A0A3Q0KLK0_SCHMA Loading...

Cell division control protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KLK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,010 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
1M93.1Very high95.6Very high229 Ų22990.3 Ų90.3100%1.12846%0.463SS*.  0-90.90-61.7167.99600111.5Y3 G4M1-Y3 PolarHBondContact O-N 3.45Å; M1-G4 PolarHBondContact O-N 3.48Å
2K94Very high95.7Very high92 Ų9284.1 Ų84.140%0.444%0.436SS..THydrogen-bonded Turntrans-49.2-36.9-166.3-170.4175.2-178.5173.80117.7R134 L135 N137K2-R134 PolarHBondContact NZ-O 2.7Å; K2-L135 HydrophobicContact CB-CD2 3.8Å; K2-L135 HydrophobicContact CD-CD2 3.6Å; K2-L135 HydrophobicContact CG-CD2 4.31Å; K2-L135 PolarHBondContact NZ-O 3.31Å; K2-N137 PolarHBondContact NZ-O 2.92Å
3Y95.2Very high95.6Very high37 Ų3782.2 Ų82.215%0.14544%0.435CS..THydrogen-bonded Turntrans-107.92.6-172.5-54.5-55.3000115.5M1 R10 I11 L14M1-Y3 PolarHBondContact O-N 3.45Å; Y3-R10 HydrophobicContact CD2-CB 4.27Å; Y3-R10 HydrophobicContact CG-CB 4.3Å; Y3-I11 HydrophobicContact CD2-CG1 4.14Å; Y3-L14 HydrophobicContact CE2-CD1 4.22Å; Y3-L14 HydrophobicContact CE2-CD2 4.36Å
4G94.9Very high95.6Very high44 Ų4477.9 Ų77.945%0.45441%0.411SS..THydrogen-bonded Turntrans65.6-179-176.700000115M1 N6M1-G4 PolarHBondContact O-N 3.48Å; G4-N6 VanDerWaalsContact C-N 3.27Å; G4-N6 PolarHBondContact O-N 2.81Å
5K95.7Very high95.6Very high88 Ų8877.3 Ų77.338%0.38341%0.408SS..THydrogen-bonded Turntrans-82.310.6-179-62.7-173.5-179.5-175.20114.6W8 D32K5-W8 HydrophobicContact CB-CZ2 4.18Å; K5-W8 WeakPolarHBondContact O-CZ2 3.48Å; K5-W8 PolarHBondContact O-NE1 3.29Å; K5-D32 IonicContact NZ-OD1 2.78Å; K5-D32 PolarHBondContact NZ-OD1 3.22Å; K5-D32 IonicContact NZ-OD2 2.73Å; K5-D32 PolarHBondContact NZ-OD2 3.12Å
6N96.1Very high95.4Very high145 Ų14576.2 Ų76.278%0.77540%0.4SS*.THydrogen-bonded Turntrans-117.1-19.8-173.4-69.5-8.2000114.4G4 W8G4-N6 VanDerWaalsContact C-N 3.27Å; G4-N6 PolarHBondContact O-N 2.81Å; N6-W8 PolarHBondContact O-N 3.04Å
7Q96.2Very high95.3Very high87 Ų8781 Ų8141%0.40741%0.411SS..  trans-103.647.9-169.8-58.5-174.23.400112.6A9 R10 I11Q7-A9 VanDerWaalsContact C-N 3.27Å; Q7-A9 PolarHBondContact O-N 3.08Å; Q7-A9 VanDerWaalsContact O-N 3.14Å; Q7-R10 HydrophobicContact CB-CB 4.45Å; Q7-R10 HydrophobicContact CB-CG 4.36Å; Q7-R10 WeakPolarHBondContact O-CB 3.26Å; Q7-R10 PolarHBondContact O-N 2.74Å; Q7-I11 PolarHBondContact O-N 2.81Å
8W97.3Very high95.3Very high31 Ų3182.7 Ų82.712%0.11742%0.415CS..Hα-helixtrans-54.3-34.3-172-61.1103.8000115K5 N6 R10 I11 A12 A20 C23 K24 W27 Y28K5-W8 HydrophobicContact CB-CZ2 4.18Å; K5-W8 WeakPolarHBondContact O-CZ2 3.48Å; K5-W8 PolarHBondContact O-NE1 3.29Å; N6-W8 PolarHBondContact O-N 3.04Å; W8-R10 VanDerWaalsContact C-N 3.29Å; W8-R10 PolarHBondContact O-N 3.33Å; W8-I11 HydrophobicContact CD2-CD1 4.41Å; W8-I11 HydrophobicContact CE3-CD1 3.76Å; W8-I11 HydrophobicContact CZ3-CD1 3.85Å; W8-I11 PolarHBondContact O-N 3.01Å; W8-A12 PolarHBondContact O-N 3.17Å; W8-A20 HydrophobicContact CB-CB 4.2Å; W8-C23 HydrophobicContact CE3-CB 4.25Å; W8-C23 WeakPolarHBondContact CZ3-O 3.24Å; W8-K24 HydrophobicContact CD2-CB 3.68Å; W8-K24 HydrophobicContact CD2-CG 4Å; W8-K24 HydrophobicContact CE3-CB 4Å; W8-K24 HydrophobicContact CG-CB 3.94Å; W8-K24 HydrophobicContact CG-CD 4.46Å; W8-K24 HydrophobicContact CG-CG 4.29Å; W8-K24 HydrophobicContact CZ2-CG 4.14Å; W8-W27 HydrophobicContact CH2-CB 3.43Å; W8-W27 VanDerWaalsContact CH2-CB 3.43Å; W8-W27 AromaticContact CH2-CD1 3.9Å; W8-W27 HydrophobicContact CH2-CD2 4.19Å; W8-W27 AromaticContact CH2-CG 3.49Å; W8-W27 HydrophobicContact CH2-CG 3.49Å; W8-W27 VanDerWaalsContact CH2-CG 3.49Å; W8-W27 HydrophobicContact CZ2-CB 4.41Å; W8-W27 HydrophobicContact CZ2-CG 4.38Å; W8-W27 HydrophobicContact CZ3-CB 3.79Å; W8-W27 HydrophobicContact CZ3-CG 4.25Å; W8-Y28 AromaticContact CZ2-CE2 3.86Å; W8-Y28 HydrophobicContact CZ2-CE2 3.86Å
9A97Very high95.4Very high73 Ų7381.1 Ų81.160%0.60342%0.417SS*.Hα-helixtrans-62.1-34.7174.500000113Q7 S13Q7-A9 VanDerWaalsContact C-N 3.27Å; Q7-A9 PolarHBondContact O-N 3.08Å; Q7-A9 VanDerWaalsContact O-N 3.14Å; A9-S13 WeakPolarHBondContact O-CB 3.31Å; A9-S13 PolarHBondContact O-N 3.11Å
10R95.4Very high95.5Very high126 Ų12678.8 Ų78.848%0.47541%0.41SS..Hα-helixtrans-75.4-30.7175.9-58-179.974.4-172.66.9112.1Y3 Q7 W8 S13Y3-R10 HydrophobicContact CD2-CB 4.27Å; Y3-R10 HydrophobicContact CG-CB 4.3Å; Q7-R10 HydrophobicContact CB-CB 4.45Å; Q7-R10 HydrophobicContact CB-CG 4.36Å; Q7-R10 WeakPolarHBondContact O-CB 3.26Å; Q7-R10 PolarHBondContact O-N 2.74Å; W8-R10 VanDerWaalsContact C-N 3.29Å; W8-R10 PolarHBondContact O-N 3.33Å; R10-S13 WeakPolarHBondContact CA-OG 3.19Å; R10-S13 PolarHBondContact O-OG 3.15Å
11I96.8Very high95.6Very high41 Ų4183.9 Ų83.921%0.2143%0.429CS..Hα-helixtrans-70.6-48.6175.3-61.8170.6000109.9Y3 Q7 W8 S13 L14 C23Y3-I11 HydrophobicContact CD2-CG1 4.14Å; Q7-I11 PolarHBondContact O-N 2.81Å; W8-I11 HydrophobicContact CD2-CD1 4.41Å; W8-I11 HydrophobicContact CE3-CD1 3.76Å; W8-I11 HydrophobicContact CZ3-CD1 3.85Å; W8-I11 PolarHBondContact O-N 3.01Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 2.9Å; I11-L14 WeakPolarHBondContact O-CB 3.49Å; I11-L14 PolarHBondContact O-N 3.38Å; I11-C23 HydrophobicContact CG2-CB 4.39Å
12A96.6Very high95.8Very high16 Ų1676.6 Ų76.613%0.13239%0.392CS..Hα-helixtrans-61.7-32.7174.300000112.7W8 L14 L15 A20W8-A12 PolarHBondContact O-N 3.17Å; A12-L14 PolarHBondContact O-N 3.11Å; A12-L15 CarbonylContact O-C 3.44Å; A12-L15 PolarHBondContact O-N 2.89Å; A12-L15 VanDerWaalsContact O-O 3.09Å; A12-A20 HydrophobicContact CB-CB 3.98Å
13S95.2Very high95.9Very high60 Ų6072.9 Ų72.942%0.4238%0.378SS..THydrogen-bonded Turntrans-63.7-10.117476.10000114.5A9 R10 I11 R134A9-S13 WeakPolarHBondContact O-CB 3.31Å; A9-S13 PolarHBondContact O-N 3.11Å; R10-S13 WeakPolarHBondContact CA-OG 3.19Å; R10-S13 PolarHBondContact O-OG 3.15Å; I11-S13 VanDerWaalsContact C-N 3.26Å; I11-S13 PolarHBondContact O-N 2.9Å; S13-R134 PolarHBondContact O-NH1 2.77Å
14L95.3Very high96Very high21 Ų2175.9 Ų75.911%0.1139%0.392CS..THydrogen-bonded Turntrans-100-4.5173.3-104.772.9000113.6Y3 I11 A12 A131 R134 L135Y3-L14 HydrophobicContact CE2-CD1 4.22Å; Y3-L14 HydrophobicContact CE2-CD2 4.36Å; I11-L14 WeakPolarHBondContact O-CB 3.49Å; I11-L14 PolarHBondContact O-N 3.38Å; A12-L14 PolarHBondContact O-N 3.11Å; L14-A131 HydrophobicContact CD2-CB 4.09Å; L14-A131 HydrophobicContact CG-CB 4.4Å; L14-R134 HydrophobicContact CD1-CB 3.98Å; L14-R134 VanDerWaalsContact CD1-CD 3.48Å; L14-R134 HydrophobicContact CD1-CG 4.4Å; L14-R134 HydrophobicContact CG-CB 4.44Å; L14-L135 HydrophobicContact CD2-CD2 4.3Å; L14-L135 HydrophobicContact CD2-CG 4.2Å
15L95.2Very high96Very high70 Ų7075.4 Ų75.437%0.36638%0.383SS..SBendtrans-131.797.7-173.2-63.6175.3000108.7A12 K18 M127A12-L15 CarbonylContact O-C 3.44Å; A12-L15 PolarHBondContact O-N 2.89Å; A12-L15 VanDerWaalsContact O-O 3.09Å; L15-K18 HydrophobicContact CB-CB 4.21Å; L15-K18 HydrophobicContact CB-CG 4.46Å; L15-K18 PolarHBondContact O-N 2.96Å; L15-M127 HydrophobicContact CB-SD 4.5Å; L15-M127 HydrophobicContact CD2-SD 3.68Å
16H92.9Very high96.1Very high59 Ų5973.6 Ų73.627%0.27337%0.374SS..THydrogen-bonded Turntrans-64.2161.3175.570.865.4000110.9K18 D123 E124H16-K18 PolarHBondContact O-N 2.81Å; H16-D123 WeakPolarHBondContact CE1-CB 3.49Å; H16-D123 IonicContact CE1-OD1 4Å; H16-D123 WeakPolarHBondContact NE2-CA 3.31Å; H16-D123 WeakPolarHBondContact NE2-CB 3.25Å; H16-D123 PolarHBondContact NE2-O 3.47Å; H16-D123 IonicContact NE2-OD1 2.62Å; H16-D123 PolarHBondContact NE2-OD1 3.19Å; H16-E124 PolarHBondContact NE2-N 3.39Å
17R93.7Very high96.1Very high158 Ų15869.8 Ų69.860%0.59635%0.349SS*.THydrogen-bonded Turntrans55.618.3-173.5-56.7163.5177.5160.40.9114.2D123R17-D123 IonicContact CZ-OD1 3.72Å; R17-D123 IonicContact CZ-OD2 3.58Å; R17-D123 IonicContact NH1-OD2 3.86Å; R17-D123 PolarHBondContact NH1-OD2 3.46Å; R17-D123 VanDerWaalsContact NH2-CG 3.34Å; R17-D123 IonicContact NH2-OD1 3.07Å; R17-D123 IonicContact NH2-OD2 2.68Å; R17-D123 PolarHBondContact NH2-OD2 3.4Å
18K95.7Very high96.1Very high111 Ų11170.4 Ų70.448%0.48335%0.348SS..  trans-137.5122.3176.9-57.2-64162.7-61.10112.9L15 H16L15-K18 HydrophobicContact CB-CB 4.21Å; L15-K18 HydrophobicContact CB-CG 4.46Å; L15-K18 PolarHBondContact O-N 2.96Å; H16-K18 PolarHBondContact O-N 2.81Å
19A97Very high96Very high53 Ų5370.3 Ų70.344%0.43835%0.349SS..  trans-83.3156.2178.700000113K21 Q22 C23A19-K21 PolarHBondContact O-N 3.45Å; A19-K21 VanDerWaalsContact O-N 3.07Å; A19-Q22 HydrophobicContact CB-CG 4.25Å; A19-Q22 WeakPolarHBondContact O-CA 3.36Å; A19-Q22 WeakPolarHBondContact O-CB 3.38Å; A19-Q22 PolarHBondContact O-N 3.27Å; A19-C23 PolarHBondContact O-N 2.75Å; A19-C23 PolarHBondContact O-SG 2.73Å
20A97.5Very high95.9Very high35 Ų3569.7 Ų69.729%0.28933%0.331SS..Hα-helixtrans-56.6-28.7179.800000114.7W8 A12 K24W8-A20 HydrophobicContact CB-CB 4.2Å; A12-A20 HydrophobicContact CB-CB 3.98Å; A20-K24 WeakPolarHBondContact O-CB 3.41Å; A20-K24 PolarHBondContact O-N 3.19Å
21K96.9Very high95.8Very high186 Ų18668.1 Ų68.181%0.80933%0.332SS*.Hα-helixtrans-68.7-44.4172.2-67.4-176.8-179.7178.70111.6A19 K24 A25A19-K21 PolarHBondContact O-N 3.45Å; A19-K21 VanDerWaalsContact O-N 3.07Å; K21-K24 PolarHBondContact O-N 3.18Å; K21-A25 PolarHBondContact O-N 2.83Å
22Q96.6Very high95.7Very high76 Ų7666.9 Ų66.936%0.35533%0.325SS..Hα-helixtrans-65.5-46.7178.8-59.4178.9-59.700110.8A19 K24 A25 R26 E109A19-Q22 HydrophobicContact CB-CG 4.25Å; A19-Q22 WeakPolarHBondContact O-CA 3.36Å; A19-Q22 WeakPolarHBondContact O-CB 3.38Å; A19-Q22 PolarHBondContact O-N 3.27Å; Q22-K24 PolarHBondContact O-N 2.91Å; Q22-A25 PolarHBondContact O-N 3.46Å; Q22-R26 VanDerWaalsContact O-CB 3.29Å; Q22-R26 WeakPolarHBondContact O-CB 3.38Å; Q22-R26 PolarHBondContact O-N 2.92Å; Q22-E109 VanDerWaalsContact CA-OE1 3.25Å; Q22-E109 WeakPolarHBondContact CA-OE1 3.43Å; Q22-E109 WeakPolarHBondContact CB-OE1 3.48Å; Q22-E109 WeakPolarHBondContact CG-OE1 3.45Å
23C96.7Very high95.6Very high14 Ų1471.7 Ų71.710%0.09536%0.355CS..Hα-helixtrans-57.7-37.1174.1-580000112.6W8 I11 A19 W27W8-C23 HydrophobicContact CE3-CB 4.25Å; W8-C23 WeakPolarHBondContact CZ3-O 3.24Å; I11-C23 HydrophobicContact CG2-CB 4.39Å; A19-C23 PolarHBondContact O-N 2.75Å; A19-C23 PolarHBondContact O-SG 2.73Å; C23-W27 PolarHBondContact O-N 3.4Å
24K97.2Very high95.5Very high100 Ų10073.2 Ų73.244%0.43537%0.366SS..Hα-helixtrans-69.9-48.6175.3-175.1-179.9179.4-170.30111.6W8 A20 K21 Q22 W27 Y28W8-K24 HydrophobicContact CD2-CB 3.68Å; W8-K24 HydrophobicContact CD2-CG 4Å; W8-K24 HydrophobicContact CE3-CB 4Å; W8-K24 HydrophobicContact CG-CB 3.94Å; W8-K24 HydrophobicContact CG-CD 4.46Å; W8-K24 HydrophobicContact CG-CG 4.29Å; W8-K24 HydrophobicContact CZ2-CG 4.14Å; A20-K24 WeakPolarHBondContact O-CB 3.41Å; A20-K24 PolarHBondContact O-N 3.19Å; K21-K24 PolarHBondContact O-N 3.18Å; Q22-K24 PolarHBondContact O-N 2.91Å; K24-W27 WeakPolarHBondContact O-CB 3.36Å; K24-W27 PolarHBondContact O-N 2.81Å; K24-Y28 HydrophobicContact CD-CE2 4.44Å; K24-Y28 HydrophobicContact CG-CD2 3.82Å; K24-Y28 HydrophobicContact CG-CE2 3.84Å; K24-Y28 WeakPolarHBondContact O-CD2 3.5Å; K24-Y28 PolarHBondContact O-N 2.8Å; K24-Y28 VanDerWaalsContact O-N 3.11Å
25A96Very high95.5Very high34 Ų3473.1 Ų73.128%0.28137%0.366SS..Hα-helixtrans-60.2-48.4178.800000111K21 Q22 W27 Y28 E29 E109K21-A25 PolarHBondContact O-N 2.83Å; Q22-A25 PolarHBondContact O-N 3.46Å; A25-W27 PolarHBondContact O-N 2.79Å; A25-Y28 PolarHBondContact O-N 3.26Å; A25-Y28 VanDerWaalsContact O-N 3.14Å; A25-E29 WeakPolarHBondContact O-CB 3.36Å; A25-E29 WeakPolarHBondContact O-CG 3.23Å; A25-E29 PolarHBondContact O-N 3.42Å; A25-E109 HydrophobicContact CB-CB 4.09Å; A25-E109 HydrophobicContact CB-CG 3.85Å
26R96.5Very high95.4Very high49 Ų4974 Ų7419%0.18537%0.367CS..Hα-helixtrans-57.3-33175.9-172.251.3162.7178.4-9.4113Q22 W30 L31 E109 K111Q22-R26 VanDerWaalsContact O-CB 3.29Å; Q22-R26 WeakPolarHBondContact O-CB 3.38Å; Q22-R26 PolarHBondContact O-N 2.92Å; R26-W30 PolarHBondContact O-N 2.89Å; R26-L31 HydrophobicContact CG-CD1 3.99Å; R26-L31 HydrophobicContact CG-CG 4.38Å; R26-L31 PolarHBondContact O-N 3.43Å; R26-E109 HydrophobicContact CB-CB 4.13Å; R26-E109 HydrophobicContact CB-CG 3.82Å; R26-E109 VanDerWaalsContact CD-O 3.29Å; R26-E109 WeakPolarHBondContact CD-O 3.46Å; R26-E109 VanDerWaalsContact NH1-C 3.3Å; R26-E109 PolarHBondContact NH1-O 3.37Å; R26-K111 PolarHBondContact NH1-O 2.95Å; R26-K111 PolarHBondContact NH2-O 3.41Å
27W96.4Very high95.5Very high66 Ų6676 Ų7625%0.2538%0.375CS..Iπ-helixtrans-66.7-58.7172.5-177.3-86.8000112W8 C23 K24 A25 L31 D32W8-W27 HydrophobicContact CH2-CB 3.43Å; W8-W27 VanDerWaalsContact CH2-CB 3.43Å; W8-W27 AromaticContact CH2-CD1 3.9Å; W8-W27 HydrophobicContact CH2-CD2 4.19Å; W8-W27 AromaticContact CH2-CG 3.49Å; W8-W27 HydrophobicContact CH2-CG 3.49Å; W8-W27 VanDerWaalsContact CH2-CG 3.49Å; W8-W27 HydrophobicContact CZ2-CB 4.41Å; W8-W27 HydrophobicContact CZ2-CG 4.38Å; W8-W27 HydrophobicContact CZ3-CB 3.79Å; W8-W27 HydrophobicContact CZ3-CG 4.25Å; C23-W27 PolarHBondContact O-N 3.4Å; K24-W27 WeakPolarHBondContact O-CB 3.36Å; K24-W27 PolarHBondContact O-N 2.81Å; A25-W27 PolarHBondContact O-N 2.79Å; W27-L31 HydrophobicContact CD2-CB 4.29Å; W27-L31 HydrophobicContact CE3-CB 3.77Å; W27-L31 HydrophobicContact CE3-CD1 4.4Å; W27-L31 HydrophobicContact CZ3-CB 4.04Å; W27-L31 CarbonylContact O-C 3.43Å; W27-L31 PolarHBondContact O-N 3.25Å; W27-D32 HydrophobicContact CZ2-CB 4.29Å; W27-D32 PolarHBondContact NE1-OD2 2.8Å; W27-D32 PolarHBondContact O-N 2.92Å
28Y95.5Very high95.5Very high100 Ų10073.3 Ų73.339%0.39238%0.376SS..Iπ-helixtrans-74.4-26.8-172.5-73.1-77.1000114.8W8 K24 A25W8-Y28 AromaticContact CZ2-CE2 3.86Å; W8-Y28 HydrophobicContact CZ2-CE2 3.86Å; K24-Y28 HydrophobicContact CD-CE2 4.44Å; K24-Y28 HydrophobicContact CG-CD2 3.82Å; K24-Y28 HydrophobicContact CG-CE2 3.84Å; K24-Y28 WeakPolarHBondContact O-CD2 3.5Å; K24-Y28 PolarHBondContact O-N 2.8Å; K24-Y28 VanDerWaalsContact O-N 3.11Å; A25-Y28 PolarHBondContact O-N 3.26Å; A25-Y28 VanDerWaalsContact O-N 3.14Å
29E95Very high95.4Very high28 Ų2876.1 Ų76.113%0.13139%0.391CS..Iπ-helixtrans-90.4-18.1179.6-57.7-74.2165.900112.7A25 R60 N71A25-E29 WeakPolarHBondContact O-CB 3.36Å; A25-E29 WeakPolarHBondContact O-CG 3.23Å; A25-E29 PolarHBondContact O-N 3.42Å; E29-R60 IonicContact OE1-NH1 3.21Å; E29-N71 VanDerWaalsContact CD-ND2 3.31Å; E29-N71 PolarHBondContact OE2-ND2 3.48Å
30W95.1Very high95.3Very high60 Ų6075.4 Ų75.423%0.22738%0.377CS..Iπ-helixtrans-144.3-38.6-177.9-166.1-102.8000117.3R26 K37 T110 P112R26-W30 PolarHBondContact O-N 2.89Å; W30-K37 VanDerWaalsContact CE2-NZ 3.26Å; W30-K37 HydrophobicContact CH2-CD 4.29Å; W30-K37 HydrophobicContact CZ2-CD 4.23Å; W30-K37 HydrophobicContact CZ3-CD 4.47Å; W30-K37 WeakPolarHBondContact O-CE 3.24Å; W30-K37 PolarHBondContact O-NZ 3.33Å; W30-T110 WeakPolarHBondContact CZ3-O 3.33Å; W30-P112 HydrophobicContact CH2-CG 4.02Å; W30-P112 HydrophobicContact CZ2-CB 4.18Å; W30-P112 HydrophobicContact CZ2-CG 4.13Å
31L95.1Very high95.2Very high93 Ų9376 Ų7649%0.48738%0.38SS..Iπ-helixtrans-92.8-14.4-171.6-58.4168.5000115.4R26 W27 P33R26-L31 HydrophobicContact CG-CD1 3.99Å; R26-L31 HydrophobicContact CG-CG 4.38Å; R26-L31 PolarHBondContact O-N 3.43Å; W27-L31 HydrophobicContact CD2-CB 4.29Å; W27-L31 HydrophobicContact CE3-CB 3.77Å; W27-L31 HydrophobicContact CE3-CD1 4.4Å; W27-L31 HydrophobicContact CZ3-CB 4.04Å; W27-L31 CarbonylContact O-C 3.43Å; W27-L31 PolarHBondContact O-N 3.25Å; L31-P33 WeakPolarHBondContact O-CD 3.24Å
32D94.4Very high95.1Very high15 Ų1576.1 Ų76.18%0.0838%0.375CS..SBendtrans-70.5124.9178.4-145.5-28.6000110.7K5 W27 S34 V35K5-D32 IonicContact NZ-OD1 2.78Å; K5-D32 PolarHBondContact NZ-OD1 3.22Å; K5-D32 IonicContact NZ-OD2 2.73Å; K5-D32 PolarHBondContact NZ-OD2 3.12Å; W27-D32 HydrophobicContact CZ2-CB 4.29Å; W27-D32 PolarHBondContact NE1-OD2 2.8Å; W27-D32 PolarHBondContact O-N 2.92Å; D32-S34 PolarHBondContact O-N 3.42Å; D32-V35 HydrophobicContact CB-CG2 4.41Å; D32-V35 WeakPolarHBondContact O-CB 3.43Å; D32-V35 PolarHBondContact O-N 3.35Å
33P94.6Very high95Very high117 Ų11779.7 Ų79.776%0.7639%0.391SS*.THydrogen-bonded Turntrans-60.7-10.2-178.6-27.536.7000115.8L31 V35L31-P33 WeakPolarHBondContact O-CD 3.24Å; P33-V35 VanDerWaalsContact C-N 3.29Å
34S93.1Very high95Very high92 Ų9279.8 Ų79.864%0.64339%0.39SS*.THydrogen-bonded Turntrans-76.7-10.3170.956.90000114.1D32 K36D32-S34 PolarHBondContact O-N 3.42Å; S34-K36 PolarHBondContact O-N 2.77Å
35V94.2Very high94.9Very high19 Ų1976 Ų7612%0.11538%0.375CS..SBendtrans-80.1109.5177.2174.30000109.8D32 P33 K37 T69D32-V35 HydrophobicContact CB-CG2 4.41Å; D32-V35 WeakPolarHBondContact O-CB 3.43Å; D32-V35 PolarHBondContact O-N 3.35Å; P33-V35 VanDerWaalsContact C-N 3.29Å; V35-K37 HydrophobicContact CG1-CG 4.25Å; V35-K37 PolarHBondContact O-N 2.79Å; V35-T69 HydrophobicContact CB-CG2 4.31Å; V35-T69 HydrophobicContact CG1-CG2 3.69Å; V35-T69 HydrophobicContact CG2-CG2 3.66Å
36K94.4Very high94.9Very high88 Ų8879.1 Ų79.138%0.38338%0.384SS..  trans-63.5119.5172.8-67.4179.1-179.5171.20110.6S34 E44 G67 R68 Q72S34-K36 PolarHBondContact O-N 2.77Å; K36-E44 WeakPolarHBondContact CD-OE1 3.37Å; K36-E44 IonicContact NZ-OE1 3.45Å; K36-E44 PolarHBondContact NZ-OE1 2.99Å; K36-G67 WeakPolarHBondContact CD-O 3.25Å; K36-R68 PolarHBondContact O-NH1 3.44Å; K36-Q72 PolarHBondContact O-NE2 2.97Å; K36-Q72 PolarHBondContact O-OE1 2.84Å
37K93.2Very high94.8Very high103 Ų10381.1 Ų81.145%0.44839%0.394SS..  trans-114.55.5174-59.7-176.5-171.6176.80113.9W30 V35W30-K37 VanDerWaalsContact CE2-NZ 3.26Å; W30-K37 HydrophobicContact CH2-CD 4.29Å; W30-K37 HydrophobicContact CZ2-CD 4.23Å; W30-K37 HydrophobicContact CZ3-CD 4.47Å; W30-K37 WeakPolarHBondContact O-CE 3.24Å; W30-K37 PolarHBondContact O-NZ 3.33Å; V35-K37 HydrophobicContact CG1-CG 4.25Å; V35-K37 PolarHBondContact O-N 2.79Å
38T93.6Very high94.8Very high101 Ų10178 Ų7862%0.6238%0.382SS*.SBendtrans-63.6167.4168.753.60000110.4R68T38-R68 PolarHBondContact O-NH1 3.27Å; T38-R68 PolarHBondContact O-NH2 3.07Å; T38-R68 PolarHBondContact OG1-NH2 2.9Å
39E94.1Very high94.7Very high170 Ų17076.7 Ų76.779%0.79438%0.381SS*.PPolyproline II helixtrans-55156.1166.2-171.4163.7-161.200111.4R68E39-R68 PolarHBondContact O-NH2 3.39Å
40W95.2Very high94.7Very high37 Ų3781.2 Ų81.214%0.1440%0.402CS..PPolyproline II helixtrans-75.7128.6177.3-78.180.2000110.6E44 L48 V66 R68 Q72 R76W40-E44 HydrophobicContact CE3-CB 3.73Å; W40-E44 HydrophobicContact CZ3-CB 4.1Å; W40-L48 HydrophobicContact CH2-CD2 3.91Å; W40-L48 HydrophobicContact CZ3-CB 4.25Å; W40-L48 HydrophobicContact CZ3-CD2 3.8Å; W40-L48 HydrophobicContact CZ3-CG 4.49Å; W40-V66 HydrophobicContact CH2-CG1 4.06Å; W40-V66 HydrophobicContact CZ3-CG1 3.7Å; W40-R68 HydrophobicContact CH2-CB 3.88Å; W40-R68 HydrophobicContact CH2-CG 3.6Å; W40-R68 HydrophobicContact CZ2-CB 4.07Å; W40-R68 HydrophobicContact CZ2-CG 3.8Å; W40-R68 HydrophobicContact CZ3-CG 4.02Å; W40-Q72 HydrophobicContact CZ2-CB 4.14Å; W40-Q72 WeakPolarHBondContact CZ2-O 3.36Å; W40-R76 HydrophobicContact CD2-CB 4.14Å; W40-R76 HydrophobicContact CD2-CG 3.62Å; W40-R76 HydrophobicContact CE3-CG 3.95Å; W40-R76 HydrophobicContact CG-CG 3.97Å; W40-R76 HydrophobicContact CH2-CB 4.11Å; W40-R76 HydrophobicContact CH2-CG 4.32Å; W40-R76 HydrophobicContact CZ2-CB 3.59Å; W40-R76 HydrophobicContact CZ2-CG 4.01Å; W40-R76 HydrophobicContact CZ3-CG 4.28Å
41S95.6Very high94.8Very high49 Ų4979.2 Ų79.234%0.34340%0.396SS..PPolyproline II helixtrans-78.3154.8171.9780000110.5E43 E44 D45S41-E43 PolarHBondContact O-N 2.79Å; S41-E44 WeakPolarHBondContact O-CA 3.38Å; S41-E44 WeakPolarHBondContact O-CB 3.4Å; S41-E44 PolarHBondContact O-N 3.18Å; S41-E44 WeakPolarHBondContact OG-CG 3.18Å; S41-E44 PolarHBondContact OG-N 3.21Å; S41-D45 PolarHBondContact O-N 3.28Å
42R94.4Very high94.7Very high188 Ų18875 Ų7571%0.70938%0.375SS*.Hα-helixtrans-55.5-37.9174.7-179.4177.1168.5177.7-4.7112.4E44 D45 E46R42-E44 VanDerWaalsContact C-N 3.32Å; R42-E44 PolarHBondContact O-N 3Å; R42-D45 PolarHBondContact O-N 3.18Å; R42-E46 HydrophobicContact CG-CG 4.37Å; R42-E46 IonicContact CZ-OE1 3.42Å; R42-E46 IonicContact NE-OE1 3.53Å; R42-E46 PolarHBondContact NE-OE1 2.92Å; R42-E46 IonicContact NH2-OE1 2.71Å; R42-E46 PolarHBondContact NH2-OE1 3.5Å; R42-E46 WeakPolarHBondContact O-CB 3.33Å; R42-E46 WeakPolarHBondContact O-CG 3.44Å; R42-E46 PolarHBondContact O-N 3.2Å
43E95.9Very high94.7Very high150 Ų15083 Ų8370%0.70141%0.408SS*.Hα-helixtrans-65-33.2175.5-60.7177.3-171.500113S41 K47S41-E43 PolarHBondContact O-N 2.79Å; E43-K47 WeakPolarHBondContact O-CB 3.09Å; E43-K47 PolarHBondContact O-N 3.31Å; E43-K47 VanDerWaalsContact O-N 3.17Å
44E95.5Very high94.8Very high16 Ų1683 Ų838%0.07540%0.402CS..Hα-helixtrans-74.6-39175.3-72.4178.917300111.5K36 W40 S41 R42 L48 V66 R68K36-E44 WeakPolarHBondContact CD-OE1 3.37Å; K36-E44 IonicContact NZ-OE1 3.45Å; K36-E44 PolarHBondContact NZ-OE1 2.99Å; W40-E44 HydrophobicContact CE3-CB 3.73Å; W40-E44 HydrophobicContact CZ3-CB 4.1Å; S41-E44 WeakPolarHBondContact O-CA 3.38Å; S41-E44 WeakPolarHBondContact O-CB 3.4Å; S41-E44 PolarHBondContact O-N 3.18Å; S41-E44 WeakPolarHBondContact OG-CG 3.18Å; S41-E44 PolarHBondContact OG-N 3.21Å; R42-E44 VanDerWaalsContact C-N 3.32Å; R42-E44 PolarHBondContact O-N 3Å; E44-L48 WeakPolarHBondContact O-CB 3.39Å; E44-L48 PolarHBondContact O-N 2.84Å; E44-V66 HydrophobicContact CB-CG1 4.35Å; E44-R68 IonicContact OE2-CZ 3.79Å; E44-R68 IonicContact OE2-NE 3.96Å; E44-R68 PolarHBondContact OE2-NE 3.42Å; E44-R68 IonicContact OE2-NH2 2.87Å; E44-R68 PolarHBondContact OE2-NH2 2.82Å
45D95.4Very high94.7Very high21 Ų2180.5 Ų80.511%0.11238%0.38CS..Hα-helixtrans-66.5-46.5174.8-75.6-24.6000112.4S41 R42 K47 L48 L49 R76 L80S41-D45 PolarHBondContact O-N 3.28Å; R42-D45 PolarHBondContact O-N 3.18Å; D45-K47 VanDerWaalsContact C-N 3.33Å; D45-K47 PolarHBondContact O-N 2.75Å; D45-L48 WeakPolarHBondContact O-CB 3.42Å; D45-L48 PolarHBondContact O-N 3.39Å; D45-L49 WeakPolarHBondContact O-CG 3.19Å; D45-L49 PolarHBondContact O-N 3.21Å; D45-R76 WeakPolarHBondContact OD1-CG 3.48Å; D45-R76 IonicContact OD1-CZ 2.58Å; D45-R76 IonicContact OD1-NE 3.19Å; D45-R76 PolarHBondContact OD1-NE 2.78Å; D45-R76 IonicContact OD1-NH2 3.58Å; D45-R76 IonicContact OD2-CZ 3.36Å; D45-R76 IonicContact OD2-NE 3.94Å; D45-R76 PolarHBondContact OD2-NE 3.26Å; D45-R76 IonicContact OD2-NH2 3.21Å; D45-R76 PolarHBondContact OD2-NH2 2.79Å; D45-L80 HydrophobicContact CB-CD1 4.16Å
46E94.9Very high94.7Very high100 Ų10083.7 Ų83.747%0.46740%0.401SS..Hα-helixtrans-63-40.4177.4-74179.517900111.2R42 H50R42-E46 HydrophobicContact CG-CG 4.37Å; R42-E46 IonicContact CZ-OE1 3.42Å; R42-E46 IonicContact NE-OE1 3.53Å; R42-E46 PolarHBondContact NE-OE1 2.92Å; R42-E46 IonicContact NH2-OE1 2.71Å; R42-E46 PolarHBondContact NH2-OE1 3.5Å; R42-E46 WeakPolarHBondContact O-CB 3.33Å; R42-E46 WeakPolarHBondContact O-CG 3.44Å; R42-E46 PolarHBondContact O-N 3.2Å; E46-H50 WeakPolarHBondContact O-CB 3.33Å; E46-H50 PolarHBondContact O-N 3.38Å
47K95.3Very high94.7Very high90 Ų9085 Ų8539%0.39142%0.417SS..Hα-helixtrans-66.1-40.5173.4-175.3-175.7-62.1170.30112.3E43 D45 L51 V66E43-K47 WeakPolarHBondContact O-CB 3.09Å; E43-K47 PolarHBondContact O-N 3.31Å; E43-K47 VanDerWaalsContact O-N 3.17Å; D45-K47 VanDerWaalsContact C-N 3.33Å; D45-K47 PolarHBondContact O-N 2.75Å; K47-L51 HydrophobicContact CG-CD1 3.86Å; K47-L51 HydrophobicContact CG-CG 4.42Å; K47-L51 WeakPolarHBondContact O-CB 3.21Å; K47-L51 VanDerWaalsContact O-CG 3.25Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 3.07Å; K47-V66 HydrophobicContact CD-CG2 4.48Å; K47-V66 HydrophobicContact CG-CG2 4.44Å
48L96Very high94.8Very high0 Ų084.7 Ų84.70%042%0.417CS..Hα-helixtrans-61.5-50176.5176.665.9000110.9W40 E44 D45 L51 A52 W59 I62 C73 R76 L80W40-L48 HydrophobicContact CH2-CD2 3.91Å; W40-L48 HydrophobicContact CZ3-CB 4.25Å; W40-L48 HydrophobicContact CZ3-CD2 3.8Å; W40-L48 HydrophobicContact CZ3-CG 4.49Å; E44-L48 WeakPolarHBondContact O-CB 3.39Å; E44-L48 PolarHBondContact O-N 2.84Å; D45-L48 WeakPolarHBondContact O-CB 3.42Å; D45-L48 PolarHBondContact O-N 3.39Å; L48-L51 PolarHBondContact O-N 3.26Å; L48-A52 VanDerWaalsContact O-CB 3.22Å; L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 3.41Å; L48-W59 HydrophobicContact CD1-CZ3 4Å; L48-I62 HydrophobicContact CD1-CG2 4.1Å; L48-C73 HydrophobicContact CD1-CB 3.77Å; L48-R76 HydrophobicContact CD2-CB 3.86Å; L48-R76 HydrophobicContact CD2-CG 3.76Å; L48-L80 HydrophobicContact CD2-CD1 4.32Å
49L93.8Very high94.9Very high73 Ų7381.5 Ų81.538%0.38239%0.394SS..Hα-helixtrans-63.5-41.8178.7-70.3170.8000112D45 K53 Y77 L80D45-L49 WeakPolarHBondContact O-CG 3.19Å; D45-L49 PolarHBondContact O-N 3.21Å; L49-K53 WeakPolarHBondContact O-CB 3.33Å; L49-K53 PolarHBondContact O-N 2.89Å; L49-Y77 HydrophobicContact CD2-CD2 4.03Å; L49-Y77 HydrophobicContact CD2-CE2 4.11Å; L49-L80 HydrophobicContact CD1-CD1 4.29Å; L49-L80 HydrophobicContact CD2-CB 4.43Å; L49-L80 HydrophobicContact CD2-CD1 4.27Å; L49-L80 HydrophobicContact CG-CD1 4.15Å
50H95.3Very high94.9Very high124 Ų12482.1 Ų82.157%0.57439%0.389SS*.Hα-helixtrans-62-48.2175.4-177.183.1000112E46 K53 L54E46-H50 WeakPolarHBondContact O-CB 3.33Å; E46-H50 PolarHBondContact O-N 3.38Å; H50-K53 PolarHBondContact O-N 2.9Å; H50-L54 WeakPolarHBondContact O-CB 3.33Å; H50-L54 PolarHBondContact O-N 2.84Å
51L96.1Very high95Very high18 Ų1883.6 Ų83.69%0.09440%0.402CS..Hα-helixtrans-70.2-34.3-179.7-69.5173.7000112.9K47 L48 L54 M55 I62 I65 V66K47-L51 HydrophobicContact CG-CD1 3.86Å; K47-L51 HydrophobicContact CG-CG 4.42Å; K47-L51 WeakPolarHBondContact O-CB 3.21Å; K47-L51 VanDerWaalsContact O-CG 3.25Å; K47-L51 WeakPolarHBondContact O-CG 3.41Å; K47-L51 PolarHBondContact O-N 3.07Å; L48-L51 PolarHBondContact O-N 3.26Å; L51-L54 PolarHBondContact O-N 2.8Å; L51-M55 HydrophobicContact CD2-CE 4.15Å; L51-M55 PolarHBondContact O-N 3.5Å; L51-I62 HydrophobicContact CB-CG1 4.18Å; L51-I62 HydrophobicContact CB-CG2 3.9Å; L51-I62 HydrophobicContact CD1-CG2 4.15Å; L51-I65 HydrophobicContact CD1-CB 3.9Å; L51-I65 HydrophobicContact CD1-CG2 3.69Å; L51-V66 HydrophobicContact CD1-CG2 3.96Å
52A94.7Very high95Very high4 Ų481.3 Ų81.33%0.03339%0.386CS..Hα-helixtrans-67.3-35.9173.800000112.1L48 M55 P56 W59 I62 Y77L48-A52 VanDerWaalsContact O-CB 3.22Å; L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 3.41Å; A52-M55 CarbonylContact O-C 3.48Å; A52-P56 WeakPolarHBondContact O-CA 3.4Å; A52-W59 HydrophobicContact CB-CH2 3.79Å; A52-W59 HydrophobicContact CB-CZ3 4.04Å; A52-I62 HydrophobicContact CB-CD1 4.42Å; A52-Y77 HydrophobicContact CB-CD2 3.71Å; A52-Y77 HydrophobicContact CB-CE2 3.49Å; A52-Y77 VanDerWaalsContact CB-CE2 3.49Å
53K94.4Very high95Very high182 Ų18272.6 Ų72.679%0.79135%0.354SS*.Hα-helixtrans-69.3-34.8172.5-170.1178.4-177.268.90112.5L49 H50L49-K53 WeakPolarHBondContact O-CB 3.33Å; L49-K53 PolarHBondContact O-N 2.89Å; H50-K53 PolarHBondContact O-N 2.9Å
54L94.8Very high95Very high119 Ų11970.3 Ų70.362%0.62335%0.352SS*.Hα-helixtrans-80-35.6-179.7-174.564.6000113.2H50 L51H50-L54 WeakPolarHBondContact O-CB 3.33Å; H50-L54 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 2.8Å
55M92.9Very high94.9Very high39 Ų3974 Ų7419%0.19237%0.371CS..SBendtrans-130.673.8-179.1-63.2-175.1-69.900110.8L51 A52 T57 Q58 T61 I62 I65L51-M55 HydrophobicContact CD2-CE 4.15Å; L51-M55 PolarHBondContact O-N 3.5Å; A52-M55 CarbonylContact O-C 3.48Å; M55-T57 PolarHBondContact O-N 2.85Å; M55-Q58 HydrophobicContact CB-CB 4.13Å; M55-Q58 HydrophobicContact CB-CG 4.26Å; M55-Q58 PolarHBondContact O-N 3.28Å; M55-T61 HydrophobicContact CE-CG2 4.16Å; M55-T61 HydrophobicContact SD-CG2 3.91Å; M55-I62 HydrophobicContact CE-CG1 4.06Å; M55-I65 HydrophobicContact CE-CD1 4.12Å
56P93.7Very high94.9Very high85 Ų8573.2 Ų73.255%0.55237%0.367SS*.THydrogen-bonded Turntrans-49.7129.4-175.5-29.736.5000113.3A52 Q58A52-P56 WeakPolarHBondContact O-CA 3.4Å; P56-Q58 WeakPolarHBondContact O-CG 3.17Å; P56-Q58 PolarHBondContact O-N 3.08Å
57T93.3Very high94.8Very high116 Ų11670 Ų7071%0.71236%0.361SS*.THydrogen-bonded Turntrans569.4179.267.90000117.5M55 W59M55-T57 PolarHBondContact O-N 2.85Å; T57-W59 VanDerWaalsContact C-N 3.25Å; T57-W59 VanDerWaalsContact O-CD1 3.26Å; T57-W59 PolarHBondContact O-N 2.87Å
58Q96.3Very high94.7Very high96 Ų9666.4 Ų66.445%0.44935%0.345SS..  trans-83.652.8-178.5-56.8-166.425.300113.8M55 P56 R60 T61 I62M55-Q58 HydrophobicContact CB-CB 4.13Å; M55-Q58 HydrophobicContact CB-CG 4.26Å; M55-Q58 PolarHBondContact O-N 3.28Å; P56-Q58 WeakPolarHBondContact O-CG 3.17Å; P56-Q58 PolarHBondContact O-N 3.08Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 2.94Å; Q58-R60 VanDerWaalsContact O-N 3.1Å; Q58-T61 WeakPolarHBondContact O-CA 3.34Å; Q58-T61 WeakPolarHBondContact O-CB 3.38Å; Q58-T61 PolarHBondContact O-N 3.16Å; Q58-I62 WeakPolarHBondContact O-CG1 3.43Å; Q58-I62 PolarHBondContact O-N 2.78Å
59W95.5Very high94.7Very high34 Ų3467.1 Ų67.113%0.12935%0.35CS..Hα-helixtrans-56.1-33.8-170.1-55.6115000115.1L48 A52 T57 T61 I62 A63 A70 C73 L74 Y77L48-W59 HydrophobicContact CD1-CZ3 4Å; A52-W59 HydrophobicContact CB-CH2 3.79Å; A52-W59 HydrophobicContact CB-CZ3 4.04Å; T57-W59 VanDerWaalsContact C-N 3.25Å; T57-W59 VanDerWaalsContact O-CD1 3.26Å; T57-W59 PolarHBondContact O-N 2.87Å; W59-T61 VanDerWaalsContact C-N 3.3Å; W59-T61 PolarHBondContact O-N 3.4Å; W59-I62 HydrophobicContact CE3-CD1 3.89Å; W59-I62 HydrophobicContact CZ3-CD1 3.92Å; W59-I62 PolarHBondContact O-N 2.9Å; W59-A63 WeakPolarHBondContact O-CB 3.3Å; W59-A63 PolarHBondContact O-N 3.33Å; W59-A70 HydrophobicContact CB-CB 4.18Å; W59-C73 HydrophobicContact CE3-CB 4.02Å; W59-L74 HydrophobicContact CD2-CB 4.23Å; W59-L74 HydrophobicContact CG-CB 4.27Å; W59-L74 HydrophobicContact CZ2-CD1 4.09Å; W59-Y77 AromaticContact CH2-CD1 3.48Å; W59-Y77 HydrophobicContact CH2-CD1 3.48Å; W59-Y77 VanDerWaalsContact CH2-CD1 3.48Å; W59-Y77 AromaticContact CH2-CD2 3.83Å; W59-Y77 HydrophobicContact CH2-CD2 3.83Å; W59-Y77 HydrophobicContact CH2-CE1 4.02Å; W59-Y77 HydrophobicContact CH2-CE2 4.34Å; W59-Y77 AromaticContact CH2-CG 3.37Å; W59-Y77 HydrophobicContact CH2-CG 3.37Å; W59-Y77 AromaticContact CZ2-CD1 3.7Å; W59-Y77 HydrophobicContact CZ2-CD1 3.7Å; W59-Y77 HydrophobicContact CZ2-CE1 4.11Å; W59-Y77 HydrophobicContact CZ2-CG 4.08Å; W59-Y77 HydrophobicContact CZ3-CG 4.19Å
60R94.9Very high94.8Very high184 Ų18464.2 Ų64.269%0.69434%0.336SS*.Hα-helixtrans-71.2-22175.7-64.7-167.7-177.2-76.1-2.3113.7E29 Q58 P64 A70E29-R60 IonicContact OE1-NH1 3.21Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 2.94Å; Q58-R60 VanDerWaalsContact O-N 3.1Å; R60-P64 VanDerWaalsContact O-CD 3.26Å; R60-P64 WeakPolarHBondContact O-CD 3.34Å; R60-A70 HydrophobicContact CG-CB 4.07Å
61T96.2Very high94.7Very high68 Ų6859.7 Ų59.742%0.41732%0.316SS..Hα-helixtrans-86.4-38.3173.7-45.70000111.1M55 Q58 W59 I65M55-T61 HydrophobicContact CE-CG2 4.16Å; M55-T61 HydrophobicContact SD-CG2 3.91Å; Q58-T61 WeakPolarHBondContact O-CA 3.34Å; Q58-T61 WeakPolarHBondContact O-CB 3.38Å; Q58-T61 PolarHBondContact O-N 3.16Å; W59-T61 VanDerWaalsContact C-N 3.3Å; W59-T61 PolarHBondContact O-N 3.4Å; T61-I65 WeakPolarHBondContact O-CD1 3.2Å
62I96.3Very high94.6Very high0 Ų060 Ų600%032%0.317CS..Hα-helixtrans-70.5-45.2-179.9-63.4168.2000111.6L48 L51 A52 M55 Q58 W59 I65 V66L48-I62 HydrophobicContact CD1-CG2 4.1Å; L51-I62 HydrophobicContact CB-CG1 4.18Å; L51-I62 HydrophobicContact CB-CG2 3.9Å; L51-I62 HydrophobicContact CD1-CG2 4.15Å; A52-I62 HydrophobicContact CB-CD1 4.42Å; M55-I62 HydrophobicContact CE-CG1 4.06Å; Q58-I62 WeakPolarHBondContact O-CG1 3.43Å; Q58-I62 PolarHBondContact O-N 2.78Å; W59-I62 HydrophobicContact CE3-CD1 3.89Å; W59-I62 HydrophobicContact CZ3-CD1 3.92Å; W59-I62 PolarHBondContact O-N 2.9Å; I62-I65 WeakPolarHBondContact O-CB 3.38Å; I62-I65 PolarHBondContact O-N 2.85Å; I62-V66 HydrophobicContact CG2-CG2 3.77Å; I62-V66 PolarHBondContact O-N 2.83Å; I62-V66 VanDerWaalsContact O-N 3.12Å
63A94.5Very high94.6Very high6 Ų659.8 Ų59.85%0.0532%0.315CS..Hα-helixtrans-52.8-47.9-172.700000115.3W59 I65 V66 G67 R68 A70W59-A63 WeakPolarHBondContact O-CB 3.3Å; W59-A63 PolarHBondContact O-N 3.33Å; A63-I65 PolarHBondContact O-N 2.6Å; A63-V66 PolarHBondContact O-N 3.44Å; A63-G67 PolarHBondContact O-N 2.89Å; A63-R68 CarbonylContact C-O 3.56Å; A63-R68 VanDerWaalsContact CB-O 3.27Å; A63-R68 WeakPolarHBondContact CB-O 3.26Å; A63-R68 PolarHBondContact O-N 3.43Å; A63-A70 HydrophobicContact CB-CB 4.17Å
64P94.7Very high94.6Very high101 Ų10153.6 Ų53.666%0.65629%0.29SS*.Hα-helixtrans-60.8-26.9175.5-25.335.5000114.8R60R60-P64 VanDerWaalsContact O-CD 3.26Å; R60-P64 WeakPolarHBondContact O-CD 3.34Å
65I94.8Very high94.5Very high93 Ų9354.2 Ų54.248%0.47729%0.29SS..Hα-helixtrans-83.3-33.3-178.3-51172.2000110.9L51 M55 T61 I62 A63L51-I65 HydrophobicContact CD1-CB 3.9Å; L51-I65 HydrophobicContact CD1-CG2 3.69Å; M55-I65 HydrophobicContact CE-CD1 4.12Å; T61-I65 WeakPolarHBondContact O-CD1 3.2Å; I62-I65 WeakPolarHBondContact O-CB 3.38Å; I62-I65 PolarHBondContact O-N 2.85Å; A63-I65 PolarHBondContact O-N 2.6Å
66V93.6Very high94.6Very high5 Ų554.5 Ų54.53%0.0329%0.289CS..Hα-helixtrans-78-33.1173.2-179.30000111.4W40 E44 K47 L51 I62 A63 R68W40-V66 HydrophobicContact CH2-CG1 4.06Å; W40-V66 HydrophobicContact CZ3-CG1 3.7Å; E44-V66 HydrophobicContact CB-CG1 4.35Å; K47-V66 HydrophobicContact CD-CG2 4.48Å; K47-V66 HydrophobicContact CG-CG2 4.44Å; L51-V66 HydrophobicContact CD1-CG2 3.96Å; I62-V66 HydrophobicContact CG2-CG2 3.77Å; I62-V66 PolarHBondContact O-N 2.83Å; I62-V66 VanDerWaalsContact O-N 3.12Å; A63-V66 PolarHBondContact O-N 3.44Å; V66-R68 HydrophobicContact CG1-CB 4.22Å; V66-R68 HydrophobicContact CG1-CG 3.85Å
67G93.3Very high94.7Very high32 Ų3253.3 Ų53.333%0.3327%0.274SS..THydrogen-bonded Turntrans85.628.9-175.200000113.8K36 A63K36-G67 WeakPolarHBondContact CD-O 3.25Å; A63-G67 PolarHBondContact O-N 2.89Å
68R94.6Very high94.7Very high15 Ų1553.1 Ų53.16%0.05727%0.265CS..SBendtrans-127.5169.7179.8-66.3-83.7178.1170.49108.7K36 T38 E39 W40 E44 A63 V66 Q72K36-R68 PolarHBondContact O-NH1 3.44Å; T38-R68 PolarHBondContact O-NH1 3.27Å; T38-R68 PolarHBondContact O-NH2 3.07Å; T38-R68 PolarHBondContact OG1-NH2 2.9Å; E39-R68 PolarHBondContact O-NH2 3.39Å; W40-R68 HydrophobicContact CH2-CB 3.88Å; W40-R68 HydrophobicContact CH2-CG 3.6Å; W40-R68 HydrophobicContact CZ2-CB 4.07Å; W40-R68 HydrophobicContact CZ2-CG 3.8Å; W40-R68 HydrophobicContact CZ3-CG 4.02Å; E44-R68 IonicContact OE2-CZ 3.79Å; E44-R68 IonicContact OE2-NE 3.96Å; E44-R68 PolarHBondContact OE2-NE 3.42Å; E44-R68 IonicContact OE2-NH2 2.87Å; E44-R68 PolarHBondContact OE2-NH2 2.82Å; A63-R68 CarbonylContact C-O 3.56Å; A63-R68 VanDerWaalsContact CB-O 3.27Å; A63-R68 WeakPolarHBondContact CB-O 3.26Å; A63-R68 PolarHBondContact O-N 3.43Å; V66-R68 HydrophobicContact CG1-CB 4.22Å; V66-R68 HydrophobicContact CG1-CG 3.85Å; R68-Q72 HydrophobicContact CB-CB 4.4Å
69T95.2Very high94.5Very high16 Ų1653.7 Ų53.710%0.09826%0.264CS..  trans-79.8159.817566.70000112V35 N71 Q72 C73V35-T69 HydrophobicContact CB-CG2 4.31Å; V35-T69 HydrophobicContact CG1-CG2 3.69Å; V35-T69 HydrophobicContact CG2-CG2 3.66Å; T69-N71 PolarHBondContact O-N 3.28Å; T69-Q72 PolarHBondContact O-N 2.81Å; T69-Q72 VanDerWaalsContact OG1-CG 3.25Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.33Å; T69-Q72 PolarHBondContact OG1-N 3.43Å; T69-Q72 PolarHBondContact OG1-OE1 3.48Å; T69-C73 PolarHBondContact O-N 3.03Å; T69-C73 PolarHBondContact O-SG 2.92Å; T69-C73 VanDerWaalsContact O-SG 3.34Å
70A95.3Very high94.3Very high12 Ų1253.7 Ų53.710%0.09927%0.266CS..Hα-helixtrans-60.2-36.5-17900000112.5W59 R60 A63 L74W59-A70 HydrophobicContact CB-CB 4.18Å; R60-A70 HydrophobicContact CG-CB 4.07Å; A63-A70 HydrophobicContact CB-CB 4.17Å; A70-L74 PolarHBondContact O-N 3.33Å; A70-L74 VanDerWaalsContact O-N 3.14Å
71N93.2Very high94.1Very high29 Ų2948.2 Ų48.216%0.15525%0.251CS..Hα-helixtrans-72.2-42.5176.9-64.7-78.7000111.8E29 T69 C73 L74 E75 N107 T110E29-N71 VanDerWaalsContact CD-ND2 3.31Å; E29-N71 PolarHBondContact OE2-ND2 3.48Å; T69-N71 PolarHBondContact O-N 3.28Å; N71-C73 VanDerWaalsContact C-N 3.32Å; N71-C73 PolarHBondContact O-N 2.87Å; N71-L74 PolarHBondContact O-N 3.02Å; N71-E75 WeakPolarHBondContact O-CB 3.18Å; N71-E75 PolarHBondContact O-N 3.46Å; N71-N107 PolarHBondContact OD1-ND2 3.44Å; N71-N107 VanDerWaalsContact OD1-ND2 3.1Å; N71-T110 HydrophobicContact CB-CG2 3.6Å; N71-T110 VanDerWaalsContact CG-CG2 3.41Å
72Q94.7Very high93.6Very high24 Ų2448.9 Ų48.911%0.11225%0.252CS..Hα-helixtrans-58.6-42.3172.8-75.3175.9-29.400112.1K36 W40 R68 T69 R76K36-Q72 PolarHBondContact O-NE2 2.97Å; K36-Q72 PolarHBondContact O-OE1 2.84Å; W40-Q72 HydrophobicContact CZ2-CB 4.14Å; W40-Q72 WeakPolarHBondContact CZ2-O 3.36Å; R68-Q72 HydrophobicContact CB-CB 4.4Å; T69-Q72 PolarHBondContact O-N 2.81Å; T69-Q72 VanDerWaalsContact OG1-CG 3.25Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.33Å; T69-Q72 PolarHBondContact OG1-N 3.43Å; T69-Q72 PolarHBondContact OG1-OE1 3.48Å; Q72-R76 VanDerWaalsContact O-CB 3.3Å; Q72-R76 WeakPolarHBondContact O-CB 3.35Å; Q72-R76 PolarHBondContact O-N 3.4Å
73C95.1Very high93.3Very high0 Ų054.5 Ų54.50%028%0.276CS..Hα-helixtrans-63.3-41.3177.2-70.30000112.5L48 W59 T69 N71 Y77L48-C73 HydrophobicContact CD1-CB 3.77Å; W59-C73 HydrophobicContact CE3-CB 4.02Å; T69-C73 PolarHBondContact O-N 3.03Å; T69-C73 PolarHBondContact O-SG 2.92Å; T69-C73 VanDerWaalsContact O-SG 3.34Å; N71-C73 VanDerWaalsContact C-N 3.32Å; N71-C73 PolarHBondContact O-N 2.87Å; C73-Y77 VanDerWaalsContact O-CB 3.23Å; C73-Y77 WeakPolarHBondContact O-CB 3.29Å; C73-Y77 PolarHBondContact O-N 3.13Å
74L93.8Very high92.9Very high51 Ų5156.7 Ų56.727%0.26729%0.294SS..Hα-helixtrans-65.2-53.7176.2172.159.3000111.1W59 A70 N71 R76 Y77 E78W59-L74 HydrophobicContact CD2-CB 4.23Å; W59-L74 HydrophobicContact CG-CB 4.27Å; W59-L74 HydrophobicContact CZ2-CD1 4.09Å; A70-L74 PolarHBondContact O-N 3.33Å; A70-L74 VanDerWaalsContact O-N 3.14Å; N71-L74 PolarHBondContact O-N 3.02Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 3.19Å; L74-Y77 WeakPolarHBondContact O-CB 3.36Å; L74-Y77 PolarHBondContact O-N 2.82Å; L74-E78 HydrophobicContact CD1-CG 3.92Å; L74-E78 WeakPolarHBondContact CD1-OE1 3.35Å; L74-E78 PolarHBondContact O-N 3.24Å
75E92.7Very high92.3Very high133 Ų13357.7 Ų57.762%0.62129%0.29SS*.Hα-helixtrans-58.3-41.1-179.5-177.2176.2-15100111.8N71 Y79N71-E75 WeakPolarHBondContact O-CB 3.18Å; N71-E75 PolarHBondContact O-N 3.46Å; E75-Y79 VanDerWaalsContact O-CB 3.3Å; E75-Y79 WeakPolarHBondContact O-CB 3.47Å; E75-Y79 PolarHBondContact O-N 3.08Å
76R95Very high91.2Very high44 Ų4457.7 Ų57.717%0.16629%0.291CS..Hα-helixtrans-68.2-39.4174.4-175.760.1168.4-166.2-5.1112.5W40 D45 L48 Q72 L74 Y79 L80W40-R76 HydrophobicContact CD2-CB 4.14Å; W40-R76 HydrophobicContact CD2-CG 3.62Å; W40-R76 HydrophobicContact CE3-CG 3.95Å; W40-R76 HydrophobicContact CG-CG 3.97Å; W40-R76 HydrophobicContact CH2-CB 4.11Å; W40-R76 HydrophobicContact CH2-CG 4.32Å; W40-R76 HydrophobicContact CZ2-CB 3.59Å; W40-R76 HydrophobicContact CZ2-CG 4.01Å; W40-R76 HydrophobicContact CZ3-CG 4.28Å; D45-R76 WeakPolarHBondContact OD1-CG 3.48Å; D45-R76 IonicContact OD1-CZ 2.58Å; D45-R76 IonicContact OD1-NE 3.19Å; D45-R76 PolarHBondContact OD1-NE 2.78Å; D45-R76 IonicContact OD1-NH2 3.58Å; D45-R76 IonicContact OD2-CZ 3.36Å; D45-R76 IonicContact OD2-NE 3.94Å; D45-R76 PolarHBondContact OD2-NE 3.26Å; D45-R76 IonicContact OD2-NH2 3.21Å; D45-R76 PolarHBondContact OD2-NH2 2.79Å; L48-R76 HydrophobicContact CD2-CB 3.86Å; L48-R76 HydrophobicContact CD2-CG 3.76Å; Q72-R76 VanDerWaalsContact O-CB 3.3Å; Q72-R76 WeakPolarHBondContact O-CB 3.35Å; Q72-R76 PolarHBondContact O-N 3.4Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 3.19Å; R76-Y79 PolarHBondContact O-N 3.4Å; R76-L80 HydrophobicContact CG-CD1 4.03Å; R76-L80 HydrophobicContact CG-CG 4.38Å; R76-L80 WeakPolarHBondContact O-CB 3.48Å; R76-L80 VanDerWaalsContact O-CG 3.23Å; R76-L80 WeakPolarHBondContact O-CG 3.24Å; R76-L80 PolarHBondContact O-N 2.82Å
77Y95.6Very high90Very high60 Ų6068.1 Ų68.124%0.23533%0.33CS..Hα-helixtrans-66-44.6178.2175.8-97.3000111.7L49 A52 W59 C73 L74 L80 L81L49-Y77 HydrophobicContact CD2-CD2 4.03Å; L49-Y77 HydrophobicContact CD2-CE2 4.11Å; A52-Y77 HydrophobicContact CB-CD2 3.71Å; A52-Y77 HydrophobicContact CB-CE2 3.49Å; A52-Y77 VanDerWaalsContact CB-CE2 3.49Å; W59-Y77 AromaticContact CH2-CD1 3.48Å; W59-Y77 HydrophobicContact CH2-CD1 3.48Å; W59-Y77 VanDerWaalsContact CH2-CD1 3.48Å; W59-Y77 AromaticContact CH2-CD2 3.83Å; W59-Y77 HydrophobicContact CH2-CD2 3.83Å; W59-Y77 HydrophobicContact CH2-CE1 4.02Å; W59-Y77 HydrophobicContact CH2-CE2 4.34Å; W59-Y77 AromaticContact CH2-CG 3.37Å; W59-Y77 HydrophobicContact CH2-CG 3.37Å; W59-Y77 AromaticContact CZ2-CD1 3.7Å; W59-Y77 HydrophobicContact CZ2-CD1 3.7Å; W59-Y77 HydrophobicContact CZ2-CE1 4.11Å; W59-Y77 HydrophobicContact CZ2-CG 4.08Å; W59-Y77 HydrophobicContact CZ3-CG 4.19Å; C73-Y77 VanDerWaalsContact O-CB 3.23Å; C73-Y77 WeakPolarHBondContact O-CB 3.29Å; C73-Y77 PolarHBondContact O-N 3.13Å; L74-Y77 WeakPolarHBondContact O-CB 3.36Å; L74-Y77 PolarHBondContact O-N 2.82Å; Y77-L80 PolarHBondContact O-N 3.31Å; Y77-L81 HydrophobicContact CD1-CD1 4.07Å; Y77-L81 HydrophobicContact CD1-CG 4.48Å; Y77-L81 HydrophobicContact CE1-CD1 3.43Å; Y77-L81 VanDerWaalsContact CE1-CD1 3.43Å; Y77-L81 HydrophobicContact CE1-CG 4.11Å; Y77-L81 PolarHBondContact O-N 2.95Å
78E92.7Very high88.5Confident112 Ų11273.8 Ų73.852%0.52335%0.348SS..Hα-helixtrans-61.1-44.9174.3-70.7176.7158.500111L74 L80 L81 D82L74-E78 HydrophobicContact CD1-CG 3.92Å; L74-E78 WeakPolarHBondContact CD1-OE1 3.35Å; L74-E78 PolarHBondContact O-N 3.24Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.42Å; E78-L81 PolarHBondContact O-N 3.29Å; E78-D82 WeakPolarHBondContact O-CB 3.45Å; E78-D82 PolarHBondContact O-N 2.85Å
79Y92.6Very high86.6Confident108 Ų10876.4 Ų76.442%0.42438%0.38SS..Hα-helixtrans-60.3-37.6173.1174.7-95.6000113.4E75 R76 K83E75-Y79 VanDerWaalsContact O-CB 3.3Å; E75-Y79 WeakPolarHBondContact O-CB 3.47Å; E75-Y79 PolarHBondContact O-N 3.08Å; R76-Y79 PolarHBondContact O-N 3.4Å; Y79-K83 HydrophobicContact CE1-CD 3.86Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 2.99Å; Y79-K83 PolarHBondContact OH-NZ 3.3Å
80L92.3Very high84.6Confident34 Ų3481 Ų8118%0.17840%0.403CS..Hα-helixtrans-71.2-31.9177.1-74169.8000112.6D45 L48 L49 R76 Y77 E78 A84D45-L80 HydrophobicContact CB-CD1 4.16Å; L48-L80 HydrophobicContact CD2-CD1 4.32Å; L49-L80 HydrophobicContact CD1-CD1 4.29Å; L49-L80 HydrophobicContact CD2-CB 4.43Å; L49-L80 HydrophobicContact CD2-CD1 4.27Å; L49-L80 HydrophobicContact CG-CD1 4.15Å; R76-L80 HydrophobicContact CG-CD1 4.03Å; R76-L80 HydrophobicContact CG-CG 4.38Å; R76-L80 WeakPolarHBondContact O-CB 3.48Å; R76-L80 VanDerWaalsContact O-CG 3.23Å; R76-L80 WeakPolarHBondContact O-CG 3.24Å; R76-L80 PolarHBondContact O-N 2.82Å; Y77-L80 PolarHBondContact O-N 3.31Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 3.42Å; L80-A84 PolarHBondContact O-N 3.12Å
81L90.2Very high82.3Confident70 Ų7083.1 Ų83.137%0.36642%0.417SS..Hα-helixtrans-71.8-49.2171.8-69.9-176.5000111.7Y77 E78 K83 A84 Q85Y77-L81 HydrophobicContact CD1-CD1 4.07Å; Y77-L81 HydrophobicContact CD1-CG 4.48Å; Y77-L81 HydrophobicContact CE1-CD1 3.43Å; Y77-L81 VanDerWaalsContact CE1-CD1 3.43Å; Y77-L81 HydrophobicContact CE1-CG 4.11Å; Y77-L81 PolarHBondContact O-N 2.95Å; E78-L81 PolarHBondContact O-N 3.29Å; L81-K83 VanDerWaalsContact C-N 3.29Å; L81-K83 PolarHBondContact O-N 3.43Å; L81-A84 CarbonylContact O-C 3.58Å; L81-A84 WeakPolarHBondContact O-CA 3.37Å; L81-A84 WeakPolarHBondContact O-CB 3.43Å; L81-A84 PolarHBondContact O-N 2.9Å; L81-Q85 WeakPolarHBondContact O-CG 3.46Å; L81-Q85 PolarHBondContact O-N 3.05Å
82D86.6Confident80.5Confident82 Ų8286.8 Ų86.844%0.43945%0.451SS..Hα-helixtrans-57.7-42.4177.4175.678.7000111.6E78 A84 Q85 N86E78-D82 WeakPolarHBondContact O-CB 3.45Å; E78-D82 PolarHBondContact O-N 2.85Å; D82-A84 PolarHBondContact O-N 3.39Å; D82-Q85 PolarHBondContact O-N 2.89Å; D82-N86 WeakPolarHBondContact O-CB 3.36Å; D82-N86 PolarHBondContact O-N 3.32Å; D82-N86 PolarHBondContact O-ND2 3.2Å; D82-N86 PolarHBondContact OD1-ND2 2.69Å; D82-N86 PolarHBondContact OD2-ND2 2.77Å
83K88.1Confident78.6Confident117 Ų11794.4 Ų94.451%0.50949%0.487SS..Hα-helixtrans-65-20174-173.4170.3-173.5168.30114.1Y79 L81Y79-K83 HydrophobicContact CE1-CD 3.86Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 2.99Å; Y79-K83 PolarHBondContact OH-NZ 3.3Å; L81-K83 VanDerWaalsContact C-N 3.29Å; L81-K83 PolarHBondContact O-N 3.43Å
84A86.3Confident76.5Confident53 Ų5399.8 Ų99.844%0.43851%0.512SS..Hα-helixtrans-85.4-46.6170.400000111.3L80 L81 D82 R87 E88L80-A84 PolarHBondContact O-N 3.12Å; L81-A84 CarbonylContact O-C 3.58Å; L81-A84 WeakPolarHBondContact O-CA 3.37Å; L81-A84 WeakPolarHBondContact O-CB 3.43Å; L81-A84 PolarHBondContact O-N 2.9Å; D82-A84 PolarHBondContact O-N 3.39Å; A84-R87 WeakPolarHBondContact O-CA 3.28Å; A84-R87 WeakPolarHBondContact O-CB 3.35Å; A84-R87 PolarHBondContact O-N 2.82Å; A84-E88 PolarHBondContact O-N 2.73Å
85Q81.8Confident74.7Confident122 Ų122101.9 Ų101.957%0.5752%0.524SS*.Hα-helixtrans-65.2-45-178.1-67179.6-95.400112.4L81 D82 R87 E88L81-Q85 WeakPolarHBondContact O-CG 3.46Å; L81-Q85 PolarHBondContact O-N 3.05Å; D82-Q85 PolarHBondContact O-N 2.89Å; Q85-R87 PolarHBondContact O-N 2.63Å; Q85-R87 VanDerWaalsContact O-N 3.08Å; Q85-E88 PolarHBondContact O-N 2.78Å
86N73.3Confident73.2Confident92 Ų92101.8 Ų101.849%0.49254%0.535SS..THydrogen-bonded Turntrans-61.9-16.5172.4-78.9-54.1000113D82D82-N86 WeakPolarHBondContact O-CB 3.36Å; D82-N86 PolarHBondContact O-N 3.32Å; D82-N86 PolarHBondContact O-ND2 3.2Å; D82-N86 PolarHBondContact OD1-ND2 2.69Å; D82-N86 PolarHBondContact OD2-ND2 2.77Å
87R68.3Low71.6Confident225 Ų225107.7 Ų107.785%0.84956%0.561SS**THydrogen-bonded Turntrans-84-17.8174.9-124.1-176.9-177.3-146.2-0.9113.7A84 Q85 G89A84-R87 WeakPolarHBondContact O-CA 3.28Å; A84-R87 WeakPolarHBondContact O-CB 3.35Å; A84-R87 PolarHBondContact O-N 2.82Å; Q85-R87 PolarHBondContact O-N 2.63Å; Q85-R87 VanDerWaalsContact O-N 3.08Å; R87-G89 VanDerWaalsContact C-N 3.27Å
88E61.6Low70Confident150 Ų150112.2 Ų112.270%0.70158%0.578SS**THydrogen-bonded Turntrans-87.53.5174.9-62-170.8149.400112.3A84 Q85 L90A84-E88 PolarHBondContact O-N 2.73Å; Q85-E88 PolarHBondContact O-N 2.78Å; E88-L90 HydrophobicContact CB-CD1 4.29Å; E88-L90 PolarHBondContact O-N 3.25Å
89G54.8Low68.7Low71 Ų71114.4 Ų114.473%0.73259%0.592SS**THydrogen-bonded Turntrans73.210.3174.700000114.6R87R87-G89 VanDerWaalsContact C-N 3.27Å
90L53.2Low67.4Low112 Ų112118 Ų11859%0.58661%0.605SS**  trans-87.5127.5-176.2-71.4164.8000111.5E88E88-L90 HydrophobicContact CB-CD1 4.29Å; E88-L90 PolarHBondContact O-N 3.25Å
91S46.8Very low66.5Low57 Ų57121.9 Ų121.940%0.39963%0.633SS.*  trans51.459.7159.864.70000117.9E93 E94S91-E93 PolarHBondContact O-N 3.49Å; S91-E93 VanDerWaalsContact O-N 3.15Å; S91-E94 PolarHBondContact O-N 3.47Å; S91-E94 VanDerWaalsContact O-N 3.11Å
92A54.5Low65.8Low105 Ų105122.4 Ų122.487%0.86866%0.655SS**THydrogen-bonded Turntrans-60.2-9.3149.500000112.6
93E55.2Low65.5Low185 Ų185124.4 Ų124.486%0.86466%0.662SS**THydrogen-bonded Turntrans-85.7-8.8172.7-60.6-177.2126.300114.2S91 D95S91-E93 PolarHBondContact O-N 3.49Å; S91-E93 VanDerWaalsContact O-N 3.15Å; E93-D95 PolarHBondContact O-N 3.03Å
94E50.6Low65.2Low112 Ų112126.2 Ų126.252%0.52368%0.675SS.*SBendtrans-76.2107.6-178.8-101.6-162.4-159.700112.6S91 R98S91-E94 PolarHBondContact O-N 3.47Å; S91-E94 VanDerWaalsContact O-N 3.11Å; E94-R98 IonicContact OE2-CZ 2.7Å; E94-R98 IonicContact OE2-NH1 2.66Å; E94-R98 PolarHBondContact OE2-NH1 2.86Å; E94-R98 IonicContact OE2-NH2 2.78Å; E94-R98 PolarHBondContact OE2-NH2 3.44Å
95D56.5Low65.1Low96 Ų96126.2 Ų126.251%0.51367%0.668SS.*  trans39.780.6167.7-73.6-43.6000115.7E93 K97 R98E93-D95 PolarHBondContact O-N 3.03Å; D95-K97 PolarHBondContact O-N 3.27Å; D95-R98 HydrophobicContact CB-CG 3.39Å; D95-R98 PolarHBondContact O-N 2.93Å; D95-R98 IonicContact OD2-CZ 2.68Å; D95-R98 IonicContact OD2-NE 3.73Å; D95-R98 PolarHBondContact OD2-NE 3.2Å; D95-R98 IonicContact OD2-NH2 2.7Å; D95-R98 PolarHBondContact OD2-NH2 3.4Å
96P61.6Low65.4Low131 Ų131125.7 Ų125.785%0.85168%0.675SS**THydrogen-bonded Turntrans-61.2-2.417924.5-35000115.2
97K61.1Low66.1Low168 Ų168124.9 Ų124.973%0.7367%0.671SS**THydrogen-bonded Turntrans-142.358173.6-65.6-173.3179.5172.70113.5D95 L99D95-K97 PolarHBondContact O-N 3.27Å; K97-L99 PolarHBondContact O-N 3.06Å
98R62.1Low67.2Low155 Ų155117 Ų11759%0.58565%0.648SS**  trans-60.8-22163.5-67.2-164.7165.8143.23.4113.4E94 D95 R100E94-R98 IonicContact OE2-CZ 2.7Å; E94-R98 IonicContact OE2-NH1 2.66Å; E94-R98 PolarHBondContact OE2-NH1 2.86Å; E94-R98 IonicContact OE2-NH2 2.78Å; E94-R98 PolarHBondContact OE2-NH2 3.44Å; D95-R98 HydrophobicContact CB-CG 3.39Å; D95-R98 PolarHBondContact O-N 2.93Å; D95-R98 IonicContact OD2-CZ 2.68Å; D95-R98 IonicContact OD2-NE 3.73Å; D95-R98 PolarHBondContact OD2-NE 3.2Å; D95-R98 IonicContact OD2-NH2 2.7Å; D95-R98 PolarHBondContact OD2-NH2 3.4Å; R98-R100 PolarHBondContact O-N 3.47Å
99L66.2Low68.7Low157 Ų157111.2 Ų111.282%0.82262%0.622SS**SBendtrans-69.7107.2166.5-70.8171.2000110.5K97 P101K97-L99 PolarHBondContact O-N 3.06Å; L99-P101 WeakPolarHBondContact O-CD 3.4Å
100R63.7Low70.5Confident183 Ų183109.4 Ų109.469%0.69160%0.596SS**  trans-62.6113175.1-70.8172.7172.8-179.1-0.6111.3R98 G102 E103R98-R100 PolarHBondContact O-N 3.47Å; R100-G102 PolarHBondContact O-N 2.87Å; R100-E103 HydrophobicContact CB-CB 4.3Å; R100-E103 WeakPolarHBondContact CD-OE2 3.43Å; R100-E103 IonicContact CZ-OE2 3.59Å; R100-E103 IonicContact NE-OE2 2.74Å; R100-E103 IonicContact NH1-OE1 2.71Å; R100-E103 IonicContact NH1-OE2 2.79Å; R100-E103 PolarHBondContact NH1-OE2 3.37Å
101P73.5Confident72.3Confident117 Ų117109.4 Ų109.476%0.7659%0.592SS**THydrogen-bonded Turntrans-69.3126.8-179.2-18.333.3000110.8L99L99-P101 WeakPolarHBondContact O-CD 3.4Å
102G75.4Confident74.6Confident81 Ų81111.2 Ų111.284%0.83560%0.602SS**THydrogen-bonded Turntrans95.2-3.6177.400000115.9R100R100-G102 PolarHBondContact O-N 2.87Å
103E81.3Confident76.5Confident123 Ų123109.7 Ų109.758%0.57559%0.589SS**PPolyproline II helixtrans-74.5136.9169.5-164.6161.1170.800110.1R100 D105R100-E103 HydrophobicContact CB-CB 4.3Å; R100-E103 WeakPolarHBondContact CD-OE2 3.43Å; R100-E103 IonicContact CZ-OE2 3.59Å; R100-E103 IonicContact NE-OE2 2.74Å; R100-E103 IonicContact NH1-OE1 2.71Å; R100-E103 IonicContact NH1-OE2 2.79Å; R100-E103 PolarHBondContact NH1-OE2 3.37Å; E103-D105 PolarHBondContact O-N 2.97Å
104I82.1Confident78.3Confident156 Ų156111.8 Ų111.880%0.859%0.589SS**PPolyproline II helixtrans-73.8125.5176.4-58.2174.4000107.8
105D84Confident80.4Confident53 Ų53112.3 Ų112.328%0.28360%0.602SS.*PPolyproline II helixtrans-47.2124.1173.7176.18000110.7E103 N107 P108 K111E103-D105 PolarHBondContact O-N 2.97Å; D105-N107 VanDerWaalsContact C-N 3.33Å; D105-N107 PolarHBondContact OD1-N 3.39Å; D105-P108 WeakPolarHBondContact O-CD 3.34Å; D105-P108 WeakPolarHBondContact OD2-CA 3.26Å; D105-K111 VanDerWaalsContact OD2-CD 3.28Å; D105-K111 WeakPolarHBondContact OD2-CD 3.41Å; D105-K111 WeakPolarHBondContact OD2-CE 3.45Å
106P87.6Confident82.1Confident111 Ų111114.2 Ų114.272%0.72161%0.612SS**SBendtrans-72.1-24.3-179.728.2-35.4000113.5P108P106-P108 WeakPolarHBondContact O-CD 3.39Å
107N87.4Confident83.6Confident74 Ų74111 Ų11140%0.39659%0.592SS.*  trans-125.651.7-174.8-70.1-10.4000112.6N71 D105 E109 T110N71-N107 PolarHBondContact OD1-ND2 3.44Å; N71-N107 VanDerWaalsContact OD1-ND2 3.1Å; D105-N107 VanDerWaalsContact C-N 3.33Å; D105-N107 PolarHBondContact OD1-N 3.39Å; N107-E109 PolarHBondContact O-N 3.05Å; N107-T110 HydrophobicContact CB-CG2 4.04Å; N107-T110 WeakPolarHBondContact O-CB 3.31Å; N107-T110 WeakPolarHBondContact O-CG2 3.37Å; N107-T110 PolarHBondContact O-N 3.41Å; N107-T110 PolarHBondContact O-OG1 3.18Å
108P91.7Very high85.1Confident59 Ų59110.7 Ų110.738%0.38360%0.604SS.*THydrogen-bonded Turntrans-64-17.4-175.130.8-36.6000112.6D105 P106 T110D105-P108 WeakPolarHBondContact O-CD 3.34Å; D105-P108 WeakPolarHBondContact OD2-CA 3.26Å; P106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-T110 PolarHBondContact O-N 3.23Å
109E92.7Very high86.5Confident30 Ų30110.4 Ų110.414%0.1461%0.613CS.*THydrogen-bonded Turntrans-66-9.7173.8-68.988.8173.700115Q22 A25 R26 N107Q22-E109 VanDerWaalsContact CA-OE1 3.25Å; Q22-E109 WeakPolarHBondContact CA-OE1 3.43Å; Q22-E109 WeakPolarHBondContact CB-OE1 3.48Å; Q22-E109 WeakPolarHBondContact CG-OE1 3.45Å; A25-E109 HydrophobicContact CB-CB 4.09Å; A25-E109 HydrophobicContact CB-CG 3.85Å; R26-E109 HydrophobicContact CB-CB 4.13Å; R26-E109 HydrophobicContact CB-CG 3.82Å; R26-E109 VanDerWaalsContact CD-O 3.29Å; R26-E109 WeakPolarHBondContact CD-O 3.46Å; R26-E109 VanDerWaalsContact NH1-C 3.3Å; R26-E109 PolarHBondContact NH1-O 3.37Å; N107-E109 PolarHBondContact O-N 3.05Å
110T92.9Very high87.7Confident32 Ų32106.3 Ų106.320%0.19659%0.591CS.*SBendtrans-92.1-33.9179.962.30000113.8W30 N71 N107 P108W30-T110 WeakPolarHBondContact CZ3-O 3.33Å; N71-T110 HydrophobicContact CB-CG2 3.6Å; N71-T110 VanDerWaalsContact CG-CG2 3.41Å; N107-T110 HydrophobicContact CB-CG2 4.04Å; N107-T110 WeakPolarHBondContact O-CB 3.31Å; N107-T110 WeakPolarHBondContact O-CG2 3.37Å; N107-T110 PolarHBondContact O-N 3.41Å; N107-T110 PolarHBondContact O-OG1 3.18Å; P108-T110 PolarHBondContact O-N 3.23Å
111K92Very high89Confident113 Ų113101 Ų10149%0.49158%0.577SS.*SBendtrans-73.6157.9-171.8-64.1-173.5-177-65.90112.4R26 D105R26-K111 PolarHBondContact NH1-O 2.95Å; R26-K111 PolarHBondContact NH2-O 3.41Å; D105-K111 VanDerWaalsContact OD2-CD 3.28Å; D105-K111 WeakPolarHBondContact OD2-CD 3.41Å; D105-K111 WeakPolarHBondContact OD2-CE 3.45Å
112P94.4Very high90Very high95 Ų95103.8 Ų103.862%0.61758%0.579SS**PPolyproline II helixtrans-50.9154.3170.9-27.735.8000113.1W30W30-P112 HydrophobicContact CH2-CG 4.02Å; W30-P112 HydrophobicContact CZ2-CB 4.18Å; W30-P112 HydrophobicContact CZ2-CG 4.13Å
113A94.3Very high90.9Very high72 Ų72102.9 Ų102.960%0.59556%0.555SS**PPolyproline II helixtrans-69.7147.4169.900000109.5
114R93.2Very high91.5Very high230 Ų230100.3 Ų100.387%0.86854%0.543SS*.PPolyproline II helixtrans-70.1143.1164.2-63.6-176178.9-157.8-2.1107.9
115P95Very high92.1Very high123 Ų12397.4 Ų97.480%0.79953%0.529SS*.PPolyproline II helixtrans-59.8144.6164.7-2032.9000110.2
116D91.7Very high92.6Very high135 Ų135101 Ų10172%0.72254%0.544SS*.PPolyproline II helixtrans-65.2140.7174.9-46.7-31.4000109
117P93.3Very high92.9Very high65 Ų6597.5 Ų97.542%0.42252%0.519SS..PPolyproline II helixtrans-68.7153.4177.431.5-36.3000111.2D119 M120P117-D119 WeakPolarHBondContact CB-O 3.42Å; P117-D119 WeakPolarHBondContact CG-O 3.48Å; P117-D119 PolarHBondContact O-N 3.32Å; P117-M120 HydrophobicContact CG-CG 4.31Å
118V91.5Very high93.3Very high161 Ų16197.3 Ų97.398%0.97652%0.517SS*.SBendtrans-64.6-35.2178.4-179.80000111.3
119D93.2Very high93.4Very high148 Ų14897.6 Ų97.679%0.79152%0.52SS*.SBendtrans-108.2107.7171.2-168.524000107.1P117P117-D119 WeakPolarHBondContact CB-O 3.42Å; P117-D119 WeakPolarHBondContact CG-O 3.48Å; P117-D119 PolarHBondContact O-N 3.32Å
120M90Very high93.5Very high71 Ų7199.9 Ų99.935%0.3553%0.531SS..  trans-87140.7-179.6-67.2-177.9-59.500109.7P117 E124 L125 L128P117-M120 HydrophobicContact CG-CG 4.31Å; M120-E124 HydrophobicContact CB-CB 4.42Å; M120-L125 HydrophobicContact CE-CD1 4.29Å; M120-L128 HydrophobicContact CE-CD1 4.14Å; M120-L128 HydrophobicContact SD-CD1 3.91Å
121D92.8Very high93.7Very high73 Ų7399.2 Ų99.239%0.3953%0.529SS..  trans-68.9160176.569.110.2000112.3D123 E124 L125D121-D123 PolarHBondContact O-N 2.8Å; D121-D123 VanDerWaalsContact OD1-CB 3.31Å; D121-D123 WeakPolarHBondContact OD1-CB 3.31Å; D121-E124 PolarHBondContact O-N 3.19Å; D121-E124 VanDerWaalsContact O-N 3.07Å; D121-E124 VanDerWaalsContact OD1-CB 3.31Å; D121-E124 WeakPolarHBondContact OD1-CB 3.27Å; D121-E124 VanDerWaalsContact OD1-CG 3.31Å; D121-E124 WeakPolarHBondContact OD1-CG 3.33Å; D121-E124 PolarHBondContact OD1-N 2.83Å; D121-L125 PolarHBondContact O-N 3.2Å
122E94.6Very high93.9Very high175 Ų175102 Ų10282%0.81854%0.536SS*.Hα-helixtrans-56.6-36179-172.7-178.6-171.200111.3L125 E126E122-L125 PolarHBondContact O-N 2.99Å; E122-E126 WeakPolarHBondContact O-CB 3.43Å; E122-E126 PolarHBondContact O-N 3.36Å
123D93.8Very high94Very high62 Ų62100.3 Ų100.333%0.33253%0.53SS..Hα-helixtrans-55.3-49.6172.6-95.4-56000112.4H16 R17 D121 M127H16-D123 WeakPolarHBondContact CE1-CB 3.49Å; H16-D123 IonicContact CE1-OD1 4Å; H16-D123 WeakPolarHBondContact NE2-CA 3.31Å; H16-D123 WeakPolarHBondContact NE2-CB 3.25Å; H16-D123 PolarHBondContact NE2-O 3.47Å; H16-D123 IonicContact NE2-OD1 2.62Å; H16-D123 PolarHBondContact NE2-OD1 3.19Å; R17-D123 IonicContact CZ-OD1 3.72Å; R17-D123 IonicContact CZ-OD2 3.58Å; R17-D123 IonicContact NH1-OD2 3.86Å; R17-D123 PolarHBondContact NH1-OD2 3.46Å; R17-D123 VanDerWaalsContact NH2-CG 3.34Å; R17-D123 IonicContact NH2-OD1 3.07Å; R17-D123 IonicContact NH2-OD2 2.68Å; R17-D123 PolarHBondContact NH2-OD2 3.4Å; D121-D123 PolarHBondContact O-N 2.8Å; D121-D123 VanDerWaalsContact OD1-CB 3.31Å; D121-D123 WeakPolarHBondContact OD1-CB 3.31Å; D123-M127 WeakPolarHBondContact O-CB 3.19Å; D123-M127 PolarHBondContact O-N 3.4Å
124E94.1Very high94Very high69 Ų69101 Ų10132%0.32252%0.518SS..Hα-helixtrans-72.7-37.9179.5-76.8-177.7170.800111.7H16 M120 D121 M127 L128H16-E124 PolarHBondContact NE2-N 3.39Å; M120-E124 HydrophobicContact CB-CB 4.42Å; D121-E124 PolarHBondContact O-N 3.19Å; D121-E124 VanDerWaalsContact O-N 3.07Å; D121-E124 VanDerWaalsContact OD1-CB 3.31Å; D121-E124 WeakPolarHBondContact OD1-CB 3.27Å; D121-E124 VanDerWaalsContact OD1-CG 3.31Å; D121-E124 WeakPolarHBondContact OD1-CG 3.33Å; D121-E124 PolarHBondContact OD1-N 2.83Å; E124-M127 PolarHBondContact O-N 3.11Å; E124-L128 WeakPolarHBondContact O-CB 3.31Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.32Å; E124-L128 PolarHBondContact O-N 2.92Å
125L93.9Very high94Very high95 Ų9594.2 Ų94.250%0.49750%0.498SS..Hα-helixtrans-68.2-41.3176.9-172.459.8000112.3M120 D121 E122 L128 S129M120-L125 HydrophobicContact CE-CD1 4.29Å; D121-L125 PolarHBondContact O-N 3.2Å; E122-L125 PolarHBondContact O-N 2.99Å; L125-L128 PolarHBondContact O-N 2.83Å; L125-S129 WeakPolarHBondContact O-CB 3.44Å; L125-S129 PolarHBondContact O-N 3.34Å
126E94.3Very high94.1Very high129 Ų12992.1 Ų92.160%0.60349%0.491SS*.Hα-helixtrans-64.7-43.1172.3-163.1-164.1-167.200110.7E122 L128 S129 E130E122-E126 WeakPolarHBondContact O-CB 3.43Å; E122-E126 PolarHBondContact O-N 3.36Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 3.23Å; E126-S129 PolarHBondContact O-N 3.01Å; E126-S129 PolarHBondContact O-OG 3.38Å; E126-E130 WeakPolarHBondContact O-CB 3.4Å; E126-E130 PolarHBondContact O-N 2.93Å
127M94.1Very high94.2Very high37 Ų3789.2 Ų89.218%0.18248%0.475CS..Hα-helixtrans-56.9-43.5175.9-163.4-156.4-48.300111.4L15 D123 E124 A131L15-M127 HydrophobicContact CB-SD 4.5Å; L15-M127 HydrophobicContact CD2-SD 3.68Å; D123-M127 WeakPolarHBondContact O-CB 3.19Å; D123-M127 PolarHBondContact O-N 3.4Å; E124-M127 PolarHBondContact O-N 3.11Å; M127-A131 WeakPolarHBondContact O-CB 3.39Å; M127-A131 PolarHBondContact O-N 3Å
128L95.2Very high94.3Very high70 Ų7091.9 Ų91.937%0.36649%0.491SS..Hα-helixtrans-69.5-38.9177.4-72173.5000112.5M120 E124 L125 E126 R132M120-L128 HydrophobicContact CE-CD1 4.14Å; M120-L128 HydrophobicContact SD-CD1 3.91Å; E124-L128 WeakPolarHBondContact O-CB 3.31Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.32Å; E124-L128 PolarHBondContact O-N 2.92Å; L125-L128 PolarHBondContact O-N 2.83Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 3.23Å; L128-R132 WeakPolarHBondContact O-CB 3.35Å; L128-R132 WeakPolarHBondContact O-CD 3.5Å; L128-R132 WeakPolarHBondContact O-CG 3.25Å; L128-R132 PolarHBondContact O-N 3.36Å
129S95.4Very high94.3Very high64 Ų6489 Ų8945%0.44847%0.467SS..Hα-helixtrans-68.3-45178.287.40000111.3L125 E126 R132 A133L125-S129 WeakPolarHBondContact O-CB 3.44Å; L125-S129 PolarHBondContact O-N 3.34Å; E126-S129 PolarHBondContact O-N 3.01Å; E126-S129 PolarHBondContact O-OG 3.38Å; S129-R132 PolarHBondContact O-N 2.99Å; S129-A133 WeakPolarHBondContact O-CB 3.33Å; S129-A133 PolarHBondContact O-N 3.47Å
130E94.8Very high94.3Very high78 Ų7884.3 Ų84.336%0.36445%0.453SS..Hα-helixtrans-63.7-43.8174.1177.5167.8-12400110.8E126 R132 A133 R134E126-E130 WeakPolarHBondContact O-CB 3.4Å; E126-E130 PolarHBondContact O-N 2.93Å; E130-R132 VanDerWaalsContact C-N 3.34Å; E130-R132 PolarHBondContact O-N 2.9Å; E130-A133 PolarHBondContact O-N 2.97Å; E130-R134 HydrophobicContact CG-CG 3.85Å; E130-R134 WeakPolarHBondContact O-CB 3.33Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.22Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NE 3.68Å; E130-R134 PolarHBondContact OE1-NE 3.46Å; E130-R134 IonicContact OE1-NH2 3.21Å; E130-R134 PolarHBondContact OE1-NH2 3.24Å; E130-R134 IonicContact OE2-CZ 2.7Å; E130-R134 IonicContact OE2-NE 2.69Å; E130-R134 PolarHBondContact OE2-NE 3.44Å; E130-R134 IonicContact OE2-NH1 2.66Å; E130-R134 IonicContact OE2-NH2 3.75Å; E130-R134 PolarHBondContact OE2-NH2 3.33Å
131A96Very high94.5Very high18 Ų1890.2 Ų90.215%0.14948%0.477CS..Hα-helixtrans-57.8-47.3176.200000111L14 M127 A133 R134 L135L14-A131 HydrophobicContact CD2-CB 4.09Å; L14-A131 HydrophobicContact CG-CB 4.4Å; M127-A131 WeakPolarHBondContact O-CB 3.39Å; M127-A131 PolarHBondContact O-N 3Å; A131-A133 PolarHBondContact O-N 3.45Å; A131-R134 PolarHBondContact O-N 3.17Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 WeakPolarHBondContact O-CG 3.1Å; A131-L135 PolarHBondContact O-N 3.36Å
132R96.5Very high94.6Very high171 Ų17195.5 Ų95.565%0.64550%0.496SS*.Hα-helixtrans-57.1-49.3174.5-71.4166.1-171.2-179.15.8111.2L128 S129 E130 L135 A136L128-R132 WeakPolarHBondContact O-CB 3.35Å; L128-R132 WeakPolarHBondContact O-CD 3.5Å; L128-R132 WeakPolarHBondContact O-CG 3.25Å; L128-R132 PolarHBondContact O-N 3.36Å; S129-R132 PolarHBondContact O-N 2.99Å; E130-R132 VanDerWaalsContact C-N 3.34Å; E130-R132 PolarHBondContact O-N 2.9Å; R132-L135 PolarHBondContact O-N 2.98Å; R132-A136 WeakPolarHBondContact O-CB 3.5Å; R132-A136 PolarHBondContact O-N 3.24Å
133A95.8Very high94.7Very high60 Ų6089.4 Ų89.450%0.49648%0.476SS..Hα-helixtrans-63.6-43.6-179.800000113.2S129 E130 A131 A136 N137S129-A133 WeakPolarHBondContact O-CB 3.33Å; S129-A133 PolarHBondContact O-N 3.47Å; E130-A133 PolarHBondContact O-N 2.97Å; A131-A133 PolarHBondContact O-N 3.45Å; A133-A136 PolarHBondContact O-N 2.97Å; A133-N137 WeakPolarHBondContact O-CB 3.48Å; A133-N137 PolarHBondContact O-N 3Å
134R94.5Very high94.7Very high88 Ų8891.4 Ų91.433%0.33248%0.482SS..Hα-helixtrans-70.8-28.3176.5-69.8-175.3176.2-170.317.6112.5K2 S13 L14 E130 A131K2-R134 PolarHBondContact NZ-O 2.7Å; S13-R134 PolarHBondContact O-NH1 2.77Å; L14-R134 HydrophobicContact CD1-CB 3.98Å; L14-R134 VanDerWaalsContact CD1-CD 3.48Å; L14-R134 HydrophobicContact CD1-CG 4.4Å; L14-R134 HydrophobicContact CG-CB 4.44Å; E130-R134 HydrophobicContact CG-CG 3.85Å; E130-R134 WeakPolarHBondContact O-CB 3.33Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.22Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NE 3.68Å; E130-R134 PolarHBondContact OE1-NE 3.46Å; E130-R134 IonicContact OE1-NH2 3.21Å; E130-R134 PolarHBondContact OE1-NH2 3.24Å; E130-R134 IonicContact OE2-CZ 2.7Å; E130-R134 IonicContact OE2-NE 2.69Å; E130-R134 PolarHBondContact OE2-NE 3.44Å; E130-R134 IonicContact OE2-NH1 2.66Å; E130-R134 IonicContact OE2-NH2 3.75Å; E130-R134 PolarHBondContact OE2-NH2 3.33Å; A131-R134 PolarHBondContact O-N 3.17Å
135L94.6Very high94.7Very high86 Ų8696 Ų9645%0.4550%0.496SS..Hα-helixtrans-74.8-40.8172.1-72.7176.7000112.1K2 L14 A131 R132K2-L135 HydrophobicContact CB-CD2 3.8Å; K2-L135 HydrophobicContact CD-CD2 3.6Å; K2-L135 HydrophobicContact CG-CD2 4.31Å; K2-L135 PolarHBondContact NZ-O 3.31Å; L14-L135 HydrophobicContact CD2-CD2 4.3Å; L14-L135 HydrophobicContact CD2-CG 4.2Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 WeakPolarHBondContact O-CG 3.1Å; A131-L135 PolarHBondContact O-N 3.36Å; R132-L135 PolarHBondContact O-N 2.98Å
136A95.4Very high94.8Very high79 Ų7998.3 Ų98.365%0.65350%0.502SS*.Hα-helixtrans-66.8-38.5174.800000112.8R132 A133 T138R132-A136 WeakPolarHBondContact O-CB 3.5Å; R132-A136 PolarHBondContact O-N 3.24Å; A133-A136 PolarHBondContact O-N 2.97Å; A136-T138 PolarHBondContact O-N 2.61Å
137N95.2Very high94.7Very high74 Ų7494.1 Ų94.140%0.39649%0.49SS..  trans-69.4117.4-176.5-173.219000112.9K2 A133 Q139 K144K2-N137 PolarHBondContact NZ-O 2.92Å; A133-N137 WeakPolarHBondContact O-CB 3.48Å; A133-N137 PolarHBondContact O-N 3Å; N137-Q139 PolarHBondContact OD1-N 3.43Å; N137-Q139 PolarHBondContact OD1-O 3.49Å; N137-K144 PolarHBondContact ND2-NZ 3.44Å; N137-K144 WeakPolarHBondContact OD1-CE 3.43Å; N137-K144 PolarHBondContact OD1-NZ 2.87Å; N137-K144 VanDerWaalsContact OD1-NZ 3.15Å
138T94.6Very high94.7Very high122 Ų122100.7 Ų100.775%0.74851%0.512SS*.  trans-113.2-12.8173.556.30000113.4A136A136-T138 PolarHBondContact O-N 2.61Å
139Q92.4Very high94.7Very high100 Ų100102.1 Ų102.147%0.46752%0.517SS..  trans-93.2118.6-170.2-65.6-170.817.200113N137 A143 K144N137-Q139 PolarHBondContact OD1-N 3.43Å; N137-Q139 PolarHBondContact OD1-O 3.49Å; Q139-A143 HydrophobicContact CB-CB 4.14Å; Q139-A143 HydrophobicContact CG-CB 4.46Å; Q139-K144 HydrophobicContact CB-CD 4.49Å; Q139-K144 HydrophobicContact CB-CG 3.78Å; Q139-K144 WeakPolarHBondContact O-CE 3.44Å
140G93.4Very high94.7Very high49 Ų49107.3 Ų107.351%0.50553%0.527SS..  trans-69.7165171.400000113.8K142 A143 K144G140-K142 VanDerWaalsContact C-N 3.25Å; G140-K142 PolarHBondContact O-N 2.93Å; G140-K142 VanDerWaalsContact O-N 3.08Å; G140-A143 WeakPolarHBondContact O-CB 3.36Å; G140-A143 PolarHBondContact O-N 3.16Å; G140-K144 PolarHBondContact O-N 2.86Å; G140-K144 VanDerWaalsContact O-N 3.15Å
141K94.1Very high94.6Very high196 Ų196109.9 Ų109.985%0.85254%0.539SS*.Hα-helixtrans-49.6-39.9-175.4-65.8-175.1178.5-177.40113.7R145K141-R145 VanDerWaalsContact O-CB 3.32Å; K141-R145 WeakPolarHBondContact O-CB 3.4Å; K141-R145 PolarHBondContact O-N 3.4Å
142K95.2Very high94.5Very high183 Ų183113.8 Ų113.880%0.79656%0.557SS**Hα-helixtrans-67.4-35.2178.5-170.2173.7-177.9176.90113.3G140 K146G140-K142 VanDerWaalsContact C-N 3.25Å; G140-K142 PolarHBondContact O-N 2.93Å; G140-K142 VanDerWaalsContact O-N 3.08Å; K142-K146 WeakPolarHBondContact O-CB 3.31Å; K142-K146 PolarHBondContact O-N 3.03Å
143A95.2Very high94.3Very high48 Ų48110.2 Ų110.240%0.39755%0.548SS..Hα-helixtrans-71.8-49.7176.700000111Q139 G140 R145 K146 A147Q139-A143 HydrophobicContact CB-CB 4.14Å; Q139-A143 HydrophobicContact CG-CB 4.46Å; G140-A143 WeakPolarHBondContact O-CB 3.36Å; G140-A143 PolarHBondContact O-N 3.16Å; A143-R145 VanDerWaalsContact C-N 3.29Å; A143-R145 PolarHBondContact O-N 3.04Å; A143-K146 PolarHBondContact O-N 3.3Å; A143-K146 VanDerWaalsContact O-N 3.15Å; A143-A147 PolarHBondContact O-N 3.33Å
144K94.5Very high94Very high104 Ų104111.6 Ų111.645%0.45255%0.546SS..Hα-helixtrans-59.3-38.7176-63.5-163.6178.5-167.20112.1N137 Q139 G140 R148N137-K144 PolarHBondContact ND2-NZ 3.44Å; N137-K144 WeakPolarHBondContact OD1-CE 3.43Å; N137-K144 PolarHBondContact OD1-NZ 2.87Å; N137-K144 VanDerWaalsContact OD1-NZ 3.15Å; Q139-K144 HydrophobicContact CB-CD 4.49Å; Q139-K144 HydrophobicContact CB-CG 3.78Å; Q139-K144 WeakPolarHBondContact O-CE 3.44Å; G140-K144 PolarHBondContact O-N 2.86Å; G140-K144 VanDerWaalsContact O-N 3.15Å; K144-R148 PolarHBondContact O-N 2.83Å; K144-R148 VanDerWaalsContact O-N 3.14Å
145R93.6Very high94Very high165 Ų165109.7 Ų109.762%0.62355%0.549SS*.Hα-helixtrans-63.5-50.8172.8-166.1-167.5-68.2168.1-5.2111.8K141 A143 A147 R148 E149K141-R145 VanDerWaalsContact O-CB 3.32Å; K141-R145 WeakPolarHBondContact O-CB 3.4Å; K141-R145 PolarHBondContact O-N 3.4Å; A143-R145 VanDerWaalsContact C-N 3.29Å; A143-R145 PolarHBondContact O-N 3.04Å; R145-A147 VanDerWaalsContact C-N 3.25Å; R145-A147 PolarHBondContact O-N 3.42Å; R145-R148 CarbonylContact O-C 3.59Å; R145-R148 PolarHBondContact O-N 3Å; R145-E149 WeakPolarHBondContact CD-OE1 3.32Å; R145-E149 HydrophobicContact CG-CG 4.26Å; R145-E149 VanDerWaalsContact CG-OE1 3.24Å; R145-E149 WeakPolarHBondContact CG-OE1 3.12Å; R145-E149 WeakPolarHBondContact O-CG 3.49Å; R145-E149 PolarHBondContact O-N 3.41Å
146K96.6Very high93.9Very high143 Ų143112.8 Ų112.862%0.62256%0.555SS**Hα-helixtrans-62.5-30.5180-169.7172.5-178.9179.50113.2K142 A143 E149 R150K142-K146 WeakPolarHBondContact O-CB 3.31Å; K142-K146 PolarHBondContact O-N 3.03Å; A143-K146 PolarHBondContact O-N 3.3Å; A143-K146 VanDerWaalsContact O-N 3.15Å; K146-E149 WeakPolarHBondContact CA-OE2 3.17Å; K146-R150 WeakPolarHBondContact O-CB 3.25Å; K146-R150 PolarHBondContact O-N 2.99Å
147A92.7Very high93.6Very high41 Ų41116.7 Ų116.734%0.33955%0.552SS.*Hα-helixtrans-66.1-47.417100000111.8A143 R145 R150 Q151A143-A147 PolarHBondContact O-N 3.33Å; R145-A147 VanDerWaalsContact C-N 3.25Å; R145-A147 PolarHBondContact O-N 3.42Å; A147-R150 WeakPolarHBondContact O-CB 3.4Å; A147-R150 PolarHBondContact O-N 3.08Å; A147-Q151 WeakPolarHBondContact O-CG 3.24Å; A147-Q151 PolarHBondContact O-N 3.02Å
148R94Very high93.3Very high175 Ų175119 Ų11966%0.6656%0.562SS**Hα-helixtrans-63.9-41.4175.4-168.7-179.2-66.1-160-2.7112.4K144 R145 R150 Q151 L152K144-R148 PolarHBondContact O-N 2.83Å; K144-R148 VanDerWaalsContact O-N 3.14Å; R145-R148 CarbonylContact O-C 3.59Å; R145-R148 PolarHBondContact O-N 3Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.24Å; R148-Q151 PolarHBondContact O-N 2.88Å; R148-L152 HydrophobicContact CG-CD1 4.18Å; R148-L152 WeakPolarHBondContact O-CB 3.35Å; R148-L152 VanDerWaalsContact O-CG 3.31Å; R148-L152 WeakPolarHBondContact O-CG 3.31Å; R148-L152 PolarHBondContact O-N 3.2Å
149E94.7Very high93.1Very high101 Ų101115.4 Ų115.447%0.47255%0.545SS..Hα-helixtrans-59.4-42.7173.6-72164176.900111.3R145 K146 L152 E153R145-E149 WeakPolarHBondContact CD-OE1 3.32Å; R145-E149 HydrophobicContact CG-CG 4.26Å; R145-E149 VanDerWaalsContact CG-OE1 3.24Å; R145-E149 WeakPolarHBondContact CG-OE1 3.12Å; R145-E149 WeakPolarHBondContact O-CG 3.49Å; R145-E149 PolarHBondContact O-N 3.41Å; K146-E149 WeakPolarHBondContact CA-OE2 3.17Å; E149-L152 PolarHBondContact O-N 3.3Å; E149-E153 WeakPolarHBondContact O-CB 3.35Å; E149-E153 PolarHBondContact O-N 3.35Å
150R95.3Very high92.9Very high172 Ų172114.8 Ų114.865%0.64954%0.543SS*.Hα-helixtrans-62.5-44.6173.5175.8-174-78.3171.7-9.7112K146 A147 R148 E153 I154K146-R150 WeakPolarHBondContact O-CB 3.25Å; K146-R150 PolarHBondContact O-N 2.99Å; A147-R150 WeakPolarHBondContact O-CB 3.4Å; A147-R150 PolarHBondContact O-N 3.08Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.24Å; R150-E153 PolarHBondContact O-N 3.22Å; R150-I154 HydrophobicContact CG-CD1 3.93Å; R150-I154 VanDerWaalsContact O-CG1 3.29Å; R150-I154 WeakPolarHBondContact O-CG1 3.42Å; R150-I154 PolarHBondContact O-N 2.82Å
151Q92.1Very high92.6Very high133 Ų133117.8 Ų117.862%0.62155%0.545SS*.Hα-helixtrans-61.8-45.7176.8-72.9169.6-43.100111.6A147 R148 E153 I154 A155A147-Q151 WeakPolarHBondContact O-CG 3.24Å; A147-Q151 PolarHBondContact O-N 3.02Å; R148-Q151 PolarHBondContact O-N 2.88Å; Q151-E153 VanDerWaalsContact C-N 3.34Å; Q151-E153 PolarHBondContact O-N 2.98Å; Q151-I154 PolarHBondContact O-N 2.92Å; Q151-A155 WeakPolarHBondContact O-CB 3.38Å; Q151-A155 PolarHBondContact O-N 3.38Å
152L94.2Very high92.4Very high100 Ų100110.2 Ų110.252%0.52451%0.513SS..Hα-helixtrans-64.6-35.4177.2-70.7170.2000112.6R148 E149 R156R148-L152 HydrophobicContact CG-CD1 4.18Å; R148-L152 WeakPolarHBondContact O-CB 3.35Å; R148-L152 VanDerWaalsContact O-CG 3.31Å; R148-L152 WeakPolarHBondContact O-CG 3.31Å; R148-L152 PolarHBondContact O-N 3.2Å; E149-L152 PolarHBondContact O-N 3.3Å; L152-R156 WeakPolarHBondContact O-CB 3.22Å; L152-R156 PolarHBondContact O-N 3.24Å
153E91.7Very high92.2Very high95 Ų95107.5 Ų107.544%0.44450%0.501SS..Hα-helixtrans-69.8-39.5174-177.255-152.400112E149 R150 Q151 R156 R157E149-E153 WeakPolarHBondContact O-CB 3.35Å; E149-E153 PolarHBondContact O-N 3.35Å; R150-E153 PolarHBondContact O-N 3.22Å; Q151-E153 VanDerWaalsContact C-N 3.34Å; Q151-E153 PolarHBondContact O-N 2.98Å; E153-R156 PolarHBondContact O-N 3.02Å; E153-R156 IonicContact OE2-CZ 2.93Å; E153-R156 IonicContact OE2-NH1 3.89Å; E153-R156 PolarHBondContact OE2-NH1 2.79Å; E153-R157 VanDerWaalsContact O-CB 3.24Å; E153-R157 WeakPolarHBondContact O-CB 3.41Å; E153-R157 PolarHBondContact O-N 3.47Å
154I90.7Very high91.8Very high89 Ų89109.5 Ų109.546%0.45650%0.499SS..Hα-helixtrans-62.7-46.4173-67.5163.5000110.3R150 Q151 R156 R157 M158R150-I154 HydrophobicContact CG-CD1 3.93Å; R150-I154 VanDerWaalsContact O-CG1 3.29Å; R150-I154 WeakPolarHBondContact O-CG1 3.42Å; R150-I154 PolarHBondContact O-N 2.82Å; Q151-I154 PolarHBondContact O-N 2.92Å; I154-R156 PolarHBondContact O-N 2.84Å; I154-R157 PolarHBondContact O-N 3.48Å; I154-M158 HydrophobicContact CG2-CE 4.18Å; I154-M158 HydrophobicContact CG2-CG 4.48Å; I154-M158 HydrophobicContact CG2-SD 4.36Å; I154-M158 WeakPolarHBondContact O-CG 3.11Å; I154-M158 PolarHBondContact O-N 3.12Å
155A93.8Very high91.5Very high48 Ų48114 Ų11440%0.39751%0.513SS..Hα-helixtrans-60.3-46.1176.200000112.4Q151 R157 M158 A159Q151-A155 WeakPolarHBondContact O-CB 3.38Å; Q151-A155 PolarHBondContact O-N 3.38Å; A155-R157 PolarHBondContact O-N 2.85Å; A155-M158 PolarHBondContact O-N 3.3Å; A155-A159 PolarHBondContact O-N 2.97Å
156R92.3Very high91.3Very high152 Ų152109.6 Ų109.657%0.57450%0.499SS*.Hα-helixtrans-58.5-44.7174.3-178.9-175.8-64.7124.32.2111.8L152 E153 I154 M160L152-R156 WeakPolarHBondContact O-CB 3.22Å; L152-R156 PolarHBondContact O-N 3.24Å; E153-R156 PolarHBondContact O-N 3.02Å; E153-R156 IonicContact OE2-CZ 2.93Å; E153-R156 IonicContact OE2-NH1 3.89Å; E153-R156 PolarHBondContact OE2-NH1 2.79Å; I154-R156 PolarHBondContact O-N 2.84Å; R156-M160 VanDerWaalsContact O-CB 3.31Å; R156-M160 WeakPolarHBondContact O-CB 3.49Å; R156-M160 PolarHBondContact O-N 3.23Å
157R89.4Confident90.9Very high160 Ų160103.9 Ų103.960%0.60448%0.475SS*.Hα-helixtrans-64.4-40.6177.1-174.1179.2-180-161.5-0.3111.7E153 I154 A155 M161E153-R157 VanDerWaalsContact O-CB 3.24Å; E153-R157 WeakPolarHBondContact O-CB 3.41Å; E153-R157 PolarHBondContact O-N 3.47Å; I154-R157 PolarHBondContact O-N 3.48Å; A155-R157 PolarHBondContact O-N 2.85Å; R157-M161 HydrophobicContact CG-CG 4.47Å; R157-M161 VanDerWaalsContact O-CB 3.26Å; R157-M161 WeakPolarHBondContact O-CB 3.18Å; R157-M161 WeakPolarHBondContact O-CG 3.23Å; R157-M161 PolarHBondContact O-N 3.41Å
158M88.4Confident90.7Very high123 Ų123109.2 Ų109.261%0.60649%0.487SS*.Hα-helixtrans-64.4-50.2175.8-71-170.3-55.700111.7I154 A155 M160 M161 Q162I154-M158 HydrophobicContact CG2-CE 4.18Å; I154-M158 HydrophobicContact CG2-CG 4.48Å; I154-M158 HydrophobicContact CG2-SD 4.36Å; I154-M158 WeakPolarHBondContact O-CG 3.11Å; I154-M158 PolarHBondContact O-N 3.12Å; A155-M158 PolarHBondContact O-N 3.3Å; M158-M160 VanDerWaalsContact C-N 3.34Å; M158-M160 PolarHBondContact O-N 2.69Å; M158-M161 PolarHBondContact O-N 3.47Å; M158-M161 VanDerWaalsContact O-N 3.15Å; M158-Q162 WeakPolarHBondContact O-CB 3.43Å; M158-Q162 PolarHBondContact O-N 3.33Å
159A91.3Very high90.5Very high47 Ų47105.2 Ų105.239%0.38849%0.491SS..Hα-helixtrans-61-39.8177.100000112.4A155 K163A155-A159 PolarHBondContact O-N 2.97Å; A159-K163 WeakPolarHBondContact O-CB 3.46Å; A159-K163 PolarHBondContact O-N 2.61Å
160M88.5Confident90.3Very high87 Ų87103 Ų10343%0.42949%0.489SS..Hα-helixtrans-65.2-41.8173.9-174-177.4-178.700112.1R156 M158 R164 L176R156-M160 VanDerWaalsContact O-CB 3.31Å; R156-M160 WeakPolarHBondContact O-CB 3.49Å; R156-M160 PolarHBondContact O-N 3.23Å; M158-M160 VanDerWaalsContact C-N 3.34Å; M158-M160 PolarHBondContact O-N 2.69Å; M160-R164 VanDerWaalsContact O-CB 3.23Å; M160-R164 WeakPolarHBondContact O-CB 3.4Å; M160-R164 PolarHBondContact O-N 2.79Å; M160-L176 HydrophobicContact CE-CB 4.22Å
161M87.1Confident89.8Confident112 Ų11298 Ų9855%0.55249%0.491SS*.Hα-helixtrans-67.2-38.6178-78.1-72.2-70.400112.5R157 M158 R164 R165R157-M161 HydrophobicContact CG-CG 4.47Å; R157-M161 VanDerWaalsContact O-CB 3.26Å; R157-M161 WeakPolarHBondContact O-CB 3.18Å; R157-M161 WeakPolarHBondContact O-CG 3.23Å; R157-M161 PolarHBondContact O-N 3.41Å; M158-M161 PolarHBondContact O-N 3.47Å; M158-M161 VanDerWaalsContact O-N 3.15Å; M161-R164 PolarHBondContact O-N 2.88Å; M161-R165 WeakPolarHBondContact O-CB 3.45Å; M161-R165 PolarHBondContact O-N 3.21Å
162Q89.8Confident89.2Confident36 Ų3695.2 Ų95.217%0.16848%0.481CS..Hα-helixtrans-65.4-52.5172.9171.9-138.7-600110.8M158 R164 R165 E166 N496 F498M158-Q162 WeakPolarHBondContact O-CB 3.43Å; M158-Q162 PolarHBondContact O-N 3.33Å; Q162-R164 PolarHBondContact O-N 3.04Å; Q162-R165 CarbonylContact O-C 3.52Å; Q162-R165 WeakPolarHBondContact O-CA 3.42Å; Q162-R165 VanDerWaalsContact O-CB 3.32Å; Q162-R165 WeakPolarHBondContact O-CB 3.41Å; Q162-R165 PolarHBondContact O-N 3.23Å; Q162-E166 WeakPolarHBondContact CG-OE1 3.49Å; Q162-E166 PolarHBondContact NE2-OE1 3.36Å; Q162-E166 WeakPolarHBondContact O-CG 3.48Å; Q162-E166 PolarHBondContact O-N 3.32Å; Q162-N496 PolarHBondContact NE2-OD1 3.48Å; Q162-F498 VanDerWaalsContact CD-CZ 3.47Å; Q162-F498 HydrophobicContact CG-CE1 4.3Å
163K89.6Confident88.1Confident126 Ų12693.2 Ų93.255%0.54848%0.484SS..Hα-helixtrans-55.5-38175.6-177.7169.3-177.4169.20111.9A159 L167A159-K163 WeakPolarHBondContact O-CB 3.46Å; A159-K163 PolarHBondContact O-N 2.61Å; K163-L167 HydrophobicContact CG-CD1 3.99Å; K163-L167 WeakPolarHBondContact O-CB 3.46Å; K163-L167 WeakPolarHBondContact O-CD1 3.49Å; K163-L167 VanDerWaalsContact O-CG 3.23Å; K163-L167 WeakPolarHBondContact O-CG 3.45Å; K163-L167 PolarHBondContact O-N 2.91Å
164R87.3Confident86.7Confident91 Ų9190.7 Ų90.734%0.34348%0.475SS..Hα-helixtrans-68.7-34.1173.2-167.3-176.5-169.3-155.36.1112.9M160 M161 Q162 R168M160-R164 VanDerWaalsContact O-CB 3.23Å; M160-R164 WeakPolarHBondContact O-CB 3.4Å; M160-R164 PolarHBondContact O-N 2.79Å; M161-R164 PolarHBondContact O-N 2.88Å; Q162-R164 PolarHBondContact O-N 3.04Å; R164-R168 VanDerWaalsContact O-CB 3.28Å; R164-R168 WeakPolarHBondContact O-CB 3.42Å; R164-R168 VanDerWaalsContact O-CG 3.23Å; R164-R168 WeakPolarHBondContact O-CG 3.4Å; R164-R168 PolarHBondContact O-N 3.15Å
165R88Confident85.3Confident198 Ų19896.4 Ų96.475%0.74750%0.497SS*.Hα-helixtrans-68.2-44.6173.2175.8-176.2-80.2-178-6.9111.1M161 Q162 R168 A169M161-R165 WeakPolarHBondContact O-CB 3.45Å; M161-R165 PolarHBondContact O-N 3.21Å; Q162-R165 CarbonylContact O-C 3.52Å; Q162-R165 WeakPolarHBondContact O-CA 3.42Å; Q162-R165 VanDerWaalsContact O-CB 3.32Å; Q162-R165 WeakPolarHBondContact O-CB 3.41Å; Q162-R165 PolarHBondContact O-N 3.23Å; R165-R168 PolarHBondContact O-N 3.09Å; R165-A169 VanDerWaalsContact O-CB 3.32Å; R165-A169 WeakPolarHBondContact O-CB 3.25Å; R165-A169 PolarHBondContact O-N 3.01Å
166E89.5Confident83.5Confident72 Ų7297.7 Ų97.734%0.33650%0.497SS..Hα-helixtrans-62-49.4176.9-70.7163.7175.700111.2Q162 R168 A169 A170Q162-E166 WeakPolarHBondContact CG-OE1 3.49Å; Q162-E166 PolarHBondContact NE2-OE1 3.36Å; Q162-E166 WeakPolarHBondContact O-CG 3.48Å; Q162-E166 PolarHBondContact O-N 3.32Å; E166-R168 VanDerWaalsContact C-N 3.34Å; E166-R168 PolarHBondContact O-N 3.13Å; E166-A169 PolarHBondContact O-N 2.95Å; E166-A170 WeakPolarHBondContact O-CB 3.36Å; E166-A170 PolarHBondContact O-N 2.82Å
167L88.6Confident81.8Confident23 Ų2393.2 Ų93.212%0.1250%0.498CS..Hα-helixtrans-59.8-43.4175.1-70.9163.6000111.5K163 A170 G171 L172 T174 L176 L491K163-L167 HydrophobicContact CG-CD1 3.99Å; K163-L167 WeakPolarHBondContact O-CB 3.46Å; K163-L167 WeakPolarHBondContact O-CD1 3.49Å; K163-L167 VanDerWaalsContact O-CG 3.23Å; K163-L167 WeakPolarHBondContact O-CG 3.45Å; K163-L167 PolarHBondContact O-N 2.91Å; L167-A170 CarbonylContact O-C 3.59Å; L167-A170 PolarHBondContact O-N 3.24Å; L167-G171 PolarHBondContact O-N 3.13Å; L167-L172 CarbonylContact C-O 3.59Å; L167-L172 HydrophobicContact CB-CB 4.22Å; L167-L172 HydrophobicContact CD2-CB 4.05Å; L167-L172 HydrophobicContact CD2-CD1 3.79Å; L167-L172 CarbonylContact O-C 3.54Å; L167-L172 WeakPolarHBondContact O-CA 3.25Å; L167-L172 WeakPolarHBondContact O-CB 3.48Å; L167-L172 PolarHBondContact O-N 2.87Å; L167-T174 HydrophobicContact CD1-CG2 4Å; L167-L176 HydrophobicContact CD1-CD1 4.22Å; L167-L491 HydrophobicContact CD2-CD2 4.28Å
168R89Confident80.1Confident154 Ų15492.1 Ų92.158%0.58150%0.503SS*.Hα-helixtrans-65.6-36.7175.2-78.6178.4167.2-140.2-9.7113.5R164 R165 E166 A170 G171R164-R168 VanDerWaalsContact O-CB 3.28Å; R164-R168 WeakPolarHBondContact O-CB 3.42Å; R164-R168 VanDerWaalsContact O-CG 3.23Å; R164-R168 WeakPolarHBondContact O-CG 3.4Å; R164-R168 PolarHBondContact O-N 3.15Å; R165-R168 PolarHBondContact O-N 3.09Å; E166-R168 VanDerWaalsContact C-N 3.34Å; E166-R168 PolarHBondContact O-N 3.13Å; R168-A170 VanDerWaalsContact C-N 3.32Å; R168-G171 PolarHBondContact O-N 3.35Å; R168-G171 VanDerWaalsContact O-N 3.12Å
169A88.4Confident78.5Confident90 Ų9090.3 Ų90.374%0.74451%0.508SS*.Hα-helixtrans-67.7-33.6175.200000111.8R165 E166 G171R165-A169 VanDerWaalsContact O-CB 3.32Å; R165-A169 WeakPolarHBondContact O-CB 3.25Å; R165-A169 PolarHBondContact O-N 3.01Å; E166-A169 PolarHBondContact O-N 2.95Å; A169-G171 PolarHBondContact O-N 2.72Å
170A90.5Very high76.9Confident54 Ų5493.9 Ų93.945%0.44653%0.527SS..THydrogen-bonded Turntrans-78.910.1170.600000113.9E166 L167 R168 L172E166-A170 WeakPolarHBondContact O-CB 3.36Å; E166-A170 PolarHBondContact O-N 2.82Å; L167-A170 CarbonylContact O-C 3.59Å; L167-A170 PolarHBondContact O-N 3.24Å; R168-A170 VanDerWaalsContact C-N 3.32Å; A170-L172 HydrophobicContact CB-CD1 4.3Å; A170-L172 PolarHBondContact O-N 2.92Å; A170-L172 VanDerWaalsContact O-N 3.11Å
171G86.4Confident75.3Confident67 Ų6794.1 Ų94.169%0.69153%0.526SS*.THydrogen-bonded Turntrans71.6-3.7-17800000115.5L167 R168 A169 G173L167-G171 PolarHBondContact O-N 3.13Å; R168-G171 PolarHBondContact O-N 3.35Å; R168-G171 VanDerWaalsContact O-N 3.12Å; A169-G171 PolarHBondContact O-N 2.72Å; G171-G173 PolarHBondContact O-N 2.87Å
172L78.7Confident73.8Confident76 Ų7695.1 Ų95.140%0.39854%0.538SS..  trans-75.386.7178.7-69.7162.2000110.2L167 A170 T174 L491L167-L172 CarbonylContact C-O 3.59Å; L167-L172 HydrophobicContact CB-CB 4.22Å; L167-L172 HydrophobicContact CD2-CB 4.05Å; L167-L172 HydrophobicContact CD2-CD1 3.79Å; L167-L172 CarbonylContact O-C 3.54Å; L167-L172 WeakPolarHBondContact O-CA 3.25Å; L167-L172 WeakPolarHBondContact O-CB 3.48Å; L167-L172 PolarHBondContact O-N 2.87Å; A170-L172 HydrophobicContact CB-CD1 4.3Å; A170-L172 PolarHBondContact O-N 2.92Å; A170-L172 VanDerWaalsContact O-N 3.11Å; L172-T174 PolarHBondContact O-N 3.03Å; L172-L491 HydrophobicContact CD1-CD2 4.14Å
173G71.1Confident72.5Confident57 Ų57102 Ų10259%0.58857%0.568SS**  trans-62.668.8178.300000114.1G171 F175G171-G173 PolarHBondContact O-N 2.87Å; G173-F175 PolarHBondContact O-N 2.96Å
174T61.9Low71.4Confident43 Ų43102.6 Ų102.626%0.26459%0.585SS.*  trans-75.4111.4-176.742.70000112.5L167 L172 L176L167-T174 HydrophobicContact CD1-CG2 4Å; L172-T174 PolarHBondContact O-N 3.03Å; T174-L176 PolarHBondContact O-N 3.19Å
175F61.3Low70.4Confident208 Ų208101.5 Ų101.591%0.91259%0.59SS**  trans-71.263.7154.3-66.5-88.1000109.7G173 G177G173-F175 PolarHBondContact O-N 2.96Å; F175-G177 PolarHBondContact O-N 2.87Å
176L57.2Low69.8Low76 Ų7695.5 Ų95.540%0.39857%0.571SS.*  trans-6685.8162.9-92.1161.7000107.5M160 L167 T174M160-L176 HydrophobicContact CE-CB 4.22Å; L167-L176 HydrophobicContact CD1-CD1 4.22Å; T174-L176 PolarHBondContact O-N 3.19Å
177G55.3Low69.1Low58 Ų5894.6 Ų94.660%0.59857%0.569SS**PPolyproline II helixtrans-58.5142-178.100000111.4F175 A179F175-G177 PolarHBondContact O-N 2.87Å; G177-A179 PolarHBondContact O-N 3.39Å
178L55.1Low68.9Low136 Ų136100.9 Ų100.971%0.71259%0.592SS**PPolyproline II helixtrans-55.5137.2160.3-69.4160.6000107.6
179A54.4Low68.6Low85 Ų85100.5 Ų100.570%0.70260%0.602SS**PPolyproline II helixtrans-51.9140.9-176.100000110.8G177 K181G177-A179 PolarHBondContact O-N 3.39Å; A179-K181 PolarHBondContact O-N 2.97Å; A179-K181 VanDerWaalsContact O-N 3.08Å
180P56.3Low68.5Low122 Ų122100.7 Ų100.779%0.79260%0.598SS**PPolyproline II helixtrans-53.4119.4-16919.6-32.7000110.9T182P180-T182 PolarHBondContact O-N 3.22Å
181K55.9Low68.3Low92 Ų92102.7 Ų102.740%0.460%0.598SS.*  trans-60.5106.4-175-70.3-179.4173.5-173.20109.7A179 K183 C185 M186 D187A179-K181 PolarHBondContact O-N 2.97Å; A179-K181 VanDerWaalsContact O-N 3.08Å; K181-K183 PolarHBondContact O-N 2.96Å; K181-C185 HydrophobicContact CD-CB 3.99Å; K181-C185 VanDerWaalsContact CD-O 3.26Å; K181-C185 WeakPolarHBondContact CD-O 3.37Å; K181-C185 PolarHBondContact NZ-O 2.85Å; K181-M186 PolarHBondContact NZ-O 3.1Å; K181-M186 VanDerWaalsContact NZ-O 3.1Å; K181-D187 WeakPolarHBondContact CE-OD1 3.34Å; K181-D187 VanDerWaalsContact NZ-CA 3.35Å; K181-D187 VanDerWaalsContact NZ-CB 3.34Å; K181-D187 IonicContact NZ-OD1 2.66Å; K181-D187 PolarHBondContact NZ-OD1 2.89Å
182T56.3Low68.4Low133 Ų133104.9 Ų104.982%0.81659%0.593SS**SBendtrans-75.211817045.80000108.4P180P180-T182 PolarHBondContact O-N 3.22Å
183K62.6Low68.7Low180 Ų180103.9 Ų103.978%0.78359%0.59SS**SBendtrans83.6148.3-162.9-54.3173.4-179.5-1760114K181 C185K181-K183 PolarHBondContact O-N 2.96Å; K183-C185 VanDerWaalsContact C-N 3.33Å; K183-C185 PolarHBondContact O-N 3.46Å
184P65Low69.6Low140 Ų140109.4 Ų109.491%0.90960%0.599SS**  trans-65.992.2171.728.7-35.3000109.8
185C66.6Low70.9Confident67 Ų67112.7 Ų112.745%0.45361%0.611SS.*  trans-105.7108.9177.4166.10000107.2K181 K183K181-C185 HydrophobicContact CD-CB 3.99Å; K181-C185 VanDerWaalsContact CD-O 3.26Å; K181-C185 WeakPolarHBondContact CD-O 3.37Å; K181-C185 PolarHBondContact NZ-O 2.85Å; K183-C185 VanDerWaalsContact C-N 3.33Å; K183-C185 PolarHBondContact O-N 3.46Å
186M75.2Confident72.4Confident72 Ų72112.2 Ų112.236%0.35561%0.608SS.*  trans-41.2140.6175.5-67.5164.8-71.100110.6K181 Y188 E191 F194K181-M186 PolarHBondContact NZ-O 3.1Å; K181-M186 VanDerWaalsContact NZ-O 3.1Å; M186-Y188 HydrophobicContact CB-CD1 4.23Å; M186-Y188 HydrophobicContact CB-CE1 4.05Å; M186-Y188 HydrophobicContact CE-CE1 4.45Å; M186-Y188 PolarHBondContact O-N 3.25Å; M186-E191 WeakPolarHBondContact CA-OE1 3.44Å; M186-E191 WeakPolarHBondContact CB-OE1 3.23Å; M186-F194 HydrophobicContact CE-CE2 3.84Å; M186-F194 HydrophobicContact CE-CZ 3.7Å; M186-F194 HydrophobicContact SD-CE1 4.23Å; M186-F194 HydrophobicContact SD-CE2 3.94Å; M186-F194 HydrophobicContact SD-CZ 3.71Å
187D75.9Confident73.9Confident54 Ų54114.5 Ų114.529%0.28962%0.617SS.*  trans-97.696.1177.4-15659.4000110.4K181 N189 S190 E191K181-D187 WeakPolarHBondContact CE-OD1 3.34Å; K181-D187 VanDerWaalsContact NZ-CA 3.35Å; K181-D187 VanDerWaalsContact NZ-CB 3.34Å; K181-D187 IonicContact NZ-OD1 2.66Å; K181-D187 PolarHBondContact NZ-OD1 2.89Å; D187-N189 PolarHBondContact O-N 3.14Å; D187-S190 PolarHBondContact O-N 3.02Å; D187-S190 PolarHBondContact O-OG 2.87Å; D187-E191 PolarHBondContact N-OE1 2.9Å; D187-E191 PolarHBondContact O-N 3.05Å
188Y83.1Confident75.6Confident154 Ų154116.4 Ų116.460%0.60462%0.619SS**THydrogen-bonded Turntrans-57.5-4.4-178.4-48.9-29.3000114.6M186 P193M186-Y188 HydrophobicContact CB-CD1 4.23Å; M186-Y188 HydrophobicContact CB-CE1 4.05Å; M186-Y188 HydrophobicContact CE-CE1 4.45Å; M186-Y188 PolarHBondContact O-N 3.25Å; Y188-P193 HydrophobicContact CD1-CB 4.12Å; Y188-P193 HydrophobicContact CD1-CG 3.5Å; Y188-P193 HydrophobicContact CE1-CB 4.42Å; Y188-P193 HydrophobicContact CE1-CG 4.25Å; Y188-P193 HydrophobicContact CG-CG 4.1Å
189N83.6Confident77.1Confident146 Ų146116 Ų11678%0.78162%0.624SS**THydrogen-bonded Turntrans-101.8-18174.7-64-17000113.7D187D187-N189 PolarHBondContact O-N 3.14Å
190S85.8Confident78.7Confident95 Ų95122 Ų12266%0.66464%0.635SS**THydrogen-bonded Turntrans-105.4-27.2-178.869.60000113.8D187D187-S190 PolarHBondContact O-N 3.02Å; D187-S190 PolarHBondContact O-OG 2.87Å
191E87.2Confident80.1Confident96 Ų96119 Ų11945%0.44963%0.626SS.*SBendtrans-133.5148.4-178.669.3-161.8156.100110.1M186 D187 P193M186-E191 WeakPolarHBondContact CA-OE1 3.44Å; M186-E191 WeakPolarHBondContact CB-OE1 3.23Å; D187-E191 PolarHBondContact N-OE1 2.9Å; D187-E191 PolarHBondContact O-N 3.05Å; E191-P193 VanDerWaalsContact O-CD 3.25Å; E191-P193 WeakPolarHBondContact O-CD 3.5Å
192I87.1Confident81.6Confident113 Ų113124.9 Ų124.958%0.57965%0.652SS**  trans-74.3115.6170.7-66.2173.4000107.3F194 E195I192-F194 PolarHBondContact O-N 3.46Å; I192-F194 VanDerWaalsContact O-N 3.14Å; I192-E195 HydrophobicContact CB-CB 3.94Å; I192-E195 HydrophobicContact CB-CG 4.12Å; I192-E195 HydrophobicContact CD1-CG 4.37Å; I192-E195 HydrophobicContact CG2-CB 3.86Å; I192-E195 HydrophobicContact CG2-CG 3.97Å; I192-E195 PolarHBondContact O-N 2.96Å
193P85.9Confident83Confident54 Ų54127.9 Ų127.935%0.35165%0.65SS.*THydrogen-bonded Turntrans-66.3119.3-173-22.235.9000110.9Y188 E191Y188-P193 HydrophobicContact CD1-CB 4.12Å; Y188-P193 HydrophobicContact CD1-CG 3.5Å; Y188-P193 HydrophobicContact CE1-CB 4.42Å; Y188-P193 HydrophobicContact CE1-CG 4.25Å; Y188-P193 HydrophobicContact CG-CG 4.1Å; E191-P193 VanDerWaalsContact O-CD 3.25Å; E191-P193 WeakPolarHBondContact O-CD 3.5Å
194F89Confident84.2Confident173 Ų173123.6 Ų123.676%0.75964%0.635SS**THydrogen-bonded Turntrans56.846-175-49.9-77.5000113.9M186 I192 K196M186-F194 HydrophobicContact CE-CE2 3.84Å; M186-F194 HydrophobicContact CE-CZ 3.7Å; M186-F194 HydrophobicContact SD-CE1 4.23Å; M186-F194 HydrophobicContact SD-CE2 3.94Å; M186-F194 HydrophobicContact SD-CZ 3.71Å; I192-F194 PolarHBondContact O-N 3.46Å; I192-F194 VanDerWaalsContact O-N 3.14Å; F194-K196 PolarHBondContact O-N 3.33Å; F194-K196 VanDerWaalsContact O-N 3.1Å
195E90.5Very high85.2Confident112 Ų112121.1 Ų121.152%0.52362%0.618SS.*  trans-52.4116.5177.8-164.4-177.8-168.500112.6I192 Q197I192-E195 HydrophobicContact CB-CB 3.94Å; I192-E195 HydrophobicContact CB-CG 4.12Å; I192-E195 HydrophobicContact CD1-CG 4.37Å; I192-E195 HydrophobicContact CG2-CB 3.86Å; I192-E195 HydrophobicContact CG2-CG 3.97Å; I192-E195 PolarHBondContact O-N 2.96Å; E195-Q197 PolarHBondContact OE1-NE2 2.99Å; E195-Q197 PolarHBondContact OE2-NE2 2.96Å
196K93.2Very high86Confident198 Ų198122 Ų12286%0.86163%0.625SS**  trans-111.2104.2173-174.8178-178.5178.90108.7F194F194-K196 PolarHBondContact O-N 3.33Å; F194-K196 VanDerWaalsContact O-N 3.1Å
197Q89Confident86.4Confident124 Ų124128.3 Ų128.358%0.57965%0.645SS**PPolyproline II helixtrans-56135.9178.8-64.6-60.2-25.900111E195E195-Q197 PolarHBondContact OE1-NE2 2.99Å; E195-Q197 PolarHBondContact OE2-NE2 2.96Å
198P89.1Confident86.8Confident99 Ų99132.5 Ų132.564%0.64366%0.662SS**PPolyproline II helixtrans-64.3141.8175.327.3-33.6000110.2K200P198-K200 PolarHBondContact O-N 3.34Å
199P88.3Confident86.8Confident126 Ų126133.7 Ų133.782%0.81867%0.671SS**PPolyproline II helixtrans-64.2131.617827.3-33.8000110.2G201P199-G201 PolarHBondContact O-N 2.94Å
200K86.2Confident86.7Confident211 Ų211132.2 Ų132.292%0.91767%0.669SS**PPolyproline II helixtrans-65.6118.2178.9-63.5-175.8179.7-176.50109.8P198P198-K200 PolarHBondContact O-N 3.34Å
201G86.9Confident86.5Confident59 Ų59136.7 Ų136.761%0.60868%0.679SS**  trans-82.8-170.5175.700000113.1P199 Y203P199-G201 PolarHBondContact O-N 2.94Å; G201-Y203 VanDerWaalsContact C-N 3.26Å; G201-Y203 PolarHBondContact O-N 3.41Å
202F87.1Confident86.3Confident217 Ų217139.5 Ų139.595%0.95270%0.696SS**SBendtrans-72.8-14.1176.8-60.8-62.8000114.3
203Y86.8Confident86Confident196 Ų196142.8 Ų142.877%0.76971%0.706SS**SBendtrans-98.6142.8-177.6-62.2-78000111.9G201 T205G201-Y203 VanDerWaalsContact C-N 3.26Å; G201-Y203 PolarHBondContact O-N 3.41Å; Y203-T205 PolarHBondContact O-N 3.23Å
204D86.7Confident85.7Confident90 Ų90146.4 Ų146.448%0.48173%0.73SS.*  trans-75.185.2175.2173.327.8000111.4S206 R207D204-S206 VanDerWaalsContact CG-OG 3.31Å; D204-S206 PolarHBondContact O-N 2.77Å; D204-S206 WeakPolarHBondContact OD1-CB 3.3Å; D204-S206 PolarHBondContact OD1-N 3.01Å; D204-S206 VanDerWaalsContact OD1-N 3.16Å; D204-S206 PolarHBondContact OD1-OG 3.3Å; D204-S206 PolarHBondContact OD2-OG 3.46Å; D204-R207 IonicContact OD2-CZ 3.86Å; D204-R207 IonicContact OD2-NE 3.46Å; D204-R207 PolarHBondContact OD2-NE 3.39Å; D204-R207 IonicContact OD2-NH2 3.09Å
205T85.3Confident85.1Confident87 Ų87144 Ų14453%0.53472%0.723SS.*G310 helixtrans-73.52.9177.263.90000113.7Y203 R207 E208Y203-T205 PolarHBondContact O-N 3.23Å; T205-R207 PolarHBondContact O-N 3.42Å; T205-R207 VanDerWaalsContact O-N 3.13Å; T205-E208 PolarHBondContact O-N 2.9Å; T205-E208 VanDerWaalsContact O-N 3.14Å
206S84.8Confident84.7Confident87 Ų87142.7 Ų142.761%0.60872%0.719SS**G310 helixtrans-64.6-18.4-179.371.70000113.8D204D204-S206 VanDerWaalsContact CG-OG 3.31Å; D204-S206 PolarHBondContact O-N 2.77Å; D204-S206 WeakPolarHBondContact OD1-CB 3.3Å; D204-S206 PolarHBondContact OD1-N 3.01Å; D204-S206 VanDerWaalsContact OD1-N 3.16Å; D204-S206 PolarHBondContact OD1-OG 3.3Å; D204-S206 PolarHBondContact OD2-OG 3.46Å
207R82.3Confident84.3Confident204 Ų204141.5 Ų141.577%0.7771%0.714SS**G310 helixtrans-90.9-18.6179.5-52.5-178.7-168.4-144.9-2.9112.9D204 T205 K209D204-R207 IonicContact OD2-CZ 3.86Å; D204-R207 IonicContact OD2-NE 3.46Å; D204-R207 PolarHBondContact OD2-NE 3.39Å; D204-R207 IonicContact OD2-NH2 3.09Å; T205-R207 PolarHBondContact O-N 3.42Å; T205-R207 VanDerWaalsContact O-N 3.13Å; R207-K209 PolarHBondContact O-N 3.27Å; R207-K209 VanDerWaalsContact O-N 3.16Å
208E85.9Confident84Confident141 Ų141144.8 Ų144.866%0.65973%0.729SS**  trans-8096.2-177.1-67176.7-16300110.3T205T205-E208 PolarHBondContact O-N 2.9Å; T205-E208 VanDerWaalsContact O-N 3.14Å
209K81.8Confident83.6Confident180 Ų180149.6 Ų149.678%0.78374%0.735SS**  trans-103.7118.7173.1-68179.1-178.51760109R207 E211R207-K209 PolarHBondContact O-N 3.27Å; R207-K209 VanDerWaalsContact O-N 3.16Å; K209-E211 PolarHBondContact O-N 2.92Å
210P81.4Confident83.4Confident115 Ų115146.6 Ų146.675%0.74771%0.711SS**  trans-66.7133.1178.427.3-33.8000110.3I212P210-I212 PolarHBondContact O-N 3.21Å
211E81.6Confident83.3Confident188 Ų188144 Ų14488%0.87970%0.696SS**  trans-67.7100.2174.4-67.8-173.4171.600110.2K209 K213K209-E211 PolarHBondContact O-N 2.92Å; E211-K213 PolarHBondContact O-N 2.95Å
212I83.2Confident83.1Confident155 Ų155146 Ų14680%0.79569%0.692SS**  trans-67.7102.6173.6-58.4173.8000107.6P210 P214P210-I212 PolarHBondContact O-N 3.21Å; I212-P214 VanDerWaalsContact O-N 3.16Å
213K80.3Confident82.8Confident182 Ų182138.5 Ų138.579%0.79167%0.666SS**  trans-53120.6176.5-67.7-174.1177.2-175.50109.4E211 M215E211-K213 PolarHBondContact O-N 2.95Å; K213-M215 PolarHBondContact O-N 2.91Å; K213-M215 VanDerWaalsContact O-N 3.11Å
214P79.6Confident82.5Confident131 Ų131132.4 Ų132.485%0.85165%0.647SS**  trans-64117.3-177.524.8-33.1000109.4I212 D216I212-P214 VanDerWaalsContact O-N 3.16Å; P214-D216 PolarHBondContact O-N 3.07Å
215M77.4Confident82.4Confident123 Ų123133.1 Ų133.161%0.60665%0.65SS**  trans-77.2115.5175-74.3-168.7171.200109.5K213 F217 L220K213-M215 PolarHBondContact O-N 2.91Å; K213-M215 VanDerWaalsContact O-N 3.11Å; M215-F217 HydrophobicContact CB-CE1 4.06Å; M215-F217 HydrophobicContact CB-CZ 4.11Å; M215-F217 WeakPolarHBondContact O-CD2 3.17Å; M215-F217 PolarHBondContact O-N 3.26Å; M215-L220 HydrophobicContact CB-CD2 4.3Å; M215-L220 HydrophobicContact CG-CD2 4.49Å; M215-L220 HydrophobicContact SD-CD2 3.88Å
216D81.4Confident82.3Confident84 Ų84135.5 Ų135.545%0.44966%0.655SS.*  trans-70.393.6170.4174.419.2000110.5P214 Q218 R219 L220P214-D216 PolarHBondContact O-N 3.07Å; D216-Q218 PolarHBondContact O-N 3.43Å; D216-Q218 VanDerWaalsContact O-N 3.15Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.27Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.3Å; D216-Q218 WeakPolarHBondContact OD1-CG 3.26Å; D216-Q218 PolarHBondContact OD1-N 2.73Å; D216-R219 PolarHBondContact O-N 2.86Å; D216-R219 WeakPolarHBondContact OD2-CB 3.41Å; D216-R219 PolarHBondContact OD2-N 2.79Å; D216-L220 WeakPolarHBondContact O-CB 3.22Å; D216-L220 PolarHBondContact O-N 3.31Å
217F85.3Confident82.1Confident173 Ų173139.1 Ų139.176%0.75966%0.66SS**THydrogen-bonded Turntrans-65.4-8.3176.5-58.4-67.1000114.2M215M215-F217 HydrophobicContact CB-CE1 4.06Å; M215-F217 HydrophobicContact CB-CZ 4.11Å; M215-F217 WeakPolarHBondContact O-CD2 3.17Å; M215-F217 PolarHBondContact O-N 3.26Å
218Q82.2Confident82.1Confident192 Ų192134 Ų13490%0.89764%0.644SS**THydrogen-bonded Turntrans-79.8-39.8172.9-50.4-17310.800111D216D216-Q218 PolarHBondContact O-N 3.43Å; D216-Q218 VanDerWaalsContact O-N 3.15Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.27Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.3Å; D216-Q218 WeakPolarHBondContact OD1-CG 3.26Å; D216-Q218 PolarHBondContact OD1-N 2.73Å
219R81.4Confident82.1Confident200 Ų200130.7 Ų130.776%0.75564%0.637SS**THydrogen-bonded Turntrans-92.9-27.7-179.9-172.6176.6178.1112.10.1114.5D216 R221D216-R219 PolarHBondContact O-N 2.86Å; D216-R219 WeakPolarHBondContact OD2-CB 3.41Å; D216-R219 PolarHBondContact OD2-N 2.79Å; R219-R221 PolarHBondContact O-N 2.83Å
220L83.9Confident82.3Confident63 Ų63128.9 Ų128.933%0.3363%0.63SS.*  trans-67115.2-169.6-173.968000113.5M215 D216 D224 I225M215-L220 HydrophobicContact CB-CD2 4.3Å; M215-L220 HydrophobicContact CG-CD2 4.49Å; M215-L220 HydrophobicContact SD-CD2 3.88Å; D216-L220 WeakPolarHBondContact O-CB 3.22Å; D216-L220 PolarHBondContact O-N 3.31Å; L220-D224 HydrophobicContact CD1-CB 4.28Å; L220-I225 HydrophobicContact CD1-CD1 4.4Å; L220-I225 HydrophobicContact CD1-CG1 3.77Å; L220-I225 HydrophobicContact CD2-CD1 3.96Å; L220-I225 HydrophobicContact CD2-CG1 4.14Å; L220-I225 HydrophobicContact CG-CD1 4.04Å; L220-I225 HydrophobicContact CG-CG1 3.97Å
221R85Confident82.4Confident157 Ų157129 Ų12959%0.59262%0.621SS**  trans-106.6163.4174.7-51.4166.2-61.6167.68.9111.4R219 S223 D224 I225R219-R221 PolarHBondContact O-N 2.83Å; R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.3Å; R221-D224 VanDerWaalsContact CB-OD2 3.26Å; R221-D224 WeakPolarHBondContact CB-OD2 3.43Å; R221-D224 IonicContact CZ-OD1 2.99Å; R221-D224 IonicContact CZ-OD2 2.83Å; R221-D224 PolarHBondContact N-OD2 3.42Å; R221-D224 IonicContact NE-OD1 3.6Å; R221-D224 PolarHBondContact NE-OD1 3.03Å; R221-D224 IonicContact NE-OD2 2.71Å; R221-D224 PolarHBondContact NE-OD2 2.84Å; R221-D224 IonicContact NH2-OD1 2.99Å; R221-D224 PolarHBondContact NH2-OD1 2.72Å; R221-D224 IonicContact NH2-OD2 3.41Å; R221-D224 WeakPolarHBondContact O-CB 3.14Å; R221-D224 PolarHBondContact O-N 2.71Å; R221-I225 PolarHBondContact O-N 3.38Å
222L82.2Confident82.7Confident102 Ų102124.5 Ų124.553%0.53460%0.6SS.*Hα-helixtrans-57.4-39.4177.2-174.563.3000112.6D224 I225 E226L222-D224 PolarHBondContact O-N 3.38Å; L222-I225 PolarHBondContact O-N 3.44Å; L222-E226 HydrophobicContact CD1-CG 3.97Å; L222-E226 HydrophobicContact CG-CG 4.19Å; L222-E226 PolarHBondContact O-N 3.25Å
223S79.4Confident82.9Confident58 Ų58122.3 Ų122.341%0.40658%0.582SS.*Hα-helixtrans-57.1-29.5174.353.70000114R221 K227R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.3Å; S223-K227 CarbonylContact O-C 3.51Å; S223-K227 VanDerWaalsContact O-CA 3.27Å; S223-K227 WeakPolarHBondContact O-CA 3.4Å; S223-K227 PolarHBondContact O-N 3.07Å
224D82.4Confident83.4Confident68 Ų68116.6 Ų116.636%0.36456%0.558SS.*Hα-helixtrans-87.8-23.8-172.8-46.4-27.4000110.2L220 R221 L222L220-D224 HydrophobicContact CD1-CB 4.28Å; R221-D224 VanDerWaalsContact CB-OD2 3.26Å; R221-D224 WeakPolarHBondContact CB-OD2 3.43Å; R221-D224 IonicContact CZ-OD1 2.99Å; R221-D224 IonicContact CZ-OD2 2.83Å; R221-D224 PolarHBondContact N-OD2 3.42Å; R221-D224 IonicContact NE-OD1 3.6Å; R221-D224 PolarHBondContact NE-OD1 3.03Å; R221-D224 IonicContact NE-OD2 2.71Å; R221-D224 PolarHBondContact NE-OD2 2.84Å; R221-D224 IonicContact NH2-OD1 2.99Å; R221-D224 PolarHBondContact NH2-OD1 2.72Å; R221-D224 IonicContact NH2-OD2 3.41Å; R221-D224 WeakPolarHBondContact O-CB 3.14Å; R221-D224 PolarHBondContact O-N 2.71Å; L222-D224 PolarHBondContact O-N 3.38Å
225I83Confident83.9Confident105 Ų105115 Ų11554%0.53854%0.538SS..Hα-helixtrans-81.7-51.6171.4-57.6169.5000110.6L220 R221 L222 K227L220-I225 HydrophobicContact CD1-CD1 4.4Å; L220-I225 HydrophobicContact CD1-CG1 3.77Å; L220-I225 HydrophobicContact CD2-CD1 3.96Å; L220-I225 HydrophobicContact CD2-CG1 4.14Å; L220-I225 HydrophobicContact CG-CD1 4.04Å; L220-I225 HydrophobicContact CG-CG1 3.97Å; R221-I225 PolarHBondContact O-N 3.38Å; L222-I225 PolarHBondContact O-N 3.44Å; I225-K227 PolarHBondContact O-N 3.33Å
226E83.2Confident84.4Confident137 Ų137113 Ų11364%0.6452%0.524SS*.Hα-helixtrans-72.2-18.1-177.8-66.8-175.5164.400112.8L222L222-E226 HydrophobicContact CD1-CG 3.97Å; L222-E226 HydrophobicContact CG-CG 4.19Å; L222-E226 PolarHBondContact O-N 3.25Å
227K81.5Confident85Confident164 Ų164113.5 Ų113.571%0.71352%0.523SS*.  trans65169.7-170.1-53.4172.4-177.1172.90112.2S223 I225 S229S223-K227 CarbonylContact O-C 3.51Å; S223-K227 VanDerWaalsContact O-CA 3.27Å; S223-K227 WeakPolarHBondContact O-CA 3.4Å; S223-K227 PolarHBondContact O-N 3.07Å; I225-K227 PolarHBondContact O-N 3.33Å; K227-S229 PolarHBondContact O-N 2.7Å
228E82.4Confident85.3Confident95 Ų95111.5 Ų111.544%0.44451%0.511SS..  trans-62.4128.3176-57.6-169.7139.300111.6R233 R236E228-R233 IonicContact OE2-NE 2.61Å; E228-R236 VanDerWaalsContact CD-NH1 3.3Å; E228-R236 IonicContact OE1-CZ 2.69Å; E228-R236 VanDerWaalsContact OE1-CZ 3.28Å; E228-R236 IonicContact OE1-NH1 3.78Å; E228-R236 PolarHBondContact OE1-NH1 2.8Å; E228-R236 VanDerWaalsContact OE1-NH1 3.09Å; E228-R236 IonicContact OE1-NH2 3.14Å; E228-R236 PolarHBondContact OE1-NH2 3.2Å; E228-R236 IonicContact OE2-CZ 3.21Å; E228-R236 IonicContact OE2-NH1 2.88Å; E228-R236 PolarHBondContact OE2-NH1 2.83Å; E228-R236 IonicContact OE2-NH2 3.43Å; E228-R236 PolarHBondContact OE2-NH2 2.74Å
229S85.6Confident85.8Confident72 Ų72109.4 Ų109.450%0.50350%0.499SS..  trans-59.1140.2171.6178.40000111.3K227 M231 E232 R233K227-S229 PolarHBondContact O-N 2.7Å; S229-M231 PolarHBondContact O-N 2.66Å; S229-M231 PolarHBondContact OG-N 2.69Å; S229-E232 PolarHBondContact O-N 3.11Å; S229-R233 PolarHBondContact O-N 3.15Å; S229-R233 VanDerWaalsContact O-N 3.09Å
230F86.9Confident86.4Confident143 Ų143106 Ų10663%0.62749%0.489SS*.Hα-helixtrans-50.9-42.5173.6177.4-91.3000111.9E232 R233 E234F230-E232 VanDerWaalsContact C-N 3.26Å; F230-E232 PolarHBondContact O-N 2.91Å; F230-R233 PolarHBondContact O-N 3.36Å; F230-E234 HydrophobicContact CE1-CB 4.22Å; F230-E234 HydrophobicContact CE1-CG 4.38Å; F230-E234 VanDerWaalsContact O-CB 3.29Å; F230-E234 WeakPolarHBondContact O-CB 3.24Å; F230-E234 PolarHBondContact O-N 2.69Å
231M82.8Confident86.9Confident116 Ų116106.8 Ų106.857%0.57149%0.494SS*.Hα-helixtrans-59.9-34.2178.7-63.9-60.8-53.600113.1S229 K235S229-M231 PolarHBondContact O-N 2.66Å; S229-M231 PolarHBondContact OG-N 2.69Å; M231-K235 WeakPolarHBondContact O-CB 3.47Å; M231-K235 PolarHBondContact O-N 2.82Å
232E86.8Confident87.3Confident95 Ų95102 Ų10244%0.44449%0.488SS..Hα-helixtrans-81.8-37.1-178.1-175.952.9-146.100111.3S229 F230 K235 R236S229-E232 PolarHBondContact O-N 3.11Å; F230-E232 VanDerWaalsContact C-N 3.26Å; F230-E232 PolarHBondContact O-N 2.91Å; E232-K235 PolarHBondContact O-N 3.45Å; E232-R236 VanDerWaalsContact O-CB 3.3Å; E232-R236 WeakPolarHBondContact O-CB 3.41Å; E232-R236 PolarHBondContact O-N 2.76Å
233R88.6Confident87.8Confident109 Ų109101.5 Ų101.541%0.41148%0.483SS..Hα-helixtrans-61.1-47.8169.3-175.4175.6-57.2156.79.1111.2E228 S229 F230 R236 E237E228-R233 IonicContact OE2-NE 2.61Å; S229-R233 PolarHBondContact O-N 3.15Å; S229-R233 VanDerWaalsContact O-N 3.09Å; F230-R233 PolarHBondContact O-N 3.36Å; R233-R236 WeakPolarHBondContact O-CB 3.32Å; R233-R236 PolarHBondContact O-N 3.44Å; R233-E237 VanDerWaalsContact CG-OE1 3.24Å; R233-E237 WeakPolarHBondContact CG-OE1 3.36Å; R233-E237 WeakPolarHBondContact O-CG 3.25Å; R233-E237 PolarHBondContact O-N 3.21Å
234E89.8Confident88.3Confident62 Ų62106.8 Ų106.829%0.2949%0.494SS..Hα-helixtrans-66-40.4178.2-166.4-149.8-122.400111.8F230 R236 E237 R238F230-E234 HydrophobicContact CE1-CB 4.22Å; F230-E234 HydrophobicContact CE1-CG 4.38Å; F230-E234 VanDerWaalsContact O-CB 3.29Å; F230-E234 WeakPolarHBondContact O-CB 3.24Å; F230-E234 PolarHBondContact O-N 2.69Å; E234-R236 VanDerWaalsContact C-N 3.26Å; E234-R236 PolarHBondContact O-N 2.81Å; E234-E237 PolarHBondContact O-N 3.34Å; E234-R238 HydrophobicContact CG-CG 4.47Å; E234-R238 VanDerWaalsContact O-CB 3.29Å; E234-R238 WeakPolarHBondContact O-CB 3.44Å; E234-R238 WeakPolarHBondContact O-CG 3.03Å; E234-R238 PolarHBondContact O-N 3.47Å; E234-R238 IonicContact OE2-CZ 3.58Å; E234-R238 IonicContact OE2-NE 2.79Å; E234-R238 PolarHBondContact OE2-NE 2.89Å; E234-R238 IonicContact OE2-NH2 3.52Å; E234-R238 PolarHBondContact OE2-NH2 3.22Å
235K89.8Confident88.5Confident96 Ų96109.5 Ų109.542%0.41750%0.504SS..Hα-helixtrans-59-38.7172.9-173.2172.8-175173.70111.3M231 E232 K239 E505M231-K235 WeakPolarHBondContact O-CB 3.47Å; M231-K235 PolarHBondContact O-N 2.82Å; E232-K235 PolarHBondContact O-N 3.45Å; K235-K239 WeakPolarHBondContact O-CB 3.5Å; K235-K239 PolarHBondContact O-N 3.11Å; K235-E505 IonicContact NZ-OE1 2.73Å; K235-E505 PolarHBondContact NZ-OE1 3.31Å
236R89.5Confident88.8Confident82 Ų82107 Ų10731%0.30950%0.5SS..Hα-helixtrans-73.1-39.3177.2-169.8-168.4-49.9142.3-0.1113.3E228 E232 R233 E234 K239 K240E228-R236 VanDerWaalsContact CD-NH1 3.3Å; E228-R236 IonicContact OE1-CZ 2.69Å; E228-R236 VanDerWaalsContact OE1-CZ 3.28Å; E228-R236 IonicContact OE1-NH1 3.78Å; E228-R236 PolarHBondContact OE1-NH1 2.8Å; E228-R236 VanDerWaalsContact OE1-NH1 3.09Å; E228-R236 IonicContact OE1-NH2 3.14Å; E228-R236 PolarHBondContact OE1-NH2 3.2Å; E228-R236 IonicContact OE2-CZ 3.21Å; E228-R236 IonicContact OE2-NH1 2.88Å; E228-R236 PolarHBondContact OE2-NH1 2.83Å; E228-R236 IonicContact OE2-NH2 3.43Å; E228-R236 PolarHBondContact OE2-NH2 2.74Å; E232-R236 VanDerWaalsContact O-CB 3.3Å; E232-R236 WeakPolarHBondContact O-CB 3.41Å; E232-R236 PolarHBondContact O-N 2.76Å; R233-R236 WeakPolarHBondContact O-CB 3.32Å; R233-R236 PolarHBondContact O-N 3.44Å; E234-R236 VanDerWaalsContact C-N 3.26Å; E234-R236 PolarHBondContact O-N 2.81Å; R236-K239 PolarHBondContact O-N 3.36Å; R236-K240 WeakPolarHBondContact O-CG 3.37Å; R236-K240 PolarHBondContact O-N 3.35Å
237E93.6Very high89Confident95 Ų95106.2 Ų106.244%0.44449%0.494SS..Hα-helixtrans-68.1-48.3175.3-75.9161.2-175.700110.4R233 E234 K239 K240 D241R233-E237 VanDerWaalsContact CG-OE1 3.24Å; R233-E237 WeakPolarHBondContact CG-OE1 3.36Å; R233-E237 WeakPolarHBondContact O-CG 3.25Å; R233-E237 PolarHBondContact O-N 3.21Å; E234-E237 PolarHBondContact O-N 3.34Å; E237-K239 VanDerWaalsContact C-N 3.27Å; E237-K239 PolarHBondContact O-N 3.3Å; E237-K240 WeakPolarHBondContact O-CA 3.4Å; E237-K240 WeakPolarHBondContact O-CB 3.37Å; E237-K240 PolarHBondContact O-N 2.84Å; E237-D241 PolarHBondContact O-N 3.36Å
238R91.6Very high89Confident130 Ų130105.6 Ų105.649%0.49149%0.487SS..Hα-helixtrans-56.2-37.5170.8-71.9-171.7-79.4109.2-7.4112.7E234 A242E234-R238 HydrophobicContact CG-CG 4.47Å; E234-R238 VanDerWaalsContact O-CB 3.29Å; E234-R238 WeakPolarHBondContact O-CB 3.44Å; E234-R238 WeakPolarHBondContact O-CG 3.03Å; E234-R238 PolarHBondContact O-N 3.47Å; E234-R238 IonicContact OE2-CZ 3.58Å; E234-R238 IonicContact OE2-NE 2.79Å; E234-R238 PolarHBondContact OE2-NE 2.89Å; E234-R238 IonicContact OE2-NH2 3.52Å; E234-R238 PolarHBondContact OE2-NH2 3.22Å; R238-A242 VanDerWaalsContact O-CB 3.23Å; R238-A242 WeakPolarHBondContact O-CB 3.22Å; R238-A242 PolarHBondContact O-N 3.41Å
239K93.3Very high88.7Confident149 Ų149104.6 Ų104.665%0.64848%0.483SS*.Hα-helixtrans-65.6-44.8172.6-176.2174.4178.61770112.1K235 R236 E237 A242 E243K235-K239 WeakPolarHBondContact O-CB 3.5Å; K235-K239 PolarHBondContact O-N 3.11Å; R236-K239 PolarHBondContact O-N 3.36Å; E237-K239 VanDerWaalsContact C-N 3.27Å; E237-K239 PolarHBondContact O-N 3.3Å; K239-A242 PolarHBondContact O-N 2.99Å; K239-E243 VanDerWaalsContact O-CB 3.28Å; K239-E243 WeakPolarHBondContact O-CB 3.42Å; K239-E243 PolarHBondContact O-N 3.19Å
240K94.2Very high88.3Confident127 Ų127106.1 Ų106.155%0.55248%0.482SS*.Hα-helixtrans-62-41176.7-76.1174.5175.1-175.80112.3R236 E237 E243 R244R236-K240 WeakPolarHBondContact O-CG 3.37Å; R236-K240 PolarHBondContact O-N 3.35Å; E237-K240 WeakPolarHBondContact O-CA 3.4Å; E237-K240 WeakPolarHBondContact O-CB 3.37Å; E237-K240 PolarHBondContact O-N 2.84Å; K240-E243 PolarHBondContact O-N 3.08Å; K240-R244 VanDerWaalsContact O-CB 3.25Å; K240-R244 WeakPolarHBondContact O-CB 3.44Å; K240-R244 PolarHBondContact O-N 3.4Å
241D94.2Very high87.8Confident81 Ų81102.8 Ų102.843%0.43348%0.477SS..Hα-helixtrans-74.3-37.3179.4-72.5-38.9000112.1E237 R244 Q245E237-D241 PolarHBondContact O-N 3.36Å; D241-R244 PolarHBondContact O-N 3.23Å; D241-R244 IonicContact OD1-CZ 3.65Å; D241-R244 IonicContact OD1-NH1 3.49Å; D241-R244 PolarHBondContact OD1-NH1 3.33Å; D241-Q245 VanDerWaalsContact O-CB 3.29Å; D241-Q245 WeakPolarHBondContact O-CB 3.32Å; D241-Q245 PolarHBondContact O-N 3.04Å
242A92.4Very high86.7Confident56 Ų5699.9 Ų99.946%0.46346%0.464SS..Hα-helixtrans-63.3-4117000000112R238 K239 Q245 A246R238-A242 VanDerWaalsContact O-CB 3.23Å; R238-A242 WeakPolarHBondContact O-CB 3.22Å; R238-A242 PolarHBondContact O-N 3.41Å; K239-A242 PolarHBondContact O-N 2.99Å; A242-Q245 PolarHBondContact O-N 2.78Å; A242-A246 VanDerWaalsContact O-CB 3.29Å; A242-A246 WeakPolarHBondContact O-CB 3.16Å; A242-A246 PolarHBondContact O-N 2.8Å
243E92.1Very high85.4Confident91 Ų9197.3 Ų97.343%0.42545%0.453SS..Hα-helixtrans-66.4-41.4175-169.3-169.5138.100111.6K239 K240 A246 K247K239-E243 VanDerWaalsContact O-CB 3.28Å; K239-E243 WeakPolarHBondContact O-CB 3.42Å; K239-E243 PolarHBondContact O-N 3.19Å; K240-E243 PolarHBondContact O-N 3.08Å; E243-A246 PolarHBondContact O-N 2.72Å; E243-K247 HydrophobicContact CG-CD 4.25Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.39Å; E243-K247 WeakPolarHBondContact O-CG 3.29Å; E243-K247 PolarHBondContact O-N 2.99Å; E243-K247 WeakPolarHBondContact OE1-CE 3.44Å; E243-K247 IonicContact OE1-NZ 3.64Å; E243-K247 PolarHBondContact OE1-NZ 3.14Å
244R90.8Very high84Confident170 Ų17096 Ų9664%0.64246%0.458SS*.Hα-helixtrans-62.1-42.7173.4-177.8-172.7-71.8159.2-12.9111.2K240 D241 R248K240-R244 VanDerWaalsContact O-CB 3.25Å; K240-R244 WeakPolarHBondContact O-CB 3.44Å; K240-R244 PolarHBondContact O-N 3.4Å; D241-R244 PolarHBondContact O-N 3.23Å; D241-R244 IonicContact OD1-CZ 3.65Å; D241-R244 IonicContact OD1-NH1 3.49Å; D241-R244 PolarHBondContact OD1-NH1 3.33Å; R244-R248 VanDerWaalsContact O-CB 3.29Å; R244-R248 WeakPolarHBondContact O-CB 3.35Å; R244-R248 PolarHBondContact O-N 3.2Å
245Q86.6Confident82.7Confident125 Ų12594.6 Ų94.658%0.58446%0.461SS*.Hα-helixtrans-68.5-42.6177.4-169175.527.200111.4D241 A242 R248 M249D241-Q245 VanDerWaalsContact O-CB 3.29Å; D241-Q245 WeakPolarHBondContact O-CB 3.32Å; D241-Q245 PolarHBondContact O-N 3.04Å; A242-Q245 PolarHBondContact O-N 2.78Å; Q245-R248 PolarHBondContact O-N 3.1Å; Q245-M249 HydrophobicContact CG-CE 4.33Å; Q245-M249 HydrophobicContact CG-CG 4.45Å; Q245-M249 WeakPolarHBondContact O-CB 3.47Å; Q245-M249 WeakPolarHBondContact O-CG 3.32Å; Q245-M249 PolarHBondContact O-N 3.11Å
246A89Confident81Confident53 Ų5392 Ų9244%0.43845%0.451SS..Hα-helixtrans-63.6-45175.500000111.9A242 E243 R248 M249 Q250A242-A246 VanDerWaalsContact O-CB 3.29Å; A242-A246 WeakPolarHBondContact O-CB 3.16Å; A242-A246 PolarHBondContact O-N 2.8Å; E243-A246 PolarHBondContact O-N 2.72Å; A246-R248 VanDerWaalsContact C-N 3.32Å; A246-R248 PolarHBondContact O-N 2.85Å; A246-M249 PolarHBondContact O-N 2.86Å; A246-Q250 PolarHBondContact O-N 2.97Å
247K86.8Confident79.5Confident120 Ų12093.6 Ų93.652%0.52247%0.465SS..Hα-helixtrans-59.8-41.5172.8-78.2173.7172.1172.20111.6E243 Q250 S251E243-K247 HydrophobicContact CG-CD 4.25Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.39Å; E243-K247 WeakPolarHBondContact O-CG 3.29Å; E243-K247 PolarHBondContact O-N 2.99Å; E243-K247 WeakPolarHBondContact OE1-CE 3.44Å; E243-K247 IonicContact OE1-NZ 3.64Å; E243-K247 PolarHBondContact OE1-NZ 3.14Å; K247-Q250 PolarHBondContact O-N 3.21Å; K247-S251 PolarHBondContact O-N 3.2Å; K247-S251 PolarHBondContact O-OG 3.06Å
248R81.7Confident77.8Confident150 Ų15095.1 Ų95.157%0.56648%0.475SS*.Hα-helixtrans-64.9-40.7174.4-165.3178.1-169.1173.47.2112.7R244 Q245 A246 Q250 S251 D252R244-R248 VanDerWaalsContact O-CB 3.29Å; R244-R248 WeakPolarHBondContact O-CB 3.35Å; R244-R248 PolarHBondContact O-N 3.2Å; Q245-R248 PolarHBondContact O-N 3.1Å; A246-R248 VanDerWaalsContact C-N 3.32Å; A246-R248 PolarHBondContact O-N 2.85Å; R248-Q250 PolarHBondContact O-N 3.18Å; R248-S251 PolarHBondContact O-N 3.19Å; R248-S251 PolarHBondContact O-OG 2.75Å; R248-D252 HydrophobicContact CG-CB 4.25Å; R248-D252 WeakPolarHBondContact CG-OD2 3.42Å; R248-D252 IonicContact CZ-OD2 3.18Å; R248-D252 IonicContact NE-OD2 2.77Å; R248-D252 PolarHBondContact NE-OD2 2.69Å; R248-D252 IonicContact NH2-OD2 2.69Å; R248-D252 WeakPolarHBondContact O-CA 3.18Å; R248-D252 VanDerWaalsContact O-CB 3.22Å; R248-D252 WeakPolarHBondContact O-CB 3.47Å; R248-D252 PolarHBondContact O-N 2.8Å
249M77Confident76.2Confident74 Ų7495.6 Ų95.637%0.36548%0.483SS..Hα-helixtrans-65.6-25.1175.1-65.3-85.5148.200112Q245 A246 L253 L256Q245-M249 HydrophobicContact CG-CE 4.33Å; Q245-M249 HydrophobicContact CG-CG 4.45Å; Q245-M249 WeakPolarHBondContact O-CB 3.47Å; Q245-M249 WeakPolarHBondContact O-CG 3.32Å; Q245-M249 PolarHBondContact O-N 3.11Å; A246-M249 PolarHBondContact O-N 2.86Å; M249-L253 WeakPolarHBondContact O-CA 3.38Å; M249-L253 WeakPolarHBondContact O-CB 3.29Å; M249-L253 WeakPolarHBondContact O-CD1 3.13Å; M249-L253 VanDerWaalsContact O-CG 3.32Å; M249-L253 WeakPolarHBondContact O-CG 3.47Å; M249-L256 HydrophobicContact CE-CD1 3.77Å; M249-L256 HydrophobicContact CE-CD2 4.03Å; M249-L256 HydrophobicContact CG-CD1 4.32Å; M249-L256 HydrophobicContact SD-CD1 3.79Å
250Q77.7Confident74.4Confident104 Ų10497.6 Ų97.649%0.48649%0.486SS..Hα-helixtrans-85-42.9172.4-73.4-178.8-24.300113.6A246 K247 R248 L253 V916A246-Q250 PolarHBondContact O-N 2.97Å; K247-Q250 PolarHBondContact O-N 3.21Å; R248-Q250 PolarHBondContact O-N 3.18Å; Q250-L253 WeakPolarHBondContact O-CB 3.33Å; Q250-V916 WeakPolarHBondContact O-CG2 3.49Å
251S74.9Confident72.4Confident73 Ų7393.7 Ų93.751%0.5148%0.483SS..Hα-helixtrans-74.6-47.7-179.760.70000112.1K247 R248 L253K247-S251 PolarHBondContact O-N 3.2Å; K247-S251 PolarHBondContact O-OG 3.06Å; R248-S251 PolarHBondContact O-N 3.19Å; R248-S251 PolarHBondContact O-OG 2.75Å; S251-L253 PolarHBondContact O-N 3.32Å
252D61.5Low70.4Confident56 Ų5696.2 Ų96.230%0.29950%0.496SS..SBendtrans-89.115.2-178-49.38.3000109.7R248 P254 G255 L256R248-D252 HydrophobicContact CG-CB 4.25Å; R248-D252 WeakPolarHBondContact CG-OD2 3.42Å; R248-D252 IonicContact CZ-OD2 3.18Å; R248-D252 IonicContact NE-OD2 2.77Å; R248-D252 PolarHBondContact NE-OD2 2.69Å; R248-D252 IonicContact NH2-OD2 2.69Å; R248-D252 WeakPolarHBondContact O-CA 3.18Å; R248-D252 VanDerWaalsContact O-CB 3.22Å; R248-D252 WeakPolarHBondContact O-CB 3.47Å; R248-D252 PolarHBondContact O-N 2.8Å; D252-P254 VanDerWaalsContact C-CD 3.47Å; D252-P254 VanDerWaalsContact C-N 3.31Å; D252-G255 CarbonylContact O-C 3.54Å; D252-G255 WeakPolarHBondContact O-CA 3.1Å; D252-G255 PolarHBondContact O-N 3.26Å; D252-L256 HydrophobicContact CB-CD1 3.86Å; D252-L256 HydrophobicContact CB-CG 4.17Å; D252-L256 WeakPolarHBondContact O-CB 3.41Å; D252-L256 PolarHBondContact O-N 2.94Å
253L59.4Low68.5Low41 Ų4197.6 Ų97.622%0.21550%0.502CS..Hα-helixtrans-52.1-42.3-178.7-152.2152.9000112.3M249 Q250 S251 G255 I257M249-L253 WeakPolarHBondContact O-CA 3.38Å; M249-L253 WeakPolarHBondContact O-CB 3.29Å; M249-L253 WeakPolarHBondContact O-CD1 3.13Å; M249-L253 VanDerWaalsContact O-CG 3.32Å; M249-L253 WeakPolarHBondContact O-CG 3.47Å; Q250-L253 WeakPolarHBondContact O-CB 3.33Å; S251-L253 PolarHBondContact O-N 3.32Å; L253-G255 VanDerWaalsContact C-N 3.35Å; L253-G255 PolarHBondContact O-N 3.35Å; L253-I257 HydrophobicContact CD2-CD1 3.65Å; L253-I257 HydrophobicContact CD2-CG1 4.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 PolarHBondContact O-N 3.47Å
254P58.1Low66.6Low80 Ų8099.8 Ų99.852%0.51952%0.516SS..Hα-helixtrans-63.8-33.1171.4-22.435.2000114.5D252 M915D252-P254 VanDerWaalsContact C-CD 3.47Å; D252-P254 VanDerWaalsContact C-N 3.31Å; P254-M915 HydrophobicContact CG-CE 4.49Å
255G61.7Low64.4Low34 Ų3499 Ų9935%0.35153%0.525SS..Hα-helixtrans-86.7-31.2-177.900000114.5D252 L253 L258 Q259D252-G255 CarbonylContact O-C 3.54Å; D252-G255 WeakPolarHBondContact O-CA 3.1Å; D252-G255 PolarHBondContact O-N 3.26Å; L253-G255 VanDerWaalsContact C-N 3.35Å; L253-G255 PolarHBondContact O-N 3.35Å; G255-L258 CarbonylContact O-C 3.6Å; G255-L258 WeakPolarHBondContact O-CB 3.33Å; G255-L258 PolarHBondContact O-N 2.8Å; G255-Q259 WeakPolarHBondContact O-CG 3.29Å; G255-Q259 PolarHBondContact O-N 2.82Å
256L54.4Low62.4Low41 Ų41102.4 Ų102.422%0.21554%0.541CS..Hα-helixtrans-78.4-29.8178.4-83.6161.9000112.3M249 D252 L258 R260M249-L256 HydrophobicContact CE-CD1 3.77Å; M249-L256 HydrophobicContact CE-CD2 4.03Å; M249-L256 HydrophobicContact CG-CD1 4.32Å; M249-L256 HydrophobicContact SD-CD1 3.79Å; D252-L256 HydrophobicContact CB-CD1 3.86Å; D252-L256 HydrophobicContact CB-CG 4.17Å; D252-L256 WeakPolarHBondContact O-CB 3.41Å; D252-L256 PolarHBondContact O-N 2.94Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-R260 VanDerWaalsContact O-CB 3.22Å; L256-R260 WeakPolarHBondContact O-CB 3.29Å; L256-R260 PolarHBondContact O-N 3.44Å
257I59Low60Low116 Ų116104.4 Ų104.460%0.59555%0.549SS*.Hα-helixtrans-60.8-47.5163.9-71.2173.7000109.2L253 Q259 G261L253-I257 HydrophobicContact CD2-CD1 3.65Å; L253-I257 HydrophobicContact CD2-CG1 4.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 PolarHBondContact O-N 3.47Å; I257-Q259 PolarHBondContact O-N 3.38Å; I257-G261 PolarHBondContact O-N 3.27Å
258L58.1Low57.8Low126 Ų126107.5 Ų107.566%0.6657%0.568SS**Hα-helixtrans-64.6-35.3179.8-14876.1000113.3G255 L256 N262G255-L258 CarbonylContact O-C 3.6Å; G255-L258 WeakPolarHBondContact O-CB 3.33Å; G255-L258 PolarHBondContact O-N 2.8Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L258-N262 PolarHBondContact O-OD1 3.21Å
259Q58.3Low56.1Low140 Ų140107.1 Ų107.165%0.65458%0.576SS**Hα-helixtrans-81.7-38.2178.1-75.1-175.8-8.200113.6G255 I257 G261 N262G255-Q259 WeakPolarHBondContact O-CG 3.29Å; G255-Q259 PolarHBondContact O-N 2.82Å; I257-Q259 PolarHBondContact O-N 3.38Å; Q259-G261 VanDerWaalsContact C-N 3.31Å; Q259-N262 PolarHBondContact O-N 3.38Å
260R54.9Low54.5Low191 Ų191113.2 Ų113.272%0.72160%0.601SS**Hα-helixtrans-70.9-29.3177.8-175.2178.5-78.4-174.1-3.5111.9L256 N262 S263L256-R260 VanDerWaalsContact O-CB 3.22Å; L256-R260 WeakPolarHBondContact O-CB 3.29Å; L256-R260 PolarHBondContact O-N 3.44Å; R260-N262 PolarHBondContact O-N 2.97Å; R260-S263 PolarHBondContact O-OG 3.44Å
261G52.9Low52.9Low46 Ų46117.1 Ų117.147%0.47461%0.611SS.*THydrogen-bonded Turntrans-65.8-15.7171.700000114.6I257 Q259I257-G261 PolarHBondContact O-N 3.27Å; Q259-G261 VanDerWaalsContact C-N 3.31Å
262N51.6Low51.8Low134 Ų134118.9 Ų118.972%0.71762%0.623SS**THydrogen-bonded Turntrans-97.313.8-177-714000113.8L258 Q259 R260L258-N262 PolarHBondContact O-OD1 3.21Å; Q259-N262 PolarHBondContact O-N 3.38Å; R260-N262 PolarHBondContact O-N 2.97Å
263S51.7Low51.4Low85 Ų85125.6 Ų125.659%0.59465%0.65SS**SBendtrans-122.2-3-179.160.10000115.7R260R260-S263 PolarHBondContact O-OG 3.44Å
264L51.9Low50.9Low136 Ų136130.1 Ų130.171%0.71267%0.673SS**SBendtrans-140.6110.2165.3-78.893000108.3
265D45.1Very low51.2Low153 Ų153132.5 Ų132.582%0.81869%0.686SS**SBendtrans57.6147.6159.2-48-32.5000119.8
266E45.6Very low50.9Low197 Ų197136.8 Ų136.892%0.92170%0.7SS**  trans-71.4162.6-157.1-87.3-167.3111.700117.5
267P36.9Very low51.5Low95 Ų95140.3 Ų140.362%0.61773%0.725SS**  -114.1144.3-128.639.5-34.8000116.8
268M41.8Very low52Low185 Ų185138.7 Ų138.791%0.91173%0.73SS**  trans-94.2104.7163.4-69.3-157.782.100112.2K270M268-K270 PolarHBondContact O-N 3.26Å
269L45.8Very low52.3Low143 Ų143138.1 Ų138.175%0.74973%0.734SS**  trans-64.2111.4174.9-77.4157.5000112.3
270K43.7Very low52.6Low202 Ų202140.5 Ų140.588%0.87875%0.745SS**  trans-116.180.2155.1-72.6-172178.5-179.70109.7M268 S272M268-K270 PolarHBondContact O-N 3.26Å; K270-S272 PolarHBondContact O-N 3.01Å
271R43.7Very low53.1Low186 Ų186134.3 Ų134.370%0.70273%0.728SS**  trans-56.5135.2164.7-81.6178.6161.2141.2-4.1108.4
272S51.2Low54.1Low109 Ų109134.7 Ų134.776%0.76272%0.723SS**  trans-57.3144.5163.143.20000109.2K270 L274K270-S272 PolarHBondContact O-N 3.01Å; S272-L274 PolarHBondContact O-N 2.87Å
273K53.4Low55.1Low198 Ų198134.9 Ų134.986%0.86173%0.725SS**  trans-62.4104.2179.4-173.8178.1-179.3-177.90108.5V275K273-V275 PolarHBondContact O-N 3.48Å
274L48.8Very low56.4Low136 Ų136136.2 Ų136.271%0.71272%0.724SS**  trans-69.1103.4178.2-174.168.8000108S272 L276S272-L274 PolarHBondContact O-N 2.87Å; L274-L276 HydrophobicContact CD2-CD1 4.29Å; L274-L276 HydrophobicContact CD2-CD2 3.76Å; L274-L276 HydrophobicContact CD2-CG 3.92Å; L274-L276 HydrophobicContact CG-CD2 4.02Å; L274-L276 HydrophobicContact CG-CG 4.02Å; L274-L276 PolarHBondContact O-N 2.84Å
275V64.4Low57.5Low130 Ų130134.4 Ų134.479%0.78871%0.712SS**  trans-75.383.8173.5-176.20000107.7K273K273-V275 PolarHBondContact O-N 3.48Å
276L55.9Low58.6Low124 Ų124131.3 Ų131.365%0.64970%0.695SS**PPolyproline II helixtrans-70.6148.3164-66.4175.7000109L274L274-L276 HydrophobicContact CD2-CD1 4.29Å; L274-L276 HydrophobicContact CD2-CD2 3.76Å; L274-L276 HydrophobicContact CD2-CG 3.92Å; L274-L276 HydrophobicContact CG-CD2 4.02Å; L274-L276 HydrophobicContact CG-CG 4.02Å; L274-L276 PolarHBondContact O-N 2.84Å
277P67.3Low60.1Low114 Ų114126.3 Ų126.374%0.7467%0.672SS**PPolyproline II helixtrans-53.7147.9163.8-22.533.9000110.5
278A69.3Low62Low83 Ų83125.6 Ų125.669%0.68666%0.663SS**PPolyproline II helixtrans-57.4143.5172.900000110.3Q280A278-Q280 PolarHBondContact O-N 2.9Å
279P64Low63.3Low114 Ų114121.9 Ų121.974%0.7465%0.646SS**PPolyproline II helixtrans-59.6123.7179.425-33.6000110V281P279-V281 PolarHBondContact O-N 2.85Å; P279-V281 VanDerWaalsContact O-N 3.11Å
280Q65Low64.6Low189 Ų189119.2 Ų119.288%0.88363%0.632SS**SBendtrans-80.622.2178.5-64-176.1-25.800112.6A278A278-Q280 PolarHBondContact O-N 2.9Å
281V64.7Low66.1Low61 Ų61114.6 Ų114.637%0.3761%0.612SS.*SBendtrans-142120.3-177.2-177.80000105.5P279 E285 L289P279-V281 PolarHBondContact O-N 2.85Å; P279-V281 VanDerWaalsContact O-N 3.11Å; V281-E285 HydrophobicContact CG1-CB 3.54Å; V281-L289 HydrophobicContact CG1-CD1 4.18Å
282S75.5Confident67.6Low54 Ų54110.8 Ų110.838%0.37861%0.609SS.*  trans-70.6158.417862.30000111.7L284 E285 L286S282-L284 PolarHBondContact O-N 2.79Å; S282-L284 VanDerWaalsContact O-N 3.12Å; S282-E285 VanDerWaalsContact CB-OE2 3.31Å; S282-E285 WeakPolarHBondContact CB-OE2 3.44Å; S282-E285 PolarHBondContact N-OE2 3.1Å; S282-E285 CarbonylContact O-C 3.49Å; S282-E285 PolarHBondContact O-N 3.41Å; S282-E285 WeakPolarHBondContact OG-CG 3.17Å; S282-E285 PolarHBondContact OG-N 2.76Å; S282-E285 PolarHBondContact OG-OE2 2.84Å; S282-L286 PolarHBondContact O-N 2.85Å
283D72.3Confident68.5Low139 Ų139107.5 Ų107.574%0.74359%0.592SS**Hα-helixtrans-58.1-28.1176.6-65.4-38.4000112.4L286 E287D283-L286 PolarHBondContact O-N 3.38Å; D283-E287 WeakPolarHBondContact O-CB 3.44Å; D283-E287 PolarHBondContact O-N 2.81Å
284L78.6Confident69.3Low112 Ų112103.1 Ų103.159%0.58657%0.574SS**Hα-helixtrans-70.9-40.2174.2-172.969.9000112.3S282 L286 E287 N288S282-L284 PolarHBondContact O-N 2.79Å; S282-L284 VanDerWaalsContact O-N 3.12Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-E287 PolarHBondContact O-N 3.12Å; L284-N288 WeakPolarHBondContact O-CB 3.5Å; L284-N288 VanDerWaalsContact O-CG 3.27Å; L284-N288 PolarHBondContact O-N 3.05Å; L284-N288 PolarHBondContact O-ND2 3.27Å
285E74.5Confident70.2Confident99 Ų9999.5 Ų99.546%0.46356%0.564SS.*Hα-helixtrans-69.9-32.2172.2-70.5162.3119.700111.4V281 S282 N288 L289V281-E285 HydrophobicContact CG1-CB 3.54Å; S282-E285 VanDerWaalsContact CB-OE2 3.31Å; S282-E285 WeakPolarHBondContact CB-OE2 3.44Å; S282-E285 PolarHBondContact N-OE2 3.1Å; S282-E285 CarbonylContact O-C 3.49Å; S282-E285 PolarHBondContact O-N 3.41Å; S282-E285 WeakPolarHBondContact OG-CG 3.17Å; S282-E285 PolarHBondContact OG-N 2.76Å; S282-E285 PolarHBondContact OG-OE2 2.84Å; E285-N288 PolarHBondContact O-N 3.21Å; E285-L289 WeakPolarHBondContact O-CB 3.33Å; E285-L289 WeakPolarHBondContact O-CG 3.46Å; E285-L289 PolarHBondContact O-N 2.84Å
286L69.1Low70.4Confident87 Ų8795.1 Ų95.146%0.45555%0.545SS..Hα-helixtrans-67.6-42.9172.5-15777.7000111.4S282 D283 L284 N288 L289 I290S282-L286 PolarHBondContact O-N 2.85Å; D283-L286 PolarHBondContact O-N 3.38Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L286-N288 VanDerWaalsContact C-N 3.32Å; L286-N288 PolarHBondContact O-N 3.41Å; L286-L289 PolarHBondContact O-N 3.47Å; L286-I290 HydrophobicContact CG-CD1 4.37Å; L286-I290 WeakPolarHBondContact O-CB 3.29Å; L286-I290 VanDerWaalsContact O-CG1 3.24Å; L286-I290 WeakPolarHBondContact O-CG1 3.26Å; L286-I290 PolarHBondContact O-N 2.93Å
287E76.8Confident70.7Confident92 Ų9295 Ų9543%0.4354%0.541SS..Hα-helixtrans-62.8-39.6173.6-162.4-164.2159.300111.2D283 L284 I290 K291D283-E287 WeakPolarHBondContact O-CB 3.44Å; D283-E287 PolarHBondContact O-N 2.81Å; L284-E287 PolarHBondContact O-N 3.12Å; E287-I290 PolarHBondContact O-N 2.68Å; E287-K291 WeakPolarHBondContact O-CB 3.45Å; E287-K291 WeakPolarHBondContact O-CG 3.12Å; E287-K291 PolarHBondContact O-N 3.19Å; E287-K291 WeakPolarHBondContact OE1-CE 3.21Å; E287-K291 IonicContact OE1-NZ 3.94Å; E287-K291 PolarHBondContact OE1-NZ 3.13Å
288N77.1Confident70.6Confident81 Ų8193.7 Ų93.743%0.43353%0.528SS..Hα-helixtrans-67.6-39.6174.2-74-37.9000112.4L284 E285 L286 K291 V292L284-N288 WeakPolarHBondContact O-CB 3.5Å; L284-N288 VanDerWaalsContact O-CG 3.27Å; L284-N288 PolarHBondContact O-N 3.05Å; L284-N288 PolarHBondContact O-ND2 3.27Å; E285-N288 PolarHBondContact O-N 3.21Å; L286-N288 VanDerWaalsContact C-N 3.32Å; L286-N288 PolarHBondContact O-N 3.41Å; N288-K291 PolarHBondContact O-N 3.16Å; N288-V292 WeakPolarHBondContact O-CG2 3.25Å; N288-V292 PolarHBondContact O-N 3.14Å
289L68.6Low70.3Confident107 Ų10792.5 Ų92.556%0.5652%0.519SS*.Hα-helixtrans-65.3-37172.8-83.9163.7000112V281 E285 L286 V292 G293V281-L289 HydrophobicContact CG1-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CB 3.33Å; E285-L289 WeakPolarHBondContact O-CG 3.46Å; E285-L289 PolarHBondContact O-N 2.84Å; L286-L289 PolarHBondContact O-N 3.47Å; L289-V292 PolarHBondContact O-N 3.1Å; L289-G293 PolarHBondContact O-N 2.57Å
290I72.5Confident70.1Confident87 Ų8791.3 Ų91.345%0.44651%0.509SS..Hα-helixtrans-66.6-40.5172.7-70.3163.2000110.4L286 E287 G293 Q294L286-I290 HydrophobicContact CG-CD1 4.37Å; L286-I290 WeakPolarHBondContact O-CB 3.29Å; L286-I290 VanDerWaalsContact O-CG1 3.24Å; L286-I290 WeakPolarHBondContact O-CG1 3.26Å; L286-I290 PolarHBondContact O-N 2.93Å; E287-I290 PolarHBondContact O-N 2.68Å; I290-G293 PolarHBondContact O-N 3.39Å; I290-Q294 HydrophobicContact CG2-CG 4.42Å; I290-Q294 VanDerWaalsContact O-CB 3.3Å; I290-Q294 WeakPolarHBondContact O-CB 3.46Å; I290-Q294 WeakPolarHBondContact O-CG 3.24Å; I290-Q294 PolarHBondContact O-N 3.34Å
291K75.7Confident69.9Low105 Ų10588.8 Ų88.846%0.45749%0.491SS..Hα-helixtrans-66.7-39.6174.8-76.5169.4-177165.50113E287 N288 A295E287-K291 WeakPolarHBondContact O-CB 3.45Å; E287-K291 WeakPolarHBondContact O-CG 3.12Å; E287-K291 PolarHBondContact O-N 3.19Å; E287-K291 WeakPolarHBondContact OE1-CE 3.21Å; E287-K291 IonicContact OE1-NZ 3.94Å; E287-K291 PolarHBondContact OE1-NZ 3.13Å; N288-K291 PolarHBondContact O-N 3.16Å; K291-A295 VanDerWaalsContact O-CB 3.26Å; K291-A295 WeakPolarHBondContact O-CB 3.46Å; K291-A295 PolarHBondContact O-N 3.28Å
292V74.1Confident69.8Low105 Ų10591.1 Ų91.164%0.63650%0.5SS*.Hα-helixtrans-69.5-39.4173.9172.20000110.9N288 L289 A295 G296N288-V292 WeakPolarHBondContact O-CG2 3.25Å; N288-V292 PolarHBondContact O-N 3.14Å; L289-V292 PolarHBondContact O-N 3.1Å; V292-A295 PolarHBondContact O-N 3.25Å; V292-G296 PolarHBondContact O-N 3.02Å
293G70.2Confident69.1Low40 Ų4092.1 Ų92.141%0.41251%0.511SS..Hα-helixtrans-61.5-48.1173.400000112.3L289 I290 A295 G296 E297L289-G293 PolarHBondContact O-N 2.57Å; I290-G293 PolarHBondContact O-N 3.39Å; G293-A295 VanDerWaalsContact C-N 3.35Å; G293-A295 PolarHBondContact O-N 3.07Å; G293-G296 PolarHBondContact O-N 3.04Å; G293-E297 WeakPolarHBondContact O-CB 3.34Å; G293-E297 PolarHBondContact O-N 2.94Å
294Q71.5Confident68.5Low106 Ų10690.7 Ų90.750%0.49550%0.502SS..Hα-helixtrans-66.7-32174.1-75.6-178.7-17.200112.6I290 N298I290-Q294 HydrophobicContact CG2-CG 4.42Å; I290-Q294 VanDerWaalsContact O-CB 3.3Å; I290-Q294 WeakPolarHBondContact O-CB 3.46Å; I290-Q294 WeakPolarHBondContact O-CG 3.24Å; I290-Q294 PolarHBondContact O-N 3.34Å; Q294-N298 WeakPolarHBondContact O-CB 3.34Å; Q294-N298 PolarHBondContact O-N 3.21Å; Q294-N298 PolarHBondContact O-ND2 3.26Å
295A67.2Low67.5Low60 Ų6091.2 Ų91.250%0.49650%0.502SS..Hα-helixtrans-66.1-39.4171.600000111.3K291 V292 G293 A299K291-A295 VanDerWaalsContact O-CB 3.26Å; K291-A295 WeakPolarHBondContact O-CB 3.46Å; K291-A295 PolarHBondContact O-N 3.28Å; V292-A295 PolarHBondContact O-N 3.25Å; G293-A295 VanDerWaalsContact C-N 3.35Å; G293-A295 PolarHBondContact O-N 3.07Å; A295-A299 WeakPolarHBondContact O-CB 3.01Å; A295-A299 PolarHBondContact O-N 3.21Å
296G67.6Low66.7Low38 Ų3893 Ų9339%0.39251%0.514SS..Hα-helixtrans-67.1-47.1172.600000113V292 G293 A299 V300V292-G296 PolarHBondContact O-N 3.02Å; G293-G296 PolarHBondContact O-N 3.04Å; G296-A299 PolarHBondContact O-N 2.8Å; G296-V300 WeakPolarHBondContact O-CG2 3.19Å; G296-V300 PolarHBondContact O-N 2.82Å
297E63.4Low65.9Low121 Ų12191.8 Ų91.857%0.56552%0.517SS*.Hα-helixtrans-68.7-36.2179.7-168.8173.8-16200111.9G293 V300 R301G293-E297 WeakPolarHBondContact O-CB 3.34Å; G293-E297 PolarHBondContact O-N 2.94Å; E297-V300 PolarHBondContact O-N 2.88Å; E297-R301 WeakPolarHBondContact O-CB 3.49Å; E297-R301 WeakPolarHBondContact O-CG 3.37Å; E297-R301 PolarHBondContact O-N 2.95Å
298N64.1Low64.2Low87 Ų8795.6 Ų95.647%0.46554%0.54SS..Hα-helixtrans-72.4-32171.4-70.4-22.3000112.3Q294 R301 M302Q294-N298 WeakPolarHBondContact O-CB 3.34Å; Q294-N298 PolarHBondContact O-N 3.21Å; Q294-N298 PolarHBondContact O-ND2 3.26Å; N298-R301 PolarHBondContact O-N 3.43Å; N298-M302 WeakPolarHBondContact O-CB 2.88Å; N298-M302 WeakPolarHBondContact O-CG 3.28Å; N298-M302 PolarHBondContact O-N 3.03Å
299A63.2Low62.5Low59 Ų5994.8 Ų94.849%0.48855%0.551SS.*Hα-helixtrans-67.1-38.517100000111.6A295 G296 A303A295-A299 WeakPolarHBondContact O-CB 3.01Å; A295-A299 PolarHBondContact O-N 3.21Å; G296-A299 PolarHBondContact O-N 2.8Å; A299-A303 VanDerWaalsContact O-CB 3.23Å; A299-A303 WeakPolarHBondContact O-CB 3.33Å; A299-A303 PolarHBondContact O-N 2.66Å
300V60.8Low61.1Low88 Ų8899 Ų9953%0.53357%0.567SS.*Hα-helixtrans-67.2-39.9172.2170.10000111.2G296 E297 A303 I304G296-V300 WeakPolarHBondContact O-CG2 3.19Å; G296-V300 PolarHBondContact O-N 2.82Å; E297-V300 PolarHBondContact O-N 2.88Å; V300-A303 PolarHBondContact O-N 3.25Å; V300-I304 HydrophobicContact CG1-CD1 3.88Å; V300-I304 WeakPolarHBondContact O-CD1 3.45Å; V300-I304 VanDerWaalsContact O-CG1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.1Å; V300-I304 PolarHBondContact O-N 3.22Å; V300-I304 VanDerWaalsContact O-N 3.15Å
301R60.6Low59.4Low136 Ų136103.7 Ų103.751%0.51359%0.593SS.*Hα-helixtrans-65.6-47.2174-80.8179.9165.3-134.9-0.6112.8E297 N298 A303 I304 E305E297-R301 WeakPolarHBondContact O-CB 3.49Å; E297-R301 WeakPolarHBondContact O-CG 3.37Å; E297-R301 PolarHBondContact O-N 2.95Å; N298-R301 PolarHBondContact O-N 3.43Å; R301-A303 VanDerWaalsContact C-N 3.29Å; R301-A303 PolarHBondContact O-N 2.93Å; R301-I304 CarbonylContact O-C 3.6Å; R301-I304 WeakPolarHBondContact O-CA 3.25Å; R301-I304 WeakPolarHBondContact O-CB 3.19Å; R301-I304 PolarHBondContact O-N 3.44Å; R301-E305 WeakPolarHBondContact O-CB 3.44Å; R301-E305 WeakPolarHBondContact O-CG 3.44Å; R301-E305 PolarHBondContact O-N 2.85Å
302M63.1Low57.8Low111 Ų111102.4 Ų102.455%0.54761%0.609SS.*Hα-helixtrans-64.5-35.9176.3-64.2-147.3-59.400111.1N298 I304 E305 D306N298-M302 WeakPolarHBondContact O-CB 2.88Å; N298-M302 WeakPolarHBondContact O-CG 3.28Å; N298-M302 PolarHBondContact O-N 3.03Å; M302-I304 PolarHBondContact O-N 3.27Å; M302-I304 VanDerWaalsContact O-N 3.11Å; M302-E305 PolarHBondContact O-N 3.32Å; M302-D306 VanDerWaalsContact O-CB 3.26Å; M302-D306 WeakPolarHBondContact O-CB 3.29Å; M302-D306 PolarHBondContact O-N 3.09Å
303A60Low56.5Low74 Ų74101.2 Ų101.261%0.61261%0.606SS**Hα-helixtrans-67-7.3169.400000115.2A299 V300 R301A299-A303 VanDerWaalsContact O-CB 3.23Å; A299-A303 WeakPolarHBondContact O-CB 3.33Å; A299-A303 PolarHBondContact O-N 2.66Å; V300-A303 PolarHBondContact O-N 3.25Å; R301-A303 VanDerWaalsContact C-N 3.29Å; R301-A303 PolarHBondContact O-N 2.93Å
304I60.5Low55.5Low109 Ų109103.6 Ų103.656%0.55962%0.621SS**Hα-helixtrans-105.8-27.7172.5-71.5166.3000111.2V300 R301 M302V300-I304 HydrophobicContact CG1-CD1 3.88Å; V300-I304 WeakPolarHBondContact O-CD1 3.45Å; V300-I304 VanDerWaalsContact O-CG1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.1Å; V300-I304 PolarHBondContact O-N 3.22Å; V300-I304 VanDerWaalsContact O-N 3.15Å; R301-I304 CarbonylContact O-C 3.6Å; R301-I304 WeakPolarHBondContact O-CA 3.25Å; R301-I304 WeakPolarHBondContact O-CB 3.19Å; R301-I304 PolarHBondContact O-N 3.44Å; M302-I304 PolarHBondContact O-N 3.27Å; M302-I304 VanDerWaalsContact O-N 3.11Å
305E56.3Low54.6Low124 Ų124102.3 Ų102.358%0.57962%0.621SS**Hα-helixtrans-93.5-28-176.5-69.8170.1-175.600112.7R301 M302 A307R301-E305 WeakPolarHBondContact O-CB 3.44Å; R301-E305 WeakPolarHBondContact O-CG 3.44Å; R301-E305 PolarHBondContact O-N 2.85Å; M302-E305 PolarHBondContact O-N 3.32Å; E305-A307 PolarHBondContact O-N 2.98Å
306D58.6Low54Low135 Ų135105.1 Ų105.172%0.72262%0.624SS**SBendtrans-75.14.6172.3-72.1-39000113.2M302 D308M302-D306 VanDerWaalsContact O-CB 3.26Å; M302-D306 WeakPolarHBondContact O-CB 3.29Å; M302-D306 PolarHBondContact O-N 3.09Å; D306-D308 PolarHBondContact O-N 3.49Å
307A51.1Low53.5Low62 Ų62108.2 Ų108.251%0.51264%0.636SS.*  trans-100.250.3-172.200000113.6E305 G309E305-A307 PolarHBondContact O-N 2.98Å; A307-G309 PolarHBondContact O-N 2.9Å
308D41.3Very low53.2Low173 Ų173107.1 Ų107.193%0.92563%0.634SS**  trans-66.387.2175.4-98.2-29.4000112.2D306D306-D308 PolarHBondContact O-N 3.49Å
309G41.6Very low52.9Low63 Ų63108.9 Ų108.965%0.64964%0.643SS**SBendtrans171.3119.3171.300000117.1A307A307-G309 PolarHBondContact O-N 2.9Å
310E39Very low52.6Low195 Ų195111.5 Ų111.591%0.91166%0.655SS**  trans48116.1163-62.8-166.3119.300119.9G312E310-G312 PolarHBondContact O-N 2.81Å
311L36.4Very low51.8Low186 Ų186114.3 Ų114.397%0.97466%0.662SS**SBendtrans-54.9123.8164.3-82.361.5000111.4
312G42.2Very low51.4Low78 Ų78117.3 Ų117.380%0.80468%0.675SS**  trans159.3-16.7158.200000119.3E310 A314E310-G312 PolarHBondContact O-N 2.81Å; G312-A314 PolarHBondContact O-N 3.32Å
313S47.1Very low50.3Low81 Ų81117.8 Ų117.857%0.56669%0.686SS**  trans-78.1125.7-171-163.30000113.7T315S313-T315 PolarHBondContact O-N 3.36Å; S313-T315 VanDerWaalsContact O-N 3.12Å
314A49.9Very low49.7Very low89 Ų89120.8 Ų120.874%0.73670%0.697SS**THydrogen-bonded Turntrans-78.810.3-167.400000115.9G312G312-A314 PolarHBondContact O-N 3.32Å
315T52.5Low48.6Very low80 Ų80118.8 Ų118.849%0.49170%0.704SS.*THydrogen-bonded Turntrans-98.9-19.9-172.247.90000115.1S313 P317 L318S313-T315 PolarHBondContact O-N 3.36Å; S313-T315 VanDerWaalsContact O-N 3.12Å; T315-P317 VanDerWaalsContact C-CD 3.41Å; T315-P317 VanDerWaalsContact C-N 3.34Å; T315-L318 PolarHBondContact O-N 2.85Å
316H53.8Low47.6Very low119 Ų119118.4 Ų118.455%0.55171%0.714SS**G310 helixtrans-55.5-35.3-178.2-72.7-91.4000115.2L318H316-L318 PolarHBondContact O-N 3.21Å
317P58.6Low46.7Very low102 Ų102122.5 Ų122.566%0.66273%0.726SS**G310 helixtrans-66.5-12.8176.4-22.935.2000115.4T315T315-P317 VanDerWaalsContact C-CD 3.41Å; T315-P317 VanDerWaalsContact C-N 3.34Å
318L56.3Low46.2Very low99 Ų99123.2 Ų123.252%0.51873%0.732SS.*G310 helixtrans-103-7.5-169.9-58.2175.7000114T315 H316 E321T315-L318 PolarHBondContact O-N 2.85Å; H316-L318 PolarHBondContact O-N 3.21Å; L318-E321 PolarHBondContact O-N 3.02Å
319L57.6Low46.2Very low123 Ų123121.6 Ų121.664%0.64473%0.729SS**G310 helixtrans-67.5-24.6179.1-63.4176.9000115.5E321L319-E321 VanDerWaalsContact C-N 3.26Å; L319-E321 PolarHBondContact O-N 3.42Å
320P56.5Low46.1Very low114 Ų114124.2 Ų124.274%0.7473%0.734SS**G310 helixtrans-70.3-11.9174.9-2234.7000115.7
321E44.5Very low45.9Very low148 Ų148119.8 Ų119.869%0.69273%0.731SS**G310 helixtrans-10416.6-161.5-61.8-162.5133.200115.8L318 L319 P323L318-E321 PolarHBondContact O-N 3.02Å; L319-E321 VanDerWaalsContact C-N 3.26Å; L319-E321 PolarHBondContact O-N 3.42Å; E321-P323 WeakPolarHBondContact O-CD 3.46Å
322Y53.6Low46.1Very low199 Ų199119 Ų11978%0.7873%0.727SS**  trans-92.5111174.9-86.6-82.8000112.6
323P39.8Very low45.8Very low121 Ų121122.1 Ų122.179%0.78673%0.725SS**  trans-103.9113.3-174.735.2-24.4000112.2E321E321-P323 WeakPolarHBondContact O-CD 3.46Å
324T45.9Very low45.3Very low136 Ų136126.2 Ų126.283%0.83474%0.74SS**  trans-122.398.4-178.555.10000113.4
325G38.4Very low44.9Very low68 Ų68130.6 Ų130.670%0.70175%0.745SS**  trans78.280.3162.400000115.8
326S35.6Very low44.3Very low115 Ų115138.3 Ų138.380%0.80477%0.765SS**  70.69978.1-61.30000116
327F39Very low43.7Very low221 Ų221137.4 Ų137.497%0.96977%0.768SS**  -162.2142.7126.7-103.4-68.8000112.2
328A40.9Very low43.2Very low77 Ų77138.6 Ų138.664%0.63678%0.776SS**SBendtrans65.783.5158.300000122.9
329T41.1Very low42.6Very low139 Ų139142 Ų14285%0.85379%0.791SS**  trans72.6156.2130.150.30000122
330P39.1Very low42.1Very low118 Ų118140.7 Ų140.777%0.76680%0.798SS**  trans-124.5147.9-144.341-27.8000119.1
331A35.3Very low42Very low102 Ų102141.8 Ų141.884%0.84380%0.802SS**  trans42.2112.3137.800000121.4
332L40.1Very low42.8Very low169 Ų169141.6 Ų141.689%0.88581%0.805SS**  trans-134.7141.2148.7-114.1170.9000109.8
333N35.5Very low43.3Very low145 Ų145135.8 Ų135.878%0.77579%0.787SS**  trans-85.8124.4-165.7-152.4-6000111.5
334L36.5Very low44.7Very low166 Ų166132.7 Ų132.787%0.86977%0.769SS**  trans-133.5102.1-173.6-79.4168.7000111.8
335Q42Very low45.7Very low181 Ų181131 Ų13185%0.84676%0.758SS**  trans-97.3113177.4-70.5178.2-76.100112.2
336R39.4Very low47.4Very low242 Ų242131.7 Ų131.791%0.91375%0.749SS**  trans40.9107.4150.5-67-179.6170.5-120.3-3.5118.9
337T41.7Very low49.4Very low101 Ų101129.3 Ų129.362%0.6272%0.722SS**PPolyproline II helixtrans-86.1148.1135.750.40000109.5
338P47.6Very low51.3Low126 Ų126121.6 Ų121.682%0.81869%0.689SS**PPolyproline II helixtrans-72.4162.7-170.828.8-35.8000114.7
339M44.6Very low53.1Low171 Ų171120.5 Ų120.584%0.84268%0.68SS**PPolyproline II helixtrans-65.7159.8172.8-77.4-76.1-75.400112.2V341M339-V341 PolarHBondContact O-N 2.98Å
340A47.7Very low55.1Low96 Ų96120.7 Ų120.779%0.79367%0.671SS**PPolyproline II helixtrans-61.3119.1170.300000110.7
341V54.3Low57.2Low136 Ų136116.1 Ų116.182%0.82464%0.64SS**PPolyproline II helixtrans-77.8125.7168.8176.60000107.7M339 D343M339-V341 PolarHBondContact O-N 2.98Å; V341-D343 PolarHBondContact O-N 2.96Å
342I60.9Low59.3Low145 Ų145115.2 Ų115.274%0.74462%0.62SS**PPolyproline II helixtrans-69.6121.9170.7-62.4172000107.1S344I342-S344 PolarHBondContact O-N 2.78Å
343D63Low61.3Low77 Ų77111.8 Ų111.841%0.41260%0.602SS.*  trans-68.5104179.8175.717.3000110.5V341 V345 T346 R347V341-D343 PolarHBondContact O-N 2.96Å; D343-V345 PolarHBondContact O-N 2.94Å; D343-V345 WeakPolarHBondContact OD1-CB 3.29Å; D343-V345 PolarHBondContact OD1-N 2.69Å; D343-T346 WeakPolarHBondContact CB-OG1 3.4Å; D343-T346 PolarHBondContact O-OG1 2.87Å; D343-T346 PolarHBondContact OD1-N 2.93Å; D343-T346 WeakPolarHBondContact OD2-CB 3.23Å; D343-T346 WeakPolarHBondContact OD2-CG2 3.29Å; D343-T346 PolarHBondContact OD2-N 3.35Å; D343-T346 PolarHBondContact OD2-OG1 3.33Å; D343-R347 PolarHBondContact O-N 2.77Å
344S69.2Low63.4Low56 Ų56106.5 Ų106.539%0.39258%0.578SS.*Hα-helixtrans-66.8-27.2178.958.60000112.3I342 E348I342-S344 PolarHBondContact O-N 2.78Å; S344-E348 VanDerWaalsContact O-CB 3.27Å; S344-E348 WeakPolarHBondContact O-CB 3.3Å; S344-E348 PolarHBondContact O-N 3.4Å
345V68.2Low65.2Low101 Ų101103.7 Ų103.761%0.61256%0.564SS**Hα-helixtrans-74-42.1-174.6-174.60000110.9D343 E348 A349D343-V345 PolarHBondContact O-N 2.94Å; D343-V345 WeakPolarHBondContact OD1-CB 3.29Å; D343-V345 PolarHBondContact OD1-N 2.69Å; V345-E348 PolarHBondContact O-N 2.65Å; V345-A349 VanDerWaalsContact O-CB 3.31Å; V345-A349 WeakPolarHBondContact O-CB 3.19Å; V345-A349 PolarHBondContact O-N 3.03Å
346T74.3Confident66.9Low82 Ų82102.5 Ų102.550%0.50356%0.558SS.*Hα-helixtrans-70.9-34.7173.845.30000112.9D343 A349 Q350D343-T346 WeakPolarHBondContact CB-OG1 3.4Å; D343-T346 PolarHBondContact O-OG1 2.87Å; D343-T346 PolarHBondContact OD1-N 2.93Å; D343-T346 WeakPolarHBondContact OD2-CB 3.23Å; D343-T346 WeakPolarHBondContact OD2-CG2 3.29Å; D343-T346 PolarHBondContact OD2-N 3.35Å; D343-T346 PolarHBondContact OD2-OG1 3.33Å; T346-A349 PolarHBondContact O-N 3.35Å; T346-Q350 PolarHBondContact O-N 2.86Å
347R76.9Confident68.5Low64 Ų6498.4 Ų98.424%0.24255%0.549CS..Hα-helixtrans-63.3-43171.7-174-179.664.9131.2-2.2111.9D343 Q350 N351 V371 G372 E373D343-R347 PolarHBondContact O-N 2.77Å; R347-Q350 PolarHBondContact O-N 3.09Å; R347-N351 PolarHBondContact O-N 3.48Å; R347-V371 PolarHBondContact NH1-O 2.89Å; R347-G372 VanDerWaalsContact NH1-C 3.33Å; R347-E373 VanDerWaalsContact CZ-O 3.27Å; R347-E373 PolarHBondContact NH1-O 3.14Å; R347-E373 PolarHBondContact NH2-O 3.02Å
348E78.2Confident69.6Low60 Ų6096.7 Ų96.728%0.2854%0.539SS..Hα-helixtrans-68.8-39.1176.8-175.3147.2-126.300111.9S344 V345 Q350 N351 I352 F376S344-E348 VanDerWaalsContact O-CB 3.27Å; S344-E348 WeakPolarHBondContact O-CB 3.3Å; S344-E348 PolarHBondContact O-N 3.4Å; V345-E348 PolarHBondContact O-N 2.65Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.09Å; E348-N351 PolarHBondContact O-N 3.25Å; E348-I352 HydrophobicContact CG-CD1 3.96Å; E348-I352 HydrophobicContact CG-CG1 4.45Å; E348-I352 VanDerWaalsContact O-CG1 3.31Å; E348-I352 WeakPolarHBondContact O-CG1 3.39Å; E348-I352 PolarHBondContact O-N 3.4Å; E348-F376 WeakPolarHBondContact OE1-CD2 3.34Å; E348-F376 VanDerWaalsContact OE2-CD2 3.31Å; E348-F376 WeakPolarHBondContact OE2-CD2 3.36Å; E348-F376 VanDerWaalsContact OE2-CE2 3.25Å; E348-F376 WeakPolarHBondContact OE2-CE2 3.24Å
349A80.1Confident70.6Confident53 Ų5397.5 Ų97.544%0.43853%0.532SS..Hα-helixtrans-59.2-40.217200000112.4V345 T346 I352 L353V345-A349 VanDerWaalsContact O-CB 3.31Å; V345-A349 WeakPolarHBondContact O-CB 3.19Å; V345-A349 PolarHBondContact O-N 3.03Å; T346-A349 PolarHBondContact O-N 3.35Å; A349-I352 PolarHBondContact O-N 2.91Å; A349-L353 WeakPolarHBondContact O-CB 3.38Å; A349-L353 PolarHBondContact O-N 2.95Å
350Q82.7Confident71.4Confident143 Ų14394.7 Ų94.767%0.66852%0.524SS*.Hα-helixtrans-63.6-45.8172.8-77.5-175.4-26.200112.4T346 R347 E348 I352 L353 A354T346-Q350 PolarHBondContact O-N 2.86Å; R347-Q350 PolarHBondContact O-N 3.09Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.09Å; Q350-I352 VanDerWaalsContact C-N 3.33Å; Q350-I352 PolarHBondContact O-N 3.41Å; Q350-L353 PolarHBondContact O-N 3.2Å; Q350-A354 WeakPolarHBondContact O-CB 3.28Å; Q350-A354 PolarHBondContact O-N 3.1Å
351N83Confident71.9Confident23 Ų2395.2 Ų95.212%0.12352%0.52CS..Hα-helixtrans-62.7-38177.2-77.4-26.5000112.1R347 E348 L355 L370 V371R347-N351 PolarHBondContact O-N 3.48Å; E348-N351 PolarHBondContact O-N 3.25Å; N351-L355 WeakPolarHBondContact O-CB 3.42Å; N351-L355 WeakPolarHBondContact O-CG 3.31Å; N351-L355 PolarHBondContact O-N 2.86Å; N351-L370 HydrophobicContact CB-CD2 4.12Å; N351-V371 PolarHBondContact OD1-N 3.39Å
352I79.8Confident72.3Confident83 Ų8397.1 Ų97.143%0.42652%0.524SS..Hα-helixtrans-65.3-43.1174-69.9165.7000111.2E348 A349 Q350 L355 Q356E348-I352 HydrophobicContact CG-CD1 3.96Å; E348-I352 HydrophobicContact CG-CG1 4.45Å; E348-I352 VanDerWaalsContact O-CG1 3.31Å; E348-I352 WeakPolarHBondContact O-CG1 3.39Å; E348-I352 PolarHBondContact O-N 3.4Å; A349-I352 PolarHBondContact O-N 2.91Å; Q350-I352 VanDerWaalsContact C-N 3.33Å; Q350-I352 PolarHBondContact O-N 3.41Å; I352-L355 PolarHBondContact O-N 2.99Å; I352-Q356 WeakPolarHBondContact O-CG 3.28Å; I352-Q356 PolarHBondContact O-N 3.45Å
353L81Confident72.2Confident97 Ų9798 Ų9851%0.50852%0.522SS..Hα-helixtrans-68.4-37.3-179.1-153.8157.6000111.3A349 Q350 Q356 Q357A349-L353 WeakPolarHBondContact O-CB 3.38Å; A349-L353 PolarHBondContact O-N 2.95Å; Q350-L353 PolarHBondContact O-N 3.2Å; L353-Q356 PolarHBondContact O-N 3.04Å; L353-Q357 PolarHBondContact O-N 3.45Å
354A79.5Confident71.8Confident33 Ų3397.8 Ų97.827%0.27354%0.539SS..Hα-helixtrans-61.9-44.8170.200000112.1Q350 Q356 Q357Q350-A354 WeakPolarHBondContact O-CB 3.28Å; Q350-A354 PolarHBondContact O-N 3.1Å; A354-Q356 VanDerWaalsContact C-N 3.29Å; A354-Q356 PolarHBondContact O-N 3.35Å; A354-Q357 PolarHBondContact O-N 3.07Å
355L74.7Confident71.6Confident108 Ų10898.1 Ų98.157%0.56555%0.551SS**Hα-helixtrans-62.2-32.2175.6-81.3163.8000113.3N351 I352 Q357 L370N351-L355 WeakPolarHBondContact O-CB 3.42Å; N351-L355 WeakPolarHBondContact O-CG 3.31Å; N351-L355 PolarHBondContact O-N 2.86Å; I352-L355 PolarHBondContact O-N 2.99Å; L355-Q357 VanDerWaalsContact C-N 3.33Å; L355-Q357 PolarHBondContact O-N 3.16Å; L355-L370 HydrophobicContact CD1-CD2 4.4Å; L355-L370 HydrophobicContact CG-CD2 4.28Å
356Q77.5Confident71.6Confident156 Ų156102.8 Ų102.873%0.72957%0.566SS**Hα-helixtrans-74-18.2178.1-76.2-177.9-5.400114.3I352 L353 A354I352-Q356 WeakPolarHBondContact O-CG 3.28Å; I352-Q356 PolarHBondContact O-N 3.45Å; L353-Q356 PolarHBondContact O-N 3.04Å; A354-Q356 VanDerWaalsContact C-N 3.29Å; A354-Q356 PolarHBondContact O-N 3.35Å
357Q74.1Confident70.9Confident155 Ų155105.3 Ų105.372%0.72458%0.577SS**THydrogen-bonded Turntrans-89.1-10.6-178-72.3-177.1-13.900114.2L353 A354 L355L353-Q357 PolarHBondContact O-N 3.45Å; A354-Q357 PolarHBondContact O-N 3.07Å; L355-Q357 VanDerWaalsContact C-N 3.33Å; L355-Q357 PolarHBondContact O-N 3.16Å
358V64.6Low70.4Confident65 Ų65105.3 Ų105.339%0.39458%0.584SS.*SBendtrans-98.6133.7-173.3-178.50000111.6T368V358-T368 HydrophobicContact CG2-CG2 3.66Å
359Q67.8Low70.1Confident144 Ų144108.2 Ų108.267%0.67361%0.608SS**PPolyproline II helixtrans-69147.3174.8-68.7-171.8400111.4
360T61.3Low69.6Low111 Ų111110.4 Ų110.468%0.68161%0.612SS**PPolyproline II helixtrans-56.6142.2-172.850.40000113.5L362 K363T360-L362 PolarHBondContact O-N 2.89Å; T360-K363 PolarHBondContact O-N 3.2Å
361P59.1Low69Low108 Ų108108.5 Ų108.570%0.70161%0.61SS**G310 helixtrans-69.80-165.226.4-36000115.7K363 G364P361-K363 PolarHBondContact O-N 2.9Å; P361-G364 PolarHBondContact O-N 3.43Å
362L62.8Low68.3Low175 Ų175109.8 Ų109.892%0.91663%0.628SS**G310 helixtrans-59.6-13.7172.1-172.260.1000113T360T360-L362 PolarHBondContact O-N 2.89Å
363K59.2Low67.5Low163 Ų163114.5 Ų114.571%0.70965%0.648SS**G310 helixtrans-100.11.6-175.1-143.5177.6-179.2-175.60115.3T360 P361T360-K363 PolarHBondContact O-N 3.2Å; P361-K363 PolarHBondContact O-N 2.9Å
364G53.9Low66.4Low73 Ų73113.3 Ų113.375%0.75365%0.649SS**  trans73.234.6166.700000117.2P361P361-G364 PolarHBondContact O-N 3.43Å
365G65.2Low65.5Low64 Ų64116.2 Ų116.266%0.6666%0.659SS**PPolyproline II helixtrans-98.9161.4170.200000113
366E68Low64.7Low198 Ų198116.3 Ų116.393%0.92566%0.655SS**PPolyproline II helixtrans-70.2149.9173.5-65.3-176.5120.500112.1
367N60.1Low64.1Low135 Ų135113.4 Ų113.472%0.72265%0.652SS**PPolyproline II helixtrans-81143.3-179.3-64.2-60.6000111.7
368T66.3Low63.8Low64 Ų64108 Ų10839%0.39364%0.638SS.*PPolyproline II helixtrans-64.1137.6170.744.50000111.8V358 L370V358-T368 HydrophobicContact CG2-CG2 3.66Å; T368-L370 PolarHBondContact O-N 3.3Å
369P71.7Confident63.9Low122 Ų122112 Ų11279%0.79266%0.663SS**PPolyproline II helixtrans-69.4125.1-18028-34.2000111.7
370L69.6Low63.2Low98 Ų98110.1 Ų110.151%0.51366%0.661SS.*PPolyproline II helixtrans-86.8140.2175.2-65.2170000110.7N351 L355 T368 G372N351-L370 HydrophobicContact CB-CD2 4.12Å; L355-L370 HydrophobicContact CD1-CD2 4.4Å; L355-L370 HydrophobicContact CG-CD2 4.28Å; T368-L370 PolarHBondContact O-N 3.3Å; L370-G372 PolarHBondContact O-N 3.04Å
371V70.7Confident63Low104 Ų104108.4 Ų108.463%0.6365%0.652SS**  trans-95.398.5-172.4-1770000112R347 N351R347-V371 PolarHBondContact NH1-O 2.89Å; N351-V371 PolarHBondContact OD1-N 3.39Å
372G67.5Low63.1Low49 Ų49112.5 Ų112.551%0.50565%0.653SS.*SBendtrans79.7163172.100000114.8R347 L370R347-G372 VanDerWaalsContact NH1-C 3.33Å; L370-G372 PolarHBondContact O-N 3.04Å
373E62.7Low62.7Low182 Ų182111.9 Ų111.985%0.8565%0.65SS**  trans-62135.5-178.1-59.9-174.115000111.6R347R347-E373 VanDerWaalsContact CZ-O 3.27Å; R347-E373 PolarHBondContact NH1-O 3.14Å; R347-E373 PolarHBondContact NH2-O 3.02Å
374S58.8Low62.5Low73 Ų73109.5 Ų109.551%0.5165%0.651SS.*  trans-97.7132.6177.250.30000111.3F376S374-F376 PolarHBondContact O-N 3.34Å; S374-F376 VanDerWaalsContact O-N 3.16Å
375D60.1Low62.4Low93 Ų93113.6 Ų113.650%0.49766%0.656SS.*SBendtrans-70.5-9.4-178.3-69.6-70.1000113.7S377D375-S377 PolarHBondContact O-N 3.42Å
376F58.2Low61.3Low111 Ų111116.8 Ų116.849%0.48766%0.663SS.*  trans-7639.2177.7-91.4-84.2000114.8E348 S374 G378E348-F376 WeakPolarHBondContact OE1-CD2 3.34Å; E348-F376 VanDerWaalsContact OE2-CD2 3.31Å; E348-F376 WeakPolarHBondContact OE2-CD2 3.36Å; E348-F376 VanDerWaalsContact OE2-CE2 3.25Å; E348-F376 WeakPolarHBondContact OE2-CE2 3.24Å; S374-F376 PolarHBondContact O-N 3.34Å; S374-F376 VanDerWaalsContact O-N 3.16Å; F376-G378 PolarHBondContact O-N 2.78Å; F376-G378 VanDerWaalsContact O-N 3.08Å
377S65.3Low60Low95 Ų95115.3 Ų115.366%0.66466%0.66SS**SBendtrans-70.26.4171.658.20000114.5D375D375-S377 PolarHBondContact O-N 3.42Å
378G67.1Low59.1Low40 Ų40113.5 Ų113.541%0.41266%0.664SS.*SBendtrans-166.1177177.600000112.5F376 T380F376-G378 PolarHBondContact O-N 2.78Å; F376-G378 VanDerWaalsContact O-N 3.08Å; G378-T380 PolarHBondContact O-N 2.82Å; G378-T380 VanDerWaalsContact O-N 3.08Å
379T66.6Low57.9Low150 Ų150117.1 Ų117.192%0.9269%0.686SS**SBendtrans-68.6-1.9-176.835.60000115.4
380T53.6Low56.5Low105 Ų105117.4 Ų117.464%0.64469%0.688SS**SBendtrans-144.9138.6173.152.60000109.1G378G378-T380 PolarHBondContact O-N 2.82Å; G378-T380 VanDerWaalsContact O-N 3.08Å
381P56.6Low55Low74 Ų74120 Ų12048%0.48170%0.703SS.*PPolyproline II helixtrans-62.2150.8174.627.7-35.2000111.2
382R62Low53.5Low195 Ų195120.5 Ų120.574%0.73671%0.706SS**PPolyproline II helixtrans-70.3131.3177.1-70.9-176.2171.3-160.9-2110.5
383L54Low52.2Low161 Ų161125.6 Ų125.684%0.84372%0.721SS**PPolyproline II helixtrans-72139.5171.6-71.191.8000110.5
384P54.7Low51.1Low113 Ų113123.8 Ų123.873%0.73472%0.716SS**PPolyproline II helixtrans-66139.4170.428.2-33.8000110.6T386P384-T386 PolarHBondContact O-N 2.72Å
385N51.5Low50.2Low159 Ų159125.1 Ų125.185%0.8572%0.723SS**  trans-77.1112-169.8-164.717.6000111.8
386T41.5Very low49.1Very low132 Ų132125.7 Ų125.781%0.8173%0.734SS**  trans-92107.7-173.642.40000112.9P384P384-T386 PolarHBondContact O-N 2.72Å
387L40.9Very low48.2Very low166 Ų166128.6 Ų128.687%0.86975%0.749SS**PPolyproline II helixtrans-83129.7170.6-79166.2000111.2
388A42.2Very low46.9Very low97 Ų97131 Ų13180%0.80275%0.753SS**PPolyproline II helixtrans-75.2146-179.700000112.7P390A388-P390 WeakPolarHBondContact O-CD 3.4Å
389T40Very low45.5Very low140 Ų140136.1 Ų136.186%0.85978%0.776SS**PPolyproline II helixtrans-88.1117.1-174.232.60000113.7
390P42.3Very low44.2Very low129 Ų129132.7 Ų132.784%0.83877%0.77SS**PPolyproline II helixtrans-76.9166.7162.333.6-34.2000111.3A388A388-P390 WeakPolarHBondContact O-CD 3.4Å
391N38.6Very low43.5Very low152 Ų152132.2 Ų132.281%0.81378%0.777SS**  trans-130.4162.9-168-169.913.8000112.3
392V40.2Very low42.6Very low115 Ų115135.8 Ų135.870%0.69780%0.798SS**  trans73.3110.6166.2-1670000118.7
393L39.3Very low41.7Very low156 Ų156131.8 Ų131.882%0.81780%0.797SS**  trans-152.3151.3148.7-69.3-176.3000105.4
394L39.2Very low40.9Very low144 Ų144133.4 Ų133.475%0.75480%0.798SS**  cis-166.2179.5-9.6-94.8165.2000105.1
395P40.8Very low40Very low100 Ų100137.8 Ų137.865%0.64980%0.799SS**  cis-133.6-177.3-4238.9-23.6000113.6
396S36.6Very low39.3Very low105 Ų105136.2 Ų136.273%0.73480%0.796SS**  trans72.3150.715684.50000118.7
397Q39.9Very low39.2Very low173 Ų173135.4 Ų135.481%0.80879%0.793SS**  cis-158.7168.8-20.2-119.8-179.212.300109.9
398I37Very low38.9Very low146 Ų146135 Ų13575%0.74979%0.791SS**  trans72.298.7164.5-59.4155.5000118.1
399V38.2Very low38.7Very low146 Ų146134.3 Ų134.389%0.88578%0.781SS**  26.8122.6127.7-171.90000119.9
400G38.4Very low38.5Very low78 Ų78135.6 Ų135.680%0.80478%0.783SS**  trans176.6125.6157.300000112.4
401A38.7Very low38.2Very low95 Ų95136.4 Ų136.479%0.78578%0.778SS**  trans-127.7144.4-172.700000113.9
402T39.5Very low38.1Very low150 Ų150137 Ų13792%0.9278%0.776SS**  trans-156.7117.5155.6200000110.5
403P41.8Very low37.9Very low110 Ų110138.6 Ų138.671%0.71478%0.781SS**  trans-120.1156-176.840.1-31.1000114.9
404F38.8Very low37.9Very low196 Ų196134.3 Ų134.386%0.8678%0.775SS**  trans-158.9106.6152.3-97.6-77.2000109.1
405R34.9Very low37.5Very low204 Ų204134.3 Ų134.377%0.7778%0.781SS**  83.485.195.2-168.3-173.6-118.7-88.41.8113.6
406T37.5Very low37.5Very low127 Ų127134.2 Ų134.278%0.77978%0.78SS**  81.2150.178.4620000116.2
407P39.3Very low37.4Very low115 Ų115136.3 Ų136.375%0.74778%0.783SS**  trans-117.1163.7-154.642-31.7000116.5
408N34.6Very low37.1Very low156 Ų156134.8 Ų134.883%0.83478%0.78SS**  trans173.9173.1152.2-99.41.6000111.9
409S38.1Very low37.1Very low83 Ų83135.3 Ų135.358%0.5878%0.783SS**  cis-176.8108.2-49.856.90000113
410N34Very low37Very low168 Ų168132 Ų13290%0.89878%0.777SS**  trans62.2177.3161-129.315.5000118.8
411I36.6Very low37Very low146 Ų146131.5 Ų131.575%0.74977%0.773SS**  trans72.1106175.7-51.9172.9000113.1
412E36.9Very low37Very low164 Ų164134.7 Ų134.777%0.76678%0.776SS**  78.1128.967.7-78.8-160.2176.800116.9
413N36.9Very low37.1Very low148 Ų148131.6 Ų131.679%0.79177%0.766SS**  trans56.1117149.4-61.2-40.7000121.8
414G38.1Very low36.9Very low67 Ų67134 Ų13469%0.69177%0.773SS**  120.9101.9123.600000121.8
415T31.1Very low36.9Very low143 Ų143131.7 Ų131.788%0.87777%0.77SS**  trans74.5173.1138.71.80000118
416P40.3Very low37Very low99 Ų99128.5 Ų128.564%0.64377%0.773SS**  -133.6-178.5-110.246.2-29.3000118.2
417N33.9Very low37Very low148 Ų148128.2 Ų128.279%0.79177%0.774SS**  trans69156.6168.3-66.6-16.2000115.4
418L35.4Very low36.8Very low142 Ų142126.1 Ų126.174%0.74377%0.773SS**  cis-167.2141.140.9-171.868.8000114.1
419I37.1Very low37.1Very low157 Ų157124.2 Ų124.281%0.80577%0.769SS**  trans65.7141.3152.7-74.3169.9000123
420G35.8Very low36.9Very low75 Ų75127.1 Ų127.177%0.77378%0.777SS**  trans103115.416800000112.8
421G37.9Very low36.8Very low69 Ų69129.7 Ų129.771%0.71177%0.774SS**  cis123.3125.631.800000106.3
422D39.2Very low36.7Very low161 Ų161132.7 Ų132.786%0.86178%0.782SS**  cis-148169.514.3-72.2-43.3000113
423A41.3Very low36.7Very low85 Ų85128 Ų12870%0.70278%0.777SS**  trans49.6133.1147.600000121.3
424N37.9Very low36.7Very low160 Ų160129.5 Ų129.586%0.85678%0.78SS**  cis-156150.73.6-107-22.5000112.3
425N38Very low36.5Very low148 Ų148133.3 Ų133.379%0.79178%0.779SS**  trans-70.8161.9165.3-76.7-57.4000110.2
426T37.4Very low36.8Very low137 Ų137133.9 Ų133.984%0.8477%0.772SS**  -163.6165.471.832.20000114.1
427P38.3Very low36.8Very low122 Ų122139.5 Ų139.579%0.79278%0.782SS**  trans-113.1179.8-152.942.3-33.8000115.2
428G34.9Very low36.9Very low71 Ų71135.8 Ų135.873%0.73278%0.778SS**  trans-100.7159.2168.300000113.6
429P39.9Very low37Very low115 Ų115135 Ų13575%0.74778%0.782SS**  trans-141.3143.6156.935.1-18000116.9
430L33.2Very low37.2Very low145 Ų145133.8 Ų133.876%0.75978%0.784SS**  trans51.8129.7137.6-79.869.3000124.9
431R32.7Very low37.4Very low222 Ų222133.3 Ų133.384%0.83878%0.779SS**  trans61113.9130.5-64.2-177.9177.3-169.5-2.2122.7
432K35.7Very low37.4Very low208 Ų208135.1 Ų135.190%0.90478%0.78SS**  -177.7150.8103.4-94177.6178.8-173.30107.9
433G35.7Very low37.2Very low65 Ų65134.8 Ų134.867%0.6778%0.779SS**  81.6123.375.900000109.9
434E36.4Very low36.9Very low180 Ų180137.3 Ų137.384%0.84179%0.785SS**  cis-155.7176.66.3-134.9146.6121.300114
435Q35.1Very low37Very low147 Ų147135.4 Ų135.469%0.68778%0.782SS**  trans-65.7149-170.6-47.8149.527.800115.5
436H36.7Very low37Very low155 Ų155136 Ų13672%0.71878%0.784SS**  -178.8161.9114.5-101.457.3000114.8
437Y40.1Very low36.9Very low218 Ų218139.3 Ų139.386%0.85578%0.781SS**  trans-55.8166.9178-48.7-105.6000114.4
438G36.5Very low37Very low69 Ų69139.6 Ų139.671%0.71178%0.776SS**  cis170.2160-1.600000111.2
439P37.7Very low37.4Very low127 Ų127147.3 Ų147.383%0.82578%0.783SS**  trans-106.5-176.5-177.942.4-36.4000112.9
440P41.8Very low37.7Very low131 Ų131148.3 Ų148.385%0.85178%0.781SS**  cis-127.3-178.7-10.541.2-26.6000114.1
441G39.8Very low38.2Very low64 Ų64149.2 Ų149.266%0.6679%0.787SS**  trans151.2119150.600000119.8
442S36.4Very low38.6Very low107 Ų107145 Ų14575%0.74878%0.78SS**  trans69.9155.415576.20000121.6
443N34.9Very low38.8Very low155 Ų155142 Ų14283%0.82977%0.774SS**  trans71.2123160.6-57.3-16.9000120.5
444T35.2Very low39.2Very low137 Ų137144.2 Ų144.284%0.8478%0.776SS**  trans-78.1150.9157.848.70000109.3
445P41.3Very low39.3Very low120 Ų120142.1 Ų142.178%0.77977%0.769SS**  -151.2170.987.640.2-21.5000117
446L36.8Very low39.4Very low161 Ų161142.5 Ų142.584%0.84378%0.776SS**  trans8.1132.7150.3-81.2158.7000122.4
447R34.9Very low39.6Very low206 Ų206139 Ų13978%0.77778%0.782SS**  97.4121.2125.9-166.1174.8-178.491.9-5.3120.9
448N40.8Very low39.4Very low128 Ų128135.6 Ų135.668%0.68478%0.779SS**  trans64.2125.2152.2-65.66.2000122.3
449R43.3Very low39.3Very low234 Ų234138.6 Ų138.688%0.88378%0.778SS**  trans-105.1150.7145.2-69.6-174.4-177-166.21.1108.4
450L47.4Very low39.3Very low135 Ų135139.4 Ų139.471%0.70778%0.775SS**  cis-169.5129-27.5-124.1169.1000107.1I452L450-I452 HydrophobicContact CD2-CD1 4.26Å
451N43.4Very low38.9Very low165 Ų165140.2 Ų140.288%0.88277%0.772SS**  trans-175.1125.9144.2-112.727.3000107.4
452I39.8Very low38.8Very low133 Ų133140.4 Ų140.468%0.68277%0.774SS**  trans-141.4144.1-162.6-76176.3000109.6L450L450-I452 HydrophobicContact CD2-CD1 4.26Å
453N41.8Very low38.8Very low146 Ų146143.5 Ų143.578%0.78178%0.781SS**  trans70.9157.1171.2-70.1-3.5000116.8
454P43.9Very low39Very low110 Ų110142.6 Ų142.671%0.71478%0.777SS**  cis-128.5137.713.237.6-19.9000118.3
455I37.3Very low39.1Very low136 Ų136141.6 Ų141.670%0.69777%0.766SS**  71136121.6-134147.8000122.1
456D38.2Very low39Very low155 Ų155142.1 Ų142.183%0.82976%0.762SS**  trans41132.6152.4-56.5-4.7000122.8
457G39.5Very low39Very low82 Ų82143.1 Ų143.185%0.84576%0.762SS**  trans16872.5172.200000113
458N36.8Very low39.3Very low146 Ų146138.3 Ų138.378%0.78176%0.76SS**  trans-80.5151.4-177-148.631.7000112.1
459N35.3Very low39.1Very low132 Ų132141.8 Ų141.871%0.70677%0.772SS**  trans70.5119.1158.3-71.1-6.6000121.3
460L35.9Very low38.6Very low144 Ų144134.7 Ų134.775%0.75477%0.772SS**  87.7132116-164.368.9000120.4
461D34.5Very low38Very low149 Ų149136.5 Ų136.580%0.79778%0.779SS**  trans40.5131.5158.4-61.4-16.3000122.3
462G36.8Very low37.5Very low67 Ų67133.7 Ų133.769%0.69177%0.768SS**  trans145.3103.613800000116.6
463L37.8Very low37.4Very low172 Ų172135.1 Ų135.190%0.90178%0.776SS**  22.2128.2129-51167.8000116.3
464N37.3Very low37.4Very low137 Ų137138.2 Ų138.273%0.73378%0.779SS**  cis-170.8152.649.1-163.811.8000113.2
465N37.8Very low37.2Very low116 Ų116143.7 Ų143.762%0.6279%0.787SS**  trans-13132.7168-72.9-74000121.9
466N39.3Very low37.8Very low130 Ų130141.2 Ų141.270%0.69578%0.775SS**  60.3120.3126.3-49.7-20.4000121.3
467H37.9Very low38.7Very low183 Ų183137.5 Ų137.585%0.84776%0.759SS**  -161.7146.4107.7-104.2-71.5000112.8
468S41.5Very low39.3Very low105 Ų105137.7 Ų137.773%0.73474%0.741SS**  trans50.6102.316455.20000119.9
469E35.8Very low40.6Very low200 Ų200131.9 Ų131.994%0.93572%0.716SS**  trans4.3138133.4-54.7172150.300117.8
470G33.3Very low42.1Very low85 Ų85129.8 Ų129.888%0.87671%0.707SS**  cis167.366.35.700000110.5
471M33.4Very low43.5Very low173 Ų173128.7 Ų128.785%0.85270%0.696SS**  trans-111.1145.6-163.8-151.3-176.5100.200113.1
472V33.3Very low45.3Very low107 Ų107125.2 Ų125.265%0.64868%0.681SS**  trans59.891.5169.9-1600000116
473D37.7Very low46.9Very low162 Ų162127.4 Ų127.487%0.86668%0.676SS**  trans-79.7153.2159.4-150.4-16.7000111
474Y41.3Very low48.5Very low211 Ų211123.9 Ų123.983%0.82766%0.658SS**  trans-79.8155.8-159.4-109.8-120.2000115.2D476Y474-D476 PolarHBondContact O-N 2.84Å
475Y40.2Very low50.1Low225 Ų225126.8 Ų126.888%0.88266%0.659SS**  trans-64.9103171.4-87.1-101.8000111.4P477Y475-P477 VanDerWaalsContact O-CD 3.25Å; Y475-P477 WeakPolarHBondContact O-CD 3.17Å
476D49.4Very low51.8Low84 Ų84128.6 Ų128.645%0.44966%0.661SS.*  trans-75.4114.2169.2172.434000111.8Y474 N478 G479Y474-D476 PolarHBondContact O-N 2.84Å; D476-N478 PolarHBondContact O-N 3.29Å; D476-N478 VanDerWaalsContact OD1-CB 3.28Å; D476-N478 WeakPolarHBondContact OD1-CB 3.41Å; D476-N478 PolarHBondContact OD1-N 3.48Å; D476-N478 PolarHBondContact OD1-ND2 2.65Å; D476-G479 PolarHBondContact O-N 3.44Å; D476-G479 PolarHBondContact OD2-N 3.22Å
477P57.4Low53.4Low77 Ų77125.9 Ų125.950%0.565%0.652SS.*Hα-helixtrans-69.4-12.5176.530.8-36.5000113.2Y475 K481Y475-P477 VanDerWaalsContact O-CD 3.25Å; Y475-P477 WeakPolarHBondContact O-CD 3.17Å; P477-K481 WeakPolarHBondContact O-CD 3.42Å; P477-K481 VanDerWaalsContact O-CG 3.25Å; P477-K481 WeakPolarHBondContact O-CG 3.47Å; P477-K481 PolarHBondContact O-N 3.46Å
478N52.2Low55Low87 Ų87122.2 Ų122.247%0.46564%0.638SS.*Hα-helixtrans-84.3-35179.3-53.4-64.3000112D476 V480 K481 T482D476-N478 PolarHBondContact O-N 3.29Å; D476-N478 VanDerWaalsContact OD1-CB 3.28Å; D476-N478 WeakPolarHBondContact OD1-CB 3.41Å; D476-N478 PolarHBondContact OD1-N 3.48Å; D476-N478 PolarHBondContact OD1-ND2 2.65Å; N478-V480 VanDerWaalsContact C-N 3.27Å; N478-V480 PolarHBondContact O-N 3.42Å; N478-K481 PolarHBondContact O-N 3.34Å; N478-T482 WeakPolarHBondContact O-CB 2.96Å; N478-T482 WeakPolarHBondContact O-CG2 3.37Å; N478-T482 PolarHBondContact O-N 2.88Å; N478-T482 PolarHBondContact O-OG1 2.84Å
479G65.6Low56.4Low24 Ų24121 Ų12125%0.24763%0.634CS.*Hα-helixtrans-57.1-39.5169.300000112.3D476 T482 N483D476-G479 PolarHBondContact O-N 3.44Å; D476-G479 PolarHBondContact OD2-N 3.22Å; G479-T482 WeakPolarHBondContact CA-OG1 3.42Å; G479-T482 PolarHBondContact O-OG1 3.14Å; G479-N483 WeakPolarHBondContact O-CB 3.14Å; G479-N483 PolarHBondContact O-N 3Å; G479-N483 VanDerWaalsContact O-N 3.17Å; G479-N483 PolarHBondContact O-ND2 3.41Å
480V65.6Low58Low87 Ų87118.3 Ų118.353%0.52763%0.626SS.*Hα-helixtrans-68.6-45.9174.2-176.40000111.1N478 T482 L484N478-V480 VanDerWaalsContact C-N 3.27Å; N478-V480 PolarHBondContact O-N 3.42Å; V480-T482 PolarHBondContact O-N 3.34Å; V480-L484 HydrophobicContact CG1-CD1 4.25Å; V480-L484 WeakPolarHBondContact O-CB 3.49Å; V480-L484 PolarHBondContact O-N 2.74Å
481K66.1Low59.5Low122 Ų122117 Ų11753%0.5360%0.599SS.*Hα-helixtrans-64.8-36.7178.5-72167.7-172.6170.40113.6P477 N478 R485P477-K481 WeakPolarHBondContact O-CD 3.42Å; P477-K481 VanDerWaalsContact O-CG 3.25Å; P477-K481 WeakPolarHBondContact O-CG 3.47Å; P477-K481 PolarHBondContact O-N 3.46Å; N478-K481 PolarHBondContact O-N 3.34Å; K481-R485 WeakPolarHBondContact O-CB 3.2Å; K481-R485 PolarHBondContact O-N 3.23Å
482T71.1Confident60.6Low76 Ų76113.8 Ų113.847%0.46659%0.591SS.*Hα-helixtrans-74.9-39.8-179.549.50000111.8N478 G479 V480 R485 K486N478-T482 WeakPolarHBondContact O-CB 2.96Å; N478-T482 WeakPolarHBondContact O-CG2 3.37Å; N478-T482 PolarHBondContact O-N 2.88Å; N478-T482 PolarHBondContact O-OG1 2.84Å; G479-T482 WeakPolarHBondContact CA-OG1 3.42Å; G479-T482 PolarHBondContact O-OG1 3.14Å; V480-T482 PolarHBondContact O-N 3.34Å; T482-R485 PolarHBondContact O-N 2.89Å; T482-K486 PolarHBondContact O-N 3.38Å
483N71.8Confident61.9Low112 Ų112114.2 Ų114.260%0.59959%0.594SS**Hα-helixtrans-65.4-39.9170.4-74.7-54.1000111.8G479 K486 S487G479-N483 WeakPolarHBondContact O-CB 3.14Å; G479-N483 PolarHBondContact O-N 3Å; G479-N483 VanDerWaalsContact O-N 3.17Å; G479-N483 PolarHBondContact O-ND2 3.41Å; N483-K486 PolarHBondContact O-N 2.87Å; N483-S487 WeakPolarHBondContact O-CB 3.32Å; N483-S487 PolarHBondContact O-N 3.09Å
484L70.5Confident62.4Low98 Ų98110.7 Ų110.751%0.51358%0.58SS.*Hα-helixtrans-60.5-45.7170.7-93.7163.6000112.3V480 K486 S487 L488V480-L484 HydrophobicContact CG1-CD1 4.25Å; V480-L484 WeakPolarHBondContact O-CB 3.49Å; V480-L484 PolarHBondContact O-N 2.74Å; L484-K486 PolarHBondContact O-N 2.98Å; L484-S487 PolarHBondContact O-N 3.08Å; L484-L488 WeakPolarHBondContact O-CB 3.13Å; L484-L488 VanDerWaalsContact O-CG 3.22Å; L484-L488 WeakPolarHBondContact O-CG 3.21Å; L484-L488 PolarHBondContact O-N 3Å
485R72Confident62.8Low198 Ų198108.6 Ų108.675%0.74758%0.575SS**Hα-helixtrans-58.9-44.5175.5-87.6-179.5164.8159.7-6112.3K481 T482 L488 A489K481-R485 WeakPolarHBondContact O-CB 3.2Å; K481-R485 PolarHBondContact O-N 3.23Å; T482-R485 PolarHBondContact O-N 2.89Å; R485-L488 PolarHBondContact O-N 3.36Å; R485-A489 WeakPolarHBondContact O-CB 3.45Å; R485-A489 PolarHBondContact O-N 2.8Å
486K72.5Confident63.1Low155 Ų155102.7 Ų102.767%0.67456%0.559SS**Hα-helixtrans-65.7-39175.6-73.3-175.4174-175.70112.7T482 N483 L484 L488 N490T482-K486 PolarHBondContact O-N 3.38Å; N483-K486 PolarHBondContact O-N 2.87Å; L484-K486 PolarHBondContact O-N 2.98Å; K486-L488 VanDerWaalsContact C-N 3.29Å; K486-L488 PolarHBondContact O-N 3.06Å; K486-N490 PolarHBondContact O-N 3.14Å
487S74Confident62.9Low72 Ų72105.3 Ų105.350%0.50357%0.573SS.*Hα-helixtrans-70.7-22.4175.2-170.40000113.8N483 L484N483-S487 WeakPolarHBondContact O-CB 3.32Å; N483-S487 PolarHBondContact O-N 3.09Å; L484-S487 PolarHBondContact O-N 3.08Å
488L70.1Confident62.4Low107 Ų107106.6 Ų106.656%0.5657%0.571SS**Hα-helixtrans-88.5-32.4175.9-72.1168000112.4L484 R485 K486 N490 L491L484-L488 WeakPolarHBondContact O-CB 3.13Å; L484-L488 VanDerWaalsContact O-CG 3.22Å; L484-L488 WeakPolarHBondContact O-CG 3.21Å; L484-L488 PolarHBondContact O-N 3Å; R485-L488 PolarHBondContact O-N 3.36Å; K486-L488 VanDerWaalsContact C-N 3.29Å; K486-L488 PolarHBondContact O-N 3.06Å; L488-N490 VanDerWaalsContact C-N 3.27Å; L488-N490 PolarHBondContact O-N 3.21Å; L488-L491 HydrophobicContact CD2-CD1 4.05Å; L488-L491 PolarHBondContact O-N 3.37Å
489A71.5Confident62.1Low79 Ų79110 Ų11065%0.65358%0.584SS**Hα-helixtrans-68-25.4175.600000113.3R485R485-A489 WeakPolarHBondContact O-CB 3.45Å; R485-A489 PolarHBondContact O-N 2.8Å
490N68.6Low60.9Low143 Ų143114.9 Ų114.977%0.76560%0.603SS**THydrogen-bonded Turntrans-86.41.1176.7-74.47.2000114K486 L488K486-N490 PolarHBondContact O-N 3.14Å; L488-N490 VanDerWaalsContact C-N 3.27Å; L488-N490 PolarHBondContact O-N 3.21Å
491L65.1Low59.4Low58 Ų58118.4 Ų118.430%0.30461%0.612SS.*SBendtrans-78.2131.3169-87.4155.6000109.2L167 L172 L488 T493L167-L491 HydrophobicContact CD2-CD2 4.28Å; L172-L491 HydrophobicContact CD1-CD2 4.14Å; L488-L491 HydrophobicContact CD2-CD1 4.05Å; L488-L491 PolarHBondContact O-N 3.37Å; L491-T493 PolarHBondContact O-N 2.98Å
492P56.2Low58.2Low105 Ų105118.8 Ų118.868%0.68262%0.619SS**PPolyproline II helixtrans-53.3139.1173.1-25.734.5000110.9
493T60.5Low56.7Low117 Ų117120.5 Ų120.572%0.71863%0.631SS**PPolyproline II helixtrans-57.5128.1177.645.30000109.5L491 K495L491-T493 PolarHBondContact O-N 2.98Å; T493-K495 PolarHBondContact O-N 3.11Å
494P49Very low54.7Low88 Ų88122.5 Ų122.557%0.57164%0.642SS**  trans-69.894.9-175.426.9-33.7000109.4N496P494-N496 PolarHBondContact O-N 2.99Å
495K49.6Very low53.2Low166 Ų166124.7 Ų124.772%0.72265%0.65SS**  trans-67.188.7171.3-71.6-169.3176.5-174.80108.1T493 N497T493-K495 PolarHBondContact O-N 3.11Å; K495-N497 PolarHBondContact O-N 2.74Å
496N47.3Very low51.6Low102 Ų102120.9 Ų120.955%0.54565%0.648SS.*  trans-74.643.3-171.5-130.137.1000112.1Q162 P494 F498Q162-N496 PolarHBondContact NE2-OD1 3.48Å; P494-N496 PolarHBondContact O-N 2.99Å; N496-F498 HydrophobicContact CB-CE2 4.29Å; N496-F498 HydrophobicContact CB-CZ 4.43Å; N496-F498 PolarHBondContact O-N 3.46Å; N496-F498 WeakPolarHBondContact OD1-CE2 3.48Å; N496-F498 WeakPolarHBondContact OD1-CZ 3.26Å
497N43.9Very low50Low139 Ų139121.9 Ų121.974%0.74365%0.653SS**  trans-7866.9-175.2-6933.2000110.2K495K495-N497 PolarHBondContact O-N 2.74Å
498F46.6Very low48.3Very low104 Ų104123.7 Ų123.746%0.45666%0.663SS.*  trans-85.1107.5154.3-30.4-57.3000106.1Q162 N496 I500Q162-F498 VanDerWaalsContact CD-CZ 3.47Å; Q162-F498 HydrophobicContact CG-CE1 4.3Å; N496-F498 HydrophobicContact CB-CE2 4.29Å; N496-F498 HydrophobicContact CB-CZ 4.43Å; N496-F498 PolarHBondContact O-N 3.46Å; N496-F498 WeakPolarHBondContact OD1-CE2 3.48Å; N496-F498 WeakPolarHBondContact OD1-CZ 3.26Å; F498-I500 HydrophobicContact CB-CG1 4.11Å; F498-I500 PolarHBondContact O-N 2.99Å
499E46.3Very low46.5Very low157 Ų157124.2 Ų124.273%0.73467%0.666SS**  trans-58.593.6147.9-170.7168.5-142.500105.8F501E499-F501 HydrophobicContact CB-CD2 4.48Å; E499-F501 HydrophobicContact CB-CE2 4.44Å; E499-F501 VanDerWaalsContact CD-CE2 3.44Å; E499-F501 HydrophobicContact CG-CD2 3.92Å; E499-F501 HydrophobicContact CG-CE2 3.64Å; E499-F501 HydrophobicContact CG-CZ 4.32Å; E499-F501 PolarHBondContact O-N 3.04Å; E499-F501 WeakPolarHBondContact OE2-CE2 3.47Å
500I40.3Very low44.8Very low128 Ų128123.6 Ų123.666%0.65667%0.668SS**  trans-7189.9175.9-55.1-179.6000105.5F498 L502F498-I500 HydrophobicContact CB-CG1 4.11Å; F498-I500 PolarHBondContact O-N 2.99Å; I500-L502 HydrophobicContact CG2-CG 4.15Å; I500-L502 PolarHBondContact O-N 2.66Å
501F34.9Very low43.1Very low161 Ų161124.2 Ų124.271%0.70667%0.671SS**  trans-6376.7159.8-84.3-79.9000108.7E499 P503E499-F501 HydrophobicContact CB-CD2 4.48Å; E499-F501 HydrophobicContact CB-CE2 4.44Å; E499-F501 VanDerWaalsContact CD-CE2 3.44Å; E499-F501 HydrophobicContact CG-CD2 3.92Å; E499-F501 HydrophobicContact CG-CE2 3.64Å; E499-F501 HydrophobicContact CG-CZ 4.32Å; E499-F501 PolarHBondContact O-N 3.04Å; E499-F501 WeakPolarHBondContact OE2-CE2 3.47Å; F501-P503 WeakPolarHBondContact O-CD 3.46Å
502L40.2Very low41.8Very low130 Ų130129.1 Ų129.168%0.68170%0.697SS**  trans-49.4119.9146.2-79158.7000105.7I500 D504I500-L502 HydrophobicContact CG2-CG 4.15Å; I500-L502 PolarHBondContact O-N 2.66Å; L502-D504 PolarHBondContact O-N 3.22Å; L502-D504 VanDerWaalsContact O-N 3.12Å
503P38.9Very low40.8Very low112 Ų112128.3 Ų128.373%0.72770%0.7SS**  trans-66.1116.7176.5-20.633.5000108.6F501 E505F501-P503 WeakPolarHBondContact O-CD 3.46Å; P503-E505 PolarHBondContact O-N 2.76Å
504D31.5Very low39.4Very low153 Ų153130.2 Ų130.282%0.81871%0.705SS**  trans-67.576.1172.2-76.5-36.3000110.3L502 T506L502-D504 PolarHBondContact O-N 3.22Å; L502-D504 VanDerWaalsContact O-N 3.12Å; D504-T506 PolarHBondContact O-N 3.37Å
505E38.4Very low38.9Very low145 Ų145133 Ų13368%0.67872%0.716SS**  trans-75.668.8159.4-66.4-113.6121.200108.3K235 P503K235-E505 IonicContact NZ-OE1 2.73Å; K235-E505 PolarHBondContact NZ-OE1 3.31Å; P503-E505 PolarHBondContact O-N 2.76Å
506T37.5Very low38.1Very low117 Ų117133.2 Ų133.272%0.71872%0.724SS**  trans18.3109.3147.955.40000117.4D504D504-T506 PolarHBondContact O-N 3.37Å
507K39.5Very low37.5Very low177 Ų177135.5 Ų135.577%0.7774%0.737SS**  53153.9128.7-93.9-165.2169.9-141.80119.5D509K507-D509 WeakPolarHBondContact CD-OD1 3.28Å; K507-D509 WeakPolarHBondContact CE-OD1 3.33Å; K507-D509 IonicContact NZ-OD1 2.71Å; K507-D509 PolarHBondContact NZ-OD1 2.96Å
508P38.3Very low37Very low109 Ų109136.2 Ų136.271%0.70873%0.733SS**  cis-139.8152.243.336.5-16.1000118.3
509D33.3Very low36.2Very low119 Ų119140.2 Ų140.264%0.63675%0.754SS**  48.4145.9125.2-42.4-31.9000122.2K507K507-D509 WeakPolarHBondContact CD-OD1 3.28Å; K507-D509 WeakPolarHBondContact CE-OD1 3.33Å; K507-D509 IonicContact NZ-OD1 2.71Å; K507-D509 PolarHBondContact NZ-OD1 2.96Å
510G35.3Very low35.5Very low66 Ų66136.1 Ų136.168%0.6875%0.753SS**  trans103.2117.7-173.700000111.6
511D31.9Very low34.9Very low156 Ų156138.1 Ų138.183%0.83476%0.757SS**  cis-173.6-159.9-16.1-98.9-39.3000103.3
512D37.5Very low34.8Very low160 Ų160137.3 Ų137.386%0.85676%0.76SS**  trans62.3101.6-173.4-56.7-30.5000113.9
513A35Very low34.4Very low89 Ų89136.8 Ų136.874%0.73676%0.763SS**  92.5135.55700000113
514D32.9Very low34Very low156 Ų156138.9 Ų138.983%0.83477%0.768SS**  trans31.798.9167.9-58-17.8000119.1
515D38.2Very low34Very low148 Ų148138.5 Ų138.579%0.79176%0.763SS**  -157.5129100.6-127.6-30000112.5
516N32.9Very low33.7Very low169 Ų169137.7 Ų137.790%0.90476%0.763SS**  trans-135.267.6173.5-87.4-74.6000109.5
517N34.7Very low33.5Very low151 Ų151139 Ų13981%0.80776%0.761SS**  trans-154.4167.3165.1-142.5-13.9000114.9
518F32.2Very low33.1Very low153 Ų153136.3 Ų136.367%0.67176%0.764SS**  trans8084.5168.3-145.8-104000118F521F518-F521 HydrophobicContact CE1-CB 3.94Å; F518-F521 HydrophobicContact CZ-CB 4.19Å
519E30.3Very low32.9Very low189 Ų189140 Ų14088%0.88377%0.772SS**  trans-68.2143.5149.3-61.9-170.3135.200110.5
520G30.7Very low32.9Very low70 Ų70143.9 Ų143.972%0.72279%0.786SS**  trans62.498147.700000118.8
521F29.4Very low32.9Very low170 Ų170147.4 Ų147.475%0.74679%0.79SS**  trans-129.7145.2141.5-162.7-108.7000110.8F518 V523F518-F521 HydrophobicContact CE1-CB 3.94Å; F518-F521 HydrophobicContact CZ-CB 4.19Å; F521-V523 HydrophobicContact CE1-CG2 3.84Å; F521-V523 HydrophobicContact CZ-CG2 4.24Å
522N32.6Very low32.9Very low144 Ų144151.6 Ų151.677%0.7779%0.794SS**  trans-82.5179.2179.3-68.5-43000111.1
523V30.4Very low32.7Very low120 Ų120146.9 Ų146.973%0.72778%0.783SS**  151.2129.5122.9164.70000109.1F521F521-V523 HydrophobicContact CE1-CG2 3.84Å; F521-V523 HydrophobicContact CZ-CG2 4.24Å
524D31.9Very low32.5Very low155 Ų155149.4 Ų149.483%0.82979%0.789SS**  trans-72178.3175.9-73.5-82.8000113.4
525M30.1Very low32.4Very low146 Ų146146.6 Ų146.672%0.71979%0.788SS**  trans92.9101163.3-162.1167.617700118.2Q527M525-Q527 HydrophobicContact CE-CB 4.18Å; M525-Q527 VanDerWaalsContact CE-NE2 3.34Å; M525-Q527 PolarHBondContact O-N 2.9Å
526D32.7Very low32.5Very low127 Ų127145.1 Ų145.168%0.67979%0.79SS**  trans-5695.6154.6-103.8-19.8000109.5K550D526-K550 IonicContact OD2-NZ 3.04Å; D526-K550 PolarHBondContact OD2-NZ 3.1Å
527Q33.3Very low33.1Very low146 Ų146145.9 Ų145.968%0.68278%0.78SS**  trans-172.6128.9156.8-110.9144.2106.700113.5M525M525-Q527 HydrophobicContact CE-CB 4.18Å; M525-Q527 VanDerWaalsContact CE-NE2 3.34Å; M525-Q527 PolarHBondContact O-N 2.9Å
528S30.7Very low34.4Very low119 Ų119145.4 Ų145.483%0.83278%0.776SS**  trans57.6143.5-17734.40000114.9
529E35.7Very low35.6Very low186 Ų186141.6 Ų141.687%0.86977%0.766SS**  cis-125.7142.122.8-64.1-177.1136.300113.9
530E33.2Very low37.6Very low201 Ų201136 Ų13694%0.93974%0.742SS**  trans-89.195.7152.9-64.7-178.2134.400108.8
531D34.7Very low39.8Very low140 Ų140138.7 Ų138.775%0.74974%0.736SS**  trans-165.3127.9135.6-142.9-22.8000114.1
532R32.4Very low41.9Very low244 Ų244133.8 Ų133.892%0.92172%0.723SS**SBendtrans161.298133.6-88.2168.5-163.8-146.95.1111.1
533G32.6Very low44Very low62 Ų62127.8 Ų127.864%0.63969%0.691SS**SBendtrans109.5119.2151.900000116.9
534T30.7Very low46Very low141 Ų141126 Ų12687%0.86568%0.677SS**SBendtrans66.790.2157.458.70000118.9
535A31.6Very low48.3Very low97 Ų97122.6 Ų122.680%0.80266%0.659SS**  trans72.5143149.600000118.9R537A535-R537 PolarHBondContact O-N 3.41Å
536S40Very low50.7Low118 Ų118122 Ų12283%0.82565%0.648SS**  trans-61.7101.8177.4-176.60000111I538S536-I538 PolarHBondContact O-N 2.9Å
537R45.6Very low52.8Low184 Ų184121.7 Ų121.769%0.69464%0.643SS**  trans-78.6100.2172.3179.4176169.9159.5-3.1109A535 P539 D543A535-R537 PolarHBondContact O-N 3.41Å; R537-P539 WeakPolarHBondContact O-CD 3.32Å; R537-D543 IonicContact NE-OD2 2.65Å; R537-D543 IonicContact NH2-OD2 3.99Å
538I61.7Low55.2Low142 Ų142117.8 Ų117.873%0.72863%0.632SS**PPolyproline II helixtrans-55.4123.4168.4-58.1173.2000107.9S536 D540S536-I538 PolarHBondContact O-N 2.9Å; I538-D540 PolarHBondContact O-N 2.97Å
539P57.5Low57.5Low72 Ų72118.9 Ų118.947%0.46862%0.624SS.*PPolyproline II helixtrans-58.5131.1176.3-24.534.5000110.7R537 D543R537-P539 WeakPolarHBondContact O-CD 3.32Å; P539-D543 HydrophobicContact CB-CB 4.07Å
540D71.5Confident59.7Low71 Ų71115.9 Ų115.938%0.3861%0.608SS.*PPolyproline II helixtrans-81.6170.6174.873.450.5000111.6I538 S542 D543 L544I538-D540 PolarHBondContact O-N 2.97Å; D540-S542 PolarHBondContact O-N 3.38Å; D540-S542 VanDerWaalsContact O-N 3.16Å; D540-S542 VanDerWaalsContact OD1-CA 3.31Å; D540-S542 WeakPolarHBondContact OD1-CA 3.46Å; D540-S542 VanDerWaalsContact OD1-CB 3.27Å; D540-S542 WeakPolarHBondContact OD1-CB 3.25Å; D540-S542 PolarHBondContact OD1-N 2.94Å; D540-S542 PolarHBondContact OD1-OG 3.43Å; D540-D543 PolarHBondContact N-OD2 3.4Å; D540-D543 WeakPolarHBondContact O-CB 3.31Å; D540-D543 PolarHBondContact O-N 2.8Å; D540-D543 PolarHBondContact OD1-N 3.32Å; D540-D543 VanDerWaalsContact OD1-N 3.11Å; D540-L544 PolarHBondContact O-N 3.23Å; D540-L544 VanDerWaalsContact O-N 3.08Å
541Q77.3Confident62Low127 Ų127113.2 Ų113.259%0.59360%0.595SS**Hα-helixtrans-58.7-30-178.6-173.463.553.700112.4L544 D545Q541-L544 PolarHBondContact O-N 2.96Å; Q541-D545 PolarHBondContact NE2-OD1 3.08Å; Q541-D545 VanDerWaalsContact O-CB 3.32Å; Q541-D545 WeakPolarHBondContact O-CB 3.27Å; Q541-D545 PolarHBondContact O-N 3.15Å
542S73.2Confident64.1Low68 Ų68115.8 Ų115.848%0.47659%0.594SS.*Hα-helixtrans-77.5-28177.278.50000113D540 R546D540-S542 PolarHBondContact O-N 3.38Å; D540-S542 VanDerWaalsContact O-N 3.16Å; D540-S542 VanDerWaalsContact OD1-CA 3.31Å; D540-S542 WeakPolarHBondContact OD1-CA 3.46Å; D540-S542 VanDerWaalsContact OD1-CB 3.27Å; D540-S542 WeakPolarHBondContact OD1-CB 3.25Å; D540-S542 PolarHBondContact OD1-N 2.94Å; D540-S542 PolarHBondContact OD1-OG 3.43Å; S542-R546 WeakPolarHBondContact O-CB 3.31Å; S542-R546 PolarHBondContact O-N 2.92Å
543D76.3Confident66.6Low18 Ų18106.9 Ų106.910%0.09657%0.573CS.*Hα-helixtrans-66.5-42.3168.7-71.2-43.4000111R537 P539 D540 R546 Q547R537-D543 IonicContact NE-OD2 2.65Å; R537-D543 IonicContact NH2-OD2 3.99Å; P539-D543 HydrophobicContact CB-CB 4.07Å; D540-D543 PolarHBondContact N-OD2 3.4Å; D540-D543 WeakPolarHBondContact O-CB 3.31Å; D540-D543 PolarHBondContact O-N 2.8Å; D540-D543 PolarHBondContact OD1-N 3.32Å; D540-D543 VanDerWaalsContact OD1-N 3.11Å; D543-R546 IonicContact OD1-CZ 3.58Å; D543-R546 IonicContact OD1-NH1 2.7Å; D543-R546 PolarHBondContact OD1-NH1 3.24Å; D543-R546 IonicContact OD1-NH2 3.59Å; D543-R546 PolarHBondContact OD1-NH2 3.15Å; D543-Q547 WeakPolarHBondContact O-CG 3.35Å; D543-Q547 PolarHBondContact O-N 3.45Å; D543-Q547 VanDerWaalsContact O-N 3.08Å
544L73.8Confident68.9Low82 Ų82110.7 Ų110.743%0.42957%0.572SS.*Hα-helixtrans-68.4-45.9175.7-68.1174.9000112.9D540 Q541 R546 Q547 S548D540-L544 PolarHBondContact O-N 3.23Å; D540-L544 VanDerWaalsContact O-N 3.08Å; Q541-L544 PolarHBondContact O-N 2.96Å; L544-R546 VanDerWaalsContact C-N 3.28Å; L544-R546 PolarHBondContact O-N 2.99Å; L544-Q547 PolarHBondContact O-N 3.47Å; L544-Q547 VanDerWaalsContact O-N 3.17Å; L544-S548 PolarHBondContact O-N 2.67Å
545D80.7Confident71.5Confident83 Ų83106.7 Ų106.744%0.44455%0.553SS.*Hα-helixtrans-59.1-42.5176.3-70.6-10.4000110.1Q541 Q547 S548 E549Q541-D545 PolarHBondContact NE2-OD1 3.08Å; Q541-D545 VanDerWaalsContact O-CB 3.32Å; Q541-D545 WeakPolarHBondContact O-CB 3.27Å; Q541-D545 PolarHBondContact O-N 3.15Å; D545-Q547 PolarHBondContact O-N 2.91Å; D545-S548 PolarHBondContact O-N 3.15Å; D545-E549 WeakPolarHBondContact O-CG 3.36Å; D545-E549 PolarHBondContact O-N 3.35Å
546R79.8Confident73.8Confident134 Ų134104.7 Ų104.751%0.50654%0.537SS..Hα-helixtrans-64.1-36176.1-174.9-179.871-117.2-1.5113.1S542 D543 L544 K550S542-R546 WeakPolarHBondContact O-CB 3.31Å; S542-R546 PolarHBondContact O-N 2.92Å; D543-R546 IonicContact OD1-CZ 3.58Å; D543-R546 IonicContact OD1-NH1 2.7Å; D543-R546 PolarHBondContact OD1-NH1 3.24Å; D543-R546 IonicContact OD1-NH2 3.59Å; D543-R546 PolarHBondContact OD1-NH2 3.15Å; L544-R546 VanDerWaalsContact C-N 3.28Å; L544-R546 PolarHBondContact O-N 2.99Å; R546-K550 PolarHBondContact O-N 2.75Å
547Q77.3Confident75.6Confident120 Ų120105.8 Ų105.856%0.56153%0.529SS*.Hα-helixtrans-66.1-46173.1-77.8-179.8-14.700111.1D543 L544 D545 E549 K550 E551D543-Q547 WeakPolarHBondContact O-CG 3.35Å; D543-Q547 PolarHBondContact O-N 3.45Å; D543-Q547 VanDerWaalsContact O-N 3.08Å; L544-Q547 PolarHBondContact O-N 3.47Å; L544-Q547 VanDerWaalsContact O-N 3.17Å; D545-Q547 PolarHBondContact O-N 2.91Å; Q547-E549 VanDerWaalsContact C-N 3.31Å; Q547-E549 PolarHBondContact O-N 3.22Å; Q547-K550 PolarHBondContact O-N 3.03Å; Q547-E551 PolarHBondContact O-N 3.2Å
548S82.5Confident77.3Confident65 Ų65102.7 Ų102.746%0.45553%0.525SS..Hα-helixtrans-62.8-36.3176.6-1680000112.3L544 D545 R552L544-S548 PolarHBondContact O-N 2.67Å; D545-S548 PolarHBondContact O-N 3.15Å; S548-R552 WeakPolarHBondContact O-CB 3.3Å; S548-R552 PolarHBondContact O-N 3Å
549E79.6Confident78.1Confident141 Ų141101.7 Ų101.766%0.65952%0.518SS*.Hα-helixtrans-66.4-43.4172.1-73.8-170.8156.700112.8D545 Q547 E551 R552 A553D545-E549 WeakPolarHBondContact O-CG 3.36Å; D545-E549 PolarHBondContact O-N 3.35Å; Q547-E549 VanDerWaalsContact C-N 3.31Å; Q547-E549 PolarHBondContact O-N 3.22Å; E549-E551 PolarHBondContact O-N 3.44Å; E549-R552 PolarHBondContact O-N 3.26Å; E549-A553 WeakPolarHBondContact O-CB 3.48Å; E549-A553 PolarHBondContact O-N 2.86Å
550K81.3Confident79.1Confident123 Ų123103.8 Ų103.854%0.53552%0.516SS..Hα-helixtrans-57.7-46.1173.1-94.8-162.8172.3-1680111.5D526 R546 Q547 A553 K554D526-K550 IonicContact OD2-NZ 3.04Å; D526-K550 PolarHBondContact OD2-NZ 3.1Å; R546-K550 PolarHBondContact O-N 2.75Å; Q547-K550 PolarHBondContact O-N 3.03Å; K550-A553 PolarHBondContact O-N 2.94Å; K550-K554 PolarHBondContact O-N 2.9Å; K550-K554 VanDerWaalsContact O-N 3.08Å
551E81.4Confident79.4Confident145 Ų145103.9 Ų103.968%0.67852%0.523SS*.Hα-helixtrans-66-45.3-179-173.6175.2-138.200111.8Q547 E549 A553 K554 A555Q547-E551 PolarHBondContact O-N 3.2Å; E549-E551 PolarHBondContact O-N 3.44Å; E551-A553 VanDerWaalsContact C-N 3.3Å; E551-A553 PolarHBondContact O-N 3.17Å; E551-K554 PolarHBondContact O-N 3.22Å; E551-A555 PolarHBondContact O-N 2.82Å
552R80.2Confident79.4Confident194 Ų194105.1 Ų105.173%0.73253%0.526SS*.Hα-helixtrans-63.1-34.6175.7-165.9-178.4-147.1146.410.2112.8S548 E549 A556S548-R552 WeakPolarHBondContact O-CB 3.3Å; S548-R552 PolarHBondContact O-N 3Å; E549-R552 PolarHBondContact O-N 3.26Å; R552-A556 WeakPolarHBondContact O-CB 3.5Å; R552-A556 PolarHBondContact O-N 2.98Å; R552-A556 VanDerWaalsContact O-N 3.09Å
553A83.6Confident79.8Confident57 Ų57104.5 Ų104.547%0.47151%0.513SS..Hα-helixtrans-66.5-48.1174.300000111.5E549 K550 E551 A555 A556 E557E549-A553 WeakPolarHBondContact O-CB 3.48Å; E549-A553 PolarHBondContact O-N 2.86Å; K550-A553 PolarHBondContact O-N 2.94Å; E551-A553 VanDerWaalsContact C-N 3.3Å; E551-A553 PolarHBondContact O-N 3.17Å; A553-A555 VanDerWaalsContact C-N 3.31Å; A553-A555 PolarHBondContact O-N 3.34Å; A553-A556 PolarHBondContact O-N 3.29Å; A553-A556 VanDerWaalsContact O-N 3.15Å; A553-E557 WeakPolarHBondContact O-CB 3.45Å; A553-E557 PolarHBondContact O-N 2.88Å
554K82.1Confident80.2Confident143 Ų143104.1 Ų104.162%0.62251%0.512SS*.Hα-helixtrans-58.5-40.7174.8-77.2-170172.4-172.10112.5K550 E551 E557 L558K550-K554 PolarHBondContact O-N 2.9Å; K550-K554 VanDerWaalsContact O-N 3.08Å; E551-K554 PolarHBondContact O-N 3.22Å; K554-E557 PolarHBondContact O-N 3.04Å; K554-L558 WeakPolarHBondContact O-CG 3.36Å; K554-L558 PolarHBondContact O-N 3.36Å
555A83.9Confident80.7Confident57 Ų57105.5 Ų105.547%0.47152%0.517SS..Hα-helixtrans-62.1-43.6175.200000112.3E551 A553 E559E551-A555 PolarHBondContact O-N 2.82Å; A553-A555 VanDerWaalsContact C-N 3.31Å; A553-A555 PolarHBondContact O-N 3.34Å; A555-E559 WeakPolarHBondContact O-CB 3.33Å; A555-E559 PolarHBondContact O-N 3.2Å
556A80.6Confident80.9Confident55 Ų55104.3 Ų104.346%0.45551%0.512SS..Hα-helixtrans-67.6-33177.100000113.1R552 A553 W560R552-A556 WeakPolarHBondContact O-CB 3.5Å; R552-A556 PolarHBondContact O-N 2.98Å; R552-A556 VanDerWaalsContact O-N 3.09Å; A553-A556 PolarHBondContact O-N 3.29Å; A553-A556 VanDerWaalsContact O-N 3.15Å; A556-W560 WeakPolarHBondContact O-CB 3.46Å; A556-W560 PolarHBondContact O-N 2.71Å
557E78.4Confident81.1Confident140 Ų14098 Ų9865%0.65449%0.488SS*.Hα-helixtrans-70.8-42.9175.9-175.7166-137.200112.1A553 K554 W560 S561A553-E557 WeakPolarHBondContact O-CB 3.45Å; A553-E557 PolarHBondContact O-N 2.88Å; K554-E557 PolarHBondContact O-N 3.04Å; E557-W560 PolarHBondContact O-N 3.19Å; E557-W560 VanDerWaalsContact O-N 3.09Å; E557-S561 PolarHBondContact O-N 3.45Å
558L80.2Confident81.5Confident119 Ų11997.9 Ų97.962%0.62348%0.483SS*.Hα-helixtrans-61.8-41.7171.1-73.8168.9000111.8K554 W560 S561 K562K554-L558 WeakPolarHBondContact O-CG 3.36Å; K554-L558 PolarHBondContact O-N 3.36Å; L558-W560 VanDerWaalsContact C-N 3.28Å; L558-W560 PolarHBondContact O-N 3.37Å; L558-S561 PolarHBondContact O-N 1.87Å; L558-K562 WeakPolarHBondContact O-CG 3.49Å; L558-K562 PolarHBondContact O-N 3.38Å
559E79Confident81.6Confident121 Ų121102.8 Ų102.857%0.56549%0.492SS*.Hα-helixtrans-61.9-32.9170.9-93.4-161.3-166.300113.3A555 R563A555-E559 WeakPolarHBondContact O-CB 3.33Å; A555-E559 PolarHBondContact O-N 3.2Å; E559-R563 WeakPolarHBondContact O-CD 3.19Å; E559-R563 WeakPolarHBondContact O-CG 3.37Å; E559-R563 PolarHBondContact O-NE 3.24Å; E559-R563 IonicContact OE2-NH2 2.75Å; E559-R563 PolarHBondContact OE2-NH2 2.58Å
560W77.6Confident81.6Confident116 Ų116100.7 Ų100.744%0.43949%0.492SS..Hα-helixtrans-76.1-40.1179.3-173.5-100.2000111.9A556 E557 L558 K562 R563 V567A556-W560 WeakPolarHBondContact O-CB 3.46Å; A556-W560 PolarHBondContact O-N 2.71Å; E557-W560 PolarHBondContact O-N 3.19Å; E557-W560 VanDerWaalsContact O-N 3.09Å; L558-W560 VanDerWaalsContact C-N 3.28Å; L558-W560 PolarHBondContact O-N 3.37Å; W560-K562 VanDerWaalsContact C-N 3.31Å; W560-K562 PolarHBondContact O-N 3.07Å; W560-R563 WeakPolarHBondContact O-CB 3.49Å; W560-R563 PolarHBondContact O-N 2.81Å; W560-V567 HydrophobicContact CH2-CG1 3.91Å; W560-V567 HydrophobicContact CZ2-CG1 4.42Å; W560-V567 HydrophobicContact CZ3-CG1 4.14Å
561S79.1Confident81.6Confident74 Ų7498.9 Ų98.952%0.51749%0.488SS..Hα-helixtrans-59.9-40.6177-168.30000112.2E557 L558 R563 R568E557-S561 PolarHBondContact O-N 3.45Å; L558-S561 PolarHBondContact O-N 1.87Å; S561-R563 PolarHBondContact O-N 3.06Å; S561-R563 VanDerWaalsContact O-N 3.09Å; S561-R568 PolarHBondContact O-NE 3.33Å
562K77.7Confident81.4Confident152 Ų15297.5 Ų97.566%0.66149%0.492SS*.THydrogen-bonded Turntrans-66.1-2.8176.7-72.4-178.7175.7-166.60115.6L558 W560L558-K562 WeakPolarHBondContact O-CG 3.49Å; L558-K562 PolarHBondContact O-N 3.38Å; W560-K562 VanDerWaalsContact C-N 3.31Å; W560-K562 PolarHBondContact O-N 3.07Å
563R81.4Confident81.5Confident55 Ų5589.9 Ų89.921%0.20846%0.463CS..SBendtrans-88.7157.2-177.2-65.9166.6-161.8-156.84.6111.8E559 W560 S561 V567 R568 N624E559-R563 WeakPolarHBondContact O-CD 3.19Å; E559-R563 WeakPolarHBondContact O-CG 3.37Å; E559-R563 PolarHBondContact O-NE 3.24Å; E559-R563 IonicContact OE2-NH2 2.75Å; E559-R563 PolarHBondContact OE2-NH2 2.58Å; W560-R563 WeakPolarHBondContact O-CB 3.49Å; W560-R563 PolarHBondContact O-N 2.81Å; S561-R563 PolarHBondContact O-N 3.06Å; S561-R563 VanDerWaalsContact O-N 3.09Å; R563-V567 HydrophobicContact CB-CB 4.17Å; R563-V567 HydrophobicContact CB-CG1 3.93Å; R563-V567 HydrophobicContact CG-CG1 4.49Å; R563-R568 PolarHBondContact O-NE 2.96Å; R563-N624 PolarHBondContact NH1-OD1 2.78Å
564S83.9Confident81.3Confident11 Ų1190 Ų908%0.07746%0.459CS..  trans-52.8149.7179.778.10000111.7V566 V567 R568 D620S564-V566 PolarHBondContact O-N 2.7Å; S564-V566 VanDerWaalsContact O-N 3.14Å; S564-V566 PolarHBondContact OG-N 3.14Å; S564-V567 PolarHBondContact O-N 3.17Å; S564-V567 PolarHBondContact OG-N 2.81Å; S564-V567 VanDerWaalsContact OG-N 3.11Å; S564-R568 PolarHBondContact O-N 3.15Å; S564-D620 WeakPolarHBondContact CB-OD2 3.35Å; S564-D620 PolarHBondContact OG-OD2 2.83Å
565Q83.9Confident80.9Confident111 Ų11183.6 Ų83.652%0.51943%0.432SS..Hα-helixtrans-56.6-30.4174.1-76.2-153.628.700111.9R568 R569Q565-R568 PolarHBondContact O-N 3.01Å; Q565-R569 VanDerWaalsContact O-CB 3.27Å; Q565-R569 WeakPolarHBondContact O-CB 3.34Å; Q565-R569 PolarHBondContact O-N 2.91Å
566V85.8Confident80.6Confident57 Ų5783.4 Ų83.435%0.34543%0.431SS..Hα-helixtrans-67.1-36.4178.7-168.30000111.6S564 S570 L571 R573S564-V566 PolarHBondContact O-N 2.7Å; S564-V566 VanDerWaalsContact O-N 3.14Å; S564-V566 PolarHBondContact OG-N 3.14Å; V566-S570 PolarHBondContact O-N 3.28Å; V566-L571 HydrophobicContact CG1-CB 3.9Å; V566-L571 PolarHBondContact O-N 3.07Å; V566-R573 HydrophobicContact CG1-CG 3.61Å
567V84.1Confident80.7Confident2 Ų281.7 Ų81.71%0.01241%0.414CS..Hα-helixtrans-72.4-50.9170.1168.80000111W560 R563 S564 R569 S570 D620 N624W560-V567 HydrophobicContact CH2-CG1 3.91Å; W560-V567 HydrophobicContact CZ2-CG1 4.42Å; W560-V567 HydrophobicContact CZ3-CG1 4.14Å; R563-V567 HydrophobicContact CB-CB 4.17Å; R563-V567 HydrophobicContact CB-CG1 3.93Å; R563-V567 HydrophobicContact CG-CG1 4.49Å; S564-V567 PolarHBondContact O-N 3.17Å; S564-V567 PolarHBondContact OG-N 2.81Å; S564-V567 VanDerWaalsContact OG-N 3.11Å; V567-R569 VanDerWaalsContact C-N 3.34Å; V567-R569 PolarHBondContact O-N 3.14Å; V567-S570 PolarHBondContact O-N 3Å; V567-D620 HydrophobicContact CG2-CB 4.32Å; V567-D620 VanDerWaalsContact CG2-CG 3.46Å; V567-D620 WeakPolarHBondContact CG2-OD1 3.42Å; V567-D620 WeakPolarHBondContact CG2-OD2 3.48Å; V567-N624 HydrophobicContact CG1-CB 4.13Å; V567-N624 HydrophobicContact CG2-CB 3.81Å
568R85.3Confident80.7Confident117 Ų11778.9 Ų78.944%0.44240%0.404SS..Hα-helixtrans-58.9-41.7-177.7-72.7-169.6-83.8152.3-9.7112.7S561 R563 S564 Q565 S570S561-R568 PolarHBondContact O-NE 3.33Å; R563-R568 PolarHBondContact O-NE 2.96Å; S564-R568 PolarHBondContact O-N 3.15Å; Q565-R568 PolarHBondContact O-N 3.01Å; R568-S570 VanDerWaalsContact C-N 3.28Å; R568-S570 PolarHBondContact O-N 2.81Å
569R83.9Confident80.6Confident169 Ų16977.4 Ų77.464%0.63839%0.394SS*.THydrogen-bonded Turntrans-82.55.7175.6-68.2179.7140.2136.8-5.7114.1Q565 V567 L571Q565-R569 VanDerWaalsContact O-CB 3.27Å; Q565-R569 WeakPolarHBondContact O-CB 3.34Å; Q565-R569 PolarHBondContact O-N 2.91Å; V567-R569 VanDerWaalsContact C-N 3.34Å; V567-R569 PolarHBondContact O-N 3.14Å; R569-L571 HydrophobicContact CB-CD1 4.24Å; R569-L571 HydrophobicContact CB-CG 3.98Å; R569-L571 PolarHBondContact O-N 2.66Å; R569-L571 VanDerWaalsContact O-N 3.15Å
570S80.3Confident80.5Confident96 Ų9677 Ų7767%0.67140%0.399SS*.THydrogen-bonded Turntrans52.832.1179.2-640000114.9V566 V567 R568V566-S570 PolarHBondContact O-N 3.28Å; V567-S570 PolarHBondContact O-N 3Å; R568-S570 VanDerWaalsContact C-N 3.28Å; R568-S570 PolarHBondContact O-N 2.81Å
571L81Confident80.3Confident85 Ų8574.9 Ų74.945%0.44540%0.396SS..  trans-72.5154-176.8-66.8174.7000111.7V566 R569 R573V566-L571 HydrophobicContact CG1-CB 3.9Å; V566-L571 PolarHBondContact O-N 3.07Å; R569-L571 HydrophobicContact CB-CD1 4.24Å; R569-L571 HydrophobicContact CB-CG 3.98Å; R569-L571 PolarHBondContact O-N 2.66Å; R569-L571 VanDerWaalsContact O-N 3.15Å; L571-R573 PolarHBondContact O-N 2.96Å; L571-R573 PolarHBondContact O-NH1 3.26Å
572P77.8Confident79.8Confident117 Ų11773.5 Ų73.576%0.7638%0.382SS*.  trans-61.3123.9178-21.733.4000112
573R82.5Confident79.3Confident34 Ų3473.2 Ų73.213%0.12838%0.377CS..  trans-112.4144.5175.9-63-178-62.7-74.88111.1V566 L571 N624 P626V566-R573 HydrophobicContact CG1-CG 3.61Å; L571-R573 PolarHBondContact O-N 2.96Å; L571-R573 PolarHBondContact O-NH1 3.26Å; R573-N624 PolarHBondContact NH2-O 3.49Å; R573-P626 HydrophobicContact CB-CB 4.17Å; R573-P626 HydrophobicContact CB-CG 4.46Å
574P77.9Confident77.9Confident60 Ų6077.8 Ų77.839%0.3941%0.406SS..  trans-72.9139.1174.531.3-34.5000111.2M617 N621P574-M617 HydrophobicContact CG-CE 4.11Å; P574-M617 HydrophobicContact CG-SD 3.96Å; P574-N621 PolarHBondContact O-ND2 2.93Å; P574-N621 PolarHBondContact O-OD1 2.85Å
575S74.8Confident76.1Confident8 Ų882.7 Ų82.76%0.05643%0.43CS..SBendtrans-80.5-24.9177.461.70000113.8D632 L659S575-D632 WeakPolarHBondContact OG-CB 3.48Å; S575-D632 PolarHBondContact OG-OD2 2.93Å; S575-L659 WeakPolarHBondContact O-CD2 3.46Å
576A77.8Confident73.7Confident53 Ų5383.4 Ų83.444%0.43844%0.444SS..SBendtrans-115.2124.9173.400000108.2
577V81.6Confident71.3Confident19 Ų1983 Ų8312%0.11545%0.451CS..  trans-83.3133.9-179.8-174.90000108.8V614 M617 H618V577-V614 HydrophobicContact CG1-CG1 4.11Å; V577-V614 HydrophobicContact CG1-CG2 4.41Å; V577-M617 HydrophobicContact CG1-CB 3.99Å; V577-M617 HydrophobicContact CG1-SD 4.07Å; V577-M617 HydrophobicContact CG2-CB 3.78Å; V577-H618 WeakPolarHBondContact CB-NE2 3.35Å
578N79Confident69.1Low81 Ų8187.1 Ų87.143%0.43348%0.48SS..  trans-92.7104.3-178.2-175.523.1000111.5T580 I581N578-T580 VanDerWaalsContact C-N 3.27Å; N578-T580 PolarHBondContact ND2-OG1 3.12Å; N578-T580 PolarHBondContact O-N 2.77Å; N578-T580 WeakPolarHBondContact OD1-CG2 3.49Å; N578-T580 PolarHBondContact OD1-N 3.03Å; N578-T580 VanDerWaalsContact OD1-N 3.16Å; N578-T580 PolarHBondContact OD1-OG1 3.38Å; N578-I581 HydrophobicContact CB-CD1 4.38Å; N578-I581 WeakPolarHBondContact O-CG1 3.45Å
579H79.1Confident67.2Low88 Ų8887.8 Ų87.841%0.40750%0.497SS..G310 helixtrans-71.9-13.8177.8-60.8-70.9000114.2I581 L582 H618 F666H579-I581 PolarHBondContact O-N 3.02Å; H579-L582 PolarHBondContact O-N 3.24Å; H579-H618 AromaticContact CE1-CE1 3.79Å; H579-H618 AromaticContact CE1-NE2 3.34Å; H579-H618 PolarHBondContact CE1-NE2 2.95Å; H579-H618 VanDerWaalsContact CE1-NE2 3.34Å; H579-H618 AromaticContact NE2-CE1 3.97Å; H579-H618 AromaticContact NE2-NE2 3.73Å; H579-F666 AromaticContact CE1-CE2 3.99Å
580T76.4Confident65.3Low111 Ų11186.5 Ų86.568%0.68150%0.503SS*.G310 helixtrans-71.47.3179.579.90000114.4N578N578-T580 VanDerWaalsContact C-N 3.27Å; N578-T580 PolarHBondContact ND2-OG1 3.12Å; N578-T580 PolarHBondContact O-N 2.77Å; N578-T580 WeakPolarHBondContact OD1-CG2 3.49Å; N578-T580 PolarHBondContact OD1-N 3.03Å; N578-T580 VanDerWaalsContact OD1-N 3.16Å; N578-T580 PolarHBondContact OD1-OG1 3.38Å
581I72.3Confident63.5Low73 Ų7389.4 Ų89.437%0.37451%0.506SS..G310 helixtrans-83.8-27173.9-58.5172.5000110.2N578 H579 K610 M613N578-I581 HydrophobicContact CB-CD1 4.38Å; N578-I581 WeakPolarHBondContact O-CG1 3.45Å; H579-I581 PolarHBondContact O-N 3.02Å; I581-K610 HydrophobicContact CG2-CB 4.32Å; I581-K610 HydrophobicContact CG2-CD 4.17Å; I581-K610 HydrophobicContact CG2-CG 3.96Å; I581-M613 HydrophobicContact CD1-CE 4.27Å; I581-M613 HydrophobicContact CG2-CE 4.2Å
582L69.7Low61.8Low44 Ų4490.7 Ų90.723%0.2351%0.513CS..SBendtrans-85.6145.7174.7-57170.9000110.1H579 N584 K610 Q611 V614H579-L582 PolarHBondContact O-N 3.24Å; L582-N584 PolarHBondContact O-N 2.83Å; L582-K610 HydrophobicContact CD2-CB 3.74Å; L582-Q611 HydrophobicContact CD2-CB 4.28Å; L582-V614 HydrophobicContact CD1-CG2 4.46Å
583R66.7Low60.6Low147 Ų14790 Ų9056%0.55551%0.511SS*.  trans-63.2132.7163.4-72.7-173.7178.1-1676.3109.8I585 M599 E607R583-I585 PolarHBondContact O-N 3.48Å; R583-M599 PolarHBondContact NH1-SD 2.85Å; R583-E607 WeakPolarHBondContact CG-OE1 3.32Å; R583-E607 PolarHBondContact N-OE1 3.1Å
584N52.3Low59Low150 Ų15096.1 Ų96.180%0.80254%0.541SS*.  trans-64.298.3176.9-77.539.1000111.5L582 P586L582-N584 PolarHBondContact O-N 2.83Å; N584-P586 WeakPolarHBondContact O-CD 3.28Å
585I44.8Very low57.7Low114 Ų11499.8 Ų99.859%0.58555%0.553SS**  trans-94.6111.3166.1-59177.4000108.6R583 G587R583-I585 PolarHBondContact O-N 3.48Å; I585-G587 PolarHBondContact O-N 2.68Å
586P34.6Very low56.8Low126 Ų126102.4 Ų102.482%0.81857%0.566SS**  trans-80.575.7-175.3-1533000114.1N584N584-P586 WeakPolarHBondContact O-CD 3.28Å
587G35.4Very low56Low48 Ų48103.9 Ų103.950%0.49558%0.578SS.*SBendtrans94.9140.1153.200000118.2I585I585-G587 PolarHBondContact O-N 2.68Å
588S37.3Very low55.3Low89 Ų89109.8 Ų109.862%0.62261%0.609SS**  trans70.5130.1174.7-162.90000116.8N590S588-N590 PolarHBondContact O-N 3.3Å
589V45.9Very low55Low131 Ų131107.4 Ų107.479%0.79460%0.596SS**THydrogen-bonded Turntrans-64-7.2179.8-174.80000112.9
590N43.5Very low55.2Low142 Ų142107.1 Ų107.176%0.75960%0.6SS**THydrogen-bonded Turntrans-103.816.1-170.5-66.4-27.7000115.5S588S588-N590 PolarHBondContact O-N 3.3Å
591Q42.4Very low55.4Low157 Ų157107.2 Ų107.273%0.73460%0.597SS**  trans-127.323.6178.5-66.4-162.77.100115.4S593Q591-S593 PolarHBondContact O-N 2.88Å
592L45.4Very low55.8Low112 Ų112109.7 Ų109.759%0.58661%0.61SS**THydrogen-bonded Turntrans-61.9-12.4-178.4-164.262.9000114.8Q594 D596L592-Q594 PolarHBondContact O-N 3.16Å; L592-D596 WeakPolarHBondContact CD1-OD2 3.42Å; L592-D596 WeakPolarHBondContact CG-OD2 3.41Å
593S52.7Low56.4Low104 Ų104110.6 Ų110.673%0.72761%0.613SS**THydrogen-bonded Turntrans-84.32.2-161.254.50000117.6Q591Q591-S593 PolarHBondContact O-N 2.88Å
594Q50.4Low57Low162 Ų162107.1 Ų107.176%0.75760%0.602SS**THydrogen-bonded Turntrans-128.5-12.6-173.1-67.8-168.5-2.100117.2L592L592-Q594 PolarHBondContact O-N 3.16Å
595Q50.4Low58.5Low137 Ų137102.3 Ų102.364%0.6458%0.583SS**THydrogen-bonded Turntrans-107.5-32.8176.6-65.5-169.21.900112.6A597 N598Q595-A597 PolarHBondContact O-N 3.36Å; Q595-A597 VanDerWaalsContact O-N 3.12Å; Q595-N598 PolarHBondContact O-N 2.75Å
596D56Low60.3Low62 Ų62101.2 Ų101.233%0.33258%0.575SS.*G310 helixtrans-56.2-27.1175.8-68.832.9000113.7L592 N598 M599 K604L592-D596 WeakPolarHBondContact CD1-OD2 3.42Å; L592-D596 WeakPolarHBondContact CG-OD2 3.41Å; D596-N598 PolarHBondContact O-N 2.8Å; D596-M599 PolarHBondContact O-N 3.25Å; D596-K604 WeakPolarHBondContact O-CE 3.3Å
597A61.1Low62.5Low84 Ų8496.8 Ų96.869%0.69454%0.544SS*.G310 helixtrans-62.3-22.6176.300000113.9Q595Q595-A597 PolarHBondContact O-N 3.36Å; Q595-A597 VanDerWaalsContact O-N 3.12Å
598N66.8Low64.8Low144 Ų144100 Ų10077%0.7755%0.549SS*.G310 helixtrans-103.20.6-178.7-68.4-23.8000113.5Q595 D596Q595-N598 PolarHBondContact O-N 2.75Å; D596-N598 PolarHBondContact O-N 2.8Å
599M71.9Confident67Low30 Ų30101.2 Ų101.215%0.14855%0.547CS..SBendtrans-89.5133.2179.7-66.5-72.4-83.600110.3R583 D596 Q603 K604R583-M599 PolarHBondContact NH1-SD 2.85Å; D596-M599 PolarHBondContact O-N 3.25Å; M599-Q603 HydrophobicContact CB-CB 4.49Å; M599-Q603 HydrophobicContact CE-CB 3.69Å; M599-Q603 HydrophobicContact SD-CB 4.32Å; M599-K604 HydrophobicContact CB-CG 3.77Å; M599-K604 WeakPolarHBondContact O-CE 3.31Å; M599-K604 PolarHBondContact O-NZ 3.15Å
600T83.4Confident68.9Low82 Ų8297 Ų9750%0.50352%0.518SS..  trans-63.7148.5167.4-42.30000109.3L602 Q603 K604T600-L602 HydrophobicContact CG2-CB 4.49Å; T600-L602 PolarHBondContact O-N 2.81Å; T600-Q603 VanDerWaalsContact N-OE1 3.15Å; T600-Q603 WeakPolarHBondContact O-CA 3.22Å; T600-Q603 VanDerWaalsContact O-CB 3.29Å; T600-Q603 WeakPolarHBondContact O-CB 3.32Å; T600-Q603 PolarHBondContact O-N 2.97Å; T600-K604 PolarHBondContact O-N 2.93Å
601D80.8Confident70.9Confident113 Ų11394.7 Ų94.760%0.60450%0.503SS*.Hα-helixtrans-62.3-32.7-176.1-55.5-53.4000112.9Q603 K604 A605D601-Q603 VanDerWaalsContact C-N 3.29Å; D601-Q603 PolarHBondContact O-N 3.24Å; D601-K604 WeakPolarHBondContact O-CB 3.09Å; D601-K604 PolarHBondContact O-N 3.22Å; D601-K604 IonicContact OD1-NZ 2.74Å; D601-K604 PolarHBondContact OD1-NZ 3.4Å; D601-A605 PolarHBondContact O-N 2.88Å
602L81.2Confident72.9Confident125 Ų12592.2 Ų92.265%0.65449%0.491SS*.Hα-helixtrans-53.7-43.8166.2-174.379000112.5T600 A605 E606T600-L602 HydrophobicContact CG2-CB 4.49Å; T600-L602 PolarHBondContact O-N 2.81Å; L602-A605 PolarHBondContact O-N 3.27Å; L602-E606 WeakPolarHBondContact O-CB 2.95Å; L602-E606 PolarHBondContact O-N 2.89Å
603Q82.2Confident74.8Confident64 Ų6490.5 Ų90.530%0.29948%0.481SS..Hα-helixtrans-72.9-28.5-179.4-60.5171.7-12.400111.9M599 T600 D601 E607M599-Q603 HydrophobicContact CB-CB 4.49Å; M599-Q603 HydrophobicContact CE-CB 3.69Å; M599-Q603 HydrophobicContact SD-CB 4.32Å; T600-Q603 VanDerWaalsContact N-OE1 3.15Å; T600-Q603 WeakPolarHBondContact O-CA 3.22Å; T600-Q603 VanDerWaalsContact O-CB 3.29Å; T600-Q603 WeakPolarHBondContact O-CB 3.32Å; T600-Q603 PolarHBondContact O-N 2.97Å; D601-Q603 VanDerWaalsContact C-N 3.29Å; D601-Q603 PolarHBondContact O-N 3.24Å; Q603-E607 WeakPolarHBondContact O-CB 3.34Å; Q603-E607 PolarHBondContact O-N 3.48Å
604K79.4Confident76.5Confident74 Ų7485.7 Ų85.732%0.32245%0.447SS..Hα-helixtrans-69.8-48.6172.1-61.2173.9-169.9151.10110.5D596 M599 T600 D601 E606 E607 L608D596-K604 WeakPolarHBondContact O-CE 3.3Å; M599-K604 HydrophobicContact CB-CG 3.77Å; M599-K604 WeakPolarHBondContact O-CE 3.31Å; M599-K604 PolarHBondContact O-NZ 3.15Å; T600-K604 PolarHBondContact O-N 2.93Å; D601-K604 WeakPolarHBondContact O-CB 3.09Å; D601-K604 PolarHBondContact O-N 3.22Å; D601-K604 IonicContact OD1-NZ 2.74Å; D601-K604 PolarHBondContact OD1-NZ 3.4Å; K604-E606 PolarHBondContact O-N 3.25Å; K604-E607 PolarHBondContact O-N 3.37Å; K604-E607 VanDerWaalsContact O-N 3.15Å; K604-L608 WeakPolarHBondContact O-CG 3.36Å; K604-L608 PolarHBondContact O-N 2.96Å
605A82.5Confident78.3Confident48 Ų4878.7 Ų78.740%0.39742%0.416SS..Hα-helixtrans-59.4-45.9176.400000111.7D601 L602 E607 L608 I609D601-A605 PolarHBondContact O-N 2.88Å; L602-A605 PolarHBondContact O-N 3.27Å; A605-E607 VanDerWaalsContact C-N 3.31Å; A605-E607 PolarHBondContact O-N 2.91Å; A605-L608 PolarHBondContact O-N 3.46Å; A605-I609 WeakPolarHBondContact O-CD1 3.38Å; A605-I609 VanDerWaalsContact O-CG1 3.26Å; A605-I609 WeakPolarHBondContact O-CG1 3.35Å; A605-I609 PolarHBondContact O-N 3.27Å
606E82.2Confident80Confident91 Ų9175.3 Ų75.343%0.42540%0.401SS..Hα-helixtrans-52-46.5171.5-98.7-165.9-145.300112.9L602 K604 I609 K610L602-E606 WeakPolarHBondContact O-CB 2.95Å; L602-E606 PolarHBondContact O-N 2.89Å; K604-E606 PolarHBondContact O-N 3.25Å; E606-I609 PolarHBondContact O-N 2.86Å; E606-K610 WeakPolarHBondContact O-CD 3.35Å; E606-K610 VanDerWaalsContact O-CE 3.26Å; E606-K610 WeakPolarHBondContact O-CE 3.45Å; E606-K610 WeakPolarHBondContact O-CG 3.37Å; E606-K610 PolarHBondContact O-N 3.38Å; E606-K610 WeakPolarHBondContact OE2-CE 3.47Å; E606-K610 IonicContact OE2-NZ 3.89Å; E606-K610 PolarHBondContact OE2-NZ 2.85Å
607E81Confident81.5Confident34 Ų3475.2 Ų75.216%0.15940%0.399CS..Hα-helixtrans-74.9-35.1-173.7-144.170.6-179.300112.2R583 Q603 K604 A605 K610 Q611R583-E607 WeakPolarHBondContact CG-OE1 3.32Å; R583-E607 PolarHBondContact N-OE1 3.1Å; Q603-E607 WeakPolarHBondContact O-CB 3.34Å; Q603-E607 PolarHBondContact O-N 3.48Å; K604-E607 PolarHBondContact O-N 3.37Å; K604-E607 VanDerWaalsContact O-N 3.15Å; A605-E607 VanDerWaalsContact C-N 3.31Å; A605-E607 PolarHBondContact O-N 2.91Å; E607-K610 PolarHBondContact O-N 2.98Å; E607-K610 WeakPolarHBondContact OE2-CD 3.47Å; E607-K610 IonicContact OE2-NZ 2.69Å; E607-K610 PolarHBondContact OE2-NZ 3.46Å; E607-Q611 WeakPolarHBondContact O-CB 3.34Å; E607-Q611 PolarHBondContact O-N 3.44Å
608L83.4Confident82.9Confident114 Ų11471.4 Ų71.460%0.59737%0.367SS*.Hα-helixtrans-59.1-49.8169.4-71169.5000111K604 A605 K610 Q611 E612K604-L608 WeakPolarHBondContact O-CG 3.36Å; K604-L608 PolarHBondContact O-N 2.96Å; A605-L608 PolarHBondContact O-N 3.46Å; L608-K610 VanDerWaalsContact C-N 3.29Å; L608-K610 PolarHBondContact O-N 2.9Å; L608-Q611 WeakPolarHBondContact O-CB 3.46Å; L608-Q611 PolarHBondContact O-N 2.86Å; L608-Q611 VanDerWaalsContact O-N 3.1Å; L608-E612 WeakPolarHBondContact O-CB 3.34Å; L608-E612 PolarHBondContact O-N 3.26Å
609I85.6Confident84Confident115 Ų11567.2 Ų67.259%0.5934%0.341SS*.Hα-helixtrans-59.6-39177.8-67.8164.2000111.2A605 E606 M613A605-I609 WeakPolarHBondContact O-CD1 3.38Å; A605-I609 VanDerWaalsContact O-CG1 3.26Å; A605-I609 WeakPolarHBondContact O-CG1 3.35Å; A605-I609 PolarHBondContact O-N 3.27Å; E606-I609 PolarHBondContact O-N 2.86Å; I609-M613 VanDerWaalsContact O-CB 3.24Å; I609-M613 WeakPolarHBondContact O-CB 3.37Å; I609-M613 PolarHBondContact O-N 3.06Å
610K84.7Confident84.7Confident42 Ų4266.3 Ų66.318%0.18334%0.336CS..Hα-helixtrans-66.8-41.3175.3-67.4161.8-148.4165.40111.9I581 L582 E606 E607 L608 V614I581-K610 HydrophobicContact CG2-CB 4.32Å; I581-K610 HydrophobicContact CG2-CD 4.17Å; I581-K610 HydrophobicContact CG2-CG 3.96Å; L582-K610 HydrophobicContact CD2-CB 3.74Å; E606-K610 WeakPolarHBondContact O-CD 3.35Å; E606-K610 VanDerWaalsContact O-CE 3.26Å; E606-K610 WeakPolarHBondContact O-CE 3.45Å; E606-K610 WeakPolarHBondContact O-CG 3.37Å; E606-K610 PolarHBondContact O-N 3.38Å; E606-K610 WeakPolarHBondContact OE2-CE 3.47Å; E606-K610 IonicContact OE2-NZ 3.89Å; E606-K610 PolarHBondContact OE2-NZ 2.85Å; E607-K610 PolarHBondContact O-N 2.98Å; E607-K610 WeakPolarHBondContact OE2-CD 3.47Å; E607-K610 IonicContact OE2-NZ 2.69Å; E607-K610 PolarHBondContact OE2-NZ 3.46Å; L608-K610 VanDerWaalsContact C-N 3.29Å; L608-K610 PolarHBondContact O-N 2.9Å; K610-V614 VanDerWaalsContact O-CG2 3.31Å; K610-V614 WeakPolarHBondContact O-CG2 3.41Å; K610-V614 PolarHBondContact O-N 3.08Å
611Q84.7Confident84.9Confident95 Ų9562.7 Ų62.744%0.44431%0.314SS..Hα-helixtrans-63.9-44.6177.9-177.7173.7-12.800111.2L582 E607 L608 V614 T615L582-Q611 HydrophobicContact CD2-CB 4.28Å; E607-Q611 WeakPolarHBondContact O-CB 3.34Å; E607-Q611 PolarHBondContact O-N 3.44Å; L608-Q611 WeakPolarHBondContact O-CB 3.46Å; L608-Q611 PolarHBondContact O-N 2.86Å; L608-Q611 VanDerWaalsContact O-N 3.1Å; Q611-V614 PolarHBondContact O-N 3.22Å; Q611-T615 PolarHBondContact O-N 3.09Å
612E85.2Confident85.2Confident104 Ų10459.4 Ų59.449%0.48630%0.296SS..Hα-helixtrans-69.8-36.9178.2-168.3170.7-164.200112.7L608 V614 T615 M616L608-E612 WeakPolarHBondContact O-CB 3.34Å; L608-E612 PolarHBondContact O-N 3.26Å; E612-V614 VanDerWaalsContact C-N 3.26Å; E612-V614 PolarHBondContact O-N 3.5Å; E612-T615 WeakPolarHBondContact CA-OG1 3.26Å; E612-T615 PolarHBondContact O-N 2.73Å; E612-T615 PolarHBondContact O-OG1 2.84Å; E612-M616 VanDerWaalsContact O-CB 3.29Å; E612-M616 WeakPolarHBondContact O-CB 3.36Å; E612-M616 WeakPolarHBondContact O-CG 3.33Å; E612-M616 PolarHBondContact O-N 3.36Å
613M86.2Confident85.4Confident77 Ų7757.1 Ų57.138%0.37929%0.285SS..Hα-helixtrans-60.1-36.8169.6-179-178.861.200111.9I581 I609 M617I581-M613 HydrophobicContact CD1-CE 4.27Å; I581-M613 HydrophobicContact CG2-CE 4.2Å; I609-M613 VanDerWaalsContact O-CB 3.24Å; I609-M613 WeakPolarHBondContact O-CB 3.37Å; I609-M613 PolarHBondContact O-N 3.06Å; M613-M617 WeakPolarHBondContact O-CG 3.39Å; M613-M617 PolarHBondContact O-N 2.73Å
614V87.4Confident85.5Confident2 Ų254.9 Ų54.91%0.01228%0.275CS..Hα-helixtrans-72.5-43.2177.4170.60000111.5V577 L582 K610 Q611 E612 M617 H618 F666V577-V614 HydrophobicContact CG1-CG1 4.11Å; V577-V614 HydrophobicContact CG1-CG2 4.41Å; L582-V614 HydrophobicContact CD1-CG2 4.46Å; K610-V614 VanDerWaalsContact O-CG2 3.31Å; K610-V614 WeakPolarHBondContact O-CG2 3.41Å; K610-V614 PolarHBondContact O-N 3.08Å; Q611-V614 PolarHBondContact O-N 3.22Å; E612-V614 VanDerWaalsContact C-N 3.26Å; E612-V614 PolarHBondContact O-N 3.5Å; V614-M617 PolarHBondContact O-N 3.37Å; V614-H618 PolarHBondContact O-CD2 2.92Å; V614-H618 VanDerWaalsContact O-CD2 3.27Å; V614-H618 PolarHBondContact O-N 2.67Å; V614-F666 HydrophobicContact CG1-CE1 3.89Å; V614-F666 HydrophobicContact CG1-CE2 4.27Å; V614-F666 HydrophobicContact CG1-CZ 3.54Å
615T88.1Confident85.6Confident16 Ų1654.7 Ų54.710%0.09828%0.281CS..Hα-helixtrans-62.5-43.7174.655.40000111.6Q611 E612 M617 H618 Y619 F666 C670Q611-T615 PolarHBondContact O-N 3.09Å; E612-T615 WeakPolarHBondContact CA-OG1 3.26Å; E612-T615 PolarHBondContact O-N 2.73Å; E612-T615 PolarHBondContact O-OG1 2.84Å; T615-M617 PolarHBondContact O-N 2.97Å; T615-H618 PolarHBondContact O-N 2.89Å; T615-Y619 WeakPolarHBondContact O-CB 3.35Å; T615-Y619 PolarHBondContact O-N 3.26Å; T615-F666 HydrophobicContact CG2-CE1 3.83Å; T615-F666 HydrophobicContact CG2-CZ 4.44Å; T615-C670 HydrophobicContact CG2-CB 3.8Å
616M86.9Confident85.6Confident65 Ų6552.7 Ų52.732%0.3226%0.264SS..Hα-helixtrans-51.5-50168.9-85.1-98.5-74.500112.2E612 H618 Y619 D620 Y672E612-M616 VanDerWaalsContact O-CB 3.29Å; E612-M616 WeakPolarHBondContact O-CB 3.36Å; E612-M616 WeakPolarHBondContact O-CG 3.33Å; E612-M616 PolarHBondContact O-N 3.36Å; M616-H618 VanDerWaalsContact C-N 3.32Å; M616-H618 PolarHBondContact O-N 3.46Å; M616-Y619 PolarHBondContact O-N 3.35Å; M616-D620 WeakPolarHBondContact O-CB 3.26Å; M616-D620 PolarHBondContact O-N 2.9Å; M616-Y672 HydrophobicContact CG-CE2 4.08Å; M616-Y672 HydrophobicContact SD-CE2 4.09Å
617M87.7Confident85.2Confident60 Ų6053.8 Ų53.830%0.29628%0.279SS..Hα-helixtrans-64.2-32.2179.8-80.1-163.7179.700113.8P574 V577 M613 V614 T615 N621P574-M617 HydrophobicContact CG-CE 4.11Å; P574-M617 HydrophobicContact CG-SD 3.96Å; V577-M617 HydrophobicContact CG1-CB 3.99Å; V577-M617 HydrophobicContact CG1-SD 4.07Å; V577-M617 HydrophobicContact CG2-CB 3.78Å; M613-M617 WeakPolarHBondContact O-CG 3.39Å; M613-M617 PolarHBondContact O-N 2.73Å; V614-M617 PolarHBondContact O-N 3.37Å; T615-M617 PolarHBondContact O-N 2.97Å; M617-N621 WeakPolarHBondContact O-CB 3.32Å; M617-N621 PolarHBondContact O-N 3.15Å; M617-N621 VanDerWaalsContact O-N 3.17Å; M617-N621 PolarHBondContact O-ND2 2.8Å
618H88.9Confident84.9Confident5 Ų555.6 Ų55.62%0.02329%0.29CS..Hα-helixtrans-73.8-41.3174.1-81.3-115.7000111.8V577 H579 V614 T615 M616 N621 L622 H663 F666 L667V577-H618 WeakPolarHBondContact CB-NE2 3.35Å; H579-H618 AromaticContact CE1-CE1 3.79Å; H579-H618 AromaticContact CE1-NE2 3.34Å; H579-H618 PolarHBondContact CE1-NE2 2.95Å; H579-H618 VanDerWaalsContact CE1-NE2 3.34Å; H579-H618 AromaticContact NE2-CE1 3.97Å; H579-H618 AromaticContact NE2-NE2 3.73Å; V614-H618 PolarHBondContact O-CD2 2.92Å; V614-H618 VanDerWaalsContact O-CD2 3.27Å; V614-H618 PolarHBondContact O-N 2.67Å; T615-H618 PolarHBondContact O-N 2.89Å; M616-H618 VanDerWaalsContact C-N 3.32Å; M616-H618 PolarHBondContact O-N 3.46Å; H618-N621 PolarHBondContact O-N 3.4Å; H618-L622 WeakPolarHBondContact O-CB 3.06Å; H618-L622 PolarHBondContact O-N 2.81Å; H618-H663 AromaticContact CE1-ND1 3.79Å; H618-H663 AromaticContact CG-ND1 3.65Å; H618-H663 AromaticContact ND1-ND1 3.27Å; H618-H663 PolarHBondContact ND1-ND1 3.4Å; H618-F666 HydrophobicContact CB-CD1 3.85Å; H618-F666 HydrophobicContact CB-CE1 4.47Å; H618-F666 AromaticContact CD2-CD1 3.87Å; H618-F666 AromaticContact CE1-CD1 3.93Å; H618-F666 AromaticContact CE1-CG 3.62Å; H618-F666 AromaticContact CG-CD1 3.47Å; H618-F666 VanDerWaalsContact CG-CD1 3.47Å; H618-F666 AromaticContact CG-CG 3.94Å; H618-F666 VanDerWaalsContact ND1-CB 3.31Å; H618-F666 WeakPolarHBondContact ND1-CB 3.15Å; H618-F666 AromaticContact ND1-CD1 3.52Å; H618-F666 AromaticContact ND1-CG 3.48Å; H618-F666 WeakPolarHBondContact ND1-CG 3.31Å; H618-L667 HydrophobicContact CB-CD1 4.33Å; H618-L667 HydrophobicContact CB-CD2 4.22Å; H618-L667 HydrophobicContact CB-CG 4.1Å
619Y90.1Very high84.6Confident55 Ų5551.5 Ų51.522%0.21627%0.268CS..Hα-helixtrans-63.2-46.7176.3-175.4-97.5000112T615 M616 N621 L622 N623 Y672T615-Y619 WeakPolarHBondContact O-CB 3.35Å; T615-Y619 PolarHBondContact O-N 3.26Å; M616-Y619 PolarHBondContact O-N 3.35Å; Y619-N621 PolarHBondContact O-N 2.88Å; Y619-L622 PolarHBondContact O-N 3.47Å; Y619-N623 VanDerWaalsContact CD2-ND2 3.33Å; Y619-N623 WeakPolarHBondContact CD2-ND2 3.47Å; Y619-N623 WeakPolarHBondContact CE2-ND2 3.45Å; Y619-N623 VanDerWaalsContact CZ-ND2 3.28Å; Y619-N623 WeakPolarHBondContact O-CB 3.21Å; Y619-N623 PolarHBondContact O-N 3.45Å; Y619-N623 PolarHBondContact O-ND2 3.4Å; Y619-Y672 AromaticContact CD1-CD1 3.98Å; Y619-Y672 HydrophobicContact CD1-CD1 3.98Å; Y619-Y672 HydrophobicContact CD1-CD2 4.39Å; Y619-Y672 AromaticContact CD1-CE1 3.82Å; Y619-Y672 HydrophobicContact CD1-CE1 3.82Å; Y619-Y672 HydrophobicContact CD1-CE2 4.28Å; Y619-Y672 HydrophobicContact CD1-CG 4.25Å; Y619-Y672 AromaticContact CD1-CZ 3.99Å; Y619-Y672 AromaticContact CD2-CD1 3.46Å; Y619-Y672 HydrophobicContact CD2-CD1 3.46Å; Y619-Y672 VanDerWaalsContact CD2-CD1 3.46Å; Y619-Y672 HydrophobicContact CD2-CD2 4.27Å; Y619-Y672 HydrophobicContact CD2-CE1 4.15Å; Y619-Y672 AromaticContact CD2-CG 3.51Å; Y619-Y672 HydrophobicContact CD2-CG 3.51Å; Y619-Y672 AromaticContact CE1-CD1 3.9Å; Y619-Y672 HydrophobicContact CE1-CD1 3.9Å; Y619-Y672 AromaticContact CE1-CE1 3.58Å; Y619-Y672 HydrophobicContact CE1-CE1 3.58Å; Y619-Y672 AromaticContact CE2-CD1 3.37Å; Y619-Y672 HydrophobicContact CE2-CD1 3.37Å; Y619-Y672 AromaticContact CE2-CE1 3.94Å; Y619-Y672 HydrophobicContact CE2-CE1 3.94Å; Y619-Y672 AromaticContact CE2-CG 3.94Å; Y619-Y672 HydrophobicContact CE2-CG 3.94Å; Y619-Y672 AromaticContact CG-CD1 3.75Å; Y619-Y672 HydrophobicContact CG-CD1 3.75Å; Y619-Y672 AromaticContact CG-CD2 3.97Å; Y619-Y672 HydrophobicContact CG-CD2 3.97Å; Y619-Y672 HydrophobicContact CG-CE1 4.09Å; Y619-Y672 HydrophobicContact CG-CE2 4.31Å; Y619-Y672 AromaticContact CG-CG 3.67Å; Y619-Y672 HydrophobicContact CG-CG 3.67Å; Y619-Y672 AromaticContact CZ-CD1 3.58Å; Y619-Y672 AromaticContact CZ-CE1 3.63Å
620D88.1Confident83.8Confident11 Ų1151.4 Ų51.46%0.05927%0.268CS..Hα-helixtrans-65.9-36.4177.3-92.9-10.1000112.6S564 V567 M616 N624S564-D620 WeakPolarHBondContact CB-OD2 3.35Å; S564-D620 PolarHBondContact OG-OD2 2.83Å; V567-D620 HydrophobicContact CG2-CB 4.32Å; V567-D620 VanDerWaalsContact CG2-CG 3.46Å; V567-D620 WeakPolarHBondContact CG2-OD1 3.42Å; V567-D620 WeakPolarHBondContact CG2-OD2 3.48Å; M616-D620 WeakPolarHBondContact O-CB 3.26Å; M616-D620 PolarHBondContact O-N 2.9Å; D620-N624 CarbonylContact O-C 3.06Å; D620-N624 VanDerWaalsContact O-CA 3.22Å; D620-N624 WeakPolarHBondContact O-CA 3.06Å; D620-N624 WeakPolarHBondContact O-CB 3.24Å; D620-N624 PolarHBondContact O-N 2.84Å; D620-N624 VanDerWaalsContact O-O 3.08Å
621N86.9Confident83.1Confident6 Ų654 Ų543%0.03228%0.283CS..Hα-helixtrans-72-29.7175.5-90.2-72.3000113.5P574 M617 H618 Y619 P626P574-N621 PolarHBondContact O-ND2 2.93Å; P574-N621 PolarHBondContact O-OD1 2.85Å; M617-N621 WeakPolarHBondContact O-CB 3.32Å; M617-N621 PolarHBondContact O-N 3.15Å; M617-N621 VanDerWaalsContact O-N 3.17Å; M617-N621 PolarHBondContact O-ND2 2.8Å; H618-N621 PolarHBondContact O-N 3.4Å; Y619-N621 PolarHBondContact O-N 2.88Å; N621-P626 WeakPolarHBondContact OD1-CD 3.45Å; N621-P626 WeakPolarHBondContact OD1-CG 3.31Å
622L87.2Confident82.3Confident44 Ų4450.8 Ų50.823%0.2327%0.269CS..Hα-helixtrans-74.1-46.1176.4-176.963.5000111.9H618 Y619 K660 H663 E664 L667H618-L622 WeakPolarHBondContact O-CB 3.06Å; H618-L622 PolarHBondContact O-N 2.81Å; Y619-L622 PolarHBondContact O-N 3.47Å; L622-K660 HydrophobicContact CD1-CD 4.49Å; L622-K660 HydrophobicContact CD1-CG 3.75Å; L622-H663 HydrophobicContact CB-CB 4.2Å; L622-H663 HydrophobicContact CD1-CB 4.47Å; L622-E664 HydrophobicContact CD1-CG 3.99Å; L622-E664 HydrophobicContact CD2-CG 4.35Å; L622-L667 HydrophobicContact CB-CD1 4.28Å; L622-L667 HydrophobicContact CD2-CD1 3.67Å
623N85.6Confident81.6Confident78 Ų7845.9 Ų45.942%0.41725%0.246SC..Hα-helixtrans-94.6-31.1-171.7-65.8-39.5000113.8Y619 P625Y619-N623 VanDerWaalsContact CD2-ND2 3.33Å; Y619-N623 WeakPolarHBondContact CD2-ND2 3.47Å; Y619-N623 WeakPolarHBondContact CE2-ND2 3.45Å; Y619-N623 VanDerWaalsContact CZ-ND2 3.28Å; Y619-N623 WeakPolarHBondContact O-CB 3.21Å; Y619-N623 PolarHBondContact O-N 3.45Å; Y619-N623 PolarHBondContact O-ND2 3.4Å; N623-P625 VanDerWaalsContact C-CD 3.49Å
624N82.8Confident80.7Confident17 Ų1743.9 Ų43.99%0.09124%0.242CC..SBendtrans-130.259.6-176.8-61.3-78.4000110.8R563 V567 R573 D620R563-N624 PolarHBondContact NH1-OD1 2.78Å; V567-N624 HydrophobicContact CG1-CB 4.13Å; V567-N624 HydrophobicContact CG2-CB 3.81Å; R573-N624 PolarHBondContact NH2-O 3.49Å; D620-N624 CarbonylContact O-C 3.06Å; D620-N624 VanDerWaalsContact O-CA 3.22Å; D620-N624 WeakPolarHBondContact O-CA 3.06Å; D620-N624 WeakPolarHBondContact O-CB 3.24Å; D620-N624 PolarHBondContact O-N 2.84Å; D620-N624 VanDerWaalsContact O-O 3.08Å
625P83.1Confident79.8Confident70 Ų7049.7 Ų49.746%0.45527%0.267SS..  trans-54.3130.1-172.621.6-34.1000112.1N623N623-P625 VanDerWaalsContact C-CD 3.49Å
626P81.8Confident78.7Confident5 Ų554.6 Ų54.63%0.03229%0.289CS..  trans-67.4149-174.822.9-30.3000112.2R573 N621 N628 Q629R573-P626 HydrophobicContact CB-CB 4.17Å; R573-P626 HydrophobicContact CB-CG 4.46Å; N621-P626 WeakPolarHBondContact OD1-CD 3.45Å; N621-P626 WeakPolarHBondContact OD1-CG 3.31Å; P626-N628 PolarHBondContact O-N 3.08Å; P626-Q629 HydrophobicContact CG-CB 4.23Å; P626-Q629 WeakPolarHBondContact O-CB 3.39Å; P626-Q629 PolarHBondContact O-N 2.87Å
627P73.1Confident77.6Confident114 Ų11452.8 Ų52.874%0.7428%0.281SS*.THydrogen-bonded Turntrans-60.5-23.4179.424.5-34.3000113.3Q629P627-Q629 VanDerWaalsContact C-N 3.31Å; P627-Q629 PolarHBondContact O-N 2.93Å
628N75.3Confident76.1Confident72 Ų7253.2 Ų53.239%0.38529%0.288SS..THydrogen-bonded Turntrans-71.6-19174.3-70.6-18.9000113.9P626 L630 L631 D632P626-N628 PolarHBondContact O-N 3.08Å; N628-L630 PolarHBondContact O-N 3.4Å; N628-L630 VanDerWaalsContact O-N 3.12Å; N628-L631 CarbonylContact O-C 3.58Å; N628-L631 WeakPolarHBondContact O-CA 3.29Å; N628-L631 WeakPolarHBondContact O-CB 3.49Å; N628-L631 PolarHBondContact O-N 3.25Å; N628-D632 PolarHBondContact O-N 2.8Å
629Q76.5Confident74.6Confident29 Ų2955.3 Ų55.314%0.13631%0.31CS..Hα-helixtrans-58.9-31.5-174-157.4-177.772.200112.4P626 P627 A633 L656 L659P626-Q629 HydrophobicContact CG-CB 4.23Å; P626-Q629 WeakPolarHBondContact O-CB 3.39Å; P626-Q629 PolarHBondContact O-N 2.87Å; P627-Q629 VanDerWaalsContact C-N 3.31Å; P627-Q629 PolarHBondContact O-N 2.93Å; Q629-A633 VanDerWaalsContact O-CB 3.25Å; Q629-A633 WeakPolarHBondContact O-CB 3.24Å; Q629-A633 PolarHBondContact O-N 2.99Å; Q629-L656 HydrophobicContact CG-CD2 3.98Å; Q629-L659 HydrophobicContact CG-CD1 4.1Å
630L69.4Low72.9Confident113 Ų11359.8 Ų59.859%0.59235%0.347SS*.Hα-helixtrans-72-36.3171.3-80.3167.8000113.7N628 A634 L656N628-L630 PolarHBondContact O-N 3.4Å; N628-L630 VanDerWaalsContact O-N 3.12Å; L630-A634 PolarHBondContact O-N 3.06Å; L630-L656 HydrophobicContact CD2-CD1 4.07Å
631L70Confident70.8Confident97 Ų9764 Ų6451%0.50838%0.377SS..Hα-helixtrans-67.8-41.6174.3-104.770.4000111N628 A634 K635N628-L631 CarbonylContact O-C 3.58Å; N628-L631 WeakPolarHBondContact O-CA 3.29Å; N628-L631 WeakPolarHBondContact O-CB 3.49Å; N628-L631 PolarHBondContact O-N 3.25Å; L631-A634 WeakPolarHBondContact O-CB 3.33Å; L631-A634 PolarHBondContact O-N 3.1Å; L631-K635 WeakPolarHBondContact O-CG 3.48Å; L631-K635 PolarHBondContact O-N 2.74Å
632D68.5Low68.7Low26 Ų2668 Ų6814%0.13942%0.42CS..Hα-helixtrans-73.3-34.9-179.1-62.4-41.6000111.6S575 N628 A634 K635 Q636S575-D632 WeakPolarHBondContact OG-CB 3.48Å; S575-D632 PolarHBondContact OG-OD2 2.93Å; N628-D632 PolarHBondContact O-N 2.8Å; D632-A634 VanDerWaalsContact C-N 3.3Å; D632-A634 PolarHBondContact O-N 3.01Å; D632-K635 PolarHBondContact O-N 3.44Å; D632-K635 WeakPolarHBondContact OD1-CE 3.36Å; D632-K635 IonicContact OD1-NZ 3.89Å; D632-K635 PolarHBondContact OD1-NZ 2.91Å; D632-Q636 PolarHBondContact O-N 2.88Å
633A69.5Low66.5Low1 Ų170.6 Ų70.61%0.00844%0.441CS..Hα-helixtrans-58.7-38.6167.100000113Q629 T637 Y655 L656Q629-A633 VanDerWaalsContact O-CB 3.25Å; Q629-A633 WeakPolarHBondContact O-CB 3.24Å; Q629-A633 PolarHBondContact O-N 2.99Å; A633-T637 WeakPolarHBondContact O-CB 3.38Å; A633-T637 WeakPolarHBondContact O-CG2 3.42Å; A633-T637 PolarHBondContact O-N 2.78Å; A633-T637 PolarHBondContact O-OG1 3.19Å; A633-Y655 VanDerWaalsContact CA-CD1 3.5Å; A633-Y655 HydrophobicContact CB-CD1 3.49Å; A633-Y655 VanDerWaalsContact CB-CD1 3.49Å; A633-Y655 HydrophobicContact CB-CE1 3.85Å; A633-L656 HydrophobicContact CB-CD2 4.11Å; A633-L656 HydrophobicContact CB-CG 4.17Å
634A67.2Low64.6Low36 Ų3672.9 Ų72.930%0.29846%0.463SS..Hα-helixtrans-67.6-42.317400000112L630 L631 D632 T637 T638L630-A634 PolarHBondContact O-N 3.06Å; L631-A634 WeakPolarHBondContact O-CB 3.33Å; L631-A634 PolarHBondContact O-N 3.1Å; D632-A634 VanDerWaalsContact C-N 3.3Å; D632-A634 PolarHBondContact O-N 3.01Å; A634-T637 PolarHBondContact O-N 2.94Å; A634-T637 PolarHBondContact O-OG1 3.15Å; A634-T638 PolarHBondContact O-N 3.17Å; A634-T638 PolarHBondContact O-OG1 3.13Å
635K68.3Low63Low124 Ų12474.2 Ų74.254%0.53948%0.482SS..Hα-helixtrans-63.5-45.2178.2-66.3168.8-161.5164.70113.2L631 D632 T637 T638L631-K635 WeakPolarHBondContact O-CG 3.48Å; L631-K635 PolarHBondContact O-N 2.74Å; D632-K635 PolarHBondContact O-N 3.44Å; D632-K635 WeakPolarHBondContact OD1-CE 3.36Å; D632-K635 IonicContact OD1-NZ 3.89Å; D632-K635 PolarHBondContact OD1-NZ 2.91Å; K635-T637 VanDerWaalsContact C-N 3.26Å; K635-T637 PolarHBondContact O-N 2.92Å; K635-T638 PolarHBondContact O-N 3Å; K635-T638 PolarHBondContact O-OG1 2.81Å
636Q66.4Low61.7Low119 Ų11977.1 Ų77.156%0.55650%0.498SS*.Hα-helixtrans-77.3-11.9-177-65.1-16312.700113.4D632 Y655D632-Q636 PolarHBondContact O-N 2.88Å; Q636-Y655 HydrophobicContact CB-CE2 4.01Å; Q636-Y655 HydrophobicContact CG-CE2 4.47Å; Q636-Y655 PolarHBondContact NE2-OH 3.24Å; Q636-Y655 VanDerWaalsContact OE1-CZ 3.31Å; Q636-Y655 PolarHBondContact OE1-OH 2.89Å
637T62.5Low60.6Low26 Ų2677.3 Ų77.316%0.1650%0.499CS..Hα-helixtrans-98.5-10.4174.852.70000113.8A633 A634 K635 A647 Q651A633-T637 WeakPolarHBondContact O-CB 3.38Å; A633-T637 WeakPolarHBondContact O-CG2 3.42Å; A633-T637 PolarHBondContact O-N 2.78Å; A633-T637 PolarHBondContact O-OG1 3.19Å; A634-T637 PolarHBondContact O-N 2.94Å; A634-T637 PolarHBondContact O-OG1 3.15Å; K635-T637 VanDerWaalsContact C-N 3.26Å; K635-T637 PolarHBondContact O-N 2.92Å; T637-A647 WeakPolarHBondContact OG1-CB 3.28Å; T637-Q651 HydrophobicContact CG2-CB 4.03Å
638T57.6Low60.2Low69 Ų6975.1 Ų75.142%0.42349%0.485SS..SBendtrans-85.5124.2165.448.50000111.2A634 K635A634-T638 PolarHBondContact O-N 3.17Å; A634-T638 PolarHBondContact O-OG1 3.13Å; K635-T638 PolarHBondContact O-N 3Å; K635-T638 PolarHBondContact O-OG1 2.81Å
639G57.1Low60Low49 Ų4974.4 Ų74.451%0.50549%0.49SS..  trans-70.7174.1174.600000113.6S641G639-S641 PolarHBondContact O-N 2.87Å
640P54.1Low60Low150 Ų15077 Ų7797%0.97451%0.511SS*.SBendtrans-68.3-2.6-174.127.5-35.6000115.4
641S43Very low60.1Low99 Ų9976.2 Ų76.269%0.69250%0.504SS*.SBendtrans-87.3106.9169.343.10000110.3G639 S643G639-S641 PolarHBondContact O-N 2.87Å; S641-S643 PolarHBondContact O-N 3.23Å
642G43.6Very low60.4Low91 Ų9173.6 Ų73.694%0.93849%0.489SS*.  trans-69.849.2-172.600000116.8
643S40.4Very low60.8Low97 Ų9780.8 Ų80.868%0.67851%0.514SS*.  trans-83.5142.8169.4-172.30000110.6S641 G645S641-S643 PolarHBondContact O-N 3.23Å; S643-G645 PolarHBondContact O-N 2.73Å
644S46.5Very low61.4Low126 Ų12689.5 Ų89.588%0.88155%0.547SS*.  trans-75.230-172.850.90000115V646S644-V646 PolarHBondContact O-N 3.42Å
645G49.3Very low62.1Low46 Ų4689.2 Ų89.247%0.47454%0.539SS..  trans-73.7118.4178.300000112.1S643 A647S643-G645 PolarHBondContact O-N 2.73Å; G645-A647 PolarHBondContact O-N 3.02Å; G645-A647 VanDerWaalsContact O-N 3.12Å
646V56.5Low62.7Low131 Ų13185.5 Ų85.579%0.79452%0.524SS*.  trans-62114.2164.8178.90000107.9S644S644-V646 PolarHBondContact O-N 3.42Å
647A57.9Low63.6Low8 Ų886.7 Ų86.77%0.06653%0.53CS..  trans-56.4139.1-178.400000111.3T637 G645 A649 Q652T637-A647 WeakPolarHBondContact OG1-CB 3.28Å; G645-A647 PolarHBondContact O-N 3.02Å; G645-A647 VanDerWaalsContact O-N 3.12Å; A647-A649 PolarHBondContact O-N 3.34Å; A647-Q652 HydrophobicContact CB-CG 4.39Å; A647-Q652 PolarHBondContact O-NE2 2.79Å
648P65.7Low64.7Low69 Ų6991.5 Ų91.545%0.44855%0.55SS.*  trans-46.2132-178.5-31.633.7000113.8S650 Q651 Q652P648-S650 WeakPolarHBondContact CB-OG 3.25Å; P648-S650 PolarHBondContact O-N 2.82Å; P648-Q651 PolarHBondContact O-N 3.28Å; P648-Q652 PolarHBondContact O-N 2.91Å
649A70.3Confident66Low57 Ų5788.9 Ų88.947%0.47153%0.534SS..Hα-helixtrans-63.6-5.1179.100000114.2A647 R653A647-A649 PolarHBondContact O-N 3.34Å; A649-R653 WeakPolarHBondContact O-CB 3.21Å; A649-R653 PolarHBondContact O-NE 3.09Å; A649-R653 VanDerWaalsContact O-NE 3.16Å
650S76.5Confident67.3Low83 Ų8391.8 Ų91.858%0.5853%0.532SS*.Hα-helixtrans-81.7-47.1165.749.70000112.2P648 R653 R654P648-S650 WeakPolarHBondContact CB-OG 3.25Å; P648-S650 PolarHBondContact O-N 2.82Å; S650-R653 PolarHBondContact O-N 2.88Å; S650-R654 WeakPolarHBondContact O-CB 3.4Å; S650-R654 PolarHBondContact O-N 3.3Å
651Q72.3Confident69Low97 Ų9787 Ų8745%0.45351%0.506SS..Hα-helixtrans-63.1-45.7174.3-86.2179.3-40.800111.5T637 P648 R653 R654 Y655T637-Q651 HydrophobicContact CG2-CB 4.03Å; P648-Q651 PolarHBondContact O-N 3.28Å; Q651-R653 VanDerWaalsContact C-N 3.31Å; Q651-R653 PolarHBondContact O-N 3Å; Q651-R654 PolarHBondContact O-N 3.01Å; Q651-R654 VanDerWaalsContact O-N 3.16Å; Q651-Y655 WeakPolarHBondContact O-CB 3.23Å; Q651-Y655 PolarHBondContact O-N 2.86Å
652Q74.6Confident71.1Confident41 Ų4185.7 Ų85.719%0.19249%0.494CS..Hα-helixtrans-58.8-42.3176.3-66.5179.2-5.900111.8A647 P648 Y655 L656A647-Q652 HydrophobicContact CB-CG 4.39Å; A647-Q652 PolarHBondContact O-NE2 2.79Å; P648-Q652 PolarHBondContact O-N 2.91Å; Q652-Y655 PolarHBondContact O-N 3.2Å; Q652-L656 WeakPolarHBondContact O-CG 3.26Å; Q652-L656 PolarHBondContact O-N 2.81Å
653R78.9Confident73.2Confident177 Ų17781.6 Ų81.667%0.66845%0.45SS*.Hα-helixtrans-64.9-43.4174-96.6-175.4-86.8-162.7-8.6112.6A649 S650 Q651 Y655 L656 Q657A649-R653 WeakPolarHBondContact O-CB 3.21Å; A649-R653 PolarHBondContact O-NE 3.09Å; A649-R653 VanDerWaalsContact O-NE 3.16Å; S650-R653 PolarHBondContact O-N 2.88Å; Q651-R653 VanDerWaalsContact C-N 3.31Å; Q651-R653 PolarHBondContact O-N 3Å; R653-Y655 VanDerWaalsContact C-N 3.3Å; R653-Y655 PolarHBondContact O-N 2.94Å; R653-L656 PolarHBondContact O-N 3.12Å; R653-Q657 VanDerWaalsContact O-CB 3.25Å; R653-Q657 WeakPolarHBondContact O-CB 3.24Å; R653-Q657 PolarHBondContact O-N 2.78Å
654R81.4Confident75.5Confident185 Ų18580.4 Ų80.470%0.69843%0.434SS*.Hα-helixtrans-61.8-39.8178.6-155.5179.8-152.7176.16.6111.6S650 Q651 Q657 Q658S650-R654 WeakPolarHBondContact O-CB 3.4Å; S650-R654 PolarHBondContact O-N 3.3Å; Q651-R654 PolarHBondContact O-N 3.01Å; Q651-R654 VanDerWaalsContact O-N 3.16Å; R654-Q657 PolarHBondContact O-N 3.37Å; R654-Q658 WeakPolarHBondContact O-CG 3.22Å; R654-Q658 PolarHBondContact O-N 3.38Å
655Y81.2Confident77.5Confident30 Ų3077.1 Ų77.112%0.11841%0.411CS..Hα-helixtrans-66-48.4175176.5-98.4000112.6A633 Q636 Q651 Q652 R653 Q657 Q658 L659A633-Y655 VanDerWaalsContact CA-CD1 3.5Å; A633-Y655 HydrophobicContact CB-CD1 3.49Å; A633-Y655 VanDerWaalsContact CB-CD1 3.49Å; A633-Y655 HydrophobicContact CB-CE1 3.85Å; Q636-Y655 HydrophobicContact CB-CE2 4.01Å; Q636-Y655 HydrophobicContact CG-CE2 4.47Å; Q636-Y655 PolarHBondContact NE2-OH 3.24Å; Q636-Y655 VanDerWaalsContact OE1-CZ 3.31Å; Q636-Y655 PolarHBondContact OE1-OH 2.89Å; Q651-Y655 WeakPolarHBondContact O-CB 3.23Å; Q651-Y655 PolarHBondContact O-N 2.86Å; Q652-Y655 PolarHBondContact O-N 3.2Å; R653-Y655 VanDerWaalsContact C-N 3.3Å; R653-Y655 PolarHBondContact O-N 2.94Å; Y655-Q657 PolarHBondContact O-N 3.01Å; Y655-Q658 WeakPolarHBondContact O-CB 3.31Å; Y655-Q658 PolarHBondContact O-N 3.49Å; Y655-Q658 VanDerWaalsContact O-N 3.11Å; Y655-L659 HydrophobicContact CD1-CD1 4.1Å; Y655-L659 HydrophobicContact CE1-CD1 3.35Å; Y655-L659 HydrophobicContact CE1-CG 4.09Å; Y655-L659 PolarHBondContact O-N 2.82Å
656L82Confident79.4Confident46 Ų4676.8 Ų76.824%0.24140%0.396CS..Hα-helixtrans-61.2-33.5175-70.2169.8000112.1Q629 L630 A633 Q652 R653 K660Q629-L656 HydrophobicContact CG-CD2 3.98Å; L630-L656 HydrophobicContact CD2-CD1 4.07Å; A633-L656 HydrophobicContact CB-CD2 4.11Å; A633-L656 HydrophobicContact CB-CG 4.17Å; Q652-L656 WeakPolarHBondContact O-CG 3.26Å; Q652-L656 PolarHBondContact O-N 2.81Å; R653-L656 PolarHBondContact O-N 3.12Å; L656-K660 WeakPolarHBondContact O-CB 3.48Å; L656-K660 PolarHBondContact O-N 3.33Å
657Q84.5Confident80.9Confident144 Ų14471.9 Ų71.967%0.67337%0.365SS*.Hα-helixtrans-72-34.1175.4-165.2169.718.400112.2R653 R654 Y655 A661R653-Q657 VanDerWaalsContact O-CB 3.25Å; R653-Q657 WeakPolarHBondContact O-CB 3.24Å; R653-Q657 PolarHBondContact O-N 2.78Å; R654-Q657 PolarHBondContact O-N 3.37Å; Y655-Q657 PolarHBondContact O-N 3.01Å; Q657-A661 WeakPolarHBondContact O-CB 3.15Å; Q657-A661 PolarHBondContact O-N 3.27Å
658Q85.1Confident82.3Confident126 Ų12679.2 Ų79.259%0.58940%0.396SS*.Hα-helixtrans-67.1-46.2168.9-76.4178.8-63.500111.8R654 Y655 K660 A661 T662R654-Q658 WeakPolarHBondContact O-CG 3.22Å; R654-Q658 PolarHBondContact O-N 3.38Å; Y655-Q658 WeakPolarHBondContact O-CB 3.31Å; Y655-Q658 PolarHBondContact O-N 3.49Å; Y655-Q658 VanDerWaalsContact O-N 3.11Å; Q658-K660 PolarHBondContact O-N 2.81Å; Q658-A661 CarbonylContact O-C 3.59Å; Q658-A661 WeakPolarHBondContact O-CB 3.41Å; Q658-A661 PolarHBondContact O-N 3.25Å; Q658-A661 VanDerWaalsContact O-N 3.15Å; Q658-T662 PolarHBondContact O-N 3.47Å; Q658-T662 PolarHBondContact O-OG1 3.19Å
659L84.4Confident83.2Confident15 Ų1581.8 Ų81.88%0.07941%0.406CS..Hα-helixtrans-54.6-51.1174.2-95.1172.9000111.3S575 Q629 Y655 A661 T662 H663S575-L659 WeakPolarHBondContact O-CD2 3.46Å; Q629-L659 HydrophobicContact CG-CD1 4.1Å; Y655-L659 HydrophobicContact CD1-CD1 4.1Å; Y655-L659 HydrophobicContact CE1-CD1 3.35Å; Y655-L659 HydrophobicContact CE1-CG 4.09Å; Y655-L659 PolarHBondContact O-N 2.82Å; L659-A661 VanDerWaalsContact C-N 3.3Å; L659-A661 PolarHBondContact O-N 3.22Å; L659-T662 WeakPolarHBondContact CA-OG1 3.4Å; L659-T662 PolarHBondContact O-N 3.07Å; L659-T662 VanDerWaalsContact O-N 3.08Å; L659-T662 PolarHBondContact O-OG1 2.73Å; L659-H663 PolarHBondContact O-CD2 3.29Å; L659-H663 PolarHBondContact O-N 2.73Å
660K86.3Confident83.9Confident109 Ų10980.6 Ų80.647%0.47439%0.394SS..Hα-helixtrans-57.4-44.3176.9-165.2173.1-165.1-81.70111.5L622 L656 Q658 T662 H663 E664L622-K660 HydrophobicContact CD1-CD 4.49Å; L622-K660 HydrophobicContact CD1-CG 3.75Å; L656-K660 WeakPolarHBondContact O-CB 3.48Å; L656-K660 PolarHBondContact O-N 3.33Å; Q658-K660 PolarHBondContact O-N 2.81Å; K660-T662 VanDerWaalsContact C-N 3.35Å; K660-T662 PolarHBondContact O-N 2.82Å; K660-H663 PolarHBondContact O-N 3.11Å; K660-E664 HydrophobicContact CG-CG 4.49Å; K660-E664 IonicContact NZ-OE1 3.96Å; K660-E664 PolarHBondContact NZ-OE1 2.8Å; K660-E664 WeakPolarHBondContact O-CB 3.48Å; K660-E664 WeakPolarHBondContact O-CG 3.46Å; K660-E664 PolarHBondContact O-N 2.97Å
661A88Confident84.3Confident50 Ų5081.4 Ų81.441%0.41340%0.397SS..Hα-helixtrans-62.8-36175.900000113.2Q657 Q658 L659 E664 S665Q657-A661 WeakPolarHBondContact O-CB 3.15Å; Q657-A661 PolarHBondContact O-N 3.27Å; Q658-A661 CarbonylContact O-C 3.59Å; Q658-A661 WeakPolarHBondContact O-CB 3.41Å; Q658-A661 PolarHBondContact O-N 3.25Å; Q658-A661 VanDerWaalsContact O-N 3.15Å; L659-A661 VanDerWaalsContact C-N 3.3Å; L659-A661 PolarHBondContact O-N 3.22Å; A661-E664 PolarHBondContact O-N 3.43Å; A661-S665 WeakPolarHBondContact O-CB 3.46Å; A661-S665 PolarHBondContact O-N 2.91Å; A661-S665 PolarHBondContact O-OG 2.81Å
662T87.4Confident85Confident71 Ų7180 Ų8044%0.43639%0.388SS..Hα-helixtrans-71.4-31.2175.752.90000113.4Q658 L659 K660 S665 F666Q658-T662 PolarHBondContact O-N 3.47Å; Q658-T662 PolarHBondContact O-OG1 3.19Å; L659-T662 WeakPolarHBondContact CA-OG1 3.4Å; L659-T662 PolarHBondContact O-N 3.07Å; L659-T662 VanDerWaalsContact O-N 3.08Å; L659-T662 PolarHBondContact O-OG1 2.73Å; K660-T662 VanDerWaalsContact C-N 3.35Å; K660-T662 PolarHBondContact O-N 2.82Å; T662-S665 PolarHBondContact O-OG 2.83Å; T662-F666 WeakPolarHBondContact O-CB 3.23Å; T662-F666 PolarHBondContact O-N 2.83Å
663H89Confident85.4Confident5 Ų584.8 Ų84.82%0.02341%0.41CS..Hα-helixtrans-73.5-41.8170.8-57.7-54.7000111.1H618 L622 L659 K660 S665 F666 L667H618-H663 AromaticContact CE1-ND1 3.79Å; H618-H663 AromaticContact CG-ND1 3.65Å; H618-H663 AromaticContact ND1-ND1 3.27Å; H618-H663 PolarHBondContact ND1-ND1 3.4Å; L622-H663 HydrophobicContact CB-CB 4.2Å; L622-H663 HydrophobicContact CD1-CB 4.47Å; L659-H663 PolarHBondContact O-CD2 3.29Å; L659-H663 PolarHBondContact O-N 2.73Å; K660-H663 PolarHBondContact O-N 3.11Å; H663-S665 PolarHBondContact O-N 3.28Å; H663-F666 PolarHBondContact O-N 3.33Å; H663-L667 WeakPolarHBondContact O-CB 3.21Å; H663-L667 WeakPolarHBondContact O-CD1 3.36Å; H663-L667 WeakPolarHBondContact O-CG 3.44Å; H663-L667 PolarHBondContact O-N 2.71Å
664E88.2Confident85.5Confident73 Ų7382.4 Ų82.434%0.34141%0.407SS..Hα-helixtrans-67.8-26.2176-75.2178.5-175.300114.7L622 K660 A661 K668L622-E664 HydrophobicContact CD1-CG 3.99Å; L622-E664 HydrophobicContact CD2-CG 4.35Å; K660-E664 HydrophobicContact CG-CG 4.49Å; K660-E664 IonicContact NZ-OE1 3.96Å; K660-E664 PolarHBondContact NZ-OE1 2.8Å; K660-E664 WeakPolarHBondContact O-CB 3.48Å; K660-E664 WeakPolarHBondContact O-CG 3.46Å; K660-E664 PolarHBondContact O-N 2.97Å; A661-E664 PolarHBondContact O-N 3.43Å; E664-K668 WeakPolarHBondContact O-CD 3.1Å; E664-K668 WeakPolarHBondContact O-CE 3.41Å; E664-K668 VanDerWaalsContact O-CG 3.3Å; E664-K668 WeakPolarHBondContact O-CG 3.45Å
665S88.1Confident85.5Confident57 Ų5778.3 Ų78.340%0.39939%0.394SS..Hα-helixtrans-77-49.8171.963.60000110.6A661 T662 H663 L667 K668 D669A661-S665 WeakPolarHBondContact O-CB 3.46Å; A661-S665 PolarHBondContact O-N 2.91Å; A661-S665 PolarHBondContact O-OG 2.81Å; T662-S665 PolarHBondContact O-OG 2.83Å; H663-S665 PolarHBondContact O-N 3.28Å; S665-L667 VanDerWaalsContact C-N 3.3Å; S665-L667 PolarHBondContact O-N 3.18Å; S665-K668 WeakPolarHBondContact O-CB 3.19Å; S665-K668 PolarHBondContact O-N 2.8Å; S665-D669 PolarHBondContact O-N 3.02Å
666F88.9Confident85.6Confident38 Ų3880.2 Ų80.217%0.16741%0.409CS..Hα-helixtrans-59.6-40.3-179.7-171.9-93.6000112.4H579 V614 T615 H618 T662 H663 K668 D669 C670H579-F666 AromaticContact CE1-CE2 3.99Å; V614-F666 HydrophobicContact CG1-CE1 3.89Å; V614-F666 HydrophobicContact CG1-CE2 4.27Å; V614-F666 HydrophobicContact CG1-CZ 3.54Å; T615-F666 HydrophobicContact CG2-CE1 3.83Å; T615-F666 HydrophobicContact CG2-CZ 4.44Å; H618-F666 HydrophobicContact CB-CD1 3.85Å; H618-F666 HydrophobicContact CB-CE1 4.47Å; H618-F666 AromaticContact CD2-CD1 3.87Å; H618-F666 AromaticContact CE1-CD1 3.93Å; H618-F666 AromaticContact CE1-CG 3.62Å; H618-F666 AromaticContact CG-CD1 3.47Å; H618-F666 VanDerWaalsContact CG-CD1 3.47Å; H618-F666 AromaticContact CG-CG 3.94Å; H618-F666 VanDerWaalsContact ND1-CB 3.31Å; H618-F666 WeakPolarHBondContact ND1-CB 3.15Å; H618-F666 AromaticContact ND1-CD1 3.52Å; H618-F666 AromaticContact ND1-CG 3.48Å; H618-F666 WeakPolarHBondContact ND1-CG 3.31Å; T662-F666 WeakPolarHBondContact O-CB 3.23Å; T662-F666 PolarHBondContact O-N 2.83Å; H663-F666 PolarHBondContact O-N 3.33Å; F666-K668 PolarHBondContact O-N 3.3Å; F666-D669 PolarHBondContact O-N 3.35Å; F666-C670 HydrophobicContact CE1-CB 4.11Å; F666-C670 HydrophobicContact CZ-CB 4.3Å; F666-C670 PolarHBondContact O-N 3.47Å
667L88.1Confident85.4Confident28 Ų2882.3 Ų82.315%0.14743%0.425CS..Hα-helixtrans-75.1-3.3177.8-68.5166.2000114.4H618 L622 H663 S665 C670H618-L667 HydrophobicContact CB-CD1 4.33Å; H618-L667 HydrophobicContact CB-CD2 4.22Å; H618-L667 HydrophobicContact CB-CG 4.1Å; L622-L667 HydrophobicContact CB-CD1 4.28Å; L622-L667 HydrophobicContact CD2-CD1 3.67Å; H663-L667 WeakPolarHBondContact O-CB 3.21Å; H663-L667 WeakPolarHBondContact O-CD1 3.36Å; H663-L667 WeakPolarHBondContact O-CG 3.44Å; H663-L667 PolarHBondContact O-N 2.71Å; S665-L667 VanDerWaalsContact C-N 3.3Å; S665-L667 PolarHBondContact O-N 3.18Å; L667-C670 WeakPolarHBondContact CA-O 3.12Å
668K87.5Confident85.2Confident162 Ų16281 Ų8170%0.70442%0.423SS*.Hα-helixtrans-89.7-37.3166-73.4167.2-176.2170.70111.7E664 S665 F666E664-K668 WeakPolarHBondContact O-CD 3.1Å; E664-K668 WeakPolarHBondContact O-CE 3.41Å; E664-K668 VanDerWaalsContact O-CG 3.3Å; E664-K668 WeakPolarHBondContact O-CG 3.45Å; S665-K668 WeakPolarHBondContact O-CB 3.19Å; S665-K668 PolarHBondContact O-N 2.8Å; F666-K668 PolarHBondContact O-N 3.3Å
669D84.1Confident85.2Confident123 Ų12378.9 Ų78.966%0.65842%0.416SS*.Hα-helixtrans-79.3-28.9178.8-57.9-30.2000111.7S665 F666S665-D669 PolarHBondContact O-N 3.02Å; F666-D669 PolarHBondContact O-N 3.35Å
670C85.1Confident85Confident32 Ų3282.9 Ų82.922%0.21644%0.436CS..SBendtrans-13786.7176.9-69.70000109.6T615 F666 L667T615-C670 HydrophobicContact CG2-CB 3.8Å; F666-C670 HydrophobicContact CE1-CB 4.11Å; F666-C670 HydrophobicContact CZ-CB 4.3Å; F666-C670 PolarHBondContact O-N 3.47Å; L667-C670 WeakPolarHBondContact CA-O 3.12Å
671P86.1Confident84.9Confident100 Ų10084.1 Ų84.165%0.64944%0.442SS*.PPolyproline II helixtrans-64150.8-179.427.3-34.9000112.1
672Y86.1Confident84.9Confident69 Ų6988 Ų8827%0.27145%0.453SS..PPolyproline II helixtrans-87.8116.9175179.9-100000110.3M616 Y619 Q674M616-Y672 HydrophobicContact CG-CE2 4.08Å; M616-Y672 HydrophobicContact SD-CE2 4.09Å; Y619-Y672 AromaticContact CD1-CD1 3.98Å; Y619-Y672 HydrophobicContact CD1-CD1 3.98Å; Y619-Y672 HydrophobicContact CD1-CD2 4.39Å; Y619-Y672 AromaticContact CD1-CE1 3.82Å; Y619-Y672 HydrophobicContact CD1-CE1 3.82Å; Y619-Y672 HydrophobicContact CD1-CE2 4.28Å; Y619-Y672 HydrophobicContact CD1-CG 4.25Å; Y619-Y672 AromaticContact CD1-CZ 3.99Å; Y619-Y672 AromaticContact CD2-CD1 3.46Å; Y619-Y672 HydrophobicContact CD2-CD1 3.46Å; Y619-Y672 VanDerWaalsContact CD2-CD1 3.46Å; Y619-Y672 HydrophobicContact CD2-CD2 4.27Å; Y619-Y672 HydrophobicContact CD2-CE1 4.15Å; Y619-Y672 AromaticContact CD2-CG 3.51Å; Y619-Y672 HydrophobicContact CD2-CG 3.51Å; Y619-Y672 AromaticContact CE1-CD1 3.9Å; Y619-Y672 HydrophobicContact CE1-CD1 3.9Å; Y619-Y672 AromaticContact CE1-CE1 3.58Å; Y619-Y672 HydrophobicContact CE1-CE1 3.58Å; Y619-Y672 AromaticContact CE2-CD1 3.37Å; Y619-Y672 HydrophobicContact CE2-CD1 3.37Å; Y619-Y672 AromaticContact CE2-CE1 3.94Å; Y619-Y672 HydrophobicContact CE2-CE1 3.94Å; Y619-Y672 AromaticContact CE2-CG 3.94Å; Y619-Y672 HydrophobicContact CE2-CG 3.94Å; Y619-Y672 AromaticContact CG-CD1 3.75Å; Y619-Y672 HydrophobicContact CG-CD1 3.75Å; Y619-Y672 AromaticContact CG-CD2 3.97Å; Y619-Y672 HydrophobicContact CG-CD2 3.97Å; Y619-Y672 HydrophobicContact CG-CE1 4.09Å; Y619-Y672 HydrophobicContact CG-CE2 4.31Å; Y619-Y672 AromaticContact CG-CG 3.67Å; Y619-Y672 HydrophobicContact CG-CG 3.67Å; Y619-Y672 AromaticContact CZ-CD1 3.58Å; Y619-Y672 AromaticContact CZ-CE1 3.63Å; Y672-Q674 HydrophobicContact CD1-CG 4.17Å; Y672-Q674 HydrophobicContact CE1-CG 4.12Å
673E83.6Confident84.8Confident140 Ų14086.9 Ų86.965%0.65445%0.451SS*.PPolyproline II helixtrans-77.4148.3178.6-167.8153.7-149.700111.5F675E673-F675 HydrophobicContact CB-CE2 4.46Å; E673-F675 HydrophobicContact CB-CZ 4.21Å; E673-F675 HydrophobicContact CG-CE1 3.96Å; E673-F675 HydrophobicContact CG-CE2 4.46Å; E673-F675 HydrophobicContact CG-CZ 3.9Å
674Q79.7Confident84.6Confident127 Ų12792.5 Ų92.559%0.59348%0.478SS*.  trans-125.4100.9-179.1-68.9-17435.600110Y672Y672-Q674 HydrophobicContact CD1-CG 4.17Å; Y672-Q674 HydrophobicContact CE1-CG 4.12Å
675F81.2Confident84.6Confident99 Ų9993.5 Ų93.543%0.43449%0.485SS..  trans-71.6153.2178.9-57.8-70.9000112.7E673 D679 L680E673-F675 HydrophobicContact CB-CE2 4.46Å; E673-F675 HydrophobicContact CB-CZ 4.21Å; E673-F675 HydrophobicContact CG-CE1 3.96Å; E673-F675 HydrophobicContact CG-CE2 4.46Å; E673-F675 HydrophobicContact CG-CZ 3.9Å; F675-D679 HydrophobicContact CB-CB 4.36Å; F675-L680 HydrophobicContact CB-CD2 4.17Å; F675-L680 HydrophobicContact CB-CG 4.07Å
676V84.3Confident84.7Confident71 Ų7195.2 Ų95.243%0.4349%0.489SS..  trans-71.6145.8173.6-172.90000108.3D678 D679 L680V676-D678 HydrophobicContact CG1-CB 4.26Å; V676-D678 PolarHBondContact O-N 3.06Å; V676-D678 VanDerWaalsContact O-N 3.12Å; V676-D679 WeakPolarHBondContact CB-OD2 3.16Å; V676-D679 WeakPolarHBondContact CG2-OD2 3.21Å; V676-D679 PolarHBondContact N-OD2 3Å; V676-D679 WeakPolarHBondContact O-CB 3.34Å; V676-D679 PolarHBondContact O-N 2.92Å; V676-D679 VanDerWaalsContact O-N 3.08Å; V676-L680 PolarHBondContact O-N 2.86Å; V676-L680 VanDerWaalsContact O-N 3.14Å
677P77.8Confident84.6Confident90 Ų9098.3 Ų98.358%0.58451%0.507SS*.Hα-helixtrans-54.7-28.4174.720.6-34.6000113.7K681P677-K681 PolarHBondContact O-N 3.23Å; P677-K681 VanDerWaalsContact O-N 3.12Å
678D81.4Confident84.4Confident116 Ų116103.4 Ų103.462%0.6253%0.53SS*.Hα-helixtrans-72.3-39.8176.6-55-51000112.1V676 L680 K681 M682V676-D678 HydrophobicContact CG1-CB 4.26Å; V676-D678 PolarHBondContact O-N 3.06Å; V676-D678 VanDerWaalsContact O-N 3.12Å; D678-L680 VanDerWaalsContact C-N 3.33Å; D678-L680 PolarHBondContact O-N 3.06Å; D678-K681 WeakPolarHBondContact O-CB 3.23Å; D678-K681 PolarHBondContact O-N 3.28Å; D678-M682 PolarHBondContact O-N 3.29Å
679D84.6Confident84.4Confident81 Ų81102.1 Ų102.143%0.43353%0.527SS..Hα-helixtrans-61-44.2173.7-51.3-33.4000110.7F675 V676 K681 M682 A683F675-D679 HydrophobicContact CB-CB 4.36Å; V676-D679 WeakPolarHBondContact CB-OD2 3.16Å; V676-D679 WeakPolarHBondContact CG2-OD2 3.21Å; V676-D679 PolarHBondContact N-OD2 3Å; V676-D679 WeakPolarHBondContact O-CB 3.34Å; V676-D679 PolarHBondContact O-N 2.92Å; V676-D679 VanDerWaalsContact O-N 3.08Å; D679-K681 VanDerWaalsContact C-N 3.29Å; D679-K681 PolarHBondContact O-N 2.96Å; D679-M682 PolarHBondContact O-N 3.44Å; D679-A683 WeakPolarHBondContact O-CB 3.49Å; D679-A683 PolarHBondContact O-N 3.06Å
680L80.1Confident84.5Confident99 Ų99102.6 Ų102.652%0.51853%0.525SS..Hα-helixtrans-62-37.9177.3-70.5172.4000111.6F675 V676 D678 A683 E684F675-L680 HydrophobicContact CB-CD2 4.17Å; F675-L680 HydrophobicContact CB-CG 4.07Å; V676-L680 PolarHBondContact O-N 2.86Å; V676-L680 VanDerWaalsContact O-N 3.14Å; D678-L680 VanDerWaalsContact C-N 3.33Å; D678-L680 PolarHBondContact O-N 3.06Å; L680-A683 PolarHBondContact O-N 3.08Å; L680-E684 WeakPolarHBondContact O-CB 3.36Å; L680-E684 PolarHBondContact O-N 2.68Å
681K83.3Confident84.4Confident135 Ų135107.3 Ų107.359%0.58755%0.545SS*.Hα-helixtrans-68-38.4175.3-130.6179.6-177.7-174.80112.3P677 D678 D679 E684 N685P677-K681 PolarHBondContact O-N 3.23Å; P677-K681 VanDerWaalsContact O-N 3.12Å; D678-K681 WeakPolarHBondContact O-CB 3.23Å; D678-K681 PolarHBondContact O-N 3.28Å; D679-K681 VanDerWaalsContact C-N 3.29Å; D679-K681 PolarHBondContact O-N 2.96Å; K681-E684 PolarHBondContact O-N 3.28Å; K681-N685 PolarHBondContact O-N 3.3Å; K681-N685 PolarHBondContact O-OD1 3.25Å
682M88.9Confident84.1Confident132 Ų132107.9 Ų107.965%0.6554%0.539SS*.Hα-helixtrans-67.1-38.2175.4-170.1166.9-177.100111.6D678 D679 L686D678-M682 PolarHBondContact O-N 3.29Å; D679-M682 PolarHBondContact O-N 3.44Å; M682-L686 WeakPolarHBondContact O-CG 3.48Å; M682-L686 PolarHBondContact O-N 3.29Å; M682-L686 VanDerWaalsContact O-N 3.13Å
683A85.2Confident84Confident48 Ų48109.6 Ų109.640%0.39756%0.557SS.*Hα-helixtrans-69-35.817300000113.1D679 L680 L686 L687D679-A683 WeakPolarHBondContact O-CB 3.49Å; D679-A683 PolarHBondContact O-N 3.06Å; L680-A683 PolarHBondContact O-N 3.08Å; A683-L686 PolarHBondContact O-N 3.12Å; A683-L687 WeakPolarHBondContact O-CB 3.39Å; A683-L687 WeakPolarHBondContact O-CG 3.42Å; A683-L687 PolarHBondContact O-N 3.21Å
684E84.4Confident83.8Confident123 Ų123106.7 Ų106.758%0.57555%0.548SS*.Hα-helixtrans-62.5-48.1174.4-171.8163-13000110.9L680 K681 L686 L687 E688L680-E684 WeakPolarHBondContact O-CB 3.36Å; L680-E684 PolarHBondContact O-N 2.68Å; K681-E684 PolarHBondContact O-N 3.28Å; E684-L686 PolarHBondContact O-N 3.46Å; E684-L687 PolarHBondContact O-N 3.16Å; E684-E688 PolarHBondContact O-N 2.59Å
685N88.9Confident83.6Confident93 Ų93106 Ų10650%0.49754%0.54SS..Hα-helixtrans-59.4-45.2174.6-67.2-0.4000112.6K681 L687 E688 E689K681-N685 PolarHBondContact O-N 3.3Å; K681-N685 PolarHBondContact O-OD1 3.25Å; N685-L687 VanDerWaalsContact C-N 3.3Å; N685-L687 PolarHBondContact O-N 3.44Å; N685-E688 PolarHBondContact O-N 3.22Å; N685-E689 PolarHBondContact O-N 3.25Å
686L89.9Confident83.5Confident94 Ų94106.6 Ų106.649%0.49255%0.548SS..Hα-helixtrans-62.9-36.4177.7-75.6167.4000112.1M682 A683 E684 E689 E690M682-L686 WeakPolarHBondContact O-CG 3.48Å; M682-L686 PolarHBondContact O-N 3.29Å; M682-L686 VanDerWaalsContact O-N 3.13Å; A683-L686 PolarHBondContact O-N 3.12Å; E684-L686 PolarHBondContact O-N 3.46Å; L686-E689 PolarHBondContact O-N 2.81Å; L686-E690 PolarHBondContact O-N 3.46Å
687L86.1Confident83.3Confident103 Ų103106.6 Ų106.654%0.53956%0.562SS.*Hα-helixtrans-68.9-34.6173.8-82.9168.5000112.6A683 E684 N685 M691A683-L687 WeakPolarHBondContact O-CB 3.39Å; A683-L687 WeakPolarHBondContact O-CG 3.42Å; A683-L687 PolarHBondContact O-N 3.21Å; E684-L687 PolarHBondContact O-N 3.16Å; N685-L687 VanDerWaalsContact C-N 3.3Å; N685-L687 PolarHBondContact O-N 3.44Å; L687-M691 WeakPolarHBondContact O-CB 3.34Å; L687-M691 WeakPolarHBondContact O-CG 3.38Å; L687-M691 PolarHBondContact O-N 3.15Å
688E85Confident83.2Confident135 Ų135108.1 Ų108.163%0.63156%0.563SS**Hα-helixtrans-65.4-42.4172-70.3-160.3134.500111.9E684 N685 M691 H692E684-E688 PolarHBondContact O-N 2.59Å; N685-E688 PolarHBondContact O-N 3.22Å; E688-M691 PolarHBondContact O-N 3.28Å; E688-H692 PolarHBondContact O-N 2.95Å
689E87.6Confident82.6Confident134 Ų134105.7 Ų105.763%0.62657%0.565SS**Hα-helixtrans-60.9-50.1174.5-71-176176.400111.7N685 L686 M691 H692 V693N685-E689 PolarHBondContact O-N 3.25Å; L686-E689 PolarHBondContact O-N 2.81Å; E689-M691 PolarHBondContact O-N 3.32Å; E689-H692 PolarHBondContact O-N 3.35Å; E689-V693 WeakPolarHBondContact O-CG2 3.32Å; E689-V693 PolarHBondContact O-N 2.88Å; E689-V693 VanDerWaalsContact O-N 3.11Å
690E85.7Confident81.6Confident133 Ų133107 Ų10762%0.62157%0.569SS**Hα-helixtrans-63.5-40.6175.7-74.7-157.5153.900112.4L686 H692 V693 V694L686-E690 PolarHBondContact O-N 3.46Å; E690-H692 VanDerWaalsContact C-N 3.28Å; E690-H692 PolarHBondContact O-N 2.87Å; E690-V693 PolarHBondContact O-N 2.89Å; E690-V693 VanDerWaalsContact O-N 3.14Å; E690-V694 WeakPolarHBondContact O-CG2 3.48Å; E690-V694 PolarHBondContact O-N 2.9Å
691M81.9Confident81Confident131 Ų131104.7 Ų104.765%0.64557%0.569SS**Hα-helixtrans-60.9-36.9175.4-83.2179.548.300111.9L687 E688 E689 V694 R695L687-M691 WeakPolarHBondContact O-CB 3.34Å; L687-M691 WeakPolarHBondContact O-CG 3.38Å; L687-M691 PolarHBondContact O-N 3.15Å; E688-M691 PolarHBondContact O-N 3.28Å; E689-M691 PolarHBondContact O-N 3.32Å; M691-V694 PolarHBondContact O-N 3.43Å; M691-R695 WeakPolarHBondContact O-CB 3.49Å; M691-R695 PolarHBondContact O-N 3.48Å
692H79.7Confident80.1Confident113 Ų113105.7 Ų105.752%0.52358%0.576SS.*Hα-helixtrans-67.8-38175.2-161.4-39.6000111.8E688 E689 E690 N696E688-H692 PolarHBondContact O-N 2.95Å; E689-H692 PolarHBondContact O-N 3.35Å; E690-H692 VanDerWaalsContact C-N 3.28Å; E690-H692 PolarHBondContact O-N 2.87Å; H692-N696 PolarHBondContact ND1-ND2 3.25Å; H692-N696 WeakPolarHBondContact O-CB 3.23Å; H692-N696 VanDerWaalsContact O-CG 3.25Å; H692-N696 PolarHBondContact O-N 3.31Å; H692-N696 PolarHBondContact O-ND2 3.45Å
693V84.4Confident79.1Confident105 Ų105104.9 Ų104.964%0.63657%0.574SS**Hα-helixtrans-65.7-44.9173.9174.40000111.2E689 E690 N696 G697E689-V693 WeakPolarHBondContact O-CG2 3.32Å; E689-V693 PolarHBondContact O-N 2.88Å; E689-V693 VanDerWaalsContact O-N 3.11Å; E690-V693 PolarHBondContact O-N 2.89Å; E690-V693 VanDerWaalsContact O-N 3.14Å; V693-N696 PolarHBondContact O-N 3.28Å; V693-G697 PolarHBondContact O-N 2.86Å
694V79.6Confident78.7Confident78 Ų78105.8 Ų105.847%0.47358%0.577SS.*Hα-helixtrans-67.2-42178.9172.40000111.7E690 M691 N696 G697 M698E690-V694 WeakPolarHBondContact O-CG2 3.48Å; E690-V694 PolarHBondContact O-N 2.9Å; M691-V694 PolarHBondContact O-N 3.43Å; V694-N696 VanDerWaalsContact C-N 3.3Å; V694-N696 PolarHBondContact O-N 3.44Å; V694-G697 PolarHBondContact O-N 2.87Å; V694-M698 HydrophobicContact CG1-CG 4.15Å; V694-M698 HydrophobicContact CG1-SD 3.67Å; V694-M698 WeakPolarHBondContact O-CB 3.28Å; V694-M698 WeakPolarHBondContact O-CG 3.37Å; V694-M698 PolarHBondContact O-N 3.42Å
695R75.7Confident78.4Confident113 Ų113103.4 Ų103.443%0.42658%0.578SS.*Hα-helixtrans-55.1-47.1174.5-178.4-169.1-96.8-155.4-8110.9M691 G699 H700 E702M691-R695 WeakPolarHBondContact O-CB 3.49Å; M691-R695 PolarHBondContact O-N 3.48Å; R695-G699 PolarHBondContact O-N 2.62Å; R695-H700 HydrophobicContact CG-CB 4.42Å; R695-H700 WeakPolarHBondContact CG-O 3.37Å; R695-H700 PolarHBondContact O-N 3.12Å; R695-H700 VanDerWaalsContact O-N 3.1Å; R695-E702 IonicContact CZ-OE1 2.59Å; R695-E702 IonicContact NH1-OE1 2.7Å; R695-E702 PolarHBondContact NH1-OE1 2.85Å; R695-E702 IonicContact NH2-OE1 2.87Å
696N79.8Confident77.9Confident111 Ų111104.7 Ų104.759%0.59458%0.581SS**Hα-helixtrans-64.8-47.2175.8-71.3-13.7000111.8H692 V693 V694 M698 G699H692-N696 PolarHBondContact ND1-ND2 3.25Å; H692-N696 WeakPolarHBondContact O-CB 3.23Å; H692-N696 VanDerWaalsContact O-CG 3.25Å; H692-N696 PolarHBondContact O-N 3.31Å; H692-N696 PolarHBondContact O-ND2 3.45Å; V693-N696 PolarHBondContact O-N 3.28Å; V694-N696 VanDerWaalsContact C-N 3.3Å; V694-N696 PolarHBondContact O-N 3.44Å; N696-M698 PolarHBondContact O-N 3.27Å; N696-G699 PolarHBondContact O-N 3.42Å
697G78.6Confident77.5Confident72 Ų72101.9 Ų101.974%0.74257%0.572SS**Hα-helixtrans-67-30.4-176.900000114.8V693 V694V693-G697 PolarHBondContact O-N 2.86Å; V694-G697 PolarHBondContact O-N 2.87Å
698M75.6Confident77.1Confident121 Ų121103.2 Ų103.260%0.59657%0.57SS**THydrogen-bonded Turntrans-91-3.1177.5-64-174.569.900113.7V694 N696 H700V694-M698 HydrophobicContact CG1-CG 4.15Å; V694-M698 HydrophobicContact CG1-SD 3.67Å; V694-M698 WeakPolarHBondContact O-CB 3.28Å; V694-M698 WeakPolarHBondContact O-CG 3.37Å; V694-M698 PolarHBondContact O-N 3.42Å; N696-M698 PolarHBondContact O-N 3.27Å; M698-H700 VanDerWaalsContact C-N 3.26Å; M698-H700 PolarHBondContact O-N 2.87Å
699G69.7Low77Confident65 Ų6598.7 Ų98.767%0.6756%0.556SS**THydrogen-bonded Turntrans67.823.6-177.600000113.9R695 N696 G701R695-G699 PolarHBondContact O-N 2.62Å; N696-G699 PolarHBondContact O-N 3.42Å; G699-G701 PolarHBondContact O-N 3.18Å
700H64.4Low76.9Confident108 Ų10897.9 Ų97.950%0.555%0.55SS.*  trans-80.682.1178.6-71.8-36.9000110.7R695 M698R695-H700 HydrophobicContact CG-CB 4.42Å; R695-H700 WeakPolarHBondContact CG-O 3.37Å; R695-H700 PolarHBondContact O-N 3.12Å; R695-H700 VanDerWaalsContact O-N 3.1Å; M698-H700 VanDerWaalsContact C-N 3.26Å; M698-H700 PolarHBondContact O-N 2.87Å
701G65.8Low76.8Confident51 Ų5195.3 Ų95.353%0.52654%0.544SS..  trans-59.4165.5166.900000112.2G699 L703G699-G701 PolarHBondContact O-N 3.18Å; G701-L703 PolarHBondContact O-N 2.82Å
702E65.2Low76.9Confident156 Ų15695.9 Ų95.973%0.72954%0.539SS*.  trans-70.499.2-174.9-55.5-154.3123.600111.8R695 S704R695-E702 IonicContact CZ-OE1 2.59Å; R695-E702 IonicContact NH1-OE1 2.7Å; R695-E702 PolarHBondContact NH1-OE1 2.85Å; R695-E702 IonicContact NH2-OE1 2.87Å; E702-S704 PolarHBondContact O-N 3.43Å
703L67Low77Confident116 Ų11696.4 Ų96.461%0.60754%0.541SS*.  trans-62.6118.6164.5-82.280.5000107.8G701G701-L703 PolarHBondContact O-N 2.82Å
704S78.2Confident77.1Confident66 Ų6697.6 Ų97.646%0.46254%0.539SS..  trans-58.3149.5172.775.70000110.3E702 E706 A707 Y708E702-S704 PolarHBondContact O-N 3.43Å; S704-E706 PolarHBondContact O-N 3.41Å; S704-A707 WeakPolarHBondContact O-CB 3.46Å; S704-A707 PolarHBondContact O-N 3.35Å; S704-A707 PolarHBondContact OG-N 3.09Å; S704-A707 VanDerWaalsContact OG-N 3.17Å; S704-Y708 PolarHBondContact O-N 3.21Å
705A77.1Confident77.3Confident73 Ų7397 Ų9760%0.60354%0.538SS*.Hα-helixtrans-54.8-28.1175.900000112.2A709A705-A709 WeakPolarHBondContact O-CB 3.46Å; A705-A709 PolarHBondContact O-N 2.88Å
706E79.6Confident77.6Confident121 Ų12195.5 Ų95.557%0.56554%0.538SS*.Hα-helixtrans-73.2-37.6175.1-154.9-152.7-146.700113.1S704 A709 K710S704-E706 PolarHBondContact O-N 3.41Å; E706-A709 PolarHBondContact O-N 2.83Å; E706-K710 WeakPolarHBondContact O-CB 3.32Å; E706-K710 VanDerWaalsContact O-CG 3.3Å; E706-K710 WeakPolarHBondContact O-CG 3.42Å; E706-K710 PolarHBondContact O-N 2.98Å; E706-K710 IonicContact OE1-NZ 2.66Å; E706-K710 IonicContact OE2-NZ 2.87Å; E706-K710 PolarHBondContact OE2-NZ 3.4Å
707A80.2Confident77.7Confident35 Ų3594.5 Ų94.529%0.28954%0.54SS..Hα-helixtrans-66.3-43.3172.600000111.2S704 K710 V711S704-A707 WeakPolarHBondContact O-CB 3.46Å; S704-A707 PolarHBondContact O-N 3.35Å; S704-A707 PolarHBondContact OG-N 3.09Å; S704-A707 VanDerWaalsContact OG-N 3.17Å; A707-K710 PolarHBondContact O-N 3Å; A707-V711 PolarHBondContact O-N 2.71Å; A707-V711 VanDerWaalsContact O-N 3.1Å
708Y79.1Confident78Confident131 Ų13196 Ų9651%0.51453%0.527SS..Hα-helixtrans-59.1-47.3171.7-178.6-93.1000111.4S704 K710 V711 W712S704-Y708 PolarHBondContact O-N 3.21Å; Y708-K710 VanDerWaalsContact C-N 3.34Å; Y708-K710 PolarHBondContact O-N 3.28Å; Y708-V711 PolarHBondContact O-N 3.24Å; Y708-W712 VanDerWaalsContact O-CB 3.22Å; Y708-W712 WeakPolarHBondContact O-CB 3.46Å; Y708-W712 PolarHBondContact O-N 2.88Å
709A81.5Confident78.4Confident39 Ų3993.3 Ų93.332%0.32252%0.518SS..Hα-helixtrans-62-37.7178.300000112.8A705 E706 H713A705-A709 WeakPolarHBondContact O-CB 3.46Å; A705-A709 PolarHBondContact O-N 2.88Å; E706-A709 PolarHBondContact O-N 2.83Å; A709-H713 WeakPolarHBondContact O-CB 3.15Å; A709-H713 PolarHBondContact O-CD2 2.76Å; A709-H713 PolarHBondContact O-N 2.92Å
710K85.7Confident79.2Confident118 Ų11891.1 Ų91.151%0.51349%0.491SS..Hα-helixtrans-62.5-53.2175-78.2163.4177.8165.60111.6E706 A707 Y708 W712 H713 E714E706-K710 WeakPolarHBondContact O-CB 3.32Å; E706-K710 VanDerWaalsContact O-CG 3.3Å; E706-K710 WeakPolarHBondContact O-CG 3.42Å; E706-K710 PolarHBondContact O-N 2.98Å; E706-K710 IonicContact OE1-NZ 2.66Å; E706-K710 IonicContact OE2-NZ 2.87Å; E706-K710 PolarHBondContact OE2-NZ 3.4Å; A707-K710 PolarHBondContact O-N 3Å; Y708-K710 VanDerWaalsContact C-N 3.34Å; Y708-K710 PolarHBondContact O-N 3.28Å; K710-W712 VanDerWaalsContact C-N 3.31Å; K710-W712 PolarHBondContact O-N 3.39Å; K710-H713 PolarHBondContact O-N 3.33Å; K710-E714 PolarHBondContact O-N 3.27Å
711V83.5Confident80.2Confident79 Ų7990.1 Ų90.148%0.47948%0.483SS..Hα-helixtrans-61.4-40.9177.2175.30000111.1A707 Y708 E714 C715A707-V711 PolarHBondContact O-N 2.71Å; A707-V711 VanDerWaalsContact O-N 3.1Å; Y708-V711 PolarHBondContact O-N 3.24Å; V711-E714 PolarHBondContact O-N 3.41Å; V711-C715 WeakPolarHBondContact O-CB 3.4Å; V711-C715 PolarHBondContact O-N 2.84Å; V711-C715 PolarHBondContact O-SG 2.92Å; V711-C715 VanDerWaalsContact O-SG 3.4Å
712W83.6Confident81.1Confident143 Ų14388.1 Ų88.154%0.54246%0.46SS..Hα-helixtrans-61.5-43.5175-177.8-107000112.2Y708 K710 C715 L716Y708-W712 VanDerWaalsContact O-CB 3.22Å; Y708-W712 WeakPolarHBondContact O-CB 3.46Å; Y708-W712 PolarHBondContact O-N 2.88Å; K710-W712 VanDerWaalsContact C-N 3.31Å; K710-W712 PolarHBondContact O-N 3.39Å; W712-C715 PolarHBondContact O-N 3.38Å; W712-L716 WeakPolarHBondContact O-CB 3.18Å; W712-L716 PolarHBondContact O-N 3.44Å
713H82.3Confident81.9Confident124 Ų12482.3 Ų82.357%0.57444%0.436SS*.Hα-helixtrans-63.4-41.2175.2-92.2-72.2000112.5A709 K710 L716 S717A709-H713 WeakPolarHBondContact O-CB 3.15Å; A709-H713 PolarHBondContact O-CD2 2.76Å; A709-H713 PolarHBondContact O-N 2.92Å; K710-H713 PolarHBondContact O-N 3.33Å; H713-L716 PolarHBondContact O-N 3.06Å; H713-S717 WeakPolarHBondContact O-CB 3.41Å; H713-S717 PolarHBondContact O-N 2.59Å
714E86.1Confident82.6Confident129 Ų12980 Ų8060%0.60343%0.434SS*.Hα-helixtrans-61.9-50.9173.5-72.3-166.7127.100111.6K710 V711 L716 S717 Q718K710-E714 PolarHBondContact O-N 3.27Å; V711-E714 PolarHBondContact O-N 3.41Å; E714-L716 VanDerWaalsContact C-N 3.31Å; E714-L716 PolarHBondContact O-N 3.11Å; E714-S717 PolarHBondContact O-N 2.77Å; E714-S717 PolarHBondContact O-OG 2.71Å; E714-Q718 WeakPolarHBondContact O-CG 3.15Å; E714-Q718 PolarHBondContact O-N 3.31Å
715C83.9Confident82.8Confident65 Ų6581.6 Ų81.644%0.43943%0.434SS..Hα-helixtrans-59.2-40.7176.4-70.30000112.4V711 W712 Q718 V719V711-C715 WeakPolarHBondContact O-CB 3.4Å; V711-C715 PolarHBondContact O-N 2.84Å; V711-C715 PolarHBondContact O-SG 2.92Å; V711-C715 VanDerWaalsContact O-SG 3.4Å; W712-C715 PolarHBondContact O-N 3.38Å; C715-Q718 PolarHBondContact O-N 3.48Å; C715-V719 WeakPolarHBondContact O-CG2 3.5Å
716L82.3Confident82.9Confident83 Ų8387.8 Ų87.844%0.43544%0.442SS..Hα-helixtrans-67-40177.9-168.474.4000111.6W712 H713 E714 Q718 V719W712-L716 WeakPolarHBondContact O-CB 3.18Å; W712-L716 PolarHBondContact O-N 3.44Å; H713-L716 PolarHBondContact O-N 3.06Å; E714-L716 VanDerWaalsContact C-N 3.31Å; E714-L716 PolarHBondContact O-N 3.11Å; L716-Q718 PolarHBondContact O-N 3.23Å; L716-V719 PolarHBondContact O-N 2.82Å
717S82.8Confident83Confident90 Ų9088.3 Ų88.363%0.62944%0.439SS*.Hα-helixtrans-60.9-31.4177.478.20000112.8H713 E714 V719H713-S717 WeakPolarHBondContact O-CB 3.41Å; H713-S717 PolarHBondContact O-N 2.59Å; E714-S717 PolarHBondContact O-N 2.77Å; E714-S717 PolarHBondContact O-OG 2.71Å; S717-V719 VanDerWaalsContact C-N 3.28Å; S717-V719 PolarHBondContact O-N 2.71Å
718Q84.6Confident83.2Confident102 Ų10294.5 Ų94.548%0.47746%0.455SS..THydrogen-bonded Turntrans-75.7-14.9176.6-65.5178.733.200112.9E714 C715 L716 R730 A731E714-Q718 WeakPolarHBondContact O-CG 3.15Å; E714-Q718 PolarHBondContact O-N 3.31Å; C715-Q718 PolarHBondContact O-N 3.48Å; L716-Q718 PolarHBondContact O-N 3.23Å; Q718-R730 CarbonylContact O-C 3.48Å; Q718-R730 VanDerWaalsContact O-CA 3.22Å; Q718-R730 WeakPolarHBondContact O-CA 3.48Å; Q718-A731 PolarHBondContact O-N 3.19Å
719V84.6Confident83.4Confident66 Ų6689.6 Ų89.640%0.444%0.439SS..EExtended strand (participates in β ladder)trans-111.2114.9-170175.80000111.6C715 L716 S717 Y728C715-V719 WeakPolarHBondContact O-CG2 3.5Å; L716-V719 PolarHBondContact O-N 2.82Å; S717-V719 VanDerWaalsContact C-N 3.28Å; S717-V719 PolarHBondContact O-N 2.71Å; V719-Y728 HydrophobicContact CG1-CD1 3.86Å; V719-Y728 HydrophobicContact CG1-CG 4.23Å
720L85.2Confident83.6Confident18 Ų1895.8 Ų95.89%0.09445%0.454CS..EExtended strand (participates in β ladder)trans-112.8132.8-170.5-15887.9000110.8L722 Y728 T729 A731 V734 R739 S742L720-L722 HydrophobicContact CD2-CD2 4.37Å; L720-Y728 CarbonylContact O-C 3.58Å; L720-Y728 WeakPolarHBondContact O-CA 3.45Å; L720-T729 WeakPolarHBondContact CB-O 3.47Å; L720-T729 PolarHBondContact N-O 3.17Å; L720-T729 PolarHBondContact O-N 3.17Å; L720-A731 HydrophobicContact CB-CB 4.25Å; L720-A731 HydrophobicContact CD1-CB 4.42Å; L720-V734 HydrophobicContact CD2-CB 4.05Å; L720-V734 HydrophobicContact CD2-CG1 3.76Å; L720-V734 HydrophobicContact CD2-CG2 3.94Å; L720-R739 HydrophobicContact CD2-CB 4.41Å; L720-R739 HydrophobicContact CD2-CG 3.95Å; L720-S742 WeakPolarHBondContact CD1-OG 3.3Å; L720-S742 VanDerWaalsContact CD2-OG 3.3Å; L720-S742 WeakPolarHBondContact CD2-OG 3.28Å; L720-S742 WeakPolarHBondContact CG-OG 3.36Å
721Y84.9Confident83.4Confident88 Ų8890.9 Ų90.935%0.34544%0.436SS..EExtended strand (participates in β ladder)trans-86.4126174.2-175.9-102000111.3P723 R726 Y728 S742Y721-P723 HydrophobicContact CD1-CG 4.33Å; Y721-P723 HydrophobicContact CE1-CB 4.38Å; Y721-P723 WeakPolarHBondContact O-CD 3.35Å; Y721-R726 WeakPolarHBondContact OH-CA 3.29Å; Y721-Y728 HydrophobicContact CD2-CD1 4.06Å; Y721-Y728 HydrophobicContact CD2-CD2 4.09Å; Y721-Y728 AromaticContact CD2-CE1 3.82Å; Y721-Y728 HydrophobicContact CD2-CE1 3.82Å; Y721-Y728 AromaticContact CD2-CE2 3.81Å; Y721-Y728 HydrophobicContact CD2-CE2 3.81Å; Y721-Y728 HydrophobicContact CD2-CG 4.21Å; Y721-Y728 AromaticContact CD2-CZ 3.68Å; Y721-Y728 HydrophobicContact CE2-CE2 4.28Å; Y721-Y728 HydrophobicContact CG-CE1 4.2Å; Y721-S742 WeakPolarHBondContact O-CB 3.41Å
722L85.8Confident83.4Confident8 Ų894.1 Ų94.14%0.04245%0.451CS..EExtended strand (participates in β ladder)trans-95.5108.9176.3-63.3-178.8000110.4L720 H725 R726 R727 T729 V734 D738L720-L722 HydrophobicContact CD2-CD2 4.37Å; L722-H725 HydrophobicContact CB-CB 3.92Å; L722-H725 HydrophobicContact CD1-CB 4.23Å; L722-H725 CarbonylContact O-C 3.57Å; L722-H725 PolarHBondContact O-N 2.96Å; L722-R726 WeakPolarHBondContact O-CA 3.42Å; L722-R726 PolarHBondContact O-N 3.38Å; L722-R727 HydrophobicContact CD1-CG 4.36Å; L722-R727 PolarHBondContact N-O 3.2Å; L722-T729 HydrophobicContact CD1-CG2 3.85Å; L722-T729 VanDerWaalsContact CD1-OG1 3.31Å; L722-T729 WeakPolarHBondContact CD1-OG1 3.42Å; L722-T729 WeakPolarHBondContact CG-OG1 3.43Å; L722-V734 HydrophobicContact CD2-CG1 3.62Å; L722-V734 HydrophobicContact CD2-CG2 4Å; L722-D738 HydrophobicContact CD2-CB 3.98Å
723P82Confident83.5Confident34 Ų3494.2 Ų94.222%0.22146%0.461CS..THydrogen-bonded Turntrans-65.6-44.9-176.4-16.630.3000112.3Y721 H725 R726 E741 K745Y721-P723 HydrophobicContact CD1-CG 4.33Å; Y721-P723 HydrophobicContact CE1-CB 4.38Å; Y721-P723 WeakPolarHBondContact O-CD 3.35Å; P723-H725 VanDerWaalsContact C-N 3.26Å; P723-H725 PolarHBondContact O-N 3.37Å; P723-R726 PolarHBondContact O-N 2.79Å; P723-E741 VanDerWaalsContact CB-OE1 3.27Å; P723-E741 WeakPolarHBondContact CB-OE1 3.07Å; P723-E741 WeakPolarHBondContact CD-OE1 3.49Å; P723-E741 HydrophobicContact CG-CG 4.11Å; P723-K745 HydrophobicContact CG-CB 3.96Å; P723-K745 HydrophobicContact CG-CG 4.24Å
724A81.3Confident83.5Confident69 Ų6988.8 Ų88.857%0.5744%0.436SS*.THydrogen-bonded Turntrans-53.7-36.5173.100000114.5E741A724-E741 WeakPolarHBondContact CB-OE1 3.37Å; A724-E741 PolarHBondContact N-OE1 3.38Å
725H82Confident83.6Confident98 Ų9886.4 Ų86.445%0.45443%0.431SS..THydrogen-bonded Turntrans-101.8-5.9-176.9-66.885.3000114L722 P723 R727L722-H725 HydrophobicContact CB-CB 3.92Å; L722-H725 HydrophobicContact CD1-CB 4.23Å; L722-H725 CarbonylContact O-C 3.57Å; L722-H725 PolarHBondContact O-N 2.96Å; P723-H725 VanDerWaalsContact C-N 3.26Å; P723-H725 PolarHBondContact O-N 3.37Å; H725-R727 HydrophobicContact CB-CG 3.8Å; H725-R727 PolarHBondContact O-N 2.83Å; H725-R727 VanDerWaalsContact O-N 3.09Å
726R79.5Confident83.8Confident203 Ų20391.6 Ų91.677%0.76645%0.446SS*.THydrogen-bonded Turntrans49.528.1-175.3-56.4-174.1-178.1-167.60.9115.6Y721 L722 P723Y721-R726 WeakPolarHBondContact OH-CA 3.29Å; L722-R726 WeakPolarHBondContact O-CA 3.42Å; L722-R726 PolarHBondContact O-N 3.38Å; P723-R726 PolarHBondContact O-N 2.79Å
727R82.8Confident84.1Confident133 Ų13397.4 Ų97.450%0.50246%0.462SS..EExtended strand (participates in β ladder)trans-128157.4-176.469.4-179176.8-179.5-3.4111.6L722 H725 T729L722-R727 HydrophobicContact CD1-CG 4.36Å; L722-R727 PolarHBondContact N-O 3.2Å; H725-R727 HydrophobicContact CB-CG 3.8Å; H725-R727 PolarHBondContact O-N 2.83Å; H725-R727 VanDerWaalsContact O-N 3.09Å; R727-T729 HydrophobicContact CG-CG2 4.2Å
728Y83.7Confident84.4Confident164 Ų16494.8 Ų94.864%0.64344%0.441SS*.EExtended strand (participates in β ladder)trans-86.6144.3165.9-66.1-86.4000110.6V719 L720 Y721V719-Y728 HydrophobicContact CG1-CD1 3.86Å; V719-Y728 HydrophobicContact CG1-CG 4.23Å; L720-Y728 CarbonylContact O-C 3.58Å; L720-Y728 WeakPolarHBondContact O-CA 3.45Å; Y721-Y728 HydrophobicContact CD2-CD1 4.06Å; Y721-Y728 HydrophobicContact CD2-CD2 4.09Å; Y721-Y728 AromaticContact CD2-CE1 3.82Å; Y721-Y728 HydrophobicContact CD2-CE1 3.82Å; Y721-Y728 AromaticContact CD2-CE2 3.81Å; Y721-Y728 HydrophobicContact CD2-CE2 3.81Å; Y721-Y728 HydrophobicContact CD2-CG 4.21Å; Y721-Y728 AromaticContact CD2-CZ 3.68Å; Y721-Y728 HydrophobicContact CE2-CE2 4.28Å; Y721-Y728 HydrophobicContact CG-CE1 4.2Å
729T84.4Confident84.4Confident29 Ų2994.4 Ų94.418%0.17844%0.435CS..EExtended strand (participates in β ladder)trans-147.8152.9178.443.20000110.1L720 L722 R727 A731 V734L720-T729 WeakPolarHBondContact CB-O 3.47Å; L720-T729 PolarHBondContact N-O 3.17Å; L720-T729 PolarHBondContact O-N 3.17Å; L722-T729 HydrophobicContact CD1-CG2 3.85Å; L722-T729 VanDerWaalsContact CD1-OG1 3.31Å; L722-T729 WeakPolarHBondContact CD1-OG1 3.42Å; L722-T729 WeakPolarHBondContact CG-OG1 3.43Å; R727-T729 HydrophobicContact CG-CG2 4.2Å; T729-A731 PolarHBondContact O-N 2.84Å; T729-V734 VanDerWaalsContact OG1-CG2 3.3Å; T729-V734 WeakPolarHBondContact OG1-CG2 3.35Å
730R84.5Confident84.6Confident169 Ų16995.2 Ų95.264%0.63844%0.436SS*.EExtended strand (participates in β ladder)trans-64130.9173.1-71.5-178.8176.5161.3-1.4110.6Q718 N732 L733Q718-R730 CarbonylContact O-C 3.48Å; Q718-R730 VanDerWaalsContact O-CA 3.22Å; Q718-R730 WeakPolarHBondContact O-CA 3.48Å; R730-N732 PolarHBondContact O-N 3.48Å; R730-L733 HydrophobicContact CB-CD1 4.23Å; R730-L733 HydrophobicContact CB-CG 4.36Å; R730-L733 WeakPolarHBondContact O-CB 3.27Å; R730-L733 PolarHBondContact O-N 3.35Å
731A81.8Confident84.8Confident15 Ų1597.2 Ų97.212%0.12445%0.445CS..G310 helixtrans-54-32.2-174.600000113.7Q718 L720 T729 L733 V734 R739Q718-A731 PolarHBondContact O-N 3.19Å; L720-A731 HydrophobicContact CB-CB 4.25Å; L720-A731 HydrophobicContact CD1-CB 4.42Å; T729-A731 PolarHBondContact O-N 2.84Å; A731-L733 VanDerWaalsContact C-N 3.25Å; A731-L733 PolarHBondContact O-N 3.17Å; A731-V734 PolarHBondContact O-N 2.86Å; A731-R739 PolarHBondContact O-NH2 3.35Å; A731-R739 VanDerWaalsContact O-NH2 3.15Å
732N83.7Confident84.9Confident147 Ų14793.5 Ų93.579%0.78643%0.432SS*.G310 helixtrans-65.9-23.7178.5-61.3-2.4000113.6R730R730-N732 PolarHBondContact O-N 3.48Å
733L84.4Confident84.9Confident145 Ų14598.2 Ų98.276%0.75945%0.454SS*.G310 helixtrans-91.92.6-179.3-58.3176.1000113.1R730 A731R730-L733 HydrophobicContact CB-CD1 4.23Å; R730-L733 HydrophobicContact CB-CG 4.36Å; R730-L733 WeakPolarHBondContact O-CB 3.27Å; R730-L733 PolarHBondContact O-N 3.35Å; A731-L733 VanDerWaalsContact C-N 3.25Å; A731-L733 PolarHBondContact O-N 3.17Å
734V82.9Confident85.4Confident10 Ų10102.1 Ų102.16%0.06147%0.469CS..SBendtrans-106.5133.2-169.7178.80000110.8L720 L722 T729 A731 D738 R739L720-V734 HydrophobicContact CD2-CB 4.05Å; L720-V734 HydrophobicContact CD2-CG1 3.76Å; L720-V734 HydrophobicContact CD2-CG2 3.94Å; L722-V734 HydrophobicContact CD2-CG1 3.62Å; L722-V734 HydrophobicContact CD2-CG2 4Å; T729-V734 VanDerWaalsContact OG1-CG2 3.3Å; T729-V734 WeakPolarHBondContact OG1-CG2 3.35Å; A731-V734 PolarHBondContact O-N 2.86Å; V734-D738 HydrophobicContact CG1-CB 3.5Å; V734-R739 HydrophobicContact CG1-CB 4.1Å; V734-R739 PolarHBondContact O-NH2 3.27Å
735T88.9Confident85.6Confident79 Ų79103.9 Ų103.949%0.48546%0.464SS..  trans-63156.9179.481.90000111.4R737 D738 R739T735-R737 PolarHBondContact O-N 2.93Å; T735-R737 VanDerWaalsContact O-N 3.16Å; T735-R737 PolarHBondContact OG1-N 2.93Å; T735-D738 WeakPolarHBondContact CB-OD2 3.41Å; T735-D738 VanDerWaalsContact CG2-OD2 3.28Å; T735-D738 WeakPolarHBondContact CG2-OD2 3.33Å; T735-D738 PolarHBondContact O-N 2.98Å; T735-D738 PolarHBondContact OG1-N 3.21Å; T735-D738 PolarHBondContact OG1-OD2 3.42Å; T735-R739 WeakPolarHBondContact O-CB 3.3Å; T735-R739 PolarHBondContact O-N 3.05Å
736K88.5Confident85.8Confident173 Ų173106 Ų10675%0.75247%0.468SS*.Hα-helixtrans-56.5-34.3178.8-172.2175-179.7178.40112.4I740K736-I740 HydrophobicContact CG-CD1 4.31Å; K736-I740 WeakPolarHBondContact O-CD1 3.41Å; K736-I740 VanDerWaalsContact O-CG1 3.29Å; K736-I740 WeakPolarHBondContact O-CG1 3.38Å; K736-I740 PolarHBondContact O-N 3.17Å
737R88.2Confident86.4Confident205 Ų205100.1 Ų100.177%0.77445%0.451SS*.Hα-helixtrans-68.1-54.5178.4-176.6-176.3-177.5114.65.8111.7T735 R739 I740 E741T735-R737 PolarHBondContact O-N 2.93Å; T735-R737 VanDerWaalsContact O-N 3.16Å; T735-R737 PolarHBondContact OG1-N 2.93Å; R737-R739 PolarHBondContact O-N 3.45Å; R737-I740 WeakPolarHBondContact O-CB 3.34Å; R737-I740 PolarHBondContact O-N 3.05Å; R737-I740 VanDerWaalsContact O-N 3.12Å; R737-E741 PolarHBondContact O-N 2.66Å
738D87.9Confident86.7Confident36 Ų3697 Ų9719%0.19345%0.445CS..Hα-helixtrans-62.8-31.7-179-54.3-45.1000111.5L722 V734 T735 E741 S742L722-D738 HydrophobicContact CD2-CB 3.98Å; V734-D738 HydrophobicContact CG1-CB 3.5Å; T735-D738 WeakPolarHBondContact CB-OD2 3.41Å; T735-D738 VanDerWaalsContact CG2-OD2 3.28Å; T735-D738 WeakPolarHBondContact CG2-OD2 3.33Å; T735-D738 PolarHBondContact O-N 2.98Å; T735-D738 PolarHBondContact OG1-N 3.21Å; T735-D738 PolarHBondContact OG1-OD2 3.42Å; D738-E741 PolarHBondContact O-N 2.83Å; D738-S742 PolarHBondContact O-N 3.1Å
739R86.4Confident86.8Confident93 Ų9393.7 Ų93.735%0.35144%0.435SS..Hα-helixtrans-65.9-44.2175.2-157.1-179.8-55-176.24.4111.2L720 A731 V734 T735 R737 S742 H743L720-R739 HydrophobicContact CD2-CB 4.41Å; L720-R739 HydrophobicContact CD2-CG 3.95Å; A731-R739 PolarHBondContact O-NH2 3.35Å; A731-R739 VanDerWaalsContact O-NH2 3.15Å; V734-R739 HydrophobicContact CG1-CB 4.1Å; V734-R739 PolarHBondContact O-NH2 3.27Å; T735-R739 WeakPolarHBondContact O-CB 3.3Å; T735-R739 PolarHBondContact O-N 3.05Å; R737-R739 PolarHBondContact O-N 3.45Å; R739-S742 PolarHBondContact O-N 2.88Å; R739-S742 PolarHBondContact O-OG 3.02Å; R739-H743 PolarHBondContact O-CD2 3.24Å; R739-H743 PolarHBondContact O-N 2.97Å; R739-H743 VanDerWaalsContact O-N 3.08Å
740I88.4Confident87.2Confident83 Ų8396.5 Ų96.543%0.42645%0.448SS..Hα-helixtrans-59.4-48.4173.3-68.5162.1000110.4K736 R737 S742 H743 E744K736-I740 HydrophobicContact CG-CD1 4.31Å; K736-I740 WeakPolarHBondContact O-CD1 3.41Å; K736-I740 VanDerWaalsContact O-CG1 3.29Å; K736-I740 WeakPolarHBondContact O-CG1 3.38Å; K736-I740 PolarHBondContact O-N 3.17Å; R737-I740 WeakPolarHBondContact O-CB 3.34Å; R737-I740 PolarHBondContact O-N 3.05Å; R737-I740 VanDerWaalsContact O-N 3.12Å; I740-S742 VanDerWaalsContact C-N 3.26Å; I740-S742 PolarHBondContact O-N 3.4Å; I740-H743 PolarHBondContact O-N 3.28Å; I740-E744 HydrophobicContact CG2-CG 4.11Å; I740-E744 WeakPolarHBondContact O-CG 3.36Å; I740-E744 PolarHBondContact O-N 3.38Å
741E88.7Confident87.5Confident60 Ų6095.4 Ų95.428%0.2844%0.444SS..Hα-helixtrans-55.6-39.5178-168.3-167.9129.700112.3P723 A724 R737 D738 K745P723-E741 VanDerWaalsContact CB-OE1 3.27Å; P723-E741 WeakPolarHBondContact CB-OE1 3.07Å; P723-E741 WeakPolarHBondContact CD-OE1 3.49Å; P723-E741 HydrophobicContact CG-CG 4.11Å; A724-E741 WeakPolarHBondContact CB-OE1 3.37Å; A724-E741 PolarHBondContact N-OE1 3.38Å; R737-E741 PolarHBondContact O-N 2.66Å; D738-E741 PolarHBondContact O-N 2.83Å; E741-K745 WeakPolarHBondContact O-CB 3.4Å; E741-K745 PolarHBondContact O-N 3.16Å
742S86.3Confident87.9Confident10 Ų10101.4 Ų101.47%0.0747%0.469CS..Hα-helixtrans-67.3-40175.278.80000113.3L720 Y721 D738 R739 I740 K745 R746L720-S742 WeakPolarHBondContact CD1-OG 3.3Å; L720-S742 VanDerWaalsContact CD2-OG 3.3Å; L720-S742 WeakPolarHBondContact CD2-OG 3.28Å; L720-S742 WeakPolarHBondContact CG-OG 3.36Å; Y721-S742 WeakPolarHBondContact O-CB 3.41Å; D738-S742 PolarHBondContact O-N 3.1Å; R739-S742 PolarHBondContact O-N 2.88Å; R739-S742 PolarHBondContact O-OG 3.02Å; I740-S742 VanDerWaalsContact C-N 3.26Å; I740-S742 PolarHBondContact O-N 3.4Å; S742-K745 PolarHBondContact O-N 2.79Å; S742-R746 WeakPolarHBondContact O-CB 3.22Å; S742-R746 PolarHBondContact O-N 3.48Å
743H87.6Confident88.2Confident108 Ų10899.5 Ų99.550%0.546%0.459SS..Hα-helixtrans-73-38.5179.3-72.2-62000111.3R739 I740 K745 R746 L747R739-H743 PolarHBondContact O-CD2 3.24Å; R739-H743 PolarHBondContact O-N 2.97Å; R739-H743 VanDerWaalsContact O-N 3.08Å; I740-H743 PolarHBondContact O-N 3.28Å; H743-K745 VanDerWaalsContact C-N 3.31Å; H743-K745 PolarHBondContact O-N 2.85Å; H743-R746 PolarHBondContact O-N 3.08Å; H743-L747 WeakPolarHBondContact O-CB 3.4Å; H743-L747 PolarHBondContact O-N 3.04Å
744E91Very high88.6Confident116 Ų11698.6 Ų98.654%0.54245%0.452SS..Hα-helixtrans-56.4-46.9168.6-72176156.200110.4I740 R746 L747 D748I740-E744 HydrophobicContact CG2-CG 4.11Å; I740-E744 WeakPolarHBondContact O-CG 3.36Å; I740-E744 PolarHBondContact O-N 3.38Å; E744-R746 PolarHBondContact O-N 3.43Å; E744-L747 PolarHBondContact O-N 3.08Å; E744-D748 PolarHBondContact O-N 3.04Å
745K87.3Confident89Confident105 Ų105100.1 Ų100.146%0.45747%0.466SS..Hα-helixtrans-68-34.1179.8-166.551.8172.6175.30113.4P723 E741 S742 H743 Q749P723-K745 HydrophobicContact CG-CB 3.96Å; P723-K745 HydrophobicContact CG-CG 4.24Å; E741-K745 WeakPolarHBondContact O-CB 3.4Å; E741-K745 PolarHBondContact O-N 3.16Å; S742-K745 PolarHBondContact O-N 2.79Å; H743-K745 VanDerWaalsContact C-N 3.31Å; H743-K745 PolarHBondContact O-N 2.85Å; K745-Q749 WeakPolarHBondContact O-CG 3.21Å; K745-Q749 PolarHBondContact O-N 3.27Å
746R85.6Confident89Confident142 Ų142101.6 Ų101.654%0.53647%0.467SS..Hα-helixtrans-67.8-40.1172.1-174.761.6169.5174.7-1.6111.5S742 H743 E744 Q749 L750S742-R746 WeakPolarHBondContact O-CB 3.22Å; S742-R746 PolarHBondContact O-N 3.48Å; H743-R746 PolarHBondContact O-N 3.08Å; E744-R746 PolarHBondContact O-N 3.43Å; R746-Q749 WeakPolarHBondContact O-CB 3.37Å; R746-Q749 PolarHBondContact O-N 3.46Å; R746-L750 HydrophobicContact CG-CD1 4.35Å; R746-L750 WeakPolarHBondContact O-CG 3.33Å; R746-L750 PolarHBondContact O-N 3Å
747L90.6Very high89.1Confident81 Ų8196.9 Ų96.942%0.42445%0.448SS..Hα-helixtrans-65.6-39.7177.4-168.1161.2000110.8H743 E744 L750 R751H743-L747 WeakPolarHBondContact O-CB 3.4Å; H743-L747 PolarHBondContact O-N 3.04Å; E744-L747 PolarHBondContact O-N 3.08Å; L747-L750 PolarHBondContact O-N 2.88Å; L747-R751 HydrophobicContact CD2-CG 4Å; L747-R751 VanDerWaalsContact CD2-NE 3.26Å; L747-R751 WeakPolarHBondContact O-CB 3.17Å; L747-R751 WeakPolarHBondContact O-CG 3.35Å; L747-R751 PolarHBondContact O-N 2.93Å
748D89.7Confident89.4Confident67 Ų6789.7 Ų89.736%0.35843%0.432SS..Hα-helixtrans-67.1-34.4173.1-81.7-9.8000113.5E744 R751 H752E744-D748 PolarHBondContact O-N 3.04Å; D748-R751 IonicContact OD1-CZ 3.5Å; D748-R751 IonicContact OD1-NH1 2.71Å; D748-R751 PolarHBondContact OD1-NH1 3.4Å; D748-H752 PolarHBondContact O-N 3.47Å
749Q87Confident89.6Confident94 Ų9494.1 Ų94.144%0.43945%0.45SS..Hα-helixtrans-62.9-46.1169.7-72.1172.1-13.500111K745 R746 H752 L753K745-Q749 WeakPolarHBondContact O-CG 3.21Å; K745-Q749 PolarHBondContact O-N 3.27Å; R746-Q749 WeakPolarHBondContact O-CB 3.37Å; R746-Q749 PolarHBondContact O-N 3.46Å; Q749-H752 WeakPolarHBondContact O-CB 3.37Å; Q749-H752 PolarHBondContact O-N 3.47Å; Q749-L753 PolarHBondContact O-N 3.07Å
750L91.2Very high89.8Confident88 Ų8894.7 Ų94.746%0.46145%0.452SS..Hα-helixtrans-65.2-38.1178.1-69.6169.1000112.1R746 L747 H752 L753 M754R746-L750 HydrophobicContact CG-CD1 4.35Å; R746-L750 WeakPolarHBondContact O-CG 3.33Å; R746-L750 PolarHBondContact O-N 3Å; L747-L750 PolarHBondContact O-N 2.88Å; L750-H752 VanDerWaalsContact C-N 3.33Å; L750-H752 PolarHBondContact O-N 2.85Å; L750-L753 PolarHBondContact O-N 2.73Å; L750-M754 WeakPolarHBondContact O-CB 3.44Å; L750-M754 PolarHBondContact O-N 2.87Å
751R92.4Very high90.1Very high147 Ų14792.4 Ų92.456%0.55545%0.445SS*.Hα-helixtrans-58.9-42.2170.4-80.1172.2171.1155-1.6112L747 D748 A755L747-R751 HydrophobicContact CD2-CG 4Å; L747-R751 VanDerWaalsContact CD2-NE 3.26Å; L747-R751 WeakPolarHBondContact O-CB 3.17Å; L747-R751 WeakPolarHBondContact O-CG 3.35Å; L747-R751 PolarHBondContact O-N 2.93Å; D748-R751 IonicContact OD1-CZ 3.5Å; D748-R751 IonicContact OD1-NH1 2.71Å; D748-R751 PolarHBondContact OD1-NH1 3.4Å; R751-A755 WeakPolarHBondContact O-CB 3.39Å; R751-A755 PolarHBondContact O-N 2.87Å
752H89Confident90.3Very high140 Ų14091.1 Ų91.165%0.64845%0.445SS*.Hα-helixtrans-63.7-48.6176.4-100.7-81.7000111.8D748 Q749 L750 A755 E756D748-H752 PolarHBondContact O-N 3.47Å; Q749-H752 WeakPolarHBondContact O-CB 3.37Å; Q749-H752 PolarHBondContact O-N 3.47Å; L750-H752 VanDerWaalsContact C-N 3.33Å; L750-H752 PolarHBondContact O-N 2.85Å; H752-A755 PolarHBondContact O-N 3.42Å; H752-E756 PolarHBondContact O-N 3.46Å; H752-E756 VanDerWaalsContact O-N 3.09Å
753L90.9Very high90.6Very high108 Ų10897.6 Ų97.657%0.56547%0.472SS*.Hα-helixtrans-61.9-48177.5-68.3171.1000111.6Q749 L750 A755 E756 E757Q749-L753 PolarHBondContact O-N 3.07Å; L750-L753 PolarHBondContact O-N 2.73Å; L753-A755 VanDerWaalsContact C-N 3.28Å; L753-A755 PolarHBondContact O-N 2.96Å; L753-E756 PolarHBondContact O-N 3.15Å; L753-E757 WeakPolarHBondContact O-CB 3.49Å; L753-E757 PolarHBondContact O-N 2.83Å
754M92.9Very high90.9Very high125 Ų12597.5 Ų97.562%0.61647%0.474SS*.Hα-helixtrans-55.9-41.6173.9-178.4-169-6900111.7L750 E756 E757 A758L750-M754 WeakPolarHBondContact O-CB 3.44Å; L750-M754 PolarHBondContact O-N 2.87Å; M754-E756 VanDerWaalsContact C-N 3.27Å; M754-E756 PolarHBondContact O-N 3.35Å; M754-E757 PolarHBondContact O-N 3.16Å; M754-A758 WeakPolarHBondContact O-CB 3.31Å; M754-A758 PolarHBondContact O-N 3.37Å
755A90.3Very high91Very high42 Ų4297.6 Ų97.635%0.34748%0.475SS..Hα-helixtrans-74.4-11.5177.900000114R751 H752 L753 K759R751-A755 WeakPolarHBondContact O-CB 3.39Å; R751-A755 PolarHBondContact O-N 2.87Å; H752-A755 PolarHBondContact O-N 3.42Å; L753-A755 VanDerWaalsContact C-N 3.28Å; L753-A755 PolarHBondContact O-N 2.96Å; A755-K759 WeakPolarHBondContact O-CD 3.27Å; A755-K759 WeakPolarHBondContact O-CE 3.31Å; A755-K759 WeakPolarHBondContact O-CG 3.22Å; A755-K759 PolarHBondContact O-NZ 2.91Å
756E89.5Confident91.2Very high111 Ų11199.2 Ų99.252%0.51948%0.482SS..Hα-helixtrans-95.4-39.2168.8-68.5-162.4154.600111.8H752 L753 M754 K759 R760H752-E756 PolarHBondContact O-N 3.46Å; H752-E756 VanDerWaalsContact O-N 3.09Å; L753-E756 PolarHBondContact O-N 3.15Å; M754-E756 VanDerWaalsContact C-N 3.27Å; M754-E756 PolarHBondContact O-N 3.35Å; E756-K759 CarbonylContact O-C 3.58Å; E756-K759 WeakPolarHBondContact O-CB 3.49Å; E756-K759 PolarHBondContact O-N 3.39Å; E756-R760 PolarHBondContact O-N 3.32Å
757E91.5Very high91.6Very high73 Ų7399.2 Ų99.234%0.34149%0.486SS..Hα-helixtrans-64.4-48.2175.8-160.958.1-105.900111.1L753 M754 K759 R760 A761L753-E757 WeakPolarHBondContact O-CB 3.49Å; L753-E757 PolarHBondContact O-N 2.83Å; M754-E757 PolarHBondContact O-N 3.16Å; E757-K759 PolarHBondContact O-N 3.07Å; E757-K759 VanDerWaalsContact O-N 3.15Å; E757-R760 CarbonylContact O-C 3.6Å; E757-R760 WeakPolarHBondContact O-CA 3.41Å; E757-R760 PolarHBondContact O-N 3.29Å; E757-R760 IonicContact OE1-CZ 3.28Å; E757-R760 IonicContact OE1-NH1 3.09Å; E757-R760 PolarHBondContact OE1-NH1 3.02Å; E757-R760 IonicContact OE1-NH2 3.15Å; E757-R760 IonicContact OE2-CZ 3.55Å; E757-R760 IonicContact OE2-NH1 2.77Å; E757-R760 PolarHBondContact OE2-NH1 2.86Å; E757-R760 IonicContact OE2-NH2 3.4Å; E757-R760 PolarHBondContact OE2-NH2 2.92Å; E757-A761 PolarHBondContact O-N 3.07Å
758A93Very high91.6Very high54 Ų5499.9 Ų99.945%0.44649%0.489SS..Hα-helixtrans-60.1-27.4173.600000112.7M754 A762M754-A758 WeakPolarHBondContact O-CB 3.31Å; M754-A758 PolarHBondContact O-N 3.37Å; A758-A762 WeakPolarHBondContact O-CB 3.25Å; A758-A762 PolarHBondContact O-N 2.9Å
759K92.3Very high91.7Very high129 Ų129106.2 Ų106.256%0.56151%0.508SS*.Hα-helixtrans-78.1-24.4172.3-71.9175.4-163.7123.40113.1A755 E756 E757 K763A755-K759 WeakPolarHBondContact O-CD 3.27Å; A755-K759 WeakPolarHBondContact O-CE 3.31Å; A755-K759 WeakPolarHBondContact O-CG 3.22Å; A755-K759 PolarHBondContact O-NZ 2.91Å; E756-K759 CarbonylContact O-C 3.58Å; E756-K759 WeakPolarHBondContact O-CB 3.49Å; E756-K759 PolarHBondContact O-N 3.39Å; E757-K759 PolarHBondContact O-N 3.07Å; E757-K759 VanDerWaalsContact O-N 3.15Å; K759-K763 WeakPolarHBondContact O-CD 3.41Å; K759-K763 WeakPolarHBondContact O-CG 3.34Å
760R91Very high91.8Very high106 Ų106108 Ų10840%0.452%0.52SS..Hα-helixtrans-79.4-49.2171.4-76.7-171.8-87.4108.62.7110.1E756 E757 K763 L764E756-R760 PolarHBondContact O-N 3.32Å; E757-R760 CarbonylContact O-C 3.6Å; E757-R760 WeakPolarHBondContact O-CA 3.41Å; E757-R760 PolarHBondContact O-N 3.29Å; E757-R760 IonicContact OE1-CZ 3.28Å; E757-R760 IonicContact OE1-NH1 3.09Å; E757-R760 PolarHBondContact OE1-NH1 3.02Å; E757-R760 IonicContact OE1-NH2 3.15Å; E757-R760 IonicContact OE2-CZ 3.55Å; E757-R760 IonicContact OE2-NH1 2.77Å; E757-R760 PolarHBondContact OE2-NH1 2.86Å; E757-R760 IonicContact OE2-NH2 3.4Å; E757-R760 PolarHBondContact OE2-NH2 2.92Å; R760-K763 WeakPolarHBondContact O-CB 3.43Å; R760-K763 PolarHBondContact O-N 3.02Å; R760-K763 VanDerWaalsContact O-N 3.1Å; R760-L764 WeakPolarHBondContact O-CG 3.34Å; R760-L764 PolarHBondContact O-N 2.99Å
761A93.6Very high91.6Very high35 Ų35109.4 Ų109.429%0.28953%0.527SS..Hα-helixtrans-52.3-56.3171.200000112.2E757 K763 L764 E765E757-A761 PolarHBondContact O-N 3.07Å; A761-K763 PolarHBondContact O-N 3.5Å; A761-L764 CarbonylContact O-C 3.49Å; A761-L764 WeakPolarHBondContact O-CA 3.47Å; A761-L764 WeakPolarHBondContact O-CB 3.43Å; A761-L764 PolarHBondContact O-N 2.88Å; A761-E765 WeakPolarHBondContact O-CG 3.38Å; A761-E765 PolarHBondContact O-N 3.12Å
762A93.8Very high91.6Very high33 Ų33106.8 Ų106.827%0.27352%0.523SS..Hα-helixtrans-66.6-9.4179.700000114.9A758 K766A758-A762 WeakPolarHBondContact O-CB 3.25Å; A758-A762 PolarHBondContact O-N 2.9Å; A762-K766 VanDerWaalsContact O-CD 3.23Å; A762-K766 WeakPolarHBondContact O-CD 3.46Å; A762-K766 WeakPolarHBondContact O-CG 3.3Å
763K93Very high91.6Very high146 Ų146101.1 Ų101.164%0.63550%0.503SS*.Hα-helixtrans-86.6-41.7166.5-79.5174.6-179.3-175.40111.4K759 R760 A761 K766 K767K759-K763 WeakPolarHBondContact O-CD 3.41Å; K759-K763 WeakPolarHBondContact O-CG 3.34Å; R760-K763 WeakPolarHBondContact O-CB 3.43Å; R760-K763 PolarHBondContact O-N 3.02Å; R760-K763 VanDerWaalsContact O-N 3.1Å; A761-K763 PolarHBondContact O-N 3.5Å; K763-K766 PolarHBondContact O-N 3.41Å; K763-K767 PolarHBondContact O-N 3.26Å; K763-K767 VanDerWaalsContact O-N 3.08Å
764L93.3Very high91.5Very high105 Ų10598 Ų9855%0.5550%0.497SS..Hα-helixtrans-64.6-48.8175.2-68.1170.7000110.9R760 A761 K766 K767 L768R760-L764 WeakPolarHBondContact O-CG 3.34Å; R760-L764 PolarHBondContact O-N 2.99Å; A761-L764 CarbonylContact O-C 3.49Å; A761-L764 WeakPolarHBondContact O-CA 3.47Å; A761-L764 WeakPolarHBondContact O-CB 3.43Å; A761-L764 PolarHBondContact O-N 2.88Å; L764-K766 VanDerWaalsContact C-N 3.27Å; L764-K766 PolarHBondContact O-N 3.15Å; L764-K767 WeakPolarHBondContact O-CB 3.47Å; L764-K767 PolarHBondContact O-N 3.2Å; L764-L768 WeakPolarHBondContact O-CB 3.49Å; L764-L768 WeakPolarHBondContact O-CG 3.46Å; L764-L768 PolarHBondContact O-N 3.48Å
765E92.9Very high91.5Very high119 Ų11999.7 Ų99.756%0.55650%0.498SS*.Hα-helixtrans-51.7-43.2172.2-71.5165.5-157.900112.3A761 L768 R769A761-E765 WeakPolarHBondContact O-CG 3.38Å; A761-E765 PolarHBondContact O-N 3.12Å; E765-L768 PolarHBondContact O-N 2.67Å; E765-R769 VanDerWaalsContact O-CB 3.24Å; E765-R769 WeakPolarHBondContact O-CB 3.08Å; E765-R769 PolarHBondContact O-N 3.36Å
766K93.1Very high91.7Very high138 Ų138103.5 Ų103.560%0.651%0.509SS*.Hα-helixtrans-67.2-39.5177.8-76.7174.4-171.2173.70112.5A762 K763 L764 I770A762-K766 VanDerWaalsContact O-CD 3.23Å; A762-K766 WeakPolarHBondContact O-CD 3.46Å; A762-K766 WeakPolarHBondContact O-CG 3.3Å; K763-K766 PolarHBondContact O-N 3.41Å; L764-K766 VanDerWaalsContact C-N 3.27Å; L764-K766 PolarHBondContact O-N 3.15Å; K766-I770 WeakPolarHBondContact O-CD1 3.39Å; K766-I770 VanDerWaalsContact O-CG1 3.28Å; K766-I770 WeakPolarHBondContact O-CG1 3.42Å; K766-I770 PolarHBondContact O-N 2.95Å
767K91.9Very high91.9Very high143 Ų143101.1 Ų101.162%0.62250%0.504SS*.Hα-helixtrans-63.4-50.4172.3-74.2-174.5171.3-166.50111K763 L764 R769 I770 L771K763-K767 PolarHBondContact O-N 3.26Å; K763-K767 VanDerWaalsContact O-N 3.08Å; L764-K767 WeakPolarHBondContact O-CB 3.47Å; L764-K767 PolarHBondContact O-N 3.2Å; K767-R769 VanDerWaalsContact C-N 3.34Å; K767-R769 PolarHBondContact O-N 2.96Å; K767-I770 PolarHBondContact O-N 2.99Å; K767-I770 VanDerWaalsContact O-N 3.09Å; K767-L771 WeakPolarHBondContact O-CG 3.49Å; K767-L771 PolarHBondContact O-N 3.17Å
768L91.6Very high92Very high95 Ų95105.7 Ų105.750%0.49752%0.518SS..Hα-helixtrans-60.1-40.9178.9-68.5172.1000111.7L764 E765 I770 L771 L772L764-L768 WeakPolarHBondContact O-CB 3.49Å; L764-L768 WeakPolarHBondContact O-CG 3.46Å; L764-L768 PolarHBondContact O-N 3.48Å; E765-L768 PolarHBondContact O-N 2.67Å; L768-I770 VanDerWaalsContact C-N 3.28Å; L768-I770 PolarHBondContact O-N 3.39Å; L768-L771 PolarHBondContact O-N 3.03Å; L768-L772 HydrophobicContact CB-CD1 4.46Å; L768-L772 HydrophobicContact CD2-CD1 3.93Å; L768-L772 HydrophobicContact CD2-CG 4.42Å; L768-L772 WeakPolarHBondContact O-CA 3.42Å; L768-L772 VanDerWaalsContact O-CB 3.25Å; L768-L772 WeakPolarHBondContact O-CB 3.46Å; L768-L772 PolarHBondContact O-N 2.95Å
769R91.9Very high92.1Very high199 Ų199105.2 Ų105.275%0.75151%0.514SS*.Hα-helixtrans-68.9-23.5176.7-158.5-173.2751765.8113.5E765 K767 G773E765-R769 VanDerWaalsContact O-CB 3.24Å; E765-R769 WeakPolarHBondContact O-CB 3.08Å; E765-R769 PolarHBondContact O-N 3.36Å; K767-R769 VanDerWaalsContact C-N 3.34Å; K767-R769 PolarHBondContact O-N 2.96Å; R769-G773 WeakPolarHBondContact O-CA 3.32Å; R769-G773 PolarHBondContact O-N 3.41Å
770I88.9Confident92.3Very high133 Ų133104.2 Ų104.268%0.68251%0.511SS*.Hα-helixtrans-78.4-48172.5-69.6165000110.2K766 K767 L768K766-I770 WeakPolarHBondContact O-CD1 3.39Å; K766-I770 VanDerWaalsContact O-CG1 3.28Å; K766-I770 WeakPolarHBondContact O-CG1 3.42Å; K766-I770 PolarHBondContact O-N 2.95Å; K767-I770 PolarHBondContact O-N 2.99Å; K767-I770 VanDerWaalsContact O-N 3.09Å; L768-I770 VanDerWaalsContact C-N 3.28Å; L768-I770 PolarHBondContact O-N 3.39Å
771L88.1Confident92.5Very high116 Ų116103.7 Ų103.761%0.60752%0.52SS*.Hα-helixtrans-73.8-55.6-177.2-63.9171.9000112.4K767 L768 Y775K767-L771 WeakPolarHBondContact O-CG 3.49Å; K767-L771 PolarHBondContact O-N 3.17Å; L768-L771 PolarHBondContact O-N 3.03Å; L771-Y775 WeakPolarHBondContact O-CD2 3.22Å
772L91.8Very high92.6Very high92 Ų92106.5 Ų106.548%0.48253%0.53SS..Hα-helixtrans-84-21.4-176.1-54.1-178.1000113.2L768 G774 Y775 Q776L768-L772 HydrophobicContact CB-CD1 4.46Å; L768-L772 HydrophobicContact CD2-CD1 3.93Å; L768-L772 HydrophobicContact CD2-CG 4.42Å; L768-L772 WeakPolarHBondContact O-CA 3.42Å; L768-L772 VanDerWaalsContact O-CB 3.25Å; L768-L772 WeakPolarHBondContact O-CB 3.46Å; L768-L772 PolarHBondContact O-N 2.95Å; L772-G774 VanDerWaalsContact C-N 3.29Å; L772-G774 PolarHBondContact O-N 2.95Å; L772-Y775 HydrophobicContact CD2-CD2 4.16Å; L772-Y775 CarbonylContact O-C 3.56Å; L772-Y775 PolarHBondContact O-N 3.08Å; L772-Q776 WeakPolarHBondContact O-CB 3.15Å; L772-Q776 PolarHBondContact O-N 3.4Å
773G89.2Confident92.8Very high22 Ų22109.8 Ų109.823%0.22754%0.541CS..Hα-helixtrans-61.4-35.5-177.300000113.5R769 S777R769-G773 WeakPolarHBondContact O-CA 3.32Å; R769-G773 PolarHBondContact O-N 3.41Å; G773-S777 PolarHBondContact O-N 3.2Å; G773-S777 VanDerWaalsContact O-N 3.16Å
774G88.8Confident92.9Very high43 Ų43108.9 Ų108.944%0.44354%0.537SS..Hα-helixtrans-69.7-39.7171.700000112.9L772 S777 R778L772-G774 VanDerWaalsContact C-N 3.29Å; L772-G774 PolarHBondContact O-N 2.95Å; G774-S777 PolarHBondContact O-OG 3.28Å; G774-R778 WeakPolarHBondContact O-CB 3.33Å; G774-R778 PolarHBondContact O-N 3.15Å
775Y92.3Very high93.1Very high159 Ų159105.9 Ų105.962%0.62453%0.528SS*.Hα-helixtrans-68.7-35175.6-58.7-35.5000112.3L771 L772 R778 A779L771-Y775 WeakPolarHBondContact O-CD2 3.22Å; L772-Y775 HydrophobicContact CD2-CD2 4.16Å; L772-Y775 CarbonylContact O-C 3.56Å; L772-Y775 PolarHBondContact O-N 3.08Å; Y775-R778 PolarHBondContact O-N 3.09Å; Y775-A779 VanDerWaalsContact O-CB 3.31Å; Y775-A779 WeakPolarHBondContact O-CB 3.48Å; Y775-A779 PolarHBondContact O-N 3.39Å
776Q93.9Very high93.3Very high123 Ų123105.4 Ų105.458%0.57553%0.528SS*.Hα-helixtrans-66.1-42.8175.7-170.6178.319.300111.5L772 A779 Q780L772-Q776 WeakPolarHBondContact O-CB 3.15Å; L772-Q776 PolarHBondContact O-N 3.4Å; Q776-A779 PolarHBondContact O-N 2.99Å; Q776-Q780 WeakPolarHBondContact O-CB 3.27Å; Q776-Q780 WeakPolarHBondContact O-CG 3.47Å; Q776-Q780 PolarHBondContact O-N 2.92Å
777S93.2Very high93.5Very high61 Ų61104.1 Ų104.143%0.42752%0.524SS..Hα-helixtrans-69.1-35.2175.368.90000112.3G773 G774 T781G773-S777 PolarHBondContact O-N 3.2Å; G773-S777 VanDerWaalsContact O-N 3.16Å; G774-S777 PolarHBondContact O-OG 3.28Å; S777-T781 WeakPolarHBondContact O-CB 3.49Å; S777-T781 PolarHBondContact O-N 3.36Å; S777-T781 PolarHBondContact O-OG1 3.49Å
778R94.1Very high93.7Very high169 Ų169102.9 Ų102.964%0.63852%0.52SS*.Hα-helixtrans-63.4-45.4170.7-176.2175.3177.1174.6-2.3111.4G774 Y775 T781 L782G774-R778 WeakPolarHBondContact O-CB 3.33Å; G774-R778 PolarHBondContact O-N 3.15Å; Y775-R778 PolarHBondContact O-N 3.09Å; R778-T781 PolarHBondContact O-N 3.37Å; R778-L782 HydrophobicContact CG-CD1 4.02Å; R778-L782 WeakPolarHBondContact O-CG 3.25Å; R778-L782 PolarHBondContact O-N 3.09Å
779A96Very high93.8Very high44 Ų44101.2 Ų101.236%0.36452%0.516SS..Hα-helixtrans-61.8-45.9176.600000111.6Y775 Q776 T781 L782 M783Y775-A779 VanDerWaalsContact O-CB 3.31Å; Y775-A779 WeakPolarHBondContact O-CB 3.48Å; Y775-A779 PolarHBondContact O-N 3.39Å; Q776-A779 PolarHBondContact O-N 2.99Å; A779-T781 VanDerWaalsContact C-N 3.28Å; A779-T781 PolarHBondContact O-N 2.94Å; A779-L782 PolarHBondContact O-N 3.43Å; A779-L782 VanDerWaalsContact O-N 3.15Å; A779-M783 WeakPolarHBondContact O-CG 3.28Å; A779-M783 PolarHBondContact O-N 2.85Å
780Q96Very high94.1Very high107 Ų10794.8 Ų94.850%0.550%0.499SS..Hα-helixtrans-59.6-37.3174.2-75.5174.5-19.300112.9Q776 M783 K784Q776-Q780 WeakPolarHBondContact O-CB 3.27Å; Q776-Q780 WeakPolarHBondContact O-CG 3.47Å; Q776-Q780 PolarHBondContact O-N 2.92Å; Q780-M783 HydrophobicContact CG-CE 4.1Å; Q780-K784 WeakPolarHBondContact O-CG 3.49Å; Q780-K784 PolarHBondContact O-N 2.99Å
781T95.7Very high94.5Very high96 Ų9692.6 Ų92.659%0.58949%0.489SS*.Hα-helixtrans-70-38.5175.7-51.60000111.5S777 R778 A779 A785S777-T781 WeakPolarHBondContact O-CB 3.49Å; S777-T781 PolarHBondContact O-N 3.36Å; S777-T781 PolarHBondContact O-OG1 3.49Å; R778-T781 PolarHBondContact O-N 3.37Å; A779-T781 VanDerWaalsContact C-N 3.28Å; A779-T781 PolarHBondContact O-N 2.94Å; T781-A785 WeakPolarHBondContact O-CB 3.18Å; T781-A785 PolarHBondContact O-N 2.89Å
782L96Very high94.9Very high94 Ų9492.6 Ų92.649%0.49249%0.486SS..Hα-helixtrans-71.5-41178-71.9169.9000112.5R778 A779 A785 I786R778-L782 HydrophobicContact CG-CD1 4.02Å; R778-L782 WeakPolarHBondContact O-CG 3.25Å; R778-L782 PolarHBondContact O-N 3.09Å; A779-L782 PolarHBondContact O-N 3.43Å; A779-L782 VanDerWaalsContact O-N 3.15Å; L782-A785 PolarHBondContact O-N 2.84Å; L782-I786 WeakPolarHBondContact O-CD1 3.25Å; L782-I786 VanDerWaalsContact O-CG1 3.28Å; L782-I786 WeakPolarHBondContact O-CG1 3.42Å; L782-I786 PolarHBondContact O-N 2.78Å
783M96.8Very high95.1Very high102 Ų10292.6 Ų92.650%0.50249%0.485SS..Hα-helixtrans-59.4-47.1174.7-70.2-176.9-58.200110.5A779 Q780 A785 I786 E787A779-M783 WeakPolarHBondContact O-CG 3.28Å; A779-M783 PolarHBondContact O-N 2.85Å; Q780-M783 HydrophobicContact CG-CE 4.1Å; M783-A785 PolarHBondContact O-N 2.93Å; M783-I786 WeakPolarHBondContact O-CB 3.39Å; M783-I786 PolarHBondContact O-N 3.18Å; M783-I786 VanDerWaalsContact O-N 3.1Å; M783-E787 WeakPolarHBondContact O-CG 3.49Å; M783-E787 PolarHBondContact O-N 3.41Å
784K96.4Very high95.5Very high126 Ų12697.3 Ų97.355%0.54850%0.502SS..Hα-helixtrans-61.5-40.8174.4-74.8-172.5168.6-121.50113.9Q780 I786 E787 E788Q780-K784 WeakPolarHBondContact O-CG 3.49Å; Q780-K784 PolarHBondContact O-N 2.99Å; K784-I786 PolarHBondContact O-N 3.3Å; K784-E787 WeakPolarHBondContact CA-OE2 3.21Å; K784-E787 PolarHBondContact O-N 2.86Å; K784-E788 WeakPolarHBondContact O-CB 3.49Å; K784-E788 VanDerWaalsContact O-CG 3.28Å; K784-E788 WeakPolarHBondContact O-CG 3.4Å; K784-E788 PolarHBondContact O-N 2.77Å
785A95.9Very high95.9Very high43 Ų43100.3 Ų100.336%0.35550%0.504SS..Hα-helixtrans-66.1-28175.700000112.6T781 L782 M783 S789T781-A785 WeakPolarHBondContact O-CB 3.18Å; T781-A785 PolarHBondContact O-N 2.89Å; L782-A785 PolarHBondContact O-N 2.84Å; M783-A785 PolarHBondContact O-N 2.93Å; A785-S789 VanDerWaalsContact O-CB 3.32Å; A785-S789 WeakPolarHBondContact O-CB 3.49Å; A785-S789 PolarHBondContact O-N 3.41Å; A785-S789 PolarHBondContact O-OG 2.89Å
786I97.2Very high96Very high109 Ų10996.3 Ų96.356%0.55950%0.499SS*.Hα-helixtrans-74.7-47.4172.6-68.5162.4000110.2L782 M783 K784 S789 V790L782-I786 WeakPolarHBondContact O-CD1 3.25Å; L782-I786 VanDerWaalsContact O-CG1 3.28Å; L782-I786 WeakPolarHBondContact O-CG1 3.42Å; L782-I786 PolarHBondContact O-N 2.78Å; M783-I786 WeakPolarHBondContact O-CB 3.39Å; M783-I786 PolarHBondContact O-N 3.18Å; M783-I786 VanDerWaalsContact O-N 3.1Å; K784-I786 PolarHBondContact O-N 3.3Å; I786-S789 WeakPolarHBondContact O-CB 3.44Å; I786-S789 PolarHBondContact O-N 2.59Å; I786-S789 VanDerWaalsContact O-N 3.09Å; I786-V790 HydrophobicContact CG2-CG2 4.46Å; I786-V790 WeakPolarHBondContact O-CG2 3.43Å; I786-V790 PolarHBondContact O-N 3.3Å
787E96.8Very high96.2Very high111 Ų11196 Ų9652%0.51950%0.498SS..Hα-helixtrans-52.9-55.7173.2-69.1161.5-179.700110.7M783 K784 S789 V790 D791M783-E787 WeakPolarHBondContact O-CG 3.49Å; M783-E787 PolarHBondContact O-N 3.41Å; K784-E787 WeakPolarHBondContact CA-OE2 3.21Å; K784-E787 PolarHBondContact O-N 2.86Å; E787-S789 PolarHBondContact O-N 3.14Å; E787-S789 VanDerWaalsContact O-N 3.14Å; E787-V790 PolarHBondContact O-N 3.11Å; E787-V790 VanDerWaalsContact O-N 3.08Å; E787-D791 PolarHBondContact O-N 3.06Å
788E96.2Very high96.3Very high116 Ų11699 Ų9954%0.54251%0.506SS..Hα-helixtrans-58.5-28.3177-71.7170.4-165.100113K784 Q792K784-E788 WeakPolarHBondContact O-CB 3.49Å; K784-E788 VanDerWaalsContact O-CG 3.28Å; K784-E788 WeakPolarHBondContact O-CG 3.4Å; K784-E788 PolarHBondContact O-N 2.77Å; E788-Q792 VanDerWaalsContact O-CG 3.31Å; E788-Q792 WeakPolarHBondContact O-CG 3.33Å; E788-Q792 PolarHBondContact O-N 3.5Å; E788-Q792 PolarHBondContact O-NE2 2.92Å
789S95.6Very high96.5Very high60 Ų6095.3 Ų95.342%0.4250%0.496SS..Hα-helixtrans-81.1-35.4176.3-61.90000112.6A785 I786 E787 Q792 I793A785-S789 VanDerWaalsContact O-CB 3.32Å; A785-S789 WeakPolarHBondContact O-CB 3.49Å; A785-S789 PolarHBondContact O-N 3.41Å; A785-S789 PolarHBondContact O-OG 2.89Å; I786-S789 WeakPolarHBondContact O-CB 3.44Å; I786-S789 PolarHBondContact O-N 2.59Å; I786-S789 VanDerWaalsContact O-N 3.09Å; E787-S789 PolarHBondContact O-N 3.14Å; E787-S789 VanDerWaalsContact O-N 3.14Å; S789-Q792 PolarHBondContact O-N 3.43Å; S789-I793 WeakPolarHBondContact O-CD1 3.22Å; S789-I793 VanDerWaalsContact O-CG1 3.26Å; S789-I793 WeakPolarHBondContact O-CG1 3.35Å; S789-I793 PolarHBondContact O-N 3.35Å
790V97.7Very high96.5Very high64 Ų6497.8 Ų97.839%0.38850%0.503SS..Hα-helixtrans-66.4-46.8174.7171.40000109.8I786 E787 Q792 I793 E794I786-V790 HydrophobicContact CG2-CG2 4.46Å; I786-V790 WeakPolarHBondContact O-CG2 3.43Å; I786-V790 PolarHBondContact O-N 3.3Å; E787-V790 PolarHBondContact O-N 3.11Å; E787-V790 VanDerWaalsContact O-N 3.08Å; V790-Q792 PolarHBondContact O-N 3.35Å; V790-I793 PolarHBondContact O-N 3.16Å; V790-E794 HydrophobicContact CG1-CG 4.48Å; V790-E794 PolarHBondContact O-N 3.41Å
791D96.9Very high96.5Very high88 Ų8896.9 Ų96.947%0.47151%0.505SS..Hα-helixtrans-53.8-41.2174.5-72.7-3.4000112E787 Q795E787-D791 PolarHBondContact O-N 3.06Å; D791-Q795 WeakPolarHBondContact O-CB 3.48Å; D791-Q795 VanDerWaalsContact O-CG 3.24Å; D791-Q795 WeakPolarHBondContact O-CG 3.1Å; D791-Q795 PolarHBondContact O-N 2.96Å; D791-Q795 PolarHBondContact O-NE2 2.88Å; D791-Q795 VanDerWaalsContact O-NE2 3.09Å
792Q96.4Very high96.6Very high116 Ų11695.9 Ų95.954%0.54250%0.499SS..Hα-helixtrans-70.7-35177.1-78.9169.970.800112.8E788 S789 V790 S796E788-Q792 VanDerWaalsContact O-CG 3.31Å; E788-Q792 WeakPolarHBondContact O-CG 3.33Å; E788-Q792 PolarHBondContact O-N 3.5Å; E788-Q792 PolarHBondContact O-NE2 2.92Å; S789-Q792 PolarHBondContact O-N 3.43Å; V790-Q792 PolarHBondContact O-N 3.35Å; Q792-S796 VanDerWaalsContact O-CB 3.28Å; Q792-S796 WeakPolarHBondContact O-CB 3.44Å; Q792-S796 PolarHBondContact O-N 2.7Å; Q792-S796 PolarHBondContact O-OG 2.89Å
793I96.8Very high96.7Very high91 Ų9197.7 Ų97.747%0.46750%0.5SS..Hα-helixtrans-68.2-44.8175.1-72163.2000110.2S789 V790 S796 Q797S789-I793 WeakPolarHBondContact O-CD1 3.22Å; S789-I793 VanDerWaalsContact O-CG1 3.26Å; S789-I793 WeakPolarHBondContact O-CG1 3.35Å; S789-I793 PolarHBondContact O-N 3.35Å; V790-I793 PolarHBondContact O-N 3.16Å; I793-S796 PolarHBondContact O-N 3.31Å; I793-Q797 HydrophobicContact CG2-CG 4.42Å; I793-Q797 WeakPolarHBondContact O-CB 3.41Å; I793-Q797 VanDerWaalsContact O-CG 3.32Å; I793-Q797 WeakPolarHBondContact O-CG 3.25Å; I793-Q797 PolarHBondContact O-N 2.97Å
794E96.8Very high96.7Very high122 Ų12298 Ų9857%0.5750%0.5SS*.Hα-helixtrans-63-43.9176.8-69.4-171.9-178.100111.7V790 S796 Q797 M798V790-E794 HydrophobicContact CG1-CG 4.48Å; V790-E794 PolarHBondContact O-N 3.41Å; E794-S796 PolarHBondContact O-N 3.02Å; E794-Q797 PolarHBondContact O-N 2.87Å; E794-M798 WeakPolarHBondContact O-CB 3.44Å; E794-M798 PolarHBondContact O-N 2.87Å
795Q96.4Very high96.7Very high106 Ų10699.1 Ų99.150%0.49550%0.501SS..Hα-helixtrans-60.2-43.7173.1-75166.357.100111.9D791 M798 E799D791-Q795 WeakPolarHBondContact O-CB 3.48Å; D791-Q795 VanDerWaalsContact O-CG 3.24Å; D791-Q795 WeakPolarHBondContact O-CG 3.1Å; D791-Q795 PolarHBondContact O-N 2.96Å; D791-Q795 PolarHBondContact O-NE2 2.88Å; D791-Q795 VanDerWaalsContact O-NE2 3.09Å; Q795-M798 PolarHBondContact O-N 3.11Å; Q795-E799 WeakPolarHBondContact O-CB 3.44Å; Q795-E799 PolarHBondContact O-N 3.01Å
796S95.7Very high96.7Very high75 Ų75101.4 Ų101.452%0.52451%0.507SS..Hα-helixtrans-67.2-35.5178.7-58.80000112.9Q792 I793 E794 L800Q792-S796 VanDerWaalsContact O-CB 3.28Å; Q792-S796 WeakPolarHBondContact O-CB 3.44Å; Q792-S796 PolarHBondContact O-N 2.7Å; Q792-S796 PolarHBondContact O-OG 2.89Å; I793-S796 PolarHBondContact O-N 3.31Å; E794-S796 PolarHBondContact O-N 3.02Å; S796-L800 WeakPolarHBondContact O-CB 3.48Å; S796-L800 PolarHBondContact O-N 3.49Å
797Q97.3Very high96.7Very high116 Ų116101.8 Ų101.854%0.54251%0.506SS..Hα-helixtrans-69.7-43.4174.8-74.6176.97.400111.3I793 E794 L800 T801I793-Q797 HydrophobicContact CG2-CG 4.42Å; I793-Q797 WeakPolarHBondContact O-CB 3.41Å; I793-Q797 VanDerWaalsContact O-CG 3.32Å; I793-Q797 WeakPolarHBondContact O-CG 3.25Å; I793-Q797 PolarHBondContact O-N 2.97Å; E794-Q797 PolarHBondContact O-N 2.87Å; Q797-L800 PolarHBondContact O-N 3.04Å; Q797-T801 PolarHBondContact O-N 3.36Å; Q797-T801 PolarHBondContact O-OG1 3.28Å
798M96.4Very high96.6Very high123 Ų123101.2 Ų101.261%0.60650%0.503SS*.Hα-helixtrans-59.7-47.4173178.5177.569.600111.1E794 Q795 T801 T802E794-M798 WeakPolarHBondContact O-CB 3.44Å; E794-M798 PolarHBondContact O-N 2.87Å; Q795-M798 PolarHBondContact O-N 3.11Å; M798-T801 PolarHBondContact O-N 3.44Å; M798-T802 WeakPolarHBondContact O-CG2 3.45Å; M798-T802 PolarHBondContact O-N 3.08Å; M798-T802 PolarHBondContact O-OG1 3.03Å
799E96.6Very high96.6Very high92 Ų92100.8 Ų100.843%0.4350%0.501SS..Hα-helixtrans-57-51.1174.6-85.3-162.6-140.100111.3Q795 T801 T802 Y803Q795-E799 WeakPolarHBondContact O-CB 3.44Å; Q795-E799 PolarHBondContact O-N 3.01Å; E799-T801 PolarHBondContact O-N 3.09Å; E799-T802 WeakPolarHBondContact CA-OG1 3.5Å; E799-T802 PolarHBondContact O-N 2.59Å; E799-T802 VanDerWaalsContact O-N 3.1Å; E799-T802 PolarHBondContact O-OG1 3.36Å; E799-Y803 HydrophobicContact CB-CD2 4.24Å; E799-Y803 HydrophobicContact CB-CE2 3.74Å; E799-Y803 HydrophobicContact CG-CE2 4.21Å; E799-Y803 WeakPolarHBondContact O-CD2 3.37Å; E799-Y803 PolarHBondContact O-N 3Å; E799-Y803 VanDerWaalsContact OE2-CE2 3.26Å; E799-Y803 WeakPolarHBondContact OE2-CE2 3.46Å; E799-Y803 PolarHBondContact OE2-OH 3.31Å
800L96.9Very high96.6Very high96 Ų96102.1 Ų102.150%0.50350%0.501SS..Hα-helixtrans-52.5-53.8176.6176.462.6000111.9S796 Q797 T802 Y803 E804S796-L800 WeakPolarHBondContact O-CB 3.48Å; S796-L800 PolarHBondContact O-N 3.49Å; Q797-L800 PolarHBondContact O-N 3.04Å; L800-T802 VanDerWaalsContact C-N 3.29Å; L800-T802 PolarHBondContact O-N 3.15Å; L800-Y803 PolarHBondContact O-N 3.45Å; L800-Y803 VanDerWaalsContact O-N 3.12Å; L800-E804 HydrophobicContact CD1-CG 4.18Å; L800-E804 HydrophobicContact CG-CG 4.49Å; L800-E804 WeakPolarHBondContact O-CG 3.12Å; L800-E804 PolarHBondContact O-N 3.37Å
801T97.1Very high96.5Very high88 Ų88103.6 Ų103.654%0.5451%0.506SS..Hα-helixtrans-62.1-35.1179.1-59.40000112.4Q797 M798 E799 R805Q797-T801 PolarHBondContact O-N 3.36Å; Q797-T801 PolarHBondContact O-OG1 3.28Å; M798-T801 PolarHBondContact O-N 3.44Å; E799-T801 PolarHBondContact O-N 3.09Å; T801-R805 WeakPolarHBondContact O-CB 3.44Å; T801-R805 PolarHBondContact O-N 3.04Å; T801-R805 VanDerWaalsContact O-N 3.1Å
802T97Very high96.4Very high75 Ų75102.5 Ų102.546%0.4651%0.505SS..Hα-helixtrans-69.9-37.8173.760.80000112.7M798 E799 L800 R805 L806M798-T802 WeakPolarHBondContact O-CG2 3.45Å; M798-T802 PolarHBondContact O-N 3.08Å; M798-T802 PolarHBondContact O-OG1 3.03Å; E799-T802 WeakPolarHBondContact CA-OG1 3.5Å; E799-T802 PolarHBondContact O-N 2.59Å; E799-T802 VanDerWaalsContact O-N 3.1Å; E799-T802 PolarHBondContact O-OG1 3.36Å; L800-T802 VanDerWaalsContact C-N 3.29Å; L800-T802 PolarHBondContact O-N 3.15Å; T802-R805 PolarHBondContact O-N 2.93Å; T802-L806 WeakPolarHBondContact O-CB 3.33Å; T802-L806 PolarHBondContact O-N 3.42Å
803Y97.5Very high96.4Very high133 Ų13398 Ų9852%0.52249%0.487SS..Hα-helixtrans-72.4-37.6177.4-63.9-46.9000112.3E799 L800 L806 H807E799-Y803 HydrophobicContact CB-CD2 4.24Å; E799-Y803 HydrophobicContact CB-CE2 3.74Å; E799-Y803 HydrophobicContact CG-CE2 4.21Å; E799-Y803 WeakPolarHBondContact O-CD2 3.37Å; E799-Y803 PolarHBondContact O-N 3Å; E799-Y803 VanDerWaalsContact OE2-CE2 3.26Å; E799-Y803 WeakPolarHBondContact OE2-CE2 3.46Å; E799-Y803 PolarHBondContact OE2-OH 3.31Å; L800-Y803 PolarHBondContact O-N 3.45Å; L800-Y803 VanDerWaalsContact O-N 3.12Å; Y803-L806 PolarHBondContact O-N 3.17Å; Y803-H807 WeakPolarHBondContact O-CB 3.4Å; Y803-H807 PolarHBondContact O-N 2.87Å
804E96.7Very high96.3Very high108 Ų10897.7 Ų97.751%0.50549%0.486SS..Hα-helixtrans-57-51169.8-72.8172.5157.200110.4L800 L806 H807 E808L800-E804 HydrophobicContact CD1-CG 4.18Å; L800-E804 HydrophobicContact CG-CG 4.49Å; L800-E804 WeakPolarHBondContact O-CG 3.12Å; L800-E804 PolarHBondContact O-N 3.37Å; E804-L806 VanDerWaalsContact C-N 3.33Å; E804-L806 PolarHBondContact O-N 3.19Å; E804-H807 WeakPolarHBondContact O-CB 3.47Å; E804-H807 PolarHBondContact O-N 3Å; E804-E808 PolarHBondContact O-N 3.37Å
805R96.2Very high96.2Very high149 Ų14994.1 Ų94.156%0.56248%0.477SS*.Hα-helixtrans-70.7-26.5-179.1-169.550.9170.6-178.2-2.1113.7T801 T802 E808 Q809T801-R805 WeakPolarHBondContact O-CB 3.44Å; T801-R805 PolarHBondContact O-N 3.04Å; T801-R805 VanDerWaalsContact O-N 3.1Å; T802-R805 PolarHBondContact O-N 2.93Å; R805-E808 WeakPolarHBondContact CD-OE2 3.36Å; R805-E808 IonicContact CZ-OE2 2.67Å; R805-E808 IonicContact NE-OE2 3.82Å; R805-E808 IonicContact NH1-OE1 2.73Å; R805-E808 IonicContact NH1-OE2 2.82Å; R805-E808 PolarHBondContact NH1-OE2 3.08Å; R805-Q809 WeakPolarHBondContact O-CG 3.36Å; R805-Q809 PolarHBondContact O-N 3.27Å; R805-Q809 PolarHBondContact O-NE2 3.1Å; R805-Q809 VanDerWaalsContact O-NE2 3.08Å
806L96.4Very high96.1Very high92 Ų9296.1 Ų96.148%0.48248%0.48SS..Hα-helixtrans-75.7-36.9171.8-17664.2000111.2T802 Y803 E804 Q809 E810T802-L806 WeakPolarHBondContact O-CB 3.33Å; T802-L806 PolarHBondContact O-N 3.42Å; Y803-L806 PolarHBondContact O-N 3.17Å; E804-L806 VanDerWaalsContact C-N 3.33Å; E804-L806 PolarHBondContact O-N 3.19Å; L806-Q809 PolarHBondContact O-N 3.19Å; L806-E810 PolarHBondContact O-N 3.4Å
807H96.7Very high96.1Very high117 Ų11798.6 Ų98.654%0.54248%0.478SS..Hα-helixtrans-63.7-45.6176-179.559.8000111.4Y803 E804 Q809 E810 L811Y803-H807 WeakPolarHBondContact O-CB 3.4Å; Y803-H807 PolarHBondContact O-N 2.87Å; E804-H807 WeakPolarHBondContact O-CB 3.47Å; E804-H807 PolarHBondContact O-N 3Å; H807-Q809 VanDerWaalsContact C-N 3.29Å; H807-Q809 PolarHBondContact O-N 3.28Å; H807-E810 PolarHBondContact O-N 3.35Å; H807-L811 WeakPolarHBondContact O-CG 3.42Å; H807-L811 PolarHBondContact O-N 2.87Å
808E95.7Very high96Very high98 Ų9896.2 Ų96.246%0.45847%0.474SS..Hα-helixtrans-55.8-42.6171.2-69.5-177.9133.100112.5E804 R805 C812E804-E808 PolarHBondContact O-N 3.37Å; R805-E808 WeakPolarHBondContact CD-OE2 3.36Å; R805-E808 IonicContact CZ-OE2 2.67Å; R805-E808 IonicContact NE-OE2 3.82Å; R805-E808 IonicContact NH1-OE1 2.73Å; R805-E808 IonicContact NH1-OE2 2.82Å; R805-E808 PolarHBondContact NH1-OE2 3.08Å; E808-C812 PolarHBondContact O-N 3.16Å; E808-C812 VanDerWaalsContact O-N 3.11Å; E808-C812 PolarHBondContact O-SG 2.73Å
809Q96.1Very high95.9Very high107 Ų10794.6 Ų94.650%0.547%0.468SS..Hα-helixtrans-67.9-42.6178.7-76.5175.261.900112.6R805 L806 H807 C812 A813R805-Q809 WeakPolarHBondContact O-CG 3.36Å; R805-Q809 PolarHBondContact O-N 3.27Å; R805-Q809 PolarHBondContact O-NE2 3.1Å; R805-Q809 VanDerWaalsContact O-NE2 3.08Å; L806-Q809 PolarHBondContact O-N 3.19Å; H807-Q809 VanDerWaalsContact C-N 3.29Å; H807-Q809 PolarHBondContact O-N 3.28Å; Q809-C812 PolarHBondContact O-N 2.93Å; Q809-A813 WeakPolarHBondContact O-CB 3.44Å; Q809-A813 PolarHBondContact O-N 3.42Å
810E95.7Very high95.9Very high88 Ų8894.3 Ų94.341%0.41147%0.472SS..Hα-helixtrans-67.3-40.7175.9-87.6-60.1139.600111.9L806 H807 C812 A813 I814 R817L806-E810 PolarHBondContact O-N 3.4Å; H807-E810 PolarHBondContact O-N 3.35Å; E810-C812 VanDerWaalsContact C-N 3.31Å; E810-C812 PolarHBondContact O-N 3.29Å; E810-A813 CarbonylContact O-C 3.57Å; E810-A813 WeakPolarHBondContact O-CA 3.45Å; E810-A813 PolarHBondContact O-N 3.22Å; E810-I814 WeakPolarHBondContact O-CB 3.46Å; E810-I814 VanDerWaalsContact O-CG1 3.24Å; E810-I814 WeakPolarHBondContact O-CG1 3.37Å; E810-I814 PolarHBondContact O-N 2.9Å; E810-R817 IonicContact OE2-CZ 3.13Å; E810-R817 IonicContact OE2-NH2 3.63Å; E810-R817 PolarHBondContact OE2-NH2 3.21Å
811L95.8Very high95.8Very high95 Ų9595.3 Ų95.350%0.49748%0.477SS..Hα-helixtrans-56.3-46.4172.1-72.7175.4000111.2H807 A813 I814 A815H807-L811 WeakPolarHBondContact O-CG 3.42Å; H807-L811 PolarHBondContact O-N 2.87Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.44Å; L811-I814 PolarHBondContact O-N 3.32Å; L811-A815 PolarHBondContact O-N 3.06Å; L811-A815 VanDerWaalsContact O-N 3.07Å
812C94.5Very high95.8Very high65 Ų6597.4 Ų97.444%0.43948%0.481SS..Hα-helixtrans-66.5-30.2175.2-66.70000113.2E808 Q809 E810 R816E808-C812 PolarHBondContact O-N 3.16Å; E808-C812 VanDerWaalsContact O-N 3.11Å; E808-C812 PolarHBondContact O-SG 2.73Å; Q809-C812 PolarHBondContact O-N 2.93Å; E810-C812 VanDerWaalsContact C-N 3.31Å; E810-C812 PolarHBondContact O-N 3.29Å; C812-R816 WeakPolarHBondContact O-CG 3.36Å; C812-R816 VanDerWaalsContact O-CZ 3.25Å; C812-R816 PolarHBondContact O-N 3.39Å; C812-R816 PolarHBondContact O-NE 3.12Å
813A95.3Very high95.7Very high21 Ų2196.9 Ų96.917%0.17448%0.48CS..Hα-helixtrans-79.7-30.2176.900000112.7Q809 E810 L811 R817Q809-A813 WeakPolarHBondContact O-CB 3.44Å; Q809-A813 PolarHBondContact O-N 3.42Å; E810-A813 CarbonylContact O-C 3.57Å; E810-A813 WeakPolarHBondContact O-CA 3.45Å; E810-A813 PolarHBondContact O-N 3.22Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.44Å; A813-R817 WeakPolarHBondContact O-CB 3.18Å; A813-R817 VanDerWaalsContact O-CG 3.25Å; A813-R817 WeakPolarHBondContact O-CG 3.43Å; A813-R817 PolarHBondContact O-N 2.99Å; A813-R817 VanDerWaalsContact O-N 3.13Å; A813-R817 PolarHBondContact O-NE 3.04Å
814I94.5Very high95.6Very high86 Ų8694.1 Ų94.144%0.44147%0.474SS..Hα-helixtrans-65.1-52.6170.8-69.6164.4000108.8E810 L811 R816 R817 S818E810-I814 WeakPolarHBondContact O-CB 3.46Å; E810-I814 VanDerWaalsContact O-CG1 3.24Å; E810-I814 WeakPolarHBondContact O-CG1 3.37Å; E810-I814 PolarHBondContact O-N 2.9Å; L811-I814 PolarHBondContact O-N 3.32Å; I814-R816 PolarHBondContact O-N 3.46Å; I814-R817 WeakPolarHBondContact O-CB 3.45Å; I814-R817 PolarHBondContact O-N 3.45Å; I814-R817 VanDerWaalsContact O-N 3.09Å; I814-S818 PolarHBondContact O-N 3.18Å; I814-S818 PolarHBondContact O-OG 3.45Å
815A95Very high95.5Very high46 Ų4692.3 Ų92.338%0.3847%0.471SS..Hα-helixtrans-52.4-56.9177.500000111.8L811 R817 S818 D819L811-A815 PolarHBondContact O-N 3.06Å; L811-A815 VanDerWaalsContact O-N 3.07Å; A815-R817 PolarHBondContact O-N 2.97Å; A815-R817 VanDerWaalsContact O-N 3.15Å; A815-S818 WeakPolarHBondContact O-CA 3.44Å; A815-S818 WeakPolarHBondContact O-CB 3.36Å; A815-S818 PolarHBondContact O-N 3.42Å; A815-D819 PolarHBondContact O-N 3.47Å
816R95Very high95.5Very high149 Ų14991.3 Ų91.356%0.56247%0.473SS*.Hα-helixtrans-58.9-30.4178.2-70.7-176.5-61.8-104.4-2.2114.3C812 I814 V820C812-R816 WeakPolarHBondContact O-CG 3.36Å; C812-R816 VanDerWaalsContact O-CZ 3.25Å; C812-R816 PolarHBondContact O-N 3.39Å; C812-R816 PolarHBondContact O-NE 3.12Å; I814-R816 PolarHBondContact O-N 3.46Å; R816-V820 WeakPolarHBondContact O-CB 3.36Å; R816-V820 VanDerWaalsContact O-CG2 3.25Å; R816-V820 WeakPolarHBondContact O-CG2 3.12Å; R816-V820 PolarHBondContact O-N 3.22Å
817R96.4Very high95.4Very high127 Ų12794.8 Ų94.848%0.47948%0.479SS..Hα-helixtrans-70.9-43.6174.5-82.6176.2-71.4-167.9-6.4110.8E810 A813 I814 A815 L821E810-R817 IonicContact OE2-CZ 3.13Å; E810-R817 IonicContact OE2-NH2 3.63Å; E810-R817 PolarHBondContact OE2-NH2 3.21Å; A813-R817 WeakPolarHBondContact O-CB 3.18Å; A813-R817 VanDerWaalsContact O-CG 3.25Å; A813-R817 WeakPolarHBondContact O-CG 3.43Å; A813-R817 PolarHBondContact O-N 2.99Å; A813-R817 VanDerWaalsContact O-N 3.13Å; A813-R817 PolarHBondContact O-NE 3.04Å; I814-R817 WeakPolarHBondContact O-CB 3.45Å; I814-R817 PolarHBondContact O-N 3.45Å; I814-R817 VanDerWaalsContact O-N 3.09Å; A815-R817 PolarHBondContact O-N 2.97Å; A815-R817 VanDerWaalsContact O-N 3.15Å; R817-L821 WeakPolarHBondContact O-CB 3.5Å; R817-L821 VanDerWaalsContact O-CG 3.25Å; R817-L821 WeakPolarHBondContact O-CG 3.5Å; R817-L821 PolarHBondContact O-N 2.88Å
818S94.5Very high95.3Very high66 Ų6695.5 Ų95.546%0.46248%0.483SS..Hα-helixtrans-60.7-51.2175-61.10000111.6I814 A815 V820 L821 E822I814-S818 PolarHBondContact O-N 3.18Å; I814-S818 PolarHBondContact O-OG 3.45Å; A815-S818 WeakPolarHBondContact O-CA 3.44Å; A815-S818 WeakPolarHBondContact O-CB 3.36Å; A815-S818 PolarHBondContact O-N 3.42Å; S818-V820 VanDerWaalsContact C-N 3.27Å; S818-V820 PolarHBondContact O-N 3.26Å; S818-L821 PolarHBondContact O-N 2.85Å; S818-L821 VanDerWaalsContact O-N 3.13Å; S818-E822 WeakPolarHBondContact O-CB 3.45Å; S818-E822 PolarHBondContact O-N 2.98Å
819D95.2Very high95.3Very high88 Ų8897 Ų9747%0.47149%0.49SS..Hα-helixtrans-56.6-41-178.1-53-23.9000112.2A815 S823A815-D819 PolarHBondContact O-N 3.47Å; D819-S823 VanDerWaalsContact O-CB 3.31Å; D819-S823 WeakPolarHBondContact O-CB 3.43Å; D819-S823 PolarHBondContact O-N 3.44Å; D819-S823 PolarHBondContact O-OG 2.92Å
820V96.2Very high95.3Very high87 Ų8798.9 Ų98.953%0.52750%0.496SS..Hα-helixtrans-70.9-44178.2169.10000111.5R816 S818 S823 D824R816-V820 WeakPolarHBondContact O-CB 3.36Å; R816-V820 VanDerWaalsContact O-CG2 3.25Å; R816-V820 WeakPolarHBondContact O-CG2 3.12Å; R816-V820 PolarHBondContact O-N 3.22Å; S818-V820 VanDerWaalsContact C-N 3.27Å; S818-V820 PolarHBondContact O-N 3.26Å; V820-S823 PolarHBondContact O-N 2.93Å; V820-D824 PolarHBondContact O-N 2.96Å
821L95Very high95.3Very high116 Ų116103 Ų10361%0.60751%0.508SS*.Hα-helixtrans-65.2-40.7177.5-73.6169.8000111.7R817 S818 D824 V825R817-L821 WeakPolarHBondContact O-CB 3.5Å; R817-L821 VanDerWaalsContact O-CG 3.25Å; R817-L821 WeakPolarHBondContact O-CG 3.5Å; R817-L821 PolarHBondContact O-N 2.88Å; S818-L821 PolarHBondContact O-N 2.85Å; S818-L821 VanDerWaalsContact O-N 3.13Å; L821-D824 PolarHBondContact O-N 3.47Å; L821-V825 WeakPolarHBondContact O-CB 3.48Å; L821-V825 VanDerWaalsContact O-CG2 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.41Å; L821-V825 PolarHBondContact O-N 3.24Å
822E95.9Very high95.2Very high133 Ų133102.6 Ų102.662%0.62151%0.507SS*.Hα-helixtrans-62.8-47.2174.9-173.3163.4-14300110.9S818 D824 V825 E826S818-E822 WeakPolarHBondContact O-CB 3.45Å; S818-E822 PolarHBondContact O-N 2.98Å; E822-D824 VanDerWaalsContact C-N 3.32Å; E822-D824 PolarHBondContact O-N 3.28Å; E822-V825 PolarHBondContact O-N 2.93Å; E822-V825 VanDerWaalsContact O-N 3.16Å; E822-E826 PolarHBondContact O-N 3.02Å
823S95.5Very high95.3Very high64 Ų64101.7 Ų101.745%0.44850%0.503SS..Hα-helixtrans-58.3-38.4175.6-62.50000113.7D819 V820 R827D819-S823 VanDerWaalsContact O-CB 3.31Å; D819-S823 WeakPolarHBondContact O-CB 3.43Å; D819-S823 PolarHBondContact O-N 3.44Å; D819-S823 PolarHBondContact O-OG 2.92Å; V820-S823 PolarHBondContact O-N 2.93Å; S823-R827 WeakPolarHBondContact O-CB 3.5Å; S823-R827 PolarHBondContact O-N 3.49Å
824D95.3Very high95.3Very high74 Ų74103.6 Ų103.640%0.39651%0.511SS..Hα-helixtrans-78.6-31.6176.5-92-15.4000112.7V820 L821 E822 R827 Q828V820-D824 PolarHBondContact O-N 2.96Å; L821-D824 PolarHBondContact O-N 3.47Å; E822-D824 VanDerWaalsContact C-N 3.32Å; E822-D824 PolarHBondContact O-N 3.28Å; D824-R827 PolarHBondContact O-N 3.38Å; D824-R827 IonicContact OD1-NE 2.88Å; D824-Q828 WeakPolarHBondContact O-CB 3.32Å; D824-Q828 VanDerWaalsContact O-CG 3.31Å; D824-Q828 WeakPolarHBondContact O-CG 3.38Å; D824-Q828 PolarHBondContact O-N 3.37Å
825V95.8Very high95.2Very high70 Ų70105.1 Ų105.142%0.42452%0.519SS..Hα-helixtrans-66.3-45.5171.6165.80000110.7L821 E822 R827 Q828 Q829L821-V825 WeakPolarHBondContact O-CB 3.48Å; L821-V825 VanDerWaalsContact O-CG2 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.41Å; L821-V825 PolarHBondContact O-N 3.24Å; E822-V825 PolarHBondContact O-N 2.93Å; E822-V825 VanDerWaalsContact O-N 3.16Å; V825-R827 VanDerWaalsContact C-N 3.3Å; V825-R827 PolarHBondContact O-N 3.4Å; V825-Q828 PolarHBondContact O-N 2.82Å; V825-Q829 HydrophobicContact CG1-CG 4.24Å; V825-Q829 WeakPolarHBondContact O-CB 3.29Å; V825-Q829 WeakPolarHBondContact O-CG 3.19Å; V825-Q829 PolarHBondContact O-N 3.3Å
826E95.6Very high95.2Very high129 Ų129108.9 Ų108.960%0.60353%0.529SS*.Hα-helixtrans-56-45.4172.1-76-158.5143.400111.5E822 Q828 Q829 K830E822-E826 PolarHBondContact O-N 3.02Å; E826-Q828 VanDerWaalsContact C-N 3.31Å; E826-Q828 PolarHBondContact O-N 3.11Å; E826-Q829 PolarHBondContact O-N 3.22Å; E826-K830 VanDerWaalsContact O-CB 3.32Å; E826-K830 WeakPolarHBondContact O-CB 3.35Å; E826-K830 PolarHBondContact O-N 3.37Å
827R94.8Very high95.1Very high165 Ų165109 Ų10962%0.62353%0.529SS*.Hα-helixtrans-61.2-39.3178.5-171.5-175.4-59.5-128-2.6112S823 D824 V825 R831S823-R827 WeakPolarHBondContact O-CB 3.5Å; S823-R827 PolarHBondContact O-N 3.49Å; D824-R827 PolarHBondContact O-N 3.38Å; D824-R827 IonicContact OD1-NE 2.88Å; V825-R827 VanDerWaalsContact C-N 3.3Å; V825-R827 PolarHBondContact O-N 3.4Å; R827-R831 WeakPolarHBondContact O-CB 3.16Å; R827-R831 PolarHBondContact O-N 3.34Å
828Q94.4Very high94.9Very high132 Ų132107.1 Ų107.162%0.61753%0.526SS*.Hα-helixtrans-71.3-45.2175-73.4-179.355.900112.2D824 V825 E826 K830 R831 N832D824-Q828 WeakPolarHBondContact O-CB 3.32Å; D824-Q828 VanDerWaalsContact O-CG 3.31Å; D824-Q828 WeakPolarHBondContact O-CG 3.38Å; D824-Q828 PolarHBondContact O-N 3.37Å; V825-Q828 PolarHBondContact O-N 2.82Å; E826-Q828 VanDerWaalsContact C-N 3.31Å; E826-Q828 PolarHBondContact O-N 3.11Å; Q828-K830 PolarHBondContact O-N 3.44Å; Q828-R831 PolarHBondContact O-N 3.27Å; Q828-N832 WeakPolarHBondContact O-CB 3.49Å; Q828-N832 PolarHBondContact O-N 2.99Å
829Q95.3Very high94.9Very high129 Ų129111.5 Ų111.560%0.60353%0.533SS*.Hα-helixtrans-59.2-45.9176.4-74.1-17718.600111.4V825 E826 N832 A833V825-Q829 HydrophobicContact CG1-CG 4.24Å; V825-Q829 WeakPolarHBondContact O-CB 3.29Å; V825-Q829 WeakPolarHBondContact O-CG 3.19Å; V825-Q829 PolarHBondContact O-N 3.3Å; E826-Q829 PolarHBondContact O-N 3.22Å; Q829-N832 WeakPolarHBondContact O-CB 3.37Å; Q829-N832 PolarHBondContact O-N 3.17Å; Q829-A833 WeakPolarHBondContact O-CB 3.31Å; Q829-A833 PolarHBondContact O-N 3.47Å
830K95.4Very high94.8Very high146 Ų146108.5 Ų108.564%0.63552%0.524SS*.Hα-helixtrans-61.2-46.3177.1-175.2170.9-177.3172.50112E826 Q828 N832 A833 D834E826-K830 VanDerWaalsContact O-CB 3.32Å; E826-K830 WeakPolarHBondContact O-CB 3.35Å; E826-K830 PolarHBondContact O-N 3.37Å; Q828-K830 PolarHBondContact O-N 3.44Å; K830-N832 VanDerWaalsContact C-N 3.29Å; K830-N832 PolarHBondContact O-N 3.2Å; K830-A833 PolarHBondContact O-N 2.83Å; K830-D834 WeakPolarHBondContact O-CB 3.48Å; K830-D834 PolarHBondContact O-N 2.84Å
831R95Very high94.7Very high175 Ų175110.9 Ų110.966%0.6652%0.523SS*.Hα-helixtrans-59.1-41174.2179.6179.5-71.8174.3-2.7111.6R827 Q828 L835R827-R831 WeakPolarHBondContact O-CB 3.16Å; R827-R831 PolarHBondContact O-N 3.34Å; Q828-R831 PolarHBondContact O-N 3.27Å; R831-L835 HydrophobicContact CG-CD1 4.09Å; R831-L835 WeakPolarHBondContact O-CB 3.24Å; R831-L835 VanDerWaalsContact O-CG 3.26Å; R831-L835 WeakPolarHBondContact O-CG 3.35Å; R831-L835 PolarHBondContact O-N 3.4Å
832N95.2Very high94.5Very high87 Ų87110.5 Ų110.547%0.46552%0.521SS..Hα-helixtrans-65.5-47.9177.4-163.4-30.5000111Q828 Q829 K830 D834 L835 Q836Q828-N832 WeakPolarHBondContact O-CB 3.49Å; Q828-N832 PolarHBondContact O-N 2.99Å; Q829-N832 WeakPolarHBondContact O-CB 3.37Å; Q829-N832 PolarHBondContact O-N 3.17Å; K830-N832 VanDerWaalsContact C-N 3.29Å; K830-N832 PolarHBondContact O-N 3.2Å; N832-D834 PolarHBondContact O-N 3.07Å; N832-L835 PolarHBondContact O-N 2.91Å; N832-Q836 WeakPolarHBondContact O-CG 3.5Å; N832-Q836 PolarHBondContact O-N 3.37Å; N832-Q836 PolarHBondContact OD1-NE2 3.36Å
833A95.4Very high94.3Very high45 Ų45107 Ų10737%0.37251%0.506SS..Hα-helixtrans-62.4-38.3177.500000113.3Q829 K830 R837Q829-A833 WeakPolarHBondContact O-CB 3.31Å; Q829-A833 PolarHBondContact O-N 3.47Å; K830-A833 PolarHBondContact O-N 2.83Å; A833-R837 WeakPolarHBondContact O-CB 3.47Å; A833-R837 PolarHBondContact O-N 3.43Å
834D95.3Very high94Very high61 Ų61111.8 Ų111.833%0.32652%0.515SS..Hα-helixtrans-68.7-39.7175.4-70.3-26.9000111.5K830 N832 R837 E838K830-D834 WeakPolarHBondContact O-CB 3.48Å; K830-D834 PolarHBondContact O-N 2.84Å; N832-D834 PolarHBondContact O-N 3.07Å; D834-R837 PolarHBondContact O-N 2.89Å; D834-R837 IonicContact OD1-CZ 3.8Å; D834-R837 IonicContact OD1-NH1 2.6Å; D834-R837 PolarHBondContact OD1-NH1 3.18Å; D834-R837 IonicContact OD1-NH2 3.64Å; D834-R837 PolarHBondContact OD1-NH2 3.14Å; D834-E838 PolarHBondContact O-N 2.97Å
835L93.8Very high93.8Very high118 Ų118111 Ų11162%0.61851%0.509SS*.Hα-helixtrans-65.1-41.9172.5-74169.1000112.4R831 N832 R837 E838 Y839R831-L835 HydrophobicContact CG-CD1 4.09Å; R831-L835 WeakPolarHBondContact O-CB 3.24Å; R831-L835 VanDerWaalsContact O-CG 3.26Å; R831-L835 WeakPolarHBondContact O-CG 3.35Å; R831-L835 PolarHBondContact O-N 3.4Å; N832-L835 PolarHBondContact O-N 2.91Å; L835-R837 VanDerWaalsContact C-N 3.29Å; L835-R837 PolarHBondContact O-N 3.19Å; L835-E838 PolarHBondContact O-N 3.39Å; L835-Y839 WeakPolarHBondContact O-CB 3.31Å; L835-Y839 PolarHBondContact O-N 2.88Å
836Q93.6Very high93.5Very high126 Ų126115.1 Ų115.159%0.58952%0.517SS*.Hα-helixtrans-62.3-36.4173.5-7318024.900111.7N832 Y839 G840N832-Q836 WeakPolarHBondContact O-CG 3.5Å; N832-Q836 PolarHBondContact O-N 3.37Å; N832-Q836 PolarHBondContact OD1-NE2 3.36Å; Q836-Y839 PolarHBondContact O-N 3.14Å; Q836-G840 PolarHBondContact O-N 3.21Å
837R94.1Very high93.1Very high150 Ų150114.2 Ų114.257%0.56651%0.513SS*.Hα-helixtrans-67.5-44.7177.4-162-174-50.3107.311.6112A833 D834 L835 G840 R841A833-R837 WeakPolarHBondContact O-CB 3.47Å; A833-R837 PolarHBondContact O-N 3.43Å; D834-R837 PolarHBondContact O-N 2.89Å; D834-R837 IonicContact OD1-CZ 3.8Å; D834-R837 IonicContact OD1-NH1 2.6Å; D834-R837 PolarHBondContact OD1-NH1 3.18Å; D834-R837 IonicContact OD1-NH2 3.64Å; D834-R837 PolarHBondContact OD1-NH2 3.14Å; L835-R837 VanDerWaalsContact C-N 3.29Å; L835-R837 PolarHBondContact O-N 3.19Å; R837-G840 PolarHBondContact O-N 2.94Å; R837-R841 WeakPolarHBondContact O-CB 3.42Å; R837-R841 PolarHBondContact O-N 3.2Å
838E92.5Very high92.7Very high89 Ų89111.8 Ų111.842%0.41651%0.509SS..Hα-helixtrans-68.4-35.2174.4-73.6-61.3135.300111.9D834 L835 R841 L842D834-E838 PolarHBondContact O-N 2.97Å; L835-E838 PolarHBondContact O-N 3.39Å; E838-R841 WeakPolarHBondContact O-CB 3.43Å; E838-R841 PolarHBondContact O-N 3.12Å; E838-R841 IonicContact OE1-NH1 3.43Å; E838-R841 PolarHBondContact OE1-NH1 3.13Å; E838-R841 VanDerWaalsContact OE1-NH1 3.13Å; E838-R841 VanDerWaalsContact OE2-CD 3.28Å; E838-R841 WeakPolarHBondContact OE2-CD 3.45Å; E838-R841 IonicContact OE2-CZ 3.22Å; E838-R841 IonicContact OE2-NE 2.67Å; E838-R841 IonicContact OE2-NH1 2.76Å; E838-R841 PolarHBondContact OE2-NH1 2.9Å; E838-L842 WeakPolarHBondContact O-CB 3.45Å; E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.33Å; E838-L842 PolarHBondContact O-N 3Å
839Y93.2Very high92.1Very high157 Ų157114.1 Ų114.162%0.61651%0.512SS*.Hα-helixtrans-62.2-46.3171.7-176.7-107.3000112.1L835 Q836 R841 L842 I843L835-Y839 WeakPolarHBondContact O-CB 3.31Å; L835-Y839 PolarHBondContact O-N 2.88Å; Q836-Y839 PolarHBondContact O-N 3.14Å; Y839-R841 VanDerWaalsContact C-N 3.29Å; Y839-R841 PolarHBondContact O-N 3.08Å; Y839-L842 PolarHBondContact O-N 3.48Å; Y839-I843 HydrophobicContact CD1-CD1 3.89Å; Y839-I843 HydrophobicContact CE1-CD1 3.41Å; Y839-I843 VanDerWaalsContact CE1-CD1 3.41Å; Y839-I843 HydrophobicContact CE1-CG1 4.34Å; Y839-I843 PolarHBondContact O-N 2.9Å
840G93.6Very high91.5Very high26 Ų26112.8 Ų112.827%0.26851%0.506SS..Hα-helixtrans-64.8-29.6174.500000113.6Q836 R837 R844Q836-G840 PolarHBondContact O-N 3.21Å; R837-G840 PolarHBondContact O-N 2.94Å; G840-R844 WeakPolarHBondContact O-CG 3.19Å; G840-R844 PolarHBondContact O-N 3.28Å
841R94.1Very high90.6Very high136 Ų136108.1 Ų108.151%0.51350%0.495SS..Hα-helixtrans-71.2-41.8171.4-177.2-165.6179-170.91.1111.8R837 E838 Y839 I843 R844 I845R837-R841 WeakPolarHBondContact O-CB 3.42Å; R837-R841 PolarHBondContact O-N 3.2Å; E838-R841 WeakPolarHBondContact O-CB 3.43Å; E838-R841 PolarHBondContact O-N 3.12Å; E838-R841 IonicContact OE1-NH1 3.43Å; E838-R841 PolarHBondContact OE1-NH1 3.13Å; E838-R841 VanDerWaalsContact OE1-NH1 3.13Å; E838-R841 VanDerWaalsContact OE2-CD 3.28Å; E838-R841 WeakPolarHBondContact OE2-CD 3.45Å; E838-R841 IonicContact OE2-CZ 3.22Å; E838-R841 IonicContact OE2-NE 2.67Å; E838-R841 IonicContact OE2-NH1 2.76Å; E838-R841 PolarHBondContact OE2-NH1 2.9Å; Y839-R841 VanDerWaalsContact C-N 3.29Å; Y839-R841 PolarHBondContact O-N 3.08Å; R841-I843 VanDerWaalsContact C-N 3.31Å; R841-R844 PolarHBondContact O-N 3.28Å; R841-I845 HydrophobicContact CG-CD1 4.02Å; R841-I845 WeakPolarHBondContact O-CG1 3.2Å; R841-I845 PolarHBondContact O-N 3.31Å
842L91.3Very high89.8Confident108 Ų108104.9 Ų104.957%0.56549%0.49SS*.Hα-helixtrans-65-35.9174.7-72.3169.2000111.6E838 Y839 R846E838-L842 WeakPolarHBondContact O-CB 3.45Å; E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.33Å; E838-L842 PolarHBondContact O-N 3Å; Y839-L842 PolarHBondContact O-N 3.48Å; L842-R846 WeakPolarHBondContact O-CB 3.5Å; L842-R846 PolarHBondContact O-N 3.23Å
843I91.2Very high88.9Confident60 Ų60103.6 Ų103.631%0.30849%0.492SS..Hα-helixtrans-60.1-52.4168.8-75.5173.2000110.4Y839 R841 I845 R846 E847Y839-I843 HydrophobicContact CD1-CD1 3.89Å; Y839-I843 HydrophobicContact CE1-CD1 3.41Å; Y839-I843 VanDerWaalsContact CE1-CD1 3.41Å; Y839-I843 HydrophobicContact CE1-CG1 4.34Å; Y839-I843 PolarHBondContact O-N 2.9Å; R841-I843 VanDerWaalsContact C-N 3.31Å; I843-I845 PolarHBondContact O-N 2.83Å; I843-R846 CarbonylContact O-C 3.48Å; I843-R846 WeakPolarHBondContact O-CB 3.35Å; I843-R846 WeakPolarHBondContact O-CA 3.5Å; I843-R846 PolarHBondContact O-N 2.96Å; I843-E847 VanDerWaalsContact CG2-CD 3.45Å; I843-E847 PolarHBondContact O-N 3.32Å; I843-E847 WeakPolarHBondContact O-CG 3.32Å; I843-E847 HydrophobicContact CG2-CG 4.14Å; I843-E847 WeakPolarHBondContact CG2-OE1 3.3Å
844R89.9Confident87.7Confident165 Ų165107.9 Ų107.962%0.62350%0.502SS*.Hα-helixtrans-60-43.4178.3-70.7-176.4-144.3-176.93113.3G840 R841 R846 E847 E848G840-R844 WeakPolarHBondContact O-CG 3.19Å; G840-R844 PolarHBondContact O-N 3.28Å; R841-R844 PolarHBondContact O-N 3.28Å; R844-R846 PolarHBondContact O-N 2.9Å; R844-E847 PolarHBondContact O-N 3.47Å; R844-E848 VanDerWaalsContact O-CB 3.25Å; R844-E848 WeakPolarHBondContact O-CB 3.42Å; R844-E848 WeakPolarHBondContact O-CG 3.49Å; R844-E848 PolarHBondContact O-N 3.03Å
845I89.9Confident86.1Confident56 Ų56110.2 Ų110.229%0.28751%0.514SS..Hα-helixtrans-63.4-29.6176.4-68.5167.4000111.2R841 I843 R849R841-I845 HydrophobicContact CG-CD1 4.02Å; R841-I845 WeakPolarHBondContact O-CG1 3.2Å; R841-I845 PolarHBondContact O-N 3.31Å; I843-I845 PolarHBondContact O-N 2.83Å; I845-R849 WeakPolarHBondContact O-CG 3.5Å; I845-R849 PolarHBondContact O-N 3.33Å; I845-R849 WeakPolarHBondContact O-CD 3.46Å; I845-R849 WeakPolarHBondContact O-CB 3.43Å
846R89.5Confident84.6Confident157 Ų157108.4 Ų108.459%0.59252%0.516SS*.Hα-helixtrans-73.4-47.1172.2178.7-179.4171.9-140.4-22.8111.4L842 I843 R844 R849 E850L842-R846 WeakPolarHBondContact O-CB 3.5Å; L842-R846 PolarHBondContact O-N 3.23Å; I843-R846 CarbonylContact O-C 3.48Å; I843-R846 WeakPolarHBondContact O-CB 3.35Å; I843-R846 WeakPolarHBondContact O-CA 3.5Å; I843-R846 PolarHBondContact O-N 2.96Å; R844-R846 PolarHBondContact O-N 2.9Å; R846-R849 CarbonylContact O-C 3.49Å; R846-R849 PolarHBondContact O-N 3.1Å; R846-E850 PolarHBondContact O-N 3.03Å; R846-E850 WeakPolarHBondContact O-CG 3.45Å; R846-E850 WeakPolarHBondContact O-CB 3.49Å; R846-E850 PolarHBondContact NH2-OE2 2.92Å; R846-E850 IonicContact NH2-OE2 2.75Å; R846-E850 PolarHBondContact NH2-OE1 3.15Å; R846-E850 IonicContact NH2-OE1 3.06Å; R846-E850 PolarHBondContact NE-OE1 3.35Å; R846-E850 IonicContact NE-OE1 3.78Å; R846-E850 IonicContact CZ-OE2 3.17Å; R846-E850 IonicContact CZ-OE1 3.02Å; R846-E850 HydrophobicContact CG-CG 4.37Å; R846-E850 IonicContact NE-OE2 2.73Å
847E87.6Confident83Confident111 Ų111106.4 Ų106.452%0.51952%0.516SS..Hα-helixtrans-62.1-43.5177.6-69.4168158.600111.5I843 R844 E850 A851I843-E847 VanDerWaalsContact CG2-CD 3.45Å; I843-E847 PolarHBondContact O-N 3.32Å; I843-E847 WeakPolarHBondContact O-CG 3.32Å; I843-E847 HydrophobicContact CG2-CG 4.14Å; I843-E847 WeakPolarHBondContact CG2-OE1 3.3Å; R844-E847 PolarHBondContact O-N 3.47Å; E847-E850 PolarHBondContact O-N 3.42Å; E847-A851 WeakPolarHBondContact O-CB 3.26Å; E847-A851 PolarHBondContact O-N 3.2Å
848E85.4Confident81.2Confident114 Ų114102.8 Ų102.853%0.53351%0.508SS..Hα-helixtrans-58.4-45171.9-74.2165.7-179.500110.8R844 A851 D852R844-E848 VanDerWaalsContact O-CB 3.25Å; R844-E848 WeakPolarHBondContact O-CB 3.42Å; R844-E848 WeakPolarHBondContact O-CG 3.49Å; R844-E848 PolarHBondContact O-N 3.03Å; E848-A851 PolarHBondContact O-N 3.49Å; E848-D852 PolarHBondContact O-N 2.91Å; E848-D852 WeakPolarHBondContact O-CB 3.44Å
849R83.6Confident79.2Confident181 Ų181106.5 Ų106.568%0.68353%0.527SS*.Hα-helixtrans-71.6-33.7177.3-76.2173.3177.6-167.4-0.9113.9I845 R846 A853I845-R849 WeakPolarHBondContact O-CG 3.5Å; I845-R849 PolarHBondContact O-N 3.33Å; I845-R849 WeakPolarHBondContact O-CD 3.46Å; I845-R849 WeakPolarHBondContact O-CB 3.43Å; R846-R849 CarbonylContact O-C 3.49Å; R846-R849 PolarHBondContact O-N 3.1Å; R849-A853 WeakPolarHBondContact O-CB 3.49Å; R849-A853 PolarHBondContact O-N 3.49Å
850E81.2Confident76.7Confident101 Ų101106.8 Ų106.847%0.47254%0.539SS..Hα-helixtrans-71.5-35.5174.3-74.7176.7178.700110.4R846 E847 F854R846-E850 PolarHBondContact O-N 3.03Å; R846-E850 WeakPolarHBondContact O-CG 3.45Å; R846-E850 WeakPolarHBondContact O-CB 3.49Å; R846-E850 PolarHBondContact NH2-OE2 2.92Å; R846-E850 IonicContact NH2-OE2 2.75Å; R846-E850 PolarHBondContact NH2-OE1 3.15Å; R846-E850 IonicContact NH2-OE1 3.06Å; R846-E850 PolarHBondContact NE-OE1 3.35Å; R846-E850 IonicContact NE-OE1 3.78Å; R846-E850 IonicContact CZ-OE2 3.17Å; R846-E850 IonicContact CZ-OE1 3.02Å; R846-E850 HydrophobicContact CG-CG 4.37Å; R846-E850 IonicContact NE-OE2 2.73Å; E847-E850 PolarHBondContact O-N 3.42Å; E850-F854 VanDerWaalsContact O-CB 3.24Å; E850-F854 WeakPolarHBondContact O-CB 3.26Å; E850-F854 PolarHBondContact O-N 3.02Å
851A76.8Confident74.2Confident48 Ų48111.9 Ų111.940%0.39756%0.56SS.*Hα-helixtrans-70.8-42.4171.900000112.9E847 E848 F854 L855E847-A851 WeakPolarHBondContact O-CB 3.26Å; E847-A851 PolarHBondContact O-N 3.2Å; E848-A851 PolarHBondContact O-N 3.49Å; A851-F854 PolarHBondContact O-N 3.49Å; A851-L855 WeakPolarHBondContact O-CB 3.44Å; A851-L855 WeakPolarHBondContact O-CG 3.5Å; A851-L855 PolarHBondContact O-N 2.76Å
852D78.8Confident71.7Confident106 Ų106112.5 Ų112.557%0.56757%0.572SS**Hα-helixtrans-63-42.4173.5-82.3-17.2000110.9E848 L855 A856E848-D852 PolarHBondContact O-N 2.91Å; E848-D852 WeakPolarHBondContact O-CB 3.44Å; D852-L855 PolarHBondContact O-N 2.7Å; D852-A856 WeakPolarHBondContact O-CB 3.4Å; D852-A856 PolarHBondContact O-N 2.75Å
853A75.8Confident69Low60 Ų60112.5 Ų112.550%0.49658%0.581SS.*Hα-helixtrans-64.2-40.217400000111.7R849 S857R849-A853 WeakPolarHBondContact O-CB 3.49Å; R849-A853 PolarHBondContact O-N 3.49Å; A853-S857 VanDerWaalsContact O-CB 3.31Å; A853-S857 PolarHBondContact O-OG 3.18Å; A853-S857 WeakPolarHBondContact O-CB 3.29Å; A853-S857 PolarHBondContact O-N 2.94Å
854F70.1Confident66.4Low135 Ų135117.3 Ų117.359%0.59261%0.607SS**Hα-helixtrans-64.9-45.5175.4-176.5-98.9000111.9E850 A851 S857 N858E850-F854 VanDerWaalsContact O-CB 3.24Å; E850-F854 WeakPolarHBondContact O-CB 3.26Å; E850-F854 PolarHBondContact O-N 3.02Å; A851-F854 PolarHBondContact O-N 3.49Å; F854-S857 WeakPolarHBondContact CA-OG 3.35Å; F854-S857 PolarHBondContact O-N 2.93Å; F854-S857 PolarHBondContact O-OG 3.22Å; F854-N858 VanDerWaalsContact O-N 3.08Å; F854-N858 PolarHBondContact O-ND2 3.16Å; F854-N858 PolarHBondContact O-N 3.37Å; F854-N858 WeakPolarHBondContact O-CB 3.38Å; F854-N858 WeakPolarHBondContact CZ-ND2 3.49Å; F854-N858 WeakPolarHBondContact CE2-ND2 3.36Å; F854-N858 VanDerWaalsContact CE2-ND2 3.33Å; F854-N858 WeakPolarHBondContact CE1-ND2 3.42Å
855L62.7Low63.8Low111 Ų111113.2 Ų113.258%0.58162%0.616SS**Hα-helixtrans-63.4-45.7175.8-75.6168.6000111.4A851 D852 S857 N858 M859A851-L855 WeakPolarHBondContact O-CB 3.44Å; A851-L855 WeakPolarHBondContact O-CG 3.5Å; A851-L855 PolarHBondContact O-N 2.76Å; D852-L855 PolarHBondContact O-N 2.7Å; L855-S857 VanDerWaalsContact C-N 3.28Å; L855-S857 PolarHBondContact O-N 3.04Å; L855-N858 CarbonylContact O-C 3.5Å; L855-N858 PolarHBondContact O-N 2.95Å; L855-N858 VanDerWaalsContact O-N 3.11Å; L855-M859 WeakPolarHBondContact O-CB 3.18Å; L855-M859 PolarHBondContact O-N 2.8Å
856A62.5Low61Low80 Ų80114.8 Ų114.866%0.66165%0.646SS**Hα-helixtrans-62.8-33.3175.100000112.5D852 N858D852-A856 WeakPolarHBondContact O-CB 3.4Å; D852-A856 PolarHBondContact O-N 2.75Å; A856-N858 VanDerWaalsContact C-N 3.32Å
857S59.6Low58.3Low83 Ų83111.2 Ų111.258%0.5866%0.658SS**Hα-helixtrans-74.9-18.8174.874.50000114.2A853 F854 L855A853-S857 VanDerWaalsContact O-CB 3.31Å; A853-S857 PolarHBondContact O-OG 3.18Å; A853-S857 WeakPolarHBondContact O-CB 3.29Å; A853-S857 PolarHBondContact O-N 2.94Å; F854-S857 WeakPolarHBondContact CA-OG 3.35Å; F854-S857 PolarHBondContact O-N 2.93Å; F854-S857 PolarHBondContact O-OG 3.22Å; L855-S857 VanDerWaalsContact C-N 3.28Å; L855-S857 PolarHBondContact O-N 3.04Å
858N56.2Low55.8Low75 Ų75112 Ų11240%0.40168%0.676SS.*SBendtrans-116.410.7-175.1-72.2-42.9000113.9F854 L855 A856 D860 L861F854-N858 VanDerWaalsContact O-N 3.08Å; F854-N858 PolarHBondContact O-ND2 3.16Å; F854-N858 PolarHBondContact O-N 3.37Å; F854-N858 WeakPolarHBondContact O-CB 3.38Å; F854-N858 WeakPolarHBondContact CZ-ND2 3.49Å; F854-N858 WeakPolarHBondContact CE2-ND2 3.36Å; F854-N858 VanDerWaalsContact CE2-ND2 3.33Å; F854-N858 WeakPolarHBondContact CE1-ND2 3.42Å; L855-N858 CarbonylContact O-C 3.5Å; L855-N858 PolarHBondContact O-N 2.95Å; L855-N858 VanDerWaalsContact O-N 3.11Å; A856-N858 VanDerWaalsContact C-N 3.32Å; N858-D860 PolarHBondContact O-N 2.69Å; N858-L861 PolarHBondContact O-N 3.43Å
859M49.4Very low53.2Low166 Ų166110.6 Ų110.682%0.81869%0.693SS**THydrogen-bonded Turntrans-73.631.3-173.6-152.8-148.113800115.3L855L855-M859 WeakPolarHBondContact O-CB 3.18Å; L855-M859 PolarHBondContact O-N 2.8Å
860D41.6Very low50.8Low163 Ų163105.5 Ų105.587%0.87270%0.696SS**THydrogen-bonded Turntrans-124.6-3.1172.9-104.3-35.9000112.9N858N858-D860 PolarHBondContact O-N 2.69Å
861L40.6Very low48.4Very low134 Ų134109 Ų10970%0.70271%0.71SS**SBendtrans-128.3116-176.3-80.6114.3000115.7N858N858-L861 PolarHBondContact O-N 3.43Å
862I43Very low46.3Very low148 Ų148112 Ų11276%0.75972%0.719SS**  trans74.298.3147.8-52.5168.6000117
863S34.1Very low44.2Very low108 Ų108114.8 Ų114.876%0.75573%0.734SS**  trans-89.4118.3147.258.30000110.9
864N37.1Very low42.4Very low161 Ų161115.5 Ų115.586%0.86175%0.747SS**  trans177.6144.1151-99.4-30.2000113.4
865G34.7Very low40.9Very low79 Ų79116.3 Ų116.381%0.81476%0.758SS**  trans78.9134.6171.400000114.4
866G30.6Very low40Very low89 Ų89117.1 Ų117.192%0.91877%0.767SS**  cis9792.3-1.900000113.6
867G33.8Very low39.2Very low82 Ų82118.7 Ų118.785%0.84577%0.771SS**  trans-169.8143.2174.600000110.8
868S34.7Very low38.3Very low127 Ų127121.7 Ų121.789%0.88878%0.779SS**  trans-137.5145.9-171.255.40000113.1
869G31.2Very low37.6Very low86 Ų86122.7 Ų122.789%0.88779%0.792SS**  trans84159.4-177.300000113.7
870G31.5Very low37.2Very low73 Ų73121.4 Ų121.475%0.75379%0.788SS**  cis155.2142.8-9.900000113.5
871K32.7Very low37Very low176 Ų176119.3 Ų119.377%0.76578%0.781SS**  trans75143.2165.6-89.6-178.7137.1-86.30120.4
872D32.4Very low36.7Very low109 Ų109118 Ų11858%0.58378%0.784SS**  trans65.3125.4145.7-47.9-15.2000122
873D34.7Very low36.2Very low166 Ų166116.7 Ų116.789%0.88879%0.787SS**  trans58.9139.7145.4-51.3-24.2000124.2
874G36.5Very low36.1Very low74 Ų74114.8 Ų114.876%0.76378%0.784SS**  trans153.398.1158.500000119.6
875D39Very low35.7Very low153 Ų153114.5 Ų114.582%0.81878%0.783SS**  trans55.7101.5145.2-61.3-20.5000125.1
876T44.9Very low35.6Very low128 Ų128116.6 Ų116.679%0.78578%0.78SS**  0.4166.9119.128.80000121.4
877P44.3Very low35.6Very low112 Ų112117.7 Ų117.773%0.72777%0.769SS**  cis-131.8-158.930.325.42.9000113.6
878I42.4Very low35.4Very low147 Ų147119.5 Ų119.575%0.75477%0.768SS**  cis-151.8139.217-44.6156.6000111.5
879S40.1Very low35.3Very low96 Ų96119.1 Ų119.167%0.67176%0.755SS**  trans32146.5151.685.20000123.2
880N40.4Very low35.4Very low138 Ų138120.7 Ų120.774%0.73875%0.752SS**  cis-166.7149.1-0.4-121.210000112.9
881T38Very low35.4Very low120 Ų120122.1 Ų122.174%0.73675%0.747SS**  trans39.7138.9145.459.70000122.5
882S35.7Very low35.7Very low107 Ų107120.8 Ų120.875%0.74875%0.748SS**  cis-164.8143.7-11.451.80000112.2
883S31.1Very low35.7Very low120 Ų120122.6 Ų122.684%0.83976%0.756SS**  trans-34.4154157.451.40000117.6
884G32.8Very low35.5Very low67 Ų67121.8 Ų121.869%0.69175%0.747SS**  trans167.190.8157.700000117
885D29.3Very low35.3Very low155 Ų155123.7 Ų123.783%0.82975%0.748SS**  trans58.9123.8136.9-62.8-10.3000124.5
886V30.6Very low35Very low124 Ų124124.7 Ų124.775%0.75275%0.748SS**  64.7102126.8-176.90000118.7
887T31.6Very low34.3Very low112 Ų112123.1 Ų123.169%0.68774%0.742SS**  -173.614110324.70000112.1I889T887-I889 HydrophobicContact CG2-CD1 4.5Å; T887-I889 HydrophobicContact CG2-CG1 4.28Å
888S29.4Very low33.7Very low119 Ų119124.7 Ų124.783%0.83275%0.745SS**  trans-82.1118.7149.853.30000108.5
889I32.3Very low33.3Very low120 Ų120123.1 Ų123.162%0.61574%0.742SS**  trans-12087.5169-54.1-168.8000109.1T887 T891T887-I889 HydrophobicContact CG2-CD1 4.5Å; T887-I889 HydrophobicContact CG2-CG1 4.28Å; I889-T891 HydrophobicContact CG2-CG2 3.71Å; I889-T891 WeakPolarHBondContact CG2-OG1 3.16Å
890S34.3Very low32.9Very low118 Ų118126.8 Ų126.883%0.82575%0.748SS**  trans-78.7119.1143.3-60.20000107
891T31.3Very low32.6Very low104 Ų104125.5 Ų125.564%0.63875%0.751SS**  trans-135.895.7163.643.40000109.8I889I889-T891 HydrophobicContact CG2-CG2 3.71Å; I889-T891 WeakPolarHBondContact CG2-OG1 3.16Å
892D38.4Very low32.6Very low147 Ų147124.6 Ų124.679%0.78675%0.749SS**  trans-54.8131.1142.9-56-82000108.9
893I33.6Very low32.6Very low147 Ų147128.4 Ų128.475%0.75476%0.755SS**  trans-157.290.5156.9-97.6138.7000104.4
894H29.2Very low32.9Very low150 Ų150127.4 Ų127.469%0.69475%0.754SS**  90.8103.686.5-10065.2000112.5Q896H894-Q896 PolarHBondContact O-N 3.12Å
895S33.7Very low32.7Very low114 Ų114133.5 Ų133.580%0.79776%0.764SS**  trans-55.9127.8154.2-33.30000109.7
896Q31.3Very low33.1Very low174 Ų174135.9 Ų135.981%0.81377%0.767SS**  trans-159.6161151.8-121.5148100.900113.4H894H894-Q896 PolarHBondContact O-N 3.12Å
897S31.6Very low33.3Very low94 Ų94139.1 Ų139.166%0.65777%0.774SS**  trans-103154.6-157.3460000114.7
898N30.5Very low33.3Very low146 Ų146138.9 Ų138.978%0.78177%0.772SS**  trans71.7157.1143.3-70.3-4.4000122.4
899T34.7Very low33.7Very low114 Ų114141.3 Ų141.370%0.69978%0.775SS**  trans73.9101.9152.837.10000120.9
900E31.5Very low33.7Very low172 Ų172145.8 Ų145.880%0.80479%0.785SS**  58.1107.4123-63.2175.6-177.400120.8
901S34.9Very low33.6Very low112 Ų112143.5 Ų143.578%0.78378%0.78SS**  172.6145.7101.3-80.20000116.1
902S37.9Very low33.7Very low100 Ų100146.4 Ų146.470%0.69979%0.792SS**  trans65.2112.4150-71.90000123.7
903Q34.3Very low33.4Very low188 Ų188148.6 Ų148.688%0.87980%0.795SS**  69.896128.3-58.3-179.714.600121.4
904A37.1Very low33.5Very low98 Ų98148.1 Ų148.181%0.8179%0.793SS**  trans-163.3103.2132.800000113.7
905Q30Very low33.6Very low196 Ų196147.2 Ų147.292%0.91679%0.791SS**  trans17.198.7153.6-66171.2-23.400120.3
906K36.4Very low33.7Very low205 Ų205145.5 Ų145.589%0.89178%0.776SS**  trans-136.9112.6139.6-77.3-172.4179.4174.30109.3
907Q35.4Very low33.7Very low192 Ų192141.8 Ų141.890%0.89777%0.769SS**  trans-107114175.8-80.9-176.5-20.600111.5
908T31.1Very low33.9Very low106 Ų106140.9 Ų140.965%0.6577%0.774SS**  23.8129.3125.5-41.40000119.2Y910T908-Y910 HydrophobicContact CG2-CD2 3.98Å; T908-Y910 HydrophobicContact CG2-CE2 4.02Å
909I38.9Very low34.1Very low171 Ų171142.9 Ų142.988%0.87778%0.776SS**  trans-147.8149.2131.3-107.3157.1000109.5
910Y32.3Very low33.8Very low213 Ų213149.8 Ų149.884%0.83579%0.789SS**  trans-82138-169.3-88.1-121.8000113.7T908T908-Y910 HydrophobicContact CG2-CD2 3.98Å; T908-Y910 HydrophobicContact CG2-CE2 4.02Å
911G31.1Very low34Very low70 Ų70148 Ų14872%0.72278%0.784SS**  64.2130.5121.700000121
912N34.4Very low34Very low165 Ų165147.3 Ų147.388%0.88279%0.785SS**  -148.4149.9126.3-136.5-37.1000112.3
913K33Very low33.7Very low194 Ų194147.9 Ų147.984%0.84378%0.784SS**  trans-100.5131.7176.8-72.1179175.81790109.5
914N34Very low33.7Very low136 Ų136145.2 Ų145.273%0.72778%0.781SS**  trans-162.4110.1164.1-119.3-22.8000112.8
915M31.2Very low33.6Very low132 Ų132149.7 Ų149.765%0.6579%0.785SS**  173.5120126.9-94.4167.564.200110.3P254P254-M915 HydrophobicContact CG-CE 4.49Å
916V37.2Very low33.8Very low78 Ų78147.2 Ų147.247%0.47378%0.777SS.*  6993.2107.6178.70000112.5Q250Q250-V916 WeakPolarHBondContact O-CG2 3.49Å
917S31.6Very low33.7Very low96 Ų96145.1 Ų145.167%0.67177%0.77SS**  7391.272.2-1690000113.4
918G35Very low33.7Very low75 Ų75142.3 Ų142.377%0.77376%0.761SS**  trans-111.5110.7178.100000113.2
919K34.6Very low34.1Very low187 Ų187143.7 Ų143.781%0.81376%0.763SS**  trans12.3114.3160.5-65.8169.3-180170.60118.8I921K919-I921 HydrophobicContact CB-CG1 4.46Å
920W28Very low34.1Very low259 Ų259144.1 Ų144.198%0.98176%0.761SS**  trans-79.7130144.8-77.379.7000109.5
921I35.2Very low34.6Very low136 Ų136141 Ų14170%0.69776%0.759SS**  trans-119.7137.2167.4-66.8177.8000107.3K919 V923K919-I921 HydrophobicContact CB-CG1 4.46Å; I921-V923 HydrophobicContact CG2-CG2 4.32Å
922A36.6Very low35.4Very low96 Ų96143.3 Ų143.379%0.79376%0.761SS**  trans-108117.9179.800000110.6
923V31.7Very low35.6Very low112 Ų112142.4 Ų142.468%0.67976%0.757SS**  trans-141.294.3168.6176.20000104.6I921I921-V923 HydrophobicContact CG2-CG2 4.32Å
924T34Very low35.9Very low133 Ų133142.1 Ų142.182%0.81676%0.758SS**  37.181.293.662.80000112.9
925Q34.2Very low36.2Very low192 Ų192140.6 Ų140.690%0.89776%0.756SS**  trans-104.7131.5171.3-155.8158.43.300109.9
926I33.7Very low36.4Very low144 Ų144141.6 Ų141.674%0.73876%0.761SS**  trans-98.6155.8179.2-70.5172.2000108.1
927E33.8Very low36.2Very low161 Ų161144.9 Ų144.975%0.75278%0.775SS**  trans-13.7147.3167-54.2168141.800118.9
928N35.5Very low36.4Very low133 Ų133148.1 Ų148.171%0.71178%0.784SS**  trans94.6114.3143.5-66.7-23.3000122.3
929I39.2Very low36.6Very low134 Ų134149.5 Ų149.569%0.68778%0.782SS**  103.1135.8122.2-73.1170.5000120.4
930E39.9Very low36.6Very low180 Ų180148.7 Ų148.784%0.84179%0.786SS**  trans79.890.4160.5-83.2144.9-151.500122.4
931D43.2Very low37Very low149 Ų149140.1 Ų140.180%0.79778%0.778SS**  trans-39.7170.1138.9-74.1-55.4000115.3
932P46.4Very low36.9Very low117 Ų117142.5 Ų142.576%0.7679%0.786SS**  cis-150.9173.536.343.7-22.2000121.8
933D39.9Very low36.9Very low147 Ų147145.7 Ų145.779%0.78679%0.788SS**  trans-20.4146.1160.9-67.5-45.6000119.8
934Q39.3Very low36.8Very low188 Ų188146.7 Ų146.788%0.87979%0.789SS**  -160.4161.299.4-95-154.52.600113.5
935P39.8Very low36.9Very low104 Ų104147.3 Ų147.368%0.67579%0.793SS**  trans-113.6-176.9-160.542.1-33.2000114.6
936M35.2Very low36.9Very low153 Ų153147.2 Ų147.275%0.75479%0.79SS**  174.2136.4122.3-89.1-73.1-93.700114.6
937L34.2Very low36.8Very low146 Ų146145.5 Ų145.576%0.76479%0.791SS**  trans45.9130.6151-61.2-179.5000125.2
938L35.7Very low36.7Very low165 Ų165145.1 Ų145.186%0.86479%0.793SS**  trans-62.2160.5160.7-58.2146.8000113.9
939S37.8Very low36.7Very low104 Ų104146.5 Ų146.573%0.72780%0.795SS**  -166.3139.4117.649.80000114.7
940N35.9Very low36.4Very low170 Ų170148 Ų14891%0.90980%0.804SS**  trans53.1136.5146.3-52.2-11.6000122.1
941G35.5Very low36.2Very low79 Ų79144.8 Ų144.881%0.81480%0.802SS**  trans16257.9171.800000116.7
942E33.7Very low35.7Very low185 Ų185145 Ų14586%0.86480%0.802SS**  trans-3145.9166.9-52.7-177.8142.400122.1
943I35.5Very low35Very low164 Ų164147 Ų14784%0.84180%0.802SS**  -169.2154.8120.4-98.6157.9000112.4
944L31.5Very low34.6Very low132 Ų132147 Ų14769%0.69180%0.795SS**  trans-70.3149.5-160.8-58.372.9000116.8
945T35.8Very low34.3Very low147 Ų147144.9 Ų144.990%0.90279%0.785SS**  trans-132.7147133.248.30000109.6
946K34.4Very low34.1Very low189 Ų189145.7 Ų145.782%0.82278%0.783SS**  trans-92155-166.5-64177.8179.3178.30113.1
947S30.1Very low34.2Very low109 Ų109144.6 Ų144.676%0.76278%0.781SS**  trans-137.5126.2163.8-179.50000110
948L33.5Very low34.4Very low152 Ų152144.2 Ų144.280%0.79678%0.78SS**  trans-138.5122.5168.3-77.4157.3000104
949H33.7Very low34.5Very low163 Ų163142.2 Ų142.276%0.75577%0.77SS**  57.886.766.8-76.782000112.7
950D33Very low34.4Very low164 Ų164142.6 Ų142.688%0.87776%0.764SS**  trans-62.5139.8153.2-72.7-56.8000110.1
951S35.9Very low34.5Very low114 Ų114140.2 Ų140.280%0.79775%0.751SS**  trans-152.2144.8166.8-85.90000109
952N33.6Very low34.5Very low152 Ų152142.3 Ų142.381%0.81374%0.743SS**  trans-76.1156.5-170.9-77.6-70000113.4
953H31Very low34.5Very low160 Ų160139.6 Ų139.674%0.74174%0.735SS**  trans86.7133.4144.1-91.228.4000121.8
954F32.1Very low34.5Very low148 Ų148137.8 Ų137.865%0.64973%0.727SS**  trans65.2102148.5-86.5-101.5000121.5
955E33.5Very low34.7Very low143 Ų143138 Ų13867%0.66872%0.724SS**  64.8140.6117.1-76-165.8176.400122.7
956N35.5Very low34.8Very low120 Ų120138.3 Ų138.364%0.64272%0.715SS**  trans73.891.1148.9-58.3-22.3000118.9
957D36.9Very low34.9Very low131 Ų131135.9 Ų135.970%0.70171%0.706SS**  80.4126.9110.1-87.127.6000122.1
958N38.7Very low35.2Very low138 Ų138139.7 Ų139.774%0.73871%0.705SS**  trans63.1127.6141.1-61.9-42.9000118.8
959N36.4Very low35.4Very low123 Ų123137.9 Ų137.966%0.65870%0.701SS**  cis171.3165.37.6178.829.7000105.9
960D36.2Very low35.7Very low112 Ų112135.5 Ų135.560%0.59970%0.698SS**  trans61.7113.4151.6-85.1-24.9000123.3
961N37.4Very low36Very low119 Ų119133.8 Ų133.864%0.63669%0.689SS**  85.9113.7120.2-76.1-39.3000123.7
962N35.5Very low36.3Very low123 Ų123136 Ų13666%0.65869%0.686SS**  86.2131.6120.2-80.4-33.8000123.2
963N35.1Very low36.7Very low128 Ų128134.8 Ų134.868%0.68468%0.68SS**  trans80111.7134.1-73.5-24.9000122.1
964N35.6Very low37.1Very low127 Ų127132.8 Ų132.868%0.67968%0.678SS**  97.3132118.4-91.7-32.9000122.7
965H35.4Very low37.5Very low136 Ų136131.3 Ų131.363%0.6368%0.681SS**  trans84.7127.8134-87.843.5000122
966H38Very low37.7Very low153 Ų153131.8 Ų131.871%0.70869%0.686SS**  trans72.8159.6137.9-74.98.6000119.2
967H35.2Very low38.2Very low138 Ų138130.8 Ų130.864%0.63969%0.686SS**  cis-171.4179.9-36.7-146.2-9.2000107.9
968Y36.9Very low38.1Very low189 Ų189131.9 Ų131.974%0.74169%0.691SS**  trans66.5115.6170.7-68-70.4000117.3
969T37.1Very low38.3Very low114 Ų114131.2 Ų131.270%0.69970%0.697SS**  66.7143.485.567.20000114.9
970T40.5Very low38.3Very low113 Ų113131.9 Ų131.969%0.69370%0.7SS**  cis-154.6-154.79.3-4.60000110
971D39.9Very low38.5Very low129 Ų129134.4 Ų134.469%0.6971%0.714SS**  cis-160.2-1797.7-124-38.2000115.2
972E41.7Very low38.5Very low160 Ų160135.3 Ų135.375%0.74872%0.719SS**  trans-15.6165.2156.3-70.4-163.8-175.700122.3
973N41.1Very low38.7Very low127 Ų127138.9 Ų138.968%0.67973%0.731SS**  cis-166.8-172.7-5.9-117.5-44000108.9
974V41.1Very low38.7Very low117 Ų117141.6 Ų141.671%0.70974%0.737SS**  cis-157.2154.34.498.10000114
975V39.2Very low38.9Very low117 Ų117141.9 Ų141.971%0.70974%0.744SS**  trans6.5121.4151-177.70000124.5
976M37.7Very low38.9Very low154 Ų154140.4 Ų140.476%0.75975%0.748SS**  27.8174.1113.6-79.4-89.3-87.600123.1
977P45.7Very low38.8Very low99 Ų99137.6 Ų137.664%0.64375%0.746SS**  cis-140167.8-3.228.3-3.3000119.9
978L36.4Very low38.7Very low154 Ų154137.7 Ų137.781%0.80675%0.751SS**  trans40.2133139-59.4169.8000125.4
979S42.4Very low38.6Very low123 Ų123136.2 Ų136.286%0.8676%0.756SS**  -166159.4121.9-163.90000112.9
980N37.3Very low38.3Very low138 Ų138137.7 Ų137.774%0.73877%0.765SS**  trans-104.1159.7-173.2-74.7-31.3000114.1
981N40.3Very low38.1Very low165 Ų165141.5 Ų141.588%0.88278%0.775SS**  -167.6157.3118.7-99.2-34.1000114.4
982N36.2Very low38Very low138 Ų138140 Ų14074%0.73878%0.775SS**  trans-86.4159.5-176.9-71.2-77.7000113.3
983E39.6Very low37.7Very low198 Ų198139.2 Ų139.293%0.92578%0.775SS**  -156.4169.6116.2-117.4172.4-161.400112.8
984K36.1Very low37.5Very low185 Ų185141 Ų14180%0.80478%0.784SS**  trans-126.1143.8-165.1-62.4175.5177.9177.70113.1
985T38.3Very low37.4Very low133 Ų133141.8 Ų141.882%0.81679%0.785SS**  trans-171.8119.5144.625.50000107.5
986S35.4Very low37.5Very low104 Ų104141.6 Ų141.673%0.72778%0.779SS**  50.5126.686.4740000114
987S35.8Very low37.4Very low95 Ų95142.9 Ų142.966%0.66479%0.785SS**  cis-167.8158.614.2520000112.8
988N33.6Very low37.2Very low140 Ų140144.5 Ų144.575%0.74979%0.787SS**  trans62.9118.5156-55.7-6.8000119.2
989D35Very low37.5Very low157 Ų157143.6 Ų143.684%0.8478%0.779SS**  177.799.9120-92.1-7.2000110
990T31.6Very low37.4Very low145 Ų145142.6 Ų142.689%0.8977%0.768SS**  trans-113.453.6-168.354.70000113.9
991E34.9Very low37.6Very low193 Ų193141.8 Ų141.890%0.90277%0.768SS**  trans-134.574.7175.9-69.4-161.2157.300113.3
992S38.8Very low37.9Very low98 Ų98138.6 Ų138.669%0.68575%0.754SS**  trans-157.5-26.5171.461.10000117.8N994S992-N994 PolarHBondContact O-N 3.04Å; S992-N994 VanDerWaalsContact O-N 3.13Å; S992-N994 VanDerWaalsContact C-N 3.32Å
993L35.9Very low38.1Very low143 Ų143138.5 Ų138.575%0.74975%0.748SS**G310 helixtrans-81.111-162.8-71173.1000117.5I996L993-I996 HydrophobicContact CD2-CD1 4.19Å
994N37.4Very low38Very low164 Ų164137.7 Ų137.788%0.87774%0.744SS**G310 helixtrans-85.60.2-177.9-90.5-30.3000116.1S992S992-N994 PolarHBondContact O-N 3.04Å; S992-N994 VanDerWaalsContact O-N 3.13Å; S992-N994 VanDerWaalsContact C-N 3.32Å
995N38.5Very low38.1Very low134 Ų134135.5 Ų135.572%0.71774%0.736SS**G310 helixtrans-99-12.9-177-86.5-25.1000115.6
996I40.5Very low38.1Very low114 Ų114134.1 Ų134.159%0.58573%0.728SS**G310 helixtrans-86.8-28.4-163.9-62.9176.7000113.5L993 L998L993-I996 HydrophobicContact CD2-CD1 4.19Å; I996-L998 VanDerWaalsContact C-N 3.28Å; I996-L998 PolarHBondContact O-N 3.28Å
997M36.4Very low38.1Very low180 Ų180136 Ų13689%0.88773%0.728SS**G310 helixtrans-76.5-1.4-177.9-86.4-152.4-75.400116
998L40.4Very low37.8Very low133 Ų133137.3 Ų137.370%0.69674%0.737SS**G310 helixtrans-102.3-10179.8-77.3168.8000114.8I996I996-L998 VanDerWaalsContact C-N 3.28Å; I996-L998 PolarHBondContact O-N 3.28Å
999E42.4Very low37.6Very low136 Ų136135 Ų13564%0.63673%0.732SS**SBendtrans-91.5-16.2-176.8-63.2-157.9135.400114.4
1000T40.5Very low37.5Very low101 Ų101138.4 Ų138.462%0.6274%0.743SS**SBendtrans-74.1-38.9-173.2-36.50000112.7V1002 K1003T1000-V1002 VanDerWaalsContact C-N 3.28Å; T1000-V1002 PolarHBondContact O-N 3.24Å; T1000-K1003 PolarHBondContact O-N 3.03Å
1001T41.9Very low37.8Very low121 Ų121138.1 Ų138.174%0.74274%0.735SS**G310 helixtrans-71.4-18.8-173.4-33.50000113.7
1002V46.4Very low37.9Very low98 Ų98135.2 Ų135.259%0.59473%0.727SS**G310 helixtrans-77.8-23.2-179-178.10000112T1000 Q1004T1000-V1002 VanDerWaalsContact C-N 3.28Å; T1000-V1002 PolarHBondContact O-N 3.24Å; V1002-Q1004 VanDerWaalsContact C-N 3.3Å; V1002-Q1004 PolarHBondContact O-N 3Å
1003K40.8Very low37.9Very low137 Ų137137.3 Ų137.360%0.59673%0.729SS**G310 helixtrans-75.1-7-167.8-67.5-178.3178.5177.30115.7T1000T1000-K1003 PolarHBondContact O-N 3.03Å
1004Q37.8Very low38Very low181 Ų181136.9 Ų136.985%0.84673%0.728SS**G310 helixtrans-94.5-10.3-179.3-73.7-174.4-17.300115V1002V1002-Q1004 VanDerWaalsContact C-N 3.3Å; V1002-Q1004 PolarHBondContact O-N 3Å
1005Q38.3Very low38Very low139 Ų139135.3 Ų135.365%0.6572%0.718SS**SBendtrans-103.10.7-178.4-96.5-176.62.800115.4
1006T37.8Very low38Very low103 Ų103135.3 Ų135.363%0.63272%0.718SS**SBendtrans-10710.5-177.252.60000114.5
1007I35Very low37.8Very low143 Ų143136.9 Ų136.973%0.73373%0.728SS**SBendtrans-104-14.3-178-62.8175.2000111.9S1009I1007-S1009 VanDerWaalsContact C-N 3.32Å; I1007-S1009 PolarHBondContact O-N 3.33Å
1008S30.5Very low37.9Very low123 Ų123133.5 Ų133.586%0.8672%0.716SS**SBendtrans-9450.2176.7-1630000112.1
1009S30Very low37.7Very low91 Ų91133.6 Ų133.664%0.63672%0.717SS**  trans-166.162.7171.666.10000113I1007I1007-S1009 VanDerWaalsContact C-N 3.32Å; I1007-S1009 PolarHBondContact O-N 3.33Å
1010H31.3Very low37.3Very low230 Ų230133.4 Ų133.4100%1.06573%0.725SS**  trans-119.90155.6-87.56.1000107.5

Retrieved 1,010 of 1,010 residues in 942.1 ms (Link to these results)

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