120.993%0.9379%0.787SS**  cis-164.1168.7-5-69.80000110.1
303G27.6Very low35.6Very low78 Ų78118.1 Ų118.180%0.80478%0.782SS**  trans-160.3140.1175.700000115.6
304S38.7Very low35.2Very low117 Ų117120.3 Ų120.382%0.81878%0.784SS**  trans-80.2173.6-166.8-530000115
305T30Very low35.1Very low139 Ų139120.3 Ų120.385%0.85378%0.779SS**  cis-161.3158.337.2-43.30000114.7
306E36.8Very low34.7Very low158 Ų158124.4 Ų124.474%0.73879%0.788SS**  trans-80.8-170.2172.8-120.3-155.878.300113.3
307P56.7Low35.5Very low115 Ų115121.5 Ų121.575%0.74778%0.778SS**  cis-126.1-16610.646.3-29.5000114.3
308A33.6Very low35.4Very low86 Ų86126 Ų12671%0.71178%0.778SS**  cis-163-1725.800000109.2
309A32.1Very low35.2Very low76 Ų76122 Ų12263%0.62876%0.762SS**  cis-179.3159.1-48.600000110.4
310L37Very low35.2Very low160 Ų160124.5 Ų124.584%0.83876%0.759SS**  trans68.1149.8167.5-88.170.1000117.9
311E27.3Very low35.2Very low171 Ų171127.7 Ų127.780%0.79975%0.751SS**  cis-138.6-173.88.5-89-137.482.500114.2
312T26.6Very low35.2Very low124 Ų124129.8 Ų129.876%0.76175%0.749SS**  trans-131.6-169.4-172.79.20000110.7
313P53.5Low34.7Very low111 Ų111131 Ų13172%0.72175%0.745SS**  cis-132.5-137.1-30.837.2-15000112.4
314E25.1Very low34.8Very low170 Ų170130.4 Ų130.479%0.79474%0.74SS**  trans84.2148.7166.4-62.8-141.167.600119.7
315T28Very low34.4Very low114 Ų114128.4 Ų128.470%0.69974%0.737SS**  cis-164.1160.9-19.4-91.90000110.4
316Q31.7Very low34.5Very low176 Ų176129.9 Ų129.982%0.82274%0.738SS**  trans-127.5171.9174.9-126.4-164.63800109.6
317P51.6Low34.2Very low96 Ų96127.1 Ų127.162%0.62374%0.736SS**  cis-136.4-167.9-10.643.5-25.6000113.9
318H30.4Very low32.9Very low174 Ų174128 Ų12881%0.80674%0.739SS**  trans166.3157.2150.6-93.1-61.3000110.2
319D30.6Very low33Very low98 Ų98129.3 Ų129.352%0.52474%0.742SS.*  cis-173.6147-31-148.7-28.5000111.2
320K35.8Very low33Very low160 Ų160132.9 Ų132.970%0.69675%0.749SS**  trans55.4158.2163.8-73.2141-166.5137.70119.6
321Q29.3Very low32.6Very low152 Ų152132.2 Ų132.271%0.7175%0.746SS**  cis-158.9130.128.9-177.8766.200112.9
322V37.1Very low32.8Very low117 Ų117131.8 Ų131.871%0.70974%0.744SS**  trans22.4135.9141.5-171.20000120.1
323D29.6Very low33.9Very low158 Ų158131 Ų13185%0.84574%0.741SS**  cis-139.1-150.414.1-150.1-145.2000111.6
324G29.5Very low32.7Very low67 Ų67130.1 Ų130.169%0.69174%0.738SS**  cis167.3-1713.900000114.6
325G29.3Very low33.2Very low74 Ų74128.9 Ų128.976%0.76374%0.736SS**  trans106.742148.500000124.2
326I33.2Very low33.7Very low170 Ų170129 Ų12987%0.87274%0.736SS**  trans6.4133.3159.7-18.5176.8000122.1
327S30.2Very low33.8Very low100 Ų100127 Ų12770%0.69973%0.731SS**  127.6110.9120.8-158.70000121.3
328V30.3Very low33Very low134 Ų134127.8 Ų127.881%0.81273%0.734SS**  trans53.9139.3132.4-175.60000122.6
329C35.8Very low33.1Very low113 Ų113127.9 Ų127.976%0.76474%0.735SS**  trans-91165.2176.7-48.60000113.7
330I30.2Very low33.3Very low151 Ų151128.6 Ų128.677%0.77474%0.743SS**  trans173.8135.6135.9-93.8156.7000114.1
331N29.7Very low33.4Very low146 Ų146126.1 Ų126.178%0.78175%0.746SS**  trans43132.8155.4-57.95.2000125.7
332E32.2Very low33.7Very low163 Ų163124.3 Ų124.376%0.76275%0.75SS**  9.3153.4113.9-91.3-82.910500119.1
333P49.3Very low33.5Very low106 Ų106123.9 Ų123.969%0.68875%0.752SS**  cis-152.8174.944.144.2-23.7000122
334S27.6Very low33.7Very low94 Ų94121.2 Ų121.266%0.65775%0.746SS**  trans77.4159.7137.3173.40000120.3
335L36Very low33.9Very low144 Ų144124.6 Ų124.675%0.75475%0.753SS**  cis178.8171.8-33.6-160.468.3000107.5
336V38.3Very low34.1Very low117 Ų117128.2 Ų128.271%0.70976%0.755SS**  trans62.4152161-62.60000120.7
337D33.4Very low34.1Very low134 Ų134125.5 Ų125.572%0.71775%0.751SS**  cis-170.5-177.5-37.6-123.7-58.1000112.8
338T35.4Very low34.3Very low112 Ų112128.3 Ų128.369%0.68776%0.758SS**  trans80.294.2148.547.40000125.3
339E33Very low34.4Very low176 Ų176128.9 Ų128.982%0.82276%0.762SS**  66.5152121.5-31.7-162.2126.200129.2
340T33.5Very low34.3Very low112 Ų112132.1 Ų132.169%0.68777%0.768SS**  trans88.5108.5136.9-67.80000123.2
341S38.4Very low34.2Very low108 Ų108128.5 Ų128.576%0.75577%0.768SS**  trans32161.1132.8-43.40000122.6
342S35.6Very low34.3Very low115 Ų115127.8 Ų127.880%0.80477%0.774SS**  cis-165.9-170.113.2-141.50000109.1
343S32.9Very low34.2Very low108 Ų108123.7 Ų123.776%0.75577%0.769SS**  cis-161.6-167.11.357.40000112.1
344S34.2Very low33.7Very low102 Ų102127.9 Ų127.971%0.71378%0.779SS**  trans-60168.5176.1-41.30000117
345V34.1Very low34Very low138 Ų138127.5 Ų127.584%0.83678%0.781SS**  -166.5174.664.8-73.80000115.6
346N33.8Very low33.9Very low149 Ų149128.1 Ų128.180%0.79778%0.784SS**  trans-73.3-177.1-178.6-52.8-6.2000113.5
347S33.3Very low33.6Very low114 Ų114125.8 Ų125.880%0.79778%0.784SS**  cis-165.4177.132.6-48.10000114.8
348N33.6Very low33.6Very low159 Ų159128 Ų12885%0.8579%0.787SS**  trans-73.5156.7177.7-52.5-26000115.5
349T33.1Very low33.7Very low145 Ų145128.6 Ų128.689%0.8979%0.791SS**  trans179.6162.7150.9-84.90000111.1
350M33Very low33.7Very low182 Ų182130.6 Ų130.690%0.89779%0.791SS**  -166.7146.5-61.9-171.1170.468.200110.3
351G29Very low34Very low74 Ų74134.1 Ų134.176%0.76380%0.797SS**  trans94167.8170.400000115.8
352S29.9Very low34.4Very low131 Ų131135.5 Ų135.592%0.91680%0.801SS**  cis-151.4178.4-4.1-164.60000111.4
353A31Very low34.9Very low78 Ų78136 Ų13665%0.64580%0.801SS**  trans-94.9152.4-166.600000115.9
354Q38.8Very low35.2Very low194 Ų194140.1 Ų140.191%0.90781%0.806SS**  trans177.1158.4139.8-98.1156.194.500108.7
355A33.1Very low35.4Very low85 Ų85141.6 Ų141.670%0.70281%0.81SS**  cis168166.4-24.200000106.2
356L33.8Very low35.6Very low157 Ų157142.7 Ų142.782%0.82281%0.81SS**  trans66.184155.7-161.468.6000120.1
357G32Very low36.1Very low68 Ų68143.8 Ų143.870%0.70181%0.811SS**  101.8141.796.900000122.5
358K35.2Very low36.5Very low181 Ų181146 Ų14679%0.78781%0.812SS**  trans81.8100.1139.2-61.8177.5-179174.70121.4
359T36.5Very low36.6Very low125 Ų125143.4 Ų143.477%0.76781%0.807SS**  67.1109.512659.90000122.5
360R34Very low37.3Very low218 Ų218142.1 Ų142.182%0.82380%0.801SS**  56.4104112.7-168.1-154.2-175.1-173.44118.7
361K38.7Very low38Very low186 Ų186139.6 Ų139.681%0.80980%0.798SS**  175.8149.2121.4-94.2153.3-170.6177.50112.1
362T47.7Very low38.2Very low136 Ų136141 Ų14183%0.83480%0.802SS**  trans-95.6144.7168.946.30000111.3
363P44.7Very low38.8Very low125 Ų125142.2 Ų142.281%0.81280%0.798SS**  trans-92.5169.1156.134.8-29.7000111.4
364K39.7Very low39.1Very low196 Ų196146.9 Ų146.985%0.85281%0.811SS**  trans-110.4157.5-179.3-72.5175.9176.4176.10110.9
365V39.4Very low38.9Very low132 Ų132144 Ų14480%0.881%0.807SS**  trans49.8119.4147.1173.10000117.5
366L37.1Very low39.3Very low161 Ų161145.6 Ų145.684%0.84381%0.808SS**  -146148.1128.9-130.2126.6000111.2
367Q44.5Very low39.5Very low173 Ų173144.2 Ų144.281%0.80881%0.806SS**  trans-106.6132.5180173.8-159.18500107.9
368L40.7Very low39.6Very low159 Ų159145.5 Ų145.583%0.83280%0.804SS**  trans-137141.5170.2-79173.3000111.3
369S37Very low39.5Very low105 Ų105144.5 Ų144.573%0.73480%0.802SS**PPolyproline II helixtrans-88.1162.1179.438.20000112.1
370P47.1Very low39.6Very low118 Ų118147.5 Ų147.577%0.76681%0.805SS**PPolyproline II helixtrans-76.4149-176.731-36000113.2
371P47.2Very low39.9Very low129 Ų129141.6 Ų141.684%0.83880%0.797SS**PPolyproline II helixtrans-77.1159170.833.3-35000112.2
372A33.3Very low40.8Very low103 Ų103137.8 Ų137.885%0.85179%0.792SS**PPolyproline II helixtrans-90.1169.8-176.700000114
373L42.9Very low40.3Very low158 Ų158138.2 Ų138.283%0.82779%0.786SS**PPolyproline II helixtrans-70.7145.7-180-58.6167.9000112.9
374L37.7Very low39.8Very low176 Ų176138.3 Ų138.392%0.92178%0.78SS**  trans-138.5136.9143.9-75.4-179.1000109.1
375V34.3Very low39.7Very low133 Ų133136.1 Ų136.181%0.80678%0.776SS**  trans-139.1140179.1172.80000107.7
376T42.5Very low39.6Very low119 Ų119135.5 Ų135.573%0.7378%0.776SS**  trans-134.6122.6-179.8550000111.1
377T37.9Very low39.8Very low127 Ų127133 Ų13378%0.77977%0.772SS**  trans43.5111.4150.856.80000118
378S33.6Very low40Very low96 Ų96131 Ų13167%0.67177%0.774SS**  61.1141.553.2-139.40000112.8
379E33.8Very low39.7Very low159 Ų159128.9 Ų128.974%0.74377%0.773SS**  cis-96.4-144.910.2-136.286.5137.700112.6
380F38.5Very low40.2Very low189 Ų189131.7 Ų131.783%0.82978%0.779SS**  cis-148.8-153.410.1-164.1-119.6000111.5
381S40.1Very low40.3Very low94 Ų94132.1 Ų132.166%0.65778%0.782SS**  trans-163.1-172.7-172.6-108.40000111.6
382P57.1Low39.8Very low106 Ų106132.5 Ų132.569%0.68878%0.782SS**  cis-123.8-162.46.739-17.8000112.5
383M36.6Very low40Very low145 Ų145132 Ų13271%0.71478%0.778SS**  cis-166.8157.925.7-148.9-165.9-46.400113.2
384N35.1Very low39.6Very low127 Ų127130.1 Ų130.168%0.67978%0.778SS**  trans67.5144.4161.5-62-30.4000119
385L36.7Very low39.8Very low150 Ų150129.6 Ų129.679%0.78578%0.775SS**  cis-151.9170.1-9.2-122.1167.7000110.8
386C37.7Very low40.7Very low118 Ų118129.8 Ų129.880%0.79778%0.777SS**PPolyproline II helixtrans-84151.3-158.9-61.10000117.8
387S40.6Very low41.2Very low109 Ų109130.4 Ų130.476%0.76278%0.783SS**PPolyproline II helixtrans-91.3148.5149.8-56.20000110.7
388P49Very low41.2Very low131 Ų131129.3 Ų129.385%0.85179%0.786SS**PPolyproline II helixtrans-89142168.133.9-31.6000112.3
389S35.5Very low41.9Very low115 Ų115133.9 Ų133.980%0.80480%0.799SS**  trans-106.9161-179.6-680000113.1
390L46.3Very low42.3Very low163 Ų163134 Ų13485%0.85381%0.805SS**  trans-64.3143.8169.4-80.966.1000111.6
391P50.9Low42.7Very low127 Ų127133 Ų13383%0.82580%0.802SS**  trans-78.3159157.634.4-33.2000111.1
392T35.8Very low43Very low137 Ų137134.3 Ų134.384%0.8481%0.807SS**  trans-136.6156.9178.7-170.90000112
393A38.4Very low42.5Very low93 Ų93134.9 Ų134.977%0.76981%0.811SS**  trans58122.8162.600000120.2
394S32.9Very low42.9Very low119 Ų119134.2 Ų134.283%0.83282%0.815SS**  -152.3158.6123.8-166.40000109.8
395L42.2Very low43.2Very low165 Ų165136.1 Ų136.186%0.86482%0.824SS**  trans-128.8133.7-174-81.6165.9000111.3
396T53.7Low43.3Very low136 Ų136136.2 Ų136.283%0.83483%0.825SS**  trans-151.6133.6159.78.20000110.1
397P52.4Low43.2Very low133 Ų133138.4 Ų138.486%0.86483%0.827SS**  trans-90.8131.1-179.733.8-31.9000111.8
398A38.7Very low43.3Very low103 Ų103138.3 Ų138.385%0.85182%0.822SS**  trans-134.6126.3167.200000109.8
399M48.4Very low43Very low192 Ų192138 Ų13895%0.94682%0.821SS**  trans-92.2123.6-179-166.5176.8-167.100108.8
400L41.2Very low43.1Very low163 Ų163137.9 Ų137.985%0.85382%0.819SS**  trans-164.3169.7157.1-108.5174.3000111
401Q46.4Very low43.3Very low166 Ų166135.4 Ų135.478%0.77681%0.813SS**  trans-101.8171.2-160.6-66.2156.4-87.100114.4
402T47.6Very low43.3Very low123 Ų123137.2 Ų137.276%0.75582%0.815SS**  trans80.4125167.674.90000117.7
403P46.8Very low43.8Very low118 Ų118139.2 Ų139.277%0.76682%0.819SS**  trans-106.494.3163.535.3-26.4000111.3L405P403-L405 PolarHBondContact O-N 3.02Å
404T44.3Very low43.8Very low130 Ų130139.7 Ų139.780%0.79882%0.817SS**  trans-79.9102.2159.948.60000108.8L406T404-L406 PolarHBondContact O-N 3.13Å
405L42Very low44.4Very low168 Ų168139.9 Ų139.988%0.8881%0.809SS**  trans-71.393178.5-71.8174000111P403 L407P403-L405 PolarHBondContact O-N 3.02Å; L405-L407 PolarHBondContact O-N 3.44Å
406L38.8Very low44.7Very low152 Ų152139.7 Ų139.780%0.79681%0.807SS**  trans-79.499.7172.6-164.9150.6000109.1T404 T408T404-L406 PolarHBondContact O-N 3.13Å; L406-T408 HydrophobicContact CD2-CG2 4.46Å; L406-T408 PolarHBondContact O-N 3.48Å
407L35.7Very low44.7Very low164 Ų164140 Ų14086%0.85980%0.799SS**  trans-76.4107.6-172.8-173.671.1000111.5L405L405-L407 PolarHBondContact O-N 3.44Å
408T41.4Very low44.5Very low106 Ų106142.9 Ų142.965%0.6580%0.798SS**  trans-81.8131.6170.248.30000110.9L406 S410L406-T408 HydrophobicContact CD2-CG2 4.46Å; L406-T408 PolarHBondContact O-N 3.48Å; T408-S410 PolarHBondContact O-N 3.38Å
409P44.4Very low44.7Very low126 Ų126148.4 Ų148.482%0.81880%0.797SS**  trans-87.693.3-176.633.1-34000112.1
410S36.4Very low44.1Very low111 Ų111143.8 Ų143.878%0.77678%0.784SS**  trans-98.2112.7165.9-69.60000110.7T408T408-S410 PolarHBondContact O-N 3.38Å
411P50.6Low44.3Very low111 Ų111142.3 Ų142.372%0.72178%0.782SS**  trans-75.9166.816934-35000111
412L51.5Low44.1Very low166 Ų166141.8 Ų141.887%0.86978%0.784SS**  trans6687.1173.4-53.9172.6000116.3
413L46Very low43.8Very low178 Ų178141 Ų14193%0.93278%0.783SS**  -158.5154.7112.6-106.8167.6000111
414S39.5Very low43.7Very low103 Ų103141.3 Ų141.372%0.7279%0.785SS**  trans-107.8141.9-161.749.30000114.2
415N44.3Very low43.7Very low124 Ų124141.7 Ų141.766%0.66379%0.787SS**  trans56.786.5153.4-164.6-6.3000117.5H417N415-H417 PolarHBondContact OD1-CD2 2.79Å
416I49Very low43.7Very low161 Ų161137.5 Ų137.583%0.82678%0.777SS**  trans-114.396.6159.6-57.8176.8000108.5F418I416-F418 PolarHBondContact O-N 2.89Å
417H53.8Low44.1Very low142 Ų142136.2 Ų136.266%0.65778%0.777SS**  trans-8794.6176.4-86.3-42.5000111.6N415 W419N415-H417 PolarHBondContact OD1-CD2 2.79Å; H417-W419 VanDerWaalsContact C-N 3.34Å; H417-W419 AromaticContact CG-NE1 3.99Å; H417-W419 PolarHBondContact O-N 3.25Å
418F47.3Very low44.3Very low193 Ų193135.9 Ų135.985%0.84678%0.776SS**  trans-7876176.8-158.2-85.8000111.7I416 S420I416-F418 PolarHBondContact O-N 2.89Å; F418-S420 PolarHBondContact O-N 2.94Å
419W44.3Very low44.4Very low219 Ų219135.9 Ų135.983%0.8378%0.78SS**  trans-84.4107.9178.1-78.350.3000110.7H417 T421H417-W419 VanDerWaalsContact C-N 3.34Å; H417-W419 AromaticContact CG-NE1 3.99Å; H417-W419 PolarHBondContact O-N 3.25Å; W419-T421 PolarHBondContact O-N 2.65Å
420S36Very low44.4Very low96 Ų96136 Ų13667%0.67178%0.781SS**  trans-71124.3178.1-170.60000111.3F418 L422F418-S420 PolarHBondContact O-N 2.94Å; S420-L422 PolarHBondContact O-N 3.23Å
421T44.2Very low44.4Very low132 Ų132135.3 Ų135.381%0.8178%0.782SS**  trans-83.694.2-179.353.20000111.5W419W419-T421 PolarHBondContact O-N 2.65Å
422L43.3Very low43.9Very low155 Ų155137 Ų13781%0.81279%0.79SS**  trans-115.6105.4164-69.6178.6000109.7S420S420-L422 PolarHBondContact O-N 3.23Å
423S39.7Very low43.2Very low107 Ų107140.3 Ų140.375%0.74879%0.791SS**  trans-73129.7-178-56.70000112.4V425S423-V425 PolarHBondContact O-N 2.97Å
424P45.2Very low43.1Very low124 Ų124142.4 Ų142.481%0.80579%0.786SS**  trans-74.2114.8156.3-7.124.8000108.7A426P424-A426 PolarHBondContact O-N 3.37Å
425V43.8Very low43.2Very low138 Ų138147.3 Ų147.384%0.83680%0.798SS**  trans-72.81161651670000108.1S423S423-V425 PolarHBondContact O-N 2.97Å
426A42.5Very low42.9Very low80 Ų80145 Ų14566%0.66180%0.804SS**PPolyproline II helixtrans-94.5125.4175.600000110.8P424P424-A426 PolarHBondContact O-N 3.37Å
427P46.9Very low42.5Very low125 Ų125141.7 Ų141.781%0.81280%0.8SS**PPolyproline II helixtrans-73.6155.5170.531-33.6000111.6
428L40.8Very low42.6Very low157 Ų157143.8 Ų143.882%0.82281%0.81SS**PPolyproline II helixtrans-82.5146.1-170.5-92.264000114.5
429S42.6Very low42.7Very low106 Ų106142.1 Ų142.174%0.74181%0.809SS**  trans70.4149.1152.8-56.20000118.4
430P44.7Very low42.7Very low129 Ų129141.5 Ų141.584%0.83881%0.813SS**  -124.1158.7102.436.8-34.2000113.4
431A37.6Very low42.9Very low96 Ų96146.1 Ų146.179%0.79382%0.824SS**  trans-91.9141.8179.400000112.5R433A431-R433 PolarHBondContact O-N 3.26Å
432T40Very low43Very low145 Ų145148.3 Ų148.389%0.8982%0.822SS**  trans-67.6109.7177.5-53.30000111.9
433R35Very low42.9Very low237 Ų237146.5 Ų146.589%0.89482%0.82SS**  trans-110.8137.3166.7-178.1175.7171.4179.7-2.4110A431A431-R433 PolarHBondContact O-N 3.26Å
434R44.9Very low42.9Very low221 Ų221147.1 Ų147.183%0.83482%0.824SS**  trans-88.2164.6-179.8-78.4-173.6157-155.5-7.1113.2
435Q41.3Very low42.9Very low206 Ų206147.5 Ų147.596%0.96382%0.824SS**  trans74.5149172.2-58.8-175.4-2600117.4
436G38.3Very low42.6Very low77 Ų77149.7 Ų149.779%0.79483%0.83SS**  trans139114.2163.600000113.6
437A41Very low42.3Very low91 Ų91153.4 Ų153.475%0.75284%0.839SS**  trans-80.1163.2178.300000113.5L439A437-L439 PolarHBondContact O-N 3.31Å
438H54.5Low42.1Very low186 Ų186152.3 Ų152.386%0.86183%0.834SS**  trans0.9104.9159.9-64.7-99.3000118.3
439L51.1Low42.3Very low157 Ų157153.3 Ų153.382%0.82283%0.834SS**  trans-155.999.1144.7-81.6-170000109.7A437A437-L439 PolarHBondContact O-N 3.31Å
440F42.5Very low42.2Very low206 Ų206158.5 Ų158.590%0.90484%0.844SS**  trans-178.4108.5144.9-90.5-55.5000108.9
441Q41.3Very low41.7Very low194 Ų194161 Ų16191%0.90785%0.845SS**  trans-118.7123.6177.4-179.3175.7-4.300108.4
442F46.4Very low41.9Very low178 Ų178163.7 Ų163.778%0.78184%0.844SS**PPolyproline II helixtrans-85.1141.9178.6-71.9-86.9000110.9
443P41.5Very low42Very low116 Ų116162.6 Ų162.675%0.75384%0.839SS**PPolyproline II helixtrans-78.1123.5178.430.7-33.2000111.2
444S39.4Very low42.5Very low121 Ų121157.5 Ų157.585%0.84683%0.834SS**PPolyproline II helixtrans-89.9119.3170.3-610000110.8
445V43.9Very low42.1Very low131 Ų131156.5 Ų156.579%0.79484%0.839SS**  trans-142.7105.3166.9-89.60000110.3
446L39.3Very low41.8Very low185 Ų185152.1 Ų152.197%0.96983%0.831SS**  trans-149.9157145.5-140.476.1000109.5
447N35.2Very low42.3Very low158 Ų158156 Ų15685%0.84583%0.833SS**  trans-94.2159.5-160.3-161.213.9000113.6
448S42Very low42.1Very low102 Ų102159.4 Ų159.471%0.71384%0.838SS**  trans-77.9124.2174.1-179.50000111.6
449Q45.6Very low41.1Very low178 Ų178153.7 Ų153.783%0.83283%0.83SS**  trans178111.9143.8-104.5172.7-2.200110.9
450F40Very low40.8Very low215 Ų215152.2 Ų152.294%0.94383%0.828SS**  trans-165.7141.3136.5-120.9-81.4000109.3
451Q35.7Very low40.5Very low182 Ų182150 Ų15085%0.8583%0.825SS**  trans-96.7148.9-175.9-72.2177.1-34.300112.1
452I41Very low40.7Very low151 Ų151146.7 Ų146.777%0.77482%0.818SS**  trans-107.9120.6175.6-59.9168.4000108.7
453P41.8Very low40.7Very low123 Ų123144.3 Ų144.380%0.79982%0.82SS**  trans-77.1119.8163.9-9.827000109.6
454V45.4Very low40.5Very low129 Ų129141.8 Ų141.878%0.78282%0.815SS**  trans-89.6140.3165.7-72.30000110
455Q37.8Very low41.2Very low201 Ų201142 Ų14294%0.93981%0.814SS**  trans-132160.2159-76.1-159.4-6.300110.2
456S34.3Very low40.8Very low113 Ų113144.1 Ų144.179%0.7982%0.819SS**  trans-101.4179.4-149.5-156.70000114.5
457L48.3Very low40.9Very low159 Ų159140.7 Ų140.783%0.83281%0.811SS**  trans-74.3173.4178.2-57.494.4000113.6
458D36.2Very low41.9Very low163 Ų163138.3 Ų138.387%0.87280%0.804SS**  trans92.2161156.4-143.5-91.5000117.8
459G34.3Very low41.5Very low66 Ų66139.9 Ų139.968%0.6880%0.804SS**  trans116.482.8-172.800000114.2
460T44.9Very low42.2Very low126 Ų126136.1 Ų136.177%0.77380%0.795SS**  trans-73.4149.1165.158.70000111.2
461N37.1Very low42.7Very low159 Ų159135 Ų13585%0.8579%0.793SS**  trans-167.7143.7144.5-115.8-85.3000112
462T45.6Very low43.3Very low125 Ų125135.6 Ų135.677%0.76779%0.793SS**  trans-123.8145.6174.1-42.40000107.8
463P45.2Very low43.6Very low127 Ų127138.5 Ų138.583%0.82582%0.818SS**  -136.5136.9126.535.8-25.9000113.1
464G38.4Very low43.7Very low63 Ų63139.3 Ų139.365%0.64982%0.819SS**  trans-104.5-157.3148.300000109
465P52.9Low43.6Very low125 Ų125139.8 Ų139.881%0.81282%0.821SS**  cis-127.1160.9-13.139.1-25.9000112.9
466I36.9Very low43.9Very low176 Ų176136.4 Ų136.490%0.90381%0.814SS**  trans-141.2134.8153.647.9170.6000110.7
467S39.8Very low44.5Very low113 Ų113137.8 Ų137.879%0.7982%0.816SS**  trans-179.5154.1-178.6-177.10000107.9
468P56.5Low44.3Very low109 Ų109136.5 Ų136.571%0.70882%0.815SS**  cis-119.8-171.7-3338.3-24.5000110.4
469D34.2Very low44.8Very low134 Ų134134.7 Ų134.772%0.71781%0.811SS**  -160.7146.7121.1-158.353.8000111.4
470P59.9Low45.6Very low100 Ų100139.6 Ų139.665%0.64982%0.82SS**  trans-114.4140.3172.637-25.3000112.8
471Q50.7Low45.6Very low191 Ų191140.7 Ų140.789%0.89382%0.824SS**  trans-147.8151.4160-124.9157.292.300114.3
472K47.6Very low46.3Very low194 Ų194139.2 Ų139.284%0.84382%0.822SS**  trans-131119.3-172.5168.2-154.5169.3-169.20108
473T48.5Very low46.4Very low213 Ų213140.5 Ų140.5100%1.30783%0.827SS**  trans-155.90154-71.30000106.9

Retrieved 473 of 473 residues in 665.3 ms (Link to these results)

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