A0A3Q0KKM0_SCHMA Loading...

Vacuolar protein sorting-associated protein 16 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KKM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 961 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
1M45.8Very low81.5Confident163 Ų16369.5 Ų69.580%0.80338%0.384SS*.  0113.10-73170.8-161.500105.6E415M1-E415 WeakPolarHBondContact CG-OE1 3.32Å
2T61.8Low81.8Confident82 Ų8266.7 Ų66.750%0.50338%0.382SS..PPolyproline II helixtrans-61138.1167.539.20000108E6T2-E6 VanDerWaalsContact CA-OE2 3.3Å; T2-E6 WeakPolarHBondContact CA-OE2 3.07Å
3V75.6Confident82.2Confident102 Ų10270.9 Ų70.962%0.61840%0.403SS*.PPolyproline II helixtrans-70.1136.4178.1178.10000107.4G5 E6V3-G5 PolarHBondContact O-N 3.37Å; V3-E6 HydrophobicContact CB-CB 4.34Å; V3-E6 PolarHBondContact N-OE2 3.04Å; V3-E6 VanDerWaalsContact O-CB 3.23Å; V3-E6 WeakPolarHBondContact O-CB 3.45Å; V3-E6 PolarHBondContact O-N 3.26Å
4L85.8Confident82.8Confident30 Ų3066.9 Ų66.916%0.15738%0.379CS..THydrogen-bonded Turntrans-57.9116174.9176.465.9000108.3W8 L350 L353 L366L4-W8 HydrophobicContact CD1-CH2 4.16Å; L4-W8 HydrophobicContact CD1-CZ2 3.76Å; L4-W8 HydrophobicContact CG-CH2 4.13Å; L4-W8 HydrophobicContact CG-CZ2 4.19Å; L4-L350 HydrophobicContact CD1-CD2 4.06Å; L4-L353 HydrophobicContact CD2-CB 3.72Å; L4-L366 HydrophobicContact CD2-CD2 4.23Å
5G85.5Confident83.5Confident20 Ų2065 Ų6521%0.20636%0.364CS..THydrogen-bonded Turntrans102.3-3.4-17800000116V3 D7 W8V3-G5 PolarHBondContact O-N 3.37Å; G5-D7 VanDerWaalsContact C-N 3.31Å; G5-D7 PolarHBondContact O-N 3.01Å; G5-W8 VanDerWaalsContact CA-CD2 3.4Å; G5-W8 WeakPolarHBondContact O-CB 3.44Å; G5-W8 PolarHBondContact O-N 3.08Å
6E85.5Confident84.2Confident120 Ų12060.9 Ų60.956%0.56134%0.342SS*.THydrogen-bonded Turntrans-59.3-39.2-179.7-170.2170.5-175.500112.8T2 V3 W8T2-E6 VanDerWaalsContact CA-OE2 3.3Å; T2-E6 WeakPolarHBondContact CA-OE2 3.07Å; V3-E6 HydrophobicContact CB-CB 4.34Å; V3-E6 PolarHBondContact N-OE2 3.04Å; V3-E6 VanDerWaalsContact O-CB 3.23Å; V3-E6 WeakPolarHBondContact O-CB 3.45Å; V3-E6 PolarHBondContact O-N 3.26Å; E6-W8 VanDerWaalsContact C-N 3.32Å; E6-W8 PolarHBondContact O-N 2.75Å
7D86.9Confident84.8Confident116 Ų11658.1 Ų58.162%0.6232%0.324SS*.THydrogen-bonded Turntrans-91.814.3-178.4-55.8-38.3000113.6G5G5-D7 VanDerWaalsContact C-N 3.31Å; G5-D7 PolarHBondContact O-N 3.01Å
8W93.5Very high85.4Confident38 Ų3858.6 Ų58.614%0.14432%0.323CS..EExtended strand (participates in β ladder)trans-93.5143.4-179.7-58.7-3.3000110.8L4 G5 E6 Y15 F16 R17 V346 L350 G354L4-W8 HydrophobicContact CD1-CH2 4.16Å; L4-W8 HydrophobicContact CD1-CZ2 3.76Å; L4-W8 HydrophobicContact CG-CH2 4.13Å; L4-W8 HydrophobicContact CG-CZ2 4.19Å; G5-W8 VanDerWaalsContact CA-CD2 3.4Å; G5-W8 WeakPolarHBondContact O-CB 3.44Å; G5-W8 PolarHBondContact O-N 3.08Å; E6-W8 VanDerWaalsContact C-N 3.32Å; E6-W8 PolarHBondContact O-N 2.75Å; W8-Y15 HydrophobicContact CB-CD1 4.23Å; W8-F16 WeakPolarHBondContact CA-O 3.41Å; W8-R17 HydrophobicContact CG-CB 4.43Å; W8-V346 HydrophobicContact CB-CG2 4.33Å; W8-V346 HydrophobicContact CD2-CB 4.42Å; W8-V346 HydrophobicContact CD2-CG1 3.95Å; W8-V346 HydrophobicContact CD2-CG2 3.61Å; W8-V346 HydrophobicContact CE3-CG1 3.95Å; W8-V346 HydrophobicContact CE3-CG2 4.09Å; W8-V346 HydrophobicContact CG-CG2 3.71Å; W8-V346 HydrophobicContact CH2-CG1 3.75Å; W8-V346 HydrophobicContact CZ2-CG1 3.72Å; W8-V346 HydrophobicContact CZ3-CG1 3.85Å; W8-L350 HydrophobicContact CH2-CB 4.11Å; W8-L350 VanDerWaalsContact CH2-O 3.31Å; W8-L350 WeakPolarHBondContact CH2-O 3.21Å; W8-L350 HydrophobicContact CZ2-CB 4.17Å; W8-G354 VanDerWaalsContact CZ3-C 3.46Å
9F93.5Very high85.8Confident37 Ų3757.1 Ų57.116%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-126.5141.8173.959.9-85.5000109.9I11 F16 I307 Y315 L343F9-I11 HydrophobicContact CD2-CD1 4.38Å; F9-I11 HydrophobicContact CD2-CG1 4.16Å; F9-I11 HydrophobicContact CE2-CD1 3.97Å; F9-I11 HydrophobicContact CE2-CG1 4.25Å; F9-F16 HydrophobicContact CD2-CB 4.11Å; F9-F16 HydrophobicContact CE1-CB 4.08Å; F9-F16 HydrophobicContact CE2-CB 3.58Å; F9-F16 HydrophobicContact CE2-CG 4.35Å; F9-F16 HydrophobicContact CZ-CB 3.56Å; F9-F16 PolarHBondContact N-O 3.08Å; F9-F16 PolarHBondContact O-N 2.66Å; F9-I307 HydrophobicContact CE2-CD1 3.85Å; F9-I307 HydrophobicContact CZ-CD1 3.94Å; F9-Y315 HydrophobicContact CD2-CD1 4.11Å; F9-Y315 HydrophobicContact CD2-CD2 4.09Å; F9-Y315 HydrophobicContact CD2-CE1 4.01Å; F9-Y315 HydrophobicContact CD2-CE2 4.01Å; F9-Y315 HydrophobicContact CD2-CG 4.14Å; F9-Y315 AromaticContact CD2-CZ 3.97Å; F9-Y315 AromaticContact CE2-CD1 3.72Å; F9-Y315 HydrophobicContact CE2-CD1 3.72Å; F9-Y315 AromaticContact CE2-CE1 3.74Å; F9-Y315 HydrophobicContact CE2-CE1 3.74Å; F9-Y315 HydrophobicContact CE2-CG 4.11Å; F9-Y315 HydrophobicContact CG-CE2 4.41Å; F9-Y315 HydrophobicContact CZ-CD1 4.41Å; F9-Y315 HydrophobicContact CZ-CE1 4.13Å; F9-L343 HydrophobicContact CE1-CD1 4.43Å; F9-L343 HydrophobicContact CZ-CD1 3.78Å
10A91.3Very high86.3Confident51 Ų5158.5 Ų58.542%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-95.2141.1-179.900000110.8I14 Y15A10-I14 WeakPolarHBondContact CA-O 3.36Å; A10-Y15 HydrophobicContact CB-CD1 4.12Å; A10-Y15 HydrophobicContact CB-CE1 3.94Å
11I91.1Very high86.7Confident6 Ų656.4 Ų56.43%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-126.3105.2167.2-54.6177.6000105.9F9 D13 I14 F16 I307 D313 Y315F9-I11 HydrophobicContact CD2-CD1 4.38Å; F9-I11 HydrophobicContact CD2-CG1 4.16Å; F9-I11 HydrophobicContact CE2-CD1 3.97Å; F9-I11 HydrophobicContact CE2-CG1 4.25Å; I11-D13 PolarHBondContact O-N 2.86Å; I11-I14 PolarHBondContact N-O 3.07Å; I11-I14 PolarHBondContact O-N 3.49Å; I11-F16 HydrophobicContact CB-CD2 4.02Å; I11-F16 HydrophobicContact CB-CE2 3.84Å; I11-F16 HydrophobicContact CD1-CD2 3.76Å; I11-F16 HydrophobicContact CD1-CE2 3.95Å; I11-F16 HydrophobicContact CD1-CG 4.48Å; I11-F16 HydrophobicContact CG1-CD2 3.83Å; I11-F16 HydrophobicContact CG1-CE2 4.11Å; I11-I307 HydrophobicContact CD1-CB 3.58Å; I11-I307 HydrophobicContact CD1-CD1 4.05Å; I11-I307 HydrophobicContact CD1-CG1 4.42Å; I11-I307 HydrophobicContact CD1-CG2 3.43Å; I11-I307 VanDerWaalsContact CD1-CG2 3.43Å; I11-D313 HydrophobicContact CG2-CB 3.54Å; I11-Y315 VanDerWaalsContact CD1-CB 3.43Å; I11-Y315 HydrophobicContact CD1-CG 4.15Å; I11-Y315 HydrophobicContact CG1-CG 4.35Å
12G85.8Confident89.1Confident35 Ų3548.8 Ų48.836%0.36127%0.268SS..THydrogen-bonded Turntrans60-131.1-163.800000110.8I14 D313G12-I14 VanDerWaalsContact C-N 3.33Å; G12-D313 WeakPolarHBondContact CA-OD2 3.36Å; G12-D313 PolarHBondContact N-OD2 2.93Å
13D86.4Confident90.7Very high122 Ų12251 Ų5165%0.65228%0.277SS*.THydrogen-bonded Turntrans-86.5-0.5179.8-66.9-39.9000114.4I11I11-D13 PolarHBondContact O-N 2.86Å
14I90.9Very high91.6Very high14 Ų1446.6 Ų46.67%0.07225%0.25CS..EExtended strand (participates in β ladder)trans-105.6127.5-173.6-56.5174.8000109.8A10 I11 G12 F16 R345A10-I14 WeakPolarHBondContact CA-O 3.36Å; I11-I14 PolarHBondContact N-O 3.07Å; I11-I14 PolarHBondContact O-N 3.49Å; G12-I14 VanDerWaalsContact C-N 3.33Å; I14-F16 HydrophobicContact CB-CE2 3.85Å; I14-F16 HydrophobicContact CB-CZ 4.27Å; I14-F16 HydrophobicContact CG2-CD2 4.23Å; I14-F16 HydrophobicContact CG2-CE1 4.34Å; I14-F16 HydrophobicContact CG2-CE2 3.56Å; I14-F16 HydrophobicContact CG2-CZ 3.64Å; I14-F16 WeakPolarHBondContact O-CD2 3.42Å; I14-R345 HydrophobicContact CG2-CG 3.75Å
15Y93.5Very high92Very high39 Ų3949.5 Ų49.515%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-86.6136173.1-71.8-94.1000111.6W8 A10 V346 E351 R355W8-Y15 HydrophobicContact CB-CD1 4.23Å; A10-Y15 HydrophobicContact CB-CD1 4.12Å; A10-Y15 HydrophobicContact CB-CE1 3.94Å; Y15-V346 PolarHBondContact O-N 3.48Å; Y15-E351 HydrophobicContact CD2-CG 4.17Å; Y15-R355 HydrophobicContact CE2-CG 3.75Å
16F95.1Very high92.4Very high0 Ų050.4 Ų50.40%027%0.268CS..EExtended strand (participates in β ladder)trans-120.1156.9174-65.4-86.8000109.9W8 F9 I11 I14 L292 T293 A296 Q344 R345W8-F16 WeakPolarHBondContact CA-O 3.41Å; F9-F16 HydrophobicContact CD2-CB 4.11Å; F9-F16 HydrophobicContact CE1-CB 4.08Å; F9-F16 HydrophobicContact CE2-CB 3.58Å; F9-F16 HydrophobicContact CE2-CG 4.35Å; F9-F16 HydrophobicContact CZ-CB 3.56Å; F9-F16 PolarHBondContact N-O 3.08Å; F9-F16 PolarHBondContact O-N 2.66Å; I11-F16 HydrophobicContact CB-CD2 4.02Å; I11-F16 HydrophobicContact CB-CE2 3.84Å; I11-F16 HydrophobicContact CD1-CD2 3.76Å; I11-F16 HydrophobicContact CD1-CE2 3.95Å; I11-F16 HydrophobicContact CD1-CG 4.48Å; I11-F16 HydrophobicContact CG1-CD2 3.83Å; I11-F16 HydrophobicContact CG1-CE2 4.11Å; I14-F16 HydrophobicContact CB-CE2 3.85Å; I14-F16 HydrophobicContact CB-CZ 4.27Å; I14-F16 HydrophobicContact CG2-CD2 4.23Å; I14-F16 HydrophobicContact CG2-CE1 4.34Å; I14-F16 HydrophobicContact CG2-CE2 3.56Å; I14-F16 HydrophobicContact CG2-CZ 3.64Å; I14-F16 WeakPolarHBondContact O-CD2 3.42Å; F16-L292 HydrophobicContact CD1-CD2 3.5Å; F16-L292 HydrophobicContact CD1-CG 4.35Å; F16-L292 HydrophobicContact CE1-CD2 3.35Å; F16-L292 HydrophobicContact CE1-CG 3.98Å; F16-L292 HydrophobicContact CZ-CD2 4.33Å; F16-T293 HydrophobicContact CE1-CG2 4.26Å; F16-A296 HydrophobicContact CE1-CB 4.46Å; F16-A296 HydrophobicContact CZ-CB 3.99Å; F16-Q344 WeakPolarHBondContact CA-O 3.39Å; F16-R345 HydrophobicContact CD1-CB 4.11Å; F16-R345 HydrophobicContact CE1-CB 3.94Å
17R94.3Very high92.4Very high13 Ų1346.1 Ų46.15%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-139.3155174.765.6178.9-177.6179.4-3110.1W8 L19 Q344 V346 H405W8-R17 HydrophobicContact CG-CB 4.43Å; R17-L19 HydrophobicContact CG-CD2 4.42Å; R17-L19 HydrophobicContact CG-CG 4.34Å; R17-Q344 PolarHBondContact N-O 2.82Å; R17-Q344 PolarHBondContact O-N 3.15Å; R17-V346 HydrophobicContact CB-CG2 4.04Å; R17-V346 HydrophobicContact CG-CG2 4.14Å; R17-H405 PolarHBondContact NH1-O 2.97Å; R17-H405 PolarHBondContact NH2-O 2.98Å
18K94.3Very high92.1Very high67 Ų6746 Ų4629%0.29126%0.259SS..EExtended strand (participates in β ladder)trans-117.6110.3174-163.9-173.5-161.4-151.40108.6Y319 E341K18-Y319 WeakPolarHBondContact CE-OH 3.34Å; K18-Y319 PolarHBondContact NZ-OH 3.42Å; K18-Y319 VanDerWaalsContact NZ-OH 3.07Å; K18-E341 VanDerWaalsContact CE-OE1 3.3Å; K18-E341 WeakPolarHBondContact CE-OE1 3.48Å; K18-E341 WeakPolarHBondContact CE-OE2 3.2Å; K18-E341 HydrophobicContact CG-CB 4.29Å; K18-E341 IonicContact NZ-OE1 2.82Å; K18-E341 PolarHBondContact NZ-OE1 3.38Å; K18-E341 IonicContact NZ-OE2 3.45Å; K18-E341 PolarHBondContact NZ-OE2 3.41Å
19L94Very high91.4Very high29 Ų2947.2 Ų47.215%0.15228%0.284CS..EExtended strand (participates in β ladder)trans-93.3121.7-179.3-60.9174.7000109.2R17 L21 E341 L342 T407R17-L19 HydrophobicContact CG-CD2 4.42Å; R17-L19 HydrophobicContact CG-CG 4.34Å; L19-L21 HydrophobicContact CB-CD2 4.38Å; L19-E341 CarbonylContact O-C 3.55Å; L19-E341 WeakPolarHBondContact O-CA 3.44Å; L19-E341 WeakPolarHBondContact O-CB 3.35Å; L19-L342 HydrophobicContact CB-CB 4.34Å; L19-L342 HydrophobicContact CD1-CD2 4.37Å; L19-L342 PolarHBondContact N-O 2.96Å; L19-L342 PolarHBondContact O-N 2.9Å; L19-T407 HydrophobicContact CD1-CG2 4.31Å
20H94.6Very high91.2Very high86 Ų8647.8 Ų47.840%0.39829%0.286SS..EExtended strand (participates in β ladder)trans-74.2126.6169.1-178.291000109.6Y22 D23H20-Y22 PolarHBondContact CE1-O 3.43Å; H20-D23 IonicContact CE1-OD1 3.61Å; H20-D23 PolarHBondContact CE1-OD1 3.09Å; H20-D23 VanDerWaalsContact CE1-OD1 3.23Å; H20-D23 PolarHBondContact NE2-N 2.78Å; H20-D23 IonicContact NE2-OD1 3.73Å; H20-D23 PolarHBondContact NE2-OD1 3Å
21L95.5Very high91Very high14 Ų1446.8 Ų46.87%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-104.5-48.7-179.5-53.5-177.8000112L19 H340 L342 V408 A486L19-L21 HydrophobicContact CB-CD2 4.38Å; L21-H340 WeakPolarHBondContact CA-O 3.38Å; L21-H340 VanDerWaalsContact CB-O 3.27Å; L21-H340 WeakPolarHBondContact CB-O 3.41Å; L21-H340 PolarHBondContact N-O 3.14Å; L21-L342 HydrophobicContact CD1-CB 4.05Å; L21-L342 HydrophobicContact CD2-CB 4.34Å; L21-L342 HydrophobicContact CG-CB 4.29Å; L21-V408 HydrophobicContact CD2-CG2 4.11Å; L21-A486 HydrophobicContact CB-CB 4.37Å; L21-A486 HydrophobicContact CD1-CB 4.18Å; L21-A486 HydrophobicContact CD2-CB 4.22Å
22Y96.1Very high91Very high3 Ų346.7 Ų46.71%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-146.7144.1-177.4-54.9-69.8000112.5H20 S65 S339 H340 A479 P481 G484 I485 A486H20-Y22 PolarHBondContact CE1-O 3.43Å; Y22-S65 VanDerWaalsContact CE2-OG 3.24Å; Y22-S65 WeakPolarHBondContact CE2-OG 3.37Å; Y22-S339 CarbonylContact O-C 3.28Å; Y22-S339 WeakPolarHBondContact O-CA 3.46Å; Y22-H340 HydrophobicContact CD2-CB 4.23Å; Y22-H340 AromaticContact CD2-ND1 3.81Å; Y22-H340 PolarHBondContact N-O 3.39Å; Y22-H340 VanDerWaalsContact N-O 3.14Å; Y22-H340 PolarHBondContact O-N 3.4Å; Y22-A479 WeakPolarHBondContact CE1-O 3.46Å; Y22-A479 PolarHBondContact OH-O 3.28Å; Y22-P481 HydrophobicContact CD1-CB 4.24Å; Y22-P481 HydrophobicContact CD1-CG 4.08Å; Y22-P481 HydrophobicContact CE1-CB 4.45Å; Y22-P481 HydrophobicContact CE1-CG 4.36Å; Y22-G484 VanDerWaalsContact OH-C 3.26Å; Y22-G484 VanDerWaalsContact OH-CA 3.28Å; Y22-G484 WeakPolarHBondContact OH-CA 3.31Å; Y22-I485 PolarHBondContact OH-N 3.49Å; Y22-I485 VanDerWaalsContact OH-N 3.16Å; Y22-A486 HydrophobicContact CE2-CB 3.9Å; Y22-A486 VanDerWaalsContact OH-CB 3.25Å; Y22-A486 WeakPolarHBondContact OH-CB 3.35Å; Y22-A486 PolarHBondContact OH-N 3.15Å; Y22-A486 VanDerWaalsContact OH-N 3.12Å
23D95.4Very high91Very high128 Ų12848.6 Ų48.668%0.68428%0.283SS*.EExtended strand (participates in β ladder)trans-76.8123.5159.5-65-48.6000109.3H20H20-D23 IonicContact CE1-OD1 3.61Å; H20-D23 PolarHBondContact CE1-OD1 3.09Å; H20-D23 VanDerWaalsContact CE1-OD1 3.23Å; H20-D23 PolarHBondContact NE2-N 2.78Å; H20-D23 IonicContact NE2-OD1 3.73Å; H20-D23 PolarHBondContact NE2-OD1 3Å
24M94.9Very high91.1Very high11 Ų1148.9 Ų48.95%0.05428%0.281CS..  trans-87.1130.2-177-63.4-63.7-6600110.3W26 I46 L335 P337 T338 H340M24-W26 HydrophobicContact CE-CD2 3.86Å; M24-W26 HydrophobicContact CE-CE3 3.79Å; M24-W26 HydrophobicContact CE-CH2 3.14Å; M24-W26 HydrophobicContact CE-CZ2 3.21Å; M24-W26 HydrophobicContact CE-CZ3 3.44Å; M24-W26 VanDerWaalsContact CE-CZ3 3.44Å; M24-W26 PolarHBondContact O-N 2.72Å; M24-I46 HydrophobicContact CE-CD1 4.44Å; M24-L335 HydrophobicContact CE-CD1 3.63Å; M24-L335 HydrophobicContact CG-CD1 4.29Å; M24-L335 HydrophobicContact SD-CD1 4.04Å; M24-P337 WeakPolarHBondContact CB-O 3.39Å; M24-T338 PolarHBondContact N-O 3.2Å; M24-H340 HydrophobicContact CG-CB 4.17Å; M24-H340 HydrophobicContact SD-CB 3.8Å
25P94.1Very high91.1Very high91 Ų9149.7 Ų49.759%0.59128%0.284SS*.THydrogen-bonded Turntrans-80.95.7-173.934.3-37.3000113.6S66 G67P25-S66 WeakPolarHBondContact CD-O 3.25Å; P25-G67 WeakPolarHBondContact CG-O 3.48Å
26W93.8Very high91.1Very high39 Ų3951.5 Ų51.515%0.14829%0.293CS..THydrogen-bonded Turntrans-76-30.9-175.2-53.5-28.2000112.2M24 F30 I32 I46 M48 Y63 G67 L335M24-W26 HydrophobicContact CE-CD2 3.86Å; M24-W26 HydrophobicContact CE-CE3 3.79Å; M24-W26 HydrophobicContact CE-CH2 3.14Å; M24-W26 HydrophobicContact CE-CZ2 3.21Å; M24-W26 HydrophobicContact CE-CZ3 3.44Å; M24-W26 VanDerWaalsContact CE-CZ3 3.44Å; M24-W26 PolarHBondContact O-N 2.72Å; W26-F30 HydrophobicContact CB-CB 3.95Å; W26-F30 HydrophobicContact CB-CD1 4.05Å; W26-F30 HydrophobicContact CB-CD2 4.22Å; W26-F30 HydrophobicContact CB-CG 3.82Å; W26-F30 HydrophobicContact CD2-CD1 4.33Å; W26-F30 HydrophobicContact CD2-CE1 4.22Å; W26-F30 HydrophobicContact CE3-CD1 4.03Å; W26-F30 AromaticContact CE3-CE1 3.96Å; W26-F30 HydrophobicContact CE3-CE1 3.96Å; W26-F30 HydrophobicContact CG-CD1 4.38Å; W26-F30 HydrophobicContact CG-CG 4.47Å; W26-I32 HydrophobicContact CE3-CD1 4.43Å; W26-I32 HydrophobicContact CZ3-CD1 4.07Å; W26-I32 HydrophobicContact CZ3-CG1 4.42Å; W26-I46 HydrophobicContact CH2-CD1 4.18Å; W26-M48 HydrophobicContact CE3-CE 4.26Å; W26-M48 HydrophobicContact CH2-CE 3.31Å; W26-M48 HydrophobicContact CH2-SD 4.23Å; W26-M48 HydrophobicContact CZ2-CE 4.05Å; W26-M48 HydrophobicContact CZ2-SD 4.41Å; W26-M48 HydrophobicContact CZ3-CE 3.44Å; W26-M48 VanDerWaalsContact CZ3-CE 3.44Å; W26-Y63 HydrophobicContact CZ2-CD1 4.13Å; W26-Y63 HydrophobicContact CZ2-CD2 4.17Å; W26-Y63 AromaticContact CZ2-CG 3.94Å; W26-Y63 HydrophobicContact CZ2-CG 3.94Å; W26-Y63 AromaticContact NE1-CD1 3.58Å; W26-Y63 AromaticContact NE1-CE1 3.5Å; W26-G67 PolarHBondContact NE1-O 3.48Å; W26-G67 VanDerWaalsContact NE1-O 3.08Å; W26-L335 HydrophobicContact CH2-CD1 4.01Å; W26-L335 HydrophobicContact CH2-CD2 3.77Å; W26-L335 HydrophobicContact CH2-CG 4.16Å; W26-L335 HydrophobicContact CZ3-CD1 3.96Å; W26-L335 HydrophobicContact CZ3-CD2 3.8Å; W26-L335 HydrophobicContact CZ3-CG 3.85Å
27G85.3Confident91Very high29 Ų2953 Ų5330%0.29930%0.302SS..  trans80.6164.8173.300000113.9G29 F30 P337G27-G29 PolarHBondContact O-N 3.28Å; G27-F30 PolarHBondContact O-N 2.78Å; G27-P337 PolarHBondContact N-O 2.88Å; G27-P337 VanDerWaalsContact N-O 3.11Å; G27-P337 WeakPolarHBondContact O-CB 3.36Å
28V80.7Confident91Very high113 Ų11353.4 Ų53.469%0.68531%0.307SS*.THydrogen-bonded Turntrans-61.2132.5179.9-178.40000110T338V28-T338 HydrophobicContact CG2-CG2 3.81Å
29G78.8Confident91.1Very high65 Ų6551.2 Ų51.267%0.6730%0.298SS*.THydrogen-bonded Turntrans96.3-9.5-179.300000115.5G27 S31G27-G29 PolarHBondContact O-N 3.28Å; G29-S31 PolarHBondContact O-N 3.46Å
30F88.7Confident91.1Very high48 Ų4849.9 Ų49.921%0.21129%0.291CS..  trans-68.6117.5165.4-179.9-87.9000108.8W26 G27 I32 F35 M48 P337W26-F30 HydrophobicContact CB-CB 3.95Å; W26-F30 HydrophobicContact CB-CD1 4.05Å; W26-F30 HydrophobicContact CB-CD2 4.22Å; W26-F30 HydrophobicContact CB-CG 3.82Å; W26-F30 HydrophobicContact CD2-CD1 4.33Å; W26-F30 HydrophobicContact CD2-CE1 4.22Å; W26-F30 HydrophobicContact CE3-CD1 4.03Å; W26-F30 AromaticContact CE3-CE1 3.96Å; W26-F30 HydrophobicContact CE3-CE1 3.96Å; W26-F30 HydrophobicContact CG-CD1 4.38Å; W26-F30 HydrophobicContact CG-CG 4.47Å; G27-F30 PolarHBondContact O-N 2.78Å; F30-I32 HydrophobicContact CD1-CG1 3.97Å; F30-I32 HydrophobicContact CE1-CG1 3.97Å; F30-F35 HydrophobicContact CE1-CD2 4.38Å; F30-F35 HydrophobicContact CE1-CE2 4.04Å; F30-F35 AromaticContact CE2-CE2 3.96Å; F30-F35 HydrophobicContact CE2-CE2 3.96Å; F30-F35 HydrophobicContact CE2-CZ 4.09Å; F30-F35 HydrophobicContact CZ-CD2 4.14Å; F30-F35 AromaticContact CZ-CE2 3.5Å; F30-F35 HydrophobicContact CZ-CE2 3.5Å; F30-F35 VanDerWaalsContact CZ-CE2 3.5Å; F30-F35 AromaticContact CZ-CZ 3.88Å; F30-F35 HydrophobicContact CZ-CZ 3.88Å; F30-M48 HydrophobicContact CE1-CE 4.11Å; F30-M48 HydrophobicContact CE1-SD 3.95Å; F30-M48 HydrophobicContact CZ-SD 3.82Å; F30-P337 HydrophobicContact CB-CB 4.14Å; F30-P337 WeakPolarHBondContact O-CG 3.3Å
31S88Confident90.9Very high31 Ų3149.2 Ų49.222%0.21729%0.288CS..  trans-96.1105.4-176-178.10000111G29 S33 Q34 F35 D322G29-S31 PolarHBondContact O-N 3.46Å; S31-S33 PolarHBondContact O-N 3.16Å; S31-S33 PolarHBondContact OG-OG 3.48Å; S31-S33 VanDerWaalsContact OG-OG 3.07Å; S31-Q34 PolarHBondContact O-N 3.19Å; S31-F35 WeakPolarHBondContact O-CD2 3.18Å; S31-D322 PolarHBondContact OG-OD2 3.35Å
32I90.5Very high90.8Very high4 Ų449 Ų492%0.02129%0.286CS..G310 helixtrans-63.5-32.9179-63175.1000110.8W26 F30 Q34 F35 M48 D322 C324 L335 P337W26-I32 HydrophobicContact CE3-CD1 4.43Å; W26-I32 HydrophobicContact CZ3-CD1 4.07Å; W26-I32 HydrophobicContact CZ3-CG1 4.42Å; F30-I32 HydrophobicContact CD1-CG1 3.97Å; F30-I32 HydrophobicContact CE1-CG1 3.97Å; I32-Q34 PolarHBondContact O-N 3.12Å; I32-Q34 VanDerWaalsContact O-N 3.15Å; I32-F35 PolarHBondContact O-N 2.99Å; I32-M48 HydrophobicContact CG1-CE 4.28Å; I32-M48 HydrophobicContact CG2-CE 4.18Å; I32-D322 PolarHBondContact N-OD1 2.93Å; I32-D322 PolarHBondContact N-OD2 2.85Å; I32-D322 VanDerWaalsContact N-OD2 3.09Å; I32-C324 HydrophobicContact CG2-CB 3.83Å; I32-L335 HydrophobicContact CD1-CD2 4.42Å; I32-L335 HydrophobicContact CD1-CG 4.17Å; I32-P337 HydrophobicContact CD1-CG 4.24Å; I32-P337 HydrophobicContact CG1-CG 4.29Å
33S86.9Confident90.4Very high74 Ų7448.9 Ų48.952%0.51729%0.286SS..G310 helixtrans-66.6-13.3-177.661.30000114.8S31 F35 D322S31-S33 PolarHBondContact O-N 3.16Å; S31-S33 PolarHBondContact OG-OG 3.48Å; S31-S33 VanDerWaalsContact OG-OG 3.07Å; S33-F35 VanDerWaalsContact C-N 3.26Å; S33-D322 WeakPolarHBondContact CB-OD2 3.33Å; S33-D322 PolarHBondContact N-OD2 3.44Å; S33-D322 PolarHBondContact OG-OD2 3.02Å
34Q88.6Confident90Very high129 Ų12942.8 Ų42.860%0.60325%0.253SS*.G310 helixtrans-73.8-19.1170.6-63.8-177.24.400112.8S31 I32 L50S31-Q34 PolarHBondContact O-N 3.19Å; I32-Q34 PolarHBondContact O-N 3.12Å; I32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-L50 HydrophobicContact CB-CD1 4.27Å; Q34-L50 WeakPolarHBondContact O-CD1 3.49Å
35F90.9Very high90Very high30 Ų3042.9 Ų42.913%0.13225%0.253CS..SBendtrans-105.8143.5-176-58.4-94.4000111.3F30 S31 I32 S33 T37 M48 Y49 L50F30-F35 HydrophobicContact CE1-CD2 4.38Å; F30-F35 HydrophobicContact CE1-CE2 4.04Å; F30-F35 AromaticContact CE2-CE2 3.96Å; F30-F35 HydrophobicContact CE2-CE2 3.96Å; F30-F35 HydrophobicContact CE2-CZ 4.09Å; F30-F35 HydrophobicContact CZ-CD2 4.14Å; F30-F35 AromaticContact CZ-CE2 3.5Å; F30-F35 HydrophobicContact CZ-CE2 3.5Å; F30-F35 VanDerWaalsContact CZ-CE2 3.5Å; F30-F35 AromaticContact CZ-CZ 3.88Å; F30-F35 HydrophobicContact CZ-CZ 3.88Å; S31-F35 WeakPolarHBondContact O-CD2 3.18Å; I32-F35 PolarHBondContact O-N 2.99Å; S33-F35 VanDerWaalsContact C-N 3.26Å; F35-T37 PolarHBondContact O-N 3.45Å; F35-M48 HydrophobicContact CB-CB 4.08Å; F35-M48 HydrophobicContact CB-CG 4.38Å; F35-M48 HydrophobicContact CD1-CB 3.88Å; F35-M48 HydrophobicContact CG-CB 4.1Å; F35-Y49 WeakPolarHBondContact CA-O 3.48Å; F35-L50 HydrophobicContact CD1-CB 3.79Å; F35-L50 HydrophobicContact CD1-CD1 4.33Å; F35-L50 HydrophobicContact CE1-CB 3.74Å; F35-L50 HydrophobicContact CE1-CD1 4.26Å; F35-L50 HydrophobicContact CE1-CD2 4.35Å; F35-L50 HydrophobicContact CE1-CG 4.34Å
36K91.8Very high90.2Very high78 Ų7838.5 Ų38.534%0.33923%0.225SC..EExtended strand (participates in β ladder)trans-72.6107.7155.8-65.9-179.6-176.8147.60107.1Y49 D51 G80K36-Y49 HydrophobicContact CB-CD1 4.24Å; K36-Y49 HydrophobicContact CD-CD1 4.04Å; K36-Y49 HydrophobicContact CD-CE1 4.37Å; K36-Y49 HydrophobicContact CG-CD1 4.42Å; K36-Y49 PolarHBondContact N-O 3.19Å; K36-Y49 PolarHBondContact O-N 3.35Å; K36-D51 VanDerWaalsContact CE-OD2 3.28Å; K36-D51 WeakPolarHBondContact CE-OD2 3.45Å; K36-D51 IonicContact NZ-OD1 2.86Å; K36-D51 IonicContact NZ-OD2 2.74Å; K36-D51 PolarHBondContact NZ-OD2 2.9Å; K36-G80 PolarHBondContact NZ-O 3.26Å
37T94.2Very high90.3Very high32 Ų3236.7 Ų36.720%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-104138.7-175.6-58.20000110.4F35 I39 I46 A47 M48 L335F35-T37 PolarHBondContact O-N 3.45Å; T37-I39 HydrophobicContact CG2-CG1 4.45Å; T37-I46 HydrophobicContact CG2-CG2 3.99Å; T37-A47 CarbonylContact C-O 3.49Å; T37-A47 WeakPolarHBondContact CA-O 3.37Å; T37-M48 HydrophobicContact CG2-CE 3.98Å; T37-M48 HydrophobicContact CG2-CG 4.11Å; T37-L335 HydrophobicContact CG2-CD2 4.39Å
38S94.8Very high90.7Very high21 Ų2135.3 Ų35.315%0.14720%0.204CC..EExtended strand (participates in β ladder)trans-137.9127.2173.6-166.70000111I46 A47 L83 G84 W85S38-I46 CarbonylContact O-C 3.5Å; S38-I46 WeakPolarHBondContact O-CA 3.47Å; S38-A47 PolarHBondContact N-O 3.31Å; S38-A47 PolarHBondContact O-N 3.06Å; S38-L83 WeakPolarHBondContact CB-O 3.38Å; S38-L83 PolarHBondContact OG-O 2.72Å; S38-L83 VanDerWaalsContact OG-O 3.08Å; S38-G84 WeakPolarHBondContact OG-CA 3.19Å; S38-W85 PolarHBondContact O-NE1 3.24Å
39I94.9Very high91.4Very high20 Ų2030 Ų3010%0.10317%0.171CC..EExtended strand (participates in β ladder)trans-107.8124.3-177.5-53.8179.5000108.1T37 I46 A326 L335T37-I39 HydrophobicContact CG2-CG1 4.45Å; I39-I46 HydrophobicContact CG1-CG1 4.36Å; I39-I46 HydrophobicContact CG1-CG2 4.36Å; I39-I46 HydrophobicContact CG2-CG1 4.33Å; I39-A326 HydrophobicContact CB-CB 3.68Å; I39-A326 HydrophobicContact CD1-CB 3.82Å; I39-A326 HydrophobicContact CG1-CB 4.13Å; I39-A326 HydrophobicContact CG2-CB 4.17Å; I39-L335 HydrophobicContact CD1-CB 4.04Å; I39-L335 HydrophobicContact CD1-CD2 3.9Å; I39-L335 HydrophobicContact CG1-CD2 4.49Å
40C94.2Very high92Very high2 Ų229 Ų291%0.01415%0.151CC..  trans-70.9134.2176-176.40000110.5G44 Y45 W85C40-G44 PolarHBondContact O-N 3.11Å; C40-G44 VanDerWaalsContact O-N 3.16Å; C40-Y45 VanDerWaalsContact CB-O 3.22Å; C40-Y45 WeakPolarHBondContact CB-O 3.34Å; C40-Y45 PolarHBondContact N-O 2.79Å; C40-W85 HydrophobicContact CB-CB 3.62Å; C40-W85 HydrophobicContact CB-CD2 3.84Å; C40-W85 HydrophobicContact CB-CE3 4.49Å; C40-W85 HydrophobicContact CB-CG 3.43Å; C40-W85 VanDerWaalsContact CB-CG 3.43Å; C40-W85 VanDerWaalsContact N-CD1 3.34Å
41Q91.3Very high91.7Very high71 Ų7129.8 Ų29.833%0.33216%0.157SC..THydrogen-bonded Turntrans-59.6157.4177.1-67.1-175.4-41.700112.4E328 R503Q41-E328 WeakPolarHBondContact CA-OE1 3.33Å; Q41-R503 PolarHBondContact O-NH1 2.92Å; Q41-R503 PolarHBondContact O-NH2 3.05Å; Q41-R503 VanDerWaalsContact O-NH2 3.13Å
42Y91.9Very high91Very high10 Ų1030.1 Ų30.14%0.03917%0.165CC..THydrogen-bonded Turntrans59.545.3-178.7-49.8-85.7000112G44 L87 E328 I329 L487 Q491 E494 L495 R503Y42-G44 VanDerWaalsContact C-N 3.27Å; Y42-G44 PolarHBondContact O-N 2.94Å; Y42-L87 HydrophobicContact CD2-CD2 4.25Å; Y42-L87 HydrophobicContact CE2-CD2 3.78Å; Y42-E328 PolarHBondContact N-OE1 2.96Å; Y42-E328 PolarHBondContact N-OE2 3.36Å; Y42-E328 VanDerWaalsContact N-OE2 3.09Å; Y42-I329 HydrophobicContact CE1-CD1 3.97Å; Y42-I329 HydrophobicContact CE1-CG1 4.36Å; Y42-L487 WeakPolarHBondContact O-CD2 3.15Å; Y42-Q491 HydrophobicContact CD1-CB 3.79Å; Y42-Q491 HydrophobicContact CD1-CG 3.99Å; Y42-Q491 HydrophobicContact CE1-CB 4.31Å; Y42-Q491 HydrophobicContact CE1-CG 4.36Å; Y42-E494 HydrophobicContact CE1-CB 4.2Å; Y42-L495 HydrophobicContact CD1-CB 3.96Å; Y42-L495 HydrophobicContact CD2-CD1 4.08Å; Y42-L495 HydrophobicContact CE1-CB 4.26Å; Y42-L495 HydrophobicContact CG-CB 4.3Å; Y42-L495 HydrophobicContact CG-CD1 4.11Å; Y42-R503 PolarHBondContact O-NH1 3.48Å
43S87.9Confident90.1Very high0 Ų037.4 Ų37.40%020%0.199CC..THydrogen-bonded Turntrans55.739.1179-167.80000113.7S65 A486S43-S65 WeakPolarHBondContact OG-CB 3.5Å; S43-S65 PolarHBondContact OG-OG 3.12Å; S43-A486 WeakPolarHBondContact CB-O 3.32Å; S43-A486 PolarHBondContact OG-N 3.28Å
44G88.6Confident88.9Confident0 Ų039.4 Ų39.40%022%0.22CC..  trans-75.6-156.3174.600000112.6C40 Y42 S65 E89C40-G44 PolarHBondContact O-N 3.11Å; C40-G44 VanDerWaalsContact O-N 3.16Å; Y42-G44 VanDerWaalsContact C-N 3.27Å; Y42-G44 PolarHBondContact O-N 2.94Å; G44-S65 WeakPolarHBondContact O-CB 3.44Å; G44-E89 VanDerWaalsContact CA-OE1 3.25Å; G44-E89 WeakPolarHBondContact CA-OE1 3.22Å
45Y95Very high87.9Confident13 Ų1337.6 Ų37.65%0.05124%0.236CC..  trans-76162.3178.1-67.3-81.7000113.3C40 I62 Y63 T64 V70 W85 E89 H105 R507C40-Y45 VanDerWaalsContact CB-O 3.22Å; C40-Y45 WeakPolarHBondContact CB-O 3.34Å; C40-Y45 PolarHBondContact N-O 2.79Å; Y45-I62 HydrophobicContact CD1-CG2 4.08Å; Y45-I62 HydrophobicContact CG-CG2 4.22Å; Y45-Y63 CarbonylContact C-O 3.58Å; Y45-Y63 WeakPolarHBondContact CA-O 3.29Å; Y45-Y63 WeakPolarHBondContact CB-O 3.47Å; Y45-Y63 WeakPolarHBondContact CD1-O 3.47Å; Y45-T64 HydrophobicContact CE1-CG2 4.13Å; Y45-V70 HydrophobicContact CD1-CG2 3.99Å; Y45-V70 HydrophobicContact CE1-CG2 3.67Å; Y45-W85 VanDerWaalsContact CB-CH2 3.48Å; Y45-W85 HydrophobicContact CG-CH2 4.31Å; Y45-W85 PolarHBondContact O-NE1 3.04Å; Y45-E89 HydrophobicContact CD2-CB 4.29Å; Y45-E89 VanDerWaalsContact CE2-OE2 3.3Å; Y45-E89 WeakPolarHBondContact CE2-OE2 3.37Å; Y45-H105 HydrophobicContact CD2-CB 3.78Å; Y45-H105 HydrophobicContact CE2-CB 3.47Å; Y45-H105 VanDerWaalsContact CE2-CB 3.47Å; Y45-H105 AromaticContact CE2-CG 3.96Å; Y45-H105 AromaticContact CZ-CD2 3.88Å; Y45-H105 PolarHBondContact OH-CD2 3.28Å; Y45-R507 HydrophobicContact CE2-CG 4.15Å; Y45-R507 WeakPolarHBondContact OH-CD 3.42Å; Y45-R507 WeakPolarHBondContact OH-CG 3.41Å; Y45-R507 PolarHBondContact OH-NE 3.43Å
46I96.5Very high87.2Confident0 Ų038.8 Ų38.80%025%0.252CS..EExtended strand (participates in β ladder)trans-112.4123.9173.8-56.6169.1000107.3M24 W26 T37 S38 I39 M48 I62 Y63 L335M24-I46 HydrophobicContact CE-CD1 4.44Å; W26-I46 HydrophobicContact CH2-CD1 4.18Å; T37-I46 HydrophobicContact CG2-CG2 3.99Å; S38-I46 CarbonylContact O-C 3.5Å; S38-I46 WeakPolarHBondContact O-CA 3.47Å; I39-I46 HydrophobicContact CG1-CG1 4.36Å; I39-I46 HydrophobicContact CG1-CG2 4.36Å; I39-I46 HydrophobicContact CG2-CG1 4.33Å; I46-M48 HydrophobicContact CG2-CE 4.27Å; I46-M48 HydrophobicContact CG2-CG 4.29Å; I46-I62 CarbonylContact O-C 3.23Å; I46-I62 WeakPolarHBondContact O-CA 3.18Å; I46-Y63 PolarHBondContact N-O 3.22Å; I46-Y63 PolarHBondContact O-N 3.41Å; I46-L335 HydrophobicContact CD1-CD1 3.92Å; I46-L335 HydrophobicContact CD1-CD2 4.06Å; I46-L335 HydrophobicContact CG2-CD2 4.23Å
47A96.6Very high86.9Confident0 Ų042.3 Ų42.30%027%0.267CS..EExtended strand (participates in β ladder)trans-100.8134.4171.500000109.2T37 S38 Q61 L83 W85 L91T37-A47 CarbonylContact C-O 3.49Å; T37-A47 WeakPolarHBondContact CA-O 3.37Å; S38-A47 PolarHBondContact N-O 3.31Å; S38-A47 PolarHBondContact O-N 3.06Å; A47-Q61 CarbonylContact C-O 3.52Å; A47-Q61 WeakPolarHBondContact CA-O 3.43Å; A47-L83 HydrophobicContact CB-CD1 3.94Å; A47-W85 HydrophobicContact CB-CZ2 3.63Å; A47-L91 HydrophobicContact CB-CD1 3.69Å; A47-L91 HydrophobicContact CB-CD2 3.88Å; A47-L91 HydrophobicContact CB-CG 4.47Å
48M94.9Very high86.7Confident0 Ų042.3 Ų42.30%027%0.267CS..EExtended strand (participates in β ladder)trans-127.9125.9173.5-71.1-177.5165.500109W26 F30 I32 F35 T37 I46 Q61 Y63 L335W26-M48 HydrophobicContact CE3-CE 4.26Å; W26-M48 HydrophobicContact CH2-CE 3.31Å; W26-M48 HydrophobicContact CH2-SD 4.23Å; W26-M48 HydrophobicContact CZ2-CE 4.05Å; W26-M48 HydrophobicContact CZ2-SD 4.41Å; W26-M48 HydrophobicContact CZ3-CE 3.44Å; W26-M48 VanDerWaalsContact CZ3-CE 3.44Å; F30-M48 HydrophobicContact CE1-CE 4.11Å; F30-M48 HydrophobicContact CE1-SD 3.95Å; F30-M48 HydrophobicContact CZ-SD 3.82Å; I32-M48 HydrophobicContact CG1-CE 4.28Å; I32-M48 HydrophobicContact CG2-CE 4.18Å; F35-M48 HydrophobicContact CB-CB 4.08Å; F35-M48 HydrophobicContact CB-CG 4.38Å; F35-M48 HydrophobicContact CD1-CB 3.88Å; F35-M48 HydrophobicContact CG-CB 4.1Å; T37-M48 HydrophobicContact CG2-CE 3.98Å; T37-M48 HydrophobicContact CG2-CG 4.11Å; I46-M48 HydrophobicContact CG2-CE 4.27Å; I46-M48 HydrophobicContact CG2-CG 4.29Å; M48-Q61 HydrophobicContact CB-CB 4.5Å; M48-Q61 PolarHBondContact N-O 2.86Å; M48-Q61 PolarHBondContact O-N 2.79Å; M48-Y63 HydrophobicContact CB-CE2 4.27Å; M48-Y63 HydrophobicContact CG-CD2 4.46Å; M48-Y63 HydrophobicContact CG-CE2 4.29Å; M48-Y63 HydrophobicContact SD-CD2 4.24Å; M48-Y63 HydrophobicContact SD-CE2 3.83Å; M48-L335 HydrophobicContact CE-CD2 4.17Å
49Y93.6Very high86.6Confident2 Ų243.4 Ų43.41%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-122120.7178.8168-95.8000110.7F35 K36 D51 P58 I59 L60 W75 L83F35-Y49 WeakPolarHBondContact CA-O 3.48Å; K36-Y49 HydrophobicContact CB-CD1 4.24Å; K36-Y49 HydrophobicContact CD-CD1 4.04Å; K36-Y49 HydrophobicContact CD-CE1 4.37Å; K36-Y49 HydrophobicContact CG-CD1 4.42Å; K36-Y49 PolarHBondContact N-O 3.19Å; K36-Y49 PolarHBondContact O-N 3.35Å; Y49-D51 HydrophobicContact CE1-CB 4.46Å; Y49-D51 WeakPolarHBondContact CE1-OD1 3.39Å; Y49-D51 VanDerWaalsContact CZ-OD1 3.3Å; Y49-D51 PolarHBondContact OH-OD1 3.01Å; Y49-P58 HydrophobicContact CE2-CB 3.96Å; Y49-I59 WeakPolarHBondContact CA-O 3.27Å; Y49-L60 HydrophobicContact CD2-CB 4.46Å; Y49-L60 HydrophobicContact CD2-CD1 4.5Å; Y49-W75 HydrophobicContact CE2-CB 3.95Å; Y49-W75 AromaticContact CE2-CD1 3.83Å; Y49-W75 HydrophobicContact CE2-CD2 4.49Å; Y49-W75 AromaticContact CE2-CG 3.82Å; Y49-W75 HydrophobicContact CE2-CG 3.82Å; Y49-L83 VanDerWaalsContact CB-CD1 3.5Å
50L91.2Very high86.6Confident45 Ų4542.5 Ų42.524%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-96.5115.8176.1-173.663.7000108.5Q34 F35 P58 I59Q34-L50 HydrophobicContact CB-CD1 4.27Å; Q34-L50 WeakPolarHBondContact O-CD1 3.49Å; F35-L50 HydrophobicContact CD1-CB 3.79Å; F35-L50 HydrophobicContact CD1-CD1 4.33Å; F35-L50 HydrophobicContact CE1-CB 3.74Å; F35-L50 HydrophobicContact CE1-CD1 4.26Å; F35-L50 HydrophobicContact CE1-CD2 4.35Å; F35-L50 HydrophobicContact CE1-CG 4.34Å; L50-P58 WeakPolarHBondContact O-CA 3.33Å; L50-P58 WeakPolarHBondContact O-CB 3.31Å; L50-I59 HydrophobicContact CB-CB 4.48Å; L50-I59 PolarHBondContact N-O 3.14Å; L50-I59 PolarHBondContact O-N 3.5Å
51D83.2Confident86.7Confident64 Ų6443.5 Ų43.534%0.34227%0.271SS..  trans-63.2141.9172.8-88.7-46.5000110.3K36 Y49 Q53K36-D51 VanDerWaalsContact CE-OD2 3.28Å; K36-D51 WeakPolarHBondContact CE-OD2 3.45Å; K36-D51 IonicContact NZ-OD1 2.86Å; K36-D51 IonicContact NZ-OD2 2.74Å; K36-D51 PolarHBondContact NZ-OD2 2.9Å; Y49-D51 HydrophobicContact CE1-CB 4.46Å; Y49-D51 WeakPolarHBondContact CE1-OD1 3.39Å; Y49-D51 VanDerWaalsContact CZ-OD1 3.3Å; Y49-D51 PolarHBondContact OH-OD1 3.01Å; D51-Q53 PolarHBondContact O-N 3.37Å
52G72.5Confident86.9Confident38 Ų3840.2 Ų40.239%0.39226%0.256SS..  trans-69.3112.7177.200000110.8A56G52-A56 CarbonylContact C-O 3.54Å; G52-A56 WeakPolarHBondContact CA-O 3.5Å
53Q72.1Confident87.1Confident156 Ų15640.4 Ų40.473%0.72926%0.257SS*.  trans-74.7167.3166.2-63.6-170.2-1.900110.3D51 G55 A56D51-Q53 PolarHBondContact O-N 3.37Å; Q53-G55 PolarHBondContact O-N 3.37Å; Q53-A56 PolarHBondContact O-N 3.26Å
54A63Low87.5Confident116 Ų11641 Ų4196%0.95926%0.26SS*.THydrogen-bonded Turntrans-54.8105.6177.500000110.9
55G66.2Low87.8Confident91 Ų9141.1 Ų41.194%0.93826%0.261SS*.THydrogen-bonded Turntrans102.9-13.1-176.800000116.2Q53Q53-G55 PolarHBondContact O-N 3.37Å
56A77Confident87.8Confident56 Ų5641 Ų4146%0.46326%0.262SS..  trans-108.4133.717800000111.2G52 Q53G52-A56 CarbonylContact C-O 3.54Å; G52-A56 WeakPolarHBondContact CA-O 3.5Å; Q53-A56 PolarHBondContact O-N 3.26Å
57K85.1Confident87.7Confident152 Ų15241 Ų4166%0.66126%0.262SS*.  trans-75.9143.8174.5-59.3-175.5-176.7176.80109.4I59 V74K57-I59 WeakPolarHBondContact O-CG1 3.34Å; K57-V74 HydrophobicContact CB-CG1 3.7Å; K57-V74 HydrophobicContact CD-CG1 3.86Å; K57-V74 HydrophobicContact CG-CG1 4.39Å
58P90.4Very high87.6Confident31 Ų3147.3 Ų47.320%0.20129%0.289CS..  trans-64.6140.3175.826.8-33.4000110.6Y49 L50 V74 W75Y49-P58 HydrophobicContact CE2-CB 3.96Å; L50-P58 WeakPolarHBondContact O-CA 3.33Å; L50-P58 WeakPolarHBondContact O-CB 3.31Å; P58-V74 WeakPolarHBondContact O-CA 2.87Å; P58-W75 HydrophobicContact CB-CB 4.08Å; P58-W75 HydrophobicContact CG-CB 4.03Å; P58-W75 WeakPolarHBondContact CG-O 3.38Å; P58-W75 PolarHBondContact O-N 3.27Å
59I93Very high87.6Confident44 Ų4451 Ų5123%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-123.5131-175.2-59.5176000108.8Y49 L50 K57 Q61 Q72Y49-I59 WeakPolarHBondContact CA-O 3.27Å; L50-I59 HydrophobicContact CB-CB 4.48Å; L50-I59 PolarHBondContact N-O 3.14Å; L50-I59 PolarHBondContact O-N 3.5Å; K57-I59 WeakPolarHBondContact O-CG1 3.34Å; I59-Q61 HydrophobicContact CG2-CG 3.98Å; I59-Q72 HydrophobicContact CG2-CG 3.79Å
60L94.8Very high87.7Confident2 Ų253.6 Ų53.61%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-108124.9169.5179.966000109.3Y49 Q72 S73 W75 L83 L91 L103Y49-L60 HydrophobicContact CD2-CB 4.46Å; Y49-L60 HydrophobicContact CD2-CD1 4.5Å; L60-Q72 WeakPolarHBondContact O-CA 3.37Å; L60-S73 PolarHBondContact N-O 2.84Å; L60-S73 PolarHBondContact O-N 3.33Å; L60-W75 HydrophobicContact CB-CE3 4.41Å; L60-W75 HydrophobicContact CD2-CE3 3.94Å; L60-W75 HydrophobicContact CD2-CZ3 3.96Å; L60-L83 HydrophobicContact CD1-CD1 4.06Å; L60-L83 HydrophobicContact CD1-CD2 4.45Å; L60-L91 HydrophobicContact CD1-CD2 4.17Å; L60-L91 HydrophobicContact CD2-CD2 4.02Å; L60-L103 HydrophobicContact CD2-CD1 3.46Å; L60-L103 VanDerWaalsContact CD2-CD1 3.46Å
61Q95.5Very high87.9Confident23 Ų2352.6 Ų52.611%0.10732%0.322CS..EExtended strand (participates in β ladder)trans-119.4140.1176.5-71.7167.6-37.200110.2A47 M48 I59 Y63 L69 S71 Q72A47-Q61 CarbonylContact C-O 3.52Å; A47-Q61 WeakPolarHBondContact CA-O 3.43Å; M48-Q61 HydrophobicContact CB-CB 4.5Å; M48-Q61 PolarHBondContact N-O 2.86Å; M48-Q61 PolarHBondContact O-N 2.79Å; I59-Q61 HydrophobicContact CG2-CG 3.98Å; Q61-Y63 HydrophobicContact CB-CD2 4.26Å; Q61-Y63 HydrophobicContact CB-CE2 3.47Å; Q61-Y63 VanDerWaalsContact CB-CE2 3.47Å; Q61-Y63 HydrophobicContact CG-CE2 4.39Å; Q61-Y63 PolarHBondContact NE2-OH 3.38Å; Q61-Y63 PolarHBondContact OE1-OH 2.94Å; Q61-Y63 VanDerWaalsContact OE1-OH 3.08Å; Q61-L69 HydrophobicContact CB-CD1 4.14Å; Q61-L69 HydrophobicContact CG-CD1 4.22Å; Q61-S71 WeakPolarHBondContact CA-O 3.14Å; Q61-Q72 HydrophobicContact CG-CB 4.07Å; Q61-Q72 HydrophobicContact CG-CG 3.81Å
62I96.6Very high88.5Confident1 Ų154.7 Ų54.71%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-120.8129.5173.1-59.5175.3000108Y45 I46 V70 S71 W85 L91Y45-I62 HydrophobicContact CD1-CG2 4.08Å; Y45-I62 HydrophobicContact CG-CG2 4.22Å; I46-I62 CarbonylContact O-C 3.23Å; I46-I62 WeakPolarHBondContact O-CA 3.18Å; I62-V70 HydrophobicContact CG2-CB 4.35Å; I62-V70 WeakPolarHBondContact O-CB 3.27Å; I62-V70 PolarHBondContact O-N 2.82Å; I62-S71 PolarHBondContact N-O 3.35Å; I62-S71 PolarHBondContact O-N 3.45Å; I62-W85 HydrophobicContact CD1-CH2 4.19Å; I62-W85 HydrophobicContact CG1-CH2 4.36Å; I62-W85 HydrophobicContact CG2-CH2 3.77Å; I62-W85 HydrophobicContact CG2-CZ2 4.16Å; I62-L91 HydrophobicContact CD1-CD2 3.89Å; I62-L91 HydrophobicContact CG1-CD2 4.12Å
63Y96.1Very high89.5Confident15 Ų1555.2 Ų55.26%0.05933%0.327CS..EExtended strand (participates in β ladder)trans-121.6150.2179.3-60.1-93.1000110.5W26 Y45 I46 M48 Q61 G67 K68 L69W26-Y63 HydrophobicContact CZ2-CD1 4.13Å; W26-Y63 HydrophobicContact CZ2-CD2 4.17Å; W26-Y63 AromaticContact CZ2-CG 3.94Å; W26-Y63 HydrophobicContact CZ2-CG 3.94Å; W26-Y63 AromaticContact NE1-CD1 3.58Å; W26-Y63 AromaticContact NE1-CE1 3.5Å; Y45-Y63 CarbonylContact C-O 3.58Å; Y45-Y63 WeakPolarHBondContact CA-O 3.29Å; Y45-Y63 WeakPolarHBondContact CB-O 3.47Å; Y45-Y63 WeakPolarHBondContact CD1-O 3.47Å; I46-Y63 PolarHBondContact N-O 3.22Å; I46-Y63 PolarHBondContact O-N 3.41Å; M48-Y63 HydrophobicContact CB-CE2 4.27Å; M48-Y63 HydrophobicContact CG-CD2 4.46Å; M48-Y63 HydrophobicContact CG-CE2 4.29Å; M48-Y63 HydrophobicContact SD-CD2 4.24Å; M48-Y63 HydrophobicContact SD-CE2 3.83Å; Q61-Y63 HydrophobicContact CB-CD2 4.26Å; Q61-Y63 HydrophobicContact CB-CE2 3.47Å; Q61-Y63 VanDerWaalsContact CB-CE2 3.47Å; Q61-Y63 HydrophobicContact CG-CE2 4.39Å; Q61-Y63 PolarHBondContact NE2-OH 3.38Å; Q61-Y63 PolarHBondContact OE1-OH 2.94Å; Q61-Y63 VanDerWaalsContact OE1-OH 3.08Å; Y63-G67 VanDerWaalsContact CD1-O 3.3Å; Y63-G67 WeakPolarHBondContact CD1-O 3.39Å; Y63-K68 CarbonylContact C-O 3.53Å; Y63-K68 VanDerWaalsContact CA-O 3.22Å; Y63-K68 WeakPolarHBondContact CA-O 3.28Å; Y63-L69 HydrophobicContact CD1-CB 3.98Å; Y63-L69 HydrophobicContact CD1-CD1 3.94Å; Y63-L69 HydrophobicContact CE1-CB 3.84Å; Y63-L69 HydrophobicContact CE1-CD1 3.5Å; Y63-L69 VanDerWaalsContact CE1-CD1 3.5Å; Y63-L69 HydrophobicContact CE1-CG 4.26Å; Y63-L69 HydrophobicContact CE2-CD1 4.22Å; Y63-L69 HydrophobicContact CG-CD1 4.47Å
64T95.2Very high90.5Very high13 Ų1351 Ų518%0.0831%0.312CS..  trans-61164.4163.3650000110.1Y45 S66 G67 K68 V70Y45-T64 HydrophobicContact CE1-CG2 4.13Å; T64-S66 PolarHBondContact O-N 3.14Å; T64-S66 VanDerWaalsContact O-N 3.15Å; T64-S66 PolarHBondContact OG1-N 3.34Å; T64-S66 PolarHBondContact OG1-OG 3.09Å; T64-G67 PolarHBondContact O-N 3.03Å; T64-K68 HydrophobicContact CG2-CB 4.19Å; T64-K68 PolarHBondContact N-O 3.03Å; T64-K68 WeakPolarHBondContact OG1-CB 3.39Å; T64-K68 PolarHBondContact OG1-N 3.19Å; T64-V70 HydrophobicContact CG2-CG2 3.72Å
65S94.9Very high91.8Very high1 Ų146.1 Ų46.11%0.00727%0.269CS..THydrogen-bonded Turntrans-59.9-24.9174.8730000113.4Y22 S43 G44 G67 H340 G484Y22-S65 VanDerWaalsContact CE2-OG 3.24Å; Y22-S65 WeakPolarHBondContact CE2-OG 3.37Å; S43-S65 WeakPolarHBondContact OG-CB 3.5Å; S43-S65 PolarHBondContact OG-OG 3.12Å; G44-S65 WeakPolarHBondContact O-CB 3.44Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 3.39Å; S65-H340 PolarHBondContact O-ND1 2.77Å; S65-G484 WeakPolarHBondContact CB-O 3.33Å; S65-G484 WeakPolarHBondContact OG-CA 3.47Å; S65-G484 PolarHBondContact OG-O 3.3Å
66S95.9Very high93Very high11 Ų1150.9 Ų50.98%0.07726%0.263CS..THydrogen-bonded Turntrans-83.96.1174.675.20000113.6P25 T64 K68 P481P25-S66 WeakPolarHBondContact CD-O 3.25Å; T64-S66 PolarHBondContact O-N 3.14Å; T64-S66 VanDerWaalsContact O-N 3.15Å; T64-S66 PolarHBondContact OG1-N 3.34Å; T64-S66 PolarHBondContact OG1-OG 3.09Å; S66-K68 PolarHBondContact O-N 3.06Å; S66-P481 WeakPolarHBondContact CB-O 3.44Å; S66-P481 PolarHBondContact OG-O 3.24Å
67G95.1Very high93.5Very high1 Ų150.9 Ų50.91%0.0126%0.256CS..SBendtrans82.27.7176.800000116.6P25 W26 Y63 T64 S65P25-G67 WeakPolarHBondContact CG-O 3.48Å; W26-G67 PolarHBondContact NE1-O 3.48Å; W26-G67 VanDerWaalsContact NE1-O 3.08Å; Y63-G67 VanDerWaalsContact CD1-O 3.3Å; Y63-G67 WeakPolarHBondContact CD1-O 3.39Å; T64-G67 PolarHBondContact O-N 3.03Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 3.39Å
68K94.3Very high93.6Very high131 Ų13144.8 Ų44.857%0.5723%0.233SC*.  trans-75.4128.2175.3-176.8-178.1176.2-177.50109.8Y63 T64 S66 V70Y63-K68 CarbonylContact C-O 3.53Å; Y63-K68 VanDerWaalsContact CA-O 3.22Å; Y63-K68 WeakPolarHBondContact CA-O 3.28Å; T64-K68 HydrophobicContact CG2-CB 4.19Å; T64-K68 PolarHBondContact N-O 3.03Å; T64-K68 WeakPolarHBondContact OG1-CB 3.39Å; T64-K68 PolarHBondContact OG1-N 3.19Å; S66-K68 PolarHBondContact O-N 3.06Å; K68-V70 PolarHBondContact O-N 3.32Å
69L95.1Very high93.5Very high79 Ų7946.7 Ų46.741%0.41425%0.246SC..EExtended strand (participates in β ladder)trans-64.5128.3177.5-17469.2000110.8Q61 Y63 S71 Q72Q61-L69 HydrophobicContact CB-CD1 4.14Å; Q61-L69 HydrophobicContact CG-CD1 4.22Å; Y63-L69 HydrophobicContact CD1-CB 3.98Å; Y63-L69 HydrophobicContact CD1-CD1 3.94Å; Y63-L69 HydrophobicContact CE1-CB 3.84Å; Y63-L69 HydrophobicContact CE1-CD1 3.5Å; Y63-L69 VanDerWaalsContact CE1-CD1 3.5Å; Y63-L69 HydrophobicContact CE1-CG 4.26Å; Y63-L69 HydrophobicContact CE2-CD1 4.22Å; Y63-L69 HydrophobicContact CG-CD1 4.47Å; L69-S71 WeakPolarHBondContact CD1-O 3.49Å; L69-Q72 HydrophobicContact CD1-CB 4.45Å; L69-Q72 HydrophobicContact CD2-CB 4.37Å
70V94.3Very high93.2Very high56 Ų5644.6 Ų44.634%0.33924%0.235SC..EExtended strand (participates in β ladder)trans-101.6-49.4177.5179.20000109.9Y45 I62 T64 K68Y45-V70 HydrophobicContact CD1-CG2 3.99Å; Y45-V70 HydrophobicContact CE1-CG2 3.67Å; I62-V70 HydrophobicContact CG2-CB 4.35Å; I62-V70 WeakPolarHBondContact O-CB 3.27Å; I62-V70 PolarHBondContact O-N 2.82Å; T64-V70 HydrophobicContact CG2-CG2 3.72Å; K68-V70 PolarHBondContact O-N 3.32Å
71S95.5Very high93Very high24 Ų2446.6 Ų46.617%0.16825%0.245CC..EExtended strand (participates in β ladder)trans-149151.6177.470.50000111.9Q61 I62 L69 Q106Q61-S71 WeakPolarHBondContact CA-O 3.14Å; I62-S71 PolarHBondContact N-O 3.35Å; I62-S71 PolarHBondContact O-N 3.45Å; L69-S71 WeakPolarHBondContact CD1-O 3.49Å; S71-Q106 WeakPolarHBondContact CB-O 3.38Å; S71-Q106 PolarHBondContact OG-O 3.47Å
72Q95.4Very high92.9Very high108 Ų10847.8 Ų47.851%0.50525%0.253SS..EExtended strand (participates in β ladder)trans-139.3127.6173176.4173.9-30.300107.9I59 L60 Q61 L69I59-Q72 HydrophobicContact CG2-CG 3.79Å; L60-Q72 WeakPolarHBondContact O-CA 3.37Å; Q61-Q72 HydrophobicContact CG-CB 4.07Å; Q61-Q72 HydrophobicContact CG-CG 3.81Å; L69-Q72 HydrophobicContact CD1-CB 4.45Å; L69-Q72 HydrophobicContact CD2-CB 4.37Å
73S93.6Very high92.8Very high48 Ų4848.2 Ų48.234%0.33626%0.255SS..EExtended strand (participates in β ladder)trans-139.7150.8177.264.60000111.3L60 W75L60-S73 PolarHBondContact N-O 2.84Å; L60-S73 PolarHBondContact O-N 3.33Å; S73-W75 PolarHBondContact O-N 3.32Å
74V93.2Very high92.8Very high68 Ų6847.7 Ų47.741%0.41225%0.254SS..EExtended strand (participates in β ladder)trans-74.4121.7167.91760000107.7K57 P58 K76K57-V74 HydrophobicContact CB-CG1 3.7Å; K57-V74 HydrophobicContact CD-CG1 3.86Å; K57-V74 HydrophobicContact CG-CG1 4.39Å; P58-V74 WeakPolarHBondContact O-CA 2.87Å; V74-K76 PolarHBondContact O-N 2.85Å
75W91.8Very high92.7Very high14 Ų1448.1 Ų48.15%0.05325%0.254CS..  trans-70.8121.8176.9-172.3-106.5000109.5Y49 P58 L60 S73 D77 A78 V93 Q95 T101 L103Y49-W75 HydrophobicContact CE2-CB 3.95Å; Y49-W75 AromaticContact CE2-CD1 3.83Å; Y49-W75 HydrophobicContact CE2-CD2 4.49Å; Y49-W75 AromaticContact CE2-CG 3.82Å; Y49-W75 HydrophobicContact CE2-CG 3.82Å; P58-W75 HydrophobicContact CB-CB 4.08Å; P58-W75 HydrophobicContact CG-CB 4.03Å; P58-W75 WeakPolarHBondContact CG-O 3.38Å; P58-W75 PolarHBondContact O-N 3.27Å; L60-W75 HydrophobicContact CB-CE3 4.41Å; L60-W75 HydrophobicContact CD2-CE3 3.94Å; L60-W75 HydrophobicContact CD2-CZ3 3.96Å; S73-W75 PolarHBondContact O-N 3.32Å; W75-D77 VanDerWaalsContact CD1-O 3.29Å; W75-D77 HydrophobicContact CZ2-CB 3.84Å; W75-D77 PolarHBondContact NE1-O 2.92Å; W75-A78 PolarHBondContact NE1-O 3.08Å; W75-V93 HydrophobicContact CH2-CB 3.58Å; W75-V93 HydrophobicContact CH2-CG1 3.62Å; W75-V93 HydrophobicContact CH2-CG2 3.59Å; W75-V93 HydrophobicContact CZ2-CB 3.85Å; W75-V93 HydrophobicContact CZ2-CG1 3.36Å; W75-V93 HydrophobicContact CZ2-CG2 4.26Å; W75-V93 HydrophobicContact CZ3-CB 4.46Å; W75-V93 HydrophobicContact CZ3-CG1 4.48Å; W75-V93 HydrophobicContact CZ3-CG2 3.99Å; W75-Q95 HydrophobicContact CZ2-CG 4.48Å; W75-T101 HydrophobicContact CH2-CG2 4.21Å; W75-L103 HydrophobicContact CZ3-CD1 3.99Å
76K89.4Confident92.5Very high190 Ų19048.2 Ų48.283%0.82626%0.255SS*.  trans-104.2-15.2-174.8-65179.5-176.21760113.6V74V74-K76 PolarHBondContact O-N 2.85Å
77D88.9Confident91.7Very high57 Ų5748.5 Ų48.531%0.30526%0.255SS..SBendtrans-87.3-179.5-179.9-67.5-64000111.8W75 R112W75-D77 VanDerWaalsContact CD1-O 3.29Å; W75-D77 HydrophobicContact CZ2-CB 3.84Å; W75-D77 PolarHBondContact NE1-O 2.92Å; D77-R112 IonicContact OD1-CZ 3.75Å; D77-R112 VanDerWaalsContact OD1-CZ 3.26Å; D77-R112 IonicContact OD1-NH1 2.74Å; D77-R112 PolarHBondContact OD1-NH1 2.93Å; D77-R112 IonicContact OD1-NH2 2.77Å; D77-R112 PolarHBondContact OD1-NH2 3.25Å; D77-R112 IonicContact OD2-CZ 2.75Å; D77-R112 IonicContact OD2-NH2 2.95Å; D77-R112 PolarHBondContact OD2-NH2 3.19Å
78A87.7Confident91Very high23 Ų2350.4 Ų50.419%0.1927%0.268CS..SBendtrans-56.8150.3174.600000112W75 G80 Q95 T97W75-A78 PolarHBondContact NE1-O 3.08Å; A78-G80 PolarHBondContact O-N 2.91Å; A78-Q95 HydrophobicContact CB-CB 4.25Å; A78-T97 HydrophobicContact CB-CG2 3.44Å; A78-T97 VanDerWaalsContact CB-CG2 3.44Å; A78-T97 WeakPolarHBondContact CB-OG1 2.99Å
79P87Confident90.7Very high71 Ų7144.2 Ų44.246%0.46124%0.241SC..PPolyproline II helixtrans-53.5135.4-178.1-26.834.3000113.2K96P79-K96 PolarHBondContact O-N 3.45Å; P79-K96 VanDerWaalsContact O-N 3.15Å
80G88.1Confident90.6Very high1 Ų142.8 Ų42.81%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-76125.8175.500000111.7K36 A78 I94K36-G80 PolarHBondContact NZ-O 3.26Å; A78-G80 PolarHBondContact O-N 2.91Å; G80-I94 CarbonylContact C-O 3.43Å; G80-I94 WeakPolarHBondContact CA-O 3.47Å
81I90Very high90.7Very high43 Ų4340.1 Ų40.122%0.22122%0.218CC..EExtended strand (participates in β ladder)trans-81.6-46.6172.4-68.8176.9000110.2I94 K96 I124I81-I94 PolarHBondContact N-O 3.34Å; I81-K96 VanDerWaalsContact CD1-CA 3.48Å; I81-K96 HydrophobicContact CD1-CB 3.81Å; I81-K96 HydrophobicContact CD1-CG 4.09Å; I81-K96 HydrophobicContact CG1-CB 4.09Å; I81-I124 HydrophobicContact CD1-CB 3.75Å; I81-I124 HydrophobicContact CD1-CG2 3.78Å; I81-I124 WeakPolarHBondContact CD1-O 3.1Å
82L93.3Very high90.7Very high49 Ų4939 Ų3926%0.25721%0.21SC..EExtended strand (participates in β ladder)trans-133136.1178.8-177.968.3000109.8I94 A127 L129L82-I94 HydrophobicContact CB-CB 4.41Å; L82-I94 HydrophobicContact CB-CD1 4.29Å; L82-I94 HydrophobicContact CD2-CD1 4.08Å; L82-I94 PolarHBondContact O-N 2.88Å; L82-A127 HydrophobicContact CB-CB 4.04Å; L82-A127 HydrophobicContact CD2-CB 4.07Å; L82-L129 HydrophobicContact CD2-CG 4.01Å
83L95.1Very high90.7Very high9 Ų933.9 Ų33.95%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-101.7140.3162.1-64.6-173.7000109.6S38 A47 Y49 L60 L91 L92 V93S38-L83 WeakPolarHBondContact CB-O 3.38Å; S38-L83 PolarHBondContact OG-O 2.72Å; S38-L83 VanDerWaalsContact OG-O 3.08Å; A47-L83 HydrophobicContact CB-CD1 3.94Å; Y49-L83 VanDerWaalsContact CB-CD1 3.5Å; L60-L83 HydrophobicContact CD1-CD1 4.06Å; L60-L83 HydrophobicContact CD1-CD2 4.45Å; L83-L91 HydrophobicContact CB-CD1 4.46Å; L83-L92 WeakPolarHBondContact CA-O 3.41Å; L83-V93 HydrophobicContact CD2-CB 4.06Å; L83-V93 HydrophobicContact CD2-CG1 3.78Å; L83-V93 HydrophobicContact CD2-CG2 3.63Å
84G94.6Very high90.8Very high4 Ų431.6 Ų31.64%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-167166.6162.700000114.6S38 L92 L129S38-G84 WeakPolarHBondContact OG-CA 3.19Å; G84-L92 PolarHBondContact N-O 3.31Å; G84-L92 WeakPolarHBondContact O-CA 2.92Å; G84-L92 VanDerWaalsContact O-CB 3.28Å; G84-L92 WeakPolarHBondContact O-CB 3.18Å; G84-L92 PolarHBondContact O-N 3.36Å; G84-L129 VanDerWaalsContact CA-CD1 3.42Å
85W94.4Very high90.9Very high22 Ų2228.5 Ų28.58%0.08315%0.151CC..EExtended strand (participates in β ladder)trans-105.7144.5-168.7-6594.8000110.8S38 C40 Y45 A47 I62 E89 D90 L91S38-W85 PolarHBondContact O-NE1 3.24Å; C40-W85 HydrophobicContact CB-CB 3.62Å; C40-W85 HydrophobicContact CB-CD2 3.84Å; C40-W85 HydrophobicContact CB-CE3 4.49Å; C40-W85 HydrophobicContact CB-CG 3.43Å; C40-W85 VanDerWaalsContact CB-CG 3.43Å; C40-W85 VanDerWaalsContact N-CD1 3.34Å; Y45-W85 VanDerWaalsContact CB-CH2 3.48Å; Y45-W85 HydrophobicContact CG-CH2 4.31Å; Y45-W85 PolarHBondContact O-NE1 3.04Å; A47-W85 HydrophobicContact CB-CZ2 3.63Å; I62-W85 HydrophobicContact CD1-CH2 4.19Å; I62-W85 HydrophobicContact CG1-CH2 4.36Å; I62-W85 HydrophobicContact CG2-CH2 3.77Å; I62-W85 HydrophobicContact CG2-CZ2 4.16Å; W85-E89 WeakPolarHBondContact CZ3-O 3.37Å; W85-D90 WeakPolarHBondContact CA-O 3.42Å; W85-L91 HydrophobicContact CD2-CB 4.38Å; W85-L91 HydrophobicContact CD2-CD1 4.01Å; W85-L91 HydrophobicContact CE3-CB 3.89Å; W85-L91 HydrophobicContact CE3-CD1 4.38Å; W85-L91 HydrophobicContact CG-CD1 4.49Å; W85-L91 HydrophobicContact CH2-CB 3.92Å; W85-L91 HydrophobicContact CH2-CD1 4.43Å; W85-L91 HydrophobicContact CH2-CD2 4.37Å; W85-L91 HydrophobicContact CH2-CG 4.47Å; W85-L91 HydrophobicContact CZ2-CB 4.42Å; W85-L91 HydrophobicContact CZ2-CD1 4.08Å; W85-L91 HydrophobicContact CZ2-CD2 4.44Å; W85-L91 HydrophobicContact CZ3-CB 3.64Å
86T90Very high90.9Very high4 Ų431.8 Ų31.83%0.02517%0.166CC..  trans-78163.7164.674.50000109.8S88 E89 D90 L92 T136 I153T86-S88 PolarHBondContact O-N 2.97Å; T86-S88 PolarHBondContact OG1-N 3.09Å; T86-E89 PolarHBondContact O-N 3.46Å; T86-E89 VanDerWaalsContact O-N 3.11Å; T86-E89 PolarHBondContact OG1-N 3.25Å; T86-D90 HydrophobicContact CG2-CB 3.94Å; T86-D90 PolarHBondContact N-O 3.45Å; T86-D90 WeakPolarHBondContact OG1-CB 3.33Å; T86-D90 PolarHBondContact OG1-N 3.07Å; T86-L92 HydrophobicContact CG2-CD1 4.04Å; T86-L92 HydrophobicContact CG2-CD2 3.99Å; T86-L92 HydrophobicContact CG2-CG 3.94Å; T86-T136 HydrophobicContact CG2-CG2 4.43Å; T86-I153 HydrophobicContact CG2-CD1 3.3Å
87L79.7Confident91.2Very high17 Ų1725.2 Ų25.29%0.08914%0.142CC..THydrogen-bonded Turntrans-62.1-24.5173.1-68.1175.8000112.7Y42 E89 T131 R503Y42-L87 HydrophobicContact CD2-CD2 4.25Å; Y42-L87 HydrophobicContact CE2-CD2 3.78Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-T131 HydrophobicContact CD1-CG2 4.31Å; L87-R503 PolarHBondContact O-NE 2.71Å; L87-R503 PolarHBondContact O-NH2 2.95Å
88S78.7Confident91.4Very high40 Ų4022.5 Ų22.528%0.2813%0.127SC..THydrogen-bonded Turntrans-85.67.2177.4-54.40000113.8T86 K499T86-S88 PolarHBondContact O-N 2.97Å; T86-S88 PolarHBondContact OG1-N 3.09Å; S88-K499 PolarHBondContact OG-NZ 3.3Å
89E88.8Confident91.8Very high1 Ų124.4 Ų24.41%0.00513%0.131CC..SBendtrans67.328-178.8-51.3-168.4143.800115.2G44 Y45 W85 T86 L87 R503 R507G44-E89 VanDerWaalsContact CA-OE1 3.25Å; G44-E89 WeakPolarHBondContact CA-OE1 3.22Å; Y45-E89 HydrophobicContact CD2-CB 4.29Å; Y45-E89 VanDerWaalsContact CE2-OE2 3.3Å; Y45-E89 WeakPolarHBondContact CE2-OE2 3.37Å; W85-E89 WeakPolarHBondContact CZ3-O 3.37Å; T86-E89 PolarHBondContact O-N 3.46Å; T86-E89 VanDerWaalsContact O-N 3.11Å; T86-E89 PolarHBondContact OG1-N 3.25Å; L87-E89 VanDerWaalsContact C-N 3.29Å; E89-R503 HydrophobicContact CG-CG 3.86Å; E89-R503 WeakPolarHBondContact OE1-CD 3.41Å; E89-R503 IonicContact OE1-CZ 3.79Å; E89-R503 IonicContact OE1-NE 3.98Å; E89-R503 IonicContact OE1-NH1 2.81Å; E89-R503 PolarHBondContact OE1-NH1 3.04Å; E89-R507 VanDerWaalsContact CD-NH2 3.35Å; E89-R507 IonicContact OE1-CZ 3.33Å; E89-R507 IonicContact OE1-NE 3.67Å; E89-R507 IonicContact OE1-NH2 3.81Å; E89-R507 PolarHBondContact OE1-NH2 2.88Å; E89-R507 IonicContact OE2-CZ 3.59Å; E89-R507 IonicContact OE2-NE 3.04Å; E89-R507 PolarHBondContact OE2-NE 2.88Å; E89-R507 IonicContact OE2-NH2 3.14Å; E89-R507 PolarHBondContact OE2-NH2 3.42Å
90D92.5Very high92.3Very high50 Ų5021 Ų2127%0.26711%0.109SC..PPolyproline II helixtrans-86.4136.1165.5-56.7-50000109.7W85 T86 I102 L103W85-D90 WeakPolarHBondContact CA-O 3.42Å; T86-D90 HydrophobicContact CG2-CB 3.94Å; T86-D90 PolarHBondContact N-O 3.45Å; T86-D90 WeakPolarHBondContact OG1-CB 3.33Å; T86-D90 PolarHBondContact OG1-N 3.07Å; D90-I102 HydrophobicContact CB-CG2 3.83Å; D90-L103 CarbonylContact C-O 3.5Å; D90-L103 WeakPolarHBondContact CA-O 3.5Å
91L96Very high92.7Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-89.8121.8177.8179.359.6000110.3A47 L60 I62 L83 W85 V93 I102 L103A47-L91 HydrophobicContact CB-CD1 3.69Å; A47-L91 HydrophobicContact CB-CD2 3.88Å; A47-L91 HydrophobicContact CB-CG 4.47Å; L60-L91 HydrophobicContact CD1-CD2 4.17Å; L60-L91 HydrophobicContact CD2-CD2 4.02Å; I62-L91 HydrophobicContact CD1-CD2 3.89Å; I62-L91 HydrophobicContact CG1-CD2 4.12Å; L83-L91 HydrophobicContact CB-CD1 4.46Å; W85-L91 HydrophobicContact CD2-CB 4.38Å; W85-L91 HydrophobicContact CD2-CD1 4.01Å; W85-L91 HydrophobicContact CE3-CB 3.89Å; W85-L91 HydrophobicContact CE3-CD1 4.38Å; W85-L91 HydrophobicContact CG-CD1 4.49Å; W85-L91 HydrophobicContact CH2-CB 3.92Å; W85-L91 HydrophobicContact CH2-CD1 4.43Å; W85-L91 HydrophobicContact CH2-CD2 4.37Å; W85-L91 HydrophobicContact CH2-CG 4.47Å; W85-L91 HydrophobicContact CZ2-CB 4.42Å; W85-L91 HydrophobicContact CZ2-CD1 4.08Å; W85-L91 HydrophobicContact CZ2-CD2 4.44Å; W85-L91 HydrophobicContact CZ3-CB 3.64Å; L91-V93 HydrophobicContact CG-CG2 4.37Å; L91-I102 CarbonylContact O-C 3.52Å; L91-I102 WeakPolarHBondContact O-CA 3.3Å; L91-L103 HydrophobicContact CB-CB 4.32Å; L91-L103 HydrophobicContact CD2-CD1 4.28Å; L91-L103 PolarHBondContact N-O 3.37Å; L91-L103 PolarHBondContact O-N 3.03Å
92L96.6Very high93Very high0 Ų019.4 Ų19.40%010%0.101CC..EExtended strand (participates in β ladder)trans-93.8128.4172.2-52.5177.5000109.7L83 G84 T86 T100 I102 L129 T136 I138 I153L83-L92 WeakPolarHBondContact CA-O 3.41Å; G84-L92 PolarHBondContact N-O 3.31Å; G84-L92 WeakPolarHBondContact O-CA 2.92Å; G84-L92 VanDerWaalsContact O-CB 3.28Å; G84-L92 WeakPolarHBondContact O-CB 3.18Å; G84-L92 PolarHBondContact O-N 3.36Å; T86-L92 HydrophobicContact CG2-CD1 4.04Å; T86-L92 HydrophobicContact CG2-CD2 3.99Å; T86-L92 HydrophobicContact CG2-CG 3.94Å; L92-T100 HydrophobicContact CB-CG2 4.45Å; L92-T100 HydrophobicContact CD2-CG2 4.49Å; L92-I102 HydrophobicContact CD2-CB 4.31Å; L92-I102 HydrophobicContact CD2-CD1 4Å; L92-I102 HydrophobicContact CD2-CG1 3.67Å; L92-I102 HydrophobicContact CD2-CG2 4.15Å; L92-L129 HydrophobicContact CD1-CD1 4.14Å; L92-L129 HydrophobicContact CD1-CD2 3.82Å; L92-T136 HydrophobicContact CD1-CG2 3.93Å; L92-I138 HydrophobicContact CD1-CD1 4.17Å; L92-I153 HydrophobicContact CD1-CG2 4.23Å; L92-I153 HydrophobicContact CD2-CD1 4.21Å
93V96Very high93.1Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-116.9104.6169.8-1700000108.5W75 L83 L91 T101 L103W75-V93 HydrophobicContact CH2-CB 3.58Å; W75-V93 HydrophobicContact CH2-CG1 3.62Å; W75-V93 HydrophobicContact CH2-CG2 3.59Å; W75-V93 HydrophobicContact CZ2-CB 3.85Å; W75-V93 HydrophobicContact CZ2-CG1 3.36Å; W75-V93 HydrophobicContact CZ2-CG2 4.26Å; W75-V93 HydrophobicContact CZ3-CB 4.46Å; W75-V93 HydrophobicContact CZ3-CG1 4.48Å; W75-V93 HydrophobicContact CZ3-CG2 3.99Å; L83-V93 HydrophobicContact CD2-CB 4.06Å; L83-V93 HydrophobicContact CD2-CG1 3.78Å; L83-V93 HydrophobicContact CD2-CG2 3.63Å; L91-V93 HydrophobicContact CG-CG2 4.37Å; V93-T101 PolarHBondContact N-O 3.42Å; V93-T101 PolarHBondContact O-N 3.05Å; V93-L103 HydrophobicContact CG2-CD1 4.33Å
94I95.3Very high93Very high1 Ų118.6 Ų18.61%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-87.3118.7178.6-56175.4000108.1G80 I81 L82 T100 I124 A127 L129 I138 I140G80-I94 CarbonylContact C-O 3.43Å; G80-I94 WeakPolarHBondContact CA-O 3.47Å; I81-I94 PolarHBondContact N-O 3.34Å; L82-I94 HydrophobicContact CB-CB 4.41Å; L82-I94 HydrophobicContact CB-CD1 4.29Å; L82-I94 HydrophobicContact CD2-CD1 4.08Å; L82-I94 PolarHBondContact O-N 2.88Å; I94-T100 HydrophobicContact CG1-CG2 4.12Å; I94-I124 HydrophobicContact CG2-CD1 3.8Å; I94-A127 HydrophobicContact CB-CB 4.37Å; I94-A127 HydrophobicContact CD1-CB 3.64Å; I94-A127 HydrophobicContact CG2-CB 3.92Å; I94-L129 HydrophobicContact CD1-CD2 4.13Å; I94-I138 HydrophobicContact CD1-CD1 4.32Å; I94-I138 HydrophobicContact CD1-CG2 3.51Å; I94-I140 HydrophobicContact CG2-CG2 4.3Å
95Q94.5Very high92.7Very high2 Ų219.2 Ų19.21%0.00910%0.098CC..EExtended strand (participates in β ladder)trans-99.1151.3-169.9-56173.40.700111.2W75 A78 T97 G98 F99 T101 I124W75-Q95 HydrophobicContact CZ2-CG 4.48Å; A78-Q95 HydrophobicContact CB-CB 4.25Å; Q95-T97 PolarHBondContact O-N 3.37Å; Q95-G98 PolarHBondContact O-N 3.35Å; Q95-F99 VanDerWaalsContact CB-O 3.26Å; Q95-F99 WeakPolarHBondContact CB-O 3.28Å; Q95-F99 WeakPolarHBondContact CG-O 3.37Å; Q95-F99 PolarHBondContact N-O 3.47Å; Q95-T101 PolarHBondContact NE2-OG1 3.29Å; Q95-I124 VanDerWaalsContact O-CD1 3.27Å; Q95-I124 WeakPolarHBondContact O-CD1 3.42Å
96K92.5Very high92.6Very high84 Ų8423.2 Ų23.237%0.36512%0.118SC..THydrogen-bonded Turntrans-58.4-28.6176.1-171.7167.8-174.4-107.20113.8P79 I81 G98 E123 I124P79-K96 PolarHBondContact O-N 3.45Å; P79-K96 VanDerWaalsContact O-N 3.15Å; I81-K96 VanDerWaalsContact CD1-CA 3.48Å; I81-K96 HydrophobicContact CD1-CB 3.81Å; I81-K96 HydrophobicContact CD1-CG 4.09Å; I81-K96 HydrophobicContact CG1-CB 4.09Å; K96-G98 PolarHBondContact O-N 3.01Å; K96-E123 WeakPolarHBondContact CE-OE2 3.34Å; K96-E123 HydrophobicContact CG-CB 3.97Å; K96-E123 HydrophobicContact CG-CG 4.25Å; K96-E123 IonicContact NZ-OE1 3.94Å; K96-E123 PolarHBondContact NZ-OE1 2.98Å; K96-E123 IonicContact NZ-OE2 3.71Å; K96-E123 PolarHBondContact NZ-OE2 3.24Å; K96-E123 CarbonylContact O-C 3.55Å; K96-E123 WeakPolarHBondContact O-CA 3.5Å; K96-E123 VanDerWaalsContact O-CB 3.26Å; K96-E123 WeakPolarHBondContact O-CB 3.37Å; K96-I124 PolarHBondContact O-N 3.31Å
97T94.4Very high92.7Very high52 Ų5223.8 Ų23.832%0.31913%0.125SC..THydrogen-bonded Turntrans-77.58.4-178.149.40000115A78 Q95 F99 E120A78-T97 HydrophobicContact CB-CG2 3.44Å; A78-T97 VanDerWaalsContact CB-CG2 3.44Å; A78-T97 WeakPolarHBondContact CB-OG1 2.99Å; Q95-T97 PolarHBondContact O-N 3.37Å; T97-F99 WeakPolarHBondContact O-CD2 3.14Å; T97-E120 WeakPolarHBondContact O-CA 3.47Å
98G94.7Very high93.4Very high0 Ų029.9 Ų29.90%015%0.151CC..SBendtrans90.8-2.218000000114.9Q95 K96 M115 A119Q95-G98 PolarHBondContact O-N 3.35Å; K96-G98 PolarHBondContact O-N 3.01Å; G98-M115 VanDerWaalsContact O-CB 3.26Å; G98-M115 WeakPolarHBondContact O-CB 3.49Å; G98-M115 VanDerWaalsContact O-CG 3.3Å; G98-M115 WeakPolarHBondContact O-CG 3.43Å; G98-M115 PolarHBondContact O-N 2.68Å; G98-A119 WeakPolarHBondContact CA-O 3.44Å
99F96.4Very high94.2Very high63 Ų6333.5 Ų33.528%0.27616%0.162SC..EExtended strand (participates in β ladder)trans-101.1145.6-178.9-68-81.5000112.9Q95 T97 R112 F113 E120Q95-F99 VanDerWaalsContact CB-O 3.26Å; Q95-F99 WeakPolarHBondContact CB-O 3.28Å; Q95-F99 WeakPolarHBondContact CG-O 3.37Å; Q95-F99 PolarHBondContact N-O 3.47Å; T97-F99 WeakPolarHBondContact O-CD2 3.14Å; F99-R112 HydrophobicContact CB-CG 4.05Å; F99-R112 HydrophobicContact CD1-CG 3.96Å; F99-R112 HydrophobicContact CG-CG 4.35Å; F99-F113 WeakPolarHBondContact CA-O 3.42Å; F99-E120 HydrophobicContact CE2-CG 4.24Å; F99-E120 HydrophobicContact CZ-CG 4.33Å
100T96.5Very high94.4Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-111.9121.9167.1-61.10000109.3L92 I94 R112 F113 M115 I138L92-T100 HydrophobicContact CB-CG2 4.45Å; L92-T100 HydrophobicContact CD2-CG2 4.49Å; I94-T100 HydrophobicContact CG1-CG2 4.12Å; T100-R112 WeakPolarHBondContact O-CA 3.24Å; T100-F113 HydrophobicContact CG2-CE1 3.79Å; T100-F113 HydrophobicContact CG2-CZ 3.81Å; T100-F113 PolarHBondContact N-O 3.05Å; T100-F113 PolarHBondContact O-N 3.23Å; T100-M115 PolarHBondContact OG1-SD 3.21Å; T100-M115 VanDerWaalsContact OG1-SD 3.35Å; T100-I138 HydrophobicContact CG2-CD1 3.91Å
101T96.6Very high94.6Very high0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-100.5132.1175-66.40000109.9W75 V93 Q95 L103 F109 R112W75-T101 HydrophobicContact CH2-CG2 4.21Å; V93-T101 PolarHBondContact N-O 3.42Å; V93-T101 PolarHBondContact O-N 3.05Å; Q95-T101 PolarHBondContact NE2-OG1 3.29Å; T101-L103 HydrophobicContact CG2-CD2 3.76Å; T101-L103 HydrophobicContact CG2-CG 4.41Å; T101-F109 HydrophobicContact CG2-CD2 3.75Å; T101-F109 HydrophobicContact CG2-CE2 3.9Å; T101-R112 PolarHBondContact OG1-NE 2.88Å; T101-R112 PolarHBondContact OG1-NH2 3.4Å
102I96.1Very high94.5Very high9 Ų943.6 Ų43.65%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-104.6126175.7-48.8-170.3000108.3D90 L91 L92 V110 R111 F113D90-I102 HydrophobicContact CB-CG2 3.83Å; L91-I102 CarbonylContact O-C 3.52Å; L91-I102 WeakPolarHBondContact O-CA 3.3Å; L92-I102 HydrophobicContact CD2-CB 4.31Å; L92-I102 HydrophobicContact CD2-CD1 4Å; L92-I102 HydrophobicContact CD2-CG1 3.67Å; L92-I102 HydrophobicContact CD2-CG2 4.15Å; I102-V110 HydrophobicContact CB-CB 4.43Å; I102-V110 HydrophobicContact CG2-CB 4.29Å; I102-V110 PolarHBondContact O-N 3.37Å; I102-R111 HydrophobicContact CB-CG 4.19Å; I102-R111 HydrophobicContact CD1-CG 3.84Å; I102-R111 HydrophobicContact CG1-CG 4.1Å; I102-R111 PolarHBondContact N-O 2.93Å; I102-R111 PolarHBondContact O-N 3.42Å; I102-F113 HydrophobicContact CD1-CD1 4.48Å; I102-F113 HydrophobicContact CD1-CE1 4.04Å; I102-F113 HydrophobicContact CG1-CE1 4.25Å
103L95.9Very high94.5Very high9 Ų944.6 Ų44.65%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-114.4151.9171.5-46.6176000109.2L60 W75 D90 L91 V93 T101 K108 F109L60-L103 HydrophobicContact CD2-CD1 3.46Å; L60-L103 VanDerWaalsContact CD2-CD1 3.46Å; W75-L103 HydrophobicContact CZ3-CD1 3.99Å; D90-L103 CarbonylContact C-O 3.5Å; D90-L103 WeakPolarHBondContact CA-O 3.5Å; L91-L103 HydrophobicContact CB-CB 4.32Å; L91-L103 HydrophobicContact CD2-CD1 4.28Å; L91-L103 PolarHBondContact N-O 3.37Å; L91-L103 PolarHBondContact O-N 3.03Å; V93-L103 HydrophobicContact CG2-CD1 4.33Å; T101-L103 HydrophobicContact CG2-CD2 3.76Å; T101-L103 HydrophobicContact CG2-CG 4.41Å; L103-K108 CarbonylContact C-O 3.59Å; L103-K108 WeakPolarHBondContact CA-O 3.31Å; L103-F109 HydrophobicContact CD2-CB 4.32Å
104D92.6Very high94.5Very high32 Ų3246.4 Ų46.417%0.17122%0.222CC..  trans-74175.8167.767.517000111.2Q106 G107 K108 V110D104-Q106 PolarHBondContact O-N 3.33Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.39Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.22Å; D104-Q106 PolarHBondContact OD1-N 3.43Å; D104-G107 PolarHBondContact O-N 2.89Å; D104-G107 PolarHBondContact OD1-N 3.28Å; D104-K108 PolarHBondContact N-O 3.19Å; D104-K108 WeakPolarHBondContact OD1-CB 3.38Å; D104-K108 PolarHBondContact OD1-N 3.46Å; D104-K108 WeakPolarHBondContact OD2-CB 3.27Å; D104-V110 HydrophobicContact CB-CG2 4.03Å
105H89Confident94.4Very high17 Ų1746.4 Ų46.48%0.07922%0.221CC..THydrogen-bonded Turntrans-60.5-14.3176.869.5-82.5000114.8Y45 S506Y45-H105 HydrophobicContact CD2-CB 3.78Å; Y45-H105 HydrophobicContact CE2-CB 3.47Å; Y45-H105 VanDerWaalsContact CE2-CB 3.47Å; Y45-H105 AromaticContact CE2-CG 3.96Å; Y45-H105 AromaticContact CZ-CD2 3.88Å; Y45-H105 PolarHBondContact OH-CD2 3.28Å; H105-S506 PolarHBondContact CE1-O 3.14Å; H105-S506 PolarHBondContact NE2-O 2.64Å
106Q91.5Very high94.3Very high106 Ų10647 Ų4750%0.49523%0.228SC..THydrogen-bonded Turntrans-93.5-1.5174.7-55.1-175.5-3.900111.7S71 D104 K108S71-Q106 WeakPolarHBondContact CB-O 3.38Å; S71-Q106 PolarHBondContact OG-O 3.47Å; D104-Q106 PolarHBondContact O-N 3.33Å; D104-Q106 WeakPolarHBondContact OD1-CA 3.39Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.22Å; D104-Q106 PolarHBondContact OD1-N 3.43Å; Q106-K108 VanDerWaalsContact C-N 3.33Å
107G92.6Very high94.4Very high17 Ų1747.2 Ų47.218%0.17524%0.238CC..SBendtrans79.714.4-177.600000113.5D104D104-G107 PolarHBondContact O-N 2.89Å; D104-G107 PolarHBondContact OD1-N 3.28Å
108K93.6Very high94.4Very high145 Ų14545.6 Ų45.663%0.6323%0.227SC*.  trans-83.3138.4175.6-178-174.9175.3-174.60109.8L103 D104 Q106 V110L103-K108 CarbonylContact C-O 3.59Å; L103-K108 WeakPolarHBondContact CA-O 3.31Å; D104-K108 PolarHBondContact N-O 3.19Å; D104-K108 WeakPolarHBondContact OD1-CB 3.38Å; D104-K108 PolarHBondContact OD1-N 3.46Å; D104-K108 WeakPolarHBondContact OD2-CB 3.27Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; K108-V110 PolarHBondContact O-N 3.33Å
109F95.3Very high94.3Very high115 Ų11545.7 Ų45.750%0.50423%0.227SC..EExtended strand (participates in β ladder)trans-60.1127.2177.5178.4-94.2000112.1T101 L103 R111 R112T101-F109 HydrophobicContact CG2-CD2 3.75Å; T101-F109 HydrophobicContact CG2-CE2 3.9Å; L103-F109 HydrophobicContact CD2-CB 4.32Å; F109-R111 VanDerWaalsContact CZ-C 3.45Å; F109-R112 HydrophobicContact CE2-CB 3.98Å; F109-R112 HydrophobicContact CZ-CB 4.05Å
110V94Very high94.3Very high76 Ų7646.8 Ų46.846%0.46123%0.234SC..EExtended strand (participates in β ladder)trans-101.1-59.9173.3178.60000109.9I102 D104 K108I102-V110 HydrophobicContact CB-CB 4.43Å; I102-V110 HydrophobicContact CG2-CB 4.29Å; I102-V110 PolarHBondContact O-N 3.37Å; D104-V110 HydrophobicContact CB-CG2 4.03Å; K108-V110 PolarHBondContact O-N 3.33Å
111R95.8Very high94.2Very high93 Ų9354 Ų5435%0.35127%0.267SS..EExtended strand (participates in β ladder)trans-161.8169.818069.5-174.3-138.2178.48.8112.3I102 F109 I153 E154I102-R111 HydrophobicContact CB-CG 4.19Å; I102-R111 HydrophobicContact CD1-CG 3.84Å; I102-R111 HydrophobicContact CG1-CG 4.1Å; I102-R111 PolarHBondContact N-O 2.93Å; I102-R111 PolarHBondContact O-N 3.42Å; F109-R111 VanDerWaalsContact CZ-C 3.45Å; R111-I153 PolarHBondContact NH2-O 2.83Å; R111-E154 PolarHBondContact NH1-O 3.06Å; R111-E154 PolarHBondContact NH2-O 3.35Å
112R95.3Very high94.1Very high94 Ų9460.3 Ų60.336%0.35529%0.291SS..EExtended strand (participates in β ladder)trans-135.4146.2173-178.7176.7-60173.111.2110.2D77 F99 T100 T101 F109D77-R112 IonicContact OD1-CZ 3.75Å; D77-R112 VanDerWaalsContact OD1-CZ 3.26Å; D77-R112 IonicContact OD1-NH1 2.74Å; D77-R112 PolarHBondContact OD1-NH1 2.93Å; D77-R112 IonicContact OD1-NH2 2.77Å; D77-R112 PolarHBondContact OD1-NH2 3.25Å; D77-R112 IonicContact OD2-CZ 2.75Å; D77-R112 IonicContact OD2-NH2 2.95Å; D77-R112 PolarHBondContact OD2-NH2 3.19Å; F99-R112 HydrophobicContact CB-CG 4.05Å; F99-R112 HydrophobicContact CD1-CG 3.96Å; F99-R112 HydrophobicContact CG-CG 4.35Å; T100-R112 WeakPolarHBondContact O-CA 3.24Å; T101-R112 PolarHBondContact OG1-NE 2.88Å; T101-R112 PolarHBondContact OG1-NH2 3.4Å; F109-R112 HydrophobicContact CE2-CB 3.98Å; F109-R112 HydrophobicContact CZ-CB 4.05Å
113F95.6Very high93.9Very high21 Ų2163.8 Ų63.89%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-141.2158.1171.964.5-84.9000111.3F99 T100 I102 M115 I138 I153 P156 M158F99-F113 WeakPolarHBondContact CA-O 3.42Å; T100-F113 HydrophobicContact CG2-CE1 3.79Å; T100-F113 HydrophobicContact CG2-CZ 3.81Å; T100-F113 PolarHBondContact N-O 3.05Å; T100-F113 PolarHBondContact O-N 3.23Å; I102-F113 HydrophobicContact CD1-CD1 4.48Å; I102-F113 HydrophobicContact CD1-CE1 4.04Å; I102-F113 HydrophobicContact CG1-CE1 4.25Å; F113-M115 HydrophobicContact CD2-SD 4.21Å; F113-M115 HydrophobicContact CE2-SD 3.52Å; F113-M115 VanDerWaalsContact CE2-SD 3.52Å; F113-M115 HydrophobicContact CZ-SD 4.3Å; F113-I138 HydrophobicContact CZ-CD1 3.94Å; F113-I153 HydrophobicContact CZ-CG2 4.38Å; F113-P156 HydrophobicContact CB-CG 4.32Å; F113-P156 HydrophobicContact CD2-CB 3.67Å; F113-P156 HydrophobicContact CD2-CG 3.8Å; F113-P156 HydrophobicContact CE2-CB 3.66Å; F113-P156 HydrophobicContact CE2-CG 4.21Å; F113-P156 HydrophobicContact CG-CB 4.34Å; F113-P156 HydrophobicContact CG-CG 3.99Å; F113-P156 HydrophobicContact CZ-CB 4.33Å; F113-M158 HydrophobicContact CD2-CE 4.42Å; F113-M158 HydrophobicContact CE2-CE 4Å
114S95.4Very high93.8Very high39 Ų3963.4 Ų63.427%0.27331%0.305SS..EExtended strand (participates in β ladder)trans-86.8144177169.20000111.3G116 E120S114-G116 VanDerWaalsContact C-N 3.27Å; S114-G116 PolarHBondContact OG-N 3.24Å; S114-E120 WeakPolarHBondContact CB-OE1 3.45Å; S114-E120 PolarHBondContact OG-OE1 3.43Å
115M94.6Very high93.8Very high0 Ų065.8 Ų65.80%032%0.317CS..SBendtrans-887.8172.4-58.8-60-65.900113G98 T100 F113 A119 I124 I138 I140 M158G98-M115 VanDerWaalsContact O-CB 3.26Å; G98-M115 WeakPolarHBondContact O-CB 3.49Å; G98-M115 VanDerWaalsContact O-CG 3.3Å; G98-M115 WeakPolarHBondContact O-CG 3.43Å; G98-M115 PolarHBondContact O-N 2.68Å; T100-M115 PolarHBondContact OG1-SD 3.21Å; T100-M115 VanDerWaalsContact OG1-SD 3.35Å; F113-M115 HydrophobicContact CD2-SD 4.21Å; F113-M115 HydrophobicContact CE2-SD 3.52Å; F113-M115 VanDerWaalsContact CE2-SD 3.52Å; F113-M115 HydrophobicContact CZ-SD 4.3Å; M115-A119 HydrophobicContact CB-CB 4.03Å; M115-I124 HydrophobicContact CB-CD1 4.38Å; M115-I124 HydrophobicContact CG-CD1 4.09Å; M115-I138 HydrophobicContact CE-CB 4.02Å; M115-I138 HydrophobicContact CE-CG2 3.67Å; M115-I140 HydrophobicContact CB-CD1 3.48Å; M115-I140 VanDerWaalsContact CB-CD1 3.48Å; M115-I140 HydrophobicContact CB-CG1 4.41Å; M115-I140 HydrophobicContact CE-CD1 4.28Å; M115-I140 HydrophobicContact CE-CG1 4Å; M115-I140 HydrophobicContact CE-CG2 3.73Å; M115-I140 HydrophobicContact CG-CD1 4.21Å; M115-M158 HydrophobicContact CE-CE 3.89Å; M115-M158 HydrophobicContact CE-SD 3.56Å; M115-M158 VanDerWaalsContact CE-SD 3.56Å; M115-M158 WeakPolarHBondContact O-CG 3.47Å; M115-M158 HydrophobicContact SD-CE 3.86Å; M115-M158 HydrophobicContact SD-SD 4.11Å
116G92.7Very high93.9Very high14 Ų1467 Ų6714%0.14433%0.327CS..  trans113.8159.2177.100000113S114 E118 A119 E120S114-G116 VanDerWaalsContact C-N 3.27Å; S114-G116 PolarHBondContact OG-N 3.24Å; G116-E118 VanDerWaalsContact C-N 3.29Å; G116-E118 PolarHBondContact O-N 3.29Å; G116-A119 WeakPolarHBondContact O-CB 3.34Å; G116-A119 PolarHBondContact O-N 2.99Å; G116-A119 VanDerWaalsContact O-N 3.08Å; G116-E120 PolarHBondContact O-N 2.83Å
117P94.8Very high94Very high89 Ų8962.2 Ų62.258%0.57831%0.306SS*.Hα-helixtrans-61.3-36.9-172.524.1-34.2000112.6A119 E120 E121P117-A119 VanDerWaalsContact C-N 3.31Å; P117-A119 PolarHBondContact O-N 2.83Å; P117-E120 WeakPolarHBondContact O-CB 3.37Å; P117-E120 PolarHBondContact O-N 3.12Å; P117-E120 VanDerWaalsContact O-N 3.16Å; P117-E121 WeakPolarHBondContact O-CG 3.48Å; P117-E121 PolarHBondContact O-N 2.95Å
118E93.6Very high94Very high19 Ų1964.5 Ų64.59%0.08931%0.311CS..Hα-helixtrans-65.5-35.8178.4-164-169.5137.500112.4G116 E120 E121 R122 T142 G144 H146 Y148 R160G116-E118 VanDerWaalsContact C-N 3.29Å; G116-E118 PolarHBondContact O-N 3.29Å; E118-E120 VanDerWaalsContact C-N 3.27Å; E118-E120 PolarHBondContact O-N 3.09Å; E118-E121 PolarHBondContact O-N 2.93Å; E118-R122 HydrophobicContact CG-CG 4.31Å; E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 PolarHBondContact O-N 3.22Å; E118-T142 PolarHBondContact OE1-OG1 3.47Å; E118-G144 WeakPolarHBondContact OE1-CA 3.19Å; E118-H146 IonicContact OE1-CE1 2.79Å; E118-H146 IonicContact OE1-CG 3.63Å; E118-H146 IonicContact OE1-ND1 3.94Å; E118-H146 PolarHBondContact OE1-ND1 3.01Å; E118-H146 IonicContact OE2-CE1 2.65Å; E118-H146 IonicContact OE2-CG 2.97Å; E118-H146 IonicContact OE2-ND1 2.86Å; E118-H146 PolarHBondContact OE2-ND1 2.86Å; E118-Y148 HydrophobicContact CB-CE2 4.3Å; E118-Y148 PolarHBondContact OE2-OH 3.17Å; E118-Y148 VanDerWaalsContact OE2-OH 3.11Å; E118-R160 IonicContact OE2-NH1 3.83Å
119A93.3Very high94.1Very high1 Ų160 Ų601%0.00829%0.293CS..Hα-helixtrans-68.9-28.8176.900000111.8G98 M115 G116 P117 E123 I124 I140 T142G98-A119 WeakPolarHBondContact CA-O 3.44Å; M115-A119 HydrophobicContact CB-CB 4.03Å; G116-A119 WeakPolarHBondContact O-CB 3.34Å; G116-A119 PolarHBondContact O-N 2.99Å; G116-A119 VanDerWaalsContact O-N 3.08Å; P117-A119 VanDerWaalsContact C-N 3.31Å; P117-A119 PolarHBondContact O-N 2.83Å; A119-E123 CarbonylContact O-C 3.56Å; A119-E123 WeakPolarHBondContact O-CA 3.39Å; A119-E123 PolarHBondContact O-N 3.36Å; A119-I124 HydrophobicContact CB-CG1 3.99Å; A119-I140 HydrophobicContact CB-CD1 3.67Å; A119-T142 HydrophobicContact CB-CG2 4.07Å
120E95.3Very high94Very high87 Ų8755.5 Ų55.541%0.40727%0.273SS..Hα-helixtrans-75.7-45.2174.1-64.4177.8-15000111.8T97 F99 S114 G116 P117 E118T97-E120 WeakPolarHBondContact O-CA 3.47Å; F99-E120 HydrophobicContact CE2-CG 4.24Å; F99-E120 HydrophobicContact CZ-CG 4.33Å; S114-E120 WeakPolarHBondContact CB-OE1 3.45Å; S114-E120 PolarHBondContact OG-OE1 3.43Å; G116-E120 PolarHBondContact O-N 2.83Å; P117-E120 WeakPolarHBondContact O-CB 3.37Å; P117-E120 PolarHBondContact O-N 3.12Å; P117-E120 VanDerWaalsContact O-N 3.16Å; E118-E120 VanDerWaalsContact C-N 3.27Å; E118-E120 PolarHBondContact O-N 3.09Å
121E95.3Very high93.7Very high152 Ų15254.7 Ų54.771%0.7127%0.269SS*.Hα-helixtrans-73.4-37.4-177.5-71.5174.6-169.900113.4P117 E118P117-E121 WeakPolarHBondContact O-CG 3.48Å; P117-E121 PolarHBondContact O-N 2.95Å; E118-E121 PolarHBondContact O-N 2.93Å
122R93.2Very high93.3Very high132 Ų13250.9 Ų50.950%0.49826%0.255SS..Hα-helixtrans-114.15-171.7-57.2-172.1177.8-171.2-3.3113.9E118 G143E118-R122 HydrophobicContact CG-CG 4.31Å; E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 PolarHBondContact O-N 3.22Å; R122-G143 VanDerWaalsContact O-CA 3.3Å; R122-G143 WeakPolarHBondContact O-CA 3.35Å; R122-G143 PolarHBondContact O-N 3.34Å
123E93.2Very high92.7Very high81 Ų8152.1 Ų52.138%0.37927%0.269SS..  trans62.2157.1-175.9-55.2179.6129.200114K96 A119 T142 G143K96-E123 WeakPolarHBondContact CE-OE2 3.34Å; K96-E123 HydrophobicContact CG-CB 3.97Å; K96-E123 HydrophobicContact CG-CG 4.25Å; K96-E123 IonicContact NZ-OE1 3.94Å; K96-E123 PolarHBondContact NZ-OE1 2.98Å; K96-E123 IonicContact NZ-OE2 3.71Å; K96-E123 PolarHBondContact NZ-OE2 3.24Å; K96-E123 CarbonylContact O-C 3.55Å; K96-E123 WeakPolarHBondContact O-CA 3.5Å; K96-E123 VanDerWaalsContact O-CB 3.26Å; K96-E123 WeakPolarHBondContact O-CB 3.37Å; A119-E123 CarbonylContact O-C 3.56Å; A119-E123 WeakPolarHBondContact O-CA 3.39Å; A119-E123 PolarHBondContact O-N 3.36Å; E123-T142 CarbonylContact O-C 3.54Å; E123-T142 WeakPolarHBondContact O-CA 3.31Å; E123-G143 PolarHBondContact O-N 3.34Å
124I93.4Very high91.7Very high1 Ų154.6 Ų54.61%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-82.5137.3166.4-60.9169.5000108I81 I94 Q95 K96 M115 A119 C126 I140I81-I124 HydrophobicContact CD1-CB 3.75Å; I81-I124 HydrophobicContact CD1-CG2 3.78Å; I81-I124 WeakPolarHBondContact CD1-O 3.1Å; I94-I124 HydrophobicContact CG2-CD1 3.8Å; Q95-I124 VanDerWaalsContact O-CD1 3.27Å; Q95-I124 WeakPolarHBondContact O-CD1 3.42Å; K96-I124 PolarHBondContact O-N 3.31Å; M115-I124 HydrophobicContact CB-CD1 4.38Å; M115-I124 HydrophobicContact CG-CD1 4.09Å; A119-I124 HydrophobicContact CB-CG1 3.99Å; I124-C126 WeakPolarHBondContact CG2-O 3.35Å; I124-I140 HydrophobicContact CD1-CB 4.47Å; I124-I140 HydrophobicContact CD1-CD1 4.1Å; I124-I140 HydrophobicContact CD1-CG2 4.01Å; I124-I140 HydrophobicContact CG1-CB 4.44Å; I124-I140 HydrophobicContact CG1-CD1 3.94Å; I124-I140 HydrophobicContact CG1-CG2 4.49Å; I124-I140 HydrophobicContact CG2-CB 4.11Å; I124-I140 HydrophobicContact CG2-CG2 4.17Å
125I91.6Very high91.2Very high83 Ų8355.2 Ų55.243%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-97.6-45.5173.6-67.9179000110.6L141 V168I125-L141 PolarHBondContact N-O 2.91Å; I125-V168 HydrophobicContact CD1-CG1 3.23Å
126C91.5Very high91.1Very high41 Ų4155.6 Ų55.628%0.27728%0.281SS..EExtended strand (participates in β ladder)trans-145.9151.9-176.1-173.60000109.6I124 I140 L141 W174I124-C126 WeakPolarHBondContact CG2-O 3.35Å; C126-I140 CarbonylContact O-C 3.53Å; C126-I140 WeakPolarHBondContact O-CA 3.41Å; C126-L141 HydrophobicContact CB-CB 4.33Å; C126-L141 PolarHBondContact O-N 3.27Å; C126-W174 PolarHBondContact SG-NE1 3.35Å
127A94Very high91.1Very high7 Ų755 Ų556%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-138.5157.6175.500000110.3L82 I94 A139 I140L82-A127 HydrophobicContact CB-CB 4.04Å; L82-A127 HydrophobicContact CD2-CB 4.07Å; I94-A127 HydrophobicContact CB-CB 4.37Å; I94-A127 HydrophobicContact CD1-CB 3.64Å; I94-A127 HydrophobicContact CG2-CB 3.92Å; A127-A139 CarbonylContact C-O 3.55Å; A127-A139 VanDerWaalsContact CA-O 3.25Å; A127-A139 WeakPolarHBondContact CA-O 3.29Å; A127-I140 HydrophobicContact CB-CG2 3.9Å
128K93.7Very high91.2Very high64 Ų6450.7 Ų50.728%0.27825%0.247SC..EExtended strand (participates in β ladder)trans-142.4141.2171.9-74.7-166.4168-139.10110.4A139 W174 I176K128-A139 PolarHBondContact N-O 3.16Å; K128-A139 PolarHBondContact O-N 3.5Å; K128-W174 HydrophobicContact CB-CH2 3.79Å; K128-W174 HydrophobicContact CB-CZ2 4.04Å; K128-W174 HydrophobicContact CB-CZ3 4.27Å; K128-W174 HydrophobicContact CD-CD2 3.98Å; K128-W174 HydrophobicContact CD-CE3 4.11Å; K128-W174 HydrophobicContact CD-CH2 4.25Å; K128-W174 HydrophobicContact CD-CZ2 4.1Å; K128-W174 HydrophobicContact CD-CZ3 4.26Å; K128-W174 WeakPolarHBondContact CE-O 3.41Å; K128-W174 HydrophobicContact CG-CD2 4.48Å; K128-W174 HydrophobicContact CG-CH2 3.91Å; K128-W174 HydrophobicContact CG-CZ2 3.67Å; K128-W174 HydrophobicContact CG-CZ3 4.39Å; K128-W174 PolarHBondContact NZ-O 3.48Å; K128-I176 HydrophobicContact CB-CD1 3.31Å; K128-I176 HydrophobicContact CD-CD1 3.69Å; K128-I176 HydrophobicContact CG-CD1 4.09Å
129L94.3Very high91.3Very high50 Ų5049.8 Ų49.826%0.26224%0.242SC..EExtended strand (participates in β ladder)trans-95.2147.4168-61.1-177.8000109.5L82 G84 L92 I94 G137 I138L82-L129 HydrophobicContact CD2-CG 4.01Å; G84-L129 VanDerWaalsContact CA-CD1 3.42Å; L92-L129 HydrophobicContact CD1-CD1 4.14Å; L92-L129 HydrophobicContact CD1-CD2 3.82Å; I94-L129 HydrophobicContact CD1-CD2 4.13Å; L129-G137 WeakPolarHBondContact CA-O 3.29Å; L129-I138 HydrophobicContact CD2-CB 4.33Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 3.67Å; L129-I138 HydrophobicContact CD2-CG2 4.33Å
130F92.7Very high91.4Very high21 Ų2149.8 Ų49.89%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-149.1162.7173.762.5-84.3000109.5I132 G137 A139 I149 T150 I176 T178 P192F130-I132 HydrophobicContact CD2-CB 4.19Å; F130-I132 HydrophobicContact CD2-CG2 4.2Å; F130-I132 HydrophobicContact CE2-CB 4.03Å; F130-I132 HydrophobicContact CE2-CG2 3.65Å; F130-G137 PolarHBondContact N-O 3.27Å; F130-G137 VanDerWaalsContact N-O 3.14Å; F130-G137 PolarHBondContact O-N 3.26Å; F130-A139 HydrophobicContact CD1-CB 4.43Å; F130-A139 HydrophobicContact CE1-CB 4.02Å; F130-I149 HydrophobicContact CE1-CG2 3.98Å; F130-I149 HydrophobicContact CZ-CG2 3.55Å; F130-T150 WeakPolarHBondContact CZ-O 3.37Å; F130-I176 HydrophobicContact CB-CB 4.23Å; F130-I176 HydrophobicContact CB-CG2 4.34Å; F130-I176 HydrophobicContact CD1-CB 4.16Å; F130-I176 HydrophobicContact CD1-CD1 4.05Å; F130-I176 HydrophobicContact CD1-CG1 3.89Å; F130-I176 HydrophobicContact CD1-CG2 3.99Å; F130-I176 HydrophobicContact CD2-CG2 3.99Å; F130-I176 HydrophobicContact CE1-CG1 4.37Å; F130-I176 HydrophobicContact CE1-CG2 4.28Å; F130-I176 HydrophobicContact CE2-CG2 4.27Å; F130-I176 HydrophobicContact CG-CB 4.14Å; F130-I176 HydrophobicContact CG-CG1 4.38Å; F130-I176 HydrophobicContact CG-CG2 3.84Å; F130-I176 HydrophobicContact CZ-CG2 4.42Å; F130-T178 HydrophobicContact CD2-CG2 3.68Å; F130-T178 HydrophobicContact CE2-CG2 4.34Å; F130-T178 HydrophobicContact CG-CG2 4.5Å; F130-P192 HydrophobicContact CE2-CB 4.37Å
131T88.4Confident91.3Very high59 Ų5945.8 Ų45.836%0.36222%0.223SC..EExtended strand (participates in β ladder)trans-111.4126.7175.2-56.50000108.7L87 N135L87-T131 HydrophobicContact CD1-CG2 4.31Å; T131-N135 WeakPolarHBondContact CA-O 3.38Å
132I88.3Confident91.2Very high13 Ų1338.5 Ų38.57%0.06719%0.19CC..EExtended strand (participates in β ladder)trans-137.2133.5174.5-170.2168.3000108.1F130 Y134 N135 T151 T178 S191 P192F130-I132 HydrophobicContact CD2-CB 4.19Å; F130-I132 HydrophobicContact CD2-CG2 4.2Å; F130-I132 HydrophobicContact CE2-CB 4.03Å; F130-I132 HydrophobicContact CE2-CG2 3.65Å; I132-Y134 PolarHBondContact O-N 2.87Å; I132-N135 PolarHBondContact N-O 3.46Å; I132-N135 VanDerWaalsContact N-O 3.16Å; I132-N135 PolarHBondContact O-N 3.4Å; I132-T151 HydrophobicContact CG2-CG2 4.1Å; I132-T178 HydrophobicContact CB-CG2 4.07Å; I132-T178 HydrophobicContact CD1-CG2 4.4Å; I132-T178 HydrophobicContact CG1-CG2 4.4Å; I132-S191 WeakPolarHBondContact CD1-OG 3.45Å; I132-P192 HydrophobicContact CD1-CB 4.11Å; I132-P192 HydrophobicContact CD1-CG 4.27Å
133D82.1Confident91Very high121 Ų12133.5 Ų33.565%0.64718%0.179SC*.THydrogen-bonded Turntrans46.639.4-178.1-51.9-36.2000112.8N135D133-N135 PolarHBondContact O-N 3.18Å; D133-N135 VanDerWaalsContact O-N 3.1Å; D133-N135 PolarHBondContact O-ND2 2.85Å
134Y74.6Confident90.8Very high72 Ų7230.2 Ų30.228%0.28217%0.167SC..THydrogen-bonded Turntrans64.68.2-179.8-40.5-68000116.3I132 I529 L530 S533I132-Y134 PolarHBondContact O-N 2.87Å; Y134-I529 HydrophobicContact CE1-CG2 3.86Å; Y134-I529 WeakPolarHBondContact CE1-O 3.35Å; Y134-I529 WeakPolarHBondContact OH-CG2 3.39Å; Y134-I529 PolarHBondContact OH-O 3.3Å; Y134-L530 HydrophobicContact CD1-CB 4.26Å; Y134-L530 HydrophobicContact CD1-CD2 3.25Å; Y134-L530 HydrophobicContact CD1-CG 4.28Å; Y134-L530 HydrophobicContact CE1-CD2 3.66Å; Y134-L530 HydrophobicContact CG-CD2 4.34Å; Y134-S533 WeakPolarHBondContact CD2-OG 3.46Å
135N85.5Confident90.6Very high52 Ų5230.9 Ų30.928%0.27817%0.171SC..EExtended strand (participates in β ladder)trans-97.4148.6172.7-62.1-54.5000110.1T131 I132 D133 G137 T151T131-N135 WeakPolarHBondContact CA-O 3.38Å; I132-N135 PolarHBondContact N-O 3.46Å; I132-N135 VanDerWaalsContact N-O 3.16Å; I132-N135 PolarHBondContact O-N 3.4Å; D133-N135 PolarHBondContact O-N 3.18Å; D133-N135 VanDerWaalsContact O-N 3.1Å; D133-N135 PolarHBondContact O-ND2 2.85Å; N135-G137 PolarHBondContact O-N 2.87Å; N135-T151 WeakPolarHBondContact CB-O 3.2Å
136T91.3Very high90.6Very high9 Ų928 Ų286%0.05516%0.155CC..EExtended strand (participates in β ladder)trans-78.4116.9169.1-57.40000108.4T86 L92 S152 I153T86-T136 HydrophobicContact CG2-CG2 4.43Å; L92-T136 HydrophobicContact CD1-CG2 3.93Å; T136-S152 WeakPolarHBondContact O-CA 3.36Å; T136-I153 HydrophobicContact CG2-CG2 4.45Å; T136-I153 WeakPolarHBondContact O-CG2 3.47Å; T136-I153 PolarHBondContact O-N 3.24Å; T136-I153 VanDerWaalsContact O-N 3.08Å
137G93.9Very high90.7Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-99.2154.1173.300000111.9L129 F130 N135 T150L129-G137 WeakPolarHBondContact CA-O 3.29Å; F130-G137 PolarHBondContact N-O 3.27Å; F130-G137 VanDerWaalsContact N-O 3.14Å; F130-G137 PolarHBondContact O-N 3.26Å; N135-G137 PolarHBondContact O-N 2.87Å; G137-T150 CarbonylContact C-O 3.37Å; G137-T150 WeakPolarHBondContact CA-O 3.25Å
138I95.9Very high90.8Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-126.9130.4175.8-49.3-173.3000108.6L92 I94 T100 F113 M115 L129 I140 I149 T150 I153L92-I138 HydrophobicContact CD1-CD1 4.17Å; I94-I138 HydrophobicContact CD1-CD1 4.32Å; I94-I138 HydrophobicContact CD1-CG2 3.51Å; T100-I138 HydrophobicContact CG2-CD1 3.91Å; F113-I138 HydrophobicContact CZ-CD1 3.94Å; M115-I138 HydrophobicContact CE-CB 4.02Å; M115-I138 HydrophobicContact CE-CG2 3.67Å; L129-I138 HydrophobicContact CD2-CB 4.33Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 3.67Å; L129-I138 HydrophobicContact CD2-CG2 4.33Å; I138-I140 HydrophobicContact CG2-CG2 4.09Å; I138-I149 WeakPolarHBondContact O-CA 3.27Å; I138-T150 HydrophobicContact CB-CG2 3.96Å; I138-T150 HydrophobicContact CG1-CG2 4.32Å; I138-T150 PolarHBondContact N-O 2.89Å; I138-T150 PolarHBondContact O-N 3.36Å; I138-I153 HydrophobicContact CD1-CG2 3.68Å; I138-I153 HydrophobicContact CG1-CG2 3.75Å
139A95.5Very high90.9Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-115.9137.7167.200000109.4A127 K128 F130 Y148 I149 W174 I176A127-A139 CarbonylContact C-O 3.55Å; A127-A139 VanDerWaalsContact CA-O 3.25Å; A127-A139 WeakPolarHBondContact CA-O 3.29Å; K128-A139 PolarHBondContact N-O 3.16Å; K128-A139 PolarHBondContact O-N 3.5Å; F130-A139 HydrophobicContact CD1-CB 4.43Å; F130-A139 HydrophobicContact CE1-CB 4.02Å; A139-Y148 CarbonylContact C-O 3.57Å; A139-Y148 VanDerWaalsContact CA-O 3.28Å; A139-Y148 WeakPolarHBondContact CA-O 3.49Å; A139-I149 HydrophobicContact CB-CG1 4Å; A139-W174 HydrophobicContact CB-CH2 3.52Å; A139-W174 HydrophobicContact CB-CZ3 3.59Å; A139-I176 HydrophobicContact CB-CD1 4.13Å; A139-I176 HydrophobicContact CB-CG1 4Å
140I95.1Very high90.9Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-129.5148.5178.557.1152.4000110.8I94 M115 A119 I124 C126 A127 I138 T142 I147 Y148I94-I140 HydrophobicContact CG2-CG2 4.3Å; M115-I140 HydrophobicContact CB-CD1 3.48Å; M115-I140 VanDerWaalsContact CB-CD1 3.48Å; M115-I140 HydrophobicContact CB-CG1 4.41Å; M115-I140 HydrophobicContact CE-CD1 4.28Å; M115-I140 HydrophobicContact CE-CG1 4Å; M115-I140 HydrophobicContact CE-CG2 3.73Å; M115-I140 HydrophobicContact CG-CD1 4.21Å; A119-I140 HydrophobicContact CB-CD1 3.67Å; I124-I140 HydrophobicContact CD1-CB 4.47Å; I124-I140 HydrophobicContact CD1-CD1 4.1Å; I124-I140 HydrophobicContact CD1-CG2 4.01Å; I124-I140 HydrophobicContact CG1-CB 4.44Å; I124-I140 HydrophobicContact CG1-CD1 3.94Å; I124-I140 HydrophobicContact CG1-CG2 4.49Å; I124-I140 HydrophobicContact CG2-CB 4.11Å; I124-I140 HydrophobicContact CG2-CG2 4.17Å; C126-I140 CarbonylContact O-C 3.53Å; C126-I140 WeakPolarHBondContact O-CA 3.41Å; A127-I140 HydrophobicContact CB-CG2 3.9Å; I138-I140 HydrophobicContact CG2-CG2 4.09Å; I140-T142 HydrophobicContact CD1-CG2 4.18Å; I140-I147 CarbonylContact O-C 3.59Å; I140-I147 WeakPolarHBondContact O-CA 3.38Å; I140-Y148 PolarHBondContact N-O 2.99Å; I140-Y148 PolarHBondContact O-N 3.39Å
141L93.8Very high91Very high3 Ų323.9 Ų23.92%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-108.1123.4168.3175.165.1000108.7I125 C126 H146 I147 L171I125-L141 PolarHBondContact N-O 2.91Å; C126-L141 HydrophobicContact CB-CB 4.33Å; C126-L141 PolarHBondContact O-N 3.27Å; L141-H146 WeakPolarHBondContact CA-O 2.66Å; L141-I147 HydrophobicContact CB-CG1 4.37Å; L141-I147 HydrophobicContact CD1-CG1 3.89Å; L141-L171 HydrophobicContact CD1-CD1 3.6Å; L141-L171 HydrophobicContact CD2-CB 4.01Å; L141-L171 HydrophobicContact CD2-CD1 3.71Å; L141-L171 HydrophobicContact CG-CD1 4.33Å
142T93Very high91.2Very high0 Ų021.6 Ų21.60%012%0.12CC..EExtended strand (participates in β ladder)trans-88.7164179.764.50000112.3E118 A119 E123 I140 G144 N145 H146 Y148E118-T142 PolarHBondContact OE1-OG1 3.47Å; A119-T142 HydrophobicContact CB-CG2 4.07Å; E123-T142 CarbonylContact O-C 3.54Å; E123-T142 WeakPolarHBondContact O-CA 3.31Å; I140-T142 HydrophobicContact CD1-CG2 4.18Å; T142-G144 PolarHBondContact O-N 2.94Å; T142-G144 VanDerWaalsContact O-N 3.08Å; T142-G144 PolarHBondContact OG1-N 2.85Å; T142-N145 PolarHBondContact O-N 3.49Å; T142-N145 VanDerWaalsContact O-N 3.1Å; T142-H146 PolarHBondContact N-O 3.5Å; T142-H146 PolarHBondContact OG1-N 2.83Å; T142-H146 PolarHBondContact OG1-O 3.36Å; T142-Y148 HydrophobicContact CG2-CD2 3.9Å; T142-Y148 HydrophobicContact CG2-CE2 4.08Å
143G90.1Very high91.3Very high27 Ų2721.3 Ų21.328%0.27812%0.118SC..THydrogen-bonded Turntrans-59.2-13.5167.700000115.1R122 E123 V168R122-G143 VanDerWaalsContact O-CA 3.3Å; R122-G143 WeakPolarHBondContact O-CA 3.35Å; R122-G143 PolarHBondContact O-N 3.34Å; E123-G143 PolarHBondContact O-N 3.34Å; G143-V168 VanDerWaalsContact O-CG2 3.3Å; G143-V168 WeakPolarHBondContact O-CG2 3.38Å
144G89.1Confident91.7Very high12 Ų1219 Ų1912%0.12410%0.104CC..THydrogen-bonded Turntrans-86.13.8173.900000115.6E118 T142 H146E118-G144 WeakPolarHBondContact OE1-CA 3.19Å; T142-G144 PolarHBondContact O-N 2.94Å; T142-G144 VanDerWaalsContact O-N 3.08Å; T142-G144 PolarHBondContact OG1-N 2.85Å; G144-H146 PolarHBondContact O-CE1 3.21Å; G144-H146 VanDerWaalsContact O-CE1 3.28Å
145N89.1Confident92.4Very high15 Ų1520.1 Ų20.18%0.0812%0.118CC..SBendtrans68.428.2-174.5-154.136.9000114.6T142 L164 G166 V168 L171T142-N145 PolarHBondContact O-N 3.49Å; T142-N145 VanDerWaalsContact O-N 3.1Å; N145-L164 PolarHBondContact ND2-O 3.01Å; N145-G166 PolarHBondContact ND2-O 3.35Å; N145-V168 HydrophobicContact CB-CB 4.23Å; N145-V168 HydrophobicContact CB-CG2 3.6Å; N145-V168 WeakPolarHBondContact OD1-CA 3.49Å; N145-L171 WeakPolarHBondContact OD1-CD1 3.32Å
146H91.7Very high92.7Very high22 Ų2219.8 Ų19.810%0.10212%0.119CC..  trans-113.1138.6178.2-55.3127.2000110.6E118 L141 T142 G144 Y148 R160E118-H146 IonicContact OE1-CE1 2.79Å; E118-H146 IonicContact OE1-CG 3.63Å; E118-H146 IonicContact OE1-ND1 3.94Å; E118-H146 PolarHBondContact OE1-ND1 3.01Å; E118-H146 IonicContact OE2-CE1 2.65Å; E118-H146 IonicContact OE2-CG 2.97Å; E118-H146 IonicContact OE2-ND1 2.86Å; E118-H146 PolarHBondContact OE2-ND1 2.86Å; L141-H146 WeakPolarHBondContact CA-O 2.66Å; T142-H146 PolarHBondContact N-O 3.5Å; T142-H146 PolarHBondContact OG1-N 2.83Å; T142-H146 PolarHBondContact OG1-O 3.36Å; G144-H146 PolarHBondContact O-CE1 3.21Å; G144-H146 VanDerWaalsContact O-CE1 3.28Å; H146-Y148 HydrophobicContact CB-CD2 4.34Å; H146-Y148 HydrophobicContact CB-CE2 3.86Å; H146-R160 HydrophobicContact CB-CG 4.21Å; H146-R160 PolarHBondContact CD2-NH2 3.01Å; H146-R160 PolarHBondContact CE1-NH1 3.43Å; H146-R160 VanDerWaalsContact CE1-NH1 3.31Å; H146-R160 VanDerWaalsContact CG-CZ 3.48Å; H146-R160 PolarHBondContact ND1-NH1 3.06Å; H146-R160 VanDerWaalsContact NE2-CZ 3.27Å; H146-R160 PolarHBondContact NE2-NH2 3.43Å
147I93.5Very high92.8Very high2 Ų228 Ų281%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-96.8123.9171.3-68.1173.6000109.1I140 L141 I149 R160 L161 L164 W174 V194I140-I147 CarbonylContact O-C 3.59Å; I140-I147 WeakPolarHBondContact O-CA 3.38Å; L141-I147 HydrophobicContact CB-CG1 4.37Å; L141-I147 HydrophobicContact CD1-CG1 3.89Å; I147-I149 HydrophobicContact CG2-CD1 4.37Å; I147-I149 HydrophobicContact CG2-CG1 3.94Å; I147-R160 WeakPolarHBondContact O-CA 3.23Å; I147-L161 HydrophobicContact CB-CB 4.38Å; I147-L161 HydrophobicContact CB-CD1 3.83Å; I147-L161 HydrophobicContact CB-CG 4.29Å; I147-L161 HydrophobicContact CD1-CD1 4.34Å; I147-L161 HydrophobicContact CG2-CD1 3.61Å; I147-L161 HydrophobicContact CG2-CG 4.12Å; I147-L161 PolarHBondContact O-N 3.47Å; I147-L164 HydrophobicContact CB-CD1 4.46Å; I147-L164 HydrophobicContact CD1-CD1 3.6Å; I147-L164 HydrophobicContact CG1-CD1 3.72Å; I147-W174 HydrophobicContact CD1-CE3 4.28Å; I147-V194 HydrophobicContact CD1-CG1 4.01Å
148Y95.3Very high92.7Very high34 Ų3430.3 Ų30.313%0.13316%0.16CC..EExtended strand (participates in β ladder)trans-107136.2170.4-72.3-97.8000109.7E118 A139 I140 T142 H146 M158 R159 R160E118-Y148 HydrophobicContact CB-CE2 4.3Å; E118-Y148 PolarHBondContact OE2-OH 3.17Å; E118-Y148 VanDerWaalsContact OE2-OH 3.11Å; A139-Y148 CarbonylContact C-O 3.57Å; A139-Y148 VanDerWaalsContact CA-O 3.28Å; A139-Y148 WeakPolarHBondContact CA-O 3.49Å; I140-Y148 PolarHBondContact N-O 2.99Å; I140-Y148 PolarHBondContact O-N 3.39Å; T142-Y148 HydrophobicContact CG2-CD2 3.9Å; T142-Y148 HydrophobicContact CG2-CE2 4.08Å; H146-Y148 HydrophobicContact CB-CD2 4.34Å; H146-Y148 HydrophobicContact CB-CE2 3.86Å; Y148-M158 HydrophobicContact CD1-CB 4.14Å; Y148-R159 CarbonylContact C-O 3.44Å; Y148-R159 WeakPolarHBondContact CA-O 3.49Å; Y148-R160 HydrophobicContact CD1-CB 3.99Å; Y148-R160 HydrophobicContact CD1-CG 4.43Å; Y148-R160 HydrophobicContact CE1-CB 3.67Å; Y148-R160 HydrophobicContact CE1-CG 4.01Å; Y148-R160 HydrophobicContact CE2-CG 4.13Å
149I95.8Very high92.7Very high2 Ų237.2 Ų37.21%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-123.2136.5-179-57.4-176.5000109.3F130 I138 A139 I147 R159 L161 P192 V194 F207F130-I149 HydrophobicContact CE1-CG2 3.98Å; F130-I149 HydrophobicContact CZ-CG2 3.55Å; I138-I149 WeakPolarHBondContact O-CA 3.27Å; A139-I149 HydrophobicContact CB-CG1 4Å; I147-I149 HydrophobicContact CG2-CD1 4.37Å; I147-I149 HydrophobicContact CG2-CG1 3.94Å; I149-R159 PolarHBondContact N-O 3.16Å; I149-R159 PolarHBondContact O-N 2.93Å; I149-L161 HydrophobicContact CD1-CD1 3.99Å; I149-L161 HydrophobicContact CD1-CD2 3.95Å; I149-L161 HydrophobicContact CD1-CG 3.94Å; I149-L161 HydrophobicContact CG1-CG 4.43Å; I149-P192 HydrophobicContact CG2-CG 4.05Å; I149-V194 HydrophobicContact CD1-CG2 3.94Å; I149-F207 HydrophobicContact CB-CE1 4.47Å; I149-F207 HydrophobicContact CB-CZ 4.4Å; I149-F207 HydrophobicContact CD1-CZ 4.42Å
150T95.1Very high92.6Very high1 Ų142 Ų421%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-122.2136.6160.7-156.90000110.2F130 G137 I138 S152 P156 R157 M158F130-T150 WeakPolarHBondContact CZ-O 3.37Å; G137-T150 CarbonylContact C-O 3.37Å; G137-T150 WeakPolarHBondContact CA-O 3.25Å; I138-T150 HydrophobicContact CB-CG2 3.96Å; I138-T150 HydrophobicContact CG1-CG2 4.32Å; I138-T150 PolarHBondContact N-O 2.89Å; I138-T150 PolarHBondContact O-N 3.36Å; T150-S152 PolarHBondContact OG1-O 2.83Å; T150-P156 WeakPolarHBondContact OG1-CA 3.31Å; T150-R157 WeakPolarHBondContact CA-O 3.28Å; T150-R157 WeakPolarHBondContact CB-O 3.21Å; T150-R157 PolarHBondContact OG1-N 3.45Å; T150-R157 PolarHBondContact OG1-O 2.93Å; T150-M158 HydrophobicContact CG2-CE 3.59Å; T150-M158 HydrophobicContact CG2-SD 4.37Å
151T93.6Very high92.5Very high58 Ų5842.1 Ų42.136%0.35621%0.205SC..SBendtrans-90.1-13.2-177.353.80000113.2I132 N135 P192I132-T151 HydrophobicContact CG2-CG2 4.1Å; N135-T151 WeakPolarHBondContact CB-O 3.2Å; T151-P192 HydrophobicContact CG2-CG 4.04Å
152S92.5Very high92.5Very high11 Ų1143.8 Ų43.88%0.07722%0.215CC..  trans-147.1130.2177.81580000109.8T136 T150 E154 T155 P156T136-S152 WeakPolarHBondContact O-CA 3.36Å; T150-S152 PolarHBondContact OG1-O 2.83Å; S152-E154 VanDerWaalsContact C-N 3.32Å; S152-E154 PolarHBondContact OG-N 3.04Å; S152-E154 PolarHBondContact OG-OE2 2.91Å; S152-T155 CarbonylContact O-C 3.52Å; S152-T155 PolarHBondContact OG-N 3.31Å; S152-P156 VanDerWaalsContact O-CA 3.32Å; S152-P156 WeakPolarHBondContact O-CA 3.36Å
153I91.9Very high92.4Very high6 Ų650.3 Ų50.33%0.03125%0.246CC..SBendtrans-74.5-22.3173.155.6166000112.8T86 L92 R111 F113 T136 I138 P156T86-I153 HydrophobicContact CG2-CD1 3.3Å; L92-I153 HydrophobicContact CD1-CG2 4.23Å; L92-I153 HydrophobicContact CD2-CD1 4.21Å; R111-I153 PolarHBondContact NH2-O 2.83Å; F113-I153 HydrophobicContact CZ-CG2 4.38Å; T136-I153 HydrophobicContact CG2-CG2 4.45Å; T136-I153 WeakPolarHBondContact O-CG2 3.47Å; T136-I153 PolarHBondContact O-N 3.24Å; T136-I153 VanDerWaalsContact O-N 3.08Å; I138-I153 HydrophobicContact CD1-CG2 3.68Å; I138-I153 HydrophobicContact CG1-CG2 3.75Å; I153-P156 WeakPolarHBondContact O-CD 3.41Å
154E89.2Confident92.3Very high73 Ų7349.5 Ų49.534%0.34124%0.235SC..SBendtrans-67.5-47.6-179-64.272.1-15900109.7R111 S152 P156R111-E154 PolarHBondContact NH1-O 3.06Å; R111-E154 PolarHBondContact NH2-O 3.35Å; S152-E154 VanDerWaalsContact C-N 3.32Å; S152-E154 PolarHBondContact OG-N 3.04Å; S152-E154 PolarHBondContact OG-OE2 2.91Å; E154-P156 WeakPolarHBondContact O-CD 3.34Å
155T90.3Very high92.1Very high96 Ų9650.9 Ų50.959%0.58924%0.242SC*.SBendtrans-119.874.417458.10000110.6S152 R157S152-T155 CarbonylContact O-C 3.52Å; S152-T155 PolarHBondContact OG-N 3.31Å; T155-R157 PolarHBondContact O-N 3.27Å
156P90.9Very high91.5Very high44 Ų4452.2 Ų52.229%0.28626%0.259SS..  trans-66.8107-171.427.4-33000110.3F113 T150 S152 I153 E154 M158F113-P156 HydrophobicContact CB-CG 4.32Å; F113-P156 HydrophobicContact CD2-CB 3.67Å; F113-P156 HydrophobicContact CD2-CG 3.8Å; F113-P156 HydrophobicContact CE2-CB 3.66Å; F113-P156 HydrophobicContact CE2-CG 4.21Å; F113-P156 HydrophobicContact CG-CB 4.34Å; F113-P156 HydrophobicContact CG-CG 3.99Å; F113-P156 HydrophobicContact CZ-CB 4.33Å; T150-P156 WeakPolarHBondContact OG1-CA 3.31Å; S152-P156 VanDerWaalsContact O-CA 3.32Å; S152-P156 WeakPolarHBondContact O-CA 3.36Å; I153-P156 WeakPolarHBondContact O-CD 3.41Å; E154-P156 WeakPolarHBondContact O-CD 3.34Å; P156-M158 HydrophobicContact CB-CE 3.72Å
157R92.7Very high90.5Very high183 Ų18355.5 Ų55.569%0.69128%0.282SS*.  trans-112.3113.9171.2-67.4-175.6179-1720.6108.5T150 T155T150-R157 WeakPolarHBondContact CA-O 3.28Å; T150-R157 WeakPolarHBondContact CB-O 3.21Å; T150-R157 PolarHBondContact OG1-N 3.45Å; T150-R157 PolarHBondContact OG1-O 2.93Å; T155-R157 PolarHBondContact O-N 3.27Å
158M93.4Very high89.1Confident48 Ų4857.2 Ų57.224%0.23629%0.293CS..  trans-83.4122.7179.7-59.4-58.7133.900109.7F113 M115 Y148 T150 P156F113-M158 HydrophobicContact CD2-CE 4.42Å; F113-M158 HydrophobicContact CE2-CE 4Å; M115-M158 HydrophobicContact CE-CE 3.89Å; M115-M158 HydrophobicContact CE-SD 3.56Å; M115-M158 VanDerWaalsContact CE-SD 3.56Å; M115-M158 WeakPolarHBondContact O-CG 3.47Å; M115-M158 HydrophobicContact SD-CE 3.86Å; M115-M158 HydrophobicContact SD-SD 4.11Å; Y148-M158 HydrophobicContact CD1-CB 4.14Å; T150-M158 HydrophobicContact CG2-CE 3.59Å; T150-M158 HydrophobicContact CG2-SD 4.37Å; P156-M158 HydrophobicContact CB-CE 3.72Å
159R94.5Very high87.4Confident145 Ų14565.6 Ų65.655%0.54733%0.33SS..EExtended strand (participates in β ladder)trans-117.9131.6172.3-63.8-175.1-172.6179.83.5109Y148 I149 F207Y148-R159 CarbonylContact C-O 3.44Å; Y148-R159 WeakPolarHBondContact CA-O 3.49Å; I149-R159 PolarHBondContact N-O 3.16Å; I149-R159 PolarHBondContact O-N 2.93Å; R159-F207 HydrophobicContact CB-CD1 3.95Å; R159-F207 HydrophobicContact CB-CE1 3.42Å; R159-F207 VanDerWaalsContact CB-CE1 3.42Å; R159-F207 HydrophobicContact CB-CZ 4.21Å; R159-F207 HydrophobicContact CG-CE1 4.47Å
160R94.5Very high85.6Confident99 Ų9966.1 Ų66.137%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-84.5133.6177.9-166-179138.8164.4-6.7109.7E118 H146 I147 Y148 F207E118-R160 IonicContact OE2-NH1 3.83Å; H146-R160 HydrophobicContact CB-CG 4.21Å; H146-R160 PolarHBondContact CD2-NH2 3.01Å; H146-R160 PolarHBondContact CE1-NH1 3.43Å; H146-R160 VanDerWaalsContact CE1-NH1 3.31Å; H146-R160 VanDerWaalsContact CG-CZ 3.48Å; H146-R160 PolarHBondContact ND1-NH1 3.06Å; H146-R160 VanDerWaalsContact NE2-CZ 3.27Å; H146-R160 PolarHBondContact NE2-NH2 3.43Å; I147-R160 WeakPolarHBondContact O-CA 3.23Å; Y148-R160 HydrophobicContact CD1-CB 3.99Å; Y148-R160 HydrophobicContact CD1-CG 4.43Å; Y148-R160 HydrophobicContact CE1-CB 3.67Å; Y148-R160 HydrophobicContact CE1-CG 4.01Å; Y148-R160 HydrophobicContact CE2-CG 4.13Å; R160-F207 WeakPolarHBondContact O-CD1 3.43Å
161L93.3Very high84.4Confident4 Ų467 Ų672%0.02134%0.338CS..PPolyproline II helixtrans-67.9165.9167.2-73.5-177.6000111I147 I149 V194 D206 F207I147-L161 HydrophobicContact CB-CB 4.38Å; I147-L161 HydrophobicContact CB-CD1 3.83Å; I147-L161 HydrophobicContact CB-CG 4.29Å; I147-L161 HydrophobicContact CD1-CD1 4.34Å; I147-L161 HydrophobicContact CG2-CD1 3.61Å; I147-L161 HydrophobicContact CG2-CG 4.12Å; I147-L161 PolarHBondContact O-N 3.47Å; I149-L161 HydrophobicContact CD1-CD1 3.99Å; I149-L161 HydrophobicContact CD1-CD2 3.95Å; I149-L161 HydrophobicContact CD1-CG 3.94Å; I149-L161 HydrophobicContact CG1-CG 4.43Å; L161-V194 HydrophobicContact CD1-CB 3.77Å; L161-V194 HydrophobicContact CD1-CG2 3.58Å; L161-D206 VanDerWaalsContact CD2-O 3.26Å; L161-D206 WeakPolarHBondContact CD2-O 3.41Å; L161-F207 HydrophobicContact CD2-CD1 3.95Å; L161-F207 HydrophobicContact CD2-CE1 4.01Å; L161-F207 HydrophobicContact CD2-CG 4.29Å; L161-F207 HydrophobicContact CD2-CZ 4.41Å
162V93.1Very high83.2Confident37 Ų3766.6 Ų66.622%0.22434%0.338CS..SBendtrans-54.6155.5169.270.40000111.2L164 A205 D206 T209 V210V162-L164 PolarHBondContact O-N 2.9Å; V162-A205 HydrophobicContact CG1-CB 3.93Å; V162-D206 WeakPolarHBondContact CG1-O 3.45Å; V162-D206 PolarHBondContact N-O 2.65Å; V162-D206 VanDerWaalsContact N-O 3.09Å; V162-T209 WeakPolarHBondContact CG1-O 3.49Å; V162-V210 HydrophobicContact CG1-CB 3.73Å; V162-V210 HydrophobicContact CG1-CG1 4.29Å
163E90.5Very high82.9Confident138 Ų13868.7 Ų68.765%0.64535%0.346SS*.PPolyproline II helixtrans-59.5129.5179.7-170.2164.4-171.800111.9
164L88.9Confident82.9Confident10 Ų1068.8 Ų68.85%0.05235%0.346CS..PPolyproline II helixtrans-91139-173.5-54.9179.2000111.1N145 I147 V162 L171 F196 A205N145-L164 PolarHBondContact ND2-O 3.01Å; I147-L164 HydrophobicContact CB-CD1 4.46Å; I147-L164 HydrophobicContact CD1-CD1 3.6Å; I147-L164 HydrophobicContact CG1-CD1 3.72Å; V162-L164 PolarHBondContact O-N 2.9Å; L164-L171 HydrophobicContact CD1-CD1 3.96Å; L164-F196 HydrophobicContact CB-CZ 4.33Å; L164-F196 HydrophobicContact CD2-CD1 4.47Å; L164-F196 HydrophobicContact CD2-CE1 3.7Å; L164-F196 HydrophobicContact CD2-CZ 3.73Å; L164-F196 HydrophobicContact CG-CZ 4.5Å; L164-A205 HydrophobicContact CD2-CB 3.93Å
165P84.8Confident83.1Confident41 Ų4166 Ų6627%0.26633%0.334SS..SBendtrans-73.1138.2178.128.9-32.6000112.6F196 N198 Y203 V210P165-F196 HydrophobicContact CG-CE2 4.29Å; P165-F196 HydrophobicContact CG-CZ 4.24Å; P165-N198 PolarHBondContact O-ND2 3.34Å; P165-Y203 HydrophobicContact CB-CE1 4.24Å; P165-Y203 HydrophobicContact CG-CD1 3.63Å; P165-Y203 HydrophobicContact CG-CD2 4.15Å; P165-Y203 HydrophobicContact CG-CE1 3.46Å; P165-Y203 VanDerWaalsContact CG-CE1 3.46Å; P165-Y203 HydrophobicContact CG-CE2 3.98Å; P165-Y203 HydrophobicContact CG-CG 3.99Å; P165-V210 HydrophobicContact CG-CG2 4.48Å
166G77.1Confident83.3Confident43 Ų4361.9 Ų61.944%0.44331%0.308SS..SBendtrans90176.9172.300000114.8N145N145-G166 PolarHBondContact ND2-O 3.35Å
167P69.7Low83.4Confident90 Ų9059.8 Ų59.858%0.58430%0.295SS*.  trans-77.8147.9-171.827.8-32.3000113.5K169 S170P167-K169 VanDerWaalsContact C-N 3.26Å; P167-K169 PolarHBondContact O-N 3.27Å; P167-K169 VanDerWaalsContact O-N 3.08Å; P167-S170 VanDerWaalsContact CD-OG 3.28Å; P167-S170 WeakPolarHBondContact CD-OG 3.34Å; P167-S170 WeakPolarHBondContact CG-OG 3.48Å; P167-S170 WeakPolarHBondContact O-CB 3.3Å; P167-S170 PolarHBondContact O-N 2.87Å; P167-S170 PolarHBondContact O-OG 3.38Å
168V64.1Low83.5Confident39 Ų3952.5 Ų52.524%0.23627%0.271CS..G310 helixtrans-45.1-46.3-178.5-171.10000113.5I125 G143 N145 S170I125-V168 HydrophobicContact CD1-CG1 3.23Å; G143-V168 VanDerWaalsContact O-CG2 3.3Å; G143-V168 WeakPolarHBondContact O-CG2 3.38Å; N145-V168 HydrophobicContact CB-CB 4.23Å; N145-V168 HydrophobicContact CB-CG2 3.6Å; N145-V168 WeakPolarHBondContact OD1-CA 3.49Å; V168-S170 PolarHBondContact O-N 2.81Å
169K60.1Low83.4Confident210 Ų21052.5 Ų52.591%0.91327%0.273SS*.G310 helixtrans-73.5-5.6-174.9-71.7-176.1177.1179.50114.3P167P167-K169 VanDerWaalsContact C-N 3.26Å; P167-K169 PolarHBondContact O-N 3.27Å; P167-K169 VanDerWaalsContact O-N 3.08Å
170S58.4Low83.1Confident12 Ų1250 Ų508%0.08428%0.276CS..G310 helixtrans-99.3-7.3-174.766.60000114.4P167 V168 S172 N198P167-S170 VanDerWaalsContact CD-OG 3.28Å; P167-S170 WeakPolarHBondContact CD-OG 3.34Å; P167-S170 WeakPolarHBondContact CG-OG 3.48Å; P167-S170 WeakPolarHBondContact O-CB 3.3Å; P167-S170 PolarHBondContact O-N 2.87Å; P167-S170 PolarHBondContact O-OG 3.38Å; V168-S170 PolarHBondContact O-N 2.81Å; S170-S172 VanDerWaalsContact C-N 3.27Å; S170-S172 PolarHBondContact O-N 3.34Å; S170-N198 WeakPolarHBondContact CB-OD1 3.42Å; S170-N198 WeakPolarHBondContact O-CA 3.47Å; S170-N198 PolarHBondContact OG-ND2 3.22Å; S170-N198 PolarHBondContact OG-OD1 3.02Å
171L69.1Low82.8Confident21 Ų2145.9 Ų45.911%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-72.483.6173.1-72.7169.6000109.9L141 N145 L164 F196L141-L171 HydrophobicContact CD1-CD1 3.6Å; L141-L171 HydrophobicContact CD2-CB 4.01Å; L141-L171 HydrophobicContact CD2-CD1 3.71Å; L141-L171 HydrophobicContact CG-CD1 4.33Å; N145-L171 WeakPolarHBondContact OD1-CD1 3.32Å; L164-L171 HydrophobicContact CD1-CD1 3.96Å; L171-F196 HydrophobicContact CD2-CB 4.14Å; L171-F196 HydrophobicContact CD2-CD2 3.17Å; L171-F196 HydrophobicContact CD2-CE2 3.77Å; L171-F196 HydrophobicContact CD2-CG 3.91Å
172S68.1Low82.1Confident49 Ų4953 Ų5334%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-72.4-44.2-173.256.30000111.8S170 S197S170-S172 VanDerWaalsContact C-N 3.27Å; S170-S172 PolarHBondContact O-N 3.34Å; S172-S197 PolarHBondContact N-O 2.91Å; S172-S197 PolarHBondContact OG-OG 3.23Å
173H86.7Confident81.2Confident54 Ų5452.9 Ų52.925%0.2529%0.294CS..EExtended strand (participates in β ladder)trans-146.2142.8-175.9-51.9-70.2000111.3F196 S197 I226 C227 L229H173-F196 CarbonylContact O-C 3.45Å; H173-F196 WeakPolarHBondContact O-CA 3.48Å; H173-S197 PolarHBondContact N-OG 2.85Å; H173-S197 PolarHBondContact O-N 3.36Å; H173-S197 PolarHBondContact O-OG 2.87Å; H173-I226 PolarHBondContact CD2-O 3.29Å; H173-I226 PolarHBondContact NE2-O 2.98Å; H173-C227 VanDerWaalsContact CD2-C 3.45Å; H173-C227 PolarHBondContact CD2-O 3.45Å; H173-C227 PolarHBondContact CE1-O 3.25Å; H173-C227 PolarHBondContact ND1-O 2.91Å; H173-C227 VanDerWaalsContact NE2-C 3.27Å; H173-C227 PolarHBondContact NE2-O 3.12Å; H173-L229 HydrophobicContact CB-CB 3.99Å
174W91.8Very high80.1Confident9 Ų950.7 Ų50.73%0.03431%0.308CS..EExtended strand (participates in β ladder)trans-151.5161.2178.362.1-73.1000110.8C126 K128 A139 I147 I176 V194 M195 F196C126-W174 PolarHBondContact SG-NE1 3.35Å; K128-W174 HydrophobicContact CB-CH2 3.79Å; K128-W174 HydrophobicContact CB-CZ2 4.04Å; K128-W174 HydrophobicContact CB-CZ3 4.27Å; K128-W174 HydrophobicContact CD-CD2 3.98Å; K128-W174 HydrophobicContact CD-CE3 4.11Å; K128-W174 HydrophobicContact CD-CH2 4.25Å; K128-W174 HydrophobicContact CD-CZ2 4.1Å; K128-W174 HydrophobicContact CD-CZ3 4.26Å; K128-W174 WeakPolarHBondContact CE-O 3.41Å; K128-W174 HydrophobicContact CG-CD2 4.48Å; K128-W174 HydrophobicContact CG-CH2 3.91Å; K128-W174 HydrophobicContact CG-CZ2 3.67Å; K128-W174 HydrophobicContact CG-CZ3 4.39Å; K128-W174 PolarHBondContact NZ-O 3.48Å; A139-W174 HydrophobicContact CB-CH2 3.52Å; A139-W174 HydrophobicContact CB-CZ3 3.59Å; I147-W174 HydrophobicContact CD1-CE3 4.28Å; W174-I176 HydrophobicContact CE3-CD1 4.24Å; W174-I176 HydrophobicContact CE3-CG1 4.48Å; W174-I176 HydrophobicContact CH2-CD1 4.32Å; W174-I176 HydrophobicContact CZ3-CD1 3.72Å; W174-I176 HydrophobicContact CZ3-CG1 3.97Å; W174-V194 HydrophobicContact CB-CG1 4.27Å; W174-V194 HydrophobicContact CE3-CG1 3.76Å; W174-V194 HydrophobicContact CE3-CG2 4.39Å; W174-V194 HydrophobicContact CZ3-CG2 4.42Å; W174-M195 CarbonylContact C-O 3.51Å; W174-M195 WeakPolarHBondContact CA-O 3.48Å; W174-M195 WeakPolarHBondContact CB-O 3.45Å; W174-F196 HydrophobicContact CB-CB 3.56Å
175T93.3Very high79.2Confident15 Ų1554 Ų549%0.09233%0.328CS..EExtended strand (participates in β ladder)trans-148150.2175.9-166.20000110.9V194 M195 L229 I231T175-V194 WeakPolarHBondContact O-CA 3.31Å; T175-M195 HydrophobicContact CG2-CB 4.13Å; T175-M195 PolarHBondContact N-O 2.86Å; T175-M195 PolarHBondContact O-N 2.93Å; T175-L229 HydrophobicContact CG2-CD2 4.25Å; T175-L229 HydrophobicContact CG2-CG 4.44Å; T175-I231 HydrophobicContact CG2-CB 4.2Å; T175-I231 HydrophobicContact CG2-CG2 4.27Å
176I94.3Very high78.5Confident8 Ų857.6 Ų57.64%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-92.5136.5176.1-54.791.9000108.1K128 F130 A139 W174 T178 P192 V194K128-I176 HydrophobicContact CB-CD1 3.31Å; K128-I176 HydrophobicContact CD-CD1 3.69Å; K128-I176 HydrophobicContact CG-CD1 4.09Å; F130-I176 HydrophobicContact CB-CB 4.23Å; F130-I176 HydrophobicContact CB-CG2 4.34Å; F130-I176 HydrophobicContact CD1-CB 4.16Å; F130-I176 HydrophobicContact CD1-CD1 4.05Å; F130-I176 HydrophobicContact CD1-CG1 3.89Å; F130-I176 HydrophobicContact CD1-CG2 3.99Å; F130-I176 HydrophobicContact CD2-CG2 3.99Å; F130-I176 HydrophobicContact CE1-CG1 4.37Å; F130-I176 HydrophobicContact CE1-CG2 4.28Å; F130-I176 HydrophobicContact CE2-CG2 4.27Å; F130-I176 HydrophobicContact CG-CB 4.14Å; F130-I176 HydrophobicContact CG-CG1 4.38Å; F130-I176 HydrophobicContact CG-CG2 3.84Å; F130-I176 HydrophobicContact CZ-CG2 4.42Å; A139-I176 HydrophobicContact CB-CD1 4.13Å; A139-I176 HydrophobicContact CB-CG1 4Å; W174-I176 HydrophobicContact CE3-CD1 4.24Å; W174-I176 HydrophobicContact CE3-CG1 4.48Å; W174-I176 HydrophobicContact CH2-CD1 4.32Å; W174-I176 HydrophobicContact CZ3-CD1 3.72Å; W174-I176 HydrophobicContact CZ3-CG1 3.97Å; I176-T178 HydrophobicContact CG2-CG2 4.25Å; I176-P192 HydrophobicContact CG2-CB 4.14Å; I176-V194 HydrophobicContact CG1-CG2 4.28Å
177V94.3Very high78.4Confident0 Ų060.9 Ų60.90%036%0.36CS..EExtended strand (participates in β ladder)trans-116.1125.7174.2-169.40000108.3P192 W193 I231 M235V177-P192 WeakPolarHBondContact O-CA 3.46Å; V177-W193 HydrophobicContact CB-CD2 3.75Å; V177-W193 VanDerWaalsContact CB-CE2 3.43Å; V177-W193 HydrophobicContact CB-CE3 4.12Å; V177-W193 HydrophobicContact CB-CG 4.33Å; V177-W193 HydrophobicContact CB-CH2 3.96Å; V177-W193 HydrophobicContact CB-CZ2 3.56Å; V177-W193 HydrophobicContact CB-CZ3 4.21Å; V177-W193 HydrophobicContact CG1-CD2 4.37Å; V177-W193 HydrophobicContact CG1-CH2 4.03Å; V177-W193 HydrophobicContact CG1-CZ2 3.35Å; V177-W193 HydrophobicContact CG2-CD2 4.11Å; V177-W193 HydrophobicContact CG2-CE3 3.94Å; V177-W193 HydrophobicContact CG2-CH2 3.63Å; V177-W193 HydrophobicContact CG2-CZ2 3.8Å; V177-W193 HydrophobicContact CG2-CZ3 3.7Å; V177-W193 PolarHBondContact N-O 2.98Å; V177-W193 PolarHBondContact O-N 2.78Å; V177-I231 HydrophobicContact CB-CD1 4.04Å; V177-I231 HydrophobicContact CG1-CD1 3.65Å; V177-I231 HydrophobicContact CG2-CD1 3.41Å; V177-I231 VanDerWaalsContact CG2-CD1 3.41Å; V177-M235 HydrophobicContact CG1-CB 4.21Å
178T93.5Very high79.1Confident31 Ų3157.1 Ų57.119%0.1934%0.335CS..  trans-106.42.2-173.655.20000113.3F130 I132 I176 S191F130-T178 HydrophobicContact CD2-CG2 3.68Å; F130-T178 HydrophobicContact CE2-CG2 4.34Å; F130-T178 HydrophobicContact CG-CG2 4.5Å; I132-T178 HydrophobicContact CB-CG2 4.07Å; I132-T178 HydrophobicContact CD1-CG2 4.4Å; I132-T178 HydrophobicContact CG1-CG2 4.4Å; I176-T178 HydrophobicContact CG2-CG2 4.25Å; T178-S191 VanDerWaalsContact CA-OG 3.25Å; T178-S191 WeakPolarHBondContact CA-OG 3.34Å; T178-S191 WeakPolarHBondContact O-CB 3.33Å; T178-S191 PolarHBondContact O-OG 2.89Å
179T91Very high80.2Confident47 Ų4755.3 Ų55.329%0.28832%0.324SS..SBendtrans-99.7143.1171.753.10000110.7W193 M235T179-W193 PolarHBondContact O-NE1 3.25Å; T179-M235 HydrophobicContact CG2-CB 3.69Å; T179-M235 HydrophobicContact CG2-CG 4.12Å; T179-M235 WeakPolarHBondContact OG1-CB 3.4Å
180P89.2Confident81.4Confident93 Ų9353.7 Ų53.760%0.60431%0.312SS*.  trans-63.3145174.528.2-34.4000110.4F189P180-F189 WeakPolarHBondContact CA-O 3.34Å
181L87.2Confident82.7Confident12 Ų1254.8 Ų54.86%0.06332%0.32CS..  trans-105.5115.6172.9-174.267.2000108.8T183 F189 W193 R253L181-T183 HydrophobicContact CB-CG2 4.49Å; L181-T183 HydrophobicContact CD2-CG2 3.73Å; L181-T183 HydrophobicContact CG-CG2 3.85Å; L181-T183 PolarHBondContact O-N 2.85Å; L181-F189 HydrophobicContact CB-CB 3.75Å; L181-F189 HydrophobicContact CD2-CB 4.49Å; L181-F189 HydrophobicContact CD2-CD2 4.46Å; L181-F189 HydrophobicContact CD2-CG 4.42Å; L181-F189 PolarHBondContact N-O 3.46Å; L181-W193 HydrophobicContact CB-CZ2 3.97Å; L181-W193 HydrophobicContact CD1-CZ2 4.45Å; L181-W193 HydrophobicContact CD2-CH2 4.22Å; L181-W193 HydrophobicContact CD2-CZ2 4.13Å; L181-W193 HydrophobicContact CG-CZ2 4.43Å; L181-R253 HydrophobicContact CD1-CG 3.76Å
182E79.3Confident83.8Confident155 Ų15554.2 Ų54.272%0.72432%0.318SS*.  trans-73101.1171.4-42.1169.2146.900107.8R253E182-R253 PolarHBondContact O-NE 3Å; E182-R253 IonicContact OE2-CZ 2.76Å; E182-R253 IonicContact OE2-NH2 2.66Å; E182-R253 PolarHBondContact OE2-NH2 3.31Å
183T73.3Confident85.1Confident34 Ų3452 Ų5221%0.20930%0.302CS..  trans-99.7162.4169.849.50000109.9L181 T185 S188 F189L181-T183 HydrophobicContact CB-CG2 4.49Å; L181-T183 HydrophobicContact CD2-CG2 3.73Å; L181-T183 HydrophobicContact CG-CG2 3.85Å; L181-T183 PolarHBondContact O-N 2.85Å; T183-T185 PolarHBondContact O-N 3.42Å; T183-T185 PolarHBondContact OG1-O 3.46Å; T183-T185 PolarHBondContact OG1-OG1 3.31Å; T183-S188 PolarHBondContact OG1-OG 2.95Å; T183-F189 HydrophobicContact CG2-CD2 3.71Å; T183-F189 HydrophobicContact CG2-CE2 4.21Å
184G67.9Low85.5Confident91 Ų9149.4 Ų49.494%0.93829%0.29SS*.SBendtrans-65.8-13.7174.500000114.1
185T70.9Confident85.5Confident79 Ų7949 Ų4949%0.48529%0.288SS..SBendtrans-90.9115.4173.239.90000110.1T183 S188T183-T185 PolarHBondContact O-N 3.42Å; T183-T185 PolarHBondContact OG1-O 3.46Å; T183-T185 PolarHBondContact OG1-OG1 3.31Å; T185-S188 WeakPolarHBondContact CB-OG 3.22Å; T185-S188 PolarHBondContact O-OG 2.9Å; T185-S188 VanDerWaalsContact O-OG 3.1Å; T185-S188 PolarHBondContact OG1-OG 3.44Å
186P69.1Low85.5Confident118 Ų11848.2 Ų48.277%0.76628%0.284SS*.THydrogen-bonded Turntrans-61.5142.617323.9-29.9000110.1S188P186-S188 PolarHBondContact O-N 3.4Å
187D75.7Confident85.3Confident112 Ų11247.9 Ų47.960%0.59928%0.282SS*.THydrogen-bonded Turntrans76-8.4178-60.2-37.9000119.4R190D187-R190 IonicContact OD1-CZ 3.44Å; D187-R190 IonicContact OD1-NE 2.69Å; D187-R190 PolarHBondContact OD1-NE 3.3Å; D187-R190 IonicContact OD1-NH2 3.42Å; D187-R190 PolarHBondContact OD1-NH2 2.88Å
188S83.8Confident85Confident10 Ų1048.5 Ų48.57%0.0729%0.285CS..THydrogen-bonded Turntrans-80.6149.7171.255.20000112.4T183 T185 P186 R190 D206T183-S188 PolarHBondContact OG1-OG 2.95Å; T185-S188 WeakPolarHBondContact CB-OG 3.22Å; T185-S188 PolarHBondContact O-OG 2.9Å; T185-S188 VanDerWaalsContact O-OG 3.1Å; T185-S188 PolarHBondContact OG1-OG 3.44Å; P186-S188 PolarHBondContact O-N 3.4Å; S188-R190 VanDerWaalsContact C-N 3.34Å; S188-R190 PolarHBondContact O-N 2.89Å; S188-D206 WeakPolarHBondContact CA-OD2 3.42Å
189F88.2Confident84.7Confident1 Ų150.8 Ų50.80%0.00430%0.296CS..THydrogen-bonded Turntrans57.836.1172.3-52.8-74000114.9P180 L181 T183 S191 W193 R204 D206 T209 E211P180-F189 WeakPolarHBondContact CA-O 3.34Å; L181-F189 HydrophobicContact CB-CB 3.75Å; L181-F189 HydrophobicContact CD2-CB 4.49Å; L181-F189 HydrophobicContact CD2-CD2 4.46Å; L181-F189 HydrophobicContact CD2-CG 4.42Å; L181-F189 PolarHBondContact N-O 3.46Å; T183-F189 HydrophobicContact CG2-CD2 3.71Å; T183-F189 HydrophobicContact CG2-CE2 4.21Å; F189-S191 PolarHBondContact O-N 3.3Å; F189-S191 VanDerWaalsContact O-N 3.12Å; F189-W193 HydrophobicContact CB-CG 4.2Å; F189-W193 HydrophobicContact CD1-CB 3.86Å; F189-W193 HydrophobicContact CD1-CD2 4.06Å; F189-W193 HydrophobicContact CD1-CE3 4.25Å; F189-W193 AromaticContact CD1-CG 3.92Å; F189-W193 HydrophobicContact CD1-CG 3.92Å; F189-R204 HydrophobicContact CE1-CB 3.98Å; F189-R204 HydrophobicContact CE1-CG 3.77Å; F189-R204 HydrophobicContact CE2-CG 4.44Å; F189-R204 HydrophobicContact CZ-CB 4.36Å; F189-R204 HydrophobicContact CZ-CG 3.63Å; F189-D206 HydrophobicContact CD1-CB 3.92Å; F189-D206 HydrophobicContact CE1-CB 4.23Å; F189-D206 PolarHBondContact N-OD2 3.31Å; F189-T209 HydrophobicContact CE2-CG2 4.29Å; F189-T209 HydrophobicContact CZ-CG2 4.23Å; F189-E211 HydrophobicContact CZ-CB 4.43Å
190R85Confident84.5Confident177 Ų17753.9 Ų53.967%0.66831%0.306SS*.  trans-66.1-5.2177.9-77.1-175173.7-108.24.7115.9D187 S188D187-R190 IonicContact OD1-CZ 3.44Å; D187-R190 IonicContact OD1-NE 2.69Å; D187-R190 PolarHBondContact OD1-NE 3.3Å; D187-R190 IonicContact OD1-NH2 3.42Å; D187-R190 PolarHBondContact OD1-NH2 2.88Å; S188-R190 VanDerWaalsContact C-N 3.34Å; S188-R190 PolarHBondContact O-N 2.89Å
191S84.8Confident84.5Confident35 Ų3552.9 Ų52.925%0.24530%0.295CS..SBendtrans87.6143.4-171.5-173.70000115.4I132 T178 F189I132-S191 WeakPolarHBondContact CD1-OG 3.45Å; T178-S191 VanDerWaalsContact CA-OG 3.25Å; T178-S191 WeakPolarHBondContact CA-OG 3.34Å; T178-S191 WeakPolarHBondContact O-CB 3.33Å; T178-S191 PolarHBondContact O-OG 2.89Å; F189-S191 PolarHBondContact O-N 3.3Å; F189-S191 VanDerWaalsContact O-N 3.12Å
192P93.4Very high84.6Confident9 Ų952.4 Ų52.46%0.05829%0.293CS..SBendcis-73.6148.2-16.431.9-34.9000110.9F130 I132 I149 T151 I176 V177 F207F130-P192 HydrophobicContact CE2-CB 4.37Å; I132-P192 HydrophobicContact CD1-CB 4.11Å; I132-P192 HydrophobicContact CD1-CG 4.27Å; I149-P192 HydrophobicContact CG2-CG 4.05Å; T151-P192 HydrophobicContact CG2-CG 4.04Å; I176-P192 HydrophobicContact CG2-CB 4.14Å; V177-P192 WeakPolarHBondContact O-CA 3.46Å; P192-F207 HydrophobicContact CG-CE2 4.24Å; P192-F207 HydrophobicContact CG-CZ 4.2Å
193W94.3Very high85.3Confident1 Ų147.1 Ų47.10%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-134.4164.6172.556.8-85.2000110.2V177 T179 L181 F189 M195 R204 A205 D206V177-W193 HydrophobicContact CB-CD2 3.75Å; V177-W193 VanDerWaalsContact CB-CE2 3.43Å; V177-W193 HydrophobicContact CB-CE3 4.12Å; V177-W193 HydrophobicContact CB-CG 4.33Å; V177-W193 HydrophobicContact CB-CH2 3.96Å; V177-W193 HydrophobicContact CB-CZ2 3.56Å; V177-W193 HydrophobicContact CB-CZ3 4.21Å; V177-W193 HydrophobicContact CG1-CD2 4.37Å; V177-W193 HydrophobicContact CG1-CH2 4.03Å; V177-W193 HydrophobicContact CG1-CZ2 3.35Å; V177-W193 HydrophobicContact CG2-CD2 4.11Å; V177-W193 HydrophobicContact CG2-CE3 3.94Å; V177-W193 HydrophobicContact CG2-CH2 3.63Å; V177-W193 HydrophobicContact CG2-CZ2 3.8Å; V177-W193 HydrophobicContact CG2-CZ3 3.7Å; V177-W193 PolarHBondContact N-O 2.98Å; V177-W193 PolarHBondContact O-N 2.78Å; T179-W193 PolarHBondContact O-NE1 3.25Å; L181-W193 HydrophobicContact CB-CZ2 3.97Å; L181-W193 HydrophobicContact CD1-CZ2 4.45Å; L181-W193 HydrophobicContact CD2-CH2 4.22Å; L181-W193 HydrophobicContact CD2-CZ2 4.13Å; L181-W193 HydrophobicContact CG-CZ2 4.43Å; F189-W193 HydrophobicContact CB-CG 4.2Å; F189-W193 HydrophobicContact CD1-CB 3.86Å; F189-W193 HydrophobicContact CD1-CD2 4.06Å; F189-W193 HydrophobicContact CD1-CE3 4.25Å; F189-W193 AromaticContact CD1-CG 3.92Å; F189-W193 HydrophobicContact CD1-CG 3.92Å; W193-M195 HydrophobicContact CH2-CE 3.72Å; W193-M195 HydrophobicContact CZ3-CB 4.22Å; W193-M195 HydrophobicContact CZ3-CE 3.63Å; W193-R204 HydrophobicContact CE3-CB 4.09Å; W193-R204 HydrophobicContact CZ3-CB 3.94Å; W193-A205 WeakPolarHBondContact CB-O 3.47Å; W193-D206 HydrophobicContact CB-CB 4.01Å
194V94.5Very high86.2Confident0 Ų046.5 Ų46.50%026%0.26CS..EExtended strand (participates in β ladder)trans-120.5137.8-173.5173.10000110.4I147 I149 L161 W174 T175 I176 F196 R204 A205I147-V194 HydrophobicContact CD1-CG1 4.01Å; I149-V194 HydrophobicContact CD1-CG2 3.94Å; L161-V194 HydrophobicContact CD1-CB 3.77Å; L161-V194 HydrophobicContact CD1-CG2 3.58Å; W174-V194 HydrophobicContact CB-CG1 4.27Å; W174-V194 HydrophobicContact CE3-CG1 3.76Å; W174-V194 HydrophobicContact CE3-CG2 4.39Å; W174-V194 HydrophobicContact CZ3-CG2 4.42Å; T175-V194 WeakPolarHBondContact O-CA 3.31Å; I176-V194 HydrophobicContact CG1-CG2 4.28Å; V194-F196 HydrophobicContact CG1-CB 4.43Å; V194-F196 HydrophobicContact CG1-CD1 4.23Å; V194-R204 CarbonylContact O-C 3.53Å; V194-R204 VanDerWaalsContact O-CA 3.3Å; V194-R204 WeakPolarHBondContact O-CA 3.45Å; V194-A205 PolarHBondContact N-O 3.38Å; V194-A205 PolarHBondContact O-N 3.09Å
195M93.3Very high87.4Confident0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-108.5134.2167-168.3-180-59.600108.7W174 T175 W193 L202 Y203 L229 V238 F254W174-M195 CarbonylContact C-O 3.51Å; W174-M195 WeakPolarHBondContact CA-O 3.48Å; W174-M195 WeakPolarHBondContact CB-O 3.45Å; T175-M195 HydrophobicContact CG2-CB 4.13Å; T175-M195 PolarHBondContact N-O 2.86Å; T175-M195 PolarHBondContact O-N 2.93Å; W193-M195 HydrophobicContact CH2-CE 3.72Å; W193-M195 HydrophobicContact CZ3-CB 4.22Å; W193-M195 HydrophobicContact CZ3-CE 3.63Å; M195-L202 HydrophobicContact CG-CD1 4.05Å; M195-L202 HydrophobicContact CG-CG 4.41Å; M195-L202 HydrophobicContact SD-CD1 4.49Å; M195-L202 HydrophobicContact SD-CD2 4.36Å; M195-Y203 CarbonylContact C-O 3.54Å; M195-Y203 WeakPolarHBondContact CA-O 3.06Å; M195-Y203 WeakPolarHBondContact CG-O 3.46Å; M195-L229 HydrophobicContact CB-CD2 4.36Å; M195-L229 HydrophobicContact CG-CD2 4.08Å; M195-L229 HydrophobicContact SD-CD1 4.29Å; M195-L229 HydrophobicContact SD-CD2 4.43Å; M195-V238 HydrophobicContact CE-CG2 3.91Å; M195-V238 HydrophobicContact SD-CG1 3.99Å; M195-V238 HydrophobicContact SD-CG2 4.05Å; M195-F254 HydrophobicContact CE-CE2 3.55Å; M195-F254 HydrophobicContact CE-CZ 4.03Å; M195-F254 HydrophobicContact SD-CE2 3.72Å; M195-F254 HydrophobicContact SD-CZ 3.57Å; M195-F254 VanDerWaalsContact SD-CZ 3.57Å
196F92.7Very high88.5Confident0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-148.1149.1-175.463.8-85.4000112.1L164 P165 L171 H173 W174 V194 Y203 A205 V210L164-F196 HydrophobicContact CB-CZ 4.33Å; L164-F196 HydrophobicContact CD2-CD1 4.47Å; L164-F196 HydrophobicContact CD2-CE1 3.7Å; L164-F196 HydrophobicContact CD2-CZ 3.73Å; L164-F196 HydrophobicContact CG-CZ 4.5Å; P165-F196 HydrophobicContact CG-CE2 4.29Å; P165-F196 HydrophobicContact CG-CZ 4.24Å; L171-F196 HydrophobicContact CD2-CB 4.14Å; L171-F196 HydrophobicContact CD2-CD2 3.17Å; L171-F196 HydrophobicContact CD2-CE2 3.77Å; L171-F196 HydrophobicContact CD2-CG 3.91Å; H173-F196 CarbonylContact O-C 3.45Å; H173-F196 WeakPolarHBondContact O-CA 3.48Å; W174-F196 HydrophobicContact CB-CB 3.56Å; V194-F196 HydrophobicContact CG1-CB 4.43Å; V194-F196 HydrophobicContact CG1-CD1 4.23Å; F196-Y203 HydrophobicContact CD2-CD2 4.07Å; F196-Y203 HydrophobicContact CD2-CG 4.45Å; F196-Y203 VanDerWaalsContact CE1-CB 3.49Å; F196-Y203 HydrophobicContact CE1-CG 4.47Å; F196-Y203 AromaticContact CE2-CD2 3.52Å; F196-Y203 HydrophobicContact CE2-CD2 3.52Å; F196-Y203 HydrophobicContact CE2-CE2 4.46Å; F196-Y203 AromaticContact CE2-CG 3.71Å; F196-Y203 HydrophobicContact CE2-CG 3.71Å; F196-Y203 HydrophobicContact CZ-CD2 4.05Å; F196-Y203 AromaticContact CZ-CG 3.72Å; F196-Y203 HydrophobicContact CZ-CG 3.72Å; F196-Y203 PolarHBondContact N-O 3.4Å; F196-Y203 PolarHBondContact O-N 3.41Å; F196-A205 HydrophobicContact CE1-CB 3.77Å; F196-V210 HydrophobicContact CZ-CG2 4.39Å
197S90.6Very high89.6Confident0 Ų036.8 Ų36.80%017%0.174CC..EExtended strand (participates in β ladder)trans-103.3142.3173.760.90000111.2S172 H173 N201S172-S197 PolarHBondContact N-O 2.91Å; S172-S197 PolarHBondContact OG-OG 3.23Å; H173-S197 PolarHBondContact N-OG 2.85Å; H173-S197 PolarHBondContact O-N 3.36Å; H173-S197 PolarHBondContact O-OG 2.87Å; S197-N201 CarbonylContact C-O 3.57Å; S197-N201 VanDerWaalsContact CA-O 3.26Å; S197-N201 WeakPolarHBondContact CA-O 3.27Å
198N87.8Confident90.3Very high14 Ų1434.3 Ų34.38%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-12197.6164.3-178.1-19.9000107.5P165 S170 K200 N201 Y203P165-N198 PolarHBondContact O-ND2 3.34Å; S170-N198 WeakPolarHBondContact CB-OD1 3.42Å; S170-N198 WeakPolarHBondContact O-CA 3.47Å; S170-N198 PolarHBondContact OG-ND2 3.22Å; S170-N198 PolarHBondContact OG-OD1 3.02Å; N198-K200 PolarHBondContact O-N 3.07Å; N198-K200 VanDerWaalsContact O-N 3.14Å; N198-N201 PolarHBondContact N-O 3.31Å; N198-N201 WeakPolarHBondContact O-CB 3.37Å; N198-N201 PolarHBondContact O-N 3.35Å; N198-Y203 HydrophobicContact CB-CE2 4.12Å
199N86Confident90.7Very high78 Ų7836.4 Ų36.442%0.41719%0.187SC..THydrogen-bonded Turntrans53-114.9-170.4-60.4-17000110.6D225 I226N199-D225 WeakPolarHBondContact CB-OD1 3.48Å; N199-I226 WeakPolarHBondContact O-CB 3.3Å; N199-I226 PolarHBondContact O-N 3.49Å
200K86.9Confident90.9Very high112 Ų11239.1 Ų39.149%0.48720%0.204SC..THydrogen-bonded Turntrans-79.1-15.7175.766.3-176.5-179.7-179.50115.8N198 S224 D225N198-K200 PolarHBondContact O-N 3.07Å; N198-K200 VanDerWaalsContact O-N 3.14Å; K200-S224 WeakPolarHBondContact CB-O 3.45Å; K200-D225 PolarHBondContact N-OD1 3.3Å
201N88.9Confident91.2Very high73 Ų7334.3 Ų34.339%0.3919%0.189SC..EExtended strand (participates in β ladder)trans-89.8139-175.6-61.2-32.9000110.2S197 N198 Y203S197-N201 CarbonylContact C-O 3.57Å; S197-N201 VanDerWaalsContact CA-O 3.26Å; S197-N201 WeakPolarHBondContact CA-O 3.27Å; N198-N201 PolarHBondContact N-O 3.31Å; N198-N201 WeakPolarHBondContact O-CB 3.37Å; N198-N201 PolarHBondContact O-N 3.35Å; N201-Y203 HydrophobicContact CB-CD2 4.44Å; N201-Y203 HydrophobicContact CB-CE2 3.55Å
202L91.1Very high91.4Very high2 Ų235 Ų351%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-115.5142.2176.5-172.570.8000110M195 I213 L215 I226 L229 I240 F254M195-L202 HydrophobicContact CG-CD1 4.05Å; M195-L202 HydrophobicContact CG-CG 4.41Å; M195-L202 HydrophobicContact SD-CD1 4.49Å; M195-L202 HydrophobicContact SD-CD2 4.36Å; L202-I213 HydrophobicContact CB-CB 4.21Å; L202-I213 HydrophobicContact CD2-CB 4.25Å; L202-I213 HydrophobicContact CD2-CD1 4.11Å; L202-I213 HydrophobicContact CD2-CG2 4.2Å; L202-I213 HydrophobicContact CG-CB 4.31Å; L202-I213 HydrophobicContact CG-CD1 4.21Å; L202-I213 PolarHBondContact O-N 3.38Å; L202-L215 HydrophobicContact CB-CD1 4.33Å; L202-L215 HydrophobicContact CB-CG 4.46Å; L202-L215 HydrophobicContact CD2-CD2 4.11Å; L202-I226 HydrophobicContact CB-CD1 4.05Å; L202-I226 HydrophobicContact CD1-CD1 4.09Å; L202-L229 HydrophobicContact CD1-CD1 4.18Å; L202-L229 HydrophobicContact CD1-CD2 4.11Å; L202-I240 HydrophobicContact CD2-CD1 3.86Å; L202-F254 HydrophobicContact CD2-CD1 4.3Å; L202-F254 HydrophobicContact CD2-CE1 3.4Å; L202-F254 HydrophobicContact CD2-CE2 4.18Å; L202-F254 HydrophobicContact CD2-CZ 3.34Å
203Y92.2Very high91.2Very high44 Ų4435.5 Ų35.517%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-137.9157.4-178.8-61.2-88.8000110.9P165 M195 F196 N198 N201 V210 E211P165-Y203 HydrophobicContact CB-CE1 4.24Å; P165-Y203 HydrophobicContact CG-CD1 3.63Å; P165-Y203 HydrophobicContact CG-CD2 4.15Å; P165-Y203 HydrophobicContact CG-CE1 3.46Å; P165-Y203 VanDerWaalsContact CG-CE1 3.46Å; P165-Y203 HydrophobicContact CG-CE2 3.98Å; P165-Y203 HydrophobicContact CG-CG 3.99Å; M195-Y203 CarbonylContact C-O 3.54Å; M195-Y203 WeakPolarHBondContact CA-O 3.06Å; M195-Y203 WeakPolarHBondContact CG-O 3.46Å; F196-Y203 HydrophobicContact CD2-CD2 4.07Å; F196-Y203 HydrophobicContact CD2-CG 4.45Å; F196-Y203 VanDerWaalsContact CE1-CB 3.49Å; F196-Y203 HydrophobicContact CE1-CG 4.47Å; F196-Y203 AromaticContact CE2-CD2 3.52Å; F196-Y203 HydrophobicContact CE2-CD2 3.52Å; F196-Y203 HydrophobicContact CE2-CE2 4.46Å; F196-Y203 AromaticContact CE2-CG 3.71Å; F196-Y203 HydrophobicContact CE2-CG 3.71Å; F196-Y203 HydrophobicContact CZ-CD2 4.05Å; F196-Y203 AromaticContact CZ-CG 3.72Å; F196-Y203 HydrophobicContact CZ-CG 3.72Å; F196-Y203 PolarHBondContact N-O 3.4Å; F196-Y203 PolarHBondContact O-N 3.41Å; N198-Y203 HydrophobicContact CB-CE2 4.12Å; N201-Y203 HydrophobicContact CB-CD2 4.44Å; N201-Y203 HydrophobicContact CB-CE2 3.55Å; Y203-V210 HydrophobicContact CD1-CG2 4.5Å; Y203-E211 CarbonylContact C-O 3.56Å; Y203-E211 VanDerWaalsContact CA-O 3.25Å; Y203-E211 WeakPolarHBondContact CA-O 3.48Å
204R93.1Very high90.9Very high20 Ų2039.3 Ų39.38%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-123.2139.9163.258.8177.1-179.8-145.16.8109.9F189 W193 V194 V210 E211 I213F189-R204 HydrophobicContact CE1-CB 3.98Å; F189-R204 HydrophobicContact CE1-CG 3.77Å; F189-R204 HydrophobicContact CE2-CG 4.44Å; F189-R204 HydrophobicContact CZ-CB 4.36Å; F189-R204 HydrophobicContact CZ-CG 3.63Å; W193-R204 HydrophobicContact CE3-CB 4.09Å; W193-R204 HydrophobicContact CZ3-CB 3.94Å; V194-R204 CarbonylContact O-C 3.53Å; V194-R204 VanDerWaalsContact O-CA 3.3Å; V194-R204 WeakPolarHBondContact O-CA 3.45Å; R204-V210 WeakPolarHBondContact O-CA 3.31Å; R204-E211 HydrophobicContact CG-CB 3.92Å; R204-E211 IonicContact CZ-OE1 3.28Å; R204-E211 IonicContact CZ-OE2 3.53Å; R204-E211 PolarHBondContact N-O 3.39Å; R204-E211 IonicContact NE-OE1 3.63Å; R204-E211 IonicContact NE-OE2 3.81Å; R204-E211 PolarHBondContact NE-OE2 3.02Å; R204-E211 IonicContact NH2-OE1 3.16Å; R204-E211 PolarHBondContact NH2-OE1 3.4Å; R204-E211 IonicContact NH2-OE2 2.86Å; R204-E211 PolarHBondContact NH2-OE2 3.22Å; R204-E211 PolarHBondContact O-N 2.87Å; R204-I213 HydrophobicContact CB-CD1 4.26Å; R204-I213 HydrophobicContact CG-CD1 4.17Å; R204-I213 HydrophobicContact CG-CG1 4.45Å
205A93.2Very high90.5Very high0 Ų040.2 Ų40.20%023%0.229CC..EExtended strand (participates in β ladder)trans-140.1139-179.600000111.8V162 L164 W193 V194 F196 T209 V210V162-A205 HydrophobicContact CG1-CB 3.93Å; L164-A205 HydrophobicContact CD2-CB 3.93Å; W193-A205 WeakPolarHBondContact CB-O 3.47Å; V194-A205 PolarHBondContact N-O 3.38Å; V194-A205 PolarHBondContact O-N 3.09Å; F196-A205 HydrophobicContact CE1-CB 3.77Å; A205-T209 WeakPolarHBondContact CA-O 3.5Å; A205-V210 HydrophobicContact CB-CB 4.31Å; A205-V210 HydrophobicContact CB-CG2 4.21Å
206D93.8Very high89.9Confident14 Ų1443.3 Ų43.38%0.07525%0.25CS..  trans-116.8-160.7166.572.914.4000110.4L161 V162 S188 F189 W193 G208 T209L161-D206 VanDerWaalsContact CD2-O 3.26Å; L161-D206 WeakPolarHBondContact CD2-O 3.41Å; V162-D206 WeakPolarHBondContact CG1-O 3.45Å; V162-D206 PolarHBondContact N-O 2.65Å; V162-D206 VanDerWaalsContact N-O 3.09Å; S188-D206 WeakPolarHBondContact CA-OD2 3.42Å; F189-D206 HydrophobicContact CD1-CB 3.92Å; F189-D206 HydrophobicContact CE1-CB 4.23Å; F189-D206 PolarHBondContact N-OD2 3.31Å; W193-D206 HydrophobicContact CB-CB 4.01Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 3.26Å; D206-G208 PolarHBondContact OD1-N 2.71Å; D206-T209 PolarHBondContact N-O 2.89Å; D206-T209 WeakPolarHBondContact OD1-CA 3.34Å; D206-T209 WeakPolarHBondContact OD1-CB 3.49Å; D206-T209 PolarHBondContact OD1-N 3.41Å
207F92.7Very high89.3Confident71 Ų7151.5 Ų51.531%0.31129%0.286SS..SBendtrans-72-13.8-178.6-60.8-74.4000114.7I149 R159 R160 L161 P192I149-F207 HydrophobicContact CB-CE1 4.47Å; I149-F207 HydrophobicContact CB-CZ 4.4Å; I149-F207 HydrophobicContact CD1-CZ 4.42Å; R159-F207 HydrophobicContact CB-CD1 3.95Å; R159-F207 HydrophobicContact CB-CE1 3.42Å; R159-F207 VanDerWaalsContact CB-CE1 3.42Å; R159-F207 HydrophobicContact CB-CZ 4.21Å; R159-F207 HydrophobicContact CG-CE1 4.47Å; R160-F207 WeakPolarHBondContact O-CD1 3.43Å; L161-F207 HydrophobicContact CD2-CD1 3.95Å; L161-F207 HydrophobicContact CD2-CE1 4.01Å; L161-F207 HydrophobicContact CD2-CG 4.29Å; L161-F207 HydrophobicContact CD2-CZ 4.41Å; P192-F207 HydrophobicContact CG-CE2 4.24Å; P192-F207 HydrophobicContact CG-CZ 4.2Å
208G90.6Very high88.7Confident59 Ų5953 Ų5361%0.60829%0.294SS*.SBendtrans-136.8-13.2-176.700000115.9D206D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 3.26Å; D206-G208 PolarHBondContact OD1-N 2.71Å
209T91.3Very high88.2Confident54 Ų5452.9 Ų52.933%0.33129%0.293SS..  trans-134.5134.2-169.7-48.30000110.1V162 F189 A205 D206V162-T209 WeakPolarHBondContact CG1-O 3.49Å; F189-T209 HydrophobicContact CE2-CG2 4.29Å; F189-T209 HydrophobicContact CZ-CG2 4.23Å; A205-T209 WeakPolarHBondContact CA-O 3.5Å; D206-T209 PolarHBondContact N-O 2.89Å; D206-T209 WeakPolarHBondContact OD1-CA 3.34Å; D206-T209 WeakPolarHBondContact OD1-CB 3.49Å; D206-T209 PolarHBondContact OD1-N 3.41Å
210V92Very high87.5Confident59 Ų5961.2 Ų61.236%0.35832%0.319SS..EExtended strand (participates in β ladder)trans-125.2137.4168.659.20000109.2V162 P165 F196 Y203 R204 A205V162-V210 HydrophobicContact CG1-CB 3.73Å; V162-V210 HydrophobicContact CG1-CG1 4.29Å; P165-V210 HydrophobicContact CG-CG2 4.48Å; F196-V210 HydrophobicContact CZ-CG2 4.39Å; Y203-V210 HydrophobicContact CD1-CG2 4.5Å; R204-V210 WeakPolarHBondContact O-CA 3.31Å; A205-V210 HydrophobicContact CB-CB 4.31Å; A205-V210 HydrophobicContact CB-CG2 4.21Å
211E91.2Very high86.5Confident75 Ų7557.1 Ų57.135%0.3531%0.305SS..EExtended strand (participates in β ladder)trans-135.2132.2-178.6-173.6-177.9160.100110.4F189 Y203 R204F189-E211 HydrophobicContact CZ-CB 4.43Å; Y203-E211 CarbonylContact C-O 3.56Å; Y203-E211 VanDerWaalsContact CA-O 3.25Å; Y203-E211 WeakPolarHBondContact CA-O 3.48Å; R204-E211 HydrophobicContact CG-CB 3.92Å; R204-E211 IonicContact CZ-OE1 3.28Å; R204-E211 IonicContact CZ-OE2 3.53Å; R204-E211 PolarHBondContact N-O 3.39Å; R204-E211 IonicContact NE-OE1 3.63Å; R204-E211 IonicContact NE-OE2 3.81Å; R204-E211 PolarHBondContact NE-OE2 3.02Å; R204-E211 IonicContact NH2-OE1 3.16Å; R204-E211 PolarHBondContact NH2-OE1 3.4Å; R204-E211 IonicContact NH2-OE2 2.86Å; R204-E211 PolarHBondContact NH2-OE2 3.22Å; R204-E211 PolarHBondContact O-N 2.87Å
212G90.1Very high85.2Confident49 Ų4956.6 Ų56.651%0.50531%0.31SS..EExtended strand (participates in β ladder)trans-82.5135.1171.700000111.3
213I89.9Confident84.4Confident21 Ų2158.7 Ų58.711%0.10833%0.332CS..EExtended strand (participates in β ladder)trans-105.2114.9-178.7-55.7178.8000108.2L202 R204 L215 F254L202-I213 HydrophobicContact CB-CB 4.21Å; L202-I213 HydrophobicContact CD2-CB 4.25Å; L202-I213 HydrophobicContact CD2-CD1 4.11Å; L202-I213 HydrophobicContact CD2-CG2 4.2Å; L202-I213 HydrophobicContact CG-CB 4.31Å; L202-I213 HydrophobicContact CG-CD1 4.21Å; L202-I213 PolarHBondContact O-N 3.38Å; R204-I213 HydrophobicContact CB-CD1 4.26Å; R204-I213 HydrophobicContact CG-CD1 4.17Å; R204-I213 HydrophobicContact CG-CG1 4.45Å; I213-L215 PolarHBondContact O-N 3.29Å; I213-F254 HydrophobicContact CD1-CD2 3.67Å; I213-F254 HydrophobicContact CD1-CE2 3.55Å; I213-F254 HydrophobicContact CD1-CG 4.41Å; I213-F254 HydrophobicContact CD1-CZ 4.21Å; I213-F254 HydrophobicContact CG2-CB 3.78Å; I213-F254 HydrophobicContact CG2-CD1 3.69Å; I213-F254 HydrophobicContact CG2-CD2 3.83Å; I213-F254 HydrophobicContact CG2-CE1 4.24Å; I213-F254 HydrophobicContact CG2-CE2 4.36Å; I213-F254 HydrophobicContact CG2-CG 3.47Å; I213-F254 VanDerWaalsContact CG2-CG 3.47Å
214D86.8Confident84.2Confident81 Ų8157.9 Ų57.943%0.43333%0.333SS..  trans-83.3100.8179.7-179.513.1000111.2S216 K217D214-S216 PolarHBondContact O-N 2.79Å; D214-S216 VanDerWaalsContact OD1-CB 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.41Å; D214-S216 PolarHBondContact OD1-N 3.27Å; D214-S216 PolarHBondContact OD1-OG 2.85Å; D214-S216 PolarHBondContact OD2-OG 3.45Å; D214-K217 WeakPolarHBondContact OD2-CE 3.28Å
215L85.5Confident84Confident19 Ų1960.1 Ų60.110%0.09935%0.347CS..G310 helixtrans-69.4-18.4178.3-67.8177.1000113.5L202 I213 K217 L218 T219 I226 I240 F254L202-L215 HydrophobicContact CB-CD1 4.33Å; L202-L215 HydrophobicContact CB-CG 4.46Å; L202-L215 HydrophobicContact CD2-CD2 4.11Å; I213-L215 PolarHBondContact O-N 3.29Å; L215-K217 PolarHBondContact O-N 3.4Å; L215-L218 PolarHBondContact O-N 2.94Å; L215-T219 PolarHBondContact O-N 3.22Å; L215-I226 HydrophobicContact CD1-CD1 3.95Å; L215-I240 HydrophobicContact CD2-CD1 4.07Å; L215-F254 HydrophobicContact CD2-CD1 4.14Å; L215-F254 HydrophobicContact CD2-CE1 4.14Å
216S82.6Confident83.9Confident64 Ų6460.3 Ų60.345%0.44835%0.348SS..G310 helixtrans-65.5-21.2-178.2730000113.5D214 L218D214-S216 PolarHBondContact O-N 2.79Å; D214-S216 VanDerWaalsContact OD1-CB 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.41Å; D214-S216 PolarHBondContact OD1-N 3.27Å; D214-S216 PolarHBondContact OD1-OG 2.85Å; D214-S216 PolarHBondContact OD2-OG 3.45Å; S216-L218 VanDerWaalsContact C-N 3.28Å; S216-L218 PolarHBondContact O-N 2.68Å
217K79.3Confident83.8Confident172 Ų17260.8 Ų60.875%0.74835%0.352SS*.G310 helixtrans-71.3-23.8173.3-63.9-179.3-176.8176.80113.1D214 L215D214-K217 WeakPolarHBondContact OD2-CE 3.28Å; L215-K217 PolarHBondContact O-N 3.4Å
218L78.5Confident83.8Confident33 Ų3358.3 Ų58.317%0.17334%0.342CS..THydrogen-bonded Turntrans-103.9-34.8-175.2-63.9174.9000112.1L215 S216 F254 L257L215-L218 PolarHBondContact O-N 2.94Å; S216-L218 VanDerWaalsContact C-N 3.28Å; S216-L218 PolarHBondContact O-N 2.68Å; L218-F254 HydrophobicContact CD1-CB 3.96Å; L218-F254 HydrophobicContact CD1-CD1 3.82Å; L218-F254 HydrophobicContact CD1-CG 4.4Å; L218-L257 HydrophobicContact CD2-CB 4.28Å; L218-L257 WeakPolarHBondContact O-CD2 3.45Å
219T76.5Confident84Confident10 Ų1056.2 Ų56.26%0.06132%0.316CS..  trans-135.6147.1-178.21800000112.3L215 S221 L248L215-T219 PolarHBondContact O-N 3.22Å; T219-S221 PolarHBondContact O-N 3.4Å; T219-S221 PolarHBondContact OG1-N 3.3Å; T219-S221 VanDerWaalsContact OG1-N 3.14Å; T219-L248 HydrophobicContact CG2-CD1 3.78Å
220R70.8Confident84.1Confident253 Ų25354.2 Ų54.296%0.95531%0.305SS*.SBendtrans-72.6-15.4172.2-63.6-176.6-170.3170.64.1112.5A222R220-A222 PolarHBondContact O-N 3.47Å
221S67.3Low84.2Confident27 Ų2752 Ų5219%0.18929%0.291CS..  trans-83.528.6-176.9-53.90000113.4T219 G223 E246T219-S221 PolarHBondContact O-N 3.4Å; T219-S221 PolarHBondContact OG1-N 3.3Å; T219-S221 VanDerWaalsContact OG1-N 3.14Å; S221-G223 PolarHBondContact O-N 3.49Å; S221-E246 WeakPolarHBondContact CB-OE2 3.44Å; S221-E246 PolarHBondContact OG-OE1 3.34Å; S221-E246 PolarHBondContact OG-OE2 2.93Å
222A60.7Low84.4Confident61 Ų6148.5 Ų48.550%0.50428%0.275SS..THydrogen-bonded Turntrans-66.692.4-179.500000110.6R220R220-A222 PolarHBondContact O-N 3.47Å
223G75.2Confident84.3Confident46 Ų4649.1 Ų49.147%0.47427%0.266SS..THydrogen-bonded Turntrans164.5-25.6-179.400000113.9S221S221-G223 PolarHBondContact O-N 3.49Å
224S86.9Confident84.3Confident27 Ų2750.4 Ų50.419%0.18927%0.273CS..SBendtrans-72.7145174.6-62.60000111.8K200 N244K200-S224 WeakPolarHBondContact CB-O 3.45Å; S224-N244 WeakPolarHBondContact OG-CB 3.41Å; S224-N244 PolarHBondContact OG-ND2 3.49Å
225D89.2Confident84.6Confident67 Ų6748.5 Ų48.536%0.35826%0.262SS..PPolyproline II helixtrans-75.2147.1177.2-63-33.9000110.4N199 K200 C227 L242 T243N199-D225 WeakPolarHBondContact CB-OD1 3.48Å; K200-D225 PolarHBondContact N-OD1 3.3Å; D225-C227 PolarHBondContact O-N 2.97Å; D225-L242 CarbonylContact O-C 3.59Å; D225-L242 WeakPolarHBondContact O-CA 3.25Å; D225-T243 HydrophobicContact CB-CG2 3.78Å; D225-T243 PolarHBondContact N-OG1 2.99Å; D225-T243 VanDerWaalsContact N-OG1 3.13Å; D225-T243 PolarHBondContact O-N 3.23Å
226I91.2Very high84.9Confident4 Ų452.8 Ų52.82%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-79121176-62.4167.2000108.3H173 N199 L202 L215 I240 L242H173-I226 PolarHBondContact CD2-O 3.29Å; H173-I226 PolarHBondContact NE2-O 2.98Å; N199-I226 WeakPolarHBondContact O-CB 3.3Å; N199-I226 PolarHBondContact O-N 3.49Å; L202-I226 HydrophobicContact CB-CD1 4.05Å; L202-I226 HydrophobicContact CD1-CD1 4.09Å; L215-I226 HydrophobicContact CD1-CD1 3.95Å; I226-I240 HydrophobicContact CB-CG2 4.48Å; I226-I240 HydrophobicContact CD1-CG2 4.38Å; I226-I240 HydrophobicContact CG1-CG2 3.96Å; I226-I240 HydrophobicContact CG2-CG2 3.9Å; I226-L242 HydrophobicContact CG1-CD2 3.9Å
227C90.5Very high85.4Confident25 Ų2551.7 Ų51.717%0.16927%0.269CS..EExtended strand (participates in β ladder)trans-97.7-29.6-179.5-84.40000113.8H173 D225 Y241 T243H173-C227 VanDerWaalsContact CD2-C 3.45Å; H173-C227 PolarHBondContact CD2-O 3.45Å; H173-C227 PolarHBondContact CE1-O 3.25Å; H173-C227 PolarHBondContact ND1-O 2.91Å; H173-C227 VanDerWaalsContact NE2-C 3.27Å; H173-C227 PolarHBondContact NE2-O 3.12Å; D225-C227 PolarHBondContact O-N 2.97Å; C227-Y241 HydrophobicContact CB-CD1 3.66Å; C227-Y241 HydrophobicContact CB-CE1 4.2Å; C227-Y241 WeakPolarHBondContact CB-O 3.39Å; C227-Y241 PolarHBondContact N-O 3.09Å; C227-T243 WeakPolarHBondContact SG-CG2 3.31Å
228L93.9Very high86.1Confident19 Ų1943.5 Ų43.510%0.09923%0.233CC..EExtended strand (participates in β ladder)trans-148.8145174.3-62.9174.1000109.5I240 Y241 P286 M289L228-I240 WeakPolarHBondContact O-CA 3.47Å; L228-Y241 PolarHBondContact N-O 3.49Å; L228-Y241 PolarHBondContact O-N 3.41Å; L228-P286 HydrophobicContact CD1-CB 4.03Å; L228-P286 HydrophobicContact CD1-CG 3.71Å; L228-M289 HydrophobicContact CB-CB 4.15Å; L228-M289 HydrophobicContact CB-CE 3.83Å; L228-M289 HydrophobicContact CD1-CB 3.72Å
229L94.2Very high86.9Confident14 Ų1442 Ų427%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-134.5126.9176.6-177.470.6000108.5H173 T175 M195 L202 V238 I240H173-L229 HydrophobicContact CB-CB 3.99Å; T175-L229 HydrophobicContact CG2-CD2 4.25Å; T175-L229 HydrophobicContact CG2-CG 4.44Å; M195-L229 HydrophobicContact CB-CD2 4.36Å; M195-L229 HydrophobicContact CG-CD2 4.08Å; M195-L229 HydrophobicContact SD-CD1 4.29Å; M195-L229 HydrophobicContact SD-CD2 4.43Å; L202-L229 HydrophobicContact CD1-CD1 4.18Å; L202-L229 HydrophobicContact CD1-CD2 4.11Å; L229-V238 HydrophobicContact CD1-CG1 3.51Å; L229-V238 HydrophobicContact CG-CG1 4.5Å; L229-I240 HydrophobicContact CD1-CD1 4.28Å; L229-I240 HydrophobicContact CD1-CG1 3.75Å
230S94.6Very high87.8Confident13 Ų1341.5 Ų41.59%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-144.9141-178.1-165.80000111.6V238 A239 M289 W291S230-V238 WeakPolarHBondContact O-CA 3.46Å; S230-A239 PolarHBondContact N-O 3Å; S230-A239 PolarHBondContact O-N 3.37Å; S230-M289 VanDerWaalsContact CB-O 3.26Å; S230-M289 WeakPolarHBondContact CB-O 3.4Å; S230-M289 PolarHBondContact OG-O 3.47Å; S230-W291 PolarHBondContact O-NE1 3.03Å; S230-W291 VanDerWaalsContact O-NE1 3.12Å
231I94.1Very high88.9Confident12 Ų1229.4 Ų29.46%0.06218%0.177CC..EExtended strand (participates in β ladder)trans-107140.8-179.7-167.9163.6000111T175 V177 M235 F237 T252T175-I231 HydrophobicContact CG2-CB 4.2Å; T175-I231 HydrophobicContact CG2-CG2 4.27Å; V177-I231 HydrophobicContact CB-CD1 4.04Å; V177-I231 HydrophobicContact CG1-CD1 3.65Å; V177-I231 HydrophobicContact CG2-CD1 3.41Å; V177-I231 VanDerWaalsContact CG2-CD1 3.41Å; I231-M235 HydrophobicContact CB-SD 4.32Å; I231-M235 HydrophobicContact CD1-CB 4.06Å; I231-M235 HydrophobicContact CD1-SD 3.66Å; I231-M235 HydrophobicContact CG1-CB 4.49Å; I231-M235 HydrophobicContact CG1-SD 3.81Å; I231-M235 HydrophobicContact CG2-CE 4.39Å; I231-M235 HydrophobicContact CG2-SD 3.58Å; I231-M235 VanDerWaalsContact CG2-SD 3.58Å; I231-F237 WeakPolarHBondContact CG1-O 3.48Å; I231-T252 HydrophobicContact CD1-CG2 3.98Å
232S94Very high90.1Very high1 Ų128.3 Ų28.31%0.00717%0.169CC..  trans-64.8160.8179.153.50000112.9N234 M235 Q236 F237S232-N234 VanDerWaalsContact C-N 3.29Å; S232-N234 PolarHBondContact O-N 3.33Å; S232-N234 PolarHBondContact OG-OD1 3.49Å; S232-M235 WeakPolarHBondContact O-CA 3.3Å; S232-M235 PolarHBondContact O-N 3.05Å; S232-Q236 PolarHBondContact OG-N 2.78Å; S232-F237 WeakPolarHBondContact CB-O 3.32Å; S232-F237 PolarHBondContact N-O 3.4Å; S232-F237 WeakPolarHBondContact OG-CA 3.14Å; S232-F237 WeakPolarHBondContact OG-CB 3.45Å; S232-F237 PolarHBondContact OG-N 2.88Å; S232-F237 PolarHBondContact OG-O 2.95Å
233L89.3Confident91.5Very high63 Ų6327.9 Ų27.933%0.3316%0.16SC..THydrogen-bonded Turntrans-61-36-175.7-68.6167.3000113M235 N294 Q327L233-M235 PolarHBondContact O-N 3.27Å; L233-N294 PolarHBondContact N-OD1 3.43Å; L233-Q327 HydrophobicContact CD2-CG 4.02Å
234N89.9Confident92.2Very high47 Ų4727.7 Ų27.725%0.25115%0.148SC..THydrogen-bonded Turntrans-83.12174.469.2-6.2000113.6S232 Q236 N294S232-N234 VanDerWaalsContact C-N 3.29Å; S232-N234 PolarHBondContact O-N 3.33Å; S232-N234 PolarHBondContact OG-OD1 3.49Å; N234-Q236 HydrophobicContact CB-CG 4.48Å; N234-Q236 PolarHBondContact ND2-OE1 3.08Å; N234-Q236 PolarHBondContact O-N 2.87Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.43Å; N234-Q236 PolarHBondContact OD1-N 3.16Å; N234-Q236 VanDerWaalsContact OD1-N 3.09Å; N234-N294 VanDerWaalsContact CG-CG 3.43Å; N234-N294 PolarHBondContact N-OD1 2.83Å; N234-N294 VanDerWaalsContact N-OD1 3.13Å; N234-N294 PolarHBondContact ND2-ND2 2.98Å; N234-N294 PolarHBondContact OD1-OD1 3.1Å
235M92.2Very high92.3Very high42 Ų4226.4 Ų26.421%0.20714%0.139CC..SBendtrans6023.6-178.6-54.7-69.1177.500114.8V177 T179 I231 S232 L233 T252V177-M235 HydrophobicContact CG1-CB 4.21Å; T179-M235 HydrophobicContact CG2-CB 3.69Å; T179-M235 HydrophobicContact CG2-CG 4.12Å; T179-M235 WeakPolarHBondContact OG1-CB 3.4Å; I231-M235 HydrophobicContact CB-SD 4.32Å; I231-M235 HydrophobicContact CD1-CB 4.06Å; I231-M235 HydrophobicContact CD1-SD 3.66Å; I231-M235 HydrophobicContact CG1-CB 4.49Å; I231-M235 HydrophobicContact CG1-SD 3.81Å; I231-M235 HydrophobicContact CG2-CE 4.39Å; I231-M235 HydrophobicContact CG2-SD 3.58Å; I231-M235 VanDerWaalsContact CG2-SD 3.58Å; S232-M235 WeakPolarHBondContact O-CA 3.3Å; S232-M235 PolarHBondContact O-N 3.05Å; L233-M235 PolarHBondContact O-N 3.27Å; M235-T252 VanDerWaalsContact O-CG2 3.24Å; M235-T252 WeakPolarHBondContact O-CG2 3.4Å
236Q91.3Very high92.5Very high108 Ų10824.3 Ų24.351%0.50513%0.127SC..SBendtrans-103.2-25.8-178-67179.7-15.900113.9S232 N234 N251 T252S232-Q236 PolarHBondContact OG-N 2.78Å; N234-Q236 HydrophobicContact CB-CG 4.48Å; N234-Q236 PolarHBondContact ND2-OE1 3.08Å; N234-Q236 PolarHBondContact O-N 2.87Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.43Å; N234-Q236 PolarHBondContact OD1-N 3.16Å; N234-Q236 VanDerWaalsContact OD1-N 3.09Å; Q236-N251 CarbonylContact O-C 3.6Å; Q236-N251 WeakPolarHBondContact O-CA 3.25Å; Q236-T252 PolarHBondContact O-N 2.95Å; Q236-T252 PolarHBondContact O-OG1 3.5Å
237F93.6Very high92.6Very high42 Ų4224.1 Ų24.118%0.18413%0.126CC..EExtended strand (participates in β ladder)trans-118.2149.8-179.7-50.9-75.5000112.2I231 S232 T250 H258 W291 N294I231-F237 WeakPolarHBondContact CG1-O 3.48Å; S232-F237 WeakPolarHBondContact CB-O 3.32Å; S232-F237 PolarHBondContact N-O 3.4Å; S232-F237 WeakPolarHBondContact OG-CA 3.14Å; S232-F237 WeakPolarHBondContact OG-CB 3.45Å; S232-F237 PolarHBondContact OG-N 2.88Å; S232-F237 PolarHBondContact OG-O 2.95Å; F237-T250 CarbonylContact C-O 3.58Å; F237-T250 VanDerWaalsContact CA-O 3.26Å; F237-T250 WeakPolarHBondContact CA-O 3.41Å; F237-H258 AromaticContact CD1-NE2 3.93Å; F237-H258 AromaticContact CE1-CD2 3.75Å; F237-H258 AromaticContact CE1-CE1 3.84Å; F237-H258 AromaticContact CE1-NE2 3.31Å; F237-H258 VanDerWaalsContact CE1-NE2 3.31Å; F237-H258 WeakPolarHBondContact CE1-NE2 3.41Å; F237-W291 HydrophobicContact CB-CH2 3.51Å; F237-W291 HydrophobicContact CB-CZ2 3.86Å; F237-W291 HydrophobicContact CB-CZ3 4.36Å; F237-W291 HydrophobicContact CG-CH2 4.46Å; F237-N294 HydrophobicContact CD2-CB 4.39Å; F237-N294 HydrophobicContact CE2-CB 4.42Å
238V94.5Very high92.7Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-126.5133.9179.2-176.60000108.7M195 L229 S230 I240 I249 T250 T252 F254M195-V238 HydrophobicContact CE-CG2 3.91Å; M195-V238 HydrophobicContact SD-CG1 3.99Å; M195-V238 HydrophobicContact SD-CG2 4.05Å; L229-V238 HydrophobicContact CD1-CG1 3.51Å; L229-V238 HydrophobicContact CG-CG1 4.5Å; S230-V238 WeakPolarHBondContact O-CA 3.46Å; V238-I240 HydrophobicContact CG1-CG1 4.1Å; V238-I249 WeakPolarHBondContact O-CA 3.18Å; V238-T250 HydrophobicContact CB-CG2 4.23Å; V238-T250 PolarHBondContact N-O 3.48Å; V238-T250 PolarHBondContact O-N 2.86Å; V238-T252 HydrophobicContact CG2-CG2 3.72Å; V238-F254 HydrophobicContact CB-CZ 4.36Å; V238-F254 HydrophobicContact CG1-CZ 4.31Å; V238-F254 HydrophobicContact CG2-CZ 4.39Å
239A94.8Very high92.7Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-105.713717200000109.2S230 L247 L248 M289 W291 V297S230-A239 PolarHBondContact N-O 3Å; S230-A239 PolarHBondContact O-N 3.37Å; A239-L247 HydrophobicContact CB-CD1 4.41Å; A239-L248 CarbonylContact C-O 3.41Å; A239-L248 VanDerWaalsContact CA-O 3.3Å; A239-L248 WeakPolarHBondContact CA-O 3.43Å; A239-M289 VanDerWaalsContact C-CE 3.44Å; A239-M289 HydrophobicContact CB-CE 3.75Å; A239-M289 HydrophobicContact CB-SD 3.65Å; A239-M289 WeakPolarHBondContact O-CE 3.27Å; A239-W291 HydrophobicContact CB-CZ2 3.74Å; A239-V297 HydrophobicContact CB-CG1 4.38Å; A239-V297 HydrophobicContact CB-CG2 3.9Å
240I94.5Very high92.6Very high0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-132.2119.9-178.2-56.2179.7000108.2L202 L215 I226 L228 L229 V238 L242 L247 L248 F254L202-I240 HydrophobicContact CD2-CD1 3.86Å; L215-I240 HydrophobicContact CD2-CD1 4.07Å; I226-I240 HydrophobicContact CB-CG2 4.48Å; I226-I240 HydrophobicContact CD1-CG2 4.38Å; I226-I240 HydrophobicContact CG1-CG2 3.96Å; I226-I240 HydrophobicContact CG2-CG2 3.9Å; L228-I240 WeakPolarHBondContact O-CA 3.47Å; L229-I240 HydrophobicContact CD1-CD1 4.28Å; L229-I240 HydrophobicContact CD1-CG1 3.75Å; V238-I240 HydrophobicContact CG1-CG1 4.1Å; I240-L242 HydrophobicContact CG2-CD2 3.92Å; I240-L247 WeakPolarHBondContact O-CA 3.25Å; I240-L248 HydrophobicContact CB-CB 4.29Å; I240-L248 PolarHBondContact N-O 3.28Å; I240-L248 PolarHBondContact O-N 3.27Å; I240-F254 HydrophobicContact CD1-CE1 3.81Å; I240-F254 HydrophobicContact CD1-CZ 4.38Å
241Y94Very high92.5Very high0 Ų022.3 Ų22.30%011%0.114CC..EExtended strand (participates in β ladder)trans-105133173.3-178.6-98.2000110C227 L228 E246 L247 L263 H285 P286 L299C227-Y241 HydrophobicContact CB-CD1 3.66Å; C227-Y241 HydrophobicContact CB-CE1 4.2Å; C227-Y241 WeakPolarHBondContact CB-O 3.39Å; C227-Y241 PolarHBondContact N-O 3.09Å; L228-Y241 PolarHBondContact N-O 3.49Å; L228-Y241 PolarHBondContact O-N 3.41Å; Y241-E246 WeakPolarHBondContact CA-O 3.45Å; Y241-L247 HydrophobicContact CD2-CB 4.36Å; Y241-L263 HydrophobicContact CD2-CD1 4.23Å; Y241-L263 HydrophobicContact CE2-CD1 3.85Å; Y241-H285 HydrophobicContact CE1-CB 4.15Å; Y241-H285 AromaticContact CE1-ND1 3.43Å; Y241-H285 WeakPolarHBondContact CE1-ND1 3.28Å; Y241-H285 AromaticContact CZ-ND1 3.89Å; Y241-H285 PolarHBondContact OH-ND1 3.29Å; Y241-P286 HydrophobicContact CD1-CG 3.84Å; Y241-P286 HydrophobicContact CD2-CG 4.4Å; Y241-P286 HydrophobicContact CE1-CG 3.74Å; Y241-P286 HydrophobicContact CE2-CG 4.28Å; Y241-P286 HydrophobicContact CG-CG 4.17Å; Y241-P286 VanDerWaalsContact CZ-CD 3.4Å; Y241-L299 HydrophobicContact CD2-CD1 4.26Å; Y241-L299 HydrophobicContact CE2-CD1 4.45Å
242L92.9Very high92.4Very high4 Ų422.5 Ų22.52%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-107.5156.7-172.2-63.4-178.9000112.3D225 I226 I240 N244 G245 E246 L248D225-L242 CarbonylContact O-C 3.59Å; D225-L242 WeakPolarHBondContact O-CA 3.25Å; I226-L242 HydrophobicContact CG1-CD2 3.9Å; I240-L242 HydrophobicContact CG2-CD2 3.92Å; L242-N244 WeakPolarHBondContact CB-OD1 3.25Å; L242-N244 PolarHBondContact O-N 3.17Å; L242-N244 VanDerWaalsContact O-N 3.17Å; L242-G245 PolarHBondContact O-N 3.25Å; L242-E246 HydrophobicContact CD1-CB 4.34Å; L242-E246 PolarHBondContact N-O 2.9Å; L242-L248 HydrophobicContact CD1-CD1 3.99Å; L242-L248 HydrophobicContact CD1-CG 4.46Å
243T90.8Very high92.1Very high51 Ų5127.7 Ų27.731%0.31314%0.135SC..THydrogen-bonded Turntrans-62.9-17.4177.3500000114.5D225 C227 G245 H285D225-T243 HydrophobicContact CB-CG2 3.78Å; D225-T243 PolarHBondContact N-OG1 2.99Å; D225-T243 VanDerWaalsContact N-OG1 3.13Å; D225-T243 PolarHBondContact O-N 3.23Å; C227-T243 WeakPolarHBondContact SG-CG2 3.31Å; T243-G245 VanDerWaalsContact C-N 3.27Å; T243-H285 PolarHBondContact O-CE1 3.24Å
244N89.4Confident92.2Very high42 Ų4225.8 Ų25.823%0.22512%0.124CC..THydrogen-bonded Turntrans-83.40.7173.764.1-8.4000113.2S224 L242 E246 T264 L283S224-N244 WeakPolarHBondContact OG-CB 3.41Å; S224-N244 PolarHBondContact OG-ND2 3.49Å; L242-N244 WeakPolarHBondContact CB-OD1 3.25Å; L242-N244 PolarHBondContact O-N 3.17Å; L242-N244 VanDerWaalsContact O-N 3.17Å; N244-E246 PolarHBondContact ND2-OE2 2.93Å; N244-E246 WeakPolarHBondContact OD1-CB 3.46Å; N244-E246 PolarHBondContact OD1-N 3.43Å; N244-T264 WeakPolarHBondContact O-CG2 3.35Å; N244-L283 VanDerWaalsContact C-CD1 3.47Å; N244-L283 WeakPolarHBondContact O-CD1 3.4Å
245G90.3Very high92.1Very high0 Ų028.5 Ų28.50%014%0.142CC..SBendtrans89.66.9-179.600000114.6L242 T243 L263L242-G245 PolarHBondContact O-N 3.25Å; T243-G245 VanDerWaalsContact C-N 3.27Å; G245-L263 VanDerWaalsContact O-CB 3.24Å; G245-L263 WeakPolarHBondContact O-CB 3.48Å; G245-L263 PolarHBondContact O-N 3.28Å
246E92Very high91.9Very high24 Ų2431.8 Ų31.811%0.11216%0.157CC..EExtended strand (participates in β ladder)trans-88.4143.1177.3-63.9178.8152.400112.2S221 Y241 L242 N244 H260 I261S221-E246 WeakPolarHBondContact CB-OE2 3.44Å; S221-E246 PolarHBondContact OG-OE1 3.34Å; S221-E246 PolarHBondContact OG-OE2 2.93Å; Y241-E246 WeakPolarHBondContact CA-O 3.45Å; L242-E246 HydrophobicContact CD1-CB 4.34Å; L242-E246 PolarHBondContact N-O 2.9Å; N244-E246 PolarHBondContact ND2-OE2 2.93Å; N244-E246 WeakPolarHBondContact OD1-CB 3.46Å; N244-E246 PolarHBondContact OD1-N 3.43Å; E246-H260 IonicContact OE1-CE1 3.55Å; E246-H260 IonicContact OE1-NE2 3.53Å; E246-H260 PolarHBondContact OE1-NE2 3.37Å; E246-H260 VanDerWaalsContact OE1-NE2 3.16Å; E246-H260 IonicContact OE2-NE2 3.24Å; E246-H260 PolarHBondContact OE2-NE2 3.24Å; E246-I261 CarbonylContact C-O 3.49Å; E246-I261 VanDerWaalsContact CA-O 3.29Å; E246-I261 WeakPolarHBondContact CA-O 3.48Å
247L93.7Very high91.8Very high0 Ų029.1 Ų29.10%015%0.146CC..EExtended strand (participates in β ladder)trans-112.7126.9170.4178.869.1000109.7A239 I240 Y241 I261 L263 M289 I308A239-L247 HydrophobicContact CB-CD1 4.41Å; I240-L247 WeakPolarHBondContact O-CA 3.25Å; Y241-L247 HydrophobicContact CD2-CB 4.36Å; L247-I261 HydrophobicContact CB-CB 4.36Å; L247-I261 HydrophobicContact CD2-CD1 4.41Å; L247-I261 PolarHBondContact N-O 3.47Å; L247-I261 PolarHBondContact O-N 2.89Å; L247-L263 HydrophobicContact CB-CD1 4.07Å; L247-M289 HydrophobicContact CD1-SD 3.68Å; L247-I308 HydrophobicContact CD2-CB 4.28Å; L247-I308 HydrophobicContact CD2-CD1 3.53Å; L247-I308 HydrophobicContact CD2-CG1 4.49Å; L247-I308 HydrophobicContact CD2-CG2 3.97Å
248L93.1Very high91.5Very high4 Ų430.5 Ų30.52%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-111.9134.8176.2-52.2174.2000109.3T219 A239 I240 L242 L257 S259 H260T219-L248 HydrophobicContact CG2-CD1 3.78Å; A239-L248 CarbonylContact C-O 3.41Å; A239-L248 VanDerWaalsContact CA-O 3.3Å; A239-L248 WeakPolarHBondContact CA-O 3.43Å; I240-L248 HydrophobicContact CB-CB 4.29Å; I240-L248 PolarHBondContact N-O 3.28Å; I240-L248 PolarHBondContact O-N 3.27Å; L242-L248 HydrophobicContact CD1-CD1 3.99Å; L242-L248 HydrophobicContact CD1-CG 4.46Å; L248-L257 HydrophobicContact CB-CD1 4.14Å; L248-L257 HydrophobicContact CD2-CD1 4.22Å; L248-S259 WeakPolarHBondContact CA-O 3.24Å; L248-H260 HydrophobicContact CD2-CB 4.1Å; L248-H260 WeakPolarHBondContact CD2-CD2 3.41Å
249I93.5Very high91.3Very high4 Ų430.9 Ų30.92%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-118.6126.6169.4-57.9177.7000107.8V238 H258 S259 W291 V297V238-I249 WeakPolarHBondContact O-CA 3.18Å; I249-H258 HydrophobicContact CB-CB 4.49Å; I249-H258 HydrophobicContact CG2-CB 4.18Å; I249-H258 WeakPolarHBondContact O-CB 3.43Å; I249-H258 PolarHBondContact O-N 3.19Å; I249-S259 PolarHBondContact N-O 3.06Å; I249-S259 PolarHBondContact O-N 3.37Å; I249-S259 VanDerWaalsContact O-N 3.17Å; I249-W291 HydrophobicContact CG2-CH2 3.62Å; I249-W291 HydrophobicContact CG2-CZ2 4.33Å; I249-W291 HydrophobicContact CG2-CZ3 4.5Å; I249-V297 HydrophobicContact CD1-CG2 4.04Å
250T92.7Very high91.1Very high2 Ų234.6 Ų34.61%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-142.2165.5-175.6-176.20000110.5F237 V238 F254 E256F237-T250 CarbonylContact C-O 3.58Å; F237-T250 VanDerWaalsContact CA-O 3.26Å; F237-T250 WeakPolarHBondContact CA-O 3.41Å; V238-T250 HydrophobicContact CB-CG2 4.23Å; V238-T250 PolarHBondContact N-O 3.48Å; V238-T250 PolarHBondContact O-N 2.86Å; T250-F254 HydrophobicContact CG2-CD1 3.65Å; T250-F254 HydrophobicContact CG2-CE1 3.43Å; T250-F254 VanDerWaalsContact CG2-CE1 3.43Å; T250-F254 HydrophobicContact CG2-CG 4.49Å; T250-F254 HydrophobicContact CG2-CZ 4.11Å; T250-E256 WeakPolarHBondContact CA-O 3.31Å; T250-E256 PolarHBondContact OG1-O 3.41Å
251N92.1Very high91Very high23 Ų2335 Ų3512%0.12318%0.175CC..EExtended strand (participates in β ladder)trans-77.4161.9170.3680.3000111.6Q236 R253 F254 T255 E256Q236-N251 CarbonylContact O-C 3.6Å; Q236-N251 WeakPolarHBondContact O-CA 3.25Å; N251-R253 PolarHBondContact O-N 3.47Å; N251-R253 VanDerWaalsContact O-N 3.14Å; N251-F254 PolarHBondContact O-N 3.05Å; N251-F254 WeakPolarHBondContact OD1-CA 3.46Å; N251-F254 PolarHBondContact OD1-N 3.35Å; N251-T255 PolarHBondContact ND2-OG1 3.23Å; N251-T255 PolarHBondContact OD1-N 2.96Å; N251-E256 PolarHBondContact N-O 3.35Å; N251-E256 PolarHBondContact OD1-N 3.44Å
252T91.3Very high90.9Very high15 Ų1539.2 Ų39.29%0.09220%0.198CC..THydrogen-bonded Turntrans-64.2-17.5179.146.50000114.3I231 M235 Q236 V238 F254I231-T252 HydrophobicContact CD1-CG2 3.98Å; M235-T252 VanDerWaalsContact O-CG2 3.24Å; M235-T252 WeakPolarHBondContact O-CG2 3.4Å; Q236-T252 PolarHBondContact O-N 2.95Å; Q236-T252 PolarHBondContact O-OG1 3.5Å; V238-T252 HydrophobicContact CG2-CG2 3.72Å; T252-F254 WeakPolarHBondContact O-CD2 3.37Å
253R89.3Confident90.8Very high111 Ų11139.2 Ų39.242%0.41920%0.197SC..THydrogen-bonded Turntrans-82-14.4173.4-68.7-177.9172.4135.51.3113.5L181 E182 N251 T255L181-R253 HydrophobicContact CD1-CG 3.76Å; E182-R253 PolarHBondContact O-NE 3Å; E182-R253 IonicContact OE2-CZ 2.76Å; E182-R253 IonicContact OE2-NH2 2.66Å; E182-R253 PolarHBondContact OE2-NH2 3.31Å; N251-R253 PolarHBondContact O-N 3.47Å; N251-R253 VanDerWaalsContact O-N 3.14Å; R253-T255 HydrophobicContact CB-CG2 3.93Å; R253-T255 PolarHBondContact O-N 2.91Å
254F90Very high90.7Very high22 Ų2238.2 Ų38.210%0.09619%0.192CC..SBendtrans56.534.4-173.9-65.8-95.4000113.8M195 L202 I213 L215 L218 V238 I240 T250 N251 T252M195-F254 HydrophobicContact CE-CE2 3.55Å; M195-F254 HydrophobicContact CE-CZ 4.03Å; M195-F254 HydrophobicContact SD-CE2 3.72Å; M195-F254 HydrophobicContact SD-CZ 3.57Å; M195-F254 VanDerWaalsContact SD-CZ 3.57Å; L202-F254 HydrophobicContact CD2-CD1 4.3Å; L202-F254 HydrophobicContact CD2-CE1 3.4Å; L202-F254 HydrophobicContact CD2-CE2 4.18Å; L202-F254 HydrophobicContact CD2-CZ 3.34Å; I213-F254 HydrophobicContact CD1-CD2 3.67Å; I213-F254 HydrophobicContact CD1-CE2 3.55Å; I213-F254 HydrophobicContact CD1-CG 4.41Å; I213-F254 HydrophobicContact CD1-CZ 4.21Å; I213-F254 HydrophobicContact CG2-CB 3.78Å; I213-F254 HydrophobicContact CG2-CD1 3.69Å; I213-F254 HydrophobicContact CG2-CD2 3.83Å; I213-F254 HydrophobicContact CG2-CE1 4.24Å; I213-F254 HydrophobicContact CG2-CE2 4.36Å; I213-F254 HydrophobicContact CG2-CG 3.47Å; I213-F254 VanDerWaalsContact CG2-CG 3.47Å; L215-F254 HydrophobicContact CD2-CD1 4.14Å; L215-F254 HydrophobicContact CD2-CE1 4.14Å; L218-F254 HydrophobicContact CD1-CB 3.96Å; L218-F254 HydrophobicContact CD1-CD1 3.82Å; L218-F254 HydrophobicContact CD1-CG 4.4Å; V238-F254 HydrophobicContact CB-CZ 4.36Å; V238-F254 HydrophobicContact CG1-CZ 4.31Å; V238-F254 HydrophobicContact CG2-CZ 4.39Å; I240-F254 HydrophobicContact CD1-CE1 3.81Å; I240-F254 HydrophobicContact CD1-CZ 4.38Å; T250-F254 HydrophobicContact CG2-CD1 3.65Å; T250-F254 HydrophobicContact CG2-CE1 3.43Å; T250-F254 VanDerWaalsContact CG2-CE1 3.43Å; T250-F254 HydrophobicContact CG2-CG 4.49Å; T250-F254 HydrophobicContact CG2-CZ 4.11Å; N251-F254 PolarHBondContact O-N 3.05Å; N251-F254 WeakPolarHBondContact OD1-CA 3.46Å; N251-F254 PolarHBondContact OD1-N 3.35Å; T252-F254 WeakPolarHBondContact O-CD2 3.37Å
255T88.3Confident90.5Very high104 Ų10442.9 Ų42.964%0.63821%0.212SC*.SBendtrans-96.5-21.5176.959.70000112.5N251 R253N251-T255 PolarHBondContact ND2-OG1 3.23Å; N251-T255 PolarHBondContact OD1-N 2.96Å; R253-T255 HydrophobicContact CB-CG2 3.93Å; R253-T255 PolarHBondContact O-N 2.91Å
256E87.8Confident90.4Very high111 Ų11147.3 Ų47.352%0.51923%0.229SC..  trans-140.5118-172.3-177178.4-169.700110.9T250 N251 H258T250-E256 WeakPolarHBondContact CA-O 3.31Å; T250-E256 PolarHBondContact OG1-O 3.41Å; N251-E256 PolarHBondContact N-O 3.35Å; N251-E256 PolarHBondContact OD1-N 3.44Å; E256-H258 PolarHBondContact O-N 2.69Å; E256-H258 PolarHBondContact O-ND1 3.31Å; E256-H258 IonicContact OE2-CE1 3.71Å; E256-H258 IonicContact OE2-NE2 3.09Å
257L89.1Confident89.8Confident53 Ų5351.5 Ų51.528%0.27725%0.251SS..EExtended strand (participates in β ladder)trans-81.4113.1170.1-174.372.9000108.9L218 L248 H260L218-L257 HydrophobicContact CD2-CB 4.28Å; L218-L257 WeakPolarHBondContact O-CD2 3.45Å; L248-L257 HydrophobicContact CB-CD1 4.14Å; L248-L257 HydrophobicContact CD2-CD1 4.22Å; L257-H260 HydrophobicContact CD2-CB 3.86Å
258H88Confident89.3Confident71 Ų7151.6 Ų51.633%0.32925%0.251SS..EExtended strand (participates in β ladder)trans-82.8-36.8-178.1-70.560.1000111.9F237 I249 E256F237-H258 AromaticContact CD1-NE2 3.93Å; F237-H258 AromaticContact CE1-CD2 3.75Å; F237-H258 AromaticContact CE1-CE1 3.84Å; F237-H258 AromaticContact CE1-NE2 3.31Å; F237-H258 VanDerWaalsContact CE1-NE2 3.31Å; F237-H258 WeakPolarHBondContact CE1-NE2 3.41Å; I249-H258 HydrophobicContact CB-CB 4.49Å; I249-H258 HydrophobicContact CG2-CB 4.18Å; I249-H258 WeakPolarHBondContact O-CB 3.43Å; I249-H258 PolarHBondContact O-N 3.19Å; E256-H258 PolarHBondContact O-N 2.69Å; E256-H258 PolarHBondContact O-ND1 3.31Å; E256-H258 IonicContact OE2-CE1 3.71Å; E256-H258 IonicContact OE2-NE2 3.09Å
259S89.4Confident88.9Confident7 Ų751.4 Ų51.45%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-152.2141.7-180-164.50000111L248 I249 I261 A310 S312L248-S259 WeakPolarHBondContact CA-O 3.24Å; I249-S259 PolarHBondContact N-O 3.06Å; I249-S259 PolarHBondContact O-N 3.37Å; I249-S259 VanDerWaalsContact O-N 3.17Å; S259-I261 WeakPolarHBondContact OG-CD1 3.22Å; S259-I261 WeakPolarHBondContact OG-CG1 3.36Å; S259-A310 PolarHBondContact OG-O 3.45Å; S259-S312 PolarHBondContact OG-OG 2.94Å
260H91.5Very high88.3Confident78 Ų7855 Ų5536%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-133.4116.3172.3178.8-162.5000108.5E246 L248 L257E246-H260 IonicContact OE1-CE1 3.55Å; E246-H260 IonicContact OE1-NE2 3.53Å; E246-H260 PolarHBondContact OE1-NE2 3.37Å; E246-H260 VanDerWaalsContact OE1-NE2 3.16Å; E246-H260 IonicContact OE2-NE2 3.24Å; E246-H260 PolarHBondContact OE2-NE2 3.24Å; L248-H260 HydrophobicContact CD2-CB 4.1Å; L248-H260 WeakPolarHBondContact CD2-CD2 3.41Å; L257-H260 HydrophobicContact CD2-CB 3.86Å
261I91.7Very high87.1Confident9 Ų958.5 Ų58.55%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-128.1124-167.5-58.9166.4000108.7E246 L247 S259 L263 I308 S312 I314E246-I261 CarbonylContact C-O 3.49Å; E246-I261 VanDerWaalsContact CA-O 3.29Å; E246-I261 WeakPolarHBondContact CA-O 3.48Å; L247-I261 HydrophobicContact CB-CB 4.36Å; L247-I261 HydrophobicContact CD2-CD1 4.41Å; L247-I261 PolarHBondContact N-O 3.47Å; L247-I261 PolarHBondContact O-N 2.89Å; S259-I261 WeakPolarHBondContact OG-CD1 3.22Å; S259-I261 WeakPolarHBondContact OG-CG1 3.36Å; I261-L263 HydrophobicContact CG2-CD2 3.76Å; I261-L263 HydrophobicContact CG2-CG 4.11Å; I261-I308 HydrophobicContact CD1-CG2 3.24Å; I261-S312 WeakPolarHBondContact CG1-OG 3.46Å; I261-I314 HydrophobicContact CG2-CD1 3.84Å
262D91.2Very high85.4Confident89 Ų8965.6 Ų65.648%0.47632%0.321SS..EExtended strand (participates in β ladder)trans-89.2116.7170.9-178.61.4000109.9T264D262-T264 VanDerWaalsContact CG-OG1 3.29Å; D262-T264 VanDerWaalsContact OD1-CB 3.26Å; D262-T264 WeakPolarHBondContact OD1-CB 3.11Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.44Å; D262-T264 PolarHBondContact OD1-N 2.68Å; D262-T264 PolarHBondContact OD1-OG1 2.97Å; D262-T264 PolarHBondContact OD2-OG1 3.37Å
263L91.9Very high83.6Confident3 Ų370.7 Ų70.72%0.01635%0.347CS..  trans-100.72.3179-57.7167.5000112.8Y241 G245 L247 I261 Q265 R266 V269 L299 I308 I314Y241-L263 HydrophobicContact CD2-CD1 4.23Å; Y241-L263 HydrophobicContact CE2-CD1 3.85Å; G245-L263 VanDerWaalsContact O-CB 3.24Å; G245-L263 WeakPolarHBondContact O-CB 3.48Å; G245-L263 PolarHBondContact O-N 3.28Å; L247-L263 HydrophobicContact CB-CD1 4.07Å; I261-L263 HydrophobicContact CG2-CD2 3.76Å; I261-L263 HydrophobicContact CG2-CG 4.11Å; L263-Q265 PolarHBondContact O-N 3.48Å; L263-Q265 VanDerWaalsContact O-N 3.12Å; L263-R266 HydrophobicContact CB-CG 4.31Å; L263-R266 HydrophobicContact CD2-CG 3.97Å; L263-R266 VanDerWaalsContact O-CB 3.27Å; L263-R266 WeakPolarHBondContact O-CB 2.81Å; L263-R266 PolarHBondContact O-N 2.98Å; L263-V269 HydrophobicContact CB-CG2 3.79Å; L263-V269 WeakPolarHBondContact O-CB 3.27Å; L263-V269 WeakPolarHBondContact O-CG2 3.48Å; L263-L299 HydrophobicContact CD1-CD1 3.46Å; L263-L299 VanDerWaalsContact CD1-CD1 3.46Å; L263-I308 HydrophobicContact CD1-CD1 3.88Å; L263-I308 HydrophobicContact CD2-CD1 4.01Å; L263-I314 HydrophobicContact CD2-CD1 3.38Å; L263-I314 HydrophobicContact CD2-CG1 4.42Å
264T88.1Confident81.7Confident31 Ų3172.9 Ų72.919%0.1937%0.368CS..THydrogen-bonded Turntrans-58.4-29.9-17656.80000113.6N244 D262 R266 M270 L283N244-T264 WeakPolarHBondContact O-CG2 3.35Å; D262-T264 VanDerWaalsContact CG-OG1 3.29Å; D262-T264 VanDerWaalsContact OD1-CB 3.26Å; D262-T264 WeakPolarHBondContact OD1-CB 3.11Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.44Å; D262-T264 PolarHBondContact OD1-N 2.68Å; D262-T264 PolarHBondContact OD1-OG1 2.97Å; D262-T264 PolarHBondContact OD2-OG1 3.37Å; T264-R266 VanDerWaalsContact C-N 3.33Å; T264-M270 WeakPolarHBondContact O-CG 3.16Å; T264-L283 HydrophobicContact CG2-CD1 4.21Å; T264-L283 HydrophobicContact CG2-CD2 4.42Å
265Q85.4Confident79.8Confident140 Ų14078.7 Ų78.765%0.65440%0.399SS*.THydrogen-bonded Turntrans-87.20.7179-58.6-59-34.100113.9L263 M270L263-Q265 PolarHBondContact O-N 3.48Å; L263-Q265 VanDerWaalsContact O-N 3.12Å; Q265-M270 VanDerWaalsContact CA-CE 3.49Å; Q265-M270 HydrophobicContact CB-CE 4.24Å
266R88.7Confident77.4Confident92 Ų9278.8 Ų78.835%0.34740%0.404SS..SBendtrans-86143.4-178.1-67.1-62.6-169.1175.3-3111.5L263 T264 S268 V269 M270 I314 E316L263-R266 HydrophobicContact CB-CG 4.31Å; L263-R266 HydrophobicContact CD2-CG 3.97Å; L263-R266 VanDerWaalsContact O-CB 3.27Å; L263-R266 WeakPolarHBondContact O-CB 2.81Å; L263-R266 PolarHBondContact O-N 2.98Å; T264-R266 VanDerWaalsContact C-N 3.33Å; R266-S268 PolarHBondContact O-N 3.45Å; R266-V269 PolarHBondContact O-N 3.21Å; R266-M270 WeakPolarHBondContact O-CG 3.43Å; R266-M270 PolarHBondContact O-N 3.48Å; R266-I314 HydrophobicContact CG-CD1 4.46Å; R266-I314 VanDerWaalsContact NE-CD1 3.28Å; R266-E316 WeakPolarHBondContact CB-OE1 3.38Å
267I80.3Confident75.2Confident113 Ų11380.9 Ų80.958%0.57942%0.419SS*.THydrogen-bonded Turntrans-57.7-35.1179.6-62.1170.9000110.6V269 F318I267-V269 PolarHBondContact O-N 3.08Å; I267-F318 HydrophobicContact CG2-CZ 4.14Å
268S82.4Confident72.9Confident1 Ų183.2 Ų83.21%0.00744%0.44CS..THydrogen-bonded Turntrans-57.3-35175.9-55.10000113.8R266 N284 W301 L304 E316R266-S268 PolarHBondContact O-N 3.45Å; S268-N284 PolarHBondContact O-ND2 3.37Å; S268-W301 PolarHBondContact O-NE1 2.92Å; S268-L304 WeakPolarHBondContact OG-CD2 3.48Å; S268-E316 WeakPolarHBondContact CB-OE1 3.29Å; S268-E316 PolarHBondContact OG-OE1 2.92Å
269V84.8Confident71.1Confident1 Ų185.1 Ų85.11%0.00647%0.468CS..THydrogen-bonded Turntrans-99.5-29.9-172.4-175.90000111.6L263 R266 I267 L271 L283 N284 W301L263-V269 HydrophobicContact CB-CG2 3.79Å; L263-V269 WeakPolarHBondContact O-CB 3.27Å; L263-V269 WeakPolarHBondContact O-CG2 3.48Å; R266-V269 PolarHBondContact O-N 3.21Å; I267-V269 PolarHBondContact O-N 3.08Å; V269-L271 PolarHBondContact O-N 2.91Å; V269-L283 HydrophobicContact CG1-CB 3.88Å; V269-L283 HydrophobicContact CG1-CD1 4.43Å; V269-L283 HydrophobicContact CG1-CD2 3.84Å; V269-L283 HydrophobicContact CG1-CG 4.24Å; V269-N284 WeakPolarHBondContact O-CB 2.98Å; V269-N284 PolarHBondContact O-N 3.37Å; V269-W301 HydrophobicContact CG2-CH2 4.48Å; V269-W301 HydrophobicContact CG2-CZ2 3.95Å
270M79.5Confident69.2Low79 Ų7991.6 Ų91.639%0.38950%0.502SS..BIsolated β-bridgetrans-67.6120177.6-71-170.4171.400111.5T264 Q265 R266T264-M270 WeakPolarHBondContact O-CG 3.16Å; Q265-M270 VanDerWaalsContact CA-CE 3.49Å; Q265-M270 HydrophobicContact CB-CE 4.24Å; R266-M270 WeakPolarHBondContact O-CG 3.43Å; R266-M270 PolarHBondContact O-N 3.48Å
271L69.1Low67.7Low75 Ų7595.7 Ų95.739%0.39352%0.521SS..  trans-81.6117.7163.3-73.7174.6000108.7V269 N273 K282 N284V269-L271 PolarHBondContact O-N 2.91Å; L271-N273 VanDerWaalsContact C-N 3.29Å; L271-N273 PolarHBondContact O-N 3.44Å; L271-K282 HydrophobicContact CD1-CB 3.89Å; L271-K282 HydrophobicContact CD1-CD 4.12Å; L271-K282 HydrophobicContact CD1-CG 3.85Å; L271-K282 VanDerWaalsContact CD1-O 3.31Å; L271-K282 WeakPolarHBondContact CD1-O 3.42Å; L271-N284 HydrophobicContact CD2-CB 3.85Å; L271-N284 HydrophobicContact CG-CB 3.95Å
272M55.5Low67Low172 Ų172102.7 Ų102.785%0.84755%0.551SS**  trans-67.588.3170.7-71-136.5-17100109.9
273N53.5Low66.7Low123 Ų12399.9 Ų99.966%0.65854%0.536SS*.  trans-90.2112.2166-92.8-5.1000108.7L271 N275L271-N273 VanDerWaalsContact C-N 3.29Å; L271-N273 PolarHBondContact O-N 3.44Å; N273-N275 PolarHBondContact O-N 3.21Å
274N49.8Very low66.6Low157 Ų157102.6 Ų102.684%0.8455%0.55SS**SBendtrans-69.27.8175-76.1-12.8000114.4
275N50.7Low66.7Low143 Ų143104.1 Ų104.177%0.76556%0.556SS**  trans-11394177.8-73.7-9.7000109.9N273 N277N273-N275 PolarHBondContact O-N 3.21Å; N275-N277 PolarHBondContact O-N 3.34Å
276S38Very low67.1Low106 Ų10697.9 Ų97.974%0.74153%0.527SS*.  trans-58.2111.6163.449.20000109.6
277N40.2Very low67.2Low156 Ų15699.2 Ų99.283%0.83454%0.535SS*.  trans144.269.9155.5-73.2-16.4000111.3N275N275-N277 PolarHBondContact O-N 3.34Å
278S41.6Very low67.8Low102 Ų10295.7 Ų95.771%0.71352%0.519SS*.  trans-159.5127161.5-52.50000110.9N280S278-N280 PolarHBondContact O-N 3.05Å
279A48.9Very low68.5Low110 Ų11096.1 Ų96.191%0.90952%0.521SS*.SBendtrans-67.68.9176.400000114.9
280N50.9Low69Low144 Ų14497.7 Ų97.777%0.7753%0.529SS*.  trans-114.173.9176.8-74.1-16.3000109.1S278 K282S278-N280 PolarHBondContact O-N 3.05Å; N280-K282 PolarHBondContact O-N 3.11Å
281Q59.1Low69.8Low163 Ų16394 Ų9476%0.76251%0.511SS*.  trans-64.3103.4169.2-114.4173.7-6.500108.1L283Q281-L283 PolarHBondContact O-N 3.14Å
282K76.4Confident71Confident157 Ų15790.5 Ų90.568%0.68349%0.493SS*.  trans-68.4126.5173.1-168.7177.8-175.5-179.90107.5L271 N280L271-K282 HydrophobicContact CD1-CB 3.89Å; L271-K282 HydrophobicContact CD1-CD 4.12Å; L271-K282 HydrophobicContact CD1-CG 3.85Å; L271-K282 VanDerWaalsContact CD1-O 3.31Å; L271-K282 WeakPolarHBondContact CD1-O 3.42Å; N280-K282 PolarHBondContact O-N 3.11Å
283L84.9Confident72.8Confident30 Ų3083.2 Ų83.216%0.15746%0.458CS..BIsolated β-bridgetrans-90.2145.2178.5-59.7174.6000110N244 T264 V269 Q281N244-L283 VanDerWaalsContact C-CD1 3.47Å; N244-L283 WeakPolarHBondContact O-CD1 3.4Å; T264-L283 HydrophobicContact CG2-CD1 4.21Å; T264-L283 HydrophobicContact CG2-CD2 4.42Å; V269-L283 HydrophobicContact CG1-CB 3.88Å; V269-L283 HydrophobicContact CG1-CD1 4.43Å; V269-L283 HydrophobicContact CG1-CD2 3.84Å; V269-L283 HydrophobicContact CG1-CG 4.24Å; Q281-L283 PolarHBondContact O-N 3.14Å
284N89.8Confident74.5Confident59 Ų5980.3 Ų80.332%0.31644%0.443SS..  trans-85.9104.5171.1-175.529.5000109.4S268 V269 L271 W301S268-N284 PolarHBondContact O-ND2 3.37Å; V269-N284 WeakPolarHBondContact O-CB 2.98Å; V269-N284 PolarHBondContact O-N 3.37Å; L271-N284 HydrophobicContact CD2-CB 3.85Å; L271-N284 HydrophobicContact CG-CB 3.95Å; N284-W301 PolarHBondContact ND2-NE1 3.41Å; N284-W301 PolarHBondContact O-NE1 3.28Å
285H91.6Very high76.4Confident64 Ų6474.4 Ų74.430%0.29641%0.414SS..  trans-85.1142.6-177.3-59.6-67.4000112.4Y241 T243 W301Y241-H285 HydrophobicContact CE1-CB 4.15Å; Y241-H285 AromaticContact CE1-ND1 3.43Å; Y241-H285 WeakPolarHBondContact CE1-ND1 3.28Å; Y241-H285 AromaticContact CZ-ND1 3.89Å; Y241-H285 PolarHBondContact OH-ND1 3.29Å; T243-H285 PolarHBondContact O-CE1 3.24Å; H285-W301 VanDerWaalsContact C-NE1 3.26Å; H285-W301 PolarHBondContact O-NE1 3.44Å
286P93.7Very high78.4Confident9 Ų967.6 Ų67.66%0.05838%0.377CS..  trans-62.6147.3173.126.8-32.2000110.8L228 Y241 L299 Q300 W301L228-P286 HydrophobicContact CD1-CB 4.03Å; L228-P286 HydrophobicContact CD1-CG 3.71Å; Y241-P286 HydrophobicContact CD1-CG 3.84Å; Y241-P286 HydrophobicContact CD2-CG 4.4Å; Y241-P286 HydrophobicContact CE1-CG 3.74Å; Y241-P286 HydrophobicContact CE2-CG 4.28Å; Y241-P286 HydrophobicContact CG-CG 4.17Å; Y241-P286 VanDerWaalsContact CZ-CD 3.4Å; P286-L299 HydrophobicContact CB-CB 4.04Å; P286-L299 HydrophobicContact CB-CD2 4.42Å; P286-L299 HydrophobicContact CG-CB 4.43Å; P286-L299 HydrophobicContact CG-CD1 4.34Å; P286-L299 HydrophobicContact CG-CD2 4.15Å; P286-Q300 CarbonylContact C-O 3.6Å; P286-Q300 WeakPolarHBondContact CA-O 3.27Å; P286-W301 HydrophobicContact CB-CD2 4.1Å; P286-W301 HydrophobicContact CB-CE3 4.35Å; P286-W301 HydrophobicContact CB-CH2 4.02Å; P286-W301 HydrophobicContact CB-CZ2 3.75Å; P286-W301 HydrophobicContact CB-CZ3 4.31Å; P286-W301 HydrophobicContact CG-CH2 4.37Å; P286-W301 HydrophobicContact CG-CZ2 4.01Å
287K91.2Very high81.1Confident119 Ų11962.6 Ų62.652%0.51734%0.342SS..SBendtrans-81-34.5176.6-70.7-176.7160.7-173.30112.7Q300 N302K287-Q300 PolarHBondContact N-O 3.41Å; K287-N302 WeakPolarHBondContact CD-OD1 3.33Å; K287-N302 WeakPolarHBondContact CE-OD1 3.25Å; K287-N302 PolarHBondContact NZ-OD1 2.97Å
288T93Very high83.8Confident40 Ų4055.1 Ų55.125%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-144.1152.2-173.5114.40000110.8Q300T288-Q300 HydrophobicContact CG2-CB 4.09Å; T288-Q300 PolarHBondContact N-O 3.34Å; T288-Q300 PolarHBondContact O-N 2.75Å; T288-Q300 PolarHBondContact OG1-OE1 3.41Å
289M95.8Very high86.4Confident10 Ų1050.3 Ų50.35%0.04927%0.268CS..EExtended strand (participates in β ladder)trans-137.4115.5177.6178.9167.867.300109.3L228 S230 A239 L247 V297 V298 L299L228-M289 HydrophobicContact CB-CB 4.15Å; L228-M289 HydrophobicContact CB-CE 3.83Å; L228-M289 HydrophobicContact CD1-CB 3.72Å; S230-M289 VanDerWaalsContact CB-O 3.26Å; S230-M289 WeakPolarHBondContact CB-O 3.4Å; S230-M289 PolarHBondContact OG-O 3.47Å; A239-M289 VanDerWaalsContact C-CE 3.44Å; A239-M289 HydrophobicContact CB-CE 3.75Å; A239-M289 HydrophobicContact CB-SD 3.65Å; A239-M289 WeakPolarHBondContact O-CE 3.27Å; L247-M289 HydrophobicContact CD1-SD 3.68Å; M289-V297 HydrophobicContact CG-CG1 3.39Å; M289-V297 HydrophobicContact SD-CG1 3.88Å; M289-V298 WeakPolarHBondContact CA-O 3.49Å; M289-L299 HydrophobicContact CB-CD2 3.77Å; M289-L299 HydrophobicContact CG-CD2 3.64Å; M289-L299 HydrophobicContact SD-CD2 3.71Å
290L96Very high88.6Confident33 Ų3345.6 Ų45.617%0.17323%0.228CC..EExtended strand (participates in β ladder)trans-125.3151.2-178.5-60.1174.7000109.9V297 V298 L325 Q327 I332L290-V297 CarbonylContact O-C 3.58Å; L290-V298 PolarHBondContact N-O 2.74Å; L290-V298 PolarHBondContact O-N 3.15Å; L290-L325 HydrophobicContact CD1-CB 3.62Å; L290-L325 HydrophobicContact CD1-CD1 4.39Å; L290-Q327 HydrophobicContact CD1-CB 4.33Å; L290-Q327 HydrophobicContact CD2-CB 4.29Å; L290-I332 HydrophobicContact CB-CD1 3.91Å; L290-I332 HydrophobicContact CD1-CG2 4.48Å
291W95.8Very high90.6Very high1 Ų139.3 Ų39.30%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-90.1123.4175.3-72.283.7000110.3S230 F237 A239 I249 N294 V297 Q327S230-W291 PolarHBondContact O-NE1 3.03Å; S230-W291 VanDerWaalsContact O-NE1 3.12Å; F237-W291 HydrophobicContact CB-CH2 3.51Å; F237-W291 HydrophobicContact CB-CZ2 3.86Å; F237-W291 HydrophobicContact CB-CZ3 4.36Å; F237-W291 HydrophobicContact CG-CH2 4.46Å; A239-W291 HydrophobicContact CB-CZ2 3.74Å; I249-W291 HydrophobicContact CG2-CH2 3.62Å; I249-W291 HydrophobicContact CG2-CZ2 4.33Å; I249-W291 HydrophobicContact CG2-CZ3 4.5Å; W291-N294 WeakPolarHBondContact CZ3-O 3.39Å; W291-V297 HydrophobicContact CD2-CG2 3.66Å; W291-V297 HydrophobicContact CE3-CG2 3.55Å; W291-V297 HydrophobicContact CG-CG2 4.38Å; W291-V297 HydrophobicContact CH2-CG2 4.03Å; W291-V297 HydrophobicContact CZ2-CG2 4.05Å; W291-V297 HydrophobicContact CZ3-CG2 3.76Å; W291-Q327 VanDerWaalsContact N-NE2 3.2Å; W291-Q327 PolarHBondContact O-NE2 3.38Å
292L94.7Very high92Very high2 Ų235.3 Ų35.31%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-82.1-35.1175.5178.660.2000111.4F16 A296 V298 I307 I332 L343F16-L292 HydrophobicContact CD1-CD2 3.5Å; F16-L292 HydrophobicContact CD1-CG 4.35Å; F16-L292 HydrophobicContact CE1-CD2 3.35Å; F16-L292 HydrophobicContact CE1-CG 3.98Å; F16-L292 HydrophobicContact CZ-CD2 4.33Å; L292-A296 HydrophobicContact CB-CB 4.49Å; L292-A296 PolarHBondContact N-O 3Å; L292-V298 HydrophobicContact CB-CG2 3.86Å; L292-V298 HydrophobicContact CD2-CG2 4.17Å; L292-I307 HydrophobicContact CD2-CG2 3.91Å; L292-I332 HydrophobicContact CB-CD1 3.92Å; L292-I332 HydrophobicContact CB-CG1 4.5Å; L292-I332 HydrophobicContact CD1-CB 4.24Å; L292-I332 HydrophobicContact CD1-CD1 4.09Å; L292-I332 HydrophobicContact CD1-CG1 3.92Å; L292-L343 HydrophobicContact CD1-CB 4.46Å; L292-L343 HydrophobicContact CD1-CD2 4.21Å; L292-L343 HydrophobicContact CD1-CG 3.87Å; L292-L343 VanDerWaalsContact CD1-O 3.28Å; L292-L343 WeakPolarHBondContact CD1-O 3.5Å; L292-L343 HydrophobicContact CD2-CD1 4.44Å; L292-L343 HydrophobicContact CD2-CD2 3.87Å; L292-L343 HydrophobicContact CD2-CG 3.88Å
293T92.5Very high92.7Very high19 Ų1930.5 Ų30.512%0.11716%0.159CC..EExtended strand (participates in β ladder)trans-143.6-177.2171.668.50000108.3F16 S295 A296 R345F16-T293 HydrophobicContact CE1-CG2 4.26Å; T293-S295 PolarHBondContact O-N 3.29Å; T293-S295 PolarHBondContact OG1-N 2.89Å; T293-S295 VanDerWaalsContact OG1-N 3.1Å; T293-S295 PolarHBondContact OG1-OG 2.81Å; T293-A296 PolarHBondContact N-O 3.05Å; T293-A296 WeakPolarHBondContact OG1-CB 3.45Å; T293-A296 PolarHBondContact OG1-N 2.71Å; T293-A296 VanDerWaalsContact OG1-N 3.07Å; T293-R345 HydrophobicContact CG2-CB 3.7Å; T293-R345 HydrophobicContact CG2-CG 4.49Å
294N90.8Very high93Very high63 Ų6329.7 Ų29.734%0.33715%0.154SC..THydrogen-bonded Turntrans-72-5.2171-62.6-33.1000113.5L233 N234 F237 W291L233-N294 PolarHBondContact N-OD1 3.43Å; N234-N294 VanDerWaalsContact CG-CG 3.43Å; N234-N294 PolarHBondContact N-OD1 2.83Å; N234-N294 VanDerWaalsContact N-OD1 3.13Å; N234-N294 PolarHBondContact ND2-ND2 2.98Å; N234-N294 PolarHBondContact OD1-OD1 3.1Å; F237-N294 HydrophobicContact CD2-CB 4.39Å; F237-N294 HydrophobicContact CE2-CB 4.42Å; W291-N294 WeakPolarHBondContact CZ3-O 3.39Å
295S88.6Confident93.3Very high33 Ų3327 Ų2723%0.23114%0.14CC..THydrogen-bonded Turntrans-129.513.6-177.567.20000113T293 S309 A310T293-S295 PolarHBondContact O-N 3.29Å; T293-S295 PolarHBondContact OG1-N 2.89Å; T293-S295 VanDerWaalsContact OG1-N 3.1Å; T293-S295 PolarHBondContact OG1-OG 2.81Å; S295-S309 CarbonylContact O-C 3.56Å; S295-A310 WeakPolarHBondContact O-CB 3.12Å; S295-A310 PolarHBondContact O-N 2.97Å
296A93.2Very high93.4Very high0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-149.4133.8178.100000111.3F16 L292 T293 I308F16-A296 HydrophobicContact CE1-CB 4.46Å; F16-A296 HydrophobicContact CZ-CB 3.99Å; L292-A296 HydrophobicContact CB-CB 4.49Å; L292-A296 PolarHBondContact N-O 3Å; T293-A296 PolarHBondContact N-O 3.05Å; T293-A296 WeakPolarHBondContact OG1-CB 3.45Å; T293-A296 PolarHBondContact OG1-N 2.71Å; T293-A296 VanDerWaalsContact OG1-N 3.07Å; A296-I308 CarbonylContact C-O 3.51Å; A296-I308 WeakPolarHBondContact CA-O 3.41Å
297V95.4Very high93.5Very high0 Ų023.6 Ų23.60%012%0.124CC..EExtended strand (participates in β ladder)trans-113.4145.3-179.2178.80000109.2A239 I249 M289 L290 W291 L299 I308A239-V297 HydrophobicContact CB-CG1 4.38Å; A239-V297 HydrophobicContact CB-CG2 3.9Å; I249-V297 HydrophobicContact CD1-CG2 4.04Å; M289-V297 HydrophobicContact CG-CG1 3.39Å; M289-V297 HydrophobicContact SD-CG1 3.88Å; L290-V297 CarbonylContact O-C 3.58Å; W291-V297 HydrophobicContact CD2-CG2 3.66Å; W291-V297 HydrophobicContact CE3-CG2 3.55Å; W291-V297 HydrophobicContact CG-CG2 4.38Å; W291-V297 HydrophobicContact CH2-CG2 4.03Å; W291-V297 HydrophobicContact CZ2-CG2 4.05Å; W291-V297 HydrophobicContact CZ3-CG2 3.76Å; V297-L299 HydrophobicContact CG1-CD2 4.48Å; V297-I308 PolarHBondContact N-O 3.35Å; V297-I308 PolarHBondContact O-N 3.26Å
298V96.6Very high93.7Very high0 Ų017.9 Ų17.90%010%0.099CC..EExtended strand (participates in β ladder)trans-115122.7173.3177.50000109.1M289 L290 L292 I305 A306 I307 L325 I332 L343M289-V298 WeakPolarHBondContact CA-O 3.49Å; L290-V298 PolarHBondContact N-O 2.74Å; L290-V298 PolarHBondContact O-N 3.15Å; L292-V298 HydrophobicContact CB-CG2 3.86Å; L292-V298 HydrophobicContact CD2-CG2 4.17Å; V298-I305 HydrophobicContact CG1-CB 3.95Å; V298-I305 HydrophobicContact CG1-CD1 4.44Å; V298-I305 HydrophobicContact CG1-CG2 4.32Å; V298-A306 CarbonylContact C-O 3.59Å; V298-A306 WeakPolarHBondContact CA-O 3.34Å; V298-I307 HydrophobicContact CG2-CB 4.4Å; V298-I307 HydrophobicContact CG2-CG1 4.03Å; V298-I307 HydrophobicContact CG2-CG2 4.22Å; V298-L325 HydrophobicContact CG1-CD1 3.91Å; V298-I332 HydrophobicContact CB-CD1 3.78Å; V298-I332 HydrophobicContact CG1-CD1 4.46Å; V298-I332 HydrophobicContact CG2-CD1 3.66Å; V298-L343 HydrophobicContact CG2-CD2 4.22Å
299L96.3Very high93.6Very high0 Ų016 Ų160%09%0.087CC..EExtended strand (participates in β ladder)trans-97.3136.5169.8-62.2-179.6000109.3Y241 L263 P286 M289 V297 W301 I305 A306 I308Y241-L299 HydrophobicContact CD2-CD1 4.26Å; Y241-L299 HydrophobicContact CE2-CD1 4.45Å; L263-L299 HydrophobicContact CD1-CD1 3.46Å; L263-L299 VanDerWaalsContact CD1-CD1 3.46Å; P286-L299 HydrophobicContact CB-CB 4.04Å; P286-L299 HydrophobicContact CB-CD2 4.42Å; P286-L299 HydrophobicContact CG-CB 4.43Å; P286-L299 HydrophobicContact CG-CD1 4.34Å; P286-L299 HydrophobicContact CG-CD2 4.15Å; M289-L299 HydrophobicContact CB-CD2 3.77Å; M289-L299 HydrophobicContact CG-CD2 3.64Å; M289-L299 HydrophobicContact SD-CD2 3.71Å; V297-L299 HydrophobicContact CG1-CD2 4.48Å; L299-W301 HydrophobicContact CB-CH2 3.77Å; L299-W301 HydrophobicContact CB-CZ3 3.59Å; L299-W301 HydrophobicContact CD1-CH2 4.11Å; L299-I305 CarbonylContact O-C 3.57Å; L299-I305 WeakPolarHBondContact O-CA 3.17Å; L299-A306 HydrophobicContact CB-CB 4.49Å; L299-A306 PolarHBondContact N-O 3.05Å; L299-A306 PolarHBondContact O-N 3.04Å; L299-I308 HydrophobicContact CD1-CD1 3.54Å; L299-I308 HydrophobicContact CG-CD1 3.97Å
300Q95.1Very high93Very high12 Ų1216.9 Ų16.96%0.05610%0.096CC..EExtended strand (participates in β ladder)trans-121.2132.9-175.5-165.9-148.2-39.800111.7P286 K287 T288 I305 I323 L325P286-Q300 CarbonylContact C-O 3.6Å; P286-Q300 WeakPolarHBondContact CA-O 3.27Å; K287-Q300 PolarHBondContact N-O 3.41Å; T288-Q300 HydrophobicContact CG2-CB 4.09Å; T288-Q300 PolarHBondContact N-O 3.34Å; T288-Q300 PolarHBondContact O-N 2.75Å; T288-Q300 PolarHBondContact OG1-OE1 3.41Å; Q300-I305 HydrophobicContact CB-CG2 4.44Å; Q300-I305 HydrophobicContact CG-CG2 4.03Å; Q300-I323 HydrophobicContact CG-CD1 4.3Å; Q300-I323 PolarHBondContact NE2-O 3.25Å; Q300-L325 HydrophobicContact CB-CD1 3.63Å; Q300-L325 HydrophobicContact CB-CG 4.35Å; Q300-L325 HydrophobicContact CG-CD1 3.6Å; Q300-L325 HydrophobicContact CG-CG 3.81Å
301W92.8Very high92.5Very high11 Ų1120.5 Ų20.54%0.04211%0.112CC..  trans-109.1-158164.3-68.2-100.9000109.7S268 V269 N284 H285 P286 L299 L304 A306S268-W301 PolarHBondContact O-NE1 2.92Å; V269-W301 HydrophobicContact CG2-CH2 4.48Å; V269-W301 HydrophobicContact CG2-CZ2 3.95Å; N284-W301 PolarHBondContact ND2-NE1 3.41Å; N284-W301 PolarHBondContact O-NE1 3.28Å; H285-W301 VanDerWaalsContact C-NE1 3.26Å; H285-W301 PolarHBondContact O-NE1 3.44Å; P286-W301 HydrophobicContact CB-CD2 4.1Å; P286-W301 HydrophobicContact CB-CE3 4.35Å; P286-W301 HydrophobicContact CB-CH2 4.02Å; P286-W301 HydrophobicContact CB-CZ2 3.75Å; P286-W301 HydrophobicContact CB-CZ3 4.31Å; P286-W301 HydrophobicContact CG-CH2 4.37Å; P286-W301 HydrophobicContact CG-CZ2 4.01Å; L299-W301 HydrophobicContact CB-CH2 3.77Å; L299-W301 HydrophobicContact CB-CZ3 3.59Å; L299-W301 HydrophobicContact CD1-CH2 4.11Å; W301-L304 HydrophobicContact CB-CB 4.33Å; W301-L304 HydrophobicContact CE3-CD2 4.3Å; W301-L304 HydrophobicContact CE3-CG 4.26Å; W301-L304 PolarHBondContact N-O 3.29Å; W301-A306 HydrophobicContact CH2-CB 4.42Å; W301-A306 HydrophobicContact CZ3-CB 3.89Å
302N88.3Confident92.1Very high80 Ų8022.9 Ų22.943%0.42813%0.129SC..SBendtrans-64.3-56.5-179.7-68.3-9.1000112.1K287 D322 I323K287-N302 WeakPolarHBondContact CD-OD1 3.33Å; K287-N302 WeakPolarHBondContact CE-OD1 3.25Å; K287-N302 PolarHBondContact NZ-OD1 2.97Å; N302-D322 WeakPolarHBondContact O-CA 3.27Å; N302-I323 WeakPolarHBondContact O-CG1 3.36Å; N302-I323 PolarHBondContact O-N 2.77Å
303N89.9Confident92Very high55 Ų5525.9 Ų25.929%0.29415%0.145SC..SBendtrans-127.327.6-170.6-53.417.2000110.5F318 Y319 V320 D321 D322N303-F318 CarbonylContact O-C 3.57Å; N303-F318 WeakPolarHBondContact O-CA 3.33Å; N303-Y319 WeakPolarHBondContact CB-O 3.46Å; N303-Y319 PolarHBondContact O-N 3.42Å; N303-V320 PolarHBondContact ND2-O 3.22Å; N303-V320 VanDerWaalsContact ND2-O 3.1Å; N303-D321 WeakPolarHBondContact CB-O 3.32Å; N303-D321 VanDerWaalsContact CG-C 3.4Å; N303-D321 PolarHBondContact OD1-O 2.94Å; N303-D322 VanDerWaalsContact OD1-CA 3.26Å; N303-D322 WeakPolarHBondContact OD1-CA 3.45Å; N303-D322 PolarHBondContact OD1-N 2.82Å
304L92.3Very high92Very high13 Ų1326.5 Ų26.57%0.06815%0.147CC..EExtended strand (participates in β ladder)trans-151.8140.2-170.6168.967.5000109.4S268 W301 E316 T317 F318S268-L304 WeakPolarHBondContact OG-CD2 3.48Å; W301-L304 HydrophobicContact CB-CB 4.33Å; W301-L304 HydrophobicContact CE3-CD2 4.3Å; W301-L304 HydrophobicContact CE3-CG 4.26Å; W301-L304 PolarHBondContact N-O 3.29Å; L304-E316 HydrophobicContact CD1-CB 4.27Å; L304-T317 WeakPolarHBondContact CA-O 3.32Å; L304-T317 VanDerWaalsContact CD1-O 3.31Å; L304-T317 WeakPolarHBondContact CD1-O 3.47Å; L304-F318 HydrophobicContact CB-CD1 4.18Å; L304-F318 HydrophobicContact CB-CE1 4.4Å; L304-F318 HydrophobicContact CD1-CD1 3.69Å; L304-F318 HydrophobicContact CD1-CD2 4.1Å; L304-F318 HydrophobicContact CD1-CE1 3.56Å; L304-F318 HydrophobicContact CD1-CE2 3.97Å; L304-F318 HydrophobicContact CD1-CG 3.95Å; L304-F318 HydrophobicContact CD1-CZ 3.7Å; L304-F318 HydrophobicContact CD2-CD1 4.42Å; L304-F318 HydrophobicContact CD2-CE1 3.82Å; L304-F318 HydrophobicContact CD2-CZ 4.31Å; L304-F318 HydrophobicContact CG-CD1 4.31Å; L304-F318 HydrophobicContact CG-CE1 4.13Å
305I95.3Very high92.2Very high2 Ų227.6 Ų27.61%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-126.8148.5166.768.5-177.5000110.4V298 L299 Q300 E316 T317 Y319 I323 L325 I334 L343V298-I305 HydrophobicContact CG1-CB 3.95Å; V298-I305 HydrophobicContact CG1-CD1 4.44Å; V298-I305 HydrophobicContact CG1-CG2 4.32Å; L299-I305 CarbonylContact O-C 3.57Å; L299-I305 WeakPolarHBondContact O-CA 3.17Å; Q300-I305 HydrophobicContact CB-CG2 4.44Å; Q300-I305 HydrophobicContact CG-CG2 4.03Å; I305-E316 WeakPolarHBondContact O-CA 3.27Å; I305-T317 HydrophobicContact CD1-CG2 3.69Å; I305-T317 HydrophobicContact CG1-CG2 3.34Å; I305-T317 PolarHBondContact N-O 3.44Å; I305-T317 PolarHBondContact O-N 3.4Å; I305-Y319 HydrophobicContact CD1-CE2 4.2Å; I305-Y319 HydrophobicContact CG1-CE2 4.17Å; I305-Y319 HydrophobicContact CG2-CE2 4.41Å; I305-I323 HydrophobicContact CG2-CD1 3.44Å; I305-I323 VanDerWaalsContact CG2-CD1 3.44Å; I305-L325 HydrophobicContact CG2-CD1 4.08Å; I305-L325 HydrophobicContact CG2-CD2 4.37Å; I305-I334 HydrophobicContact CD1-CD1 3.75Å; I305-L343 HydrophobicContact CD1-CD2 4.09Å
306A95.1Very high92.4Very high1 Ų128 Ų281%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-118121.216800000108.9V298 L299 W301 I314 Y315 E316V298-A306 CarbonylContact C-O 3.59Å; V298-A306 WeakPolarHBondContact CA-O 3.34Å; L299-A306 HydrophobicContact CB-CB 4.49Å; L299-A306 PolarHBondContact N-O 3.05Å; L299-A306 PolarHBondContact O-N 3.04Å; W301-A306 HydrophobicContact CH2-CB 4.42Å; W301-A306 HydrophobicContact CZ3-CB 3.89Å; A306-I314 HydrophobicContact CB-CG2 4.36Å; A306-Y315 CarbonylContact C-O 3.55Å; A306-Y315 WeakPolarHBondContact CA-O 3.5Å; A306-E316 HydrophobicContact CB-CG 4.05Å
307I95.4Very high92.4Very high1 Ų129.5 Ų29.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-93.8127.7173-48.8170.3000107.4F9 I11 L292 V298 I314 Y315 L343F9-I307 HydrophobicContact CE2-CD1 3.85Å; F9-I307 HydrophobicContact CZ-CD1 3.94Å; I11-I307 HydrophobicContact CD1-CB 3.58Å; I11-I307 HydrophobicContact CD1-CD1 4.05Å; I11-I307 HydrophobicContact CD1-CG1 4.42Å; I11-I307 HydrophobicContact CD1-CG2 3.43Å; I11-I307 VanDerWaalsContact CD1-CG2 3.43Å; L292-I307 HydrophobicContact CD2-CG2 3.91Å; V298-I307 HydrophobicContact CG2-CB 4.4Å; V298-I307 HydrophobicContact CG2-CG1 4.03Å; V298-I307 HydrophobicContact CG2-CG2 4.22Å; I307-I314 CarbonylContact O-C 3.55Å; I307-I314 WeakPolarHBondContact O-CA 3.25Å; I307-Y315 HydrophobicContact CD1-CD1 3.97Å; I307-Y315 PolarHBondContact N-O 2.89Å; I307-Y315 PolarHBondContact O-N 3.27Å; I307-L343 HydrophobicContact CD1-CD1 3.84Å; I307-L343 HydrophobicContact CD1-CD2 3.61Å; I307-L343 HydrophobicContact CD1-CG 4.32Å; I307-L343 HydrophobicContact CG1-CD2 4.03Å
308I94.3Very high92.2Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-127.5118.6-171.5-56.5176.4000108.5L247 I261 L263 A296 V297 L299 D313 I314L247-I308 HydrophobicContact CD2-CB 4.28Å; L247-I308 HydrophobicContact CD2-CD1 3.53Å; L247-I308 HydrophobicContact CD2-CG1 4.49Å; L247-I308 HydrophobicContact CD2-CG2 3.97Å; I261-I308 HydrophobicContact CD1-CG2 3.24Å; L263-I308 HydrophobicContact CD1-CD1 3.88Å; L263-I308 HydrophobicContact CD2-CD1 4.01Å; A296-I308 CarbonylContact C-O 3.51Å; A296-I308 WeakPolarHBondContact CA-O 3.41Å; V297-I308 PolarHBondContact N-O 3.35Å; V297-I308 PolarHBondContact O-N 3.26Å; L299-I308 HydrophobicContact CD1-CD1 3.54Å; L299-I308 HydrophobicContact CG-CD1 3.97Å; I308-D313 WeakPolarHBondContact CA-O 3.32Å; I308-I314 HydrophobicContact CG1-CG1 4.17Å; I308-I314 HydrophobicContact CG1-CG2 4.21Å; I308-I314 HydrophobicContact CG2-CG1 4.26Å
309S91.4Very high92Very high0 Ų036.7 Ų36.70%019%0.186CC..EExtended strand (participates in β ladder)trans-80.2162.2176.777.10000111.8S295 Q311 S312 D313S295-S309 CarbonylContact O-C 3.56Å; S309-Q311 PolarHBondContact O-N 2.93Å; S309-Q311 PolarHBondContact OG-N 3.21Å; S309-S312 PolarHBondContact O-N 3.04Å; S309-D313 PolarHBondContact N-O 3.43Å; S309-D313 WeakPolarHBondContact OG-CB 3.42Å; S309-D313 PolarHBondContact OG-N 3.05Å; S309-D313 VanDerWaalsContact OG-N 3.1Å; S309-D313 PolarHBondContact OG-OD2 3.5Å
310A83.2Confident91.6Very high29 Ų2942.8 Ų42.824%0.2422%0.222CC..THydrogen-bonded Turntrans-62.1-21.7170.400000112.7S259 S295 S312S259-A310 PolarHBondContact OG-O 3.45Å; S295-A310 WeakPolarHBondContact O-CB 3.12Å; S295-A310 PolarHBondContact O-N 2.97Å; A310-S312 PolarHBondContact O-N 3.45Å
311Q86Confident91.3Very high109 Ų10943.2 Ų43.251%0.50923%0.225SC..THydrogen-bonded Turntrans-83.38.1174.6-65.775.720.700113S309 D313S309-Q311 PolarHBondContact O-N 2.93Å; S309-Q311 PolarHBondContact OG-N 3.21Å; Q311-D313 PolarHBondContact O-N 3.07Å
312S87.8Confident91.2Very high50 Ų5043.4 Ų43.435%0.3523%0.227SC..SBendtrans68.612.8-177.7-53.40000115.5S259 I261 S309 A310S259-S312 PolarHBondContact OG-OG 2.94Å; I261-S312 WeakPolarHBondContact CG1-OG 3.46Å; S309-S312 PolarHBondContact O-N 3.04Å; A310-S312 PolarHBondContact O-N 3.45Å
313D92.4Very high91.5Very high66 Ų6640.1 Ų40.135%0.35321%0.209SC..  trans-74.9139.4170.2-59.3-65.6000110.1I11 G12 I308 S309 Q311I11-D313 HydrophobicContact CG2-CB 3.54Å; G12-D313 WeakPolarHBondContact CA-OD2 3.36Å; G12-D313 PolarHBondContact N-OD2 2.93Å; I308-D313 WeakPolarHBondContact CA-O 3.32Å; S309-D313 PolarHBondContact N-O 3.43Å; S309-D313 WeakPolarHBondContact OG-CB 3.42Å; S309-D313 PolarHBondContact OG-N 3.05Å; S309-D313 VanDerWaalsContact OG-N 3.1Å; S309-D313 PolarHBondContact OG-OD2 3.5Å; Q311-D313 PolarHBondContact O-N 3.07Å
314I92.7Very high91.7Very high31 Ų3138.7 Ų38.716%0.15920%0.203CC..EExtended strand (participates in β ladder)trans-129.6132.8-174-54.1166.8000109.7I261 L263 R266 A306 I307 I308 E316I261-I314 HydrophobicContact CG2-CD1 3.84Å; L263-I314 HydrophobicContact CD2-CD1 3.38Å; L263-I314 HydrophobicContact CD2-CG1 4.42Å; R266-I314 HydrophobicContact CG-CD1 4.46Å; R266-I314 VanDerWaalsContact NE-CD1 3.28Å; A306-I314 HydrophobicContact CB-CG2 4.36Å; I307-I314 CarbonylContact O-C 3.55Å; I307-I314 WeakPolarHBondContact O-CA 3.25Å; I308-I314 HydrophobicContact CG1-CG1 4.17Å; I308-I314 HydrophobicContact CG1-CG2 4.21Å; I308-I314 HydrophobicContact CG2-CG1 4.26Å; I314-E316 HydrophobicContact CG2-CG 4.12Å
315Y93.6Very high91.8Very high87 Ų8738.9 Ų38.934%0.34120%0.204SC..EExtended strand (participates in β ladder)trans-124121.6173.6-179.9-92.7000110.2F9 I11 A306 I307 T317F9-Y315 HydrophobicContact CD2-CD1 4.11Å; F9-Y315 HydrophobicContact CD2-CD2 4.09Å; F9-Y315 HydrophobicContact CD2-CE1 4.01Å; F9-Y315 HydrophobicContact CD2-CE2 4.01Å; F9-Y315 HydrophobicContact CD2-CG 4.14Å; F9-Y315 AromaticContact CD2-CZ 3.97Å; F9-Y315 AromaticContact CE2-CD1 3.72Å; F9-Y315 HydrophobicContact CE2-CD1 3.72Å; F9-Y315 AromaticContact CE2-CE1 3.74Å; F9-Y315 HydrophobicContact CE2-CE1 3.74Å; F9-Y315 HydrophobicContact CE2-CG 4.11Å; F9-Y315 HydrophobicContact CG-CE2 4.41Å; F9-Y315 HydrophobicContact CZ-CD1 4.41Å; F9-Y315 HydrophobicContact CZ-CE1 4.13Å; I11-Y315 VanDerWaalsContact CD1-CB 3.43Å; I11-Y315 HydrophobicContact CD1-CG 4.15Å; I11-Y315 HydrophobicContact CG1-CG 4.35Å; A306-Y315 CarbonylContact C-O 3.55Å; A306-Y315 WeakPolarHBondContact CA-O 3.5Å; I307-Y315 HydrophobicContact CD1-CD1 3.97Å; I307-Y315 PolarHBondContact N-O 2.89Å; I307-Y315 PolarHBondContact O-N 3.27Å; Y315-T317 HydrophobicContact CE1-CG2 4.26Å
316E93.2Very high91.8Very high40 Ų4039.7 Ų39.719%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-107.9133.7-179.3-62-174.2142.900110.2R266 S268 L304 I305 A306 I314R266-E316 WeakPolarHBondContact CB-OE1 3.38Å; S268-E316 WeakPolarHBondContact CB-OE1 3.29Å; S268-E316 PolarHBondContact OG-OE1 2.92Å; L304-E316 HydrophobicContact CD1-CB 4.27Å; I305-E316 WeakPolarHBondContact O-CA 3.27Å; A306-E316 HydrophobicContact CB-CG 4.05Å; I314-E316 HydrophobicContact CG2-CG 4.12Å
317T92.5Very high91.7Very high33 Ų3342 Ų4220%0.20222%0.222CC..EExtended strand (participates in β ladder)trans-137135.5176.2-1740000111.8L304 I305 Y315 Y319L304-T317 WeakPolarHBondContact CA-O 3.32Å; L304-T317 VanDerWaalsContact CD1-O 3.31Å; L304-T317 WeakPolarHBondContact CD1-O 3.47Å; I305-T317 HydrophobicContact CD1-CG2 3.69Å; I305-T317 HydrophobicContact CG1-CG2 3.34Å; I305-T317 PolarHBondContact N-O 3.44Å; I305-T317 PolarHBondContact O-N 3.4Å; Y315-T317 HydrophobicContact CE1-CG2 4.26Å; T317-Y319 HydrophobicContact CG2-CE2 4.05Å
318F92.5Very high91.6Very high122 Ų12242.1 Ų42.154%0.53522%0.222SC..EExtended strand (participates in β ladder)trans-100.3151.2-176.7-61.2-95000111.2I267 N303 L304I267-F318 HydrophobicContact CG2-CZ 4.14Å; N303-F318 CarbonylContact O-C 3.57Å; N303-F318 WeakPolarHBondContact O-CA 3.33Å; L304-F318 HydrophobicContact CB-CD1 4.18Å; L304-F318 HydrophobicContact CB-CE1 4.4Å; L304-F318 HydrophobicContact CD1-CD1 3.69Å; L304-F318 HydrophobicContact CD1-CD2 4.1Å; L304-F318 HydrophobicContact CD1-CE1 3.56Å; L304-F318 HydrophobicContact CD1-CE2 3.97Å; L304-F318 HydrophobicContact CD1-CG 3.95Å; L304-F318 HydrophobicContact CD1-CZ 3.7Å; L304-F318 HydrophobicContact CD2-CD1 4.42Å; L304-F318 HydrophobicContact CD2-CE1 3.82Å; L304-F318 HydrophobicContact CD2-CZ 4.31Å; L304-F318 HydrophobicContact CG-CD1 4.31Å; L304-F318 HydrophobicContact CG-CE1 4.13Å
319Y91.1Very high91.5Very high29 Ų2943.7 Ų43.711%0.11423%0.231CC..  trans-119.9153174.8-65.8-98.3000108.8K18 N303 I305 T317 I323 I334K18-Y319 WeakPolarHBondContact CE-OH 3.34Å; K18-Y319 PolarHBondContact NZ-OH 3.42Å; K18-Y319 VanDerWaalsContact NZ-OH 3.07Å; N303-Y319 WeakPolarHBondContact CB-O 3.46Å; N303-Y319 PolarHBondContact O-N 3.42Å; I305-Y319 HydrophobicContact CD1-CE2 4.2Å; I305-Y319 HydrophobicContact CG1-CE2 4.17Å; I305-Y319 HydrophobicContact CG2-CE2 4.41Å; T317-Y319 HydrophobicContact CG2-CE2 4.05Å; Y319-I323 HydrophobicContact CD1-CG2 3.73Å; Y319-I323 HydrophobicContact CD2-CD1 3.66Å; Y319-I323 HydrophobicContact CD2-CG1 4.45Å; Y319-I323 HydrophobicContact CD2-CG2 4.16Å; Y319-I323 HydrophobicContact CE1-CG2 4.34Å; Y319-I323 HydrophobicContact CE2-CD1 3.73Å; Y319-I323 HydrophobicContact CG-CD1 4.28Å; Y319-I323 HydrophobicContact CG-CG2 3.64Å; Y319-I334 HydrophobicContact CE1-CG2 3.76Å; Y319-I334 WeakPolarHBondContact OH-CD1 3.39Å
320V88.6Confident91.5Very high127 Ų12744.4 Ų44.477%0.7724%0.235SC*.SBendtrans-68.8-46.3177.21790000110.1N303N303-V320 PolarHBondContact ND2-O 3.22Å; N303-V320 VanDerWaalsContact ND2-O 3.1Å
321D88.9Confident92.1Very high21 Ų2143 Ų4311%0.11222%0.223CC..SBendtrans-107.3175.4-175.9-60.4-65.5000112.5N303 P337N303-D321 WeakPolarHBondContact CB-O 3.32Å; N303-D321 VanDerWaalsContact CG-C 3.4Å; N303-D321 PolarHBondContact OD1-O 2.94Å; D321-P337 VanDerWaalsContact CB-CD 3.45Å; D321-P337 HydrophobicContact CB-CG 3.7Å
322D91Very high92.6Very high16 Ų1637.9 Ų37.99%0.08620%0.199CC..  trans-69.8141173.561.4-8.2000111.8S31 I32 S33 N302 N303 P337S31-D322 PolarHBondContact OG-OD2 3.35Å; I32-D322 PolarHBondContact N-OD1 2.93Å; I32-D322 PolarHBondContact N-OD2 2.85Å; I32-D322 VanDerWaalsContact N-OD2 3.09Å; S33-D322 WeakPolarHBondContact CB-OD2 3.33Å; S33-D322 PolarHBondContact N-OD2 3.44Å; S33-D322 PolarHBondContact OG-OD2 3.02Å; N302-D322 WeakPolarHBondContact O-CA 3.27Å; N303-D322 VanDerWaalsContact OD1-CA 3.26Å; N303-D322 WeakPolarHBondContact OD1-CA 3.45Å; N303-D322 PolarHBondContact OD1-N 2.82Å; D322-P337 WeakPolarHBondContact O-CD 3.3Å
323I93.8Very high93Very high10 Ų1035.5 Ų35.55%0.05118%0.182CC..  trans-118.7153.5-175.656.6163.6000112.6Q300 N302 I305 Y319 L325 I334 L335Q300-I323 HydrophobicContact CG-CD1 4.3Å; Q300-I323 PolarHBondContact NE2-O 3.25Å; N302-I323 WeakPolarHBondContact O-CG1 3.36Å; N302-I323 PolarHBondContact O-N 2.77Å; I305-I323 HydrophobicContact CG2-CD1 3.44Å; I305-I323 VanDerWaalsContact CG2-CD1 3.44Å; Y319-I323 HydrophobicContact CD1-CG2 3.73Å; Y319-I323 HydrophobicContact CD2-CD1 3.66Å; Y319-I323 HydrophobicContact CD2-CG1 4.45Å; Y319-I323 HydrophobicContact CD2-CG2 4.16Å; Y319-I323 HydrophobicContact CE1-CG2 4.34Å; Y319-I323 HydrophobicContact CE2-CD1 3.73Å; Y319-I323 HydrophobicContact CG-CD1 4.28Å; Y319-I323 HydrophobicContact CG-CG2 3.64Å; I323-L325 HydrophobicContact CD1-CD2 4.25Å; I323-I334 HydrophobicContact CB-CG2 4.3Å; I323-I334 HydrophobicContact CD1-CG2 4.16Å; I323-I334 HydrophobicContact CG2-CG2 4.28Å; I323-L335 CarbonylContact C-O 3.56Å; I323-L335 VanDerWaalsContact CA-O 3.24Å; I323-L335 WeakPolarHBondContact CA-O 3.42Å
324C94Very high93.2Very high25 Ų2532.4 Ų32.417%0.16917%0.166CC..EExtended strand (participates in β ladder)trans-119.9137.1168.7-179.20000109.4I32 L335I32-C324 HydrophobicContact CG2-CB 3.83Å; C324-L335 HydrophobicContact CB-CB 4.36Å; C324-L335 PolarHBondContact N-O 3.42Å; C324-L335 PolarHBondContact O-N 3.34Å
325L95.7Very high93.3Very high17 Ų1730.9 Ų30.99%0.08916%0.158CC..EExtended strand (participates in β ladder)trans-107.9143.7177.3-59.1-173.9000111.3L290 V298 Q300 I305 I323 I332 R333 I334L290-L325 HydrophobicContact CD1-CB 3.62Å; L290-L325 HydrophobicContact CD1-CD1 4.39Å; V298-L325 HydrophobicContact CG1-CD1 3.91Å; Q300-L325 HydrophobicContact CB-CD1 3.63Å; Q300-L325 HydrophobicContact CB-CG 4.35Å; Q300-L325 HydrophobicContact CG-CD1 3.6Å; Q300-L325 HydrophobicContact CG-CG 3.81Å; I305-L325 HydrophobicContact CG2-CD1 4.08Å; I305-L325 HydrophobicContact CG2-CD2 4.37Å; I323-L325 HydrophobicContact CD1-CD2 4.25Å; L325-I332 HydrophobicContact CB-CG2 3.94Å; L325-I332 HydrophobicContact CD1-CG2 4.31Å; L325-I332 HydrophobicContact CD2-CG2 4.02Å; L325-I332 HydrophobicContact CG-CG2 4.33Å; L325-R333 VanDerWaalsContact CA-O 3.31Å; L325-R333 WeakPolarHBondContact CA-O 3.46Å; L325-I334 HydrophobicContact CD2-CB 4.06Å; L325-I334 HydrophobicContact CD2-CD1 4.3Å; L325-I334 HydrophobicContact CD2-CG1 3.71Å; L325-I334 HydrophobicContact CD2-CG2 3.87Å
326A94.4Very high93.3Very high19 Ų1926.9 Ų26.916%0.15714%0.143CC..EExtended strand (participates in β ladder)trans-135.1128.316800000111.3I39 I332 R333I39-A326 HydrophobicContact CB-CB 3.68Å; I39-A326 HydrophobicContact CD1-CB 3.82Å; I39-A326 HydrophobicContact CG1-CB 4.13Å; I39-A326 HydrophobicContact CG2-CB 4.17Å; A326-I332 CarbonylContact O-C 3.52Å; A326-I332 WeakPolarHBondContact O-CA 3.44Å; A326-R333 HydrophobicContact CB-CB 4.38Å; A326-R333 PolarHBondContact N-O 3.22Å; A326-R333 PolarHBondContact O-N 3.38Å
327Q94Very high93.4Very high51 Ų5125 Ų2524%0.23813%0.134CC..EExtended strand (participates in β ladder)trans-78129.6-178.9-168.9179.627.800111L233 L290 W291L233-Q327 HydrophobicContact CD2-CG 4.02Å; L290-Q327 HydrophobicContact CD1-CB 4.33Å; L290-Q327 HydrophobicContact CD2-CB 4.29Å; W291-Q327 VanDerWaalsContact N-NE2 3.2Å; W291-Q327 PolarHBondContact O-NE2 3.38Å
328E93.1Very high93.5Very high2 Ų225.9 Ų25.91%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-113.6169.8173.1-68.7-76.7-165.800109.7Q41 Y42 D330 G331 R333Q41-E328 WeakPolarHBondContact CA-OE1 3.33Å; Y42-E328 PolarHBondContact N-OE1 2.96Å; Y42-E328 PolarHBondContact N-OE2 3.36Å; Y42-E328 VanDerWaalsContact N-OE2 3.09Å; E328-D330 PolarHBondContact O-N 2.9Å; E328-D330 VanDerWaalsContact O-N 3.13Å; E328-G331 CarbonylContact C-O 3.49Å; E328-G331 WeakPolarHBondContact CA-O 2.98Å; E328-G331 PolarHBondContact N-O 2.92Å; E328-G331 VanDerWaalsContact O-O 3.13Å; E328-R333 HydrophobicContact CG-CG 3.96Å; E328-R333 WeakPolarHBondContact OE1-CD 3.32Å; E328-R333 IonicContact OE1-CZ 2.64Å; E328-R333 IonicContact OE1-NE 2.77Å; E328-R333 PolarHBondContact OE1-NE 3.31Å; E328-R333 IonicContact OE1-NH2 3.54Å
329I91.1Very high93.6Very high33 Ų3320.8 Ų20.817%0.16912%0.119CC..THydrogen-bonded Turntrans-63.9-18-178.159163.2000114.5Y42 R490 Q491 E494Y42-I329 HydrophobicContact CE1-CD1 3.97Å; Y42-I329 HydrophobicContact CE1-CG1 4.36Å; I329-R490 HydrophobicContact CD1-CG 3.86Å; I329-Q491 HydrophobicContact CD1-CG 4.15Å; I329-Q491 HydrophobicContact CG1-CG 3.96Å; I329-E494 HydrophobicContact CD1-CB 3.74Å; I329-E494 HydrophobicContact CD1-CG 3.44Å; I329-E494 VanDerWaalsContact CD1-CG 3.44Å
330D93Very high93.8Very high16 Ų1619.4 Ų19.49%0.08611%0.113CC..THydrogen-bonded Turntrans-140.915.4-171.770.3-28.4000113.4E328 Q344 T488 R490 Q491E328-D330 PolarHBondContact O-N 2.9Å; E328-D330 VanDerWaalsContact O-N 3.13Å; D330-Q344 VanDerWaalsContact CG-NE2 3.26Å; D330-Q344 VanDerWaalsContact O-CG 3.27Å; D330-Q344 WeakPolarHBondContact O-CG 3.28Å; D330-Q344 PolarHBondContact O-NE2 2.83Å; D330-Q344 PolarHBondContact OD2-NE2 3.22Å; D330-T488 VanDerWaalsContact OD2-CB 3.23Å; D330-T488 WeakPolarHBondContact OD2-CB 3.49Å; D330-T488 VanDerWaalsContact OD2-CG2 3.31Å; D330-T488 WeakPolarHBondContact OD2-CG2 3.31Å; D330-T488 PolarHBondContact OD2-OG1 2.89Å; D330-R490 HydrophobicContact CB-CB 4.38Å; D330-R490 HydrophobicContact CB-CG 4.38Å; D330-Q491 WeakPolarHBondContact OD1-CG 3.45Å; D330-Q491 PolarHBondContact OD1-NE2 3.36Å
331G94.6Very high94.2Very high0 Ų014.6 Ų14.60%08%0.082CC..EExtended strand (participates in β ladder)trans173.6-169.1-179.400000113.1E328 L343E328-G331 CarbonylContact C-O 3.49Å; E328-G331 WeakPolarHBondContact CA-O 2.98Å; E328-G331 PolarHBondContact N-O 2.92Å; E328-G331 VanDerWaalsContact O-O 3.13Å; G331-L343 CarbonylContact C-O 3.56Å; G331-L343 WeakPolarHBondContact CA-O 3.46Å
332I96.8Very high94.5Very high0 Ų013.7 Ų13.70%08%0.078CC..EExtended strand (participates in β ladder)trans-129.1126.1174.2-65.9173.2000108.1L290 L292 V298 L325 A326 L343L290-I332 HydrophobicContact CB-CD1 3.91Å; L290-I332 HydrophobicContact CD1-CG2 4.48Å; L292-I332 HydrophobicContact CB-CD1 3.92Å; L292-I332 HydrophobicContact CB-CG1 4.5Å; L292-I332 HydrophobicContact CD1-CB 4.24Å; L292-I332 HydrophobicContact CD1-CD1 4.09Å; L292-I332 HydrophobicContact CD1-CG1 3.92Å; V298-I332 HydrophobicContact CB-CD1 3.78Å; V298-I332 HydrophobicContact CG1-CD1 4.46Å; V298-I332 HydrophobicContact CG2-CD1 3.66Å; L325-I332 HydrophobicContact CB-CG2 3.94Å; L325-I332 HydrophobicContact CD1-CG2 4.31Å; L325-I332 HydrophobicContact CD2-CG2 4.02Å; L325-I332 HydrophobicContact CG-CG2 4.33Å; A326-I332 CarbonylContact O-C 3.52Å; A326-I332 WeakPolarHBondContact O-CA 3.44Å; I332-L343 PolarHBondContact N-O 3.25Å; I332-L343 PolarHBondContact O-N 3.16Å
333R96.4Very high94.8Very high0 Ų013.1 Ų13.10%08%0.075CC..EExtended strand (participates in β ladder)trans-74.7135169-68.7179.7-178.3-73.2-12109.4L325 A326 E328 H340 E341 L342 A486L325-R333 VanDerWaalsContact CA-O 3.31Å; L325-R333 WeakPolarHBondContact CA-O 3.46Å; A326-R333 HydrophobicContact CB-CB 4.38Å; A326-R333 PolarHBondContact N-O 3.22Å; A326-R333 PolarHBondContact O-N 3.38Å; E328-R333 HydrophobicContact CG-CG 3.96Å; E328-R333 WeakPolarHBondContact OE1-CD 3.32Å; E328-R333 IonicContact OE1-CZ 2.64Å; E328-R333 IonicContact OE1-NE 2.77Å; E328-R333 PolarHBondContact OE1-NE 3.31Å; E328-R333 IonicContact OE1-NH2 3.54Å; R333-H340 WeakPolarHBondContact CD-NE2 3.35Å; R333-H340 PolarHBondContact NH1-NE2 3.26Å; R333-E341 CarbonylContact C-O 3.56Å; R333-E341 VanDerWaalsContact CA-O 3.32Å; R333-E341 WeakPolarHBondContact CA-O 3.36Å; R333-L342 HydrophobicContact CG-CD1 4.29Å; R333-A486 PolarHBondContact NH2-O 3.39Å; R333-A486 VanDerWaalsContact NH2-O 3.14Å
334I96Very high94.8Very high1 Ų112.9 Ų12.91%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-118.4118.2177.1-47.2-170.9000106.8I305 Y319 I323 L325 H340 E341 L343I305-I334 HydrophobicContact CD1-CD1 3.75Å; Y319-I334 HydrophobicContact CE1-CG2 3.76Å; Y319-I334 WeakPolarHBondContact OH-CD1 3.39Å; I323-I334 HydrophobicContact CB-CG2 4.3Å; I323-I334 HydrophobicContact CD1-CG2 4.16Å; I323-I334 HydrophobicContact CG2-CG2 4.28Å; L325-I334 HydrophobicContact CD2-CB 4.06Å; L325-I334 HydrophobicContact CD2-CD1 4.3Å; L325-I334 HydrophobicContact CD2-CG1 3.71Å; L325-I334 HydrophobicContact CD2-CG2 3.87Å; I334-H340 WeakPolarHBondContact O-CA 3.4Å; I334-E341 HydrophobicContact CB-CB 4.44Å; I334-E341 PolarHBondContact N-O 3.18Å; I334-E341 PolarHBondContact O-N 2.94Å; I334-L343 HydrophobicContact CD1-CB 3.85Å; I334-L343 HydrophobicContact CD1-CD2 4.3Å; I334-L343 HydrophobicContact CG1-CB 4.33Å
335L95.3Very high94.9Very high0 Ų016.6 Ų16.60%08%0.084CC..EExtended strand (participates in β ladder)trans-112.8118.8-178-173.872.1000108.7M24 W26 I32 T37 I39 I46 M48 I323 C324 H340M24-L335 HydrophobicContact CE-CD1 3.63Å; M24-L335 HydrophobicContact CG-CD1 4.29Å; M24-L335 HydrophobicContact SD-CD1 4.04Å; W26-L335 HydrophobicContact CH2-CD1 4.01Å; W26-L335 HydrophobicContact CH2-CD2 3.77Å; W26-L335 HydrophobicContact CH2-CG 4.16Å; W26-L335 HydrophobicContact CZ3-CD1 3.96Å; W26-L335 HydrophobicContact CZ3-CD2 3.8Å; W26-L335 HydrophobicContact CZ3-CG 3.85Å; I32-L335 HydrophobicContact CD1-CD2 4.42Å; I32-L335 HydrophobicContact CD1-CG 4.17Å; T37-L335 HydrophobicContact CG2-CD2 4.39Å; I39-L335 HydrophobicContact CD1-CB 4.04Å; I39-L335 HydrophobicContact CD1-CD2 3.9Å; I39-L335 HydrophobicContact CG1-CD2 4.49Å; I46-L335 HydrophobicContact CD1-CD1 3.92Å; I46-L335 HydrophobicContact CD1-CD2 4.06Å; I46-L335 HydrophobicContact CG2-CD2 4.23Å; M48-L335 HydrophobicContact CE-CD2 4.17Å; I323-L335 CarbonylContact C-O 3.56Å; I323-L335 VanDerWaalsContact CA-O 3.24Å; I323-L335 WeakPolarHBondContact CA-O 3.42Å; C324-L335 HydrophobicContact CB-CB 4.36Å; C324-L335 PolarHBondContact N-O 3.42Å; C324-L335 PolarHBondContact O-N 3.34Å; L335-H340 HydrophobicContact CD1-CB 4.13Å
336S94.3Very high94.9Very high3 Ų315.8 Ų15.82%0.0218%0.079CC..  trans-114.1170.416780.30000109.7T338 S339S336-T338 PolarHBondContact O-N 3.02Å; S336-T338 VanDerWaalsContact O-N 3.12Å; S336-T338 PolarHBondContact OG-N 3.37Å; S336-T338 PolarHBondContact OG-OG1 2.94Å; S336-T338 VanDerWaalsContact OG-OG1 3.14Å; S336-S339 PolarHBondContact N-O 2.9Å; S336-S339 PolarHBondContact OG-N 2.89Å; S336-S339 PolarHBondContact OG-O 3.33Å; S336-S339 PolarHBondContact OG-OG 3.47Å
337P94.2Very high94.9Very high0 Ų015.8 Ų15.80%08%0.078CC..SBendtrans-57.3-21.6172.5-29.941.2000115.1M24 G27 F30 I32 D321 D322M24-P337 WeakPolarHBondContact CB-O 3.39Å; G27-P337 PolarHBondContact N-O 2.88Å; G27-P337 VanDerWaalsContact N-O 3.11Å; G27-P337 WeakPolarHBondContact O-CB 3.36Å; F30-P337 HydrophobicContact CB-CB 4.14Å; F30-P337 WeakPolarHBondContact O-CG 3.3Å; I32-P337 HydrophobicContact CD1-CG 4.24Å; I32-P337 HydrophobicContact CG1-CG 4.29Å; D321-P337 VanDerWaalsContact CB-CD 3.45Å; D321-P337 HydrophobicContact CB-CG 3.7Å; D322-P337 WeakPolarHBondContact O-CD 3.3Å
338T94.7Very high94.9Very high51 Ų5117.3 Ų17.331%0.3139%0.094SC..SBendtrans-116.9-17.7-171.748.80000113.5M24 V28 S336M24-T338 PolarHBondContact N-O 3.2Å; V28-T338 HydrophobicContact CG2-CG2 3.81Å; S336-T338 PolarHBondContact O-N 3.02Å; S336-T338 VanDerWaalsContact O-N 3.12Å; S336-T338 PolarHBondContact OG-N 3.37Å; S336-T338 PolarHBondContact OG-OG1 2.94Å; S336-T338 VanDerWaalsContact OG-OG1 3.14Å
339S94.8Very high95Very high15 Ų1518 Ų1811%0.10510%0.099CC..EExtended strand (participates in β ladder)trans-149147.3-17567.70000113.2Y22 S336Y22-S339 CarbonylContact O-C 3.28Å; Y22-S339 WeakPolarHBondContact O-CA 3.46Å; S336-S339 PolarHBondContact N-O 2.9Å; S336-S339 PolarHBondContact OG-N 2.89Å; S336-S339 PolarHBondContact OG-O 3.33Å; S336-S339 PolarHBondContact OG-OG 3.47Å
340H95.5Very high95.2Very high0 Ų016.5 Ų16.50%09%0.091CC..EExtended strand (participates in β ladder)trans-118.1117.7165-178170.6000107.6L21 Y22 M24 S65 R333 I334 L335L21-H340 WeakPolarHBondContact CA-O 3.38Å; L21-H340 VanDerWaalsContact CB-O 3.27Å; L21-H340 WeakPolarHBondContact CB-O 3.41Å; L21-H340 PolarHBondContact N-O 3.14Å; Y22-H340 HydrophobicContact CD2-CB 4.23Å; Y22-H340 AromaticContact CD2-ND1 3.81Å; Y22-H340 PolarHBondContact N-O 3.39Å; Y22-H340 VanDerWaalsContact N-O 3.14Å; Y22-H340 PolarHBondContact O-N 3.4Å; M24-H340 HydrophobicContact CG-CB 4.17Å; M24-H340 HydrophobicContact SD-CB 3.8Å; S65-H340 PolarHBondContact O-ND1 2.77Å; R333-H340 WeakPolarHBondContact CD-NE2 3.35Å; R333-H340 PolarHBondContact NH1-NE2 3.26Å; I334-H340 WeakPolarHBondContact O-CA 3.4Å; L335-H340 HydrophobicContact CD1-CB 4.13Å
341E95.8Very high95.2Very high26 Ų2617 Ų1712%0.1219%0.093CC..EExtended strand (participates in β ladder)trans-124.5160.1-175.6-56.7163.7126.400111K18 L19 R333 I334K18-E341 VanDerWaalsContact CE-OE1 3.3Å; K18-E341 WeakPolarHBondContact CE-OE1 3.48Å; K18-E341 WeakPolarHBondContact CE-OE2 3.2Å; K18-E341 HydrophobicContact CG-CB 4.29Å; K18-E341 IonicContact NZ-OE1 2.82Å; K18-E341 PolarHBondContact NZ-OE1 3.38Å; K18-E341 IonicContact NZ-OE2 3.45Å; K18-E341 PolarHBondContact NZ-OE2 3.41Å; L19-E341 CarbonylContact O-C 3.55Å; L19-E341 WeakPolarHBondContact O-CA 3.44Å; L19-E341 WeakPolarHBondContact O-CB 3.35Å; R333-E341 CarbonylContact C-O 3.56Å; R333-E341 VanDerWaalsContact CA-O 3.32Å; R333-E341 WeakPolarHBondContact CA-O 3.36Å; I334-E341 HydrophobicContact CB-CB 4.44Å; I334-E341 PolarHBondContact N-O 3.18Å; I334-E341 PolarHBondContact O-N 2.94Å
342L96.2Very high95.2Very high2 Ų219.5 Ų19.51%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-119.7110.9172.2177.466.1000109.6L19 L21 R333 Q344 T488L19-L342 HydrophobicContact CB-CB 4.34Å; L19-L342 HydrophobicContact CD1-CD2 4.37Å; L19-L342 PolarHBondContact N-O 2.96Å; L19-L342 PolarHBondContact O-N 2.9Å; L21-L342 HydrophobicContact CD1-CB 4.05Å; L21-L342 HydrophobicContact CD2-CB 4.34Å; L21-L342 HydrophobicContact CG-CB 4.29Å; R333-L342 HydrophobicContact CG-CD1 4.29Å; L342-Q344 HydrophobicContact CG-CB 4.31Å; L342-T488 HydrophobicContact CD2-CG2 3.43Å; L342-T488 VanDerWaalsContact CD2-CG2 3.43Å
343L96.5Very high95Very high4 Ų419.9 Ų19.92%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-81.8124.3168.1174.964.4000108.8F9 L292 V298 I305 I307 G331 I332 I334F9-L343 HydrophobicContact CE1-CD1 4.43Å; F9-L343 HydrophobicContact CZ-CD1 3.78Å; L292-L343 HydrophobicContact CD1-CB 4.46Å; L292-L343 HydrophobicContact CD1-CD2 4.21Å; L292-L343 HydrophobicContact CD1-CG 3.87Å; L292-L343 VanDerWaalsContact CD1-O 3.28Å; L292-L343 WeakPolarHBondContact CD1-O 3.5Å; L292-L343 HydrophobicContact CD2-CD1 4.44Å; L292-L343 HydrophobicContact CD2-CD2 3.87Å; L292-L343 HydrophobicContact CD2-CG 3.88Å; V298-L343 HydrophobicContact CG2-CD2 4.22Å; I305-L343 HydrophobicContact CD1-CD2 4.09Å; I307-L343 HydrophobicContact CD1-CD1 3.84Å; I307-L343 HydrophobicContact CD1-CD2 3.61Å; I307-L343 HydrophobicContact CD1-CG 4.32Å; I307-L343 HydrophobicContact CG1-CD2 4.03Å; G331-L343 CarbonylContact C-O 3.56Å; G331-L343 WeakPolarHBondContact CA-O 3.46Å; I332-L343 PolarHBondContact N-O 3.25Å; I332-L343 PolarHBondContact O-N 3.16Å; I334-L343 HydrophobicContact CD1-CB 3.85Å; I334-L343 HydrophobicContact CD1-CD2 4.3Å; I334-L343 HydrophobicContact CG1-CB 4.33Å
344Q95.4Very high94.8Very high6 Ų620.5 Ų20.53%0.02812%0.119CC..EExtended strand (participates in β ladder)trans-147.9145.2-173.8159.8168.979.100110.7F16 R17 D330 L342 V346F16-Q344 WeakPolarHBondContact CA-O 3.39Å; R17-Q344 PolarHBondContact N-O 2.82Å; R17-Q344 PolarHBondContact O-N 3.15Å; D330-Q344 VanDerWaalsContact CG-NE2 3.26Å; D330-Q344 VanDerWaalsContact O-CG 3.27Å; D330-Q344 WeakPolarHBondContact O-CG 3.28Å; D330-Q344 PolarHBondContact O-NE2 2.83Å; D330-Q344 PolarHBondContact OD2-NE2 3.22Å; L342-Q344 HydrophobicContact CG-CB 4.31Å; Q344-V346 PolarHBondContact O-N 3.34Å
345R94.9Very high94.5Very high102 Ų10225.1 Ų25.139%0.38514%0.136SC..EExtended strand (participates in β ladder)trans-62.6130.8164173.5177.7175.2159.14109.1I14 F16 T293 P347I14-R345 HydrophobicContact CG2-CG 3.75Å; F16-R345 HydrophobicContact CD1-CB 4.11Å; F16-R345 HydrophobicContact CE1-CB 3.94Å; T293-R345 HydrophobicContact CG2-CB 3.7Å; T293-R345 HydrophobicContact CG2-CG 4.49Å; R345-P347 VanDerWaalsContact O-CD 3.27Å; R345-P347 WeakPolarHBondContact O-CD 3.47Å; R345-P347 VanDerWaalsContact O-N 3.15Å
346V95.1Very high94Very high0 Ų032.7 Ų32.70%018%0.175CC..PPolyproline II helixtrans-55.7122.3177.3-179.90000109W8 Y15 R17 Q344 L350 E351W8-V346 HydrophobicContact CB-CG2 4.33Å; W8-V346 HydrophobicContact CD2-CB 4.42Å; W8-V346 HydrophobicContact CD2-CG1 3.95Å; W8-V346 HydrophobicContact CD2-CG2 3.61Å; W8-V346 HydrophobicContact CE3-CG1 3.95Å; W8-V346 HydrophobicContact CE3-CG2 4.09Å; W8-V346 HydrophobicContact CG-CG2 3.71Å; W8-V346 HydrophobicContact CH2-CG1 3.75Å; W8-V346 HydrophobicContact CZ2-CG1 3.72Å; W8-V346 HydrophobicContact CZ3-CG1 3.85Å; Y15-V346 PolarHBondContact O-N 3.48Å; R17-V346 HydrophobicContact CB-CG2 4.04Å; R17-V346 HydrophobicContact CG-CG2 4.14Å; Q344-V346 PolarHBondContact O-N 3.34Å; V346-L350 HydrophobicContact CG1-CB 4.11Å; V346-E351 HydrophobicContact CG1-CB 3.93Å
347P95.1Very high93.7Very high20 Ų2036 Ų3613%0.1321%0.211CC..PPolyproline II helixtrans-60.6139.1178.9-29.139.6000111.4R345 P349 L350 E351 H405R345-P347 VanDerWaalsContact O-CD 3.27Å; R345-P347 WeakPolarHBondContact O-CD 3.47Å; R345-P347 VanDerWaalsContact O-N 3.15Å; P347-P349 VanDerWaalsContact C-N 3.32Å; P347-P349 VanDerWaalsContact O-N 3.17Å; P347-L350 PolarHBondContact O-N 2.93Å; P347-E351 PolarHBondContact O-N 3.25Å; P347-H405 HydrophobicContact CB-CB 3.71Å; P347-H405 HydrophobicContact CG-CB 3.88Å
348S94.3Very high93.4Very high83 Ų8337.4 Ų37.458%0.5822%0.222SC*.Hα-helixtrans-55.3-34.6-173.559.60000115.2L350 E351 S352S348-L350 VanDerWaalsContact C-N 3.34Å; S348-L350 PolarHBondContact O-N 3.5Å; S348-E351 PolarHBondContact O-N 2.95Å; S348-S352 WeakPolarHBondContact O-CB 3.27Å; S348-S352 PolarHBondContact O-N 3.03Å; S348-S352 VanDerWaalsContact O-N 3.07Å; S348-S352 PolarHBondContact O-OG 3.28Å
349P94.6Very high93.2Very high17 Ų1739 Ų3911%0.1124%0.235CC..Hα-helixtrans-63.5-40.5176-24.438.3000112.1P347 L353 H398 E401 A402P347-P349 VanDerWaalsContact C-N 3.32Å; P347-P349 VanDerWaalsContact O-N 3.17Å; P349-L353 WeakPolarHBondContact O-CD1 3.39Å; P349-H398 PolarHBondContact O-NE2 3.13Å; P349-E401 HydrophobicContact CB-CB 4.5Å; P349-E401 HydrophobicContact CB-CG 3.96Å; P349-E401 HydrophobicContact CG-CG 3.68Å; P349-A402 HydrophobicContact CB-CB 4.21Å
350L95Very high93.1Very high1 Ų139.6 Ų39.61%0.00524%0.239CC..Hα-helixtrans-71-45.2175.4-74.1172.8000111.7L4 W8 V346 P347 S348 S352 L353 G354 A402 H405 L416L4-L350 HydrophobicContact CD1-CD2 4.06Å; W8-L350 HydrophobicContact CH2-CB 4.11Å; W8-L350 VanDerWaalsContact CH2-O 3.31Å; W8-L350 WeakPolarHBondContact CH2-O 3.21Å; W8-L350 HydrophobicContact CZ2-CB 4.17Å; V346-L350 HydrophobicContact CG1-CB 4.11Å; P347-L350 PolarHBondContact O-N 2.93Å; S348-L350 VanDerWaalsContact C-N 3.34Å; S348-L350 PolarHBondContact O-N 3.5Å; L350-S352 PolarHBondContact O-N 3.4Å; L350-L353 WeakPolarHBondContact O-CB 3.28Å; L350-L353 PolarHBondContact O-N 3.16Å; L350-G354 PolarHBondContact O-N 3.2Å; L350-A402 HydrophobicContact CD2-CB 4.07Å; L350-A402 WeakPolarHBondContact CD2-O 3.24Å; L350-H405 VanDerWaalsContact CD1-C 3.49Å; L350-H405 HydrophobicContact CD1-CB 3.74Å; L350-H405 WeakPolarHBondContact CD1-O 3.37Å; L350-H405 HydrophobicContact CG-CB 4.03Å; L350-L416 HydrophobicContact CD2-CD1 4Å
351E94.6Very high93.1Very high25 Ų2541.3 Ų41.312%0.11725%0.25CS..Hα-helixtrans-54.8-42.8-179.7-168.4-174.7154.400111.2Y15 V346 P347 S348 L353 G354 R355Y15-E351 HydrophobicContact CD2-CG 4.17Å; V346-E351 HydrophobicContact CG1-CB 3.93Å; P347-E351 PolarHBondContact O-N 3.25Å; S348-E351 PolarHBondContact O-N 2.95Å; E351-L353 PolarHBondContact O-N 3.04Å; E351-L353 VanDerWaalsContact O-N 3.13Å; E351-G354 PolarHBondContact O-N 3.35Å; E351-R355 HydrophobicContact CG-CB 4.37Å; E351-R355 WeakPolarHBondContact O-CB 3.4Å; E351-R355 PolarHBondContact O-N 3.09Å; E351-R355 IonicContact OE1-NH1 2.56Å; E351-R355 PolarHBondContact OE1-NH1 3.25Å
352S92.8Very high93.1Very high53 Ų5340.2 Ų40.237%0.37125%0.245SC..Hα-helixtrans-62.8-18.8178.9-55.40000114.4S348 L350 A358 T363 H398S348-S352 WeakPolarHBondContact O-CB 3.27Å; S348-S352 PolarHBondContact O-N 3.03Å; S348-S352 VanDerWaalsContact O-N 3.07Å; S348-S352 PolarHBondContact O-OG 3.28Å; L350-S352 PolarHBondContact O-N 3.4Å; S352-A358 WeakPolarHBondContact O-CB 3.39Å; S352-T363 PolarHBondContact O-OG1 3.4Å; S352-H398 VanDerWaalsContact CB-CE1 3.46Å; S352-H398 WeakPolarHBondContact CB-CE1 3.19Å
353L93.8Very high93.1Very high8 Ų840.8 Ų40.84%0.04225%0.249CC..Hα-helixtrans-100.5-38.9179.3-76.5152.6000112.7L4 P349 L350 E351 A362 L366 A402 L416L4-L353 HydrophobicContact CD2-CB 3.72Å; P349-L353 WeakPolarHBondContact O-CD1 3.39Å; L350-L353 WeakPolarHBondContact O-CB 3.28Å; L350-L353 PolarHBondContact O-N 3.16Å; E351-L353 PolarHBondContact O-N 3.04Å; E351-L353 VanDerWaalsContact O-N 3.13Å; L353-A362 VanDerWaalsContact CD2-C 3.46Å; L353-A362 HydrophobicContact CD2-CB 3.67Å; L353-A362 HydrophobicContact CG-CB 4.43Å; L353-L366 HydrophobicContact CD2-CB 4.48Å; L353-L366 HydrophobicContact CD2-CD2 4.17Å; L353-A402 HydrophobicContact CD1-CB 3.16Å; L353-L416 HydrophobicContact CD1-CD2 3.97Å
354G91Very high93Very high13 Ų1343.7 Ų43.713%0.13426%0.26CS..Hα-helixtrans-105.5-10.1-169.700000115.9W8 L350 E351W8-G354 VanDerWaalsContact CZ3-C 3.46Å; L350-G354 PolarHBondContact O-N 3.2Å; E351-G354 PolarHBondContact O-N 3.35Å
355R90.5Very high93Very high98 Ų9843.4 Ų43.437%0.3726%0.258SS..SBendtrans-60.9141.8175.2178.8172.8178.6153.30.5109.6Y15 E351 G357 A358Y15-R355 HydrophobicContact CE2-CG 3.75Å; E351-R355 HydrophobicContact CG-CB 4.37Å; E351-R355 WeakPolarHBondContact O-CB 3.4Å; E351-R355 PolarHBondContact O-N 3.09Å; E351-R355 IonicContact OE1-NH1 2.56Å; E351-R355 PolarHBondContact OE1-NH1 3.25Å; R355-G357 PolarHBondContact O-N 3.43Å; R355-A358 WeakPolarHBondContact O-CB 3.28Å; R355-A358 PolarHBondContact O-N 2.9Å
356I85.6Confident93Very high159 Ų15939 Ų3982%0.81524%0.243SC*.THydrogen-bonded Turntrans-58.2124.4175.6-61.7171.3000109
357G86.8Confident92.9Very high74 Ų7440.7 Ų40.776%0.76325%0.254SS*.THydrogen-bonded Turntrans82.87.7-175.500000114.9R355 S359R355-G357 PolarHBondContact O-N 3.43Å; G357-S359 PolarHBondContact O-N 3.48Å
358A89.2Confident92.9Very high28 Ų2839.8 Ų39.823%0.23125%0.248CC..  trans-53.4123.8171.900000110.5S352 R355 T363S352-A358 WeakPolarHBondContact O-CB 3.39Å; R355-A358 WeakPolarHBondContact O-CB 3.28Å; R355-A358 PolarHBondContact O-N 2.9Å; A358-T363 HydrophobicContact CB-CG2 4.35Å; A358-T363 WeakPolarHBondContact O-CG2 3.47Å
359S90.7Very high93Very high84 Ų8436.1 Ų36.159%0.58722%0.223SC*.  trans-141.886.6-177.8177.20000109.1G357 W364G357-S359 PolarHBondContact O-N 3.48Å; S359-W364 WeakPolarHBondContact OG-CZ2 3.43Å; S359-W364 PolarHBondContact OG-NE1 3.49Å
360C92.8Very high92.8Very high29 Ų2937.7 Ų37.720%0.19623%0.228CC..SBendtrans-137.1164.9173.372.30000109.8A362 T363 W364C360-A362 PolarHBondContact O-N 3.43Å; C360-A362 VanDerWaalsContact O-N 3.11Å; C360-T363 WeakPolarHBondContact O-CB 3.48Å; C360-T363 PolarHBondContact O-N 3.02Å; C360-T363 PolarHBondContact SG-OG1 3.21Å; C360-W364 PolarHBondContact O-N 2.92Å; C360-W364 VanDerWaalsContact O-N 3.09Å
361P95.2Very high92.7Very high36 Ų3638.4 Ų38.423%0.23423%0.233CC..Hα-helixtrans-49.4-38.4178.1-31.537.9000114.2W364 L365 I386 E391 A395P361-W364 HydrophobicContact CB-CE3 4.37Å; P361-W364 HydrophobicContact CG-CE3 4.35Å; P361-W364 HydrophobicContact CG-CZ3 4.06Å; P361-W364 PolarHBondContact O-N 3.41Å; P361-L365 WeakPolarHBondContact O-CB 3.33Å; P361-L365 PolarHBondContact O-N 3.02Å; P361-I386 HydrophobicContact CB-CG1 4.34Å; P361-I386 WeakPolarHBondContact O-CD1 3.48Å; P361-E391 HydrophobicContact CG-CB 4.41Å; P361-A395 HydrophobicContact CB-CB 3.81Å
362A95.6Very high92.6Very high2 Ų241 Ų412%0.01725%0.247CC..Hα-helixtrans-67.6-39.5177.800000112.9L353 C360 W364 L365 L366 A395 H398L353-A362 VanDerWaalsContact CD2-C 3.46Å; L353-A362 HydrophobicContact CD2-CB 3.67Å; L353-A362 HydrophobicContact CG-CB 4.43Å; C360-A362 PolarHBondContact O-N 3.43Å; C360-A362 VanDerWaalsContact O-N 3.11Å; A362-W364 VanDerWaalsContact C-N 3.34Å; A362-L365 PolarHBondContact O-N 3.43Å; A362-L366 WeakPolarHBondContact O-CB 3.43Å; A362-L366 PolarHBondContact O-N 3.25Å; A362-A395 HydrophobicContact CB-CB 4.45Å; A362-H398 HydrophobicContact CB-CB 3.75Å
363T95Very high92.5Very high15 Ų1542.8 Ų42.89%0.09225%0.248CC..Hα-helixtrans-65.7-39.7176.7-52.50000111.4S352 A358 C360 L366 S367S352-T363 PolarHBondContact O-OG1 3.4Å; A358-T363 HydrophobicContact CB-CG2 4.35Å; A358-T363 WeakPolarHBondContact O-CG2 3.47Å; C360-T363 WeakPolarHBondContact O-CB 3.48Å; C360-T363 PolarHBondContact O-N 3.02Å; C360-T363 PolarHBondContact SG-OG1 3.21Å; T363-L366 PolarHBondContact O-N 2.86Å; T363-S367 WeakPolarHBondContact O-CB 3.13Å; T363-S367 PolarHBondContact O-N 3.02Å; T363-S367 PolarHBondContact O-OG 3.48Å
364W95.1Very high92.4Very high64 Ų6448.7 Ų48.724%0.24228%0.278CS..Hα-helixtrans-67.2-44.2176.2-55.7-32.1000111.3S359 C360 P361 A362 L366 S367 A368 Y382 P385 I386S359-W364 WeakPolarHBondContact OG-CZ2 3.43Å; S359-W364 PolarHBondContact OG-NE1 3.49Å; C360-W364 PolarHBondContact O-N 2.92Å; C360-W364 VanDerWaalsContact O-N 3.09Å; P361-W364 HydrophobicContact CB-CE3 4.37Å; P361-W364 HydrophobicContact CG-CE3 4.35Å; P361-W364 HydrophobicContact CG-CZ3 4.06Å; P361-W364 PolarHBondContact O-N 3.41Å; A362-W364 VanDerWaalsContact C-N 3.34Å; W364-L366 VanDerWaalsContact C-N 3.34Å; W364-L366 PolarHBondContact O-N 3.03Å; W364-S367 PolarHBondContact O-N 3.1Å; W364-A368 WeakPolarHBondContact O-CB 3.44Å; W364-A368 PolarHBondContact O-N 3.43Å; W364-Y382 WeakPolarHBondContact CB-O 3.27Å; W364-P385 HydrophobicContact CD2-CB 3.92Å; W364-P385 HydrophobicContact CD2-CG 4.31Å; W364-P385 HydrophobicContact CE3-CB 3.47Å; W364-P385 VanDerWaalsContact CE3-CB 3.47Å; W364-P385 HydrophobicContact CE3-CG 4.31Å; W364-P385 HydrophobicContact CH2-CB 3.85Å; W364-P385 HydrophobicContact CZ2-CB 4.24Å; W364-P385 HydrophobicContact CZ3-CB 3.45Å; W364-P385 VanDerWaalsContact CZ3-CB 3.45Å; W364-I386 HydrophobicContact CB-CD1 4.39Å; W364-I386 HydrophobicContact CE3-CG1 3.88Å
365L95.8Very high92.4Very high0 Ų055.2 Ų55.20%031%0.31CS..Hα-helixtrans-60.3-42.2175.1-178.760.7000112.2P361 A362 A368 S369 L383 I386 M392 A395 I396 S419P361-L365 WeakPolarHBondContact O-CB 3.33Å; P361-L365 PolarHBondContact O-N 3.02Å; A362-L365 PolarHBondContact O-N 3.43Å; L365-A368 PolarHBondContact O-N 2.67Å; L365-S369 WeakPolarHBondContact O-CB 3.13Å; L365-S369 PolarHBondContact O-N 3.31Å; L365-L383 HydrophobicContact CD1-CD2 4.18Å; L365-I386 HydrophobicContact CB-CD1 4.08Å; L365-M392 HydrophobicContact CD1-SD 4.27Å; L365-M392 HydrophobicContact CD2-SD 4.33Å; L365-A395 HydrophobicContact CB-CB 4.37Å; L365-A395 HydrophobicContact CD2-CB 3.91Å; L365-I396 HydrophobicContact CD2-CG1 4.26Å; L365-S419 WeakPolarHBondContact CD2-O 3.21Å
366L94.9Very high92.4Very high11 Ų1152.8 Ų52.86%0.05831%0.308CS..Hα-helixtrans-62.5-44.3174.5179.660.4000111.7L4 L353 A362 T363 W364 S369 K370 L416 S419L4-L366 HydrophobicContact CD2-CD2 4.23Å; L353-L366 HydrophobicContact CD2-CB 4.48Å; L353-L366 HydrophobicContact CD2-CD2 4.17Å; A362-L366 WeakPolarHBondContact O-CB 3.43Å; A362-L366 PolarHBondContact O-N 3.25Å; T363-L366 PolarHBondContact O-N 2.86Å; W364-L366 VanDerWaalsContact C-N 3.34Å; W364-L366 PolarHBondContact O-N 3.03Å; L366-S369 PolarHBondContact O-N 2.96Å; L366-K370 WeakPolarHBondContact O-CG 3.31Å; L366-K370 PolarHBondContact O-N 3.32Å; L366-L416 HydrophobicContact CD1-CD2 4.19Å; L366-L416 HydrophobicContact CD2-CD2 4.01Å; L366-S419 WeakPolarHBondContact CD1-OG 3.45Å
367S93.5Very high92.5Very high35 Ų3548.5 Ų48.525%0.24530%0.303CS..Hα-helixtrans-65.9-37.7177.9-58.70000112.2T363 W364 S371T363-S367 WeakPolarHBondContact O-CB 3.13Å; T363-S367 PolarHBondContact O-N 3.02Å; T363-S367 PolarHBondContact O-OG 3.48Å; W364-S367 PolarHBondContact O-N 3.1Å; S367-S371 WeakPolarHBondContact O-CB 3.37Å; S367-S371 PolarHBondContact O-N 3.49Å; S367-S371 PolarHBondContact O-OG 3.21Å
368A94.9Very high92.6Very high0 Ų052.4 Ų52.40%029%0.294CS..Hα-helixtrans-62.5-47.5173.600000111.4W364 L365 S371 L372 T379 L383W364-A368 WeakPolarHBondContact O-CB 3.44Å; W364-A368 PolarHBondContact O-N 3.43Å; L365-A368 PolarHBondContact O-N 2.67Å; A368-S371 PolarHBondContact O-N 3.28Å; A368-L372 VanDerWaalsContact O-CB 3.3Å; A368-L372 WeakPolarHBondContact O-CB 3.37Å; A368-L372 PolarHBondContact O-N 3.43Å; A368-T379 HydrophobicContact CB-CG2 4.18Å; A368-T379 WeakPolarHBondContact O-CG2 3.18Å; A368-T379 PolarHBondContact O-OG1 3.17Å; A368-L383 HydrophobicContact CB-CD1 4.37Å; A368-L383 HydrophobicContact CB-CD2 3.52Å; A368-L383 HydrophobicContact CB-CG 3.64Å
369S94.8Very high92.6Very high7 Ų751.8 Ų51.85%0.04929%0.288CS..Hα-helixtrans-59.7-46.6176.6179.10000112.1L365 L366 L372 K373 S419L365-S369 WeakPolarHBondContact O-CB 3.13Å; L365-S369 PolarHBondContact O-N 3.31Å; L366-S369 PolarHBondContact O-N 2.96Å; S369-L372 PolarHBondContact O-N 3.3Å; S369-K373 PolarHBondContact O-N 3.45Å; S369-K373 VanDerWaalsContact O-N 3.15Å; S369-S419 WeakPolarHBondContact CB-OG 3.49Å; S369-S419 PolarHBondContact OG-OG 3.2Å
370K92.3Very high92.6Very high49 Ų4952.5 Ų52.521%0.21329%0.285CS..Hα-helixtrans-61.9-45.2175.6-73.1-174.5177.5-160.60112.3L366 L372 K373 I374 E415L366-K370 WeakPolarHBondContact O-CG 3.31Å; L366-K370 PolarHBondContact O-N 3.32Å; K370-L372 VanDerWaalsContact C-N 3.28Å; K370-L372 PolarHBondContact O-N 3.45Å; K370-K373 PolarHBondContact O-N 2.9Å; K370-I374 PolarHBondContact O-N 3.47Å; K370-E415 WeakPolarHBondContact CE-OE2 3.34Å; K370-E415 IonicContact NZ-OE2 2.63Å; K370-E415 PolarHBondContact NZ-OE2 3.25Å
371S92.4Very high92.7Very high16 Ų1655.6 Ų55.611%0.11230%0.3CS..Hα-helixtrans-63.8-35.6177.7-61.50000112S367 A368 I374 N375 C376 T379 Y382S367-S371 WeakPolarHBondContact O-CB 3.37Å; S367-S371 PolarHBondContact O-N 3.49Å; S367-S371 PolarHBondContact O-OG 3.21Å; A368-S371 PolarHBondContact O-N 3.28Å; S371-I374 PolarHBondContact O-N 3.01Å; S371-N375 PolarHBondContact O-N 3.27Å; S371-C376 WeakPolarHBondContact O-CB 3.12Å; S371-C376 PolarHBondContact O-N 2.91Å; S371-T379 VanDerWaalsContact C-OG1 3.24Å; S371-T379 VanDerWaalsContact CB-OG1 3.29Å; S371-T379 WeakPolarHBondContact CB-OG1 3.4Å; S371-Y382 VanDerWaalsContact OG-CE2 3.22Å; S371-Y382 WeakPolarHBondContact OG-CE2 3.46Å
372L92.7Very high92.6Very high81 Ų8157.6 Ų57.642%0.42430%0.303SS..Hα-helixtrans-66.6-41.3-179.9-176.962.3000110.9A368 S369 K370 I374 N375 T379 L422A368-L372 VanDerWaalsContact O-CB 3.3Å; A368-L372 WeakPolarHBondContact O-CB 3.37Å; A368-L372 PolarHBondContact O-N 3.43Å; S369-L372 PolarHBondContact O-N 3.3Å; K370-L372 VanDerWaalsContact C-N 3.28Å; K370-L372 PolarHBondContact O-N 3.45Å; L372-I374 PolarHBondContact O-N 2.95Å; L372-N375 PolarHBondContact O-N 3.14Å; L372-T379 VanDerWaalsContact CA-OG1 3.26Å; L372-T379 WeakPolarHBondContact CA-OG1 3.41Å; L372-T379 HydrophobicContact CB-CG2 4.03Å; L372-T379 HydrophobicContact CD1-CG2 4.35Å; L372-T379 PolarHBondContact N-OG1 3.2Å; L372-L422 HydrophobicContact CD2-CD1 3.77Å; L372-L422 HydrophobicContact CD2-CD2 4.05Å
373K90.8Very high92.4Very high89 Ų8959 Ų5939%0.38731%0.31SS..Hα-helixtrans-60.3-31.6176.2-71.5179.8-178.8-176.90113.7S369 K370 N375 E418S369-K373 PolarHBondContact O-N 3.45Å; S369-K373 VanDerWaalsContact O-N 3.15Å; K370-K373 PolarHBondContact O-N 2.9Å; K373-N375 VanDerWaalsContact C-N 3.27Å; K373-E418 WeakPolarHBondContact CE-OE2 3.31Å; K373-E418 IonicContact NZ-OE2 3.2Å; K373-E418 PolarHBondContact NZ-OE2 3.3Å
374I91.7Very high92.3Very high132 Ų13263.3 Ų63.368%0.67733%0.332SS*.THydrogen-bonded Turntrans-91.37.2179-47170.2000110.4K370 S371 L372 C376K370-I374 PolarHBondContact O-N 3.47Å; S371-I374 PolarHBondContact O-N 3.01Å; L372-I374 PolarHBondContact O-N 2.95Å; I374-C376 PolarHBondContact O-N 3.47Å
375N90.3Very high92.2Very high151 Ų15162.7 Ų62.781%0.80734%0.336SS*.THydrogen-bonded Turntrans54.936.7-175.9-61.4-46.6000113.3S371 L372 K373S371-N375 PolarHBondContact O-N 3.27Å; L372-N375 PolarHBondContact O-N 3.14Å; K373-N375 VanDerWaalsContact C-N 3.27Å
376C89.7Confident92Very high47 Ų4763.1 Ų63.132%0.31834%0.338SS..  trans-90.3128.5179.6-175.20000110.9S371 I374 R378 T379S371-C376 WeakPolarHBondContact O-CB 3.12Å; S371-C376 PolarHBondContact O-N 2.91Å; I374-C376 PolarHBondContact O-N 3.47Å; C376-R378 PolarHBondContact O-N 3.44Å; C376-T379 PolarHBondContact O-N 2.91Å; C376-T379 PolarHBondContact O-OG1 3.08Å
377G87.7Confident91.7Very high68 Ų6870.4 Ų70.470%0.70137%0.37SS*.THydrogen-bonded Turntrans-60-18177.600000114.7T379 N380G377-T379 PolarHBondContact O-N 3.29Å; G377-T379 VanDerWaalsContact O-N 3.09Å; G377-N380 PolarHBondContact O-N 2.52Å
378R89.5Confident91.4Very high157 Ų15774.1 Ų74.159%0.59238%0.383SS*.THydrogen-bonded Turntrans-61.7-13.9175.4-66.7-175.5-177.8171.11.2113.8C376 N380 D381 Y382C376-R378 PolarHBondContact O-N 3.44Å; R378-N380 PolarHBondContact O-N 3.03Å; R378-D381 WeakPolarHBondContact O-CB 3.38Å; R378-D381 PolarHBondContact O-N 3.16Å; R378-Y382 HydrophobicContact CB-CD2 4.43Å; R378-Y382 HydrophobicContact CB-CE2 4Å; R378-Y382 WeakPolarHBondContact O-CD2 3.32Å; R378-Y382 PolarHBondContact O-N 3.08Å
379T89.8Confident91.1Very high15 Ų1576.1 Ų76.19%0.09240%0.396CS..Hα-helixtrans-49.4-42.5171.4-65.20000111.7A368 S371 L372 C376 G377 Y382 L383A368-T379 HydrophobicContact CB-CG2 4.18Å; A368-T379 WeakPolarHBondContact O-CG2 3.18Å; A368-T379 PolarHBondContact O-OG1 3.17Å; S371-T379 VanDerWaalsContact C-OG1 3.24Å; S371-T379 VanDerWaalsContact CB-OG1 3.29Å; S371-T379 WeakPolarHBondContact CB-OG1 3.4Å; L372-T379 VanDerWaalsContact CA-OG1 3.26Å; L372-T379 WeakPolarHBondContact CA-OG1 3.41Å; L372-T379 HydrophobicContact CB-CG2 4.03Å; L372-T379 HydrophobicContact CD1-CG2 4.35Å; L372-T379 PolarHBondContact N-OG1 3.2Å; C376-T379 PolarHBondContact O-N 2.91Å; C376-T379 PolarHBondContact O-OG1 3.08Å; G377-T379 PolarHBondContact O-N 3.29Å; G377-T379 VanDerWaalsContact O-N 3.09Å; T379-Y382 PolarHBondContact O-N 2.96Å; T379-L383 HydrophobicContact CG2-CD1 3.99Å; T379-L383 WeakPolarHBondContact O-CG 3.45Å; T379-L383 PolarHBondContact O-N 3.29Å
380N90.4Very high90.9Very high98 Ų9880.5 Ų80.552%0.52442%0.419SS..Hα-helixtrans-64.1-43.1179.1-167.141.6000111.3G377 R378 Y382 L383 L384G377-N380 PolarHBondContact O-N 2.52Å; R378-N380 PolarHBondContact O-N 3.03Å; N380-Y382 PolarHBondContact O-N 3Å; N380-L383 PolarHBondContact O-N 2.95Å; N380-L384 WeakPolarHBondContact O-CG 3.41Å; N380-L384 PolarHBondContact O-N 2.95Å
381D93.7Very high90.9Very high95 Ų9581.1 Ų81.151%0.50842%0.422SS..Hα-helixtrans-57.9-36.9179.4-55.6-22.9000112.3R378 P385R378-D381 WeakPolarHBondContact O-CB 3.38Å; R378-D381 PolarHBondContact O-N 3.16Å; D381-P385 WeakPolarHBondContact O-CD 3.3Å
382Y93.4Very high91Very high78 Ų7880.6 Ų80.631%0.30642%0.418SS..Hα-helixtrans-76.2-25.3175.5-65.3-62.2000113.5W364 S371 R378 T379 N380 P385W364-Y382 WeakPolarHBondContact CB-O 3.27Å; S371-Y382 VanDerWaalsContact OG-CE2 3.22Å; S371-Y382 WeakPolarHBondContact OG-CE2 3.46Å; R378-Y382 HydrophobicContact CB-CD2 4.43Å; R378-Y382 HydrophobicContact CB-CE2 4Å; R378-Y382 WeakPolarHBondContact O-CD2 3.32Å; R378-Y382 PolarHBondContact O-N 3.08Å; T379-Y382 PolarHBondContact O-N 2.96Å; N380-Y382 PolarHBondContact O-N 3Å; Y382-P385 WeakPolarHBondContact O-CD 3.47Å
383L92.9Very high91.1Very high31 Ų3177.4 Ų77.416%0.16240%0.402CS..Hα-helixtrans-85.5-29.1178.8-67.6174.6000112.8L365 A368 T379 N380 P385 I386 L426L365-L383 HydrophobicContact CD1-CD2 4.18Å; A368-L383 HydrophobicContact CB-CD1 4.37Å; A368-L383 HydrophobicContact CB-CD2 3.52Å; A368-L383 HydrophobicContact CB-CG 3.64Å; T379-L383 HydrophobicContact CG2-CD1 3.99Å; T379-L383 WeakPolarHBondContact O-CG 3.45Å; T379-L383 PolarHBondContact O-N 3.29Å; N380-L383 PolarHBondContact O-N 2.95Å; L383-P385 VanDerWaalsContact C-N 3.29Å; L383-P385 VanDerWaalsContact O-N 3.16Å; L383-I386 PolarHBondContact O-N 3.07Å; L383-L426 HydrophobicContact CD1-CD1 3.67Å; L383-L426 HydrophobicContact CD1-CD2 4.45Å; L383-L426 HydrophobicContact CD2-CD1 3.61Å; L383-L426 HydrophobicContact CG-CD1 4.28Å
384L91.6Very high91.2Very high106 Ų10678.3 Ų78.356%0.55541%0.41SS*.THydrogen-bonded Turntrans-49.3-37.4180-76.1174.3000115.2N380 I386N380-L384 WeakPolarHBondContact O-CG 3.41Å; N380-L384 PolarHBondContact O-N 2.95Å; L384-I386 VanDerWaalsContact C-N 3.33Å; L384-I386 PolarHBondContact O-N 3.11Å
385P92.8Very high91.4Very high50 Ų5072 Ų7233%0.32538%0.379SS..THydrogen-bonded Turntrans-69.7-23.2178.4-23.136.5000114.6W364 D381 Y382 L383 K387W364-P385 HydrophobicContact CD2-CB 3.92Å; W364-P385 HydrophobicContact CD2-CG 4.31Å; W364-P385 HydrophobicContact CE3-CB 3.47Å; W364-P385 VanDerWaalsContact CE3-CB 3.47Å; W364-P385 HydrophobicContact CE3-CG 4.31Å; W364-P385 HydrophobicContact CH2-CB 3.85Å; W364-P385 HydrophobicContact CZ2-CB 4.24Å; W364-P385 HydrophobicContact CZ3-CB 3.45Å; W364-P385 VanDerWaalsContact CZ3-CB 3.45Å; D381-P385 WeakPolarHBondContact O-CD 3.3Å; Y382-P385 WeakPolarHBondContact O-CD 3.47Å; L383-P385 VanDerWaalsContact C-N 3.29Å; L383-P385 VanDerWaalsContact O-N 3.16Å; P385-K387 PolarHBondContact O-N 3.01Å
386I92.6Very high91.7Very high10 Ų1064.9 Ų64.95%0.05134%0.34CS..  trans-87.392.5-179.1-50.2174.3000108.6P361 W364 L365 L383 L384 E391 M392P361-I386 HydrophobicContact CB-CG1 4.34Å; P361-I386 WeakPolarHBondContact O-CD1 3.48Å; W364-I386 HydrophobicContact CB-CD1 4.39Å; W364-I386 HydrophobicContact CE3-CG1 3.88Å; L365-I386 HydrophobicContact CB-CD1 4.08Å; L383-I386 PolarHBondContact O-N 3.07Å; L384-I386 VanDerWaalsContact C-N 3.33Å; L384-I386 PolarHBondContact O-N 3.11Å; I386-E391 HydrophobicContact CG2-CB 4.05Å; I386-M392 HydrophobicContact CB-CE 4.23Å; I386-M392 HydrophobicContact CD1-CE 4.27Å; I386-M392 HydrophobicContact CD1-SD 4.49Å; I386-M392 HydrophobicContact CG2-CB 3.93Å; I386-M392 HydrophobicContact CG2-CE 3.72Å; I386-M392 HydrophobicContact CG2-SD 4.25Å
387K87.2Confident92Very high164 Ų16465 Ų6571%0.71334%0.342SS*.  trans-97.2-34.4-170.4-65.1-177.7-176.5178.70112.7P385 E391 M430P385-K387 PolarHBondContact O-N 3.01Å; K387-E391 PolarHBondContact N-OE2 3.39Å; K387-M430 VanDerWaalsContact O-CE 3.31Å; K387-M430 WeakPolarHBondContact O-CE 3.45Å
388Q88.2Confident92.5Very high113 Ų11364.3 Ų64.353%0.52832%0.32SS..SBendtrans-99.6143.5-173.3-57.5-172.53.500111.4N390 E391 M392Q388-N390 PolarHBondContact O-N 3.32Å; Q388-E391 HydrophobicContact CB-CB 4.48Å; Q388-E391 HydrophobicContact CB-CG 4.06Å; Q388-E391 PolarHBondContact N-OE2 3.46Å; Q388-E391 VanDerWaalsContact N-OE2 3.08Å; Q388-E391 PolarHBondContact O-N 3Å; Q388-E391 VanDerWaalsContact O-N 3.16Å; Q388-M392 PolarHBondContact O-N 3.28Å
389P89.3Confident92.8Very high41 Ų4156.8 Ų56.827%0.26629%0.292SS..Hα-helixtrans-54.8-35.9173.5-27.535.4000113.4M392 I393 L427 M430P389-M392 WeakPolarHBondContact O-CB 3.22Å; P389-M392 PolarHBondContact O-N 3.33Å; P389-I393 WeakPolarHBondContact O-CG1 3.34Å; P389-I393 PolarHBondContact O-N 3.46Å; P389-L427 HydrophobicContact CB-CD1 3.82Å; P389-M430 HydrophobicContact CG-CE 4.47Å
390N89.7Confident93.2Very high99 Ų9956.1 Ų56.153%0.52929%0.287SS..Hα-helixtrans-66-42.3178.1-68.3-9.7000112.3Q388 M392 I393 D394Q388-N390 PolarHBondContact O-N 3.32Å; N390-M392 PolarHBondContact O-N 3.36Å; N390-I393 WeakPolarHBondContact O-CB 3.44Å; N390-I393 PolarHBondContact O-N 3.05Å; N390-I393 VanDerWaalsContact O-N 3.15Å; N390-D394 PolarHBondContact O-N 2.93Å
391E92.3Very high93.5Very high62 Ų6254.1 Ų54.129%0.2928%0.275SS..Hα-helixtrans-61.2-36.1174.8-66.1171.7156.500111.5P361 I386 K387 Q388 A395P361-E391 HydrophobicContact CG-CB 4.41Å; I386-E391 HydrophobicContact CG2-CB 4.05Å; K387-E391 PolarHBondContact N-OE2 3.39Å; Q388-E391 HydrophobicContact CB-CB 4.48Å; Q388-E391 HydrophobicContact CB-CG 4.06Å; Q388-E391 PolarHBondContact N-OE2 3.46Å; Q388-E391 VanDerWaalsContact N-OE2 3.08Å; Q388-E391 PolarHBondContact O-N 3Å; Q388-E391 VanDerWaalsContact O-N 3.16Å; E391-A395 WeakPolarHBondContact O-CB 3.49Å; E391-A395 PolarHBondContact O-N 3.39Å
392M94.5Very high93.6Very high5 Ų549.6 Ų49.63%0.02525%0.251CS..Hα-helixtrans-69.7-40.5175.1-173.866.275.800111.8L365 I386 Q388 P389 N390 D394 A395 I396 L426 L427 M430L365-M392 HydrophobicContact CD1-SD 4.27Å; L365-M392 HydrophobicContact CD2-SD 4.33Å; I386-M392 HydrophobicContact CB-CE 4.23Å; I386-M392 HydrophobicContact CD1-CE 4.27Å; I386-M392 HydrophobicContact CD1-SD 4.49Å; I386-M392 HydrophobicContact CG2-CB 3.93Å; I386-M392 HydrophobicContact CG2-CE 3.72Å; I386-M392 HydrophobicContact CG2-SD 4.25Å; Q388-M392 PolarHBondContact O-N 3.28Å; P389-M392 WeakPolarHBondContact O-CB 3.22Å; P389-M392 PolarHBondContact O-N 3.33Å; N390-M392 PolarHBondContact O-N 3.36Å; M392-D394 VanDerWaalsContact C-N 3.34Å; M392-A395 WeakPolarHBondContact O-CB 3.17Å; M392-A395 PolarHBondContact O-N 3.5Å; M392-I396 HydrophobicContact CG-CD1 3.99Å; M392-I396 WeakPolarHBondContact O-CD1 3.23Å; M392-I396 WeakPolarHBondContact O-CG1 3.47Å; M392-I396 PolarHBondContact O-N 3.32Å; M392-L426 HydrophobicContact CE-CB 4Å; M392-L426 HydrophobicContact CE-CD1 4.22Å; M392-L427 HydrophobicContact CB-CD1 4.27Å; M392-L427 HydrophobicContact CG-CB 3.89Å; M392-L427 HydrophobicContact CG-CD1 4.33Å; M392-M430 HydrophobicContact CB-SD 4.39Å; M392-M430 HydrophobicContact CE-SD 4.01Å; M392-M430 HydrophobicContact CG-SD 4.47Å
393I94.1Very high93.8Very high15 Ų1545.9 Ų45.98%0.07724%0.236CC..Hα-helixtrans-59.2-46.8174.2-72.8163.9000110.5P389 N390 I396 S397 L427 V454 K457 L461P389-I393 WeakPolarHBondContact O-CG1 3.34Å; P389-I393 PolarHBondContact O-N 3.46Å; N390-I393 WeakPolarHBondContact O-CB 3.44Å; N390-I393 PolarHBondContact O-N 3.05Å; N390-I393 VanDerWaalsContact O-N 3.15Å; I393-I396 PolarHBondContact O-N 3Å; I393-S397 WeakPolarHBondContact O-CB 3.28Å; I393-S397 PolarHBondContact O-N 3.42Å; I393-L427 HydrophobicContact CD1-CD2 4.34Å; I393-L427 HydrophobicContact CG1-CD1 4.25Å; I393-L427 HydrophobicContact CG1-CD2 3.54Å; I393-V454 HydrophobicContact CD1-CG1 4.15Å; I393-K457 HydrophobicContact CD1-CG 4.05Å; I393-K457 HydrophobicContact CG1-CG 4.42Å; I393-K457 HydrophobicContact CG2-CG 3.99Å; I393-L461 HydrophobicContact CG1-CD1 4.32Å; I393-L461 HydrophobicContact CG2-CD1 4.19Å
394D93.5Very high93.9Very high107 Ų10744.5 Ų44.557%0.57223%0.229SC*.Hα-helixtrans-64-42.8178-67.9-20.9000110.8N390 M392 I396 S397 H398N390-D394 PolarHBondContact O-N 2.93Å; M392-D394 VanDerWaalsContact C-N 3.34Å; D394-I396 PolarHBondContact O-N 3.37Å; D394-S397 PolarHBondContact O-N 3.49Å; D394-H398 WeakPolarHBondContact O-CB 3.39Å; D394-H398 PolarHBondContact O-N 2.76Å
395A96.2Very high94.1Very high1 Ų140.9 Ų40.91%0.00821%0.209CC..Hα-helixtrans-58.2-46.7174.700000112.4P361 A362 L365 E391 M392 H398 C399P361-A395 HydrophobicContact CB-CB 3.81Å; A362-A395 HydrophobicContact CB-CB 4.45Å; L365-A395 HydrophobicContact CB-CB 4.37Å; L365-A395 HydrophobicContact CD2-CB 3.91Å; E391-A395 WeakPolarHBondContact O-CB 3.49Å; E391-A395 PolarHBondContact O-N 3.39Å; M392-A395 WeakPolarHBondContact O-CB 3.17Å; M392-A395 PolarHBondContact O-N 3.5Å; A395-H398 PolarHBondContact O-N 2.87Å; A395-C399 PolarHBondContact O-N 3.46Å; A395-C399 PolarHBondContact O-SG 3.4Å; A395-C399 VanDerWaalsContact O-SG 3.37Å
396I97Very high94.1Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-62.8-50.1178.2-65.7158.4000110.1L365 M392 I393 D394 H398 C399 I400 A420 G423 R424 L427 L461L365-I396 HydrophobicContact CD2-CG1 4.26Å; M392-I396 HydrophobicContact CG-CD1 3.99Å; M392-I396 WeakPolarHBondContact O-CD1 3.23Å; M392-I396 WeakPolarHBondContact O-CG1 3.47Å; M392-I396 PolarHBondContact O-N 3.32Å; I393-I396 PolarHBondContact O-N 3Å; D394-I396 PolarHBondContact O-N 3.37Å; I396-H398 VanDerWaalsContact C-N 3.29Å; I396-H398 PolarHBondContact O-N 3.43Å; I396-C399 PolarHBondContact O-N 3.1Å; I396-I400 HydrophobicContact CG2-CD1 3.8Å; I396-I400 VanDerWaalsContact O-CG1 3.29Å; I396-I400 WeakPolarHBondContact O-CG1 2.9Å; I396-I400 PolarHBondContact O-N 3.09Å; I396-A420 HydrophobicContact CG2-CB 4.07Å; I396-G423 VanDerWaalsContact CD1-C 3.43Å; I396-R424 HydrophobicContact CD1-CG 3.97Å; I396-R424 HydrophobicContact CG1-CG 4.47Å; I396-R424 HydrophobicContact CG2-CG 3.93Å; I396-L427 HydrophobicContact CD1-CB 4.24Å; I396-L427 HydrophobicContact CD1-CD2 3.88Å; I396-L461 HydrophobicContact CB-CD1 4.3Å; I396-L461 HydrophobicContact CD1-CD1 4.23Å; I396-L461 HydrophobicContact CG2-CB 4.46Å; I396-L461 HydrophobicContact CG2-CD1 4.04Å; I396-L461 HydrophobicContact CG2-CD2 4.21Å; I396-L461 HydrophobicContact CG2-CG 4.49Å
397S96.3Very high93.8Very high50 Ų5038.6 Ų38.635%0.3520%0.195SC..Hα-helixtrans-60.2-41.1-179.6-169.70000111.3I393 D394 I400 E401I393-S397 WeakPolarHBondContact O-CB 3.28Å; I393-S397 PolarHBondContact O-N 3.42Å; D394-S397 PolarHBondContact O-N 3.49Å; S397-I400 PolarHBondContact O-N 3.11Å; S397-E401 WeakPolarHBondContact O-CB 3.4Å; S397-E401 PolarHBondContact O-N 3.26Å
398H96.9Very high93.7Very high53 Ų5333.1 Ų33.125%0.24518%0.175CC..Hα-helixtrans-67.2-43.9178.2-162.1133.3000111.3P349 S352 A362 D394 A395 I396 I400 E401 A402P349-H398 PolarHBondContact O-NE2 3.13Å; S352-H398 VanDerWaalsContact CB-CE1 3.46Å; S352-H398 WeakPolarHBondContact CB-CE1 3.19Å; A362-H398 HydrophobicContact CB-CB 3.75Å; D394-H398 WeakPolarHBondContact O-CB 3.39Å; D394-H398 PolarHBondContact O-N 2.76Å; A395-H398 PolarHBondContact O-N 2.87Å; I396-H398 VanDerWaalsContact C-N 3.29Å; I396-H398 PolarHBondContact O-N 3.43Å; H398-I400 VanDerWaalsContact C-N 3.3Å; H398-I400 PolarHBondContact O-N 3.26Å; H398-E401 PolarHBondContact O-N 3.36Å; H398-A402 VanDerWaalsContact O-CB 3.24Å; H398-A402 WeakPolarHBondContact O-CB 3.45Å; H398-A402 PolarHBondContact O-N 3.13Å
399C97.3Very high93.9Very high0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-59.3-40.9173.7-740000112.1A395 I396 A403 A420A395-C399 PolarHBondContact O-N 3.46Å; A395-C399 PolarHBondContact O-SG 3.4Å; A395-C399 VanDerWaalsContact O-SG 3.37Å; I396-C399 PolarHBondContact O-N 3.1Å; C399-A403 WeakPolarHBondContact O-CB 3.29Å; C399-A403 PolarHBondContact O-N 3.09Å; C399-A420 HydrophobicContact CB-CB 3.99Å
400I97.2Very high94.1Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-64.5-48176.4-64.4162.5000110.7I396 S397 H398 A402 A403 C404 A420 L461 H464 A465 V468I396-I400 HydrophobicContact CG2-CD1 3.8Å; I396-I400 VanDerWaalsContact O-CG1 3.29Å; I396-I400 WeakPolarHBondContact O-CG1 2.9Å; I396-I400 PolarHBondContact O-N 3.09Å; S397-I400 PolarHBondContact O-N 3.11Å; H398-I400 VanDerWaalsContact C-N 3.3Å; H398-I400 PolarHBondContact O-N 3.26Å; I400-A402 VanDerWaalsContact C-N 3.35Å; I400-A402 PolarHBondContact O-N 3.2Å; I400-A403 WeakPolarHBondContact O-CB 3.03Å; I400-A403 PolarHBondContact O-N 3.47Å; I400-C404 PolarHBondContact O-N 2.65Å; I400-C404 PolarHBondContact O-SG 3.49Å; I400-C404 VanDerWaalsContact O-SG 3.38Å; I400-A420 HydrophobicContact CD1-CB 4.34Å; I400-A420 HydrophobicContact CG1-CB 3.69Å; I400-L461 HydrophobicContact CD1-CD2 4.43Å; I400-H464 VanDerWaalsContact CG2-CD2 3.44Å; I400-H464 WeakPolarHBondContact CG2-CD2 3.28Å; I400-A465 HydrophobicContact CD1-CB 3.81Å; I400-A465 HydrophobicContact CG1-CB 4.19Å; I400-V468 HydrophobicContact CG2-CB 3.97Å; I400-V468 HydrophobicContact CG2-CG1 4.17Å; I400-V468 HydrophobicContact CG2-CG2 3.66Å
401E96.5Very high94.2Very high57 Ų5731.9 Ų31.927%0.26617%0.173SC..Hα-helixtrans-65.6-37.7179.2-178.760.4-162.800111.6P349 S397 H398 A403 C404 H405P349-E401 HydrophobicContact CB-CB 4.5Å; P349-E401 HydrophobicContact CB-CG 3.96Å; P349-E401 HydrophobicContact CG-CG 3.68Å; S397-E401 WeakPolarHBondContact O-CB 3.4Å; S397-E401 PolarHBondContact O-N 3.26Å; H398-E401 PolarHBondContact O-N 3.36Å; E401-A403 VanDerWaalsContact C-N 3.31Å; E401-A403 PolarHBondContact O-N 3.25Å; E401-C404 WeakPolarHBondContact O-CB 3.44Å; E401-C404 PolarHBondContact O-N 3.48Å; E401-H405 PolarHBondContact O-CD2 3.45Å; E401-H405 IonicContact OE1-CD2 2.95Å; E401-H405 IonicContact OE1-CE1 3Å; E401-H405 IonicContact OE1-NE2 2.72Å; E401-H405 PolarHBondContact OE1-NE2 3.29Å
402A96.6Very high94.3Very high0 Ų029.4 Ų29.40%016%0.162CC..Hα-helixtrans-62.9-38.4173.200000112.1P349 L350 L353 H398 I400 C404 H405 A406 L416P349-A402 HydrophobicContact CB-CB 4.21Å; L350-A402 HydrophobicContact CD2-CB 4.07Å; L350-A402 WeakPolarHBondContact CD2-O 3.24Å; L353-A402 HydrophobicContact CD1-CB 3.16Å; H398-A402 VanDerWaalsContact O-CB 3.24Å; H398-A402 WeakPolarHBondContact O-CB 3.45Å; H398-A402 PolarHBondContact O-N 3.13Å; I400-A402 VanDerWaalsContact C-N 3.35Å; I400-A402 PolarHBondContact O-N 3.2Å; A402-C404 PolarHBondContact O-N 2.88Å; A402-H405 PolarHBondContact O-N 3.45Å; A402-A406 PolarHBondContact O-N 2.88Å; A402-L416 HydrophobicContact CB-CD1 3.99Å; A402-L416 HydrophobicContact CB-CD2 4.19Å
403A97Very high94.3Very high0 Ų029.6 Ų29.60%016%0.163CC..Hα-helixtrans-60.8-36.1175.800000111.6C399 I400 E401 H405 A406 L416 L417 L472C399-A403 WeakPolarHBondContact O-CB 3.29Å; C399-A403 PolarHBondContact O-N 3.09Å; I400-A403 WeakPolarHBondContact O-CB 3.03Å; I400-A403 PolarHBondContact O-N 3.47Å; E401-A403 VanDerWaalsContact C-N 3.31Å; E401-A403 PolarHBondContact O-N 3.25Å; A403-H405 PolarHBondContact O-N 2.99Å; A403-A406 PolarHBondContact O-N 3.31Å; A403-L416 HydrophobicContact CB-CB 3.81Å; A403-L416 HydrophobicContact CB-CD1 4.31Å; A403-L417 HydrophobicContact CB-CD2 3.95Å; A403-L417 HydrophobicContact CB-CG 3.84Å; A403-L472 HydrophobicContact CB-CD1 4.18Å
404C96.2Very high94.3Very high2 Ų234.2 Ų34.21%0.01418%0.184CC..Hα-helixtrans-53.1-42.6173.3-61.10000111.7I400 E401 A402 V468 W489I400-C404 PolarHBondContact O-N 2.65Å; I400-C404 PolarHBondContact O-SG 3.49Å; I400-C404 VanDerWaalsContact O-SG 3.38Å; E401-C404 WeakPolarHBondContact O-CB 3.44Å; E401-C404 PolarHBondContact O-N 3.48Å; A402-C404 PolarHBondContact O-N 2.88Å; C404-V468 VanDerWaalsContact SG-CG1 3.55Å; C404-W489 HydrophobicContact CB-CB 4.31Å; C404-W489 HydrophobicContact CB-CD2 3.49Å; C404-W489 VanDerWaalsContact CB-CD2 3.49Å; C404-W489 HydrophobicContact CB-CE3 3.88Å; C404-W489 HydrophobicContact CB-CG 3.67Å; C404-W489 HydrophobicContact CB-CZ2 4.17Å; C404-W489 HydrophobicContact CB-CZ3 4.37Å; C404-W489 VanDerWaalsContact O-CB 3.27Å; C404-W489 WeakPolarHBondContact O-CB 3.49Å; C404-W489 VanDerWaalsContact SG-CZ2 3.55Å
405H95.4Very high94.4Very high29 Ų2929.7 Ų29.713%0.13416%0.16CC..Hα-helixtrans-89.8-2.6-173-65.9-70.5000114.7R17 P347 L350 E401 A402 A403 T407R17-H405 PolarHBondContact NH1-O 2.97Å; R17-H405 PolarHBondContact NH2-O 2.98Å; P347-H405 HydrophobicContact CB-CB 3.71Å; P347-H405 HydrophobicContact CG-CB 3.88Å; L350-H405 VanDerWaalsContact CD1-C 3.49Å; L350-H405 HydrophobicContact CD1-CB 3.74Å; L350-H405 WeakPolarHBondContact CD1-O 3.37Å; L350-H405 HydrophobicContact CG-CB 4.03Å; E401-H405 PolarHBondContact O-CD2 3.45Å; E401-H405 IonicContact OE1-CD2 2.95Å; E401-H405 IonicContact OE1-CE1 3Å; E401-H405 IonicContact OE1-NE2 2.72Å; E401-H405 PolarHBondContact OE1-NE2 3.29Å; A402-H405 PolarHBondContact O-N 3.45Å; A403-H405 PolarHBondContact O-N 2.99Å; H405-T407 PolarHBondContact O-N 3.33Å
406A93.2Very high94.3Very high3 Ų329.7 Ų29.73%0.02516%0.16CC..  trans-75.957.7173.400000111.2A402 A403 V408 D409 C412 Q413 L416A402-A406 PolarHBondContact O-N 2.88Å; A403-A406 PolarHBondContact O-N 3.31Å; A406-V408 PolarHBondContact O-N 3.15Å; A406-D409 PolarHBondContact O-N 3.31Å; A406-C412 HydrophobicContact CB-CB 4.16Å; A406-Q413 HydrophobicContact CB-CG 3.7Å; A406-Q413 WeakPolarHBondContact O-CG 3.49Å; A406-Q413 PolarHBondContact O-NE2 2.93Å; A406-L416 HydrophobicContact CB-CD1 4.4Å
407T86.2Confident94.3Very high9 Ų931.2 Ų31.26%0.05517%0.168CC..THydrogen-bonded Turntrans-57127.2-174.9-560000112.1L19 H405 D409 T488L19-T407 HydrophobicContact CD1-CG2 4.31Å; H405-T407 PolarHBondContact O-N 3.33Å; T407-D409 PolarHBondContact O-N 2.89Å; T407-D409 VanDerWaalsContact O-N 3.13Å; T407-T488 HydrophobicContact CG2-CG2 3.94Å
408V84.9Confident94.3Very high49 Ų4931.7 Ų31.730%0.29717%0.165SC..THydrogen-bonded Turntrans57.921.8177.9-170.80000113L21 A406 P410 A479 A486L21-V408 HydrophobicContact CD2-CG2 4.11Å; A406-V408 PolarHBondContact O-N 3.15Å; V408-P410 WeakPolarHBondContact O-CD 3.32Å; V408-A479 HydrophobicContact CG2-CB 4.05Å; V408-A486 HydrophobicContact CG2-CB 4.28Å
409D91.7Very high94.2Very high54 Ų5429.2 Ų29.229%0.28915%0.153SC..  trans-122.780.8174-173.2-10.5000110.5A406 T407 I411 C412 Q413A406-D409 PolarHBondContact O-N 3.31Å; T407-D409 PolarHBondContact O-N 2.89Å; T407-D409 VanDerWaalsContact O-N 3.13Å; D409-I411 PolarHBondContact O-N 2.97Å; D409-I411 PolarHBondContact OD1-N 3.26Å; D409-C412 HydrophobicContact CB-CB 4.04Å; D409-C412 PolarHBondContact O-N 2.97Å; D409-C412 WeakPolarHBondContact OD1-CB 3.44Å; D409-C412 PolarHBondContact OD1-N 3.29Å; D409-C412 WeakPolarHBondContact OD2-CB 3.38Å; D409-Q413 WeakPolarHBondContact O-CG 3.39Å; D409-Q413 PolarHBondContact O-N 3.45Å
410P93.1Very high94.2Very high72 Ų7229.2 Ų29.247%0.46815%0.153SC..Hα-helixtrans-62.7-26.5-178.225.2-34000112.9V408 Q414V408-P410 WeakPolarHBondContact O-CD 3.32Å; P410-Q414 VanDerWaalsContact O-CB 3.3Å; P410-Q414 WeakPolarHBondContact O-CB 3.37Å; P410-Q414 PolarHBondContact O-N 2.99Å
411I92.3Very high94.1Very high101 Ų10134.9 Ų34.952%0.51818%0.179SC..Hα-helixtrans-70.3-50.5179.2-60.9174.5000109.2D409 Q413 Q414 E415D409-I411 PolarHBondContact O-N 2.97Å; D409-I411 PolarHBondContact OD1-N 3.26Å; I411-Q413 PolarHBondContact O-N 2.99Å; I411-Q414 PolarHBondContact O-N 2.99Å; I411-E415 WeakPolarHBondContact O-CG 3.29Å; I411-E415 PolarHBondContact O-N 2.87Å
412C93.6Very high94Very high10 Ų1034 Ų347%0.06818%0.177CC..Hα-helixtrans-62.4-42.6176.2-179.60000112.1A406 D409 Q414 E415 L416A406-C412 HydrophobicContact CB-CB 4.16Å; D409-C412 HydrophobicContact CB-CB 4.04Å; D409-C412 PolarHBondContact O-N 2.97Å; D409-C412 WeakPolarHBondContact OD1-CB 3.44Å; D409-C412 PolarHBondContact OD1-N 3.29Å; D409-C412 WeakPolarHBondContact OD2-CB 3.38Å; C412-Q414 VanDerWaalsContact C-N 3.31Å; C412-Q414 PolarHBondContact O-N 3.38Å; C412-E415 PolarHBondContact O-N 3.44Å; C412-L416 WeakPolarHBondContact O-CB 3.31Å; C412-L416 WeakPolarHBondContact O-CG 3.32Å; C412-L416 PolarHBondContact O-N 2.86Å
413Q95.4Very high93.9Very high10 Ų1034 Ų345%0.04718%0.177CC..Hα-helixtrans-55.7-46173.9-69.9168.615.400111.6A406 D409 I411 L417 L472 N476A406-Q413 HydrophobicContact CB-CG 3.7Å; A406-Q413 WeakPolarHBondContact O-CG 3.49Å; A406-Q413 PolarHBondContact O-NE2 2.93Å; D409-Q413 WeakPolarHBondContact O-CG 3.39Å; D409-Q413 PolarHBondContact O-N 3.45Å; I411-Q413 PolarHBondContact O-N 2.99Å; Q413-L417 WeakPolarHBondContact O-CB 3.42Å; Q413-L417 VanDerWaalsContact O-CG 3.26Å; Q413-L417 WeakPolarHBondContact O-CG 3.46Å; Q413-L417 PolarHBondContact O-N 2.97Å; Q413-L472 HydrophobicContact CB-CD1 4.22Å; Q413-L472 HydrophobicContact CG-CD1 4.01Å; Q413-L472 HydrophobicContact CG-CD2 4.4Å; Q413-N476 PolarHBondContact NE2-OD1 3.29Å; Q413-N476 VanDerWaalsContact NE2-OD1 3.1Å; Q413-N476 PolarHBondContact OE1-ND2 3.4Å; Q413-N476 PolarHBondContact OE1-OD1 2.95Å
414Q94.7Very high93.8Very high111 Ų11136.9 Ų36.952%0.51919%0.187SC..Hα-helixtrans-63.5-47.2178.2179.5177.3-3.100111.5P410 I411 C412 L416 L417 E418P410-Q414 VanDerWaalsContact O-CB 3.3Å; P410-Q414 WeakPolarHBondContact O-CB 3.37Å; P410-Q414 PolarHBondContact O-N 2.99Å; I411-Q414 PolarHBondContact O-N 2.99Å; C412-Q414 VanDerWaalsContact C-N 3.31Å; C412-Q414 PolarHBondContact O-N 3.38Å; Q414-L416 VanDerWaalsContact C-N 3.34Å; Q414-L416 PolarHBondContact O-N 2.98Å; Q414-L417 PolarHBondContact O-N 3.06Å; Q414-E418 HydrophobicContact CG-CG 4.24Å; Q414-E418 VanDerWaalsContact CG-OE1 3.28Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.38Å; Q414-E418 PolarHBondContact NE2-OE1 3Å; Q414-E418 WeakPolarHBondContact O-CB 3.36Å; Q414-E418 VanDerWaalsContact O-CG 3.28Å; Q414-E418 WeakPolarHBondContact O-CG 3.5Å; Q414-E418 PolarHBondContact O-N 2.99Å
415E94.1Very high93.6Very high12 Ų1239 Ų396%0.05621%0.21CC..Hα-helixtrans-58.9-43.1178.8-72.5-179.6176.700112.7M1 K370 I411 C412 S419M1-E415 WeakPolarHBondContact CG-OE1 3.32Å; K370-E415 WeakPolarHBondContact CE-OE2 3.34Å; K370-E415 IonicContact NZ-OE2 2.63Å; K370-E415 PolarHBondContact NZ-OE2 3.25Å; I411-E415 WeakPolarHBondContact O-CG 3.29Å; I411-E415 PolarHBondContact O-N 2.87Å; C412-E415 PolarHBondContact O-N 3.44Å; E415-S419 WeakPolarHBondContact O-CB 3.23Å; E415-S419 PolarHBondContact O-N 2.72Å; E415-S419 PolarHBondContact O-OG 3.28Å
416L95.9Very high93.5Very high1 Ų140 Ų401%0.00522%0.216CC..Hα-helixtrans-67.2-43.7178.5-71.3167.6000111.6L350 L353 L366 A402 A403 A406 C412 Q414 S419 A420L350-L416 HydrophobicContact CD2-CD1 4Å; L353-L416 HydrophobicContact CD1-CD2 3.97Å; L366-L416 HydrophobicContact CD1-CD2 4.19Å; L366-L416 HydrophobicContact CD2-CD2 4.01Å; A402-L416 HydrophobicContact CB-CD1 3.99Å; A402-L416 HydrophobicContact CB-CD2 4.19Å; A403-L416 HydrophobicContact CB-CB 3.81Å; A403-L416 HydrophobicContact CB-CD1 4.31Å; A406-L416 HydrophobicContact CB-CD1 4.4Å; C412-L416 WeakPolarHBondContact O-CB 3.31Å; C412-L416 WeakPolarHBondContact O-CG 3.32Å; C412-L416 PolarHBondContact O-N 2.86Å; Q414-L416 VanDerWaalsContact C-N 3.34Å; Q414-L416 PolarHBondContact O-N 2.98Å; L416-S419 WeakPolarHBondContact O-CB 3.48Å; L416-S419 PolarHBondContact O-N 3.17Å; L416-A420 PolarHBondContact O-N 3.41Å
417L96.1Very high93.4Very high32 Ų3239.9 Ų39.917%0.16822%0.215CC..Hα-helixtrans-69.5-34.1178-70.5174.5000113A403 Q413 Q414 A420 H421 V468 C469 L472A403-L417 HydrophobicContact CB-CD2 3.95Å; A403-L417 HydrophobicContact CB-CG 3.84Å; Q413-L417 WeakPolarHBondContact O-CB 3.42Å; Q413-L417 VanDerWaalsContact O-CG 3.26Å; Q413-L417 WeakPolarHBondContact O-CG 3.46Å; Q413-L417 PolarHBondContact O-N 2.97Å; Q414-L417 PolarHBondContact O-N 3.06Å; L417-A420 PolarHBondContact O-N 3.22Å; L417-H421 WeakPolarHBondContact O-CB 3.4Å; L417-H421 PolarHBondContact O-N 3.2Å; L417-V468 HydrophobicContact CD2-CG1 4.34Å; L417-C469 HydrophobicContact CD1-CB 4.09Å; L417-L472 HydrophobicContact CD1-CD1 4.23Å
418E95.3Very high93.5Very high61 Ų6141.8 Ų41.829%0.28523%0.228SC..Hα-helixtrans-68.5-37.2173.1-75.7172174.200111.6K373 Q414 H421 L422K373-E418 WeakPolarHBondContact CE-OE2 3.31Å; K373-E418 IonicContact NZ-OE2 3.2Å; K373-E418 PolarHBondContact NZ-OE2 3.3Å; Q414-E418 HydrophobicContact CG-CG 4.24Å; Q414-E418 VanDerWaalsContact CG-OE1 3.28Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.38Å; Q414-E418 PolarHBondContact NE2-OE1 3Å; Q414-E418 WeakPolarHBondContact O-CB 3.36Å; Q414-E418 VanDerWaalsContact O-CG 3.28Å; Q414-E418 WeakPolarHBondContact O-CG 3.5Å; Q414-E418 PolarHBondContact O-N 2.99Å; E418-H421 WeakPolarHBondContact O-CB 3.36Å; E418-H421 PolarHBondContact O-N 3.4Å; E418-H421 VanDerWaalsContact O-N 3.17Å; E418-L422 PolarHBondContact O-N 3.49Å
419S95.9Very high93.6Very high0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-63.2-43.2172.8-54.60000111.3L365 L366 S369 E415 L416 H421 L422 G423L365-S419 WeakPolarHBondContact CD2-O 3.21Å; L366-S419 WeakPolarHBondContact CD1-OG 3.45Å; S369-S419 WeakPolarHBondContact CB-OG 3.49Å; S369-S419 PolarHBondContact OG-OG 3.2Å; E415-S419 WeakPolarHBondContact O-CB 3.23Å; E415-S419 PolarHBondContact O-N 2.72Å; E415-S419 PolarHBondContact O-OG 3.28Å; L416-S419 WeakPolarHBondContact O-CB 3.48Å; L416-S419 PolarHBondContact O-N 3.17Å; S419-H421 VanDerWaalsContact C-N 3.32Å; S419-H421 PolarHBondContact O-N 2.92Å; S419-L422 PolarHBondContact O-N 3.2Å; S419-G423 PolarHBondContact O-N 2.89Å
420A96.5Very high93.4Very high1 Ų141 Ų411%0.00823%0.228CC..Hα-helixtrans-61.9-37.8171.500000112.4I396 C399 I400 L416 L417 G423 R424I396-A420 HydrophobicContact CG2-CB 4.07Å; C399-A420 HydrophobicContact CB-CB 3.99Å; I400-A420 HydrophobicContact CD1-CB 4.34Å; I400-A420 HydrophobicContact CG1-CB 3.69Å; L416-A420 PolarHBondContact O-N 3.41Å; L417-A420 PolarHBondContact O-N 3.22Å; A420-G423 PolarHBondContact O-N 3.35Å; A420-R424 WeakPolarHBondContact O-CG 3.4Å; A420-R424 PolarHBondContact O-N 3.09Å
421H95.7Very high92.6Very high118 Ų11838.8 Ų38.855%0.54621%0.212SC..Hα-helixtrans-66.2-44.9175.9-178.648.2000112.6L417 E418 S419 G423 R424 G425L417-H421 WeakPolarHBondContact O-CB 3.4Å; L417-H421 PolarHBondContact O-N 3.2Å; E418-H421 WeakPolarHBondContact O-CB 3.36Å; E418-H421 PolarHBondContact O-N 3.4Å; E418-H421 VanDerWaalsContact O-N 3.17Å; S419-H421 VanDerWaalsContact C-N 3.32Å; S419-H421 PolarHBondContact O-N 2.92Å; H421-G423 VanDerWaalsContact C-N 3.32Å; H421-G423 PolarHBondContact O-N 3.31Å; H421-R424 PolarHBondContact ND1-NH2 2.83Å; H421-R424 PolarHBondContact O-N 2.85Å; H421-G425 PolarHBondContact O-N 2.67Å; H421-G425 VanDerWaalsContact O-N 3.15Å
422L94.6Very high91.7Very high40 Ų4038.9 Ų38.921%0.20921%0.214CC..Hα-helixtrans-56.9-47.8172.8176.864.6000110.7L372 E418 S419 R424 G425 L426L372-L422 HydrophobicContact CD2-CD1 3.77Å; L372-L422 HydrophobicContact CD2-CD2 4.05Å; E418-L422 PolarHBondContact O-N 3.49Å; S419-L422 PolarHBondContact O-N 3.2Å; L422-R424 VanDerWaalsContact C-N 3.31Å; L422-R424 PolarHBondContact O-N 3.44Å; L422-G425 PolarHBondContact O-N 2.86Å; L422-G425 VanDerWaalsContact O-N 3.11Å; L422-L426 HydrophobicContact CD1-CD1 4.32Å; L422-L426 HydrophobicContact CD1-CG 4.44Å; L422-L426 HydrophobicContact CG-CD1 4.05Å; L422-L426 WeakPolarHBondContact O-CG 3.43Å; L422-L426 PolarHBondContact O-N 2.88Å
423G95Very high90.4Very high0 Ų042.5 Ų42.50%024%0.235CC..Hα-helixtrans-57.8-41.5177.900000112.6I396 S419 A420 H421 G425 L426 L427I396-G423 VanDerWaalsContact CD1-C 3.43Å; S419-G423 PolarHBondContact O-N 2.89Å; A420-G423 PolarHBondContact O-N 3.35Å; H421-G423 VanDerWaalsContact C-N 3.32Å; H421-G423 PolarHBondContact O-N 3.31Å; G423-G425 PolarHBondContact O-N 2.93Å; G423-L426 PolarHBondContact O-N 3.21Å; G423-L427 VanDerWaalsContact O-CB 3.26Å; G423-L427 WeakPolarHBondContact O-CB 3.29Å; G423-L427 PolarHBondContact O-N 2.94Å
424R93.6Very high88.6Confident60 Ų6045 Ų4523%0.22625%0.252CS..Hα-helixtrans-62.6-40.7175.2-72.5-176.2-57.8145.70.2112.7I396 A420 H421 L422 L427 S428 L458 A462I396-R424 HydrophobicContact CD1-CG 3.97Å; I396-R424 HydrophobicContact CG1-CG 4.47Å; I396-R424 HydrophobicContact CG2-CG 3.93Å; A420-R424 WeakPolarHBondContact O-CG 3.4Å; A420-R424 PolarHBondContact O-N 3.09Å; H421-R424 PolarHBondContact ND1-NH2 2.83Å; H421-R424 PolarHBondContact O-N 2.85Å; L422-R424 VanDerWaalsContact C-N 3.31Å; L422-R424 PolarHBondContact O-N 3.44Å; R424-L427 PolarHBondContact O-N 3.4Å; R424-S428 PolarHBondContact O-N 3.16Å; R424-L458 HydrophobicContact CB-CD1 4.04Å; R424-L458 HydrophobicContact CG-CD1 4.16Å; R424-A462 VanDerWaalsContact NH1-CB 3.25Å
425G92.7Very high86.5Confident47 Ų4742.6 Ų42.649%0.48525%0.247SC..Hα-helixtrans-63.2-43.9175.700000112.1H421 L422 G423 S428 A429H421-G425 PolarHBondContact O-N 2.67Å; H421-G425 VanDerWaalsContact O-N 3.15Å; L422-G425 PolarHBondContact O-N 2.86Å; L422-G425 VanDerWaalsContact O-N 3.11Å; G423-G425 PolarHBondContact O-N 2.93Å; G425-S428 PolarHBondContact O-N 3.16Å; G425-A429 PolarHBondContact O-N 2.8Å; G425-A429 VanDerWaalsContact O-N 3.11Å
426L92.1Very high84.3Confident50 Ų5048 Ų4826%0.26228%0.276SS..Hα-helixtrans-66.4-41.9176.1-68170.8000112.1L383 M392 L422 G423 S428 A429 M430L383-L426 HydrophobicContact CD1-CD1 3.67Å; L383-L426 HydrophobicContact CD1-CD2 4.45Å; L383-L426 HydrophobicContact CD2-CD1 3.61Å; L383-L426 HydrophobicContact CG-CD1 4.28Å; M392-L426 HydrophobicContact CE-CB 4Å; M392-L426 HydrophobicContact CE-CD1 4.22Å; L422-L426 HydrophobicContact CD1-CD1 4.32Å; L422-L426 HydrophobicContact CD1-CG 4.44Å; L422-L426 HydrophobicContact CG-CD1 4.05Å; L422-L426 WeakPolarHBondContact O-CG 3.43Å; L422-L426 PolarHBondContact O-N 2.88Å; G423-L426 PolarHBondContact O-N 3.21Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.09Å; L426-A429 CarbonylContact O-C 3.59Å; L426-A429 WeakPolarHBondContact O-CA 3.4Å; L426-A429 WeakPolarHBondContact O-CB 3.42Å; L426-A429 PolarHBondContact O-N 3.41Å; L426-M430 VanDerWaalsContact O-CG 3.29Å; L426-M430 WeakPolarHBondContact O-CG 3.48Å; L426-M430 PolarHBondContact O-N 3.1Å
427L91.6Very high82.1Confident0 Ų052.5 Ų52.50%030%0.304CS..Hα-helixtrans-58.9-42.5176.2-179.959000111.1P389 M392 I393 I396 G423 R424 A429 M430 M431 L458 L461P389-L427 HydrophobicContact CB-CD1 3.82Å; M392-L427 HydrophobicContact CB-CD1 4.27Å; M392-L427 HydrophobicContact CG-CB 3.89Å; M392-L427 HydrophobicContact CG-CD1 4.33Å; I393-L427 HydrophobicContact CD1-CD2 4.34Å; I393-L427 HydrophobicContact CG1-CD1 4.25Å; I393-L427 HydrophobicContact CG1-CD2 3.54Å; I396-L427 HydrophobicContact CD1-CB 4.24Å; I396-L427 HydrophobicContact CD1-CD2 3.88Å; G423-L427 VanDerWaalsContact O-CB 3.26Å; G423-L427 WeakPolarHBondContact O-CB 3.29Å; G423-L427 PolarHBondContact O-N 2.94Å; R424-L427 PolarHBondContact O-N 3.4Å; L427-A429 VanDerWaalsContact C-N 3.35Å; L427-A429 PolarHBondContact O-N 3.42Å; L427-M430 PolarHBondContact O-N 2.74Å; L427-M431 HydrophobicContact CD1-CE 4.03Å; L427-M431 HydrophobicContact CD2-CE 4.25Å; L427-M431 HydrophobicContact CG-CE 3.62Å; L427-M431 WeakPolarHBondContact O-CG 3.47Å; L427-M431 PolarHBondContact O-N 2.96Å; L427-L458 HydrophobicContact CB-CD1 4.49Å; L427-L458 HydrophobicContact CD2-CD1 3.9Å; L427-L458 HydrophobicContact CG-CD1 4.34Å; L427-L461 HydrophobicContact CD2-CD1 4.49Å
428S88.6Confident79.7Confident49 Ų4955 Ų5534%0.34332%0.317SS..Hα-helixtrans-62.1-40.4173.3-179.60000112.2R424 G425 L426 M431 N432R424-S428 PolarHBondContact O-N 3.16Å; G425-S428 PolarHBondContact O-N 3.16Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.09Å; S428-M431 PolarHBondContact O-N 3.43Å; S428-N432 PolarHBondContact O-N 3.18Å
429A86.9Confident77.4Confident48 Ų4857 Ų5740%0.39734%0.338SS..Hα-helixtrans-67.3-38.2176.300000113.1G425 L426 L427 M431 N432 T433G425-A429 PolarHBondContact O-N 2.8Å; G425-A429 VanDerWaalsContact O-N 3.11Å; L426-A429 CarbonylContact O-C 3.59Å; L426-A429 WeakPolarHBondContact O-CA 3.4Å; L426-A429 WeakPolarHBondContact O-CB 3.42Å; L426-A429 PolarHBondContact O-N 3.41Å; L427-A429 VanDerWaalsContact C-N 3.35Å; L427-A429 PolarHBondContact O-N 3.42Å; A429-M431 PolarHBondContact O-N 3.35Å; A429-N432 PolarHBondContact O-N 3.5Å; A429-T433 PolarHBondContact O-N 2.89Å; A429-T433 VanDerWaalsContact O-N 3.17Å; A429-T433 PolarHBondContact O-OG1 3.21Å
430M87Confident74.9Confident38 Ų3861.3 Ų61.319%0.18737%0.368CS..Hα-helixtrans-62.1-29.7175.5-68.6170.479.700112.3K387 P389 M392 L426 L427 T433 T434K387-M430 VanDerWaalsContact O-CE 3.31Å; K387-M430 WeakPolarHBondContact O-CE 3.45Å; P389-M430 HydrophobicContact CG-CE 4.47Å; M392-M430 HydrophobicContact CB-SD 4.39Å; M392-M430 HydrophobicContact CE-SD 4.01Å; M392-M430 HydrophobicContact CG-SD 4.47Å; L426-M430 VanDerWaalsContact O-CG 3.29Å; L426-M430 WeakPolarHBondContact O-CG 3.48Å; L426-M430 PolarHBondContact O-N 3.1Å; L427-M430 PolarHBondContact O-N 2.74Å; M430-T433 PolarHBondContact O-OG1 2.89Å; M430-T433 VanDerWaalsContact O-OG1 3.14Å; M430-T434 PolarHBondContact O-N 3.44Å; M430-T434 PolarHBondContact O-OG1 3.46Å
431M76.9Confident72Confident25 Ų2566.3 Ų66.312%0.12340%0.398CS..Hα-helixtrans-73.3-39174.5-65.9-174.1-136.700112.5L427 S428 A429 T434 S435 V454 L458L427-M431 HydrophobicContact CD1-CE 4.03Å; L427-M431 HydrophobicContact CD2-CE 4.25Å; L427-M431 HydrophobicContact CG-CE 3.62Å; L427-M431 WeakPolarHBondContact O-CG 3.47Å; L427-M431 PolarHBondContact O-N 2.96Å; S428-M431 PolarHBondContact O-N 3.43Å; A429-M431 PolarHBondContact O-N 3.35Å; M431-T434 WeakPolarHBondContact CA-OG1 3.26Å; M431-T434 PolarHBondContact O-N 3.27Å; M431-T434 PolarHBondContact O-OG1 3.49Å; M431-S435 PolarHBondContact O-N 2.95Å; M431-S435 PolarHBondContact O-OG 3.4Å; M431-V454 HydrophobicContact CE-CB 4.18Å; M431-V454 HydrophobicContact CE-CG1 3.24Å; M431-V454 HydrophobicContact CG-CG1 4.46Å; M431-V454 HydrophobicContact SD-CB 4.12Å; M431-V454 HydrophobicContact SD-CG1 3.74Å; M431-L458 HydrophobicContact CE-CB 4.48Å
432N74.3Confident69.1Low103 Ų10366.9 Ų66.955%0.55141%0.41SS*.Hα-helixtrans-67.1-40179.9-66.8-10.3000111.1S428 A429 T434 S435S428-N432 PolarHBondContact O-N 3.18Å; A429-N432 PolarHBondContact O-N 3.5Å; N432-T434 PolarHBondContact O-N 3.3Å; N432-S435 WeakPolarHBondContact O-CB 3.38Å; N432-S435 PolarHBondContact O-N 2.62Å
433T65.2Low66.3Low86 Ų8670.8 Ų70.853%0.52844%0.435SS..Hα-helixtrans-69.9-32.6178.954.80000113.2A429 M430 S435 D436 T437A429-T433 PolarHBondContact O-N 2.89Å; A429-T433 VanDerWaalsContact O-N 3.17Å; A429-T433 PolarHBondContact O-OG1 3.21Å; M430-T433 PolarHBondContact O-OG1 2.89Å; M430-T433 VanDerWaalsContact O-OG1 3.14Å; T433-S435 VanDerWaalsContact C-N 3.26Å; T433-S435 PolarHBondContact O-N 2.85Å; T433-D436 PolarHBondContact O-N 3.3Å; T433-T437 PolarHBondContact O-N 2.74Å; T433-T437 PolarHBondContact O-OG1 3.4Å
434T57.3Low63.4Low63 Ų6377.9 Ų77.939%0.38747%0.473SS..Hα-helixtrans-70.5-24.3176.139.80000113.1M430 M431 N432 I438M430-T434 PolarHBondContact O-N 3.44Å; M430-T434 PolarHBondContact O-OG1 3.46Å; M431-T434 WeakPolarHBondContact CA-OG1 3.26Å; M431-T434 PolarHBondContact O-N 3.27Å; M431-T434 PolarHBondContact O-OG1 3.49Å; N432-T434 PolarHBondContact O-N 3.3Å; T434-I438 WeakPolarHBondContact O-CD1 3.49Å; T434-I438 WeakPolarHBondContact O-CG1 3.48Å
435S51Low60.7Low60 Ų6081.8 Ų81.842%0.4250%0.499SS..Hα-helixtrans-69.4-39174.6-49.90000111.7M431 N432 T433M431-S435 PolarHBondContact O-N 2.95Å; M431-S435 PolarHBondContact O-OG 3.4Å; N432-S435 WeakPolarHBondContact O-CB 3.38Å; N432-S435 PolarHBondContact O-N 2.62Å; T433-S435 VanDerWaalsContact C-N 3.26Å; T433-S435 PolarHBondContact O-N 2.85Å
436D49.1Very low58.2Low126 Ų12686.8 Ų86.867%0.67451%0.514SS*.Hα-helixtrans-81.4-23-174.1-71.9-21.3000113.8T433 S439T433-D436 PolarHBondContact O-N 3.3Å; D436-S439 PolarHBondContact O-OG 3.47Å
437T49.1Very low55.9Low95 Ų9590.2 Ų90.258%0.58353%0.527SS*.Hα-helixtrans-79.5-24.9179-220000113T433 S439 S440T433-T437 PolarHBondContact O-N 2.74Å; T433-T437 PolarHBondContact O-OG1 3.4Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 3.26Å; T437-S440 PolarHBondContact O-OG 3.3Å
438I46.5Very low53.7Low85 Ų8597.5 Ų97.544%0.43657%0.566SS.*G310 helixtrans-77.9-18.7-174.1-63.3171.7000112T434 S440 K447T434-I438 WeakPolarHBondContact O-CD1 3.49Å; T434-I438 WeakPolarHBondContact O-CG1 3.48Å; I438-S440 PolarHBondContact O-N 3.48Å; I438-S440 VanDerWaalsContact O-N 3.16Å; I438-K447 HydrophobicContact CD1-CD 4.24Å
439S45.4Very low51.7Low104 Ų104100.1 Ų100.173%0.72758%0.58SS**G310 helixtrans-740.9178.446.20000114.6D436 T437D436-S439 PolarHBondContact O-OG 3.47Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 3.26Å
440S44.3Very low50Low90 Ų90102.6 Ų102.663%0.62959%0.587SS**G310 helixtrans-117-4.2-176.866.10000117.1T437 I438T437-S440 PolarHBondContact O-OG 3.3Å; I438-S440 PolarHBondContact O-N 3.48Å; I438-S440 VanDerWaalsContact O-N 3.16Å
441T35.6Very low48.3Very low106 Ų106105 Ų10565%0.6560%0.597SS**SBendtrans-152.8119.7174.717.90000113.8
442T35.5Very low47.5Very low130 Ų130113 Ų11380%0.79863%0.627SS**  trans46.296.5155.410.80000117.5N444T442-N444 PolarHBondContact O-N 3.16Å
443V35Very low47.4Very low122 Ų122111.3 Ų111.374%0.73962%0.624SS**  trans-12.5106148.9-173.80000113.8
444N34.5Very low47.8Very low149 Ų149108.3 Ų108.380%0.79761%0.605SS**  trans-135.1101.6149.7-100.9-17.5000107.6T442 N446T442-N444 PolarHBondContact O-N 3.16Å; N444-N446 PolarHBondContact O-N 2.95Å; N444-N446 VanDerWaalsContact O-N 3.1Å
445N36.3Very low48.8Very low142 Ų142112 Ų11276%0.75962%0.618SS**  trans-64.7100.8175.3-73.5-23.6000109.3
446N40.8Very low50.4Low152 Ų152111.8 Ų111.881%0.81362%0.62SS**  trans-17013.6156.5-96.7-11.1000114.4N444N444-N446 PolarHBondContact O-N 2.95Å; N444-N446 VanDerWaalsContact O-N 3.1Å
447K44Very low52.2Low122 Ų122109 Ų10953%0.5360%0.602SS.*  trans-97.41.8-169.4-71.7-174.1175.2-179.50117I438 T449I438-K447 HydrophobicContact CD1-CD 4.24Å; K447-T449 VanDerWaalsContact C-N 3.33Å; K447-T449 PolarHBondContact O-N 2.91Å
448N43.7Very low54Low153 Ų153106.3 Ų106.382%0.81858%0.584SS**Hα-helixtrans-75.6-16-175.9-77.6-1.4000114.5
449T47.2Very low56.1Low104 Ų104109.1 Ų109.164%0.63859%0.593SS**Hα-helixtrans-75.8-32.5178.446.30000112.9K447K447-T449 VanDerWaalsContact C-N 3.33Å; K447-T449 PolarHBondContact O-N 2.91Å
450D50.9Low58.2Low100 Ų100109.2 Ų109.254%0.53558%0.582SS.*Hα-helixtrans-75.8-41.7-171.9-64.8-10.8000111.4Y452 S453 V454D450-Y452 VanDerWaalsContact C-N 3.33Å; D450-Y452 PolarHBondContact O-N 3.38Å; D450-S453 WeakPolarHBondContact O-CB 3.38Å; D450-S453 PolarHBondContact O-N 2.98Å; D450-S453 VanDerWaalsContact O-N 3.08Å; D450-S453 PolarHBondContact O-OG 3.24Å; D450-V454 WeakPolarHBondContact O-CG2 3.41Å; D450-V454 PolarHBondContact O-N 3.41Å
451H52.1Low60.5Low87 Ų87105.1 Ų105.140%0.40355%0.553SS.*Hα-helixtrans-58.4-42.2-179.9-89.8-76.1000113.3S453 V454 E455H451-S453 PolarHBondContact O-N 3.39Å; H451-V454 PolarHBondContact O-N 2.73Å; H451-E455 PolarHBondContact O-N 2.96Å
452Y59.2Low63.2Low194 Ų194101.4 Ų101.476%0.76153%0.533SS*.Hα-helixtrans-66.7-29.5180-152.9-93.5000112.1D450 A456D450-Y452 VanDerWaalsContact C-N 3.33Å; D450-Y452 PolarHBondContact O-N 3.38Å; Y452-A456 WeakPolarHBondContact O-CB 3.44Å; Y452-A456 PolarHBondContact O-N 3.37Å
453S73.5Confident65.9Low68 Ų6899.8 Ų99.848%0.47652%0.519SS..Hα-helixtrans-70.8-37.4179790000112.9D450 H451 K457D450-S453 WeakPolarHBondContact O-CB 3.38Å; D450-S453 PolarHBondContact O-N 2.98Å; D450-S453 VanDerWaalsContact O-N 3.08Å; D450-S453 PolarHBondContact O-OG 3.24Å; H451-S453 PolarHBondContact O-N 3.39Å; S453-K457 WeakPolarHBondContact O-CB 3.4Å; S453-K457 PolarHBondContact O-N 3.42Å
454V72.5Confident68.6Low23 Ų2397 Ų9714%0.13950%0.498CS..Hα-helixtrans-80.6-38.6-172.3-167.10000111.8I393 M431 D450 H451 A456 K457 L458I393-V454 HydrophobicContact CD1-CG1 4.15Å; M431-V454 HydrophobicContact CE-CB 4.18Å; M431-V454 HydrophobicContact CE-CG1 3.24Å; M431-V454 HydrophobicContact CG-CG1 4.46Å; M431-V454 HydrophobicContact SD-CB 4.12Å; M431-V454 HydrophobicContact SD-CG1 3.74Å; D450-V454 WeakPolarHBondContact O-CG2 3.41Å; D450-V454 PolarHBondContact O-N 3.41Å; H451-V454 PolarHBondContact O-N 2.73Å; V454-A456 VanDerWaalsContact C-N 3.34Å; V454-K457 CarbonylContact O-C 3.6Å; V454-K457 WeakPolarHBondContact O-CA 3.29Å; V454-K457 WeakPolarHBondContact O-CB 3.26Å; V454-K457 PolarHBondContact O-N 3.39Å; V454-K457 VanDerWaalsContact O-N 3.1Å; V454-L458 PolarHBondContact O-N 2.94Å
455E78Confident71.4Confident140 Ų14090.4 Ų90.465%0.65446%0.464SS*.Hα-helixtrans-64.9-40.7175.1-170.8174.1-176.200111.4H451 K457 L458 K459H451-E455 PolarHBondContact O-N 2.96Å; E455-K457 VanDerWaalsContact C-N 3.27Å; E455-K457 PolarHBondContact O-N 2.92Å; E455-L458 PolarHBondContact O-N 3.13Å; E455-K459 PolarHBondContact O-N 3.14Å
456A85Confident74.1Confident56 Ų5685.5 Ų85.546%0.46344%0.443SS..Hα-helixtrans-58.2-41.2170.300000111.4Y452 V454 K459 E460Y452-A456 WeakPolarHBondContact O-CB 3.44Å; Y452-A456 PolarHBondContact O-N 3.37Å; V454-A456 VanDerWaalsContact C-N 3.34Å; A456-K459 PolarHBondContact O-N 2.71Å; A456-E460 WeakPolarHBondContact O-CB 3.3Å; A456-E460 PolarHBondContact O-N 3.18Å
457K87Confident76.6Confident68 Ų6880.5 Ų80.530%0.29641%0.414SS..Hα-helixtrans-67.9-37.6177.2-163.556.9168-177.30113I393 S453 V454 E455 K459 E460 L461I393-K457 HydrophobicContact CD1-CG 4.05Å; I393-K457 HydrophobicContact CG1-CG 4.42Å; I393-K457 HydrophobicContact CG2-CG 3.99Å; S453-K457 WeakPolarHBondContact O-CB 3.4Å; S453-K457 PolarHBondContact O-N 3.42Å; V454-K457 CarbonylContact O-C 3.6Å; V454-K457 WeakPolarHBondContact O-CA 3.29Å; V454-K457 WeakPolarHBondContact O-CB 3.26Å; V454-K457 PolarHBondContact O-N 3.39Å; V454-K457 VanDerWaalsContact O-N 3.1Å; E455-K457 VanDerWaalsContact C-N 3.27Å; E455-K457 PolarHBondContact O-N 2.92Å; K457-K459 VanDerWaalsContact C-N 3.32Å; K457-K459 PolarHBondContact O-N 3.36Å; K457-E460 HydrophobicContact CD-CB 4.44Å; K457-E460 WeakPolarHBondContact CD-OE2 3.45Å; K457-E460 IonicContact NZ-OE1 3.79Å; K457-E460 PolarHBondContact NZ-OE1 3.03Å; K457-E460 IonicContact NZ-OE2 2.96Å; K457-E460 PolarHBondContact NZ-OE2 3.37Å; K457-E460 WeakPolarHBondContact O-CB 3.35Å; K457-E460 PolarHBondContact O-N 2.91Å; K457-L461 WeakPolarHBondContact O-CB 3.4Å; K457-L461 VanDerWaalsContact O-CG 3.31Å; K457-L461 WeakPolarHBondContact O-CG 3.45Å; K457-L461 PolarHBondContact O-N 3.14Å
458L87.3Confident78.9Confident38 Ų3874.7 Ų74.720%0.19939%0.389CS..Hα-helixtrans-62.3-42175.2-173.171.8000110.9R424 L427 M431 V454 E455 A462R424-L458 HydrophobicContact CB-CD1 4.04Å; R424-L458 HydrophobicContact CG-CD1 4.16Å; L427-L458 HydrophobicContact CB-CD1 4.49Å; L427-L458 HydrophobicContact CD2-CD1 3.9Å; L427-L458 HydrophobicContact CG-CD1 4.34Å; M431-L458 HydrophobicContact CE-CB 4.48Å; V454-L458 PolarHBondContact O-N 2.94Å; E455-L458 PolarHBondContact O-N 3.13Å; L458-A462 WeakPolarHBondContact O-CB 3.48Å; L458-A462 PolarHBondContact O-N 3.47Å
459K89.5Confident81.3Confident144 Ų14469 Ų6963%0.62636%0.36SS*.Hα-helixtrans-64.7-45.8173.9-173.3178.4178.3-178.90111.7E455 A456 K457 L461 A462 D463E455-K459 PolarHBondContact O-N 3.14Å; A456-K459 PolarHBondContact O-N 2.71Å; K457-K459 VanDerWaalsContact C-N 3.32Å; K457-K459 PolarHBondContact O-N 3.36Å; K459-L461 VanDerWaalsContact C-N 3.35Å; K459-L461 PolarHBondContact O-N 2.86Å; K459-A462 WeakPolarHBondContact O-CB 3.5Å; K459-A462 PolarHBondContact O-N 3.2Å; K459-A462 VanDerWaalsContact O-N 3.16Å; K459-D463 PolarHBondContact O-N 2.73Å
460E91.2Very high83.5Confident105 Ų10566.5 Ų66.549%0.49134%0.342SS..Hα-helixtrans-57-46.2175.7-170.9-163.5141.500111.8A456 K457 A462 D463 H464A456-E460 WeakPolarHBondContact O-CB 3.3Å; A456-E460 PolarHBondContact O-N 3.18Å; K457-E460 HydrophobicContact CD-CB 4.44Å; K457-E460 WeakPolarHBondContact CD-OE2 3.45Å; K457-E460 IonicContact NZ-OE1 3.79Å; K457-E460 PolarHBondContact NZ-OE1 3.03Å; K457-E460 IonicContact NZ-OE2 2.96Å; K457-E460 PolarHBondContact NZ-OE2 3.37Å; K457-E460 WeakPolarHBondContact O-CB 3.35Å; K457-E460 PolarHBondContact O-N 2.91Å; E460-A462 PolarHBondContact O-N 3.34Å; E460-D463 PolarHBondContact O-N 3.36Å; E460-H464 VanDerWaalsContact O-CB 3.27Å; E460-H464 WeakPolarHBondContact O-CB 3.31Å; E460-H464 PolarHBondContact O-N 3.18Å
461L92.4Very high85.5Confident5 Ų561.7 Ų61.73%0.02632%0.316CS..Hα-helixtrans-64.4-38.5176.2-72.8172.1000112.2I393 I396 I400 L427 K457 K459 A465I393-L461 HydrophobicContact CG1-CD1 4.32Å; I393-L461 HydrophobicContact CG2-CD1 4.19Å; I396-L461 HydrophobicContact CB-CD1 4.3Å; I396-L461 HydrophobicContact CD1-CD1 4.23Å; I396-L461 HydrophobicContact CG2-CB 4.46Å; I396-L461 HydrophobicContact CG2-CD1 4.04Å; I396-L461 HydrophobicContact CG2-CD2 4.21Å; I396-L461 HydrophobicContact CG2-CG 4.49Å; I400-L461 HydrophobicContact CD1-CD2 4.43Å; L427-L461 HydrophobicContact CD2-CD1 4.49Å; K457-L461 WeakPolarHBondContact O-CB 3.4Å; K457-L461 VanDerWaalsContact O-CG 3.31Å; K457-L461 WeakPolarHBondContact O-CG 3.45Å; K457-L461 PolarHBondContact O-N 3.14Å; K459-L461 VanDerWaalsContact C-N 3.35Å; K459-L461 PolarHBondContact O-N 2.86Å; L461-A465 VanDerWaalsContact O-CB 3.25Å; L461-A465 WeakPolarHBondContact O-CB 3.28Å; L461-A465 PolarHBondContact O-N 2.94Å
462A92.3Very high87.5Confident28 Ų2857.8 Ų57.823%0.23130%0.298CS..Hα-helixtrans-65.4-44.9176.600000111.8R424 L458 K459 E460 A465 A466R424-A462 VanDerWaalsContact NH1-CB 3.25Å; L458-A462 WeakPolarHBondContact O-CB 3.48Å; L458-A462 PolarHBondContact O-N 3.47Å; K459-A462 WeakPolarHBondContact O-CB 3.5Å; K459-A462 PolarHBondContact O-N 3.2Å; K459-A462 VanDerWaalsContact O-N 3.16Å; E460-A462 PolarHBondContact O-N 3.34Å; A462-A465 PolarHBondContact O-N 2.79Å; A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3.17Å
463D91.5Very high89.2Confident96 Ų9656.4 Ų56.451%0.51329%0.291SS..Hα-helixtrans-65.2-41.1176.7-71.6-21.5000110.9K459 E460 A466 K467K459-D463 PolarHBondContact O-N 2.73Å; E460-D463 PolarHBondContact O-N 3.36Å; D463-A466 PolarHBondContact O-N 3Å; D463-K467 WeakPolarHBondContact O-CB 3.49Å; D463-K467 PolarHBondContact O-N 3.41Å
464H92.2Very high90.2Very high64 Ų6453.4 Ų53.430%0.29627%0.27SS..Hα-helixtrans-64.1-47.3175.2-173.162.1000112.2I400 E460 A466 K467 V468I400-H464 VanDerWaalsContact CG2-CD2 3.44Å; I400-H464 WeakPolarHBondContact CG2-CD2 3.28Å; E460-H464 VanDerWaalsContact O-CB 3.27Å; E460-H464 WeakPolarHBondContact O-CB 3.31Å; E460-H464 PolarHBondContact O-N 3.18Å; H464-A466 VanDerWaalsContact C-N 3.3Å; H464-A466 PolarHBondContact O-N 2.76Å; H464-K467 WeakPolarHBondContact O-CB 3.46Å; H464-K467 PolarHBondContact O-N 3.08Å; H464-V468 WeakPolarHBondContact O-CG2 2.85Å; H464-V468 PolarHBondContact O-N 3.22Å
465A93.7Very high91.3Very high10 Ų1052.7 Ų52.78%0.08327%0.265CS..Hα-helixtrans-59.2-4117500000111.9I400 L461 A462 V468 C469I400-A465 HydrophobicContact CD1-CB 3.81Å; I400-A465 HydrophobicContact CG1-CB 4.19Å; L461-A465 VanDerWaalsContact O-CB 3.25Å; L461-A465 WeakPolarHBondContact O-CB 3.28Å; L461-A465 PolarHBondContact O-N 2.94Å; A462-A465 PolarHBondContact O-N 2.79Å; A465-V468 PolarHBondContact O-N 3.15Å; A465-C469 VanDerWaalsContact O-CB 3.27Å; A465-C469 WeakPolarHBondContact O-CB 3.27Å; A465-C469 PolarHBondContact O-N 2.86Å
466A92.3Very high92.1Very high38 Ų3847.9 Ų47.931%0.31424%0.244SC..Hα-helixtrans-65-41.3176.200000111.9A462 D463 H464 Q470A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3.17Å; D463-A466 PolarHBondContact O-N 3Å; H464-A466 VanDerWaalsContact C-N 3.3Å; H464-A466 PolarHBondContact O-N 2.76Å; A466-Q470 WeakPolarHBondContact O-CB 3.34Å; A466-Q470 VanDerWaalsContact O-CG 3.31Å; A466-Q470 WeakPolarHBondContact O-CG 3.26Å; A466-Q470 PolarHBondContact O-N 3.22Å
467K92.1Very high92.6Very high47 Ų4747.7 Ų47.720%0.20424%0.24CC..Hα-helixtrans-59.6-49.8173.7-179.3170.1178.9163.70111.8D463 H464 Q470 T471 H523D463-K467 WeakPolarHBondContact O-CB 3.49Å; D463-K467 PolarHBondContact O-N 3.41Å; H464-K467 WeakPolarHBondContact O-CB 3.46Å; H464-K467 PolarHBondContact O-N 3.08Å; K467-Q470 PolarHBondContact O-N 3.18Å; K467-T471 WeakPolarHBondContact O-CB 3.38Å; K467-T471 PolarHBondContact O-N 3.27Å; K467-T471 PolarHBondContact O-OG1 3.01Å; K467-H523 WeakPolarHBondContact CA-CE1 3.37Å; K467-H523 WeakPolarHBondContact CB-ND1 3.49Å; K467-H523 HydrophobicContact CD-CB 3.84Å; K467-H523 HydrophobicContact CG-CB 3.94Å; K467-H523 PolarHBondContact NZ-O 3.26Å; K467-H523 VanDerWaalsContact NZ-O 3.13Å
468V93.6Very high93Very high1 Ų144.5 Ų44.51%0.00623%0.226CC..Hα-helixtrans-62.5-48.3178.8170.70000110.8I400 C404 L417 H464 A465 Q470 T471 L472 W489I400-V468 HydrophobicContact CG2-CB 3.97Å; I400-V468 HydrophobicContact CG2-CG1 4.17Å; I400-V468 HydrophobicContact CG2-CG2 3.66Å; C404-V468 VanDerWaalsContact SG-CG1 3.55Å; L417-V468 HydrophobicContact CD2-CG1 4.34Å; H464-V468 WeakPolarHBondContact O-CG2 2.85Å; H464-V468 PolarHBondContact O-N 3.22Å; A465-V468 PolarHBondContact O-N 3.15Å; V468-Q470 PolarHBondContact O-N 2.82Å; V468-T471 PolarHBondContact O-N 2.97Å; V468-T471 VanDerWaalsContact O-N 3.15Å; V468-L472 HydrophobicContact CG1-CD1 3.65Å; V468-L472 HydrophobicContact CG1-CG 4.11Å; V468-L472 WeakPolarHBondContact O-CB 3.49Å; V468-L472 WeakPolarHBondContact O-CG 3.31Å; V468-L472 PolarHBondContact O-N 3.29Å; V468-W489 HydrophobicContact CB-CH2 4.42Å; V468-W489 HydrophobicContact CG1-CH2 4.37Å; V468-W489 HydrophobicContact CG2-CH2 4.03Å; V468-W489 HydrophobicContact CG2-CZ2 4.31Å
469C93.9Very high93.4Very high32 Ų3243.2 Ų43.222%0.21622%0.221CC..Hα-helixtrans-58.3-45.5178.7-174.20000112.5L417 A465 T471 L472 R473L417-C469 HydrophobicContact CD1-CB 4.09Å; A465-C469 VanDerWaalsContact O-CB 3.27Å; A465-C469 WeakPolarHBondContact O-CB 3.27Å; A465-C469 PolarHBondContact O-N 2.86Å; C469-T471 VanDerWaalsContact C-N 3.34Å; C469-T471 PolarHBondContact O-N 3.14Å; C469-L472 PolarHBondContact O-N 2.84Å; C469-R473 WeakPolarHBondContact O-CG 3.44Å; C469-R473 PolarHBondContact O-N 3.31Å
470Q92.8Very high93.7Very high52 Ų5239.4 Ų39.424%0.24321%0.21CC..Hα-helixtrans-65.7-38.1177.7-71.6-175.8-20.900112.2A466 K467 V468 L474 I519 K522 H523A466-Q470 WeakPolarHBondContact O-CB 3.34Å; A466-Q470 VanDerWaalsContact O-CG 3.31Å; A466-Q470 WeakPolarHBondContact O-CG 3.26Å; A466-Q470 PolarHBondContact O-N 3.22Å; K467-Q470 PolarHBondContact O-N 3.18Å; V468-Q470 PolarHBondContact O-N 2.82Å; Q470-L474 PolarHBondContact O-N 3.36Å; Q470-L474 VanDerWaalsContact O-N 3.16Å; Q470-I519 HydrophobicContact CB-CD1 4.43Å; Q470-I519 HydrophobicContact CB-CG1 4.45Å; Q470-I519 HydrophobicContact CB-CG2 4.4Å; Q470-K522 VanDerWaalsContact NE2-NZ 3.13Å; Q470-H523 PolarHBondContact OE1-NE2 2.9Å
471T93Very high93.8Very high0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-68.1-44.3177.3-51.40000111K467 V468 C469 R473 L474 L475 W489 F492 W525K467-T471 WeakPolarHBondContact O-CB 3.38Å; K467-T471 PolarHBondContact O-N 3.27Å; K467-T471 PolarHBondContact O-OG1 3.01Å; V468-T471 PolarHBondContact O-N 2.97Å; V468-T471 VanDerWaalsContact O-N 3.15Å; C469-T471 VanDerWaalsContact C-N 3.34Å; C469-T471 PolarHBondContact O-N 3.14Å; T471-R473 PolarHBondContact O-N 3.42Å; T471-L474 WeakPolarHBondContact O-CB 3.27Å; T471-L474 PolarHBondContact O-N 2.92Å; T471-L474 VanDerWaalsContact O-N 3.16Å; T471-L475 HydrophobicContact CG2-CD1 4.41Å; T471-L475 HydrophobicContact CG2-CG 4.47Å; T471-L475 WeakPolarHBondContact O-CG 3.26Å; T471-L475 PolarHBondContact O-N 3.43Å; T471-W489 HydrophobicContact CG2-CE3 4.28Å; T471-W489 HydrophobicContact CG2-CH2 3.74Å; T471-W489 HydrophobicContact CG2-CZ3 3.42Å; T471-W489 VanDerWaalsContact CG2-CZ3 3.42Å; T471-F492 HydrophobicContact CG2-CD1 3.94Å; T471-F492 HydrophobicContact CG2-CE1 3.52Å; T471-F492 HydrophobicContact CG2-CZ 4.09Å; T471-W525 HydrophobicContact CG2-CZ2 3.9Å; T471-W525 WeakPolarHBondContact OG1-CZ2 3.49Å; T471-W525 PolarHBondContact OG1-NE1 3.05Å
472L95.1Very high93.7Very high4 Ų446.7 Ų46.72%0.02124%0.242CC..Hα-helixtrans-63.4-39.8176.9-72.3175000112.2A403 Q413 L417 V468 C469 L474 L475 N476 W489A403-L472 HydrophobicContact CB-CD1 4.18Å; Q413-L472 HydrophobicContact CB-CD1 4.22Å; Q413-L472 HydrophobicContact CG-CD1 4.01Å; Q413-L472 HydrophobicContact CG-CD2 4.4Å; L417-L472 HydrophobicContact CD1-CD1 4.23Å; V468-L472 HydrophobicContact CG1-CD1 3.65Å; V468-L472 HydrophobicContact CG1-CG 4.11Å; V468-L472 WeakPolarHBondContact O-CB 3.49Å; V468-L472 WeakPolarHBondContact O-CG 3.31Å; V468-L472 PolarHBondContact O-N 3.29Å; C469-L472 PolarHBondContact O-N 2.84Å; L472-L474 VanDerWaalsContact C-N 3.29Å; L472-L474 PolarHBondContact O-N 3.07Å; L472-L475 PolarHBondContact O-N 3.14Å; L472-N476 WeakPolarHBondContact O-CB 3.31Å; L472-N476 PolarHBondContact O-N 3.44Å; L472-N476 PolarHBondContact O-ND2 3.4Å; L472-W489 HydrophobicContact CD2-CE3 4.11Å; L472-W489 HydrophobicContact CD2-CZ3 4.14Å; L472-W489 HydrophobicContact CG-CZ3 4.24Å
473R94.7Very high93.7Very high165 Ų16545.8 Ų45.862%0.62323%0.233SC*.Hα-helixtrans-58.8-41.9172.6-74.1177.9-168.9176.13.4112C469 T471 S477C469-R473 WeakPolarHBondContact O-CG 3.44Å; C469-R473 PolarHBondContact O-N 3.31Å; T471-R473 PolarHBondContact O-N 3.42Å; R473-S477 WeakPolarHBondContact O-CB 3.25Å; R473-S477 PolarHBondContact O-N 2.84Å; R473-S477 PolarHBondContact O-OG 3.19Å
474L94.2Very high93.7Very high5 Ų541.2 Ų41.23%0.02621%0.209CC..Hα-helixtrans-62.2-50.7174.7173.672.2000110.9Q470 T471 L472 N476 S477 L478 M512 E515 L516 I519 W525Q470-L474 PolarHBondContact O-N 3.36Å; Q470-L474 VanDerWaalsContact O-N 3.16Å; T471-L474 WeakPolarHBondContact O-CB 3.27Å; T471-L474 PolarHBondContact O-N 2.92Å; T471-L474 VanDerWaalsContact O-N 3.16Å; L472-L474 VanDerWaalsContact C-N 3.29Å; L472-L474 PolarHBondContact O-N 3.07Å; L474-N476 PolarHBondContact O-N 3.48Å; L474-S477 PolarHBondContact O-N 2.95Å; L474-S477 VanDerWaalsContact O-N 3.16Å; L474-L478 HydrophobicContact CD1-CD1 4.25Å; L474-L478 HydrophobicContact CD1-CG 4.48Å; L474-L478 HydrophobicContact CG-CD1 3.98Å; L474-L478 VanDerWaalsContact O-CG 3.31Å; L474-L478 WeakPolarHBondContact O-CG 3.17Å; L474-L478 PolarHBondContact O-N 3.33Å; L474-M512 HydrophobicContact CD1-CG 4.17Å; L474-M512 HydrophobicContact CD1-SD 3.46Å; L474-M512 WeakPolarHBondContact CD1-SD 3.48Å; L474-E515 HydrophobicContact CD1-CB 4.47Å; L474-L516 HydrophobicContact CD2-CB 4.47Å; L474-L516 HydrophobicContact CD2-CD1 3.63Å; L474-I519 HydrophobicContact CB-CD1 3.88Å; L474-I519 HydrophobicContact CD2-CD1 4.2Å; L474-I519 HydrophobicContact CG-CD1 4.46Å; L474-W525 HydrophobicContact CD2-CH2 4.08Å
475L95.3Very high93.8Very high8 Ų838.2 Ų38.24%0.04220%0.195CC..Hα-helixtrans-62-43.2-179.2-65.6-177.7000112.5T471 L472 S477 L478 A479 L487 W489 F492T471-L475 HydrophobicContact CG2-CD1 4.41Å; T471-L475 HydrophobicContact CG2-CG 4.47Å; T471-L475 WeakPolarHBondContact O-CG 3.26Å; T471-L475 PolarHBondContact O-N 3.43Å; L472-L475 PolarHBondContact O-N 3.14Å; L475-S477 VanDerWaalsContact C-N 3.3Å; L475-S477 PolarHBondContact O-N 3.49Å; L475-L478 HydrophobicContact CD2-CD1 4.31Å; L475-L478 WeakPolarHBondContact O-CB 3.34Å; L475-L478 PolarHBondContact O-N 2.93Å; L475-A479 WeakPolarHBondContact O-CB 3.48Å; L475-A479 PolarHBondContact O-N 3.23Å; L475-L487 HydrophobicContact CD2-CB 4.24Å; L475-L487 HydrophobicContact CD2-CD1 4.4Å; L475-W489 HydrophobicContact CD1-CE3 3.97Å; L475-W489 HydrophobicContact CD1-CZ3 4.46Å; L475-F492 HydrophobicContact CD1-CB 4.28Å; L475-F492 HydrophobicContact CD1-CG 4.47Å; L475-F492 HydrophobicContact CD2-CB 3.92Å; L475-F492 HydrophobicContact CD2-CD2 3.86Å; L475-F492 HydrophobicContact CD2-CG 3.89Å
476N95.5Very high93.9Very high40 Ų4037.9 Ų37.921%0.21419%0.192CC..Hα-helixtrans-63.8-38.4175.5-66.7-19000111.5Q413 L472 L474 L478 A479Q413-N476 PolarHBondContact NE2-OD1 3.29Å; Q413-N476 VanDerWaalsContact NE2-OD1 3.1Å; Q413-N476 PolarHBondContact OE1-ND2 3.4Å; Q413-N476 PolarHBondContact OE1-OD1 2.95Å; L472-N476 WeakPolarHBondContact O-CB 3.31Å; L472-N476 PolarHBondContact O-N 3.44Å; L472-N476 PolarHBondContact O-ND2 3.4Å; L474-N476 PolarHBondContact O-N 3.48Å; N476-L478 VanDerWaalsContact C-N 3.35Å; N476-A479 PolarHBondContact O-N 2.93Å
477S95.3Very high94.1Very high52 Ų5236.3 Ų36.336%0.36418%0.178SC..Hα-helixtrans-67.2-37.6176.9-56.50000111.8R473 L474 L475 A479 V480 L483R473-S477 WeakPolarHBondContact O-CB 3.25Å; R473-S477 PolarHBondContact O-N 2.84Å; R473-S477 PolarHBondContact O-OG 3.19Å; L474-S477 PolarHBondContact O-N 2.95Å; L474-S477 VanDerWaalsContact O-N 3.16Å; L475-S477 VanDerWaalsContact C-N 3.3Å; L475-S477 PolarHBondContact O-N 3.49Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-V480 WeakPolarHBondContact O-CG2 3.45Å; S477-V480 PolarHBondContact O-N 3.46Å; S477-L483 WeakPolarHBondContact O-CD1 3.48Å
478L95.6Very high94.2Very high0 Ų034.1 Ų34.10%017%0.169CC..Hα-helixtrans-65.1-34.4174-73.1167.8000112.7L474 L475 N476 V480 L483 I485 L500 L504 M512L474-L478 HydrophobicContact CD1-CD1 4.25Å; L474-L478 HydrophobicContact CD1-CG 4.48Å; L474-L478 HydrophobicContact CG-CD1 3.98Å; L474-L478 VanDerWaalsContact O-CG 3.31Å; L474-L478 WeakPolarHBondContact O-CG 3.17Å; L474-L478 PolarHBondContact O-N 3.33Å; L475-L478 HydrophobicContact CD2-CD1 4.31Å; L475-L478 WeakPolarHBondContact O-CB 3.34Å; L475-L478 PolarHBondContact O-N 2.93Å; N476-L478 VanDerWaalsContact C-N 3.35Å; L478-V480 PolarHBondContact O-N 2.95Å; L478-L483 WeakPolarHBondContact O-CB 3.43Å; L478-I485 CarbonylContact C-O 3.58Å; L478-I485 VanDerWaalsContact C-O 3.23Å; L478-I485 HydrophobicContact CB-CB 4.14Å; L478-I485 HydrophobicContact CB-CG2 4.44Å; L478-I485 WeakPolarHBondContact CB-O 3.13Å; L478-I485 HydrophobicContact CD2-CB 4.43Å; L478-I485 HydrophobicContact CD2-CD1 4.24Å; L478-I485 CarbonylContact O-C 3.6Å; L478-I485 PolarHBondContact O-N 2.87Å; L478-L500 HydrophobicContact CD1-CD1 4.32Å; L478-L500 HydrophobicContact CD1-CD2 3.83Å; L478-L504 HydrophobicContact CD2-CD1 4.35Å; L478-L504 HydrophobicContact CD2-CD2 3.7Å; L478-M512 HydrophobicContact CD2-CG 3.46Å; L478-M512 VanDerWaalsContact CD2-CG 3.46Å; L478-M512 HydrophobicContact CD2-SD 4.28Å; L478-M512 HydrophobicContact CG-CG 4.1Å; L478-M512 HydrophobicContact CG-SD 4.3Å
479A95.6Very high94.3Very high12 Ų1235.1 Ų35.110%0.09917%0.173CC..THydrogen-bonded Turntrans-75.5-3.2179.600000114.2Y22 V408 L475 N476 S477 I485 A486Y22-A479 WeakPolarHBondContact CE1-O 3.46Å; Y22-A479 PolarHBondContact OH-O 3.28Å; V408-A479 HydrophobicContact CG2-CB 4.05Å; L475-A479 WeakPolarHBondContact O-CB 3.48Å; L475-A479 PolarHBondContact O-N 3.23Å; N476-A479 PolarHBondContact O-N 2.93Å; S477-A479 VanDerWaalsContact C-N 3.32Å; A479-I485 PolarHBondContact N-O 3.04Å; A479-A486 HydrophobicContact CB-CB 4.05Å
480V94.7Very high94.3Very high64 Ų6439.9 Ų39.939%0.38819%0.186SC..SBendtrans-66.9137.7176-176.60000109.4S477 L478 W482 L483 G484S477-V480 WeakPolarHBondContact O-CG2 3.45Å; S477-V480 PolarHBondContact O-N 3.46Å; L478-V480 PolarHBondContact O-N 2.95Å; V480-W482 VanDerWaalsContact C-N 3.29Å; V480-W482 HydrophobicContact CG1-CG 4.3Å; V480-W482 PolarHBondContact O-N 3.28Å; V480-L483 PolarHBondContact O-N 2.92Å; V480-G484 PolarHBondContact O-N 3.07Å
481P93.8Very high94.3Very high75 Ų7537.4 Ų37.449%0.48718%0.175SC..THydrogen-bonded Turntrans-50.9-39.2-170.7-30.833.6000115.9Y22 S66 L483 G484Y22-P481 HydrophobicContact CD1-CB 4.24Å; Y22-P481 HydrophobicContact CD1-CG 4.08Å; Y22-P481 HydrophobicContact CE1-CB 4.45Å; Y22-P481 HydrophobicContact CE1-CG 4.36Å; S66-P481 WeakPolarHBondContact CB-O 3.44Å; S66-P481 PolarHBondContact OG-O 3.24Å; P481-L483 VanDerWaalsContact C-N 3.26Å; P481-L483 PolarHBondContact O-N 3.24Å; P481-G484 PolarHBondContact O-N 3.01Å
482W90Very high94.3Very high188 Ų18837.8 Ų37.871%0.71218%0.176SC*.THydrogen-bonded Turntrans-64.5-24.1178.771.5-29.4000115.3V480V480-W482 VanDerWaalsContact C-N 3.29Å; V480-W482 HydrophobicContact CG1-CG 4.3Å; V480-W482 PolarHBondContact O-N 3.28Å
483L92.1Very high94.1Very high9 Ų944.8 Ų44.85%0.04720%0.202CC..THydrogen-bonded Turntrans-92.3-44.6172.7-80.8162.3000109.8S477 L478 V480 P481 R507 H509 M512S477-L483 WeakPolarHBondContact O-CD1 3.48Å; L478-L483 WeakPolarHBondContact O-CB 3.43Å; V480-L483 PolarHBondContact O-N 2.92Å; P481-L483 VanDerWaalsContact C-N 3.26Å; P481-L483 PolarHBondContact O-N 3.24Å; L483-R507 PolarHBondContact O-NH1 3.23Å; L483-R507 VanDerWaalsContact O-NH1 3.16Å; L483-H509 HydrophobicContact CD2-CB 3.98Å; L483-H509 VanDerWaalsContact CD2-CD2 3.46Å; L483-H509 WeakPolarHBondContact CD2-CD2 3.45Å; L483-H509 WeakPolarHBondContact CD2-ND1 3.36Å; L483-M512 HydrophobicContact CD1-CE 3.63Å
484G92.9Very high93.7Very high0 Ų039.5 Ų39.50%019%0.185CC..  trans65.448.1173.200000112.6Y22 S65 V480 P481Y22-G484 VanDerWaalsContact OH-C 3.26Å; Y22-G484 VanDerWaalsContact OH-CA 3.28Å; Y22-G484 WeakPolarHBondContact OH-CA 3.31Å; S65-G484 WeakPolarHBondContact CB-O 3.33Å; S65-G484 WeakPolarHBondContact OG-CA 3.47Å; S65-G484 PolarHBondContact OG-O 3.3Å; V480-G484 PolarHBondContact O-N 3.07Å; P481-G484 PolarHBondContact O-N 3.01Å
485I94.4Very high93.4Very high0 Ų039.2 Ų39.20%018%0.183CC..  trans-130.475.9176.4-56.1173.9000108.5Y22 L478 A479 L487 L500 L504Y22-I485 PolarHBondContact OH-N 3.49Å; Y22-I485 VanDerWaalsContact OH-N 3.16Å; L478-I485 CarbonylContact C-O 3.58Å; L478-I485 VanDerWaalsContact C-O 3.23Å; L478-I485 HydrophobicContact CB-CB 4.14Å; L478-I485 HydrophobicContact CB-CG2 4.44Å; L478-I485 WeakPolarHBondContact CB-O 3.13Å; L478-I485 HydrophobicContact CD2-CB 4.43Å; L478-I485 HydrophobicContact CD2-CD1 4.24Å; L478-I485 CarbonylContact O-C 3.6Å; L478-I485 PolarHBondContact O-N 2.87Å; A479-I485 PolarHBondContact N-O 3.04Å; I485-L487 HydrophobicContact CG2-CD1 3.83Å; I485-L487 HydrophobicContact CG2-CD2 4.35Å; I485-L487 HydrophobicContact CG2-CG 3.79Å; I485-L487 PolarHBondContact O-N 3.29Å; I485-L500 HydrophobicContact CG2-CD1 4.26Å; I485-L504 HydrophobicContact CD1-CD2 4.06Å
486A95.6Very high93Very high3 Ų338.9 Ų38.93%0.02518%0.182CC..  trans-88.293.6179.100000110L21 Y22 S43 R333 V408 A479L21-A486 HydrophobicContact CB-CB 4.37Å; L21-A486 HydrophobicContact CD1-CB 4.18Å; L21-A486 HydrophobicContact CD2-CB 4.22Å; Y22-A486 HydrophobicContact CE2-CB 3.9Å; Y22-A486 VanDerWaalsContact OH-CB 3.25Å; Y22-A486 WeakPolarHBondContact OH-CB 3.35Å; Y22-A486 PolarHBondContact OH-N 3.15Å; Y22-A486 VanDerWaalsContact OH-N 3.12Å; S43-A486 WeakPolarHBondContact CB-O 3.32Å; S43-A486 PolarHBondContact OG-N 3.28Å; R333-A486 PolarHBondContact NH2-O 3.39Å; R333-A486 VanDerWaalsContact NH2-O 3.14Å; V408-A486 HydrophobicContact CG2-CB 4.28Å; A479-A486 HydrophobicContact CB-CB 4.05Å
487L95.5Very high92.6Very high5 Ų537.2 Ų37.23%0.02617%0.173CC..  trans-99.1138.9179.7-62.8172.3000111.1Y42 L475 I485 Q491 L495 L500Y42-L487 WeakPolarHBondContact O-CD2 3.15Å; L475-L487 HydrophobicContact CD2-CB 4.24Å; L475-L487 HydrophobicContact CD2-CD1 4.4Å; I485-L487 HydrophobicContact CG2-CD1 3.83Å; I485-L487 HydrophobicContact CG2-CD2 4.35Å; I485-L487 HydrophobicContact CG2-CG 3.79Å; I485-L487 PolarHBondContact O-N 3.29Å; L487-Q491 HydrophobicContact CB-CB 4.38Å; L487-Q491 HydrophobicContact CD2-CB 4.11Å; L487-L495 HydrophobicContact CD1-CD2 4.27Å; L487-L500 HydrophobicContact CD1-CD1 4.11Å; L487-L500 HydrophobicContact CD1-CD2 4.38Å
488T95.4Very high92.1Very high2 Ų235.8 Ų35.81%0.01216%0.161CC..  trans-74.6164.4161.972.10000110.3D330 L342 T407 R490 Q491 F492D330-T488 VanDerWaalsContact OD2-CB 3.23Å; D330-T488 WeakPolarHBondContact OD2-CB 3.49Å; D330-T488 VanDerWaalsContact OD2-CG2 3.31Å; D330-T488 WeakPolarHBondContact OD2-CG2 3.31Å; D330-T488 PolarHBondContact OD2-OG1 2.89Å; L342-T488 HydrophobicContact CD2-CG2 3.43Å; L342-T488 VanDerWaalsContact CD2-CG2 3.43Å; T407-T488 HydrophobicContact CG2-CG2 3.94Å; T488-R490 VanDerWaalsContact C-N 3.28Å; T488-R490 PolarHBondContact O-N 2.88Å; T488-R490 PolarHBondContact OG1-N 3.43Å; T488-Q491 PolarHBondContact O-N 3.3Å; T488-Q491 VanDerWaalsContact OG1-CB 3.31Å; T488-Q491 WeakPolarHBondContact OG1-CB 3.45Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.27Å; T488-Q491 PolarHBondContact OG1-N 3.12Å; T488-F492 PolarHBondContact O-N 2.98Å
489W94.5Very high91.7Very high21 Ų2136.4 Ų36.48%0.0816%0.164CC..Hα-helixtrans-58-40.6173.5-171-104.5000113.1C404 V468 T471 L472 L475 F492 R493C404-W489 HydrophobicContact CB-CB 4.31Å; C404-W489 HydrophobicContact CB-CD2 3.49Å; C404-W489 VanDerWaalsContact CB-CD2 3.49Å; C404-W489 HydrophobicContact CB-CE3 3.88Å; C404-W489 HydrophobicContact CB-CG 3.67Å; C404-W489 HydrophobicContact CB-CZ2 4.17Å; C404-W489 HydrophobicContact CB-CZ3 4.37Å; C404-W489 VanDerWaalsContact O-CB 3.27Å; C404-W489 WeakPolarHBondContact O-CB 3.49Å; C404-W489 VanDerWaalsContact SG-CZ2 3.55Å; V468-W489 HydrophobicContact CB-CH2 4.42Å; V468-W489 HydrophobicContact CG1-CH2 4.37Å; V468-W489 HydrophobicContact CG2-CH2 4.03Å; V468-W489 HydrophobicContact CG2-CZ2 4.31Å; T471-W489 HydrophobicContact CG2-CE3 4.28Å; T471-W489 HydrophobicContact CG2-CH2 3.74Å; T471-W489 HydrophobicContact CG2-CZ3 3.42Å; T471-W489 VanDerWaalsContact CG2-CZ3 3.42Å; L472-W489 HydrophobicContact CD2-CE3 4.11Å; L472-W489 HydrophobicContact CD2-CZ3 4.14Å; L472-W489 HydrophobicContact CG-CZ3 4.24Å; L475-W489 HydrophobicContact CD1-CE3 3.97Å; L475-W489 HydrophobicContact CD1-CZ3 4.46Å; W489-F492 PolarHBondContact O-N 2.94Å; W489-R493 WeakPolarHBondContact O-CG 3.11Å; W489-R493 PolarHBondContact O-N 2.93Å
490R93.2Very high91.4Very high133 Ų13335.9 Ų35.950%0.50216%0.159SC..Hα-helixtrans-66.9-42.6177.7-175.1167.7172.3-1782.1111.3I329 D330 T488 F492 R493 E494I329-R490 HydrophobicContact CD1-CG 3.86Å; D330-R490 HydrophobicContact CB-CB 4.38Å; D330-R490 HydrophobicContact CB-CG 4.38Å; T488-R490 VanDerWaalsContact C-N 3.28Å; T488-R490 PolarHBondContact O-N 2.88Å; T488-R490 PolarHBondContact OG1-N 3.43Å; R490-F492 PolarHBondContact O-N 3.23Å; R490-R493 PolarHBondContact O-N 3.43Å; R490-E494 WeakPolarHBondContact O-CG 3.39Å; R490-E494 PolarHBondContact O-N 2.81Å
491Q93.7Very high91.3Very high0 Ų032.8 Ų32.80%014%0.141CC..Hα-helixtrans-59.5-43.7173.7-76.3170.510.300112.1Y42 I329 D330 L487 T488 L495Y42-Q491 HydrophobicContact CD1-CB 3.79Å; Y42-Q491 HydrophobicContact CD1-CG 3.99Å; Y42-Q491 HydrophobicContact CE1-CB 4.31Å; Y42-Q491 HydrophobicContact CE1-CG 4.36Å; I329-Q491 HydrophobicContact CD1-CG 4.15Å; I329-Q491 HydrophobicContact CG1-CG 3.96Å; D330-Q491 WeakPolarHBondContact OD1-CG 3.45Å; D330-Q491 PolarHBondContact OD1-NE2 3.36Å; L487-Q491 HydrophobicContact CB-CB 4.38Å; L487-Q491 HydrophobicContact CD2-CB 4.11Å; T488-Q491 PolarHBondContact O-N 3.3Å; T488-Q491 VanDerWaalsContact OG1-CB 3.31Å; T488-Q491 WeakPolarHBondContact OG1-CB 3.45Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.27Å; T488-Q491 PolarHBondContact OG1-N 3.12Å; Q491-L495 WeakPolarHBondContact O-CB 3.4Å; Q491-L495 PolarHBondContact O-N 3.45Å
492F92.6Very high91Very high7 Ų731.2 Ų31.23%0.03113%0.127CC..Hα-helixtrans-63.2-43.6175.4172.5-107.8000112.5T471 L475 T488 W489 R490 G496 L500 W525T471-F492 HydrophobicContact CG2-CD1 3.94Å; T471-F492 HydrophobicContact CG2-CE1 3.52Å; T471-F492 HydrophobicContact CG2-CZ 4.09Å; L475-F492 HydrophobicContact CD1-CB 4.28Å; L475-F492 HydrophobicContact CD1-CG 4.47Å; L475-F492 HydrophobicContact CD2-CB 3.92Å; L475-F492 HydrophobicContact CD2-CD2 3.86Å; L475-F492 HydrophobicContact CD2-CG 3.89Å; T488-F492 PolarHBondContact O-N 2.98Å; W489-F492 PolarHBondContact O-N 2.94Å; R490-F492 PolarHBondContact O-N 3.23Å; F492-G496 PolarHBondContact O-N 3.42Å; F492-L500 HydrophobicContact CD2-CD2 3.92Å; F492-L500 HydrophobicContact CE2-CD2 3.83Å; F492-W525 HydrophobicContact CE1-CD2 4.34Å; F492-W525 AromaticContact CE1-CE2 3.98Å; F492-W525 HydrophobicContact CE1-CZ2 4.06Å; F492-W525 HydrophobicContact CZ-CD2 4.04Å; F492-W525 AromaticContact CZ-CE2 3.86Å; F492-W525 HydrophobicContact CZ-CE3 4.01Å; F492-W525 AromaticContact CZ-CH2 3.68Å; F492-W525 HydrophobicContact CZ-CH2 3.68Å; F492-W525 AromaticContact CZ-CZ2 3.67Å; F492-W525 HydrophobicContact CZ-CZ2 3.67Å; F492-W525 AromaticContact CZ-CZ3 3.85Å; F492-W525 HydrophobicContact CZ-CZ3 3.85Å
493R90.8Very high91Very high152 Ų15222.4 Ų22.457%0.5749%0.093SC*.Hα-helixtrans-64.5-40.4179-76.9-172.665-174.9-1.3113.1W489 R490 S528W489-R493 WeakPolarHBondContact O-CG 3.11Å; W489-R493 PolarHBondContact O-N 2.93Å; R490-R493 PolarHBondContact O-N 3.43Å; R493-S528 VanDerWaalsContact O-CB 3.31Å; R493-S528 WeakPolarHBondContact O-CB 3.39Å
494E87.2Confident91.1Very high53 Ų5322 Ų2225%0.2489%0.091CC..Hα-helixtrans-74.1-47.7176.7-68.9-57.6150.200111.5Y42 I329 R490 G496 S528 L530Y42-E494 HydrophobicContact CE1-CB 4.2Å; I329-E494 HydrophobicContact CD1-CB 3.74Å; I329-E494 HydrophobicContact CD1-CG 3.44Å; I329-E494 VanDerWaalsContact CD1-CG 3.44Å; R490-E494 WeakPolarHBondContact O-CG 3.39Å; R490-E494 PolarHBondContact O-N 2.81Å; E494-G496 VanDerWaalsContact C-N 3.26Å; E494-G496 PolarHBondContact O-N 3.01Å; E494-S528 VanDerWaalsContact O-CB 3.29Å; E494-S528 WeakPolarHBondContact O-CB 3.39Å; E494-S528 PolarHBondContact O-OG 3.11Å; E494-L530 WeakPolarHBondContact O-CD1 3.47Å; E494-L530 WeakPolarHBondContact O-CG 3.34Å
495L86.7Confident91Very high0 Ų022 Ų220%09%0.092CC..Hα-helixtrans-58-42.2179.2-176.765.6000111.5Y42 L487 Q491 K499 L500Y42-L495 HydrophobicContact CD1-CB 3.96Å; Y42-L495 HydrophobicContact CD2-CD1 4.08Å; Y42-L495 HydrophobicContact CE1-CB 4.26Å; Y42-L495 HydrophobicContact CG-CB 4.3Å; Y42-L495 HydrophobicContact CG-CD1 4.11Å; L487-L495 HydrophobicContact CD1-CD2 4.27Å; Q491-L495 WeakPolarHBondContact O-CB 3.4Å; Q491-L495 PolarHBondContact O-N 3.45Å; L495-K499 HydrophobicContact CD1-CB 3.7Å; L495-K499 HydrophobicContact CG-CB 4.01Å; L495-K499 WeakPolarHBondContact O-CB 3.33Å; L495-L500 HydrophobicContact CD2-CB 4.04Å; L495-L500 HydrophobicContact CD2-CD1 4.32Å
496G86.8Confident90.7Very high1 Ų123.5 Ų23.51%0.0110%0.102CC..Hα-helixtrans79.6158.2-178.100000114F492 E494 N498 L500 E531F492-G496 PolarHBondContact O-N 3.42Å; E494-G496 VanDerWaalsContact C-N 3.26Å; E494-G496 PolarHBondContact O-N 3.01Å; G496-N498 VanDerWaalsContact C-N 3.34Å; G496-N498 PolarHBondContact O-N 3.22Å; G496-L500 WeakPolarHBondContact O-CB 3.14Å; G496-L500 PolarHBondContact O-N 3.17Å; G496-E531 VanDerWaalsContact C-OE1 3.25Å; G496-E531 WeakPolarHBondContact CA-OE1 3.4Å
497P87.5Confident90.4Very high4 Ų424.3 Ų24.33%0.02610%0.104CC..Hα-helixtrans-66.4-31.2-178.227.6-35.6000113.4F501 L516 W525 E531P497-F501 WeakPolarHBondContact O-CB 3.21Å; P497-F501 PolarHBondContact O-N 3.48Å; P497-L516 HydrophobicContact CB-CD1 4.27Å; P497-W525 HydrophobicContact CB-CE3 3.74Å; P497-W525 HydrophobicContact CB-CZ3 3.96Å; P497-W525 HydrophobicContact CG-CE3 4.07Å; P497-E531 VanDerWaalsContact CD-OE1 3.26Å; P497-E531 WeakPolarHBondContact CD-OE1 3.25Å
498N86.3Confident90.1Very high22 Ų2226.7 Ų26.712%0.11812%0.121CC..Hα-helixtrans-72.8-44.5-177.2-62.5-56.5000111.2G496 F501 E502 E531 C540G496-N498 VanDerWaalsContact C-N 3.34Å; G496-N498 PolarHBondContact O-N 3.22Å; N498-F501 WeakPolarHBondContact O-CB 3.44Å; N498-F501 PolarHBondContact O-N 3.19Å; N498-E502 WeakPolarHBondContact O-CG 3.22Å; N498-E502 PolarHBondContact O-N 3.45Å; N498-E531 WeakPolarHBondContact CA-OE1 3.49Å; N498-E531 HydrophobicContact CB-CG 4.11Å; N498-E531 WeakPolarHBondContact CB-OE1 3.29Å; N498-E531 PolarHBondContact N-OE1 3.16Å; N498-E531 PolarHBondContact ND2-OE1 3.45Å; N498-E531 PolarHBondContact ND2-OE2 3.38Å; N498-C540 VanDerWaalsContact OD1-CB 3.27Å; N498-C540 WeakPolarHBondContact OD1-CB 3.39Å; N498-C540 PolarHBondContact OD1-N 2.94Å
499K85.7Confident89.9Confident14 Ų1429.2 Ų29.26%0.06113%0.132CC..Hα-helixtrans-68.3-38.7175.4-72.3-69.7-176.8-175.40112.2S88 L495 F501 E502 R503S88-K499 PolarHBondContact OG-NZ 3.3Å; L495-K499 HydrophobicContact CD1-CB 3.7Å; L495-K499 HydrophobicContact CG-CB 4.01Å; L495-K499 WeakPolarHBondContact O-CB 3.33Å; K499-F501 VanDerWaalsContact C-N 3.27Å; K499-F501 PolarHBondContact O-N 3.33Å; K499-E502 PolarHBondContact O-N 3.43Å; K499-R503 WeakPolarHBondContact O-CG 3.43Å; K499-R503 PolarHBondContact O-N 3.3Å
500L90.8Very high89.7Confident0 Ų029.9 Ų29.90%014%0.135CC..Hα-helixtrans-60.9-40.2171.9-179.258.8000111.2L478 I485 L487 F492 L495 G496 R503 L504 L516L478-L500 HydrophobicContact CD1-CD1 4.32Å; L478-L500 HydrophobicContact CD1-CD2 3.83Å; I485-L500 HydrophobicContact CG2-CD1 4.26Å; L487-L500 HydrophobicContact CD1-CD1 4.11Å; L487-L500 HydrophobicContact CD1-CD2 4.38Å; F492-L500 HydrophobicContact CD2-CD2 3.92Å; F492-L500 HydrophobicContact CE2-CD2 3.83Å; L495-L500 HydrophobicContact CD2-CB 4.04Å; L495-L500 HydrophobicContact CD2-CD1 4.32Å; G496-L500 WeakPolarHBondContact O-CB 3.14Å; G496-L500 PolarHBondContact O-N 3.17Å; L500-R503 PolarHBondContact O-N 3.11Å; L500-L504 HydrophobicContact CD1-CG 4.48Å; L500-L504 HydrophobicContact CG-CD1 4.34Å; L500-L504 WeakPolarHBondContact O-CG 3.27Å; L500-L504 PolarHBondContact O-N 2.72Å; L500-L516 HydrophobicContact CB-CD2 4.29Å; L500-L516 HydrophobicContact CD2-CD1 4.15Å; L500-L516 HydrophobicContact CD2-CD2 4.28Å; L500-L516 HydrophobicContact CG-CD2 4.07Å
501F91.5Very high89.6Confident0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-61.5-45.4174.9179.2-105.8000112.1P497 N498 K499 R503 L504 L505 A513 L516 V517 C540 R544 L545P497-F501 WeakPolarHBondContact O-CB 3.21Å; P497-F501 PolarHBondContact O-N 3.48Å; N498-F501 WeakPolarHBondContact O-CB 3.44Å; N498-F501 PolarHBondContact O-N 3.19Å; K499-F501 VanDerWaalsContact C-N 3.27Å; K499-F501 PolarHBondContact O-N 3.33Å; F501-R503 VanDerWaalsContact C-N 3.31Å; F501-R503 PolarHBondContact O-N 3.5Å; F501-L504 PolarHBondContact O-N 3Å; F501-L504 VanDerWaalsContact O-N 3.14Å; F501-L505 HydrophobicContact CD1-CD1 3.85Å; F501-L505 HydrophobicContact CD1-CG 4.26Å; F501-L505 HydrophobicContact CD2-CG 4.47Å; F501-L505 HydrophobicContact CE1-CD1 3.29Å; F501-L505 HydrophobicContact CE1-CG 3.98Å; F501-L505 HydrophobicContact CE2-CD1 4.31Å; F501-L505 HydrophobicContact CE2-CD2 4.19Å; F501-L505 HydrophobicContact CE2-CG 4.22Å; F501-L505 HydrophobicContact CZ-CD1 3.58Å; F501-L505 HydrophobicContact CZ-CD2 4.09Å; F501-L505 HydrophobicContact CZ-CG 3.98Å; F501-L505 WeakPolarHBondContact O-CG 3.43Å; F501-L505 PolarHBondContact O-N 2.81Å; F501-A513 HydrophobicContact CD2-CB 4.11Å; F501-A513 HydrophobicContact CE2-CB 4.05Å; F501-L516 HydrophobicContact CB-CD2 3.72Å; F501-L516 HydrophobicContact CD2-CD2 4.33Å; F501-V517 HydrophobicContact CD2-CG2 4.04Å; F501-V517 HydrophobicContact CE2-CG2 3.57Å; F501-V517 HydrophobicContact CZ-CG2 4.34Å; F501-C540 HydrophobicContact CB-CB 4.08Å; F501-C540 HydrophobicContact CD1-CB 4.24Å; F501-C540 HydrophobicContact CD2-CB 4.38Å; F501-C540 WeakPolarHBondContact CD2-SG 3.39Å; F501-C540 HydrophobicContact CG-CB 4.01Å; F501-C540 VanDerWaalsContact CG-SG 3.53Å; F501-R544 HydrophobicContact CE1-CB 4.06Å; F501-R544 HydrophobicContact CE1-CG 3.92Å; F501-R544 HydrophobicContact CZ-CB 4.32Å; F501-L545 HydrophobicContact CE2-CB 4.04Å; F501-L545 HydrophobicContact CE2-CD1 4.14Å; F501-L545 HydrophobicContact CE2-CG 4.45Å; F501-L545 HydrophobicContact CZ-CB 3.81Å
502E88.7Confident89.5Confident42 Ų4229.5 Ų29.520%0.19615%0.148CC..Hα-helixtrans-55.9-45.1173.4-66.5-44.1118.300112.3N498 K499 L505 S506 R544N498-E502 WeakPolarHBondContact O-CG 3.22Å; N498-E502 PolarHBondContact O-N 3.45Å; K499-E502 PolarHBondContact O-N 3.43Å; E502-L505 PolarHBondContact O-N 3.13Å; E502-S506 WeakPolarHBondContact O-CB 3.48Å; E502-S506 PolarHBondContact O-N 2.85Å; E502-S506 PolarHBondContact O-OG 2.94Å; E502-R544 IonicContact OE1-CZ 2.76Å; E502-R544 IonicContact OE1-NE 3.95Å; E502-R544 PolarHBondContact OE1-NE 3.44Å; E502-R544 IonicContact OE1-NH1 3.87Å; E502-R544 PolarHBondContact OE1-NH1 3.33Å; E502-R544 IonicContact OE1-NH2 3.58Å; E502-R544 PolarHBondContact OE1-NH2 3.05Å; E502-R544 IonicContact OE2-CZ 3.97Å; E502-R544 IonicContact OE2-NH1 3.99Å; E502-R544 IonicContact OE2-NH2 3.5Å; E502-R544 PolarHBondContact OE2-NH2 3.45Å
503R89.5Confident89.5Confident2 Ų229.1 Ų29.11%0.00815%0.146CC..Hα-helixtrans-62-44.3176.6-68.1-178.6176.3-156.42.9110.9Q41 Y42 L87 E89 K499 L500 F501 L505 S506 R507Q41-R503 PolarHBondContact O-NH1 2.92Å; Q41-R503 PolarHBondContact O-NH2 3.05Å; Q41-R503 VanDerWaalsContact O-NH2 3.13Å; Y42-R503 PolarHBondContact O-NH1 3.48Å; L87-R503 PolarHBondContact O-NE 2.71Å; L87-R503 PolarHBondContact O-NH2 2.95Å; E89-R503 HydrophobicContact CG-CG 3.86Å; E89-R503 WeakPolarHBondContact OE1-CD 3.41Å; E89-R503 IonicContact OE1-CZ 3.79Å; E89-R503 IonicContact OE1-NE 3.98Å; E89-R503 IonicContact OE1-NH1 2.81Å; E89-R503 PolarHBondContact OE1-NH1 3.04Å; K499-R503 WeakPolarHBondContact O-CG 3.43Å; K499-R503 PolarHBondContact O-N 3.3Å; L500-R503 PolarHBondContact O-N 3.11Å; F501-R503 VanDerWaalsContact C-N 3.31Å; F501-R503 PolarHBondContact O-N 3.5Å; R503-L505 VanDerWaalsContact C-N 3.32Å; R503-L505 PolarHBondContact O-N 3.09Å; R503-S506 PolarHBondContact O-N 3.33Å; R503-S506 PolarHBondContact O-OG 3.3Å; R503-R507 WeakPolarHBondContact O-CB 3.4Å; R503-R507 WeakPolarHBondContact O-CG 3.32Å; R503-R507 PolarHBondContact O-N 3.39Å; R503-R507 VanDerWaalsContact O-N 3.07Å
504L92.7Very high89.5Confident0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-65.2-37178.3-68.6174.1000112.6L478 I485 L500 F501 C508 H509 M512 A513 L516L478-L504 HydrophobicContact CD2-CD1 4.35Å; L478-L504 HydrophobicContact CD2-CD2 3.7Å; I485-L504 HydrophobicContact CD1-CD2 4.06Å; L500-L504 HydrophobicContact CD1-CG 4.48Å; L500-L504 HydrophobicContact CG-CD1 4.34Å; L500-L504 WeakPolarHBondContact O-CG 3.27Å; L500-L504 PolarHBondContact O-N 2.72Å; F501-L504 PolarHBondContact O-N 3Å; F501-L504 VanDerWaalsContact O-N 3.14Å; L504-C508 PolarHBondContact O-N 3.5Å; L504-C508 VanDerWaalsContact O-N 3.16Å; L504-H509 HydrophobicContact CD2-CB 4.01Å; L504-H509 PolarHBondContact O-N 3.21Å; L504-M512 HydrophobicContact CD1-CB 4.2Å; L504-M512 HydrophobicContact CD1-CG 3.95Å; L504-M512 HydrophobicContact CD2-CB 4.12Å; L504-M512 HydrophobicContact CD2-CG 4.05Å; L504-A513 HydrophobicContact CB-CB 4.06Å; L504-A513 HydrophobicContact CD1-CB 4.45Å; L504-L516 HydrophobicContact CD1-CB 4.44Å; L504-L516 HydrophobicContact CD1-CD2 3.89Å
505L91.3Very high89.7Confident2 Ų224.1 Ų24.11%0.0113%0.13CC..Hα-helixtrans-67.5-49175.3-70.3-171.6000111.6F501 E502 R503 R507 C508 Y510 A513 R544 L545 H548F501-L505 HydrophobicContact CD1-CD1 3.85Å; F501-L505 HydrophobicContact CD1-CG 4.26Å; F501-L505 HydrophobicContact CD2-CG 4.47Å; F501-L505 HydrophobicContact CE1-CD1 3.29Å; F501-L505 HydrophobicContact CE1-CG 3.98Å; F501-L505 HydrophobicContact CE2-CD1 4.31Å; F501-L505 HydrophobicContact CE2-CD2 4.19Å; F501-L505 HydrophobicContact CE2-CG 4.22Å; F501-L505 HydrophobicContact CZ-CD1 3.58Å; F501-L505 HydrophobicContact CZ-CD2 4.09Å; F501-L505 HydrophobicContact CZ-CG 3.98Å; F501-L505 WeakPolarHBondContact O-CG 3.43Å; F501-L505 PolarHBondContact O-N 2.81Å; E502-L505 PolarHBondContact O-N 3.13Å; R503-L505 VanDerWaalsContact C-N 3.32Å; R503-L505 PolarHBondContact O-N 3.09Å; L505-R507 PolarHBondContact O-N 3.33Å; L505-C508 WeakPolarHBondContact O-CA 3.26Å; L505-C508 PolarHBondContact O-N 2.91Å; L505-Y510 HydrophobicContact CD2-CD1 4.26Å; L505-Y510 HydrophobicContact CD2-CE1 4.21Å; L505-A513 HydrophobicContact CD2-CB 4.26Å; L505-R544 HydrophobicContact CD1-CG 4.45Å; L505-L545 HydrophobicContact CD2-CB 4.44Å; L505-L545 HydrophobicContact CD2-CG 4.14Å; L505-H548 VanDerWaalsContact C-CE1 3.5Å; L505-H548 HydrophobicContact CD1-CB 3.9Å; L505-H548 HydrophobicContact CD2-CB 4.17Å; L505-H548 HydrophobicContact CG-CB 4.46Å; L505-H548 PolarHBondContact O-CE1 2.97Å; L505-H548 PolarHBondContact O-NE2 3.28Å
506S88Confident89.9Confident31 Ų3124.1 Ų24.122%0.21713%0.13CC..Hα-helixtrans-57.7-40.3179.971.80000111.3H105 E502 R503 C508H105-S506 PolarHBondContact CE1-O 3.14Å; H105-S506 PolarHBondContact NE2-O 2.64Å; E502-S506 WeakPolarHBondContact O-CB 3.48Å; E502-S506 PolarHBondContact O-N 2.85Å; E502-S506 PolarHBondContact O-OG 2.94Å; R503-S506 PolarHBondContact O-N 3.33Å; R503-S506 PolarHBondContact O-OG 3.3Å; S506-C508 VanDerWaalsContact C-N 3.25Å; S506-C508 PolarHBondContact O-N 3.36Å
507R89Confident90Very high19 Ų1924.1 Ų24.17%0.07213%0.129CC..THydrogen-bonded Turntrans-77.6-1.8175.1-58-170.4-173.7-165.63.1114.7Y45 E89 L483 R503 L505 H509Y45-R507 HydrophobicContact CE2-CG 4.15Å; Y45-R507 WeakPolarHBondContact OH-CD 3.42Å; Y45-R507 WeakPolarHBondContact OH-CG 3.41Å; Y45-R507 PolarHBondContact OH-NE 3.43Å; E89-R507 VanDerWaalsContact CD-NH2 3.35Å; E89-R507 IonicContact OE1-CZ 3.33Å; E89-R507 IonicContact OE1-NE 3.67Å; E89-R507 IonicContact OE1-NH2 3.81Å; E89-R507 PolarHBondContact OE1-NH2 2.88Å; E89-R507 IonicContact OE2-CZ 3.59Å; E89-R507 IonicContact OE2-NE 3.04Å; E89-R507 PolarHBondContact OE2-NE 2.88Å; E89-R507 IonicContact OE2-NH2 3.14Å; E89-R507 PolarHBondContact OE2-NH2 3.42Å; L483-R507 PolarHBondContact O-NH1 3.23Å; L483-R507 VanDerWaalsContact O-NH1 3.16Å; R503-R507 WeakPolarHBondContact O-CB 3.4Å; R503-R507 WeakPolarHBondContact O-CG 3.32Å; R503-R507 PolarHBondContact O-N 3.39Å; R503-R507 VanDerWaalsContact O-N 3.07Å; L505-R507 PolarHBondContact O-N 3.33Å; R507-H509 VanDerWaalsContact C-N 3.25Å; R507-H509 WeakPolarHBondContact CB-CD2 3.33Å; R507-H509 PolarHBondContact O-N 3.13Å
508C89.9Confident89.9Confident56 Ų5626.1 Ų26.138%0.37814%0.136SC..THydrogen-bonded Turntrans58.428.6-177.5-64.40000114.9L504 L505 S506 Y510L504-C508 PolarHBondContact O-N 3.5Å; L504-C508 VanDerWaalsContact O-N 3.16Å; L505-C508 WeakPolarHBondContact O-CA 3.26Å; L505-C508 PolarHBondContact O-N 2.91Å; S506-C508 VanDerWaalsContact C-N 3.25Å; S506-C508 PolarHBondContact O-N 3.36Å; C508-Y510 HydrophobicContact CB-CD2 4.48Å; C508-Y510 HydrophobicContact CB-CE2 3.79Å; C508-Y510 VanDerWaalsContact O-CD2 3.27Å; C508-Y510 WeakPolarHBondContact O-CD2 3.36Å; C508-Y510 PolarHBondContact O-N 2.99Å
509H91.4Very high89.9Confident54 Ų5425.9 Ų25.925%0.2514%0.135CC..  trans-84.858.9176-68.2-53.8000112L483 L504 R507 P511 M512 A513L483-H509 HydrophobicContact CD2-CB 3.98Å; L483-H509 VanDerWaalsContact CD2-CD2 3.46Å; L483-H509 WeakPolarHBondContact CD2-CD2 3.45Å; L483-H509 WeakPolarHBondContact CD2-ND1 3.36Å; L504-H509 HydrophobicContact CD2-CB 4.01Å; L504-H509 PolarHBondContact O-N 3.21Å; R507-H509 VanDerWaalsContact C-N 3.25Å; R507-H509 WeakPolarHBondContact CB-CD2 3.33Å; R507-H509 PolarHBondContact O-N 3.13Å; H509-P511 VanDerWaalsContact C-CD 3.46Å; H509-M512 HydrophobicContact CB-CB 4.46Å; H509-M512 PolarHBondContact O-N 3.34Å; H509-M512 VanDerWaalsContact O-N 3.11Å; H509-A513 PolarHBondContact O-N 3.4Å
510Y91.2Very high89.9Confident36 Ų3626.9 Ų26.914%0.14114%0.14CC..Hα-helixtrans-53.5-42.3-175.9-57.8-71.1000114.9L505 C508 M512 A513 I514 L545 H548 W549L505-Y510 HydrophobicContact CD2-CD1 4.26Å; L505-Y510 HydrophobicContact CD2-CE1 4.21Å; C508-Y510 HydrophobicContact CB-CD2 4.48Å; C508-Y510 HydrophobicContact CB-CE2 3.79Å; C508-Y510 VanDerWaalsContact O-CD2 3.27Å; C508-Y510 WeakPolarHBondContact O-CD2 3.36Å; C508-Y510 PolarHBondContact O-N 2.99Å; Y510-M512 VanDerWaalsContact C-N 3.28Å; Y510-M512 PolarHBondContact O-N 3.36Å; Y510-A513 PolarHBondContact O-N 3.21Å; Y510-I514 VanDerWaalsContact O-CG1 3.31Å; Y510-I514 WeakPolarHBondContact O-CG1 3.27Å; Y510-I514 PolarHBondContact O-N 2.77Å; Y510-L545 HydrophobicContact CD1-CD2 4.28Å; Y510-L545 HydrophobicContact CD1-CG 4.44Å; Y510-H548 AromaticContact CE1-ND1 3.7Å; Y510-H548 AromaticContact CZ-ND1 3.85Å; Y510-H548 PolarHBondContact OH-ND1 2.95Å; Y510-H548 VanDerWaalsContact OH-ND1 3.14Å; Y510-W549 HydrophobicContact CD1-CB 4.15Å; Y510-W549 HydrophobicContact CE1-CB 3.67Å; Y510-W549 HydrophobicContact CE1-CG 4.41Å; Y510-W549 AromaticContact CE2-CD1 3.76Å; Y510-W549 AromaticContact CZ-CD1 3.9Å
511P90.2Very high89.4Confident96 Ų9630 Ų3062%0.62316%0.155SC*.Hα-helixtrans-58.8-39.9178.4-25.435.9000112.8H509 I514 E515H509-P511 VanDerWaalsContact C-CD 3.46Å; P511-I514 WeakPolarHBondContact O-CB 3.29Å; P511-I514 PolarHBondContact O-N 3.35Å; P511-E515 PolarHBondContact O-N 2.93Å
512M92.4Very high89Confident28 Ų2836.3 Ų36.314%0.13818%0.182CC..Hα-helixtrans-73.6-36.8178.9-163.356.970.400111.8L474 L478 L483 L504 H509 Y510 I514 E515 L516L474-M512 HydrophobicContact CD1-CG 4.17Å; L474-M512 HydrophobicContact CD1-SD 3.46Å; L474-M512 WeakPolarHBondContact CD1-SD 3.48Å; L478-M512 HydrophobicContact CD2-CG 3.46Å; L478-M512 VanDerWaalsContact CD2-CG 3.46Å; L478-M512 HydrophobicContact CD2-SD 4.28Å; L478-M512 HydrophobicContact CG-CG 4.1Å; L478-M512 HydrophobicContact CG-SD 4.3Å; L483-M512 HydrophobicContact CD1-CE 3.63Å; L504-M512 HydrophobicContact CD1-CB 4.2Å; L504-M512 HydrophobicContact CD1-CG 3.95Å; L504-M512 HydrophobicContact CD2-CB 4.12Å; L504-M512 HydrophobicContact CD2-CG 4.05Å; H509-M512 HydrophobicContact CB-CB 4.46Å; H509-M512 PolarHBondContact O-N 3.34Å; H509-M512 VanDerWaalsContact O-N 3.11Å; Y510-M512 VanDerWaalsContact C-N 3.28Å; Y510-M512 PolarHBondContact O-N 3.36Å; M512-I514 VanDerWaalsContact C-N 3.29Å; M512-I514 PolarHBondContact O-N 2.91Å; M512-E515 PolarHBondContact O-N 3.22Å; M512-L516 WeakPolarHBondContact O-CB 3.44Å; M512-L516 PolarHBondContact O-N 3.39Å
513A92.6Very high88.6Confident0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-62.4-36.8173.200000111.8F501 L504 L505 H509 Y510 L516 V517 L545F501-A513 HydrophobicContact CD2-CB 4.11Å; F501-A513 HydrophobicContact CE2-CB 4.05Å; L504-A513 HydrophobicContact CB-CB 4.06Å; L504-A513 HydrophobicContact CD1-CB 4.45Å; L505-A513 HydrophobicContact CD2-CB 4.26Å; H509-A513 PolarHBondContact O-N 3.4Å; Y510-A513 PolarHBondContact O-N 3.21Å; A513-L516 PolarHBondContact O-N 2.97Å; A513-V517 VanDerWaalsContact O-CG2 3.26Å; A513-V517 WeakPolarHBondContact O-CG2 3.43Å; A513-V517 PolarHBondContact O-N 2.89Å; A513-L545 HydrophobicContact CB-CD1 3.6Å; A513-L545 HydrophobicContact CB-CG 4.46Å
514I90.7Very high87.9Confident20 Ų2043.8 Ų43.810%0.10321%0.214CC..Hα-helixtrans-61.2-49.2173.7-70.5169.7000110.4Y510 P511 M512 L516 V517 R518 F542 L545 L575Y510-I514 VanDerWaalsContact O-CG1 3.31Å; Y510-I514 WeakPolarHBondContact O-CG1 3.27Å; Y510-I514 PolarHBondContact O-N 2.77Å; P511-I514 WeakPolarHBondContact O-CB 3.29Å; P511-I514 PolarHBondContact O-N 3.35Å; M512-I514 VanDerWaalsContact C-N 3.29Å; M512-I514 PolarHBondContact O-N 2.91Å; I514-L516 VanDerWaalsContact C-N 3.33Å; I514-L516 PolarHBondContact O-N 3.31Å; I514-V517 PolarHBondContact O-N 3.36Å; I514-R518 WeakPolarHBondContact O-CG 3.3Å; I514-R518 PolarHBondContact O-N 3.42Å; I514-F542 HydrophobicContact CG2-CE1 4.22Å; I514-L545 HydrophobicContact CB-CD1 4.43Å; I514-L545 HydrophobicContact CG1-CD1 3.64Å; I514-L545 HydrophobicContact CG1-CD2 4.28Å; I514-L575 HydrophobicContact CD1-CD2 3.9Å; I514-L575 HydrophobicContact CG1-CD2 3.8Å; I514-L575 HydrophobicContact CG2-CD2 4.38Å
515E90.1Very high87Confident80 Ų8044.8 Ų44.837%0.37422%0.218SC..Hα-helixtrans-62.5-41178.7-62.3-49.5149.100112L474 P511 M512 V517 R518 I519L474-E515 HydrophobicContact CD1-CB 4.47Å; P511-E515 PolarHBondContact O-N 2.93Å; M512-E515 PolarHBondContact O-N 3.22Å; E515-V517 PolarHBondContact O-N 3.1Å; E515-R518 PolarHBondContact O-N 3.37Å; E515-R518 IonicContact OE1-CZ 3.81Å; E515-R518 IonicContact OE1-NH1 3.18Å; E515-R518 PolarHBondContact OE1-NH1 3.46Å; E515-R518 IonicContact OE2-NH1 3.37Å; E515-R518 PolarHBondContact OE2-NH1 3.34Å; E515-R518 VanDerWaalsContact OE2-NH1 3.14Å; E515-I519 VanDerWaalsContact O-CG1 3.27Å; E515-I519 WeakPolarHBondContact O-CG1 3.38Å; E515-I519 PolarHBondContact O-N 3.08Å
516L91.2Very high85.6Confident0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-58.6-47.5175.6178.566.8000112L474 P497 L500 F501 L504 M512 A513 I514 R518 I519 H520 W525L474-L516 HydrophobicContact CD2-CB 4.47Å; L474-L516 HydrophobicContact CD2-CD1 3.63Å; P497-L516 HydrophobicContact CB-CD1 4.27Å; L500-L516 HydrophobicContact CB-CD2 4.29Å; L500-L516 HydrophobicContact CD2-CD1 4.15Å; L500-L516 HydrophobicContact CD2-CD2 4.28Å; L500-L516 HydrophobicContact CG-CD2 4.07Å; F501-L516 HydrophobicContact CB-CD2 3.72Å; F501-L516 HydrophobicContact CD2-CD2 4.33Å; L504-L516 HydrophobicContact CD1-CB 4.44Å; L504-L516 HydrophobicContact CD1-CD2 3.89Å; M512-L516 WeakPolarHBondContact O-CB 3.44Å; M512-L516 PolarHBondContact O-N 3.39Å; A513-L516 PolarHBondContact O-N 2.97Å; I514-L516 VanDerWaalsContact C-N 3.33Å; I514-L516 PolarHBondContact O-N 3.31Å; L516-R518 VanDerWaalsContact C-N 3.34Å; L516-R518 PolarHBondContact O-N 3.33Å; L516-I519 PolarHBondContact O-N 3.5Å; L516-H520 VanDerWaalsContact O-CB 3.29Å; L516-H520 WeakPolarHBondContact O-CB 3.35Å; L516-H520 PolarHBondContact O-N 3.24Å; L516-W525 HydrophobicContact CD1-CH2 3.98Å; L516-W525 HydrophobicContact CD1-CZ3 3.65Å
517V89.2Confident84.3Confident0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-60.9-43177.4175.30000110.9F501 A513 I514 E515 H520 Q521 C540 F542F501-V517 HydrophobicContact CD2-CG2 4.04Å; F501-V517 HydrophobicContact CE2-CG2 3.57Å; F501-V517 HydrophobicContact CZ-CG2 4.34Å; A513-V517 VanDerWaalsContact O-CG2 3.26Å; A513-V517 WeakPolarHBondContact O-CG2 3.43Å; A513-V517 PolarHBondContact O-N 2.89Å; I514-V517 PolarHBondContact O-N 3.36Å; E515-V517 PolarHBondContact O-N 3.1Å; V517-H520 PolarHBondContact O-N 3.14Å; V517-Q521 HydrophobicContact CG1-CG 4.31Å; V517-Q521 WeakPolarHBondContact O-CB 3.46Å; V517-Q521 WeakPolarHBondContact O-CG 3.34Å; V517-Q521 PolarHBondContact O-N 2.84Å; V517-C540 WeakPolarHBondContact CG2-SG 3.38Å; V517-F542 HydrophobicContact CB-CD1 4.1Å; V517-F542 HydrophobicContact CB-CE1 3.76Å; V517-F542 HydrophobicContact CB-CZ 4.1Å; V517-F542 HydrophobicContact CG1-CD1 3.67Å; V517-F542 HydrophobicContact CG1-CD2 3.87Å; V517-F542 HydrophobicContact CG1-CE1 3.57Å; V517-F542 HydrophobicContact CG1-CE2 3.77Å; V517-F542 HydrophobicContact CG1-CG 3.83Å; V517-F542 HydrophobicContact CG1-CZ 3.63Å; V517-F542 HydrophobicContact CG2-CD1 4.46Å
518R86.2Confident82.9Confident46 Ų4652.1 Ų52.117%0.17426%0.261CS..Hα-helixtrans-61.7-47.8178.9-71.9177.4-174.7151.91.5112.1I514 E515 L516 H520 Q521 K522 F542 K574 N578I514-R518 WeakPolarHBondContact O-CG 3.3Å; I514-R518 PolarHBondContact O-N 3.42Å; E515-R518 PolarHBondContact O-N 3.37Å; E515-R518 IonicContact OE1-CZ 3.81Å; E515-R518 IonicContact OE1-NH1 3.18Å; E515-R518 PolarHBondContact OE1-NH1 3.46Å; E515-R518 IonicContact OE2-NH1 3.37Å; E515-R518 PolarHBondContact OE2-NH1 3.34Å; E515-R518 VanDerWaalsContact OE2-NH1 3.14Å; L516-R518 VanDerWaalsContact C-N 3.34Å; L516-R518 PolarHBondContact O-N 3.33Å; R518-H520 VanDerWaalsContact C-N 3.33Å; R518-Q521 PolarHBondContact O-N 3.37Å; R518-K522 WeakPolarHBondContact O-CB 3.38Å; R518-K522 PolarHBondContact O-N 3.39Å; R518-K522 VanDerWaalsContact O-N 3.08Å; R518-F542 HydrophobicContact CG-CE1 4.46Å; R518-F542 HydrophobicContact CG-CZ 3.73Å; R518-K574 PolarHBondContact NH2-O 2.7Å; R518-N578 PolarHBondContact NH1-ND2 2.98Å; R518-N578 VanDerWaalsContact NH1-ND2 3.14Å; R518-N578 PolarHBondContact NH2-ND2 3.22Å
519I86.5Confident81.4Confident17 Ų1753.7 Ų53.79%0.08727%0.265CS..Hα-helixtrans-65.7-41179.8-61168.2000109.7Q470 L474 E515 L516 K522 H523 W525Q470-I519 HydrophobicContact CB-CD1 4.43Å; Q470-I519 HydrophobicContact CB-CG1 4.45Å; Q470-I519 HydrophobicContact CB-CG2 4.4Å; L474-I519 HydrophobicContact CB-CD1 3.88Å; L474-I519 HydrophobicContact CD2-CD1 4.2Å; L474-I519 HydrophobicContact CG-CD1 4.46Å; E515-I519 VanDerWaalsContact O-CG1 3.27Å; E515-I519 WeakPolarHBondContact O-CG1 3.38Å; E515-I519 PolarHBondContact O-N 3.08Å; L516-I519 PolarHBondContact O-N 3.5Å; I519-K522 PolarHBondContact O-N 3.05Å; I519-H523 WeakPolarHBondContact O-CB 3.37Å; I519-H523 PolarHBondContact O-CD2 3.39Å; I519-H523 PolarHBondContact O-N 2.82Å; I519-W525 HydrophobicContact CB-CH2 3.77Å; I519-W525 HydrophobicContact CB-CZ2 4.2Å; I519-W525 HydrophobicContact CG2-CH2 3.31Å; I519-W525 HydrophobicContact CG2-CZ2 3.22Å; I519-W525 HydrophobicContact CG2-CZ3 4.29Å
520H85Confident79.7Confident36 Ų3651.9 Ų51.917%0.16726%0.257CS..Hα-helixtrans-62.2-45.6176.8-175.966.9000112.5L516 V517 R518 K522 K524 W525L516-H520 VanDerWaalsContact O-CB 3.29Å; L516-H520 WeakPolarHBondContact O-CB 3.35Å; L516-H520 PolarHBondContact O-N 3.24Å; V517-H520 PolarHBondContact O-N 3.14Å; R518-H520 VanDerWaalsContact C-N 3.33Å; H520-K522 VanDerWaalsContact C-N 3.32Å; H520-K522 PolarHBondContact O-N 3.4Å; H520-K524 WeakPolarHBondContact O-CA 3.11Å; H520-K524 PolarHBondContact O-N 3.38Å; H520-W525 HydrophobicContact CB-CE3 3.97Å; H520-W525 HydrophobicContact CB-CZ3 3.89Å; H520-W525 AromaticContact ND1-CE3 3.67Å
521Q80.8Confident78.1Confident66 Ų6651.1 Ų51.131%0.30825%0.254SS..Hα-helixtrans-61.5-39.1176.3-76.4177.1-400112.5V517 R518 F542V517-Q521 HydrophobicContact CG1-CG 4.31Å; V517-Q521 WeakPolarHBondContact O-CB 3.46Å; V517-Q521 WeakPolarHBondContact O-CG 3.34Å; V517-Q521 PolarHBondContact O-N 2.84Å; R518-Q521 PolarHBondContact O-N 3.37Å; Q521-F542 VanDerWaalsContact OE1-CE2 3.31Å
522K82.1Confident76.3Confident131 Ų13153.4 Ų53.457%0.5726%0.257SS*.Hα-helixtrans-70.7-44.6-179.8-174.6177.1175.2-177.90112.6Q470 R518 I519 H520Q470-K522 VanDerWaalsContact NE2-NZ 3.13Å; R518-K522 WeakPolarHBondContact O-CB 3.38Å; R518-K522 PolarHBondContact O-N 3.39Å; R518-K522 VanDerWaalsContact O-N 3.08Å; I519-K522 PolarHBondContact O-N 3.05Å; H520-K522 VanDerWaalsContact C-N 3.32Å; H520-K522 PolarHBondContact O-N 3.4Å
523H80.3Confident74.2Confident31 Ų3155.1 Ų55.114%0.14427%0.271CS..Hα-helixtrans-107-10.8-167.2-70-61.5000115.7K467 Q470 I519 W525K467-H523 WeakPolarHBondContact CA-CE1 3.37Å; K467-H523 WeakPolarHBondContact CB-ND1 3.49Å; K467-H523 HydrophobicContact CD-CB 3.84Å; K467-H523 HydrophobicContact CG-CB 3.94Å; K467-H523 PolarHBondContact NZ-O 3.26Å; K467-H523 VanDerWaalsContact NZ-O 3.13Å; Q470-H523 PolarHBondContact OE1-NE2 2.9Å; I519-H523 WeakPolarHBondContact O-CB 3.37Å; I519-H523 PolarHBondContact O-CD2 3.39Å; I519-H523 PolarHBondContact O-N 2.82Å; H523-W525 PolarHBondContact O-N 3.1Å
524K75Confident72.2Confident170 Ų17056.5 Ų56.574%0.73928%0.278SS*.  trans37.969.9-175.1-66.5-176.2177.8-178.30111.2H520H520-K524 WeakPolarHBondContact O-CA 3.11Å; H520-K524 PolarHBondContact O-N 3.38Å
525W73.7Confident69.7Low21 Ų2160.9 Ų60.98%0.0831%0.31CS..PPolyproline II helixtrans-52.9140.7175.7-68.6-62.4000109.8T471 L474 F492 P497 L516 I519 H520 H523 I527T471-W525 HydrophobicContact CG2-CZ2 3.9Å; T471-W525 WeakPolarHBondContact OG1-CZ2 3.49Å; T471-W525 PolarHBondContact OG1-NE1 3.05Å; L474-W525 HydrophobicContact CD2-CH2 4.08Å; F492-W525 HydrophobicContact CE1-CD2 4.34Å; F492-W525 AromaticContact CE1-CE2 3.98Å; F492-W525 HydrophobicContact CE1-CZ2 4.06Å; F492-W525 HydrophobicContact CZ-CD2 4.04Å; F492-W525 AromaticContact CZ-CE2 3.86Å; F492-W525 HydrophobicContact CZ-CE3 4.01Å; F492-W525 AromaticContact CZ-CH2 3.68Å; F492-W525 HydrophobicContact CZ-CH2 3.68Å; F492-W525 AromaticContact CZ-CZ2 3.67Å; F492-W525 HydrophobicContact CZ-CZ2 3.67Å; F492-W525 AromaticContact CZ-CZ3 3.85Å; F492-W525 HydrophobicContact CZ-CZ3 3.85Å; P497-W525 HydrophobicContact CB-CE3 3.74Å; P497-W525 HydrophobicContact CB-CZ3 3.96Å; P497-W525 HydrophobicContact CG-CE3 4.07Å; L516-W525 HydrophobicContact CD1-CH2 3.98Å; L516-W525 HydrophobicContact CD1-CZ3 3.65Å; I519-W525 HydrophobicContact CB-CH2 3.77Å; I519-W525 HydrophobicContact CB-CZ2 4.2Å; I519-W525 HydrophobicContact CG2-CH2 3.31Å; I519-W525 HydrophobicContact CG2-CZ2 3.22Å; I519-W525 HydrophobicContact CG2-CZ3 4.29Å; H520-W525 HydrophobicContact CB-CE3 3.97Å; H520-W525 HydrophobicContact CB-CZ3 3.89Å; H520-W525 AromaticContact ND1-CE3 3.67Å; H523-W525 PolarHBondContact O-N 3.1Å; W525-I527 PolarHBondContact O-N 2.8Å
526P62.9Low67.5Low96 Ų9664.4 Ų64.462%0.62333%0.331SS*.PPolyproline II helixtrans-54.2138.9171.823.3-31.3000108.7S528P526-S528 PolarHBondContact O-N 3.47Å
527I60.1Low65.5Low105 Ų10569.5 Ų69.554%0.53835%0.351SS..PPolyproline II helixtrans-55.7128.7175.6-60.9171.8000106.3W525 E531 E532W525-I527 PolarHBondContact O-N 2.8Å; I527-E531 HydrophobicContact CG2-CB 3.41Å; I527-E531 VanDerWaalsContact CG2-CB 3.41Å; I527-E532 HydrophobicContact CB-CG 4.45Å; I527-E532 HydrophobicContact CG2-CG 3.8Å
528S59.8Low64Low5 Ų571.2 Ų71.24%0.03537%0.369CS..PPolyproline II helixtrans-65.3154.6177.671.40000109.7R493 E494 P526 L530 E531 E532R493-S528 VanDerWaalsContact O-CB 3.31Å; R493-S528 WeakPolarHBondContact O-CB 3.39Å; E494-S528 VanDerWaalsContact O-CB 3.29Å; E494-S528 WeakPolarHBondContact O-CB 3.39Å; E494-S528 PolarHBondContact O-OG 3.11Å; P526-S528 PolarHBondContact O-N 3.47Å; S528-L530 PolarHBondContact O-N 3.33Å; S528-L530 VanDerWaalsContact O-N 3.12Å; S528-E531 PolarHBondContact N-OE2 2.98Å; S528-E531 WeakPolarHBondContact O-CB 3.31Å; S528-E531 PolarHBondContact O-N 3.48Å; S528-E531 VanDerWaalsContact OG-CG 3.22Å; S528-E531 WeakPolarHBondContact OG-CG 3.47Å; S528-E531 PolarHBondContact OG-N 2.97Å; S528-E532 PolarHBondContact O-N 3.15Å
529I57.4Low63.3Low90 Ų9073.4 Ų73.446%0.46239%0.388SS..THydrogen-bonded Turntrans-55.8-31.5175.6-65.1169.4000110.6Y134 E531Y134-I529 HydrophobicContact CE1-CG2 3.86Å; Y134-I529 WeakPolarHBondContact CE1-O 3.35Å; Y134-I529 WeakPolarHBondContact OH-CG2 3.39Å; Y134-I529 PolarHBondContact OH-O 3.3Å; I529-E531 VanDerWaalsContact C-N 3.32Å; I529-E531 PolarHBondContact O-N 3.42Å
530L56.9Low63Low16 Ų1672.8 Ų72.88%0.08439%0.385CS..THydrogen-bonded Turntrans-69.8-21.7175.2-56-177.4000114.4Y134 E494 S528Y134-L530 HydrophobicContact CD1-CB 4.26Å; Y134-L530 HydrophobicContact CD1-CD2 3.25Å; Y134-L530 HydrophobicContact CD1-CG 4.28Å; Y134-L530 HydrophobicContact CE1-CD2 3.66Å; Y134-L530 HydrophobicContact CG-CD2 4.34Å; E494-L530 WeakPolarHBondContact O-CD1 3.47Å; E494-L530 WeakPolarHBondContact O-CG 3.34Å; S528-L530 PolarHBondContact O-N 3.33Å; S528-L530 VanDerWaalsContact O-N 3.12Å
531E56.9Low63.1Low19 Ų1972.3 Ų72.39%0.08938%0.384CS..THydrogen-bonded Turntrans-94.1-26.1-172.7-77.6170.2-179.500113.6G496 P497 N498 I527 S528 I529 S533 Q534G496-E531 VanDerWaalsContact C-OE1 3.25Å; G496-E531 WeakPolarHBondContact CA-OE1 3.4Å; P497-E531 VanDerWaalsContact CD-OE1 3.26Å; P497-E531 WeakPolarHBondContact CD-OE1 3.25Å; N498-E531 WeakPolarHBondContact CA-OE1 3.49Å; N498-E531 HydrophobicContact CB-CG 4.11Å; N498-E531 WeakPolarHBondContact CB-OE1 3.29Å; N498-E531 PolarHBondContact N-OE1 3.16Å; N498-E531 PolarHBondContact ND2-OE1 3.45Å; N498-E531 PolarHBondContact ND2-OE2 3.38Å; I527-E531 HydrophobicContact CG2-CB 3.41Å; I527-E531 VanDerWaalsContact CG2-CB 3.41Å; S528-E531 PolarHBondContact N-OE2 2.98Å; S528-E531 WeakPolarHBondContact O-CB 3.31Å; S528-E531 PolarHBondContact O-N 3.48Å; S528-E531 VanDerWaalsContact OG-CG 3.22Å; S528-E531 WeakPolarHBondContact OG-CG 3.47Å; S528-E531 PolarHBondContact OG-N 2.97Å; I529-E531 VanDerWaalsContact C-N 3.32Å; I529-E531 PolarHBondContact O-N 3.42Å; E531-S533 PolarHBondContact O-N 3.16Å; E531-Q534 PolarHBondContact O-N 2.89Å
532E52.8Low63.5Low145 Ų14569.4 Ų69.468%0.67837%0.371SS*.THydrogen-bonded Turntrans-61.3-28.9-176.6-70.9-174.5164.400113.5I527 S528I527-E532 HydrophobicContact CB-CG 4.45Å; I527-E532 HydrophobicContact CG2-CG 3.8Å; S528-E532 PolarHBondContact O-N 3.15Å
533S48.7Very low63.8Low63 Ų6364 Ų6444%0.44135%0.349SS..THydrogen-bonded Turntrans-87.3-11.6-177.857.50000114Y134 E531Y134-S533 WeakPolarHBondContact CD2-OG 3.46Å; E531-S533 PolarHBondContact O-N 3.16Å
534Q49.1Very low64.2Low30 Ų3065.2 Ų65.214%0.1435%0.352CS..  trans-115.948.8-168.6-75.8-166.715.900112.4E531 N536 Y537E531-Q534 PolarHBondContact O-N 2.89Å; Q534-N536 PolarHBondContact O-N 3.48Å; Q534-Y537 HydrophobicContact CB-CD2 4.05Å; Q534-Y537 HydrophobicContact CG-CD2 4.36Å; Q534-Y537 PolarHBondContact O-N 3.26Å
535S40Very low65Low111 Ų11157.3 Ų57.378%0.77632%0.318SS*.THydrogen-bonded Turntrans-55.1-11.7176.959.10000115
536N42.1Very low65.8Low154 Ų15456.3 Ų56.382%0.82431%0.314SS*.THydrogen-bonded Turntrans-81.2-19.5174.3-73.5-16000114.5Q534Q534-N536 PolarHBondContact O-N 3.48Å
537Y50.3Low67.1Low108 Ų10851.7 Ų51.742%0.42428%0.284SS..SBendtrans-94.9105.4177.2-68.5-83.3000109.1Q534Q534-Y537 HydrophobicContact CB-CD2 4.05Å; Q534-Y537 HydrophobicContact CG-CD2 4.36Å; Q534-Y537 PolarHBondContact O-N 3.26Å
538G56.9Low68.6Low36 Ų3648.7 Ų48.737%0.37127%0.268SS..  trans-53.3153-17100000115.1R544G538-R544 VanDerWaalsContact N-NH1 3.11Å; G538-R544 PolarHBondContact O-NH1 3.09Å
539T72.2Confident70.1Confident92 Ų9249.9 Ų49.956%0.56427%0.271SS*.  trans-58.4144.8179.346.80000112.6T541T539-T541 WeakPolarHBondContact O-CG2 3.45Å; T539-T541 PolarHBondContact O-N 3.48Å; T539-T541 PolarHBondContact O-OG1 3.45Å; T539-T541 VanDerWaalsContact O-OG1 3.07Å; T539-T541 WeakPolarHBondContact OG1-CG2 3.4Å
540C80.5Confident71.7Confident3 Ų345.6 Ų45.62%0.0225%0.249CC..SBendtrans-58.394.8171.6178.80000109.5N498 F501 V517N498-C540 VanDerWaalsContact OD1-CB 3.27Å; N498-C540 WeakPolarHBondContact OD1-CB 3.39Å; N498-C540 PolarHBondContact OD1-N 2.94Å; F501-C540 HydrophobicContact CB-CB 4.08Å; F501-C540 HydrophobicContact CD1-CB 4.24Å; F501-C540 HydrophobicContact CD2-CB 4.38Å; F501-C540 WeakPolarHBondContact CD2-SG 3.39Å; F501-C540 HydrophobicContact CG-CB 4.01Å; F501-C540 VanDerWaalsContact CG-SG 3.53Å; V517-C540 WeakPolarHBondContact CG2-SG 3.38Å
541T86.8Confident73.2Confident26 Ų2646 Ų4616%0.1625%0.254CS..  trans-134.9154.3-171.3540000111T539 T543 R544 L545T539-T541 WeakPolarHBondContact O-CG2 3.45Å; T539-T541 PolarHBondContact O-N 3.48Å; T539-T541 PolarHBondContact O-OG1 3.45Å; T539-T541 VanDerWaalsContact O-OG1 3.07Å; T539-T541 WeakPolarHBondContact OG1-CG2 3.4Å; T541-T543 VanDerWaalsContact C-N 3.25Å; T541-T543 PolarHBondContact O-N 3.36Å; T541-R544 PolarHBondContact O-N 3.25Å; T541-R544 WeakPolarHBondContact OG1-CB 3.37Å; T541-R544 PolarHBondContact OG1-N 3.02Å; T541-L545 PolarHBondContact O-N 2.88Å
542F88.6Confident74.6Confident5 Ų549.4 Ų49.42%0.02227%0.272CS..Hα-helixtrans-62.6-32.9173.6-68.6-54.4000112.5I514 V517 R518 Q521 L545 L546 L575 I598 L601I514-F542 HydrophobicContact CG2-CE1 4.22Å; V517-F542 HydrophobicContact CB-CD1 4.1Å; V517-F542 HydrophobicContact CB-CE1 3.76Å; V517-F542 HydrophobicContact CB-CZ 4.1Å; V517-F542 HydrophobicContact CG1-CD1 3.67Å; V517-F542 HydrophobicContact CG1-CD2 3.87Å; V517-F542 HydrophobicContact CG1-CE1 3.57Å; V517-F542 HydrophobicContact CG1-CE2 3.77Å; V517-F542 HydrophobicContact CG1-CG 3.83Å; V517-F542 HydrophobicContact CG1-CZ 3.63Å; V517-F542 HydrophobicContact CG2-CD1 4.46Å; R518-F542 HydrophobicContact CG-CE1 4.46Å; R518-F542 HydrophobicContact CG-CZ 3.73Å; Q521-F542 VanDerWaalsContact OE1-CE2 3.31Å; F542-L545 PolarHBondContact O-N 3.17Å; F542-L546 VanDerWaalsContact O-CB 3.31Å; F542-L546 WeakPolarHBondContact O-CB 3.39Å; F542-L546 PolarHBondContact O-N 3.39Å; F542-L575 HydrophobicContact CD1-CD2 3.52Å; F542-L575 HydrophobicContact CE1-CD2 3.73Å; F542-L575 HydrophobicContact CG-CD2 4.33Å; F542-I598 HydrophobicContact CD2-CG2 4.33Å; F542-L601 HydrophobicContact CB-CD1 4.16Å
543T89Confident75.8Confident18 Ų1842.9 Ų42.911%0.1124%0.243CC..Hα-helixtrans-57.7-50.6172.9-59.80000111.1T541 L545 L546 A547 H600 L601 D602 D605 V606T541-T543 VanDerWaalsContact C-N 3.25Å; T541-T543 PolarHBondContact O-N 3.36Å; T543-L545 PolarHBondContact O-N 2.92Å; T543-L546 PolarHBondContact O-N 2.86Å; T543-A547 VanDerWaalsContact O-CB 3.26Å; T543-A547 WeakPolarHBondContact O-CB 3.33Å; T543-A547 PolarHBondContact O-N 2.94Å; T543-H600 PolarHBondContact OG1-O 3.04Å; T543-L601 VanDerWaalsContact OG1-CA 3.29Å; T543-L601 WeakPolarHBondContact OG1-CA 3.39Å; T543-D602 HydrophobicContact CG2-CB 4.28Å; T543-D602 PolarHBondContact OG1-N 3.34Å; T543-D605 HydrophobicContact CG2-CB 4.25Å; T543-V606 HydrophobicContact CG2-CG2 3.93Å; T543-V606 WeakPolarHBondContact O-CG2 3.37Å
544R88.7Confident76.8Confident56 Ų5644.9 Ų44.921%0.21126%0.257CS..Hα-helixtrans-66.1-39.1-179.9-169170-177-168.2-0.3112.4F501 E502 L505 G538 T541 A547 H548F501-R544 HydrophobicContact CE1-CB 4.06Å; F501-R544 HydrophobicContact CE1-CG 3.92Å; F501-R544 HydrophobicContact CZ-CB 4.32Å; E502-R544 IonicContact OE1-CZ 2.76Å; E502-R544 IonicContact OE1-NE 3.95Å; E502-R544 PolarHBondContact OE1-NE 3.44Å; E502-R544 IonicContact OE1-NH1 3.87Å; E502-R544 PolarHBondContact OE1-NH1 3.33Å; E502-R544 IonicContact OE1-NH2 3.58Å; E502-R544 PolarHBondContact OE1-NH2 3.05Å; E502-R544 IonicContact OE2-CZ 3.97Å; E502-R544 IonicContact OE2-NH1 3.99Å; E502-R544 IonicContact OE2-NH2 3.5Å; E502-R544 PolarHBondContact OE2-NH2 3.45Å; L505-R544 HydrophobicContact CD1-CG 4.45Å; G538-R544 VanDerWaalsContact N-NH1 3.11Å; G538-R544 PolarHBondContact O-NH1 3.09Å; T541-R544 PolarHBondContact O-N 3.25Å; T541-R544 WeakPolarHBondContact OG1-CB 3.37Å; T541-R544 PolarHBondContact OG1-N 3.02Å; R544-A547 PolarHBondContact O-N 3.22Å; R544-H548 WeakPolarHBondContact O-CB 3.42Å; R544-H548 PolarHBondContact O-N 3.3Å
545L91.1Very high77.5Confident4 Ų443.6 Ų43.62%0.02125%0.251CS..Hα-helixtrans-60.1-51.3175.7-174.2154.4000111F501 L505 Y510 A513 I514 T541 F542 T543 A547 H548 W549F501-L545 HydrophobicContact CE2-CB 4.04Å; F501-L545 HydrophobicContact CE2-CD1 4.14Å; F501-L545 HydrophobicContact CE2-CG 4.45Å; F501-L545 HydrophobicContact CZ-CB 3.81Å; L505-L545 HydrophobicContact CD2-CB 4.44Å; L505-L545 HydrophobicContact CD2-CG 4.14Å; Y510-L545 HydrophobicContact CD1-CD2 4.28Å; Y510-L545 HydrophobicContact CD1-CG 4.44Å; A513-L545 HydrophobicContact CB-CD1 3.6Å; A513-L545 HydrophobicContact CB-CG 4.46Å; I514-L545 HydrophobicContact CB-CD1 4.43Å; I514-L545 HydrophobicContact CG1-CD1 3.64Å; I514-L545 HydrophobicContact CG1-CD2 4.28Å; T541-L545 PolarHBondContact O-N 2.88Å; F542-L545 PolarHBondContact O-N 3.17Å; T543-L545 PolarHBondContact O-N 2.92Å; L545-A547 VanDerWaalsContact C-N 3.35Å; L545-H548 PolarHBondContact O-N 3.38Å; L545-W549 PolarHBondContact O-N 3.46Å
546L90.3Very high78.4Confident0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-68.5-35.8-177.4-171.564.8000111.2F542 T543 W549 A550 I571 L601 F603 V606F542-L546 VanDerWaalsContact O-CB 3.31Å; F542-L546 WeakPolarHBondContact O-CB 3.39Å; F542-L546 PolarHBondContact O-N 3.39Å; T543-L546 PolarHBondContact O-N 2.86Å; L546-W549 HydrophobicContact CD1-CE3 3.97Å; L546-W549 PolarHBondContact O-N 2.96Å; L546-A550 VanDerWaalsContact O-CB 3.25Å; L546-A550 WeakPolarHBondContact O-CB 3.22Å; L546-A550 PolarHBondContact O-N 3.16Å; L546-I571 HydrophobicContact CD1-CG2 3.78Å; L546-L601 HydrophobicContact CD2-CD1 4.18Å; L546-F603 HydrophobicContact CD2-CD1 4.21Å; L546-F603 HydrophobicContact CD2-CE1 4.11Å; L546-V606 HydrophobicContact CB-CG1 4.31Å; L546-V606 HydrophobicContact CB-CG2 4.15Å; L546-V606 HydrophobicContact CD2-CG1 4.11Å; L546-V606 HydrophobicContact CD2-CG2 4.26Å; L546-V606 HydrophobicContact CG-CG1 3.84Å; L546-V606 HydrophobicContact CG-CG2 4.36Å
547A91.4Very high79.1Confident0 Ų039.6 Ų39.60%023%0.232CC..Hα-helixtrans-62.9-46.2173.100000112.1T543 R544 L545 W549 A550 C551 V606 Q609T543-A547 VanDerWaalsContact O-CB 3.26Å; T543-A547 WeakPolarHBondContact O-CB 3.33Å; T543-A547 PolarHBondContact O-N 2.94Å; R544-A547 PolarHBondContact O-N 3.22Å; L545-A547 VanDerWaalsContact C-N 3.35Å; A547-W549 VanDerWaalsContact C-N 3.34Å; A547-W549 PolarHBondContact O-N 2.94Å; A547-A550 PolarHBondContact O-N 3.04Å; A547-C551 PolarHBondContact O-N 2.92Å; A547-C551 PolarHBondContact O-SG 3.31Å; A547-V606 HydrophobicContact CB-CG1 4.45Å; A547-V606 HydrophobicContact CB-CG2 4.21Å; A547-Q609 HydrophobicContact CB-CB 4.4Å; A547-Q609 VanDerWaalsContact CB-OE1 3.3Å
548H91.8Very high79.4Confident41 Ų4139.6 Ų39.619%0.1925%0.248CC..Hα-helixtrans-60.2-45.2175.8-174.9-79.8000111.7L505 Y510 R544 L545 C551 N552L505-H548 VanDerWaalsContact C-CE1 3.5Å; L505-H548 HydrophobicContact CD1-CB 3.9Å; L505-H548 HydrophobicContact CD2-CB 4.17Å; L505-H548 HydrophobicContact CG-CB 4.46Å; L505-H548 PolarHBondContact O-CE1 2.97Å; L505-H548 PolarHBondContact O-NE2 3.28Å; Y510-H548 AromaticContact CE1-ND1 3.7Å; Y510-H548 AromaticContact CZ-ND1 3.85Å; Y510-H548 PolarHBondContact OH-ND1 2.95Å; Y510-H548 VanDerWaalsContact OH-ND1 3.14Å; R544-H548 WeakPolarHBondContact O-CB 3.42Å; R544-H548 PolarHBondContact O-N 3.3Å; L545-H548 PolarHBondContact O-N 3.38Å; H548-C551 PolarHBondContact O-N 3.18Å; H548-N552 PolarHBondContact CD2-ND2 3.49Å; H548-N552 PolarHBondContact CE1-ND2 3.28Å; H548-N552 PolarHBondContact NE2-ND2 2.87Å; H548-N552 WeakPolarHBondContact O-CB 3.34Å; H548-N552 PolarHBondContact O-N 3.38Å; H548-N552 PolarHBondContact O-ND2 3.28Å
549W91.6Very high79.6Confident30 Ų3040.7 Ų40.711%0.11424%0.243CC..Hα-helixtrans-60.5-45.8174.9176.484.6000111.8Y510 L545 L546 A547 C551 N552 S553 I555 V568 I571 V618 I622Y510-W549 HydrophobicContact CD1-CB 4.15Å; Y510-W549 HydrophobicContact CE1-CB 3.67Å; Y510-W549 HydrophobicContact CE1-CG 4.41Å; Y510-W549 AromaticContact CE2-CD1 3.76Å; Y510-W549 AromaticContact CZ-CD1 3.9Å; L545-W549 PolarHBondContact O-N 3.46Å; L546-W549 HydrophobicContact CD1-CE3 3.97Å; L546-W549 PolarHBondContact O-N 2.96Å; A547-W549 VanDerWaalsContact C-N 3.34Å; A547-W549 PolarHBondContact O-N 2.94Å; W549-C551 VanDerWaalsContact C-N 3.31Å; W549-C551 PolarHBondContact O-N 3.03Å; W549-N552 PolarHBondContact O-N 2.72Å; W549-S553 WeakPolarHBondContact O-CA 3.39Å; W549-S553 WeakPolarHBondContact O-CB 3.37Å; W549-S553 PolarHBondContact O-N 3.41Å; W549-S553 PolarHBondContact O-OG 3.15Å; W549-I555 HydrophobicContact CH2-CD1 3.97Å; W549-I555 HydrophobicContact CZ2-CD1 3.75Å; W549-V568 HydrophobicContact CH2-CG2 3.79Å; W549-V568 HydrophobicContact CZ3-CG2 3.92Å; W549-I571 HydrophobicContact CD2-CD1 3.8Å; W549-I571 HydrophobicContact CE3-CD1 4.1Å; W549-I571 HydrophobicContact CH2-CD1 3.56Å; W549-I571 HydrophobicContact CZ2-CD1 3.19Å; W549-I571 HydrophobicContact CZ3-CD1 4Å; W549-V618 HydrophobicContact CZ3-CG1 4.05Å; W549-I622 HydrophobicContact CZ3-CD1 4.4Å
550A90.1Very high79.2Confident0 Ų038.8 Ų38.80%024%0.237CC..Hα-helixtrans-61.8-38.8-178.600000112L546 A547 V606 A610 V618 I622L546-A550 VanDerWaalsContact O-CB 3.25Å; L546-A550 WeakPolarHBondContact O-CB 3.22Å; L546-A550 PolarHBondContact O-N 3.16Å; A547-A550 PolarHBondContact O-N 3.04Å; A550-V606 HydrophobicContact CB-CG1 4.1Å; A550-A610 HydrophobicContact CB-CB 3.99Å; A550-V618 HydrophobicContact CB-CG1 4.07Å; A550-I622 HydrophobicContact CB-CD1 3.62Å
551C89.3Confident78.8Confident26 Ų2641.2 Ų41.218%0.17626%0.257CS..Hα-helixtrans-73.6-40.4177.4-64.70000113.2A547 H548 W549 A613A547-C551 PolarHBondContact O-N 2.92Å; A547-C551 PolarHBondContact O-SG 3.31Å; H548-C551 PolarHBondContact O-N 3.18Å; W549-C551 VanDerWaalsContact C-N 3.31Å; W549-C551 PolarHBondContact O-N 3.03Å; C551-A613 HydrophobicContact CB-CB 3.88Å
552N85.2Confident78.3Confident89 Ų8944.2 Ų44.248%0.47628%0.275SS..Hα-helixtrans-104-3.1-168.8-67.6-44.1000115.1H548 W549 S554H548-N552 PolarHBondContact CD2-ND2 3.49Å; H548-N552 PolarHBondContact CE1-ND2 3.28Å; H548-N552 PolarHBondContact NE2-ND2 2.87Å; H548-N552 WeakPolarHBondContact O-CB 3.34Å; H548-N552 PolarHBondContact O-N 3.38Å; H548-N552 PolarHBondContact O-ND2 3.28Å; W549-N552 PolarHBondContact O-N 2.72Å; N552-S554 PolarHBondContact O-N 3.33Å
553S78Confident77.8Confident8 Ų847.5 Ų47.56%0.05629%0.293CS..  trans-57.2139.1179.763.20000111.8W549 I555 R615W549-S553 WeakPolarHBondContact O-CA 3.39Å; W549-S553 WeakPolarHBondContact O-CB 3.37Å; W549-S553 PolarHBondContact O-N 3.41Å; W549-S553 PolarHBondContact O-OG 3.15Å; S553-I555 PolarHBondContact O-N 2.97Å; S553-I555 VanDerWaalsContact O-N 3.07Å; S553-R615 PolarHBondContact O-NH2 3.19Å
554S69.2Low77.3Confident105 Ų10546.7 Ų46.773%0.73429%0.288SS*.  trans-712.7176.960.80000113.5N552 T556N552-S554 PolarHBondContact O-N 3.33Å; S554-T556 PolarHBondContact O-N 3.08Å
555I65.4Low76.7Confident4 Ų445.7 Ų45.72%0.02129%0.29CS..  trans-60.5102.7177.2-62.6177000106.9W549 S553 E559 I564 R615 V618W549-I555 HydrophobicContact CH2-CD1 3.97Å; W549-I555 HydrophobicContact CZ2-CD1 3.75Å; S553-I555 PolarHBondContact O-N 2.97Å; S553-I555 VanDerWaalsContact O-N 3.07Å; I555-E559 HydrophobicContact CG2-CB 4.34Å; I555-I564 HydrophobicContact CG2-CD1 3.45Å; I555-I564 VanDerWaalsContact CG2-CD1 3.45Å; I555-I564 HydrophobicContact CG2-CG1 3.55Å; I555-R615 PolarHBondContact O-NH1 3.36Å; I555-V618 HydrophobicContact CG2-CG2 4.45Å
556T57.5Low76.3Confident76 Ų7651.6 Ų51.647%0.46632%0.317SS..  trans-69.5150.6172.962.60000108.2S554 S558 E559S554-T556 PolarHBondContact O-N 3.08Å; T556-S558 PolarHBondContact O-N 3.42Å; T556-S558 WeakPolarHBondContact OG1-CB 3.45Å; T556-E559 PolarHBondContact O-N 2.89Å
557S56.6Low75.9Confident105 Ų10556.6 Ų56.673%0.73434%0.336SS*.THydrogen-bonded Turntrans-57.9-10.1172.246.40000113.6
558S57.4Low75.5Confident108 Ų10856.6 Ų56.676%0.75534%0.336SS*.THydrogen-bonded Turntrans-78.6-24.3175.1-165.70000113.5T556 A560T556-S558 PolarHBondContact O-N 3.42Å; T556-S558 WeakPolarHBondContact OG1-CB 3.45Å; S558-A560 PolarHBondContact O-N 3.44Å
559E61.5Low75.1Confident58 Ų5856.3 Ų56.327%0.27134%0.341SS..SBendtrans-66.1132.4176.2-69.9-170.9163.900110I555 T556 A561 R567I555-E559 HydrophobicContact CG2-CB 4.34Å; T556-E559 PolarHBondContact O-N 2.89Å; E559-A561 PolarHBondContact O-N 3.48Å; E559-R567 IonicContact OE1-NH1 2.89Å; E559-R567 IonicContact OE1-NH2 2.88Å; E559-R567 IonicContact OE2-CZ 3.69Å; E559-R567 IonicContact OE2-NH1 3.34Å; E559-R567 PolarHBondContact OE2-NH1 3.47Å; E559-R567 IonicContact OE2-NH2 3.87Å
560A63.4Low74.7Confident52 Ų5257.3 Ų57.343%0.4336%0.355SS..  trans-54.1134.5-178.700000110.7S558 T562 L563 I564S558-A560 PolarHBondContact O-N 3.44Å; A560-T562 PolarHBondContact O-N 2.56Å; A560-L563 HydrophobicContact CB-CD1 4.35Å; A560-L563 WeakPolarHBondContact O-CB 3.44Å; A560-L563 PolarHBondContact O-N 3.37Å; A560-I564 PolarHBondContact O-N 3.41Å
561A72Confident74.3Confident55 Ų5559 Ų5946%0.45536%0.364SS..Hα-helixtrans-52-29-177.500000113.3E559 I564 S565E559-A561 PolarHBondContact O-N 3.48Å; A561-I564 PolarHBondContact O-N 3.37Å; A561-S565 PolarHBondContact O-N 2.99Å
562T76Confident74.1Confident88 Ų8858.3 Ų58.354%0.5436%0.359SS..Hα-helixtrans-60.9-46.4174.451.60000112.8A560 I564 S565 E566A560-T562 PolarHBondContact O-N 2.56Å; T562-I564 VanDerWaalsContact C-N 3.3Å; T562-I564 PolarHBondContact O-N 2.78Å; T562-S565 WeakPolarHBondContact O-CB 3.39Å; T562-S565 PolarHBondContact O-N 3.04Å; T562-S565 VanDerWaalsContact O-N 3.16Å; T562-S565 PolarHBondContact O-OG 3.37Å; T562-E566 WeakPolarHBondContact O-CG 3.5Å; T562-E566 PolarHBondContact O-N 2.74Å
563L79Confident74Confident74 Ų7458 Ų5839%0.38736%0.357SS..Hα-helixtrans-63.9-37.6178-74.9158.9000111.8A560 R567A560-L563 HydrophobicContact CB-CD1 4.35Å; A560-L563 WeakPolarHBondContact O-CB 3.44Å; A560-L563 PolarHBondContact O-N 3.37Å; L563-R567 WeakPolarHBondContact O-CB 3.24Å; L563-R567 VanDerWaalsContact O-CG 3.32Å; L563-R567 WeakPolarHBondContact O-CG 3.34Å; L563-R567 PolarHBondContact O-N 3.46Å
564I77.7Confident74.1Confident1 Ų164.2 Ų64.21%0.00538%0.383CS..Hα-helixtrans-63.9-46.4175.2-54-177.7000109.3I555 A560 A561 T562 E566 R567 V568 V618 Q621I555-I564 HydrophobicContact CG2-CD1 3.45Å; I555-I564 VanDerWaalsContact CG2-CD1 3.45Å; I555-I564 HydrophobicContact CG2-CG1 3.55Å; A560-I564 PolarHBondContact O-N 3.41Å; A561-I564 PolarHBondContact O-N 3.37Å; T562-I564 VanDerWaalsContact C-N 3.3Å; T562-I564 PolarHBondContact O-N 2.78Å; I564-E566 PolarHBondContact O-N 3.45Å; I564-R567 PolarHBondContact O-N 3.42Å; I564-V568 HydrophobicContact CG2-CG2 4.28Å; I564-V568 VanDerWaalsContact O-CG2 3.28Å; I564-V568 WeakPolarHBondContact O-CG2 3.48Å; I564-V568 PolarHBondContact O-N 3.28Å; I564-V618 HydrophobicContact CG2-CG2 3.95Å; I564-Q621 HydrophobicContact CB-CG 4.48Å; I564-Q621 HydrophobicContact CG2-CB 4.46Å; I564-Q621 HydrophobicContact CG2-CG 4.11Å
565S77.5Confident74.7Confident36 Ų3659.6 Ų59.625%0.25235%0.35SS..Hα-helixtrans-59.6-44.3178.879.20000112.5A561 T562 V568 A569A561-S565 PolarHBondContact O-N 2.99Å; T562-S565 WeakPolarHBondContact O-CB 3.39Å; T562-S565 PolarHBondContact O-N 3.04Å; T562-S565 VanDerWaalsContact O-N 3.16Å; T562-S565 PolarHBondContact O-OG 3.37Å; S565-V568 PolarHBondContact O-N 3.46Å; S565-A569 VanDerWaalsContact O-CB 3.28Å; S565-A569 WeakPolarHBondContact O-CB 3.14Å; S565-A569 PolarHBondContact O-N 3.26Å
566E82.2Confident75.1Confident127 Ų12761.1 Ų61.159%0.59336%0.357SS*.Hα-helixtrans-65-41.4178-72.7174.7-178.600111.7T562 I564 A569 A570T562-E566 WeakPolarHBondContact O-CG 3.5Å; T562-E566 PolarHBondContact O-N 2.74Å; I564-E566 PolarHBondContact O-N 3.45Å; E566-A569 PolarHBondContact O-N 2.75Å; E566-A570 WeakPolarHBondContact O-CB 3.36Å; E566-A570 PolarHBondContact O-N 2.95Å
567R81.8Confident75.4Confident105 Ų10561.2 Ų61.240%0.39636%0.355SS..Hα-helixtrans-65.9-45.9176.2-75.8179.3178.81685.9111.7E559 L563 I564 A569 A570 I571E559-R567 IonicContact OE1-NH1 2.89Å; E559-R567 IonicContact OE1-NH2 2.88Å; E559-R567 IonicContact OE2-CZ 3.69Å; E559-R567 IonicContact OE2-NH1 3.34Å; E559-R567 PolarHBondContact OE2-NH1 3.47Å; E559-R567 IonicContact OE2-NH2 3.87Å; L563-R567 WeakPolarHBondContact O-CB 3.24Å; L563-R567 VanDerWaalsContact O-CG 3.32Å; L563-R567 WeakPolarHBondContact O-CG 3.34Å; L563-R567 PolarHBondContact O-N 3.46Å; I564-R567 PolarHBondContact O-N 3.42Å; R567-A569 VanDerWaalsContact C-N 3.32Å; R567-A569 PolarHBondContact O-N 3.32Å; R567-A570 PolarHBondContact O-N 3.48Å; R567-I571 WeakPolarHBondContact O-CD1 2.93Å; R567-I571 VanDerWaalsContact O-CG1 3.23Å; R567-I571 WeakPolarHBondContact O-CG1 3.17Å; R567-I571 PolarHBondContact O-N 2.9Å
568V81.7Confident75.4Confident1 Ų161.3 Ų61.31%0.00635%0.347CS..Hα-helixtrans-59.8-46.3176173.20000109.4W549 I564 S565 A570 I571 V572 Q621 I622 Y625W549-V568 HydrophobicContact CH2-CG2 3.79Å; W549-V568 HydrophobicContact CZ3-CG2 3.92Å; I564-V568 HydrophobicContact CG2-CG2 4.28Å; I564-V568 VanDerWaalsContact O-CG2 3.28Å; I564-V568 WeakPolarHBondContact O-CG2 3.48Å; I564-V568 PolarHBondContact O-N 3.28Å; S565-V568 PolarHBondContact O-N 3.46Å; V568-A570 PolarHBondContact O-N 3.24Å; V568-I571 PolarHBondContact O-N 3.24Å; V568-V572 HydrophobicContact CG1-CG2 4.12Å; V568-V572 WeakPolarHBondContact O-CB 3.3Å; V568-V572 WeakPolarHBondContact O-CG2 3.48Å; V568-V572 PolarHBondContact O-N 3.38Å; V568-Q621 HydrophobicContact CG2-CB 4.34Å; V568-I622 HydrophobicContact CG1-CG1 4Å; V568-I622 HydrophobicContact CG2-CG1 4.22Å; V568-Y625 HydrophobicContact CG1-CD2 4.16Å; V568-Y625 HydrophobicContact CG1-CE2 3.65Å
569A83.9Confident75Confident35 Ų3560.8 Ų60.829%0.28934%0.343SS..Hα-helixtrans-57.5-47.4176.300000112S565 E566 R567 I571 V572 D573 Y625S565-A569 VanDerWaalsContact O-CB 3.28Å; S565-A569 WeakPolarHBondContact O-CB 3.14Å; S565-A569 PolarHBondContact O-N 3.26Å; E566-A569 PolarHBondContact O-N 2.75Å; R567-A569 VanDerWaalsContact C-N 3.32Å; R567-A569 PolarHBondContact O-N 3.32Å; A569-I571 VanDerWaalsContact C-N 3.33Å; A569-I571 PolarHBondContact O-N 3.01Å; A569-V572 PolarHBondContact O-N 3.39Å; A569-D573 WeakPolarHBondContact O-CB 3.2Å; A569-D573 PolarHBondContact O-N 3.02Å; A569-Y625 VanDerWaalsContact CA-OH 3.24Å; A569-Y625 WeakPolarHBondContact CA-OH 3.26Å; A569-Y625 VanDerWaalsContact CB-OH 3.27Å; A569-Y625 WeakPolarHBondContact CB-OH 3.27Å
570A83.9Confident73.9Confident50 Ų5061.6 Ų61.641%0.41336%0.355SS..Hα-helixtrans-64.8-35.3178.100000113E566 R567 V568 K574E566-A570 WeakPolarHBondContact O-CB 3.36Å; E566-A570 PolarHBondContact O-N 2.95Å; R567-A570 PolarHBondContact O-N 3.48Å; V568-A570 PolarHBondContact O-N 3.24Å; A570-K574 WeakPolarHBondContact O-CB 3.42Å; A570-K574 VanDerWaalsContact O-CG 3.3Å; A570-K574 WeakPolarHBondContact O-CG 3.35Å; A570-K574 PolarHBondContact O-N 3.08Å; A570-K574 VanDerWaalsContact O-N 3.07Å
571I82.1Confident72.8Confident36 Ų3668.7 Ų68.719%0.18538%0.38CS..Hα-helixtrans-68-52.5175.7-69.7163.5000109.6L546 W549 R567 V568 A569 D573 K574 L575L546-I571 HydrophobicContact CD1-CG2 3.78Å; W549-I571 HydrophobicContact CD2-CD1 3.8Å; W549-I571 HydrophobicContact CE3-CD1 4.1Å; W549-I571 HydrophobicContact CH2-CD1 3.56Å; W549-I571 HydrophobicContact CZ2-CD1 3.19Å; W549-I571 HydrophobicContact CZ3-CD1 4Å; R567-I571 WeakPolarHBondContact O-CD1 2.93Å; R567-I571 VanDerWaalsContact O-CG1 3.23Å; R567-I571 WeakPolarHBondContact O-CG1 3.17Å; R567-I571 PolarHBondContact O-N 2.9Å; V568-I571 PolarHBondContact O-N 3.24Å; A569-I571 VanDerWaalsContact C-N 3.33Å; A569-I571 PolarHBondContact O-N 3.01Å; I571-D573 VanDerWaalsContact C-N 3.32Å; I571-D573 PolarHBondContact O-N 3.41Å; I571-K574 WeakPolarHBondContact O-CB 3.44Å; I571-K574 PolarHBondContact O-N 3.28Å; I571-K574 VanDerWaalsContact O-N 3.14Å; I571-L575 HydrophobicContact CG2-CD1 4.18Å; I571-L575 HydrophobicContact CG2-CG 4.4Å; I571-L575 VanDerWaalsContact O-CG 3.31Å; I571-L575 WeakPolarHBondContact O-CG 3.43Å; I571-L575 PolarHBondContact O-N 3.11Å
572V83.6Confident71.1Confident11 Ų1170.9 Ų70.97%0.06739%0.391CS..Hα-helixtrans-51.8-55176167.10000108.7V568 A569 K574 L575 F576 F603 Y625V568-V572 HydrophobicContact CG1-CG2 4.12Å; V568-V572 WeakPolarHBondContact O-CB 3.3Å; V568-V572 WeakPolarHBondContact O-CG2 3.48Å; V568-V572 PolarHBondContact O-N 3.38Å; A569-V572 PolarHBondContact O-N 3.39Å; V572-K574 VanDerWaalsContact C-N 3.3Å; V572-K574 PolarHBondContact O-N 2.88Å; V572-L575 WeakPolarHBondContact O-CA 3.13Å; V572-L575 WeakPolarHBondContact O-CB 3.03Å; V572-L575 PolarHBondContact O-N 3.31Å; V572-F576 HydrophobicContact CG1-CD2 3.62Å; V572-F576 HydrophobicContact CG1-CE2 3.53Å; V572-F576 WeakPolarHBondContact O-CD2 3.45Å; V572-F576 PolarHBondContact O-N 2.89Å; V572-F603 HydrophobicContact CG2-CE1 4.12Å; V572-Y625 HydrophobicContact CB-CE1 4.29Å; V572-Y625 HydrophobicContact CG1-CD1 3.82Å; V572-Y625 HydrophobicContact CG1-CE1 3.73Å; V572-Y625 HydrophobicContact CG2-CD1 4.37Å; V572-Y625 HydrophobicContact CG2-CD2 4.46Å; V572-Y625 HydrophobicContact CG2-CE1 4.32Å; V572-Y625 HydrophobicContact CG2-CE2 4.44Å; V572-Y625 HydrophobicContact CG2-CG 4.44Å
573D83.3Confident69.2Low84 Ų8475.8 Ų75.845%0.44941%0.405SS..Hα-helixtrans-53.5-44.1178.9-166.463.6000112.8A569 I571 L575 F576 N577A569-D573 WeakPolarHBondContact O-CB 3.2Å; A569-D573 PolarHBondContact O-N 3.02Å; I571-D573 VanDerWaalsContact C-N 3.32Å; I571-D573 PolarHBondContact O-N 3.41Å; D573-L575 VanDerWaalsContact C-N 3.33Å; D573-L575 PolarHBondContact O-N 3.4Å; D573-F576 PolarHBondContact O-N 3.44Å; D573-N577 VanDerWaalsContact O-CB 3.3Å; D573-N577 WeakPolarHBondContact O-CB 3.46Å; D573-N577 PolarHBondContact O-N 3Å; D573-N577 PolarHBondContact OD1-ND2 3.35Å; D573-N577 PolarHBondContact OD2-ND2 2.96Å
574K81.2Confident67.2Low137 Ų13777.4 Ų77.460%0.59642%0.423SS*.Hα-helixtrans-64.2-33.9173.8-76.6177.8-178.7-177.40113.6R518 A570 I571 V572 F576R518-K574 PolarHBondContact NH2-O 2.7Å; A570-K574 WeakPolarHBondContact O-CB 3.42Å; A570-K574 VanDerWaalsContact O-CG 3.3Å; A570-K574 WeakPolarHBondContact O-CG 3.35Å; A570-K574 PolarHBondContact O-N 3.08Å; A570-K574 VanDerWaalsContact O-N 3.07Å; I571-K574 WeakPolarHBondContact O-CB 3.44Å; I571-K574 PolarHBondContact O-N 3.28Å; I571-K574 VanDerWaalsContact O-N 3.14Å; V572-K574 VanDerWaalsContact C-N 3.3Å; V572-K574 PolarHBondContact O-N 2.88Å; K574-F576 VanDerWaalsContact C-N 3.33Å
575L80.4Confident65.1Low8 Ų887.6 Ų87.64%0.04247%0.467CS..Hα-helixtrans-68.6-33.9175-63.7178.8000111.3I514 F542 I571 V572 D573 L601I514-L575 HydrophobicContact CD1-CD2 3.9Å; I514-L575 HydrophobicContact CG1-CD2 3.8Å; I514-L575 HydrophobicContact CG2-CD2 4.38Å; F542-L575 HydrophobicContact CD1-CD2 3.52Å; F542-L575 HydrophobicContact CE1-CD2 3.73Å; F542-L575 HydrophobicContact CG-CD2 4.33Å; I571-L575 HydrophobicContact CG2-CD1 4.18Å; I571-L575 HydrophobicContact CG2-CG 4.4Å; I571-L575 VanDerWaalsContact O-CG 3.31Å; I571-L575 WeakPolarHBondContact O-CG 3.43Å; I571-L575 PolarHBondContact O-N 3.11Å; V572-L575 WeakPolarHBondContact O-CA 3.13Å; V572-L575 WeakPolarHBondContact O-CB 3.03Å; V572-L575 PolarHBondContact O-N 3.31Å; D573-L575 VanDerWaalsContact C-N 3.33Å; D573-L575 PolarHBondContact O-N 3.4Å; L575-L601 HydrophobicContact CD1-CD2 4.48Å
576F74.3Confident63.1Low37 Ų3791.2 Ų91.216%0.16249%0.492CS..Hα-helixtrans-87.1-45.3-179-73.4-84.9000114.1V572 D573 K574 N578 S579 T596 I598 L601 F603V572-F576 HydrophobicContact CG1-CD2 3.62Å; V572-F576 HydrophobicContact CG1-CE2 3.53Å; V572-F576 WeakPolarHBondContact O-CD2 3.45Å; V572-F576 PolarHBondContact O-N 2.89Å; D573-F576 PolarHBondContact O-N 3.44Å; K574-F576 VanDerWaalsContact C-N 3.33Å; F576-N578 PolarHBondContact O-N 3.21Å; F576-S579 PolarHBondContact O-N 3.44Å; F576-S579 PolarHBondContact O-OG 3.48Å; F576-T596 WeakPolarHBondContact CE1-O 3.44Å; F576-I598 HydrophobicContact CD1-CD1 3.3Å; F576-I598 HydrophobicContact CD1-CG1 3.56Å; F576-I598 HydrophobicContact CD2-CD1 4.14Å; F576-I598 HydrophobicContact CE1-CB 4.21Å; F576-I598 HydrophobicContact CE1-CD1 3.21Å; F576-I598 HydrophobicContact CE1-CG1 3.34Å; F576-I598 HydrophobicContact CE2-CD1 3.98Å; F576-I598 HydrophobicContact CG-CD1 3.78Å; F576-I598 HydrophobicContact CG-CG1 4.48Å; F576-I598 HydrophobicContact CZ-CD1 3.55Å; F576-I598 HydrophobicContact CZ-CG1 4.07Å; F576-L601 HydrophobicContact CE2-CD2 4.15Å; F576-L601 HydrophobicContact CZ-CD2 4.16Å; F576-F603 HydrophobicContact CE2-CZ 4.09Å; F576-F603 HydrophobicContact CZ-CE2 4.48Å; F576-F603 HydrophobicContact CZ-CZ 4.16Å
577N63.5Low60.7Low78 Ų7890.3 Ų90.342%0.41750%0.5SS..Hα-helixtrans-76.3-21.3-159.9-81.3-11.6000116.7D573 S579 S580D573-N577 VanDerWaalsContact O-CB 3.3Å; D573-N577 WeakPolarHBondContact O-CB 3.46Å; D573-N577 PolarHBondContact O-N 3Å; D573-N577 PolarHBondContact OD1-ND2 3.35Å; D573-N577 PolarHBondContact OD2-ND2 2.96Å; N577-S579 PolarHBondContact O-N 3.25Å; N577-S580 PolarHBondContact O-OG 3.42Å
578N56.6Low58.3Low106 Ų10692.1 Ų92.157%0.56752%0.517SS*.THydrogen-bonded Turntrans-80.22.9177.8-73.81.7000114.1R518 F576 S580R518-N578 PolarHBondContact NH1-ND2 2.98Å; R518-N578 VanDerWaalsContact NH1-ND2 3.14Å; R518-N578 PolarHBondContact NH2-ND2 3.22Å; F576-N578 PolarHBondContact O-N 3.21Å; N578-S580 PolarHBondContact O-N 2.82Å
579S49.8Very low56Low97 Ų97101.2 Ų101.268%0.67856%0.56SS**THydrogen-bonded Turntrans-79.1-0.7172.860.30000113.9F576 N577F576-S579 PolarHBondContact O-N 3.44Å; F576-S579 PolarHBondContact O-OG 3.48Å; N577-S579 PolarHBondContact O-N 3.25Å
580S38.2Very low53.4Low76 Ų76108.9 Ų108.953%0.53159%0.589SS.*  trans-105.49.2-162.761.80000117.1N577 N578 S582N577-S580 PolarHBondContact O-OG 3.42Å; N578-S580 PolarHBondContact O-N 2.82Å; S580-S582 PolarHBondContact O-N 2.99Å
581E40.3Very low50.8Low201 Ų201110.6 Ų110.694%0.93960%0.603SS**THydrogen-bonded Turntrans-69.76.2176.5-81.5-172.5164.400115.2
582S36.1Very low48.3Very low100 Ų100116 Ų11670%0.69963%0.632SS**THydrogen-bonded Turntrans-113.915.9-179.954.30000115.7S580S580-S582 PolarHBondContact O-N 2.99Å
583K36.5Very low45.7Very low191 Ų191125.9 Ų125.983%0.8367%0.67SS**  trans-105.576.2173.9-72.3-172.5178.9179.90112.6K585K583-K585 PolarHBondContact O-N 3.27Å
584S36.1Very low43.2Very low108 Ų108133 Ų13376%0.75569%0.692SS**  trans-62.7113.9155.751.90000109.9S586S584-S586 PolarHBondContact O-N 3.41Å
585K33.7Very low40.7Very low215 Ų215131.2 Ų131.294%0.93570%0.697SS**  trans18.788.3151.2-61.7178.4-179.1177.40116.3K583K583-K585 PolarHBondContact O-N 3.27Å
586S35.8Very low38.3Very low113 Ų113135.8 Ų135.879%0.7973%0.725SS**  trans-129.7102.9147.964.90000108.4S584S584-S586 PolarHBondContact O-N 3.41Å
587S31Very low36.5Very low107 Ų107138.9 Ų138.975%0.74875%0.752SS**  trans-63.2146.7166.947.90000110.4
588N31.7Very low36Very low143 Ų143136.7 Ų136.777%0.76574%0.739SS**  trans87.887.8177.4-55.4-17.4000114.8
589H34.3Very low35.8Very low193 Ų193136.8 Ų136.889%0.89475%0.746SS**  -162.7106.3125.2-92.7-60.3000109.2
590H29.5Very low36.5Very low195 Ų195137.6 Ų137.690%0.90374%0.739SS**  trans-63.2123.8156-86.7-77.8000108.6
591A29.3Very low38.5Very low86 Ų86135 Ų13571%0.71172%0.718SS**  trans152.6132.6142.200000111.4
592N28.1Very low40.7Very low149 Ų149126.4 Ų126.480%0.79768%0.679SS**  trans76.184.4164.5-61.9-10.2000119.2Y594N592-Y594 PolarHBondContact O-N 3.3Å
593Y30Very low43.4Very low219 Ų219122.4 Ų122.486%0.85965%0.649SS**  trans-9370.7158-87.9-90.2000110.8
594Y31.2Very low46Very low235 Ų235113.5 Ų113.592%0.92261%0.611SS**  trans-146.353.8159.6-72-68.5000108.8N592N592-Y594 PolarHBondContact O-N 3.3Å
595S28.7Very low48.6Very low98 Ų98111.1 Ų111.169%0.68559%0.59SS**  trans-155.571.7177.5166.30000109.5
596T29.6Very low51.3Low105 Ų105100.9 Ų100.964%0.64455%0.545SS*.  trans-13061.6162.349.10000108.2F576 I598F576-T596 WeakPolarHBondContact CE1-O 3.44Å; T596-I598 PolarHBondContact O-N 3.02Å; T596-I598 VanDerWaalsContact O-N 3.14Å
597S37.5Very low54Low102 Ų10295.5 Ų95.571%0.71351%0.508SS*.  trans-70.4101.1159.437.60000107.1P599S597-P599 WeakPolarHBondContact O-CD 3.46Å
598I51.5Low57Low31 Ų3192.2 Ų92.216%0.15949%0.485CS..  trans-54.1126.6155.4-70.7165.8000104.6F542 F576 T596 H600 L601F542-I598 HydrophobicContact CD2-CG2 4.33Å; F576-I598 HydrophobicContact CD1-CD1 3.3Å; F576-I598 HydrophobicContact CD1-CG1 3.56Å; F576-I598 HydrophobicContact CD2-CD1 4.14Å; F576-I598 HydrophobicContact CE1-CB 4.21Å; F576-I598 HydrophobicContact CE1-CD1 3.21Å; F576-I598 HydrophobicContact CE1-CG1 3.34Å; F576-I598 HydrophobicContact CE2-CD1 3.98Å; F576-I598 HydrophobicContact CG-CD1 3.78Å; F576-I598 HydrophobicContact CG-CG1 4.48Å; F576-I598 HydrophobicContact CZ-CD1 3.55Å; F576-I598 HydrophobicContact CZ-CG1 4.07Å; T596-I598 PolarHBondContact O-N 3.02Å; T596-I598 VanDerWaalsContact O-N 3.14Å; I598-H600 PolarHBondContact O-N 3.36Å; I598-L601 HydrophobicContact CB-CB 4.44Å; I598-L601 PolarHBondContact O-N 3.14Å
599P54Low59.8Low109 Ų10989.6 Ų89.671%0.70847%0.468SS*.THydrogen-bonded Turntrans-58.70.5-170.9-26.233.5000116.5S597S597-P599 WeakPolarHBondContact O-CD 3.46Å
600H64.5Low62.5Low114 Ų11480.4 Ų80.453%0.52843%0.425SS..THydrogen-bonded Turntrans-146.410.3-169.4-58.4-59.6000116.3T543 I598T543-H600 PolarHBondContact OG1-O 3.04Å; I598-H600 PolarHBondContact O-N 3.36Å
601L80Confident65.5Low20 Ų2072.7 Ų72.711%0.10539%0.391CS..  trans-100.9111.4176.7-174.758000111F542 T543 L546 L575 F576 I598 F603F542-L601 HydrophobicContact CB-CD1 4.16Å; T543-L601 VanDerWaalsContact OG1-CA 3.29Å; T543-L601 WeakPolarHBondContact OG1-CA 3.39Å; L546-L601 HydrophobicContact CD2-CD1 4.18Å; L575-L601 HydrophobicContact CD1-CD2 4.48Å; F576-L601 HydrophobicContact CE2-CD2 4.15Å; F576-L601 HydrophobicContact CZ-CD2 4.16Å; I598-L601 HydrophobicContact CB-CB 4.44Å; I598-L601 PolarHBondContact O-N 3.14Å; L601-F603 HydrophobicContact CD2-CD1 4.38Å; L601-F603 HydrophobicContact CD2-CE1 3.57Å; L601-F603 HydrophobicContact CD2-CE2 4.03Å; L601-F603 HydrophobicContact CD2-CZ 3.37Å; L601-F603 HydrophobicContact CG-CD1 4.4Å; L601-F603 HydrophobicContact CG-CE1 4.05Å; L601-F603 HydrophobicContact CG-CE2 4.24Å; L601-F603 HydrophobicContact CG-CZ 3.97Å
602D86.6Confident68.5Low22 Ų2274 Ų7412%0.11839%0.394CS..  trans-106.896.9177.3-164.5-41.6000110.4T543 A604 D605 V606 R628 R631T543-D602 HydrophobicContact CG2-CB 4.28Å; T543-D602 PolarHBondContact OG1-N 3.34Å; D602-A604 VanDerWaalsContact C-N 3.28Å; D602-A604 PolarHBondContact O-N 3.22Å; D602-A604 WeakPolarHBondContact OD1-CB 3.18Å; D602-A604 PolarHBondContact OD1-N 3.37Å; D602-A604 VanDerWaalsContact OD1-N 3.09Å; D602-D605 HydrophobicContact CB-CB 4.16Å; D602-D605 PolarHBondContact O-N 2.96Å; D602-D605 PolarHBondContact OD1-N 3.45Å; D602-D605 VanDerWaalsContact OD1-N 3.13Å; D602-V606 WeakPolarHBondContact O-CG2 3.46Å; D602-V606 PolarHBondContact O-N 2.98Å; D602-R628 IonicContact OD1-CZ 2.74Å; D602-R628 IonicContact OD1-NH2 3.77Å; D602-R628 PolarHBondContact OD1-NH2 3.27Å; D602-R628 IonicContact OD2-CZ 3.58Å; D602-R628 IonicContact OD2-NH1 3.26Å; D602-R628 PolarHBondContact OD2-NH1 2.99Å; D602-R628 IonicContact OD2-NH2 3.3Å; D602-R628 PolarHBondContact OD2-NH2 2.96Å; D602-R631 VanDerWaalsContact CG-NH2 3.3Å; D602-R631 IonicContact OD1-NH2 3.93Å; D602-R631 PolarHBondContact OD1-NH2 3.46Å; D602-R631 IonicContact OD2-CZ 3.82Å; D602-R631 IonicContact OD2-NE 2.74Å; D602-R631 IonicContact OD2-NH2 2.74Å; D602-R631 PolarHBondContact OD2-NH2 2.83Å
603F90.9Very high71.4Confident16 Ų1669.3 Ų69.37%0.0738%0.376CS..Hα-helixtrans-63.8-32.3-179.2-66.6-72000112.8L546 V572 F576 L601 V606 A607 I622 Y625 E626L546-F603 HydrophobicContact CD2-CD1 4.21Å; L546-F603 HydrophobicContact CD2-CE1 4.11Å; V572-F603 HydrophobicContact CG2-CE1 4.12Å; F576-F603 HydrophobicContact CE2-CZ 4.09Å; F576-F603 HydrophobicContact CZ-CE2 4.48Å; F576-F603 HydrophobicContact CZ-CZ 4.16Å; L601-F603 HydrophobicContact CD2-CD1 4.38Å; L601-F603 HydrophobicContact CD2-CE1 3.57Å; L601-F603 HydrophobicContact CD2-CE2 4.03Å; L601-F603 HydrophobicContact CD2-CZ 3.37Å; L601-F603 HydrophobicContact CG-CD1 4.4Å; L601-F603 HydrophobicContact CG-CE1 4.05Å; L601-F603 HydrophobicContact CG-CE2 4.24Å; L601-F603 HydrophobicContact CG-CZ 3.97Å; F603-V606 PolarHBondContact O-N 3.4Å; F603-A607 WeakPolarHBondContact O-CB 3.28Å; F603-A607 PolarHBondContact O-N 2.9Å; F603-I622 HydrophobicContact CB-CG2 4.35Å; F603-I622 HydrophobicContact CD1-CG2 4.02Å; F603-Y625 WeakPolarHBondContact CD2-O 3.39Å; F603-Y625 HydrophobicContact CE1-CG 4.3Å; F603-Y625 WeakPolarHBondContact CE2-O 3.21Å; F603-Y625 HydrophobicContact CZ-CG 4.38Å; F603-E626 HydrophobicContact CB-CB 4.09Å
604A91.4Very high74.2Confident3 Ų361.6 Ų61.63%0.02536%0.364CS..Hα-helixtrans-64.3-42.1176.300000112D602 A607 S608 E626 R631 L635D602-A604 VanDerWaalsContact C-N 3.28Å; D602-A604 PolarHBondContact O-N 3.22Å; D602-A604 WeakPolarHBondContact OD1-CB 3.18Å; D602-A604 PolarHBondContact OD1-N 3.37Å; D602-A604 VanDerWaalsContact OD1-N 3.09Å; A604-A607 PolarHBondContact O-N 3.46Å; A604-S608 WeakPolarHBondContact O-CB 3.12Å; A604-S608 PolarHBondContact O-N 3.29Å; A604-E626 HydrophobicContact CB-CG 4.24Å; A604-E626 PolarHBondContact N-OE2 3.5Å; A604-E626 VanDerWaalsContact N-OE2 3.08Å; A604-R631 HydrophobicContact CB-CB 3.8Å; A604-L635 HydrophobicContact CB-CD1 3.73Å; A604-L635 WeakPolarHBondContact O-CD1 3.25Å
605D90.6Very high76.8Confident58 Ų5853.8 Ų53.831%0.3133%0.333SS..Hα-helixtrans-66.1-42.4177.2-68.7-19.1000111.1T543 D602 S608 Q609 R631T543-D605 HydrophobicContact CG2-CB 4.25Å; D602-D605 HydrophobicContact CB-CB 4.16Å; D602-D605 PolarHBondContact O-N 2.96Å; D602-D605 PolarHBondContact OD1-N 3.45Å; D602-D605 VanDerWaalsContact OD1-N 3.13Å; D605-S608 PolarHBondContact O-N 3.28Å; D605-S608 PolarHBondContact O-OG 2.83Å; D605-Q609 WeakPolarHBondContact O-CG 3.12Å; D605-Q609 PolarHBondContact O-N 3.23Å; D605-Q609 VanDerWaalsContact O-N 3.08Å; D605-R631 VanDerWaalsContact CG-NH2 3.34Å; D605-R631 IonicContact OD1-CZ 2.71Å; D605-R631 IonicContact OD1-NH1 3.65Å; D605-R631 IonicContact OD1-NH2 2.94Å; D605-R631 PolarHBondContact OD1-NH2 2.99Å; D605-R631 IonicContact OD2-NH2 2.64Å; D605-R631 PolarHBondContact OD2-NH2 2.83Å
606V91.3Very high79.7Confident0 Ų053.8 Ų53.80%032%0.322CS..Hα-helixtrans-58.6-49.9173.9176.10000111.3T543 L546 A547 A550 D602 F603 S608 Q609 A610 I622T543-V606 HydrophobicContact CG2-CG2 3.93Å; T543-V606 WeakPolarHBondContact O-CG2 3.37Å; L546-V606 HydrophobicContact CB-CG1 4.31Å; L546-V606 HydrophobicContact CB-CG2 4.15Å; L546-V606 HydrophobicContact CD2-CG1 4.11Å; L546-V606 HydrophobicContact CD2-CG2 4.26Å; L546-V606 HydrophobicContact CG-CG1 3.84Å; L546-V606 HydrophobicContact CG-CG2 4.36Å; A547-V606 HydrophobicContact CB-CG1 4.45Å; A547-V606 HydrophobicContact CB-CG2 4.21Å; A550-V606 HydrophobicContact CB-CG1 4.1Å; D602-V606 WeakPolarHBondContact O-CG2 3.46Å; D602-V606 PolarHBondContact O-N 2.98Å; F603-V606 PolarHBondContact O-N 3.4Å; V606-S608 VanDerWaalsContact C-N 3.29Å; V606-S608 PolarHBondContact O-N 3.45Å; V606-Q609 PolarHBondContact O-N 3.07Å; V606-A610 PolarHBondContact O-N 3Å; V606-I622 HydrophobicContact CB-CG2 4.15Å; V606-I622 HydrophobicContact CG1-CD1 3.69Å; V606-I622 HydrophobicContact CG1-CG2 3.81Å
607A92.9Very high82.4Confident0 Ų051 Ų510%031%0.305CS..Hα-helixtrans-62.5-37.4178.800000111.6F603 A604 Q609 A610 I611 A619 I622 L623 L635F603-A607 WeakPolarHBondContact O-CB 3.28Å; F603-A607 PolarHBondContact O-N 2.9Å; A604-A607 PolarHBondContact O-N 3.46Å; A607-Q609 PolarHBondContact O-N 2.68Å; A607-A610 PolarHBondContact O-N 2.65Å; A607-I611 VanDerWaalsContact O-CG1 3.23Å; A607-I611 WeakPolarHBondContact O-CG1 3.33Å; A607-I611 PolarHBondContact O-N 3.04Å; A607-A619 HydrophobicContact CB-CB 4.41Å; A607-I622 HydrophobicContact CB-CG2 4.46Å; A607-L623 HydrophobicContact CB-CB 4.3Å; A607-L623 HydrophobicContact CB-CD1 4.04Å; A607-L635 HydrophobicContact CB-CD1 4.29Å
608S93.5Very high84.8Confident38 Ų3846.2 Ų46.227%0.26627%0.271SS..Hα-helixtrans-62.7-41.8176.281.30000112.8A604 D605 V606 I611 S612A604-S608 WeakPolarHBondContact O-CB 3.12Å; A604-S608 PolarHBondContact O-N 3.29Å; D605-S608 PolarHBondContact O-N 3.28Å; D605-S608 PolarHBondContact O-OG 2.83Å; V606-S608 VanDerWaalsContact C-N 3.29Å; V606-S608 PolarHBondContact O-N 3.45Å; S608-I611 PolarHBondContact O-N 3.27Å; S608-S612 PolarHBondContact O-N 2.92Å; S608-S612 PolarHBondContact O-OG 2.95Å
609Q90.9Very high86.7Confident88 Ų8844.7 Ų44.741%0.41126%0.264SS..Hα-helixtrans-68.7-40.1177.1-69.5-177.64200111.3A547 D605 V606 A607 I611 S612 A613A547-Q609 HydrophobicContact CB-CB 4.4Å; A547-Q609 VanDerWaalsContact CB-OE1 3.3Å; D605-Q609 WeakPolarHBondContact O-CG 3.12Å; D605-Q609 PolarHBondContact O-N 3.23Å; D605-Q609 VanDerWaalsContact O-N 3.08Å; V606-Q609 PolarHBondContact O-N 3.07Å; A607-Q609 PolarHBondContact O-N 2.68Å; Q609-I611 VanDerWaalsContact C-N 3.33Å; Q609-I611 PolarHBondContact O-N 2.95Å; Q609-S612 PolarHBondContact O-N 3.23Å; Q609-A613 WeakPolarHBondContact O-CB 3.38Å; Q609-A613 PolarHBondContact O-N 2.95Å
610A91.6Very high88.3Confident0 Ų040.7 Ų40.70%024%0.235CC..Hα-helixtrans-61.6-39.9174.100000112.1A550 V606 A607 A613 G614 R615 A619A550-A610 HydrophobicContact CB-CB 3.99Å; V606-A610 PolarHBondContact O-N 3Å; A607-A610 PolarHBondContact O-N 2.65Å; A610-A613 CarbonylContact O-C 3.57Å; A610-A613 PolarHBondContact O-N 3.18Å; A610-G614 PolarHBondContact O-N 3.32Å; A610-R615 HydrophobicContact CB-CB 4.35Å; A610-R615 WeakPolarHBondContact O-CA 3.5Å; A610-R615 WeakPolarHBondContact O-CB 3.46Å; A610-R615 PolarHBondContact O-N 2.91Å; A610-A619 HydrophobicContact CB-CB 3.83Å
611I91.6Very high89.5Confident34 Ų3436.5 Ų36.517%0.17422%0.216CC..Hα-helixtrans-61.3-47.9172.5-68.8163.4000110.5A607 S608 Q609 A613 G614 A619 L635 L639A607-I611 VanDerWaalsContact O-CG1 3.23Å; A607-I611 WeakPolarHBondContact O-CG1 3.33Å; A607-I611 PolarHBondContact O-N 3.04Å; S608-I611 PolarHBondContact O-N 3.27Å; Q609-I611 VanDerWaalsContact C-N 3.33Å; Q609-I611 PolarHBondContact O-N 2.95Å; I611-A613 PolarHBondContact O-N 2.87Å; I611-G614 PolarHBondContact O-N 2.86Å; I611-A619 HydrophobicContact CD1-CB 4.41Å; I611-A619 HydrophobicContact CG1-CB 3.7Å; I611-L635 HydrophobicContact CD1-CB 4.46Å; I611-L635 HydrophobicContact CD1-CD2 4.04Å; I611-L639 HydrophobicContact CD1-CD1 4.19Å; I611-L639 HydrophobicContact CD1-CD2 4.07Å; I611-L639 HydrophobicContact CD1-CG 3.81Å; I611-L639 HydrophobicContact CG1-CD2 3.71Å; I611-L639 HydrophobicContact CG1-CG 4.05Å
612S92.5Very high89.9Confident112 Ų11235.6 Ų35.678%0.78321%0.211SC*.Hα-helixtrans-62.1-29.2177.2-66.40000113.3S608 Q609 G614S608-S612 PolarHBondContact O-N 2.92Å; S608-S612 PolarHBondContact O-OG 2.95Å; Q609-S612 PolarHBondContact O-N 3.23Å; S612-G614 VanDerWaalsContact C-N 3.29Å
613A89.3Confident90.1Very high51 Ų5134.6 Ų34.642%0.42121%0.206SC..THydrogen-bonded Turntrans-83.12.4173.500000113.9C551 Q609 A610 I611 R615C551-A613 HydrophobicContact CB-CB 3.88Å; Q609-A613 WeakPolarHBondContact O-CB 3.38Å; Q609-A613 PolarHBondContact O-N 2.95Å; A610-A613 CarbonylContact O-C 3.57Å; A610-A613 PolarHBondContact O-N 3.18Å; I611-A613 PolarHBondContact O-N 2.87Å; A613-R615 VanDerWaalsContact C-N 3.35Å; A613-R615 HydrophobicContact CB-CG 4.37Å
614G88.2Confident90Very high58 Ų5838.3 Ų38.360%0.59822%0.224SC*.THydrogen-bonded Turntrans75.716.9-179.700000114.8A610 I611 S612 E616A610-G614 PolarHBondContact O-N 3.32Å; I611-G614 PolarHBondContact O-N 2.86Å; S612-G614 VanDerWaalsContact C-N 3.29Å; G614-E616 PolarHBondContact O-N 3.03Å
615R86.6Confident89.9Confident70 Ų7042.1 Ų42.126%0.26424%0.238SC..  trans-98.460-177.9-59.2-61-166153.110.8111.6S553 I555 A610 A613 T617 V618 A619S553-R615 PolarHBondContact O-NH2 3.19Å; I555-R615 PolarHBondContact O-NH1 3.36Å; A610-R615 HydrophobicContact CB-CB 4.35Å; A610-R615 WeakPolarHBondContact O-CA 3.5Å; A610-R615 WeakPolarHBondContact O-CB 3.46Å; A610-R615 PolarHBondContact O-N 2.91Å; A613-R615 VanDerWaalsContact C-N 3.35Å; A613-R615 HydrophobicContact CB-CG 4.37Å; R615-T617 PolarHBondContact O-N 3.4Å; R615-V618 HydrophobicContact CB-CB 4.32Å; R615-V618 PolarHBondContact O-N 3.49Å; R615-A619 WeakPolarHBondContact O-CB 3.47Å; R615-A619 PolarHBondContact O-N 3.17Å
616E88.5Confident89.8Confident98 Ų9839.5 Ų39.546%0.45822%0.224SC..Hα-helixtrans-59.3-41.8-172.8-65.8-172.4178.700114.2G614 A619 E620 L639G614-E616 PolarHBondContact O-N 3.03Å; E616-A619 PolarHBondContact O-N 2.95Å; E616-E620 WeakPolarHBondContact O-CB 3.38Å; E616-E620 PolarHBondContact O-N 2.85Å; E616-L639 HydrophobicContact CB-CD2 3.67Å; E616-L639 HydrophobicContact CG-CD2 3.77Å
617T86.9Confident89.6Confident47 Ų4744.1 Ų44.129%0.28825%0.254SS..Hα-helixtrans-66.3-42.1-178.953.80000112R615 E620 Q621R615-T617 PolarHBondContact O-N 3.4Å; T617-E620 PolarHBondContact O-N 3.21Å; T617-Q621 WeakPolarHBondContact O-CG 3.5Å; T617-Q621 PolarHBondContact O-N 2.93Å; T617-Q621 VanDerWaalsContact O-N 3.15Å
618V87.1Confident89.4Confident1 Ų147.9 Ų47.91%0.00627%0.268CS..Hα-helixtrans-66.2-43175.4-179.80000110.1W549 A550 I555 I564 R615 E620 Q621 I622W549-V618 HydrophobicContact CZ3-CG1 4.05Å; A550-V618 HydrophobicContact CB-CG1 4.07Å; I555-V618 HydrophobicContact CG2-CG2 4.45Å; I564-V618 HydrophobicContact CG2-CG2 3.95Å; R615-V618 HydrophobicContact CB-CB 4.32Å; R615-V618 PolarHBondContact O-N 3.49Å; V618-E620 VanDerWaalsContact C-N 3.32Å; V618-E620 PolarHBondContact O-N 3.13Å; V618-Q621 PolarHBondContact O-N 2.96Å; V618-I622 HydrophobicContact CG1-CD1 3.7Å; V618-I622 HydrophobicContact CG1-CG1 4.32Å; V618-I622 VanDerWaalsContact O-CG1 3.31Å; V618-I622 WeakPolarHBondContact O-CG1 3.4Å; V618-I622 PolarHBondContact O-N 3.36Å
619A91Very high89.3Confident0 Ų046.7 Ų46.70%026%0.26CS..Hα-helixtrans-58.9-43.5175.600000111.7A607 A610 I611 R615 E616 Q621 I622 L623 L639A607-A619 HydrophobicContact CB-CB 4.41Å; A610-A619 HydrophobicContact CB-CB 3.83Å; I611-A619 HydrophobicContact CD1-CB 4.41Å; I611-A619 HydrophobicContact CG1-CB 3.7Å; R615-A619 WeakPolarHBondContact O-CB 3.47Å; R615-A619 PolarHBondContact O-N 3.17Å; E616-A619 PolarHBondContact O-N 2.95Å; A619-Q621 PolarHBondContact O-N 3.41Å; A619-I622 PolarHBondContact O-N 3.16Å; A619-L623 WeakPolarHBondContact O-CB 3.36Å; A619-L623 PolarHBondContact O-N 2.69Å; A619-L639 HydrophobicContact CB-CD1 4.39Å; A619-L639 HydrophobicContact CB-CD2 4.49Å
620E89.2Confident89.3Confident25 Ų2549.9 Ų49.912%0.11727%0.269CS..Hα-helixtrans-59.8-45.2177.2-175.3167.4-168.700111.8E616 T617 V618 L623 L639 R641 R644E616-E620 WeakPolarHBondContact O-CB 3.38Å; E616-E620 PolarHBondContact O-N 2.85Å; T617-E620 PolarHBondContact O-N 3.21Å; V618-E620 VanDerWaalsContact C-N 3.32Å; V618-E620 PolarHBondContact O-N 3.13Å; E620-L623 PolarHBondContact O-N 3.42Å; E620-L639 HydrophobicContact CB-CD1 4.24Å; E620-R641 IonicContact OE1-NE 2.62Å; E620-R641 PolarHBondContact OE1-NE 3.39Å; E620-R641 IonicContact OE2-CZ 2.81Å; E620-R641 IonicContact OE2-NE 2.91Å; E620-R641 PolarHBondContact OE2-NE 2.85Å; E620-R641 IonicContact OE2-NH2 2.71Å; E620-R641 PolarHBondContact OE2-NH2 3.34Å; E620-R644 IonicContact OE1-CZ 2.69Å; E620-R644 IonicContact OE1-NH1 3.89Å; E620-R644 PolarHBondContact OE1-NH1 2.92Å
621Q88.5Confident89.3Confident25 Ų2553.2 Ų53.212%0.11728%0.281CS..Hα-helixtrans-68.1-39.7178.4-64.9-54.8-50.300113I564 V568 T617 V618 A619 L623 E624 Y625I564-Q621 HydrophobicContact CB-CG 4.48Å; I564-Q621 HydrophobicContact CG2-CB 4.46Å; I564-Q621 HydrophobicContact CG2-CG 4.11Å; V568-Q621 HydrophobicContact CG2-CB 4.34Å; T617-Q621 WeakPolarHBondContact O-CG 3.5Å; T617-Q621 PolarHBondContact O-N 2.93Å; T617-Q621 VanDerWaalsContact O-N 3.15Å; V618-Q621 PolarHBondContact O-N 2.96Å; A619-Q621 PolarHBondContact O-N 3.41Å; Q621-L623 VanDerWaalsContact C-N 3.3Å; Q621-L623 PolarHBondContact O-N 2.98Å; Q621-E624 PolarHBondContact O-N 3.32Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.22Å
622I88.9Confident89.3Confident1 Ų152.4 Ų52.41%0.00528%0.277CS..Hα-helixtrans-66.6-36.9176.9-69.5174.2000110.7W549 A550 V568 F603 V606 A607 V618 A619 E624 Y625W549-I622 HydrophobicContact CZ3-CD1 4.4Å; A550-I622 HydrophobicContact CB-CD1 3.62Å; V568-I622 HydrophobicContact CG1-CG1 4Å; V568-I622 HydrophobicContact CG2-CG1 4.22Å; F603-I622 HydrophobicContact CB-CG2 4.35Å; F603-I622 HydrophobicContact CD1-CG2 4.02Å; V606-I622 HydrophobicContact CB-CG2 4.15Å; V606-I622 HydrophobicContact CG1-CD1 3.69Å; V606-I622 HydrophobicContact CG1-CG2 3.81Å; A607-I622 HydrophobicContact CB-CG2 4.46Å; V618-I622 HydrophobicContact CG1-CD1 3.7Å; V618-I622 HydrophobicContact CG1-CG1 4.32Å; V618-I622 VanDerWaalsContact O-CG1 3.31Å; V618-I622 WeakPolarHBondContact O-CG1 3.4Å; V618-I622 PolarHBondContact O-N 3.36Å; A619-I622 PolarHBondContact O-N 3.16Å; I622-E624 PolarHBondContact O-N 3.02Å; I622-Y625 PolarHBondContact O-N 3.31Å; I622-Y625 VanDerWaalsContact O-N 3.1Å
623L90.7Very high89.3Confident2 Ų247.1 Ų47.11%0.0124%0.239CC..Hα-helixtrans-66.8-19.5-177.4-166.664.7000113.1A607 A619 E620 Q621 Y625 E626 Q632 L635 L636 L639A607-L623 HydrophobicContact CB-CB 4.3Å; A607-L623 HydrophobicContact CB-CD1 4.04Å; A619-L623 WeakPolarHBondContact O-CB 3.36Å; A619-L623 PolarHBondContact O-N 2.69Å; E620-L623 PolarHBondContact O-N 3.42Å; Q621-L623 VanDerWaalsContact C-N 3.3Å; Q621-L623 PolarHBondContact O-N 2.98Å; L623-Y625 PolarHBondContact O-N 3.03Å; L623-E626 HydrophobicContact CD1-CB 4.16Å; L623-E626 WeakPolarHBondContact O-CB 3.31Å; L623-E626 PolarHBondContact O-N 3.45Å; L623-Q632 HydrophobicContact CD1-CB 4.42Å; L623-Q632 HydrophobicContact CD1-CG 4.28Å; L623-Q632 HydrophobicContact CD2-CG 4.21Å; L623-Q632 HydrophobicContact CG-CG 3.93Å; L623-Q632 PolarHBondContact O-NE2 3.16Å; L623-L635 HydrophobicContact CD1-CB 4.05Å; L623-L635 HydrophobicContact CD1-CD1 3.61Å; L623-L635 HydrophobicContact CD1-CG 4.48Å; L623-L635 HydrophobicContact CD2-CB 3.79Å; L623-L636 HydrophobicContact CD2-CD2 3.73Å; L623-L636 HydrophobicContact CD2-CG 3.72Å; L623-L639 HydrophobicContact CD2-CD1 4.44Å
624E89Confident89.4Confident94 Ų9447.3 Ų47.344%0.43924%0.236SC..THydrogen-bonded Turntrans-65.4-23.9173.4-63.6-172.7170.700112.7Q621 I622 E626 R644Q621-E624 PolarHBondContact O-N 3.32Å; I622-E624 PolarHBondContact O-N 3.02Å; E624-E626 VanDerWaalsContact C-N 3.33Å; E624-R644 IonicContact OE1-CZ 2.8Å; E624-R644 IonicContact OE1-NH1 3.49Å; E624-R644 PolarHBondContact OE1-NH1 2.85Å; E624-R644 IonicContact OE1-NH2 3.58Å; E624-R644 PolarHBondContact OE1-NH2 3.26Å
625Y88.5Confident89.6Confident83 Ų8345.1 Ų45.133%0.32521%0.211SC..THydrogen-bonded Turntrans-84.9-3.7176.4-63.3-89.3000113.3V568 A569 V572 F603 Q621 I622 L623 P627V568-Y625 HydrophobicContact CG1-CD2 4.16Å; V568-Y625 HydrophobicContact CG1-CE2 3.65Å; A569-Y625 VanDerWaalsContact CA-OH 3.24Å; A569-Y625 WeakPolarHBondContact CA-OH 3.26Å; A569-Y625 VanDerWaalsContact CB-OH 3.27Å; A569-Y625 WeakPolarHBondContact CB-OH 3.27Å; V572-Y625 HydrophobicContact CB-CE1 4.29Å; V572-Y625 HydrophobicContact CG1-CD1 3.82Å; V572-Y625 HydrophobicContact CG1-CE1 3.73Å; V572-Y625 HydrophobicContact CG2-CD1 4.37Å; V572-Y625 HydrophobicContact CG2-CD2 4.46Å; V572-Y625 HydrophobicContact CG2-CE1 4.32Å; V572-Y625 HydrophobicContact CG2-CE2 4.44Å; V572-Y625 HydrophobicContact CG2-CG 4.44Å; F603-Y625 WeakPolarHBondContact CD2-O 3.39Å; F603-Y625 HydrophobicContact CE1-CG 4.3Å; F603-Y625 WeakPolarHBondContact CE2-O 3.21Å; F603-Y625 HydrophobicContact CZ-CG 4.38Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.22Å; I622-Y625 PolarHBondContact O-N 3.31Å; I622-Y625 VanDerWaalsContact O-N 3.1Å; L623-Y625 PolarHBondContact O-N 3.03Å; Y625-P627 WeakPolarHBondContact O-CD 3.4Å
626E89.3Confident89.8Confident2 Ų242.1 Ų42.11%0.00920%0.2CC..  trans-80.3109.4178.5179.851.1-113.200111.3F603 A604 L623 E624 R628 R631 Q632F603-E626 HydrophobicContact CB-CB 4.09Å; A604-E626 HydrophobicContact CB-CG 4.24Å; A604-E626 PolarHBondContact N-OE2 3.5Å; A604-E626 VanDerWaalsContact N-OE2 3.08Å; L623-E626 HydrophobicContact CD1-CB 4.16Å; L623-E626 WeakPolarHBondContact O-CB 3.31Å; L623-E626 PolarHBondContact O-N 3.45Å; E624-E626 VanDerWaalsContact C-N 3.33Å; E626-R628 VanDerWaalsContact C-N 3.34Å; E626-R628 VanDerWaalsContact CD-NH2 3.3Å; E626-R628 PolarHBondContact O-N 2.71Å; E626-R628 WeakPolarHBondContact OE1-CB 3.37Å; E626-R628 IonicContact OE1-CZ 3.76Å; E626-R628 PolarHBondContact OE1-N 2.9Å; E626-R628 IonicContact OE1-NE 2.74Å; E626-R628 PolarHBondContact OE1-NE 3.4Å; E626-R628 IonicContact OE1-NH2 3.26Å; E626-R628 PolarHBondContact OE1-NH2 2.88Å; E626-R628 IonicContact OE2-CZ 3.5Å; E626-R628 IonicContact OE2-NE 2.88Å; E626-R628 IonicContact OE2-NH2 2.74Å; E626-R628 PolarHBondContact OE2-NH2 3.38Å; E626-R631 HydrophobicContact CG-CB 4.33Å; E626-Q632 HydrophobicContact CG-CB 4.17Å
627P86.4Confident89.9Confident97 Ų9738.5 Ų38.563%0.6318%0.184SC*.  trans-71.3-28.5-179.728.5-36.3000113Y625 A629Y625-P627 WeakPolarHBondContact O-CD 3.4Å; P627-A629 PolarHBondContact O-N 3.23Å; P627-A629 VanDerWaalsContact O-N 3.17Å
628R89.9Confident90Very high80 Ų8043.2 Ų43.230%0.30220%0.2SC..  trans-81.998.1-173.7-63.2161-68.5173.67.4110D602 E626 W630 R631 Q632D602-R628 IonicContact OD1-CZ 2.74Å; D602-R628 IonicContact OD1-NH2 3.77Å; D602-R628 PolarHBondContact OD1-NH2 3.27Å; D602-R628 IonicContact OD2-CZ 3.58Å; D602-R628 IonicContact OD2-NH1 3.26Å; D602-R628 PolarHBondContact OD2-NH1 2.99Å; D602-R628 IonicContact OD2-NH2 3.3Å; D602-R628 PolarHBondContact OD2-NH2 2.96Å; E626-R628 VanDerWaalsContact C-N 3.34Å; E626-R628 VanDerWaalsContact CD-NH2 3.3Å; E626-R628 PolarHBondContact O-N 2.71Å; E626-R628 WeakPolarHBondContact OE1-CB 3.37Å; E626-R628 IonicContact OE1-CZ 3.76Å; E626-R628 PolarHBondContact OE1-N 2.9Å; E626-R628 IonicContact OE1-NE 2.74Å; E626-R628 PolarHBondContact OE1-NE 3.4Å; E626-R628 IonicContact OE1-NH2 3.26Å; E626-R628 PolarHBondContact OE1-NH2 2.88Å; E626-R628 IonicContact OE2-CZ 3.5Å; E626-R628 IonicContact OE2-NE 2.88Å; E626-R628 IonicContact OE2-NH2 2.74Å; E626-R628 PolarHBondContact OE2-NH2 3.38Å; R628-W630 PolarHBondContact O-N 2.99Å; R628-W630 VanDerWaalsContact O-N 3.13Å; R628-R631 HydrophobicContact CB-CB 4.21Å; R628-R631 HydrophobicContact CB-CG 4.11Å; R628-R631 PolarHBondContact O-N 3.47Å; R628-Q632 PolarHBondContact O-N 2.87Å
629A90.2Very high90.1Very high12 Ų1243.2 Ų43.210%0.09920%0.2CC..Hα-helixtrans-54.4-34.9-179.800000113.9P627 R631 Q632 V633 R648 T652 L657P627-A629 PolarHBondContact O-N 3.23Å; P627-A629 VanDerWaalsContact O-N 3.17Å; A629-R631 VanDerWaalsContact C-N 3.28Å; A629-R631 PolarHBondContact O-N 2.81Å; A629-Q632 PolarHBondContact O-N 2.99Å; A629-V633 WeakPolarHBondContact O-CB 3.22Å; A629-V633 WeakPolarHBondContact O-CG2 3.29Å; A629-V633 PolarHBondContact O-N 3.46Å; A629-R648 HydrophobicContact CB-CG 4.3Å; A629-T652 HydrophobicContact CB-CG2 3.14Å; A629-L657 HydrophobicContact CB-CD2 4.19Å
630W91.3Very high89.9Confident156 Ų15646 Ų4659%0.59122%0.22SC*.Hα-helixtrans-69.1-20.7177.664.4-90.1000114.5R628 P634 L657R628-W630 PolarHBondContact O-N 2.99Å; R628-W630 VanDerWaalsContact O-N 3.13Å; W630-P634 WeakPolarHBondContact O-CD 3.23Å; W630-P634 VanDerWaalsContact O-CG 3.31Å; W630-P634 WeakPolarHBondContact O-CG 3.23Å; W630-L657 HydrophobicContact CB-CD1 3.78Å
631R91.6Very high89.9Confident70 Ų7048.7 Ų48.726%0.26423%0.229SC..Hα-helixtrans-88.4-34.5169.7-66.8-86.1-89.7176.5-1111D602 A604 D605 E626 R628 A629 L635D602-R631 VanDerWaalsContact CG-NH2 3.3Å; D602-R631 IonicContact OD1-NH2 3.93Å; D602-R631 PolarHBondContact OD1-NH2 3.46Å; D602-R631 IonicContact OD2-CZ 3.82Å; D602-R631 IonicContact OD2-NE 2.74Å; D602-R631 IonicContact OD2-NH2 2.74Å; D602-R631 PolarHBondContact OD2-NH2 2.83Å; A604-R631 HydrophobicContact CB-CB 3.8Å; D605-R631 VanDerWaalsContact CG-NH2 3.34Å; D605-R631 IonicContact OD1-CZ 2.71Å; D605-R631 IonicContact OD1-NH1 3.65Å; D605-R631 IonicContact OD1-NH2 2.94Å; D605-R631 PolarHBondContact OD1-NH2 2.99Å; D605-R631 IonicContact OD2-NH2 2.64Å; D605-R631 PolarHBondContact OD2-NH2 2.83Å; E626-R631 HydrophobicContact CG-CB 4.33Å; R628-R631 HydrophobicContact CB-CB 4.21Å; R628-R631 HydrophobicContact CB-CG 4.11Å; R628-R631 PolarHBondContact O-N 3.47Å; A629-R631 VanDerWaalsContact C-N 3.28Å; A629-R631 PolarHBondContact O-N 2.81Å; R631-L635 WeakPolarHBondContact O-CG 3.37Å
632Q92.5Very high89.7Confident17 Ų1748.2 Ų48.28%0.07923%0.226CC..Hα-helixtrans-71-47.4-178.4178.8172.151.600113.4L623 E626 R628 A629 L635 L636 R648L623-Q632 HydrophobicContact CD1-CB 4.42Å; L623-Q632 HydrophobicContact CD1-CG 4.28Å; L623-Q632 HydrophobicContact CD2-CG 4.21Å; L623-Q632 HydrophobicContact CG-CG 3.93Å; L623-Q632 PolarHBondContact O-NE2 3.16Å; E626-Q632 HydrophobicContact CG-CB 4.17Å; R628-Q632 PolarHBondContact O-N 2.87Å; A629-Q632 PolarHBondContact O-N 2.99Å; Q632-L635 PolarHBondContact O-N 3.49Å; Q632-L635 VanDerWaalsContact O-N 3.15Å; Q632-L636 HydrophobicContact CG-CD1 3.91Å; Q632-L636 HydrophobicContact CG-CG 4.29Å; Q632-L636 PolarHBondContact O-N 3.15Å; Q632-R648 VanDerWaalsContact OE1-CG 3.29Å
633V92.1Very high89.5Confident0 Ų051.7 Ų51.70%024%0.244CC..Hα-helixtrans-60-47.4-175165.80000112.7A629 L635 L636 L637 A645 R648 A649 L657 V661A629-V633 WeakPolarHBondContact O-CB 3.22Å; A629-V633 WeakPolarHBondContact O-CG2 3.29Å; A629-V633 PolarHBondContact O-N 3.46Å; V633-L635 VanDerWaalsContact C-N 3.26Å; V633-L635 PolarHBondContact O-N 2.91Å; V633-L636 PolarHBondContact O-N 2.88Å; V633-L637 HydrophobicContact CG1-CD1 4.34Å; V633-L637 WeakPolarHBondContact O-CG 3.14Å; V633-L637 PolarHBondContact O-N 2.78Å; V633-A645 HydrophobicContact CG1-CB 4.48Å; V633-R648 HydrophobicContact CG2-CB 4.16Å; V633-R648 HydrophobicContact CG2-CG 4.1Å; V633-A649 HydrophobicContact CG2-CB 4.25Å; V633-L657 HydrophobicContact CB-CD2 4.03Å; V633-L657 HydrophobicContact CB-CG 4.28Å; V633-L657 HydrophobicContact CG1-CD2 4.48Å; V633-L657 HydrophobicContact CG1-CG 4.3Å; V633-L657 HydrophobicContact CG2-CD2 3.62Å; V633-L657 HydrophobicContact CG2-CG 4.32Å; V633-V661 HydrophobicContact CG1-CG2 3.33Å
634P91.9Very high89.3Confident55 Ų5556.1 Ų56.136%0.35726%0.261SS..Hα-helixtrans-58.8-34.5175.3-26.836000114W630 K638W630-P634 WeakPolarHBondContact O-CD 3.23Å; W630-P634 VanDerWaalsContact O-CG 3.31Å; W630-P634 WeakPolarHBondContact O-CG 3.23Å; P634-K638 PolarHBondContact O-N 3.33Å; P634-K638 VanDerWaalsContact O-N 3.13Å
635L91.4Very high89.4Confident13 Ų1351.6 Ų51.67%0.06824%0.24CC..Hα-helixtrans-74.7-37.2178-66.3172.1000112A604 A607 I611 L623 R631 Q632 V633 L637 K638 L639A604-L635 HydrophobicContact CB-CD1 3.73Å; A604-L635 WeakPolarHBondContact O-CD1 3.25Å; A607-L635 HydrophobicContact CB-CD1 4.29Å; I611-L635 HydrophobicContact CD1-CB 4.46Å; I611-L635 HydrophobicContact CD1-CD2 4.04Å; L623-L635 HydrophobicContact CD1-CB 4.05Å; L623-L635 HydrophobicContact CD1-CD1 3.61Å; L623-L635 HydrophobicContact CD1-CG 4.48Å; L623-L635 HydrophobicContact CD2-CB 3.79Å; R631-L635 WeakPolarHBondContact O-CG 3.37Å; Q632-L635 PolarHBondContact O-N 3.49Å; Q632-L635 VanDerWaalsContact O-N 3.15Å; V633-L635 VanDerWaalsContact C-N 3.26Å; V633-L635 PolarHBondContact O-N 2.91Å; L635-L637 VanDerWaalsContact C-N 3.3Å; L635-L637 PolarHBondContact O-N 3.24Å; L635-K638 HydrophobicContact CD2-CD 4.35Å; L635-K638 WeakPolarHBondContact O-CB 3.21Å; L635-K638 PolarHBondContact O-N 3.49Å; L635-L639 PolarHBondContact O-N 3.07Å
636L91.8Very high89.4Confident7 Ų747.7 Ų47.74%0.03723%0.225CC..Hα-helixtrans-62.5-37.2171.5-71.8172000112L623 Q632 V633 L639 S640 R641 R644 A645L623-L636 HydrophobicContact CD2-CD2 3.73Å; L623-L636 HydrophobicContact CD2-CG 3.72Å; Q632-L636 HydrophobicContact CG-CD1 3.91Å; Q632-L636 HydrophobicContact CG-CG 4.29Å; Q632-L636 PolarHBondContact O-N 3.15Å; V633-L636 PolarHBondContact O-N 2.88Å; L636-L639 CarbonylContact O-C 3.55Å; L636-L639 PolarHBondContact O-N 3.31Å; L636-S640 PolarHBondContact O-N 3.49Å; L636-R641 HydrophobicContact CB-CB 4.49Å; L636-R641 HydrophobicContact CD2-CB 4.12Å; L636-R641 PolarHBondContact O-N 3.28Å; L636-R644 HydrophobicContact CD1-CB 4.28Å; L636-R644 HydrophobicContact CD2-CB 4.39Å; L636-A645 HydrophobicContact CB-CB 3.81Å; L636-A645 HydrophobicContact CD1-CB 4.41Å
637L90Very high89.4Confident21 Ų2149.8 Ų49.811%0.1124%0.238CC..Hα-helixtrans-65-39.9173.7-69.3174.7000111.9V633 L635 L639 S640 Y642 A645 V661 A664V633-L637 HydrophobicContact CG1-CD1 4.34Å; V633-L637 WeakPolarHBondContact O-CG 3.14Å; V633-L637 PolarHBondContact O-N 2.78Å; L635-L637 VanDerWaalsContact C-N 3.3Å; L635-L637 PolarHBondContact O-N 3.24Å; L637-L639 VanDerWaalsContact C-N 3.34Å; L637-S640 PolarHBondContact O-N 2.74Å; L637-Y642 HydrophobicContact CD2-CD1 3.91Å; L637-Y642 HydrophobicContact CD2-CE1 4.38Å; L637-A645 HydrophobicContact CD2-CB 3.93Å; L637-A645 HydrophobicContact CG-CB 4.16Å; L637-V661 HydrophobicContact CD1-CG2 4.43Å; L637-V661 HydrophobicContact CD2-CG1 4.27Å; L637-A664 HydrophobicContact CD1-CB 3.96Å; L637-A664 HydrophobicContact CD2-CB 4.06Å
638K89Confident89.5Confident146 Ų14648.6 Ų48.664%0.63522%0.221SC*.Hα-helixtrans-62.9-38.3172.9-75.1179.5177.6-179.80112.5P634 L635 S640P634-K638 PolarHBondContact O-N 3.33Å; P634-K638 VanDerWaalsContact O-N 3.13Å; L635-K638 HydrophobicContact CD2-CD 4.35Å; L635-K638 WeakPolarHBondContact O-CB 3.21Å; L635-K638 PolarHBondContact O-N 3.49Å; K638-S640 PolarHBondContact O-N 3.47Å
639L88.4Confident89.6Confident1 Ų144.8 Ų44.81%0.00521%0.206CC..THydrogen-bonded Turntrans-77.15175.7-72.9172.5000114.4I611 E616 A619 E620 L623 L635 L636 L637 R641I611-L639 HydrophobicContact CD1-CD1 4.19Å; I611-L639 HydrophobicContact CD1-CD2 4.07Å; I611-L639 HydrophobicContact CD1-CG 3.81Å; I611-L639 HydrophobicContact CG1-CD2 3.71Å; I611-L639 HydrophobicContact CG1-CG 4.05Å; E616-L639 HydrophobicContact CB-CD2 3.67Å; E616-L639 HydrophobicContact CG-CD2 3.77Å; A619-L639 HydrophobicContact CB-CD1 4.39Å; A619-L639 HydrophobicContact CB-CD2 4.49Å; E620-L639 HydrophobicContact CB-CD1 4.24Å; L623-L639 HydrophobicContact CD2-CD1 4.44Å; L635-L639 PolarHBondContact O-N 3.07Å; L636-L639 CarbonylContact O-C 3.55Å; L636-L639 PolarHBondContact O-N 3.31Å; L637-L639 VanDerWaalsContact C-N 3.34Å; L639-R641 HydrophobicContact CB-CG 4.08Å; L639-R641 PolarHBondContact O-N 3.03Å; L639-R641 PolarHBondContact O-NH1 2.84Å; L639-R641 VanDerWaalsContact O-NH1 3.12Å
640S87.5Confident89.6Confident59 Ų5945.6 Ų45.641%0.41321%0.21SC..THydrogen-bonded Turntrans57.929-176.2-57.20000114.9L636 L637 K638 Y642L636-S640 PolarHBondContact O-N 3.49Å; L637-S640 PolarHBondContact O-N 2.74Å; K638-S640 PolarHBondContact O-N 3.47Å; S640-Y642 VanDerWaalsContact CA-CZ 3.5Å; S640-Y642 VanDerWaalsContact CA-OH 3.29Å; S640-Y642 WeakPolarHBondContact CA-OH 3.36Å; S640-Y642 WeakPolarHBondContact CB-OH 3.4Å; S640-Y642 WeakPolarHBondContact O-CE2 3.36Å; S640-Y642 PolarHBondContact O-N 3.46Å; S640-Y642 PolarHBondContact OG-OH 3.25Å
641R88.2Confident89.5Confident81 Ų8144 Ų4431%0.30621%0.209SC..  trans-97.257.8178.6-61.4-62.3-173.9-94.6-3.5111.7E620 L636 L639 N643 R644 A645E620-R641 IonicContact OE1-NE 2.62Å; E620-R641 PolarHBondContact OE1-NE 3.39Å; E620-R641 IonicContact OE2-CZ 2.81Å; E620-R641 IonicContact OE2-NE 2.91Å; E620-R641 PolarHBondContact OE2-NE 2.85Å; E620-R641 IonicContact OE2-NH2 2.71Å; E620-R641 PolarHBondContact OE2-NH2 3.34Å; L636-R641 HydrophobicContact CB-CB 4.49Å; L636-R641 HydrophobicContact CD2-CB 4.12Å; L636-R641 PolarHBondContact O-N 3.28Å; L639-R641 HydrophobicContact CB-CG 4.08Å; L639-R641 PolarHBondContact O-N 3.03Å; L639-R641 PolarHBondContact O-NH1 2.84Å; L639-R641 VanDerWaalsContact O-NH1 3.12Å; R641-N643 PolarHBondContact O-N 2.71Å; R641-R644 HydrophobicContact CB-CB 4.31Å; R641-R644 PolarHBondContact O-N 3.44Å; R641-A645 PolarHBondContact O-N 3.41Å
642Y85.5Confident89.4Confident16 Ų1643.5 Ų43.56%0.06321%0.214CC..Hα-helixtrans-58.6-41.4-169.8-49-71.4000114.5L637 S640 R644 A645 L646 L665 K670 L671L637-Y642 HydrophobicContact CD2-CD1 3.91Å; L637-Y642 HydrophobicContact CD2-CE1 4.38Å; S640-Y642 VanDerWaalsContact CA-CZ 3.5Å; S640-Y642 VanDerWaalsContact CA-OH 3.29Å; S640-Y642 WeakPolarHBondContact CA-OH 3.36Å; S640-Y642 WeakPolarHBondContact CB-OH 3.4Å; S640-Y642 WeakPolarHBondContact O-CE2 3.36Å; S640-Y642 PolarHBondContact O-N 3.46Å; S640-Y642 PolarHBondContact OG-OH 3.25Å; Y642-R644 PolarHBondContact O-N 3.16Å; Y642-A645 PolarHBondContact O-N 3.07Å; Y642-L646 PolarHBondContact O-N 2.88Å; Y642-L665 HydrophobicContact CD1-CD2 4.01Å; Y642-L665 HydrophobicContact CG-CD2 3.87Å; Y642-K670 HydrophobicContact CD2-CB 4.46Å; Y642-K670 HydrophobicContact CE1-CB 4.26Å; Y642-K670 HydrophobicContact CE1-CD 3.76Å; Y642-K670 HydrophobicContact CE2-CB 3.75Å; Y642-K670 HydrophobicContact CE2-CD 4.29Å; Y642-K670 HydrophobicContact CE2-CG 4.22Å; Y642-K670 WeakPolarHBondContact OH-CD 3.27Å; Y642-K670 WeakPolarHBondContact OH-CE 3.46Å; Y642-K670 WeakPolarHBondContact OH-CG 3.24Å; Y642-K670 PolarHBondContact OH-NZ 3.4Å; Y642-L671 HydrophobicContact CD2-CD1 4.28Å; Y642-L671 HydrophobicContact CD2-CG 4.15Å; Y642-L671 HydrophobicContact CG-CD1 4.38Å
643N84.4Confident89.1Confident73 Ų7345.1 Ų45.139%0.3924%0.235SC..Hα-helixtrans-61.2-47178.6-172.1-0.5000111R641 A645 L646 V647R641-N643 PolarHBondContact O-N 2.71Å; N643-A645 VanDerWaalsContact C-N 3.35Å; N643-A645 PolarHBondContact O-N 2.91Å; N643-L646 PolarHBondContact O-N 3.16Å; N643-V647 VanDerWaalsContact O-CG2 3.29Å; N643-V647 WeakPolarHBondContact O-CG2 3.46Å; N643-V647 PolarHBondContact O-N 3.32Å
644R87.1Confident88.9Confident95 Ų9548 Ų4836%0.35825%0.251SS..Hα-helixtrans-63.1-41.1176-62.7-174.270.4169.56.2111.7E620 E624 L636 R641 Y642 L646 R648E620-R644 IonicContact OE1-CZ 2.69Å; E620-R644 IonicContact OE1-NH1 3.89Å; E620-R644 PolarHBondContact OE1-NH1 2.92Å; E624-R644 IonicContact OE1-CZ 2.8Å; E624-R644 IonicContact OE1-NH1 3.49Å; E624-R644 PolarHBondContact OE1-NH1 2.85Å; E624-R644 IonicContact OE1-NH2 3.58Å; E624-R644 PolarHBondContact OE1-NH2 3.26Å; L636-R644 HydrophobicContact CD1-CB 4.28Å; L636-R644 HydrophobicContact CD2-CB 4.39Å; R641-R644 HydrophobicContact CB-CB 4.31Å; R641-R644 PolarHBondContact O-N 3.44Å; Y642-R644 PolarHBondContact O-N 3.16Å; R644-L646 VanDerWaalsContact C-N 3.34Å; R644-L646 PolarHBondContact O-N 3.31Å; R644-R648 VanDerWaalsContact O-CB 3.3Å; R644-R648 WeakPolarHBondContact O-CB 3.36Å; R644-R648 PolarHBondContact O-N 2.85Å
645A89.8Confident88.7Confident0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-61-42.8177.200000111.7V633 L636 L637 R641 Y642 N643 A649 V661V633-A645 HydrophobicContact CG1-CB 4.48Å; L636-A645 HydrophobicContact CB-CB 3.81Å; L636-A645 HydrophobicContact CD1-CB 4.41Å; L637-A645 HydrophobicContact CD2-CB 3.93Å; L637-A645 HydrophobicContact CG-CB 4.16Å; R641-A645 PolarHBondContact O-N 3.41Å; Y642-A645 PolarHBondContact O-N 3.07Å; N643-A645 VanDerWaalsContact C-N 3.35Å; N643-A645 PolarHBondContact O-N 2.91Å; A645-A649 WeakPolarHBondContact O-CB 3.25Å; A645-A649 PolarHBondContact O-N 3.16Å; A645-V661 HydrophobicContact CB-CG1 4.37Å; A645-V661 HydrophobicContact CB-CG2 4.37Å
646L88.5Confident88.5Confident0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-68.7-48.4179-171.768.7000111.8Y642 N643 R644 R648 A649 V650 V661 V679 L680 A686Y642-L646 PolarHBondContact O-N 2.88Å; N643-L646 PolarHBondContact O-N 3.16Å; R644-L646 VanDerWaalsContact C-N 3.34Å; R644-L646 PolarHBondContact O-N 3.31Å; L646-R648 VanDerWaalsContact C-N 3.25Å; L646-R648 PolarHBondContact O-N 3.29Å; L646-A649 PolarHBondContact O-N 3.42Å; L646-A649 VanDerWaalsContact O-N 3.15Å; L646-V650 HydrophobicContact CD1-CG2 4.38Å; L646-V650 HydrophobicContact CG-CG2 4.29Å; L646-V650 WeakPolarHBondContact O-CB 3.3Å; L646-V650 VanDerWaalsContact O-CG2 3.25Å; L646-V650 WeakPolarHBondContact O-CG2 3.41Å; L646-V650 PolarHBondContact O-N 3.49Å; L646-V661 HydrophobicContact CB-CG1 3.94Å; L646-V661 HydrophobicContact CD1-CB 4.22Å; L646-V661 HydrophobicContact CD1-CG1 3.8Å; L646-V679 HydrophobicContact CD2-CG1 3.43Å; L646-V679 VanDerWaalsContact CD2-CG1 3.43Å; L646-L680 HydrophobicContact CD2-CD2 4.39Å; L646-A686 HydrophobicContact CD1-CB 3.83Å; L646-A686 HydrophobicContact CD2-CB 4.22Å; L646-A686 HydrophobicContact CG-CB 4.38Å
647V89.4Confident88.4Confident47 Ų4755.8 Ų55.829%0.28529%0.289SS..Hα-helixtrans-54-48.5176.7171.90000109.7N643 A649 V650 E651N643-V647 VanDerWaalsContact O-CG2 3.29Å; N643-V647 WeakPolarHBondContact O-CG2 3.46Å; N643-V647 PolarHBondContact O-N 3.32Å; V647-A649 PolarHBondContact O-N 2.92Å; V647-V650 PolarHBondContact O-N 3.28Å; V647-E651 WeakPolarHBondContact O-CG 3.44Å; V647-E651 PolarHBondContact O-N 3.03Å
648R89.1Confident88.4Confident72 Ų7254.8 Ų54.827%0.27228%0.284SS..Hα-helixtrans-64.9-39.8-180-171.456.2168.8167.11112.8A629 Q632 V633 R644 L646 E651 T652A629-R648 HydrophobicContact CB-CG 4.3Å; Q632-R648 VanDerWaalsContact OE1-CG 3.29Å; V633-R648 HydrophobicContact CG2-CB 4.16Å; V633-R648 HydrophobicContact CG2-CG 4.1Å; R644-R648 VanDerWaalsContact O-CB 3.3Å; R644-R648 WeakPolarHBondContact O-CB 3.36Å; R644-R648 PolarHBondContact O-N 2.85Å; L646-R648 VanDerWaalsContact C-N 3.25Å; L646-R648 PolarHBondContact O-N 3.29Å; R648-E651 WeakPolarHBondContact CD-OE2 3.37Å; R648-E651 IonicContact CZ-OE2 2.7Å; R648-E651 IonicContact NH1-OE2 3.61Å; R648-E651 PolarHBondContact NH1-OE2 3.14Å; R648-E651 PolarHBondContact O-N 2.89Å; R648-T652 WeakPolarHBondContact O-CG2 3.32Å; R648-T652 PolarHBondContact O-N 3.27Å
649A91.3Very high88.3Confident0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-65.3-41.2176.400000112V633 A645 L646 V647 E651 T652 L657 I658 V661V633-A649 HydrophobicContact CG2-CB 4.25Å; A645-A649 WeakPolarHBondContact O-CB 3.25Å; A645-A649 PolarHBondContact O-N 3.16Å; L646-A649 PolarHBondContact O-N 3.42Å; L646-A649 VanDerWaalsContact O-N 3.15Å; V647-A649 PolarHBondContact O-N 2.92Å; A649-E651 PolarHBondContact O-N 3.36Å; A649-T652 PolarHBondContact O-N 3.4Å; A649-T652 PolarHBondContact O-OG1 2.84Å; A649-L657 HydrophobicContact CB-CB 4.37Å; A649-L657 HydrophobicContact CB-CD2 4.19Å; A649-L657 HydrophobicContact CB-CG 4.36Å; A649-I658 HydrophobicContact CB-CG1 4.05Å; A649-V661 HydrophobicContact CB-CG2 3.86Å
650V89.9Confident88.2Confident29 Ų2953.4 Ų53.418%0.17629%0.288CS..Hα-helixtrans-64.8-39.4177.3174.50000111.4L646 V647 T652 G653 I658 H683 A686L646-V650 HydrophobicContact CD1-CG2 4.38Å; L646-V650 HydrophobicContact CG-CG2 4.29Å; L646-V650 WeakPolarHBondContact O-CB 3.3Å; L646-V650 VanDerWaalsContact O-CG2 3.25Å; L646-V650 WeakPolarHBondContact O-CG2 3.41Å; L646-V650 PolarHBondContact O-N 3.49Å; V647-V650 PolarHBondContact O-N 3.28Å; V650-T652 PolarHBondContact O-N 3.47Å; V650-G653 PolarHBondContact O-N 3.02Å; V650-G653 VanDerWaalsContact O-N 3.1Å; V650-I658 HydrophobicContact CG2-CD1 4.41Å; V650-I658 HydrophobicContact CG2-CG1 4.37Å; V650-H683 HydrophobicContact CG1-CB 4.45Å; V650-H683 HydrophobicContact CG2-CB 3.96Å; V650-A686 HydrophobicContact CG2-CB 4.27Å
651E89.2Confident88.2Confident123 Ų12350.6 Ų50.658%0.57527%0.268SS*.Hα-helixtrans-58.7-30.9174.7-75.8173.5-179.300113.3V647 R648 A649 G653V647-E651 WeakPolarHBondContact O-CG 3.44Å; V647-E651 PolarHBondContact O-N 3.03Å; R648-E651 WeakPolarHBondContact CD-OE2 3.37Å; R648-E651 IonicContact CZ-OE2 2.7Å; R648-E651 IonicContact NH1-OE2 3.61Å; R648-E651 PolarHBondContact NH1-OE2 3.14Å; R648-E651 PolarHBondContact O-N 2.89Å; A649-E651 PolarHBondContact O-N 3.36Å; E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.08Å
652T89.5Confident88Confident58 Ų5846.8 Ų46.836%0.35625%0.254SS..Hα-helixtrans-72.8-21.6178.167.50000113.7A629 R648 A649 V650 N654 L657A629-T652 HydrophobicContact CB-CG2 3.14Å; R648-T652 WeakPolarHBondContact O-CG2 3.32Å; R648-T652 PolarHBondContact O-N 3.27Å; A649-T652 PolarHBondContact O-N 3.4Å; A649-T652 PolarHBondContact O-OG1 2.84Å; V650-T652 PolarHBondContact O-N 3.47Å; T652-N654 PolarHBondContact O-N 3.27Å; T652-N654 VanDerWaalsContact O-N 3.13Å; T652-N654 WeakPolarHBondContact OG1-CB 3.37Å; T652-N654 PolarHBondContact OG1-N 3.2Å; T652-N654 VanDerWaalsContact OG1-N 3.13Å; T652-L657 HydrophobicContact CG2-CD2 4.05Å
653G86.6Confident87.9Confident52 Ų5248.2 Ų48.254%0.53626%0.264SS..THydrogen-bonded Turntrans62.68.2-16900000114.6V650 E651 P655V650-G653 PolarHBondContact O-N 3.02Å; V650-G653 VanDerWaalsContact O-N 3.1Å; E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.08Å; G653-P655 WeakPolarHBondContact O-CD 3.49Å
654N88.2Confident87.7Confident61 Ų6145.5 Ų45.533%0.32625%0.252SS..  trans-83.9112.3179.1-176.5-11.1000110.1T652 E656 L657 I658T652-N654 PolarHBondContact O-N 3.27Å; T652-N654 VanDerWaalsContact O-N 3.13Å; T652-N654 WeakPolarHBondContact OG1-CB 3.37Å; T652-N654 PolarHBondContact OG1-N 3.2Å; T652-N654 VanDerWaalsContact OG1-N 3.13Å; N654-E656 VanDerWaalsContact C-N 3.27Å; N654-E656 PolarHBondContact O-N 3.22Å; N654-E656 WeakPolarHBondContact OD1-CB 3.4Å; N654-E656 PolarHBondContact OD1-N 3.16Å; N654-L657 HydrophobicContact CB-CB 4.14Å; N654-L657 PolarHBondContact O-N 3.33Å; N654-I658 WeakPolarHBondContact O-CG1 3.19Å; N654-I658 PolarHBondContact O-N 2.93Å
655P87.1Confident87.4Confident78 Ų7841.3 Ų41.351%0.50624%0.236SC..Hα-helixtrans-60.6-34.9-178.825.6-34.2000112.3G653 L657 I658 T659 I689G653-P655 WeakPolarHBondContact O-CD 3.49Å; P655-L657 VanDerWaalsContact C-N 3.33Å; P655-L657 PolarHBondContact O-N 2.94Å; P655-I658 PolarHBondContact O-N 3.45Å; P655-T659 WeakPolarHBondContact O-CB 3.44Å; P655-T659 PolarHBondContact O-N 3.37Å; P655-T659 PolarHBondContact O-OG1 3.33Å; P655-I689 HydrophobicContact CB-CD1 4.44Å
656E88.1Confident86.7Confident143 Ų14344.3 Ų44.367%0.66825%0.251SS*.Hα-helixtrans-63.6-39.7179.2-62.3-178.516600112N654 T659 T660N654-E656 VanDerWaalsContact C-N 3.27Å; N654-E656 PolarHBondContact O-N 3.22Å; N654-E656 WeakPolarHBondContact OD1-CB 3.4Å; N654-E656 PolarHBondContact OD1-N 3.16Å; E656-T659 PolarHBondContact O-N 2.9Å; E656-T660 WeakPolarHBondContact O-CB 3.41Å; E656-T660 PolarHBondContact O-N 3.2Å; E656-T660 PolarHBondContact O-OG1 3.43Å
657L88.8Confident85.8Confident16 Ų1651.3 Ų51.38%0.08428%0.283CS..Hα-helixtrans-69.8-38.7179.2-146.379.9000111.2A629 W630 V633 A649 T652 N654 P655 T660 V661A629-L657 HydrophobicContact CB-CD2 4.19Å; W630-L657 HydrophobicContact CB-CD1 3.78Å; V633-L657 HydrophobicContact CB-CD2 4.03Å; V633-L657 HydrophobicContact CB-CG 4.28Å; V633-L657 HydrophobicContact CG1-CD2 4.48Å; V633-L657 HydrophobicContact CG1-CG 4.3Å; V633-L657 HydrophobicContact CG2-CD2 3.62Å; V633-L657 HydrophobicContact CG2-CG 4.32Å; A649-L657 HydrophobicContact CB-CB 4.37Å; A649-L657 HydrophobicContact CB-CD2 4.19Å; A649-L657 HydrophobicContact CB-CG 4.36Å; T652-L657 HydrophobicContact CG2-CD2 4.05Å; N654-L657 HydrophobicContact CB-CB 4.14Å; N654-L657 PolarHBondContact O-N 3.33Å; P655-L657 VanDerWaalsContact C-N 3.33Å; P655-L657 PolarHBondContact O-N 2.94Å; L657-T660 WeakPolarHBondContact O-CB 3.34Å; L657-T660 PolarHBondContact O-N 3.15Å; L657-V661 WeakPolarHBondContact O-CG2 3.43Å; L657-V661 PolarHBondContact O-N 2.77Å
658I90Very high84.4Confident1 Ų153 Ų531%0.00529%0.288CS..Hα-helixtrans-66-47.3175.5-60.1166.1000109.9A649 V650 N654 P655 T660 V661 V662 I685 A686 I689A649-I658 HydrophobicContact CB-CG1 4.05Å; V650-I658 HydrophobicContact CG2-CD1 4.41Å; V650-I658 HydrophobicContact CG2-CG1 4.37Å; N654-I658 WeakPolarHBondContact O-CG1 3.19Å; N654-I658 PolarHBondContact O-N 2.93Å; P655-I658 PolarHBondContact O-N 3.45Å; I658-T660 VanDerWaalsContact C-N 3.27Å; I658-T660 PolarHBondContact O-N 2.81Å; I658-V661 PolarHBondContact O-N 2.85Å; I658-V661 VanDerWaalsContact O-N 3.09Å; I658-V662 HydrophobicContact CG2-CG2 4.2Å; I658-V662 WeakPolarHBondContact O-CB 3.44Å; I658-V662 WeakPolarHBondContact O-CG2 3.39Å; I658-V662 PolarHBondContact O-N 3.45Å; I658-I685 HydrophobicContact CD1-CG2 3.91Å; I658-A686 HydrophobicContact CG2-CB 3.98Å; I658-I689 HydrophobicContact CB-CD1 3.92Å; I658-I689 HydrophobicContact CD1-CD1 4.38Å; I658-I689 HydrophobicContact CG2-CD1 3.67Å
659T87.3Confident83Confident47 Ų4755 Ų5529%0.28831%0.312SS..Hα-helixtrans-56.9-41.7175.2-58.80000111.1P655 E656 V661 V662 V663 I689 T693P655-T659 WeakPolarHBondContact O-CB 3.44Å; P655-T659 PolarHBondContact O-N 3.37Å; P655-T659 PolarHBondContact O-OG1 3.33Å; E656-T659 PolarHBondContact O-N 2.9Å; T659-V661 VanDerWaalsContact C-N 3.31Å; T659-V661 PolarHBondContact O-N 3.09Å; T659-V662 PolarHBondContact O-N 3.4Å; T659-V663 HydrophobicContact CG2-CG2 4.05Å; T659-V663 WeakPolarHBondContact O-CB 3.35Å; T659-V663 VanDerWaalsContact O-CG2 3.27Å; T659-V663 WeakPolarHBondContact O-CG2 3.3Å; T659-V663 PolarHBondContact O-N 2.95Å; T659-I689 WeakPolarHBondContact OG1-CG2 3.22Å; T659-T693 HydrophobicContact CG2-CG2 4.3Å
660T87.1Confident81.6Confident71 Ų7159 Ų5944%0.43633%0.33SS..Hα-helixtrans-58.2-43.2176.5-570000111.9E656 L657 I658 A664E656-T660 WeakPolarHBondContact O-CB 3.41Å; E656-T660 PolarHBondContact O-N 3.2Å; E656-T660 PolarHBondContact O-OG1 3.43Å; L657-T660 WeakPolarHBondContact O-CB 3.34Å; L657-T660 PolarHBondContact O-N 3.15Å; I658-T660 VanDerWaalsContact C-N 3.27Å; I658-T660 PolarHBondContact O-N 2.81Å; T660-A664 WeakPolarHBondContact O-CB 3.02Å; T660-A664 PolarHBondContact O-N 2.91Å; T660-A664 VanDerWaalsContact O-N 3.14Å
661V86.8Confident80.5Confident0 Ų059.7 Ų59.70%033%0.332CS..Hα-helixtrans-69.5-43.2176.6179.90000111.5V633 L637 A645 L646 A649 L657 I658 T659 A664 L665V633-V661 HydrophobicContact CG1-CG2 3.33Å; L637-V661 HydrophobicContact CD1-CG2 4.43Å; L637-V661 HydrophobicContact CD2-CG1 4.27Å; A645-V661 HydrophobicContact CB-CG1 4.37Å; A645-V661 HydrophobicContact CB-CG2 4.37Å; L646-V661 HydrophobicContact CB-CG1 3.94Å; L646-V661 HydrophobicContact CD1-CB 4.22Å; L646-V661 HydrophobicContact CD1-CG1 3.8Å; A649-V661 HydrophobicContact CB-CG2 3.86Å; L657-V661 WeakPolarHBondContact O-CG2 3.43Å; L657-V661 PolarHBondContact O-N 2.77Å; I658-V661 PolarHBondContact O-N 2.85Å; I658-V661 VanDerWaalsContact O-N 3.09Å; T659-V661 VanDerWaalsContact C-N 3.31Å; T659-V661 PolarHBondContact O-N 3.09Å; V661-A664 PolarHBondContact O-N 3.11Å; V661-L665 HydrophobicContact CG1-CD1 4.06Å; V661-L665 HydrophobicContact CG1-CG 4.43Å; V661-L665 VanDerWaalsContact O-CG 3.28Å; V661-L665 WeakPolarHBondContact O-CG 3.1Å; V661-L665 PolarHBondContact O-N 3.37Å
662V84.3Confident79.6Confident0 Ų057.2 Ų57.20%033%0.327CS..Hα-helixtrans-61.3-45.3179.4163.60000111.5I658 T659 L665 Q666 I689 Y690I658-V662 HydrophobicContact CG2-CG2 4.2Å; I658-V662 WeakPolarHBondContact O-CB 3.44Å; I658-V662 WeakPolarHBondContact O-CG2 3.39Å; I658-V662 PolarHBondContact O-N 3.45Å; T659-V662 PolarHBondContact O-N 3.4Å; V662-L665 WeakPolarHBondContact O-CB 3.48Å; V662-L665 PolarHBondContact O-N 2.95Å; V662-Q666 WeakPolarHBondContact O-CG 3.41Å; V662-Q666 PolarHBondContact O-N 3.45Å; V662-I689 HydrophobicContact CG1-CG2 4.47Å; V662-I689 HydrophobicContact CG2-CG2 4.45Å; V662-Y690 HydrophobicContact CG1-CD2 3.95Å; V662-Y690 HydrophobicContact CG1-CG 4.42Å
663V82.9Confident78.6Confident47 Ų4756.7 Ų56.729%0.28533%0.325SS..Hα-helixtrans-63.6-44.4176171.40000110.5T659 L665 Q666 E667T659-V663 HydrophobicContact CG2-CG2 4.05Å; T659-V663 WeakPolarHBondContact O-CB 3.35Å; T659-V663 VanDerWaalsContact O-CG2 3.27Å; T659-V663 WeakPolarHBondContact O-CG2 3.3Å; T659-V663 PolarHBondContact O-N 2.95Å; V663-L665 PolarHBondContact O-N 3.29Å; V663-Q666 PolarHBondContact O-N 3.39Å; V663-Q666 VanDerWaalsContact O-N 3.07Å; V663-E667 HydrophobicContact CG1-CG 4.12Å; V663-E667 WeakPolarHBondContact O-CG 3.46Å; V663-E667 PolarHBondContact O-N 3.35Å
664A81.5Confident77.8Confident16 Ų1656.4 Ų56.413%0.13232%0.317CS..Hα-helixtrans-62.1-31.8176.600000113.1L637 T660 V661L637-A664 HydrophobicContact CD1-CB 3.96Å; L637-A664 HydrophobicContact CD2-CB 4.06Å; T660-A664 WeakPolarHBondContact O-CB 3.02Å; T660-A664 PolarHBondContact O-N 2.91Å; T660-A664 VanDerWaalsContact O-N 3.14Å; V661-A664 PolarHBondContact O-N 3.11Å
665L79.2Confident77Confident7 Ų757 Ų574%0.03732%0.321CS..Hα-helixtrans-70.9-36.9173.4-75.6171.1000112.4Y642 V661 V662 V663 L671 L676Y642-L665 HydrophobicContact CD1-CD2 4.01Å; Y642-L665 HydrophobicContact CG-CD2 3.87Å; V661-L665 HydrophobicContact CG1-CD1 4.06Å; V661-L665 HydrophobicContact CG1-CG 4.43Å; V661-L665 VanDerWaalsContact O-CG 3.28Å; V661-L665 WeakPolarHBondContact O-CG 3.1Å; V661-L665 PolarHBondContact O-N 3.37Å; V662-L665 WeakPolarHBondContact O-CB 3.48Å; V662-L665 PolarHBondContact O-N 2.95Å; V663-L665 PolarHBondContact O-N 3.29Å; L665-L671 HydrophobicContact CD2-CD1 3.68Å; L665-L676 HydrophobicContact CB-CD1 3.97Å; L665-L676 HydrophobicContact CD1-CD1 3.8Å; L665-L676 HydrophobicContact CD2-CD1 4.1Å; L665-L676 HydrophobicContact CG-CD1 4.18Å
666Q75.8Confident76.3Confident63 Ų6353.7 Ų53.729%0.29430%0.299SS..Hα-helixtrans-72.1-48.8179.2-75.1172.8-19.200112.3V662 V663 Q668 Y690 T693V662-Q666 WeakPolarHBondContact O-CG 3.41Å; V662-Q666 PolarHBondContact O-N 3.45Å; V663-Q666 PolarHBondContact O-N 3.39Å; V663-Q666 VanDerWaalsContact O-N 3.07Å; Q666-Q668 VanDerWaalsContact C-N 3.28Å; Q666-Q668 PolarHBondContact O-N 2.9Å; Q666-Y690 HydrophobicContact CG-CD2 4.1Å; Q666-Y690 HydrophobicContact CG-CE2 3.59Å; Q666-T693 PolarHBondContact NE2-OG1 3.37Å; Q666-T693 PolarHBondContact OE1-OG1 3.3Å
667E70.8Confident75.5Confident146 Ų14647.4 Ų47.468%0.68227%0.271SS*.Hα-helixtrans-65.7-27.5-171.1-75.8-176.4166.700114.2V663V663-E667 HydrophobicContact CG1-CG 4.12Å; V663-E667 WeakPolarHBondContact O-CG 3.46Å; V663-E667 PolarHBondContact O-N 3.35Å
668Q59.5Low74.9Confident84 Ų8451.5 Ų51.539%0.39329%0.291SS..THydrogen-bonded Turntrans-120.59.6-159.3-62.7179.76.100115Q666 K670Q666-Q668 VanDerWaalsContact C-N 3.28Å; Q666-Q668 PolarHBondContact O-N 2.9Å; Q668-K670 HydrophobicContact CB-CD 3.47Å; Q668-K670 VanDerWaalsContact CB-CD 3.47Å; Q668-K670 HydrophobicContact CB-CG 4.03Å; Q668-K670 HydrophobicContact CG-CD 4.34Å; Q668-K670 WeakPolarHBondContact O-CG 3.17Å; Q668-K670 PolarHBondContact O-N 2.99Å
669S58.8Low74.2Confident112 Ų11252.3 Ų52.378%0.78330%0.296SS*.  trans41.832.5177.960.30000114.6L671S669-L671 VanDerWaalsContact C-N 3.33Å; S669-L671 PolarHBondContact O-N 2.81Å
670K62.2Low73.8Confident86 Ų8650 Ų5037%0.37428%0.282SS..  trans-80.6-15.1-166.3-97.1158.3162.5-154.50114Y642 Q668Y642-K670 HydrophobicContact CD2-CB 4.46Å; Y642-K670 HydrophobicContact CE1-CB 4.26Å; Y642-K670 HydrophobicContact CE1-CD 3.76Å; Y642-K670 HydrophobicContact CE2-CB 3.75Å; Y642-K670 HydrophobicContact CE2-CD 4.29Å; Y642-K670 HydrophobicContact CE2-CG 4.22Å; Y642-K670 WeakPolarHBondContact OH-CD 3.27Å; Y642-K670 WeakPolarHBondContact OH-CE 3.46Å; Y642-K670 WeakPolarHBondContact OH-CG 3.24Å; Y642-K670 PolarHBondContact OH-NZ 3.4Å; Q668-K670 HydrophobicContact CB-CD 3.47Å; Q668-K670 VanDerWaalsContact CB-CD 3.47Å; Q668-K670 HydrophobicContact CB-CG 4.03Å; Q668-K670 HydrophobicContact CG-CD 4.34Å; Q668-K670 WeakPolarHBondContact O-CG 3.17Å; Q668-K670 PolarHBondContact O-N 2.99Å
671L67.2Low73.4Confident42 Ų4254.7 Ų54.722%0.2229%0.291CS..SBendtrans-121.4140.5171.5-77.5167.1000109Y642 L665 S669 D675 L676Y642-L671 HydrophobicContact CD2-CD1 4.28Å; Y642-L671 HydrophobicContact CD2-CG 4.15Å; Y642-L671 HydrophobicContact CG-CD1 4.38Å; L665-L671 HydrophobicContact CD2-CD1 3.68Å; S669-L671 VanDerWaalsContact C-N 3.33Å; S669-L671 PolarHBondContact O-N 2.81Å; L671-D675 HydrophobicContact CB-CB 4.47Å; L671-D675 HydrophobicContact CD2-CB 4.15Å; L671-L676 HydrophobicContact CB-CB 4.33Å
672P70.7Confident73.2Confident72 Ų7262.9 Ų62.947%0.46832%0.322SS..  trans-51.3143.8166.1-24.733.5000110.6A674 D675 L676P672-A674 PolarHBondContact O-N 2.94Å; P672-D675 HydrophobicContact CB-CB 4.46Å; P672-D675 WeakPolarHBondContact CD-OD2 2.92Å; P672-D675 WeakPolarHBondContact CG-OD2 3.31Å; P672-D675 PolarHBondContact O-N 3.49Å; P672-L676 PolarHBondContact O-N 3.17Å
673P67.5Low73.1Confident47 Ų4764.5 Ų64.531%0.30533%0.33SS..Hα-helixtrans-52.4-34.5-178.8-28.834.7000114.2A677 T708 A711P673-A677 WeakPolarHBondContact O-CB 3.45Å; P673-A677 PolarHBondContact O-N 3Å; P673-T708 HydrophobicContact CB-CG2 3.82Å; P673-T708 HydrophobicContact CG-CG2 4.09Å; P673-A711 HydrophobicContact CB-CB 3.97Å
674A69.5Low73.1Confident46 Ų4666.9 Ų66.938%0.3835%0.346SS..Hα-helixtrans-68.4-42.717700000112.8P672 A677 M678P672-A674 PolarHBondContact O-N 2.94Å; A674-A677 PolarHBondContact O-N 3.44Å; A674-M678 PolarHBondContact O-N 3.47Å
675D71.7Confident73.2Confident74 Ų7470.7 Ų70.740%0.39636%0.363SS..Hα-helixtrans-68.8-40178.4-67.3-22000110.8L671 P672 M678 V679L671-D675 HydrophobicContact CB-CB 4.47Å; L671-D675 HydrophobicContact CD2-CB 4.15Å; P672-D675 HydrophobicContact CB-CB 4.46Å; P672-D675 WeakPolarHBondContact CD-OD2 2.92Å; P672-D675 WeakPolarHBondContact CG-OD2 3.31Å; P672-D675 PolarHBondContact O-N 3.49Å; D675-M678 PolarHBondContact O-N 3.22Å; D675-V679 WeakPolarHBondContact O-CB 3.27Å; D675-V679 VanDerWaalsContact O-CG2 3.27Å; D675-V679 WeakPolarHBondContact O-CG2 3.47Å; D675-V679 PolarHBondContact O-N 3.4Å
676L73.4Confident73.4Confident8 Ų870.4 Ų70.44%0.04236%0.362CS..Hα-helixtrans-60.5-47.1173.5-179.262.7000111.1L665 L671 P672 M678 V679 L680 Y690 T708L665-L676 HydrophobicContact CB-CD1 3.97Å; L665-L676 HydrophobicContact CD1-CD1 3.8Å; L665-L676 HydrophobicContact CD2-CD1 4.1Å; L665-L676 HydrophobicContact CG-CD1 4.18Å; L671-L676 HydrophobicContact CB-CB 4.33Å; P672-L676 PolarHBondContact O-N 3.17Å; L676-M678 PolarHBondContact O-N 3.38Å; L676-V679 PolarHBondContact O-N 2.79Å; L676-L680 HydrophobicContact CD1-CD1 4Å; L676-L680 HydrophobicContact CD1-CG 4.17Å; L676-L680 HydrophobicContact CG-CD1 3.91Å; L676-L680 HydrophobicContact CG-CG 4.46Å; L676-L680 WeakPolarHBondContact O-CB 3.01Å; L676-L680 VanDerWaalsContact O-CG 3.32Å; L676-L680 WeakPolarHBondContact O-CG 3.1Å; L676-L680 PolarHBondContact O-N 3.28Å; L676-Y690 HydrophobicContact CD2-CE2 4.05Å; L676-T708 HydrophobicContact CD2-CG2 3.99Å
677A71.7Confident73.7Confident10 Ų1069.2 Ų69.28%0.08336%0.357CS..Hα-helixtrans-61.2-42.7177.200000112P673 A674 V679 R681 L712P673-A677 WeakPolarHBondContact O-CB 3.45Å; P673-A677 PolarHBondContact O-N 3Å; A674-A677 PolarHBondContact O-N 3.44Å; A677-V679 PolarHBondContact O-N 3.31Å; A677-R681 WeakPolarHBondContact O-CB 2.9Å; A677-R681 PolarHBondContact O-N 3.38Å; A677-L712 HydrophobicContact CB-CD2 3.81Å; A677-L712 HydrophobicContact CB-CG 4.39Å
678M75.5Confident74.3Confident103 Ų10364.7 Ų64.751%0.50735%0.345SS..Hα-helixtrans-61.3-43.7175.5-87.5-167.555.700112.8A674 D675 L676A674-M678 PolarHBondContact O-N 3.47Å; D675-M678 PolarHBondContact O-N 3.22Å; L676-M678 PolarHBondContact O-N 3.38Å
679V75.5Confident75.4Confident17 Ų1761.7 Ų61.710%0.10333%0.332CS..Hα-helixtrans-68.4-44.6-179.41690000110.9L646 D675 L676 A677 R681 R682L646-V679 HydrophobicContact CD2-CG1 3.43Å; L646-V679 VanDerWaalsContact CD2-CG1 3.43Å; D675-V679 WeakPolarHBondContact O-CB 3.27Å; D675-V679 VanDerWaalsContact O-CG2 3.27Å; D675-V679 WeakPolarHBondContact O-CG2 3.47Å; D675-V679 PolarHBondContact O-N 3.4Å; L676-V679 PolarHBondContact O-N 2.79Å; A677-V679 PolarHBondContact O-N 3.31Å; V679-R681 PolarHBondContact O-N 2.74Å; V679-R682 PolarHBondContact O-N 3.35Å
680L78.9Confident76.4Confident0 Ų056.6 Ų56.60%030%0.295CS..Hα-helixtrans-64-38.3178.2-70171.4000112.4L646 L676 R682 H683 A686 L687 Y690L646-L680 HydrophobicContact CD2-CD2 4.39Å; L676-L680 HydrophobicContact CD1-CD1 4Å; L676-L680 HydrophobicContact CD1-CG 4.17Å; L676-L680 HydrophobicContact CG-CD1 3.91Å; L676-L680 HydrophobicContact CG-CG 4.46Å; L676-L680 WeakPolarHBondContact O-CB 3.01Å; L676-L680 VanDerWaalsContact O-CG 3.32Å; L676-L680 WeakPolarHBondContact O-CG 3.1Å; L676-L680 PolarHBondContact O-N 3.28Å; L680-R682 VanDerWaalsContact C-N 3.26Å; L680-R682 PolarHBondContact O-N 3.31Å; L680-H683 CarbonylContact O-C 3.58Å; L680-H683 VanDerWaalsContact O-C 3.28Å; L680-H683 PolarHBondContact O-N 3.27Å; L680-A686 HydrophobicContact CD2-CB 4.1Å; L680-L687 HydrophobicContact CB-CB 4.48Å; L680-L687 HydrophobicContact CB-CD1 4.03Å; L680-Y690 HydrophobicContact CD1-CD1 4.04Å; L680-Y690 HydrophobicContact CD1-CD2 3.58Å; L680-Y690 HydrophobicContact CD1-CE1 4.39Å; L680-Y690 HydrophobicContact CD1-CE2 3.97Å; L680-Y690 HydrophobicContact CD1-CG 3.64Å; L680-Y690 HydrophobicContact CD2-CD2 4.45Å
681R77.5Confident77.1Confident169 Ų16956.9 Ų56.964%0.63830%0.298SS*.Hα-helixtrans-63.2-29.7179.1-178.3175.2164.2144.2-4.6113.5A677 V679 H683A677-R681 WeakPolarHBondContact O-CB 2.9Å; A677-R681 PolarHBondContact O-N 3.38Å; V679-R681 PolarHBondContact O-N 2.74Å; R681-H683 PolarHBondContact O-N 2.72Å
682R82.6Confident77.7Confident171 Ų17160.1 Ų60.165%0.64531%0.312SS*.THydrogen-bonded Turntrans-69.1-16.8175.5-68.5-179.6-178.6-167.30.8112.6V679 L680V679-R682 PolarHBondContact O-N 3.35Å; L680-R682 VanDerWaalsContact C-N 3.26Å; L680-R682 PolarHBondContact O-N 3.31Å
683H83.3Confident77.8Confident35 Ų3557.8 Ų57.816%0.16230%0.296CS..  trans-132.187.4-175.9-61.3-67.4000111V650 L680 R681 I685 A686 L687V650-H683 HydrophobicContact CG1-CB 4.45Å; V650-H683 HydrophobicContact CG2-CB 3.96Å; L680-H683 CarbonylContact O-C 3.58Å; L680-H683 VanDerWaalsContact O-C 3.28Å; L680-H683 PolarHBondContact O-N 3.27Å; R681-H683 PolarHBondContact O-N 2.72Å; H683-I685 PolarHBondContact O-N 2.99Å; H683-A686 HydrophobicContact CB-CB 3.98Å; H683-A686 WeakPolarHBondContact O-CB 3.47Å; H683-A686 PolarHBondContact O-N 3.44Å; H683-L687 PolarHBondContact O-N 2.68Å; H683-L687 VanDerWaalsContact O-N 3.11Å
684P83.4Confident77.9Confident96 Ų9656.5 Ų56.562%0.62329%0.286SS*.Hα-helixtrans-53.7-33.7-175.2-28.134.6000114.9L687 A688P684-L687 PolarHBondContact O-N 2.93Å; P684-A688 PolarHBondContact O-N 3.2Å
685I83.9Confident77.8Confident97 Ų9760.9 Ų60.950%0.49730%0.299SS..Hα-helixtrans-65.6-44.5177.4-58.9173.5000110.8I658 H683 L687 A688 I689I658-I685 HydrophobicContact CD1-CG2 3.91Å; H683-I685 PolarHBondContact O-N 2.99Å; I685-L687 VanDerWaalsContact C-N 3.31Å; I685-L687 PolarHBondContact O-N 2.95Å; I685-A688 PolarHBondContact O-N 3.34Å; I685-I689 HydrophobicContact CG2-CD1 4.11Å; I685-I689 WeakPolarHBondContact O-CG1 3.27Å; I685-I689 PolarHBondContact O-N 2.79Å; I685-I689 VanDerWaalsContact O-N 3.09Å
686A82.9Confident77.3Confident0 Ų063.6 Ų63.60%031%0.309CS..Hα-helixtrans-66.3-36177.500000111.7L646 V650 I658 L680 H683 Y690L646-A686 HydrophobicContact CD1-CB 3.83Å; L646-A686 HydrophobicContact CD2-CB 4.22Å; L646-A686 HydrophobicContact CG-CB 4.38Å; V650-A686 HydrophobicContact CG2-CB 4.27Å; I658-A686 HydrophobicContact CG2-CB 3.98Å; L680-A686 HydrophobicContact CD2-CB 4.1Å; H683-A686 HydrophobicContact CB-CB 3.98Å; H683-A686 WeakPolarHBondContact O-CB 3.47Å; H683-A686 PolarHBondContact O-N 3.44Å; A686-Y690 VanDerWaalsContact O-CB 3.27Å; A686-Y690 WeakPolarHBondContact O-CB 3.31Å; A686-Y690 PolarHBondContact O-N 3.21Å
687L82.4Confident76.5Confident38 Ų3864.9 Ų64.920%0.19932%0.321CS..Hα-helixtrans-64.1-43.5174.9-176.966.1000112L680 H683 P684 I685 Y690 Q691 L712L680-L687 HydrophobicContact CB-CB 4.48Å; L680-L687 HydrophobicContact CB-CD1 4.03Å; H683-L687 PolarHBondContact O-N 2.68Å; H683-L687 VanDerWaalsContact O-N 3.11Å; P684-L687 PolarHBondContact O-N 2.93Å; I685-L687 VanDerWaalsContact C-N 3.31Å; I685-L687 PolarHBondContact O-N 2.95Å; L687-Y690 PolarHBondContact O-N 3.05Å; L687-Q691 WeakPolarHBondContact O-CG 3.21Å; L687-Q691 PolarHBondContact O-N 3.1Å; L687-L712 HydrophobicContact CD1-CD2 4.04Å
688A82.1Confident75.5Confident52 Ų5269 Ų6943%0.4334%0.342SS..Hα-helixtrans-62.6-45.5177.200000111.8P684 I685 Y690 Q691 E692P684-A688 PolarHBondContact O-N 3.2Å; I685-A688 PolarHBondContact O-N 3.34Å; A688-Y690 VanDerWaalsContact C-N 3.33Å; A688-Y690 PolarHBondContact O-N 3.23Å; A688-Q691 PolarHBondContact O-N 3.13Å; A688-E692 PolarHBondContact O-N 3.4Å
689I82.5Confident74.2Confident21 Ų2172.6 Ų72.611%0.10836%0.357CS..Hα-helixtrans-63-41.4176-67.6169.4000110.7P655 I658 T659 V662 I685 Q691 E692 T693P655-I689 HydrophobicContact CB-CD1 4.44Å; I658-I689 HydrophobicContact CB-CD1 3.92Å; I658-I689 HydrophobicContact CD1-CD1 4.38Å; I658-I689 HydrophobicContact CG2-CD1 3.67Å; T659-I689 WeakPolarHBondContact OG1-CG2 3.22Å; V662-I689 HydrophobicContact CG1-CG2 4.47Å; V662-I689 HydrophobicContact CG2-CG2 4.45Å; I685-I689 HydrophobicContact CG2-CD1 4.11Å; I685-I689 WeakPolarHBondContact O-CG1 3.27Å; I685-I689 PolarHBondContact O-N 2.79Å; I685-I689 VanDerWaalsContact O-N 3.09Å; I689-Q691 VanDerWaalsContact C-N 3.33Å; I689-Q691 PolarHBondContact O-N 3.44Å; I689-E692 PolarHBondContact O-N 2.66Å; I689-T693 HydrophobicContact CG2-CG2 4.25Å; I689-T693 WeakPolarHBondContact O-CG2 3.49Å; I689-T693 PolarHBondContact O-N 3.23Å; I689-T693 PolarHBondContact O-OG1 2.87Å
690Y79.6Confident72.8Confident5 Ų576.5 Ų76.52%0.0239%0.385CS..Hα-helixtrans-60.5-40.7175.9179.9-82.5000112.4V662 Q666 L676 L680 A686 L687 A688 T693 L694 T708 L712V662-Y690 HydrophobicContact CG1-CD2 3.95Å; V662-Y690 HydrophobicContact CG1-CG 4.42Å; Q666-Y690 HydrophobicContact CG-CD2 4.1Å; Q666-Y690 HydrophobicContact CG-CE2 3.59Å; L676-Y690 HydrophobicContact CD2-CE2 4.05Å; L680-Y690 HydrophobicContact CD1-CD1 4.04Å; L680-Y690 HydrophobicContact CD1-CD2 3.58Å; L680-Y690 HydrophobicContact CD1-CE1 4.39Å; L680-Y690 HydrophobicContact CD1-CE2 3.97Å; L680-Y690 HydrophobicContact CD1-CG 3.64Å; L680-Y690 HydrophobicContact CD2-CD2 4.45Å; A686-Y690 VanDerWaalsContact O-CB 3.27Å; A686-Y690 WeakPolarHBondContact O-CB 3.31Å; A686-Y690 PolarHBondContact O-N 3.21Å; L687-Y690 PolarHBondContact O-N 3.05Å; A688-Y690 VanDerWaalsContact C-N 3.33Å; A688-Y690 PolarHBondContact O-N 3.23Å; Y690-T693 PolarHBondContact O-OG1 3.14Å; Y690-L694 HydrophobicContact CD1-CD1 4.5Å; Y690-L694 HydrophobicContact CE1-CD1 3.64Å; Y690-L694 VanDerWaalsContact O-CB 3.28Å; Y690-L694 WeakPolarHBondContact O-CB 3.17Å; Y690-L694 PolarHBondContact O-N 2.92Å; Y690-L694 VanDerWaalsContact O-N 3.16Å; Y690-T708 WeakPolarHBondContact OH-CB 3.31Å; Y690-T708 PolarHBondContact OH-OG1 3.29Å; Y690-L712 HydrophobicContact CD1-CD1 3.98Å; Y690-L712 HydrophobicContact CE1-CD1 3.43Å; Y690-L712 VanDerWaalsContact CE1-CD1 3.43Å
691Q77.9Confident71.2Confident91 Ų9185 Ų8543%0.42542%0.422SS..Hα-helixtrans-66.5-44.2176.5-73.1173-1900111.3L687 A688 I689 L694 E695L687-Q691 WeakPolarHBondContact O-CG 3.21Å; L687-Q691 PolarHBondContact O-N 3.1Å; A688-Q691 PolarHBondContact O-N 3.13Å; I689-Q691 VanDerWaalsContact C-N 3.33Å; I689-Q691 PolarHBondContact O-N 3.44Å; Q691-L694 PolarHBondContact O-N 2.92Å; Q691-E695 WeakPolarHBondContact O-CG 3.46Å; Q691-E695 PolarHBondContact O-N 2.86Å
692E78.5Confident69.4Low111 Ų11183.2 Ų83.252%0.51944%0.435SS..Hα-helixtrans-63.9-44.2178.4-173.6178.7-17900112.3A688 I689 L694 E695 Q696A688-E692 PolarHBondContact O-N 3.4Å; I689-E692 PolarHBondContact O-N 2.66Å; E692-L694 PolarHBondContact O-N 3.44Å; E692-E695 PolarHBondContact O-N 2.69Å; E692-Q696 WeakPolarHBondContact O-CG 3.49Å; E692-Q696 PolarHBondContact O-N 2.97Å; E692-Q696 VanDerWaalsContact O-N 3.09Å
693T74.4Confident67.7Low22 Ų2278.6 Ų78.614%0.13544%0.441CS..Hα-helixtrans-65.8-30177.258.80000112.1T659 Q666 I689 Y690 A697T659-T693 HydrophobicContact CG2-CG2 4.3Å; Q666-T693 PolarHBondContact NE2-OG1 3.37Å; Q666-T693 PolarHBondContact OE1-OG1 3.3Å; I689-T693 HydrophobicContact CG2-CG2 4.25Å; I689-T693 WeakPolarHBondContact O-CG2 3.49Å; I689-T693 PolarHBondContact O-N 3.23Å; I689-T693 PolarHBondContact O-OG1 2.87Å; Y690-T693 PolarHBondContact O-OG1 3.14Å; T693-A697 WeakPolarHBondContact O-CB 3.49Å; T693-A697 PolarHBondContact O-N 3.29Å
694L69.8Low66Low20 Ų2081.8 Ų81.811%0.10547%0.467CS..Hα-helixtrans-74.2-37.9176.7-158.2139.7000112.1Y690 Q691 E692 Q696 A697 D698 K709Y690-L694 HydrophobicContact CD1-CD1 4.5Å; Y690-L694 HydrophobicContact CE1-CD1 3.64Å; Y690-L694 VanDerWaalsContact O-CB 3.28Å; Y690-L694 WeakPolarHBondContact O-CB 3.17Å; Y690-L694 PolarHBondContact O-N 2.92Å; Y690-L694 VanDerWaalsContact O-N 3.16Å; Q691-L694 PolarHBondContact O-N 2.92Å; E692-L694 PolarHBondContact O-N 3.44Å; L694-Q696 VanDerWaalsContact C-N 3.33Å; L694-A697 PolarHBondContact O-N 2.86Å; L694-D698 PolarHBondContact O-N 3.38Å; L694-K709 HydrophobicContact CD2-CD 3.9Å; L694-K709 HydrophobicContact CD2-CG 4.44Å
695E65.6Low64.5Low138 Ų13881.6 Ų81.665%0.64546%0.458SS*.Hα-helixtrans-66.2-33.7173.4-72.7-179.3179.200112.5Q691 E692Q691-E695 WeakPolarHBondContact O-CG 3.46Å; Q691-E695 PolarHBondContact O-N 2.86Å; E692-E695 PolarHBondContact O-N 2.69Å
696Q62.1Low63.2Low131 Ų13183.2 Ų83.261%0.61247%0.468SS*.Hα-helixtrans-75-27.8176.2-68.6176.712.700113E692 L694E692-Q696 WeakPolarHBondContact O-CG 3.49Å; E692-Q696 PolarHBondContact O-N 2.97Å; E692-Q696 VanDerWaalsContact O-N 3.09Å; L694-Q696 VanDerWaalsContact C-N 3.33Å
697A56Low62Low35 Ų3586.2 Ų86.229%0.28949%0.489SS..Hα-helixtrans-77.1-19.2178.700000114T693 L694 H699 S700T693-A697 WeakPolarHBondContact O-CB 3.49Å; T693-A697 PolarHBondContact O-N 3.29Å; L694-A697 PolarHBondContact O-N 2.86Å; A697-H699 PolarHBondContact O-N 3.44Å; A697-S700 PolarHBondContact O-N 3.33Å
698D50.3Low60.7Low97 Ų9785.7 Ų85.752%0.51949%0.487SS..THydrogen-bonded Turntrans-60-1.3-177.1-90.4-26.5000114.5L694 K709L694-D698 PolarHBondContact O-N 3.38Å; D698-K709 IonicContact OD2-NZ 3.5Å
699H49.8Very low59.7Low178 Ų17886.8 Ų86.882%0.82448%0.482SS*.THydrogen-bonded Turntrans-94-1.8176.8-73.4-45.9000116.5A697A697-H699 PolarHBondContact O-N 3.44Å
700S45.8Very low58.5Low99 Ų9988.2 Ų88.269%0.69249%0.494SS*.THydrogen-bonded Turntrans-142.8-21.9-172.963.80000122.3A697A697-S700 PolarHBondContact O-N 3.33Å
701K45.5Very low57.5Low180 Ų18088.6 Ų88.678%0.78350%0.499SS*.  trans-152.7104.1-179.8-65.6-175.5-176.61710114.1
702S39.9Very low56.6Low130 Ų13085.5 Ų85.591%0.90949%0.485SS*.  trans-92124.917574.10000111.7
703G47Very low55.5Low75 Ų7584.3 Ų84.377%0.77348%0.481SS*.SBendtrans173.9-39.8170.700000116.8
704S47.7Very low54.6Low101 Ų10187.8 Ų87.871%0.70650%0.499SS*.SBendtrans-111-23.4-174.9-1690000113.8N706S704-N706 VanDerWaalsContact C-N 3.34Å; S704-N706 PolarHBondContact O-N 3.39Å
705E51.9Low53.8Low93 Ų9392.7 Ų92.744%0.43552%0.52SS..THydrogen-bonded Turntrans-85-1.3-162.6-64.3174.6174.500114.7S707 T708E705-S707 PolarHBondContact O-N 2.92Å; E705-T708 PolarHBondContact O-OG1 3.16Å
706N56.1Low53.2Low130 Ų13089.4 Ų89.470%0.69551%0.507SS*.Hα-helixtrans-75.5-19.2179.5-84.4-13.4000114.1S704 S710S704-N706 VanDerWaalsContact C-N 3.34Å; S704-N706 PolarHBondContact O-N 3.39Å; N706-S710 WeakPolarHBondContact O-CB 3.43Å; N706-S710 PolarHBondContact O-N 2.95Å
707S56.3Low52.8Low64 Ų6489.2 Ų89.245%0.44851%0.505SS..Hα-helixtrans-78.1-37.1-175.772.20000113.6E705 A711E705-S707 PolarHBondContact O-N 2.92Å; S707-A711 WeakPolarHBondContact O-CB 3.32Å; S707-A711 PolarHBondContact O-N 3.06Å
708T57Low52.5Low26 Ų2695.9 Ų95.916%0.1653%0.531CS..Hα-helixtrans-77.2-39.7177.147.10000111.5P673 L676 Y690 E705 S710 A711 L712P673-T708 HydrophobicContact CB-CG2 3.82Å; P673-T708 HydrophobicContact CG-CG2 4.09Å; L676-T708 HydrophobicContact CD2-CG2 3.99Å; Y690-T708 WeakPolarHBondContact OH-CB 3.31Å; Y690-T708 PolarHBondContact OH-OG1 3.29Å; E705-T708 PolarHBondContact O-OG1 3.16Å; T708-S710 VanDerWaalsContact C-N 3.34Å; T708-A711 PolarHBondContact O-N 3.16Å; T708-L712 WeakPolarHBondContact O-CB 3.22Å; T708-L712 WeakPolarHBondContact O-CG 3.4Å; T708-L712 PolarHBondContact O-N 3.07Å
709K59.8Low52.7Low76 Ų7698.1 Ų98.133%0.3354%0.543SS..Hα-helixtrans-60.3-45.1170.3-161.9174.8-167.9160.90110.5L694 D698 L712 L713L694-K709 HydrophobicContact CD2-CD 3.9Å; L694-K709 HydrophobicContact CD2-CG 4.44Å; D698-K709 IonicContact OD2-NZ 3.5Å; K709-L712 PolarHBondContact O-N 2.97Å; K709-L713 HydrophobicContact CG-CD1 3.97Å; K709-L713 VanDerWaalsContact O-CB 3.25Å; K709-L713 WeakPolarHBondContact O-CB 3.41Å; K709-L713 WeakPolarHBondContact O-CD1 3.42Å; K709-L713 WeakPolarHBondContact O-CG 3.37Å; K709-L713 PolarHBondContact O-N 3.44Å
710S57.2Low53.4Low50 Ų5093.3 Ų93.335%0.3552%0.523SS..Hα-helixtrans-59.9-44.7171.9168.40000112.5N706 T708 L713 N714N706-S710 WeakPolarHBondContact O-CB 3.43Å; N706-S710 PolarHBondContact O-N 2.95Å; T708-S710 VanDerWaalsContact C-N 3.34Å; S710-L713 PolarHBondContact O-N 3.07Å; S710-N714 WeakPolarHBondContact O-CB 3.3Å; S710-N714 PolarHBondContact O-N 3.26Å; S710-N714 PolarHBondContact O-ND2 3.37Å; S710-N714 VanDerWaalsContact O-ND2 3.09Å; S710-N714 PolarHBondContact OG-ND2 2.85Å; S710-N714 VanDerWaalsContact OG-ND2 3.11Å
711A58.5Low54.5Low14 Ų1494.4 Ų94.412%0.11651%0.512CS..Hα-helixtrans-63-46.6177.400000111.7P673 S707 T708 L713 N714 F715P673-A711 HydrophobicContact CB-CB 3.97Å; S707-A711 WeakPolarHBondContact O-CB 3.32Å; S707-A711 PolarHBondContact O-N 3.06Å; T708-A711 PolarHBondContact O-N 3.16Å; A711-L713 PolarHBondContact O-N 2.97Å; A711-N714 PolarHBondContact O-N 3.34Å; A711-F715 WeakPolarHBondContact O-CB 3.38Å; A711-F715 VanDerWaalsContact O-CD2 3.27Å; A711-F715 WeakPolarHBondContact O-CD2 3.39Å; A711-F715 PolarHBondContact O-N 2.85Å
712L59.1Low55.8Low26 Ų2688 Ų8814%0.13649%0.493CS..Hα-helixtrans-60.7-45.8175.7-70.4164.6000111.2A677 L687 Y690 T708 K709 F715 D716A677-L712 HydrophobicContact CB-CD2 3.81Å; A677-L712 HydrophobicContact CB-CG 4.39Å; L687-L712 HydrophobicContact CD1-CD2 4.04Å; Y690-L712 HydrophobicContact CD1-CD1 3.98Å; Y690-L712 HydrophobicContact CE1-CD1 3.43Å; Y690-L712 VanDerWaalsContact CE1-CD1 3.43Å; T708-L712 WeakPolarHBondContact O-CB 3.22Å; T708-L712 WeakPolarHBondContact O-CG 3.4Å; T708-L712 PolarHBondContact O-N 3.07Å; K709-L712 PolarHBondContact O-N 2.97Å; L712-F715 PolarHBondContact O-N 3.43Å; L712-D716 WeakPolarHBondContact O-CB 3.47Å; L712-D716 VanDerWaalsContact O-CG 3.29Å; L712-D716 PolarHBondContact O-N 3.25Å
713L56.1Low57.3Low85 Ų8584.5 Ų84.545%0.44547%0.469SS..Hα-helixtrans-63-43.2176.6-73.2164.5000112.6K709 S710 A711 F715 D716 H717K709-L713 HydrophobicContact CG-CD1 3.97Å; K709-L713 VanDerWaalsContact O-CB 3.25Å; K709-L713 WeakPolarHBondContact O-CB 3.41Å; K709-L713 WeakPolarHBondContact O-CD1 3.42Å; K709-L713 WeakPolarHBondContact O-CG 3.37Å; K709-L713 PolarHBondContact O-N 3.44Å; S710-L713 PolarHBondContact O-N 3.07Å; A711-L713 PolarHBondContact O-N 2.97Å; L713-F715 VanDerWaalsContact C-N 3.3Å; L713-F715 PolarHBondContact O-N 3.38Å; L713-D716 PolarHBondContact O-N 3.42Å; L713-D716 VanDerWaalsContact O-N 3.16Å; L713-H717 PolarHBondContact O-CD2 2.95Å; L713-H717 PolarHBondContact O-N 3.39Å
714N55.6Low58.8Low96 Ų9686 Ų8651%0.51346%0.455SS..Hα-helixtrans-66.1-32.3178.7-72.2-26.3000112.4S710 A711S710-N714 WeakPolarHBondContact O-CB 3.3Å; S710-N714 PolarHBondContact O-N 3.26Å; S710-N714 PolarHBondContact O-ND2 3.37Å; S710-N714 VanDerWaalsContact O-ND2 3.09Å; S710-N714 PolarHBondContact OG-ND2 2.85Å; S710-N714 VanDerWaalsContact OG-ND2 3.11Å; A711-N714 PolarHBondContact O-N 3.34Å
715F52.8Low60.5Low122 Ų12281.1 Ų81.154%0.53542%0.421SS..Hα-helixtrans-80.5-22.9173.4-87.2-81.9000113.2A711 L712 L713A711-F715 WeakPolarHBondContact O-CB 3.38Å; A711-F715 VanDerWaalsContact O-CD2 3.27Å; A711-F715 WeakPolarHBondContact O-CD2 3.39Å; A711-F715 PolarHBondContact O-N 2.85Å; L712-F715 PolarHBondContact O-N 3.43Å; L713-F715 VanDerWaalsContact C-N 3.3Å; L713-F715 PolarHBondContact O-N 3.38Å
716D53.6Low62Low70 Ų7083 Ų8337%0.37443%0.428SS..Hα-helixtrans-85.8-19.8176.2-75.6-24.3000113.7L712 L713 E718 N719 D720L712-D716 WeakPolarHBondContact O-CB 3.47Å; L712-D716 VanDerWaalsContact O-CG 3.29Å; L712-D716 PolarHBondContact O-N 3.25Å; L713-D716 PolarHBondContact O-N 3.42Å; L713-D716 VanDerWaalsContact O-N 3.16Å; D716-E718 PolarHBondContact O-N 2.96Å; D716-N719 PolarHBondContact O-N 2.87Å; D716-D720 PolarHBondContact O-N 3.13Å
717H52.7Low63.3Low126 Ų12684.7 Ų84.758%0.58343%0.429SS*.THydrogen-bonded Turntrans-59.6-16.9179.9-77.6-41.5000114.8L713L713-H717 PolarHBondContact O-CD2 2.95Å; L713-H717 PolarHBondContact O-N 3.39Å
718E50.9Low64.8Low175 Ų17583.1 Ų83.182%0.81842%0.416SS*.THydrogen-bonded Turntrans-78.4-15.4175.2-67.2-170.3159.300113.7D716D716-E718 PolarHBondContact O-N 2.96Å
719N53.5Low66.4Low144 Ų14483.3 Ų83.377%0.7742%0.417SS*.THydrogen-bonded Turntrans-128-2.3-173.6-84.5-30.1000116.9D716D716-N719 PolarHBondContact O-N 2.87Å
720D64.4Low67.7Low77 Ų7784.6 Ų84.641%0.41243%0.427SS..  trans-119.824.1-163-153.826.7000118.5D716 A722 S723 E724D716-D720 PolarHBondContact O-N 3.13Å; D720-A722 PolarHBondContact O-N 2.95Å; D720-A722 VanDerWaalsContact O-N 3.1Å; D720-S723 VanDerWaalsContact CG-CB 3.42Å; D720-S723 PolarHBondContact O-N 3.46Å; D720-S723 VanDerWaalsContact O-N 3.16Å; D720-S723 WeakPolarHBondContact OD1-CB 3.34Å; D720-S723 PolarHBondContact OD1-OG 2.99Å; D720-S723 VanDerWaalsContact OD2-CB 3.27Å; D720-S723 WeakPolarHBondContact OD2-CB 3.43Å; D720-E724 PolarHBondContact O-N 3.15Å
721R69.5Low69.1Low122 Ų12284 Ų8446%0.4642%0.422SS..Hα-helixtrans-57.3-28174.8-70.9-166178.3-163.7-4.7113.4A725 I751R721-A725 WeakPolarHBondContact O-CB 3.48Å; R721-A725 PolarHBondContact O-N 3.21Å; R721-A725 VanDerWaalsContact O-N 3.09Å; R721-I751 HydrophobicContact CB-CG2 4.02Å; R721-I751 WeakPolarHBondContact O-CG2 3.4Å
722A71.9Confident70.6Confident47 Ų4783.4 Ų83.439%0.38842%0.417SS..Hα-helixtrans-69.8-37.5179.300000112.9D720 K726D720-A722 PolarHBondContact O-N 2.95Å; D720-A722 VanDerWaalsContact O-N 3.1Å; A722-K726 PolarHBondContact O-N 2.87Å
723S71.2Confident72Confident56 Ų5688.4 Ų88.439%0.39244%0.435SS..Hα-helixtrans-78.4-33.1177.7-530000111.9D720 K726 K727D720-S723 VanDerWaalsContact CG-CB 3.42Å; D720-S723 PolarHBondContact O-N 3.46Å; D720-S723 VanDerWaalsContact O-N 3.16Å; D720-S723 WeakPolarHBondContact OD1-CB 3.34Å; D720-S723 PolarHBondContact OD1-OG 2.99Å; D720-S723 VanDerWaalsContact OD2-CB 3.27Å; D720-S723 WeakPolarHBondContact OD2-CB 3.43Å; S723-K726 WeakPolarHBondContact O-CB 3.33Å; S723-K726 PolarHBondContact O-N 3.46Å; S723-K727 PolarHBondContact O-N 3.28Å
724E78.7Confident73.5Confident105 Ų10591.9 Ų91.949%0.49145%0.449SS..Hα-helixtrans-56.1-51.5169.1-174.2-177.1-176.600110.6D720 K726 K727 I728 I751D720-E724 PolarHBondContact O-N 3.15Å; E724-K726 VanDerWaalsContact C-N 3.31Å; E724-K726 PolarHBondContact O-N 3.41Å; E724-K727 WeakPolarHBondContact O-CB 3.47Å; E724-K727 PolarHBondContact O-N 2.84Å; E724-I728 HydrophobicContact CG-CD1 4.4Å; E724-I728 WeakPolarHBondContact O-CG1 3.48Å; E724-I728 PolarHBondContact O-N 3.31Å; E724-I728 VanDerWaalsContact O-N 3.08Å; E724-I751 HydrophobicContact CG-CD1 4.08Å
725A83.3Confident74.9Confident0 Ų090.8 Ų90.80%044%0.441CS..Hα-helixtrans-59.4-40.7175.900000112.2R721 K727 I728 V729 I751 Y752R721-A725 WeakPolarHBondContact O-CB 3.48Å; R721-A725 PolarHBondContact O-N 3.21Å; R721-A725 VanDerWaalsContact O-N 3.09Å; A725-K727 VanDerWaalsContact C-N 3.34Å; A725-K727 PolarHBondContact O-N 2.86Å; A725-I728 PolarHBondContact O-N 3.12Å; A725-V729 WeakPolarHBondContact O-CG2 3.41Å; A725-V729 PolarHBondContact O-N 2.97Å; A725-I751 HydrophobicContact CB-CB 4Å; A725-I751 HydrophobicContact CB-CG2 3.76Å; A725-Y752 HydrophobicContact CB-CD1 3.75Å; A725-Y752 HydrophobicContact CB-CD2 3.87Å; A725-Y752 HydrophobicContact CB-CE1 3.45Å; A725-Y752 VanDerWaalsContact CB-CE1 3.45Å; A725-Y752 HydrophobicContact CB-CE2 3.59Å; A725-Y752 HydrophobicContact CB-CG 3.94Å
726K84.2Confident76.4Confident132 Ų13292.8 Ų92.857%0.57446%0.457SS*.Hα-helixtrans-61.2-41.2176.9-174.8-178.5176.6-174.30111.9A722 S723 E724 V729 L730 Y752A722-K726 PolarHBondContact O-N 2.87Å; S723-K726 WeakPolarHBondContact O-CB 3.33Å; S723-K726 PolarHBondContact O-N 3.46Å; E724-K726 VanDerWaalsContact C-N 3.31Å; E724-K726 PolarHBondContact O-N 3.41Å; K726-V729 PolarHBondContact O-N 3.28Å; K726-L730 WeakPolarHBondContact O-CG 3.36Å; K726-L730 PolarHBondContact O-N 3.39Å; K726-Y752 WeakPolarHBondContact CA-OH 3.38Å; K726-Y752 PolarHBondContact N-OH 2.8Å
727K83.2Confident78Confident166 Ų16691.9 Ų91.972%0.72246%0.456SS*.Hα-helixtrans-63.9-42177-170.5178.9-179.1178.20111.4S723 E724 A725 V729 L730 S731S723-K727 PolarHBondContact O-N 3.28Å; E724-K727 WeakPolarHBondContact O-CB 3.47Å; E724-K727 PolarHBondContact O-N 2.84Å; A725-K727 VanDerWaalsContact C-N 3.34Å; A725-K727 PolarHBondContact O-N 2.86Å; K727-V729 VanDerWaalsContact C-N 3.35Å; K727-L730 PolarHBondContact O-N 2.96Å; K727-S731 PolarHBondContact O-N 2.96Å; K727-S731 PolarHBondContact O-OG 2.87Å
728I88.6Confident79.8Confident31 Ų3187.9 Ų87.916%0.15944%0.439CS..Hα-helixtrans-66-37.7176.6-63.9173.6000111.4E724 A725 S731 A732 L744 N747 A748 I751E724-I728 HydrophobicContact CG-CD1 4.4Å; E724-I728 WeakPolarHBondContact O-CG1 3.48Å; E724-I728 PolarHBondContact O-N 3.31Å; E724-I728 VanDerWaalsContact O-N 3.08Å; A725-I728 PolarHBondContact O-N 3.12Å; I728-S731 WeakPolarHBondContact CA-OG 3.11Å; I728-S731 PolarHBondContact O-N 3.39Å; I728-S731 PolarHBondContact O-OG 3.06Å; I728-A732 WeakPolarHBondContact O-CB 3.42Å; I728-A732 PolarHBondContact O-N 2.93Å; I728-L744 HydrophobicContact CG2-CB 4.08Å; I728-L744 HydrophobicContact CG2-CD2 4.15Å; I728-L744 WeakPolarHBondContact CG2-O 3.28Å; I728-N747 HydrophobicContact CG2-CB 4.38Å; I728-A748 HydrophobicContact CB-CB 4.26Å; I728-A748 HydrophobicContact CG2-CB 3.93Å; I728-I751 HydrophobicContact CD1-CD1 3.38Å
729V89.2Confident81.7Confident30 Ų3084.5 Ų84.518%0.18243%0.43CS..Hα-helixtrans-62.7-45.7173.5173.20000110.6A725 K726 K727 S731 A732 Y733 A748 Y752A725-V729 WeakPolarHBondContact O-CG2 3.41Å; A725-V729 PolarHBondContact O-N 2.97Å; K726-V729 PolarHBondContact O-N 3.28Å; K727-V729 VanDerWaalsContact C-N 3.35Å; V729-S731 PolarHBondContact O-N 3.34Å; V729-A732 WeakPolarHBondContact O-CB 3.45Å; V729-A732 PolarHBondContact O-N 3.36Å; V729-Y733 HydrophobicContact CG1-CD2 4.05Å; V729-Y733 HydrophobicContact CG1-CE2 3.78Å; V729-Y733 VanDerWaalsContact O-CD2 3.25Å; V729-Y733 WeakPolarHBondContact O-CD2 3.41Å; V729-Y733 PolarHBondContact O-N 3.49Å; V729-A748 HydrophobicContact CG2-CB 3.6Å; V729-Y752 HydrophobicContact CG2-CE2 4.01Å
730L88Confident83.5Confident103 Ų10379.7 Ų79.754%0.53941%0.408SS..Hα-helixtrans-61.8-42178.1-72.3170000112.1K726 K727 A732 Y733 Q734K726-L730 WeakPolarHBondContact O-CG 3.36Å; K726-L730 PolarHBondContact O-N 3.39Å; K727-L730 PolarHBondContact O-N 2.96Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 3.32Å; L730-Y733 PolarHBondContact O-N 2.86Å; L730-Q734 PolarHBondContact O-N 2.98Å
731S87.3Confident84.8Confident37 Ų3778 Ų7826%0.25940%0.396SS..Hα-helixtrans-65.8-35.9175.363.30000112.2K727 I728 V729 Y733 Q734 E735K727-S731 PolarHBondContact O-N 2.96Å; K727-S731 PolarHBondContact O-OG 2.87Å; I728-S731 WeakPolarHBondContact CA-OG 3.11Å; I728-S731 PolarHBondContact O-N 3.39Å; I728-S731 PolarHBondContact O-OG 3.06Å; V729-S731 PolarHBondContact O-N 3.34Å; S731-Y733 VanDerWaalsContact C-N 3.28Å; S731-Y733 PolarHBondContact O-N 2.87Å; S731-Q734 WeakPolarHBondContact O-CB 3.46Å; S731-Q734 PolarHBondContact O-N 2.95Å; S731-E735 PolarHBondContact O-N 3.17Å; S731-E735 VanDerWaalsContact O-N 3.14Å
732A89.4Confident85.9Confident1 Ų173.5 Ų73.51%0.00838%0.38CS..Hα-helixtrans-59.8-36.2175.600000113.2I728 V729 L730 Q734 E735 R741 L744 L745I728-A732 WeakPolarHBondContact O-CB 3.42Å; I728-A732 PolarHBondContact O-N 2.93Å; V729-A732 WeakPolarHBondContact O-CB 3.45Å; V729-A732 PolarHBondContact O-N 3.36Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 3.32Å; A732-Q734 VanDerWaalsContact C-N 3.3Å; A732-E735 PolarHBondContact O-N 2.86Å; A732-R741 HydrophobicContact CB-CG 4.36Å; A732-R741 VanDerWaalsContact O-CG 3.24Å; A732-R741 WeakPolarHBondContact O-CG 3.44Å; A732-R741 PolarHBondContact O-NE 3.26Å; A732-L744 HydrophobicContact CB-CB 3.67Å; A732-L744 HydrophobicContact CB-CD1 4.23Å; A732-L745 HydrophobicContact CB-CD2 4.02Å; A732-L745 HydrophobicContact CB-CG 3.89Å
733Y87.3Confident87Confident131 Ų13174.2 Ų74.251%0.51438%0.38SS..Hα-helixtrans-73.8-20176-79.2-78.5000113.6V729 L730 S731V729-Y733 HydrophobicContact CG1-CD2 4.05Å; V729-Y733 HydrophobicContact CG1-CE2 3.78Å; V729-Y733 VanDerWaalsContact O-CD2 3.25Å; V729-Y733 WeakPolarHBondContact O-CD2 3.41Å; V729-Y733 PolarHBondContact O-N 3.49Å; L730-Y733 PolarHBondContact O-N 2.86Å; S731-Y733 VanDerWaalsContact C-N 3.28Å; S731-Y733 PolarHBondContact O-N 2.87Å
734Q87.5Confident88Confident158 Ų15873.2 Ų73.274%0.73837%0.37SS*.Hα-helixtrans-85.2-20.3174.9-66.1174.3-13.600112.8L730 S731 A732L730-Q734 PolarHBondContact O-N 2.98Å; S731-Q734 WeakPolarHBondContact O-CB 3.46Å; S731-Q734 PolarHBondContact O-N 2.95Å; A732-Q734 VanDerWaalsContact C-N 3.3Å
735E86.9Confident88.7Confident74 Ų7468.4 Ų68.435%0.34635%0.348SS..  trans-68.4130.2178.1-78.6-59.8154.800112.9S731 A732 R741 L744S731-E735 PolarHBondContact O-N 3.17Å; S731-E735 VanDerWaalsContact O-N 3.14Å; A732-E735 PolarHBondContact O-N 2.86Å; E735-R741 HydrophobicContact CB-CB 4.25Å; E735-R741 VanDerWaalsContact O-CZ 3.32Å; E735-R741 PolarHBondContact O-NE 3.29Å; E735-R741 PolarHBondContact O-NH2 3.14Å; E735-L744 HydrophobicContact CG-CD1 3.47Å; E735-L744 VanDerWaalsContact CG-CD1 3.47Å
736N82.5Confident89.3Confident163 Ų16372.5 Ų72.587%0.87237%0.367SS*.  trans-81.4-27.3176-69.3-36.2000113
737S88.2Confident89.7Confident51 Ų5170 Ų7036%0.35736%0.36SS..  trans-81.5124.3-179.9173.50000110.7V739 S740 R741S737-V739 PolarHBondContact O-N 2.91Å; S737-V739 PolarHBondContact OG-N 3.12Å; S737-S740 WeakPolarHBondContact CB-OG 2.86Å; S737-S740 PolarHBondContact O-N 2.91Å; S737-S740 PolarHBondContact OG-N 3.5Å; S737-S740 PolarHBondContact OG-OG 3.14Å; S737-R741 WeakPolarHBondContact O-CB 3.11Å; S737-R741 PolarHBondContact O-N 3.06Å
738L89.2Confident90.1Very high43 Ų4362 Ų6223%0.22533%0.325CS..Hα-helixtrans-57.7-37.2174.4176.561.9000111.8L742 L771 V814L738-L742 HydrophobicContact CD1-CD1 4.12Å; L738-L742 HydrophobicContact CD1-CG 4.07Å; L738-L742 HydrophobicContact CG-CD1 4.06Å; L738-L742 HydrophobicContact CG-CG 4.42Å; L738-L742 WeakPolarHBondContact O-CB 3.04Å; L738-L742 WeakPolarHBondContact O-CG 3.31Å; L738-L742 PolarHBondContact O-N 2.84Å; L738-L771 HydrophobicContact CD1-CB 4.04Å; L738-L771 HydrophobicContact CD1-CD1 4.4Å; L738-L771 HydrophobicContact CD1-CD2 4.39Å; L738-V814 HydrophobicContact CD1-CG1 3.99Å; L738-V814 HydrophobicContact CD2-CG2 4.34Å
739V91.6Very high90.3Very high104 Ų10461.5 Ų61.563%0.6332%0.322SS*.Hα-helixtrans-66-48.7-179.7-179.50000110.2S737 R741 L742 T743S737-V739 PolarHBondContact O-N 2.91Å; S737-V739 PolarHBondContact OG-N 3.12Å; V739-R741 VanDerWaalsContact C-N 3.34Å; V739-R741 PolarHBondContact O-N 3.04Å; V739-L742 PolarHBondContact O-N 2.55Å; V739-T743 WeakPolarHBondContact O-CG2 3.32Å; V739-T743 PolarHBondContact O-N 2.67Å; V739-T743 PolarHBondContact O-OG1 3.23Å
740S90.5Very high90.4Very high43 Ų4365.4 Ų65.430%0.30134%0.338SS..Hα-helixtrans-64.1-38.9177.9-52.70000112.2S737 L742 T743 L744S737-S740 WeakPolarHBondContact CB-OG 2.86Å; S737-S740 PolarHBondContact O-N 2.91Å; S737-S740 PolarHBondContact OG-N 3.5Å; S737-S740 PolarHBondContact OG-OG 3.14Å; S740-L742 PolarHBondContact O-N 3.2Å; S740-T743 WeakPolarHBondContact CA-OG1 3.42Å; S740-T743 PolarHBondContact O-N 3.27Å; S740-T743 PolarHBondContact O-OG1 3.4Å; S740-L744 WeakPolarHBondContact O-CG 3.24Å; S740-L744 PolarHBondContact O-N 3.36Å
741R92.7Very high90.4Very high42 Ų4261.5 Ų61.516%0.15832%0.318CS..Hα-helixtrans-63-42.6175.4-179.6175.2-62.5175.1-0.7111.7A732 E735 S737 V739 L745 L771A732-R741 HydrophobicContact CB-CG 4.36Å; A732-R741 VanDerWaalsContact O-CG 3.24Å; A732-R741 WeakPolarHBondContact O-CG 3.44Å; A732-R741 PolarHBondContact O-NE 3.26Å; E735-R741 HydrophobicContact CB-CB 4.25Å; E735-R741 VanDerWaalsContact O-CZ 3.32Å; E735-R741 PolarHBondContact O-NE 3.29Å; E735-R741 PolarHBondContact O-NH2 3.14Å; S737-R741 WeakPolarHBondContact O-CB 3.11Å; S737-R741 PolarHBondContact O-N 3.06Å; V739-R741 VanDerWaalsContact C-N 3.34Å; V739-R741 PolarHBondContact O-N 3.04Å; R741-L745 HydrophobicContact CG-CD1 4.17Å; R741-L745 WeakPolarHBondContact O-CB 3.33Å; R741-L745 VanDerWaalsContact O-CG 3.31Å; R741-L745 WeakPolarHBondContact O-CG 3.4Å; R741-L745 PolarHBondContact O-N 3.24Å; R741-L771 HydrophobicContact CG-CD1 4.29Å
742L93.3Very high90.6Very high26 Ų2660.6 Ų60.614%0.13631%0.309CS..Hα-helixtrans-65.5-41.7177.5-74.1173000111.9L738 V739 S740 L745 Q746 I768 L771 K772L738-L742 HydrophobicContact CD1-CD1 4.12Å; L738-L742 HydrophobicContact CD1-CG 4.07Å; L738-L742 HydrophobicContact CG-CD1 4.06Å; L738-L742 HydrophobicContact CG-CG 4.42Å; L738-L742 WeakPolarHBondContact O-CB 3.04Å; L738-L742 WeakPolarHBondContact O-CG 3.31Å; L738-L742 PolarHBondContact O-N 2.84Å; V739-L742 PolarHBondContact O-N 2.55Å; S740-L742 PolarHBondContact O-N 3.2Å; L742-L745 PolarHBondContact O-N 3.49Å; L742-Q746 WeakPolarHBondContact O-CB 3.4Å; L742-Q746 VanDerWaalsContact O-CG 3.25Å; L742-Q746 WeakPolarHBondContact O-CG 3.32Å; L742-Q746 PolarHBondContact O-N 2.9Å; L742-I768 HydrophobicContact CD2-CB 4.28Å; L742-I768 HydrophobicContact CD2-CG1 4.2Å; L742-I768 HydrophobicContact CD2-CG2 4.06Å; L742-L771 HydrophobicContact CD2-CB 4.1Å; L742-L771 HydrophobicContact CD2-CD1 4.12Å; L742-K772 HydrophobicContact CD1-CG 4.48Å
743T93.7Very high90.6Very high63 Ų6367.6 Ų67.639%0.38734%0.335SS..Hα-helixtrans-66.1-43.1178.254.40000111.8V739 S740 L745 Q746 N747V739-T743 WeakPolarHBondContact O-CG2 3.32Å; V739-T743 PolarHBondContact O-N 2.67Å; V739-T743 PolarHBondContact O-OG1 3.23Å; S740-T743 WeakPolarHBondContact CA-OG1 3.42Å; S740-T743 PolarHBondContact O-N 3.27Å; S740-T743 PolarHBondContact O-OG1 3.4Å; T743-L745 PolarHBondContact O-N 3.47Å; T743-Q746 WeakPolarHBondContact O-CB 3.44Å; T743-Q746 PolarHBondContact O-N 3.49Å; T743-N747 VanDerWaalsContact O-CG 3.23Å; T743-N747 PolarHBondContact O-N 3.16Å; T743-N747 PolarHBondContact O-OD1 3.33Å
744L93.3Very high90.5Very high35 Ų3566.2 Ų66.218%0.18333%0.333CS..Hα-helixtrans-62.7-42.8175.3-69.7173.2000112I728 A732 E735 S740 Q746 N747 A748I728-L744 HydrophobicContact CG2-CB 4.08Å; I728-L744 HydrophobicContact CG2-CD2 4.15Å; I728-L744 WeakPolarHBondContact CG2-O 3.28Å; A732-L744 HydrophobicContact CB-CB 3.67Å; A732-L744 HydrophobicContact CB-CD1 4.23Å; E735-L744 HydrophobicContact CG-CD1 3.47Å; E735-L744 VanDerWaalsContact CG-CD1 3.47Å; S740-L744 WeakPolarHBondContact O-CG 3.24Å; S740-L744 PolarHBondContact O-N 3.36Å; L744-Q746 VanDerWaalsContact C-N 3.3Å; L744-Q746 PolarHBondContact O-N 3.15Å; L744-N747 PolarHBondContact O-N 2.83Å; L744-A748 PolarHBondContact O-N 3.04Å
745L93.4Very high90.2Very high4 Ų460.6 Ų60.62%0.02131%0.312CS..Hα-helixtrans-65-33.7175.7-73.1172.4000112.6A732 R741 L742 T743 E749 Q767 I768 L771A732-L745 HydrophobicContact CB-CD2 4.02Å; A732-L745 HydrophobicContact CB-CG 3.89Å; R741-L745 HydrophobicContact CG-CD1 4.17Å; R741-L745 WeakPolarHBondContact O-CB 3.33Å; R741-L745 VanDerWaalsContact O-CG 3.31Å; R741-L745 WeakPolarHBondContact O-CG 3.4Å; R741-L745 PolarHBondContact O-N 3.24Å; L742-L745 PolarHBondContact O-N 3.49Å; T743-L745 PolarHBondContact O-N 3.47Å; L745-E749 WeakPolarHBondContact O-CB 3.45Å; L745-E749 PolarHBondContact O-N 3.07Å; L745-Q767 HydrophobicContact CD1-CB 4.43Å; L745-Q767 HydrophobicContact CD1-CG 3.81Å; L745-I768 HydrophobicContact CB-CD1 3.98Å; L745-I768 HydrophobicContact CB-CG1 3.8Å; L745-I768 HydrophobicContact CD1-CG1 4.4Å; L745-L771 HydrophobicContact CD1-CD1 3.87Å
746Q94.3Very high90Very high85 Ų8566 Ų6640%0.39733%0.334SS..Hα-helixtrans-67.1-42.1173.6-76.5175.3-41.700111.4L742 T743 L744 E749 E750 I768L742-Q746 WeakPolarHBondContact O-CB 3.4Å; L742-Q746 VanDerWaalsContact O-CG 3.25Å; L742-Q746 WeakPolarHBondContact O-CG 3.32Å; L742-Q746 PolarHBondContact O-N 2.9Å; T743-Q746 WeakPolarHBondContact O-CB 3.44Å; T743-Q746 PolarHBondContact O-N 3.49Å; L744-Q746 VanDerWaalsContact C-N 3.3Å; L744-Q746 PolarHBondContact O-N 3.15Å; Q746-E749 WeakPolarHBondContact O-CB 2.93Å; Q746-E749 PolarHBondContact O-N 2.85Å; Q746-E750 PolarHBondContact O-N 3.36Å; Q746-I768 HydrophobicContact CB-CD1 4.46Å; Q746-I768 HydrophobicContact CG-CD1 3.65Å
747N92.7Very high90.2Very high79 Ų7960.8 Ų60.842%0.42231%0.306SS..Hα-helixtrans-62.5-44.4175-65.9-1.2000110.8I728 T743 L744 E749 E750 I751I728-N747 HydrophobicContact CG2-CB 4.38Å; T743-N747 VanDerWaalsContact O-CG 3.23Å; T743-N747 PolarHBondContact O-N 3.16Å; T743-N747 PolarHBondContact O-OD1 3.33Å; L744-N747 PolarHBondContact O-N 2.83Å; N747-E749 PolarHBondContact O-N 3.06Å; N747-E750 PolarHBondContact O-N 2.91Å; N747-I751 WeakPolarHBondContact O-CG1 3.49Å; N747-I751 PolarHBondContact O-N 3.21Å
748A91.8Very high90.2Very high0 Ų063.4 Ų63.40%032%0.316CS..Hα-helixtrans-62.8-40.8174.600000112.6I728 V729 L744 E750 I751 Y752I728-A748 HydrophobicContact CB-CB 4.26Å; I728-A748 HydrophobicContact CG2-CB 3.93Å; V729-A748 HydrophobicContact CG2-CB 3.6Å; L744-A748 PolarHBondContact O-N 3.04Å; A748-E750 VanDerWaalsContact C-N 3.3Å; A748-E750 PolarHBondContact O-N 2.84Å; A748-I751 PolarHBondContact O-N 2.81Å; A748-Y752 WeakPolarHBondContact O-CB 3.46Å; A748-Y752 WeakPolarHBondContact O-CD2 3.47Å; A748-Y752 PolarHBondContact O-N 2.9Å
749E93Very high90.2Very high20 Ų2067.3 Ų67.39%0.09333%0.332CS..Hα-helixtrans-57.1-44.7173.5-179.7-174.9160.900111L745 Q746 N747 Y752 R753 A761 C764 N765 I768L745-E749 WeakPolarHBondContact O-CB 3.45Å; L745-E749 PolarHBondContact O-N 3.07Å; Q746-E749 WeakPolarHBondContact O-CB 2.93Å; Q746-E749 PolarHBondContact O-N 2.85Å; N747-E749 PolarHBondContact O-N 3.06Å; E749-Y752 PolarHBondContact O-N 2.91Å; E749-R753 WeakPolarHBondContact O-CB 3.28Å; E749-R753 PolarHBondContact O-N 3.27Å; E749-R753 IonicContact OE1-CZ 3.27Å; E749-R753 IonicContact OE1-NH1 3.23Å; E749-R753 IonicContact OE1-NH2 3.33Å; E749-R753 PolarHBondContact OE1-NH2 2.89Å; E749-A761 HydrophobicContact CG-CB 4.41Å; E749-C764 HydrophobicContact CB-CB 3.8Å; E749-C764 HydrophobicContact CG-CB 4.44Å; E749-N765 PolarHBondContact OE1-ND2 3.11Å; E749-N765 PolarHBondContact OE2-ND2 3.23Å; E749-I768 WeakPolarHBondContact OE2-CD1 3.18Å
750E91.7Very high90.2Very high111 Ų11165.9 Ų65.952%0.51932%0.319SS..Hα-helixtrans-66.1-44-179.6-168.9170.9-17800111.9Q746 N747 A748 R753 Q754Q746-E750 PolarHBondContact O-N 3.36Å; N747-E750 PolarHBondContact O-N 2.91Å; A748-E750 VanDerWaalsContact C-N 3.3Å; A748-E750 PolarHBondContact O-N 2.84Å; E750-R753 PolarHBondContact O-N 2.88Å; E750-Q754 WeakPolarHBondContact O-CB 3.4Å; E750-Q754 VanDerWaalsContact O-CG 3.27Å; E750-Q754 WeakPolarHBondContact O-CG 3.39Å; E750-Q754 PolarHBondContact O-N 2.87Å
751I88.9Confident90.2Very high22 Ų2264.1 Ų64.111%0.11331%0.307CS..Hα-helixtrans-65.2-41176.3-61.1172.5000111.2R721 E724 A725 I728 N747 A748 R753 Q754 S755R721-I751 HydrophobicContact CB-CG2 4.02Å; R721-I751 WeakPolarHBondContact O-CG2 3.4Å; E724-I751 HydrophobicContact CG-CD1 4.08Å; A725-I751 HydrophobicContact CB-CB 4Å; A725-I751 HydrophobicContact CB-CG2 3.76Å; I728-I751 HydrophobicContact CD1-CD1 3.38Å; N747-I751 WeakPolarHBondContact O-CG1 3.49Å; N747-I751 PolarHBondContact O-N 3.21Å; A748-I751 PolarHBondContact O-N 2.81Å; I751-R753 VanDerWaalsContact C-N 3.33Å; I751-R753 PolarHBondContact O-N 3.21Å; I751-Q754 PolarHBondContact O-N 3.18Å; I751-S755 WeakPolarHBondContact O-CB 3.48Å; I751-S755 PolarHBondContact O-N 2.95Å; I751-S755 PolarHBondContact O-OG 3.25Å
752Y90.4Very high90.2Very high18 Ų1868 Ų687%0.07133%0.327CS..Hα-helixtrans-64.1-37.6174.6-77.7-50.9000112.4A725 K726 V729 A748 E749 S755 K756 N757 M760A725-Y752 HydrophobicContact CB-CD1 3.75Å; A725-Y752 HydrophobicContact CB-CD2 3.87Å; A725-Y752 HydrophobicContact CB-CE1 3.45Å; A725-Y752 VanDerWaalsContact CB-CE1 3.45Å; A725-Y752 HydrophobicContact CB-CE2 3.59Å; A725-Y752 HydrophobicContact CB-CG 3.94Å; K726-Y752 WeakPolarHBondContact CA-OH 3.38Å; K726-Y752 PolarHBondContact N-OH 2.8Å; V729-Y752 HydrophobicContact CG2-CE2 4.01Å; A748-Y752 WeakPolarHBondContact O-CB 3.46Å; A748-Y752 WeakPolarHBondContact O-CD2 3.47Å; A748-Y752 PolarHBondContact O-N 2.9Å; E749-Y752 PolarHBondContact O-N 2.91Å; Y752-S755 VanDerWaalsContact CA-OG 3.3Å; Y752-S755 WeakPolarHBondContact CA-OG 3.47Å; Y752-S755 PolarHBondContact O-N 3.08Å; Y752-S755 PolarHBondContact O-OG 3.4Å; Y752-S755 VanDerWaalsContact O-OG 3.06Å; Y752-K756 PolarHBondContact O-N 3.07Å; Y752-N757 HydrophobicContact CD1-CB 4Å; Y752-N757 PolarHBondContact O-N 3.28Å; Y752-M760 HydrophobicContact CD1-CB 3.65Å; Y752-M760 HydrophobicContact CD1-CG 4.32Å; Y752-M760 HydrophobicContact CD2-CB 3.65Å; Y752-M760 HydrophobicContact CE1-CB 3.85Å; Y752-M760 HydrophobicContact CE1-CG 4.11Å; Y752-M760 HydrophobicContact CE2-CB 3.83Å; Y752-M760 HydrophobicContact CG-CB 3.57Å
753R89Confident90.2Very high147 Ų14771.3 Ų71.356%0.55534%0.341SS*.Hα-helixtrans-66.8-43.4174.8-173.2176.8-71.4151.46.1111.5E749 E750 I751 S755 K756 A761E749-R753 WeakPolarHBondContact O-CB 3.28Å; E749-R753 PolarHBondContact O-N 3.27Å; E749-R753 IonicContact OE1-CZ 3.27Å; E749-R753 IonicContact OE1-NH1 3.23Å; E749-R753 IonicContact OE1-NH2 3.33Å; E749-R753 PolarHBondContact OE1-NH2 2.89Å; E750-R753 PolarHBondContact O-N 2.88Å; I751-R753 VanDerWaalsContact C-N 3.33Å; I751-R753 PolarHBondContact O-N 3.21Å; R753-S755 VanDerWaalsContact C-N 3.25Å; R753-S755 PolarHBondContact O-N 2.78Å; R753-K756 PolarHBondContact O-N 3.42Å; R753-A761 HydrophobicContact CB-CB 4.43Å
754Q86.9Confident90.1Very high102 Ų10268.7 Ų68.748%0.47733%0.326SS..Hα-helixtrans-65.3-29.1176.6-70179.518.600112.5E750 I751 K756E750-Q754 WeakPolarHBondContact O-CB 3.4Å; E750-Q754 VanDerWaalsContact O-CG 3.27Å; E750-Q754 WeakPolarHBondContact O-CG 3.39Å; E750-Q754 PolarHBondContact O-N 2.87Å; I751-Q754 PolarHBondContact O-N 3.18Å; Q754-K756 VanDerWaalsContact C-N 3.34Å
755S80.5Confident90.2Very high41 Ų4169.3 Ų69.329%0.28733%0.329SS..THydrogen-bonded Turntrans-88.39.3175.9560000114.5I751 Y752 R753 N757I751-S755 WeakPolarHBondContact O-CB 3.48Å; I751-S755 PolarHBondContact O-N 2.95Å; I751-S755 PolarHBondContact O-OG 3.25Å; Y752-S755 VanDerWaalsContact CA-OG 3.3Å; Y752-S755 WeakPolarHBondContact CA-OG 3.47Å; Y752-S755 PolarHBondContact O-N 3.08Å; Y752-S755 PolarHBondContact O-OG 3.4Å; Y752-S755 VanDerWaalsContact O-OG 3.06Å; R753-S755 VanDerWaalsContact C-N 3.25Å; R753-S755 PolarHBondContact O-N 2.78Å; S755-N757 PolarHBondContact O-N 3.43Å
756K83.4Confident90.1Very high187 Ų18770.1 Ų70.181%0.81334%0.336SS*.THydrogen-bonded Turntrans57.525.7-177.5-57.5-178.7178.6177.50114.2Y752 R753 Q754 D758Y752-K756 PolarHBondContact O-N 3.07Å; R753-K756 PolarHBondContact O-N 3.42Å; Q754-K756 VanDerWaalsContact C-N 3.34Å; K756-D758 PolarHBondContact O-N 2.95Å
757N85.6Confident90.1Very high54 Ų5467.8 Ų67.829%0.28933%0.326SS..  trans-93.672.8173.6-166.3-21000110.3Y752 S755 F759 M760 A761Y752-N757 HydrophobicContact CD1-CB 4Å; Y752-N757 PolarHBondContact O-N 3.28Å; S755-N757 PolarHBondContact O-N 3.43Å; N757-F759 PolarHBondContact O-N 3.25Å; N757-M760 WeakPolarHBondContact ND2-CG 3.47Å; N757-M760 PolarHBondContact O-N 3.01Å; N757-M760 WeakPolarHBondContact OD1-CG 3.13Å; N757-M760 PolarHBondContact OD1-N 3.48Å; N757-A761 PolarHBondContact O-N 3.19Å
758D87.9Confident90.1Very high106 Ų10664.3 Ų64.357%0.56731%0.307SS*.Hα-helixtrans-58.2-36.5-174.4-70.1-29.1000112.8K756 Q762K756-D758 PolarHBondContact O-N 2.95Å; D758-Q762 WeakPolarHBondContact O-CB 3.49Å; D758-Q762 WeakPolarHBondContact O-CG 3.35Å; D758-Q762 PolarHBondContact O-N 3.44Å
759F90.8Very high90.3Very high124 Ų12468.7 Ų68.754%0.54432%0.323SS..Hα-helixtrans-61.4-51.8178.8178.5-97.5000111.1N757 Q762 Q763N757-F759 PolarHBondContact O-N 3.25Å; F759-Q762 PolarHBondContact O-N 3.2Å; F759-Q763 HydrophobicContact CD1-CG 4.29Å; F759-Q763 HydrophobicContact CE1-CG 3.89Å; F759-Q763 HydrophobicContact CE2-CG 4.49Å; F759-Q763 HydrophobicContact CZ-CG 4Å; F759-Q763 WeakPolarHBondContact O-CG 3.31Å; F759-Q763 PolarHBondContact O-N 2.56Å
760M90.4Very high90.3Very high75 Ų7568 Ų6837%0.36932%0.32SS..Hα-helixtrans-67.6-38.1-179.2-67.9-60.7178.800112.1Y752 N757 Q762 Q763 C764Y752-M760 HydrophobicContact CD1-CB 3.65Å; Y752-M760 HydrophobicContact CD1-CG 4.32Å; Y752-M760 HydrophobicContact CD2-CB 3.65Å; Y752-M760 HydrophobicContact CE1-CB 3.85Å; Y752-M760 HydrophobicContact CE1-CG 4.11Å; Y752-M760 HydrophobicContact CE2-CB 3.83Å; Y752-M760 HydrophobicContact CG-CB 3.57Å; N757-M760 WeakPolarHBondContact ND2-CG 3.47Å; N757-M760 PolarHBondContact O-N 3.01Å; N757-M760 WeakPolarHBondContact OD1-CG 3.13Å; N757-M760 PolarHBondContact OD1-N 3.48Å; M760-Q762 VanDerWaalsContact C-N 3.32Å; M760-Q762 PolarHBondContact O-N 3.35Å; M760-Q763 PolarHBondContact O-N 2.88Å; M760-C764 PolarHBondContact O-N 2.83Å; M760-C764 PolarHBondContact O-SG 3.09Å
761A91.6Very high90.4Very high5 Ų562.7 Ų62.74%0.04130%0.296CS..Hα-helixtrans-59.6-43173.100000111.7E749 R753 N757 Q763 C764 N765E749-A761 HydrophobicContact CG-CB 4.41Å; R753-A761 HydrophobicContact CB-CB 4.43Å; N757-A761 PolarHBondContact O-N 3.19Å; A761-Q763 PolarHBondContact O-N 2.83Å; A761-C764 PolarHBondContact O-N 2.85Å; A761-N765 WeakPolarHBondContact O-CB 3.32Å; A761-N765 PolarHBondContact O-N 2.7Å
762Q92.4Very high90.6Very high125 Ų12567 Ų6758%0.58431%0.313SS*.Hα-helixtrans-64.5-37.1175.2-74.6174.514.900112.6D758 F759 M760 N765 A766D758-Q762 WeakPolarHBondContact O-CB 3.49Å; D758-Q762 WeakPolarHBondContact O-CG 3.35Å; D758-Q762 PolarHBondContact O-N 3.44Å; F759-Q762 PolarHBondContact O-N 3.2Å; M760-Q762 VanDerWaalsContact C-N 3.32Å; M760-Q762 PolarHBondContact O-N 3.35Å; Q762-N765 PolarHBondContact O-N 3.09Å; Q762-A766 VanDerWaalsContact O-CB 3.3Å; Q762-A766 WeakPolarHBondContact O-CB 3.47Å; Q762-A766 PolarHBondContact O-N 3.32Å
763Q92.7Very high90.7Very high94 Ų9466.8 Ų66.844%0.43931%0.313SS..Hα-helixtrans-67.5-43.7175.8-64.1-46.9-47.600112.1F759 M760 A761 N765 A766 Q767F759-Q763 HydrophobicContact CD1-CG 4.29Å; F759-Q763 HydrophobicContact CE1-CG 3.89Å; F759-Q763 HydrophobicContact CE2-CG 4.49Å; F759-Q763 HydrophobicContact CZ-CG 4Å; F759-Q763 WeakPolarHBondContact O-CG 3.31Å; F759-Q763 PolarHBondContact O-N 2.56Å; M760-Q763 PolarHBondContact O-N 2.88Å; A761-Q763 PolarHBondContact O-N 2.83Å; Q763-N765 VanDerWaalsContact C-N 3.32Å; Q763-N765 PolarHBondContact O-N 2.94Å; Q763-A766 PolarHBondContact O-N 3Å; Q763-Q767 WeakPolarHBondContact O-CB 3.47Å; Q763-Q767 PolarHBondContact O-N 2.86Å
764C92.7Very high90.9Very high9 Ų959.8 Ų59.86%0.06129%0.287CS..Hα-helixtrans-57.6-46.7173.1-70.20000111E749 M760 A761 A766 Q767 I768E749-C764 HydrophobicContact CB-CB 3.8Å; E749-C764 HydrophobicContact CG-CB 4.44Å; M760-C764 PolarHBondContact O-N 2.83Å; M760-C764 PolarHBondContact O-SG 3.09Å; A761-C764 PolarHBondContact O-N 2.85Å; C764-A766 PolarHBondContact O-N 3.46Å; C764-Q767 PolarHBondContact O-N 2.83Å; C764-I768 WeakPolarHBondContact O-CD1 3.45Å; C764-I768 VanDerWaalsContact O-CG1 3.3Å; C764-I768 WeakPolarHBondContact O-CG1 3.47Å; C764-I768 PolarHBondContact O-N 2.78Å
765N93.5Very high91.2Very high48 Ų4855.9 Ų55.926%0.25727%0.271SS..Hα-helixtrans-62.7-42.2177.3-173.5-88.9000113E749 A761 Q762 Q763 Q767 I768 R769E749-N765 PolarHBondContact OE1-ND2 3.11Å; E749-N765 PolarHBondContact OE2-ND2 3.23Å; A761-N765 WeakPolarHBondContact O-CB 3.32Å; A761-N765 PolarHBondContact O-N 2.7Å; Q762-N765 PolarHBondContact O-N 3.09Å; Q763-N765 VanDerWaalsContact C-N 3.32Å; Q763-N765 PolarHBondContact O-N 2.94Å; N765-Q767 VanDerWaalsContact C-N 3.33Å; N765-I768 PolarHBondContact O-N 3.13Å; N765-R769 WeakPolarHBondContact O-CG 3.36Å; N765-R769 PolarHBondContact O-N 2.93Å; N765-R769 PolarHBondContact OD1-NE 3.46Å; N765-R769 PolarHBondContact OD1-NH2 2.88Å
766A92.9Very high91.7Very high20 Ų2058.7 Ų58.717%0.16528%0.277CS..Hα-helixtrans-62.3-41.6176.100000111.3Q762 Q763 C764 R769 L770 F842Q762-A766 VanDerWaalsContact O-CB 3.3Å; Q762-A766 WeakPolarHBondContact O-CB 3.47Å; Q762-A766 PolarHBondContact O-N 3.32Å; Q763-A766 PolarHBondContact O-N 3Å; C764-A766 PolarHBondContact O-N 3.46Å; A766-R769 PolarHBondContact O-N 2.8Å; A766-L770 WeakPolarHBondContact O-CB 3.47Å; A766-L770 PolarHBondContact O-N 2.87Å; A766-F842 HydrophobicContact CB-CE1 4.25Å; A766-F842 WeakPolarHBondContact O-CE1 2.93Å
767Q93.7Very high92Very high37 Ų3749.9 Ų49.917%0.17324%0.239CC..Hα-helixtrans-64.8-42.6175.8-174.562.27.100111.8L745 Q763 C764 N765 R769 L770 L771L745-Q767 HydrophobicContact CD1-CB 4.43Å; L745-Q767 HydrophobicContact CD1-CG 3.81Å; Q763-Q767 WeakPolarHBondContact O-CB 3.47Å; Q763-Q767 PolarHBondContact O-N 2.86Å; C764-Q767 PolarHBondContact O-N 2.83Å; N765-Q767 VanDerWaalsContact C-N 3.33Å; Q767-R769 VanDerWaalsContact C-N 3.34Å; Q767-R769 PolarHBondContact O-N 2.78Å; Q767-L770 PolarHBondContact O-N 2.89Å; Q767-L771 HydrophobicContact CG-CD1 4.19Å; Q767-L771 WeakPolarHBondContact O-CB 3.39Å; Q767-L771 VanDerWaalsContact O-CG 3.31Å; Q767-L771 WeakPolarHBondContact O-CG 3.39Å; Q767-L771 PolarHBondContact O-N 3.35Å
768I93.7Very high92.2Very high5 Ų549.8 Ų49.83%0.02624%0.237CC..Hα-helixtrans-57.8-46.3173.7-72.3160.7000111L742 L745 Q746 E749 C764 N765 K772L742-I768 HydrophobicContact CD2-CB 4.28Å; L742-I768 HydrophobicContact CD2-CG1 4.2Å; L742-I768 HydrophobicContact CD2-CG2 4.06Å; L745-I768 HydrophobicContact CB-CD1 3.98Å; L745-I768 HydrophobicContact CB-CG1 3.8Å; L745-I768 HydrophobicContact CD1-CG1 4.4Å; Q746-I768 HydrophobicContact CB-CD1 4.46Å; Q746-I768 HydrophobicContact CG-CD1 3.65Å; E749-I768 WeakPolarHBondContact OE2-CD1 3.18Å; C764-I768 WeakPolarHBondContact O-CD1 3.45Å; C764-I768 VanDerWaalsContact O-CG1 3.3Å; C764-I768 WeakPolarHBondContact O-CG1 3.47Å; C764-I768 PolarHBondContact O-N 2.78Å; N765-I768 PolarHBondContact O-N 3.13Å; I768-K772 HydrophobicContact CG2-CD 4.19Å; I768-K772 WeakPolarHBondContact O-CG 3.26Å; I768-K772 PolarHBondContact O-N 2.81Å; I768-K772 VanDerWaalsContact O-N 3.07Å
769R94Very high92.2Very high92 Ų9252.9 Ų52.935%0.34725%0.245SC..Hα-helixtrans-63.3-41.6177.8-75.9-171.7-79.5149.8-2.3112.1N765 A766 Q767 K772 F773 F842N765-R769 WeakPolarHBondContact O-CG 3.36Å; N765-R769 PolarHBondContact O-N 2.93Å; N765-R769 PolarHBondContact OD1-NE 3.46Å; N765-R769 PolarHBondContact OD1-NH2 2.88Å; A766-R769 PolarHBondContact O-N 2.8Å; Q767-R769 VanDerWaalsContact C-N 3.34Å; Q767-R769 PolarHBondContact O-N 2.78Å; R769-K772 PolarHBondContact O-N 2.86Å; R769-F773 PolarHBondContact O-N 2.79Å; R769-F842 HydrophobicContact CB-CZ 3.97Å
770L94.1Very high92.1Very high6 Ų651.8 Ų51.83%0.03124%0.242CC..Hα-helixtrans-65-47.4-179.9-179.961.6000111.2A766 Q767 K772 F773 Q774 L818 L838 F842A766-L770 WeakPolarHBondContact O-CB 3.47Å; A766-L770 PolarHBondContact O-N 2.87Å; Q767-L770 PolarHBondContact O-N 2.89Å; L770-K772 VanDerWaalsContact C-N 3.31Å; L770-K772 PolarHBondContact O-N 2.83Å; L770-F773 PolarHBondContact O-N 2.9Å; L770-F773 VanDerWaalsContact O-N 3.16Å; L770-Q774 HydrophobicContact CD1-CG 4.33Å; L770-Q774 HydrophobicContact CG-CG 4.5Å; L770-Q774 WeakPolarHBondContact O-CB 3.36Å; L770-Q774 WeakPolarHBondContact O-CG 3.16Å; L770-Q774 PolarHBondContact O-N 3.12Å; L770-L818 HydrophobicContact CD1-CD1 4.1Å; L770-L818 HydrophobicContact CD2-CB 4.19Å; L770-L838 HydrophobicContact CD1-CD1 4.38Å; L770-F842 HydrophobicContact CB-CE1 4.17Å; L770-F842 HydrophobicContact CB-CZ 3.77Å; L770-F842 HydrophobicContact CD1-CZ 4.37Å
771L93.4Very high91.8Very high0 Ų054.1 Ų54.10%025%0.252CS..Hα-helixtrans-60.7-39.6177.4-70.9173.5000111.9L738 R741 L742 L745 Q767 Q774 S775 V814L738-L771 HydrophobicContact CD1-CB 4.04Å; L738-L771 HydrophobicContact CD1-CD1 4.4Å; L738-L771 HydrophobicContact CD1-CD2 4.39Å; R741-L771 HydrophobicContact CG-CD1 4.29Å; L742-L771 HydrophobicContact CD2-CB 4.1Å; L742-L771 HydrophobicContact CD2-CD1 4.12Å; L745-L771 HydrophobicContact CD1-CD1 3.87Å; Q767-L771 HydrophobicContact CG-CD1 4.19Å; Q767-L771 WeakPolarHBondContact O-CB 3.39Å; Q767-L771 VanDerWaalsContact O-CG 3.31Å; Q767-L771 WeakPolarHBondContact O-CG 3.39Å; Q767-L771 PolarHBondContact O-N 3.35Å; L771-Q774 PolarHBondContact O-N 3.11Å; L771-S775 WeakPolarHBondContact O-CB 3.26Å; L771-S775 PolarHBondContact O-N 3.08Å; L771-V814 HydrophobicContact CD2-CG1 4.03Å
772K93.6Very high91.5Very high112 Ų11254.8 Ų54.849%0.48726%0.255SS..Hα-helixtrans-64.4-41.9174-74.9177.2-179.8179.50112.2L742 I768 R769 L770 S775 K776L742-K772 HydrophobicContact CD1-CG 4.48Å; I768-K772 HydrophobicContact CG2-CD 4.19Å; I768-K772 WeakPolarHBondContact O-CG 3.26Å; I768-K772 PolarHBondContact O-N 2.81Å; I768-K772 VanDerWaalsContact O-N 3.07Å; R769-K772 PolarHBondContact O-N 2.86Å; L770-K772 VanDerWaalsContact C-N 3.31Å; L770-K772 PolarHBondContact O-N 2.83Å; K772-S775 PolarHBondContact O-N 2.8Å; K772-K776 PolarHBondContact O-N 3.03Å; K772-K776 VanDerWaalsContact O-N 3.08Å
773F93Very high91.1Very high14 Ų1451.1 Ų51.16%0.06124%0.243CC..Hα-helixtrans-65.1-44.9176.6-167.6-84.3000111.4R769 L770 S775 K776 L777 L825 Q834 Q837 L838R769-F773 PolarHBondContact O-N 2.79Å; L770-F773 PolarHBondContact O-N 2.9Å; L770-F773 VanDerWaalsContact O-N 3.16Å; F773-S775 PolarHBondContact O-N 2.82Å; F773-K776 WeakPolarHBondContact O-CA 3.5Å; F773-K776 VanDerWaalsContact O-CB 3.32Å; F773-K776 WeakPolarHBondContact O-CB 3.49Å; F773-K776 PolarHBondContact O-N 3.4Å; F773-K776 VanDerWaalsContact O-N 3.09Å; F773-L777 HydrophobicContact CD1-CD1 3.89Å; F773-L777 HydrophobicContact CD1-CD2 4.39Å; F773-L777 HydrophobicContact CD1-CG 3.97Å; F773-L777 HydrophobicContact CE1-CD1 3.82Å; F773-L777 HydrophobicContact CE1-CD2 3.82Å; F773-L777 HydrophobicContact CE1-CG 3.88Å; F773-L777 HydrophobicContact CZ-CD2 4.49Å; F773-L777 WeakPolarHBondContact O-CG 3.11Å; F773-L777 PolarHBondContact O-N 3.45Å; F773-L825 HydrophobicContact CE1-CD1 4.38Å; F773-Q834 HydrophobicContact CZ-CB 4.5Å; F773-Q837 HydrophobicContact CE2-CG 4.04Å; F773-L838 HydrophobicContact CB-CD1 4.34Å; F773-L838 HydrophobicContact CD1-CD1 3.73Å; F773-L838 HydrophobicContact CD1-CD2 4.38Å; F773-L838 HydrophobicContact CD2-CD1 4.07Å; F773-L838 HydrophobicContact CE1-CB 4.16Å; F773-L838 HydrophobicContact CE1-CD1 3.95Å; F773-L838 HydrophobicContact CE1-CD2 4.21Å; F773-L838 HydrophobicContact CE1-CG 4.36Å; F773-L838 HydrophobicContact CE2-CD1 4.3Å; F773-L838 HydrophobicContact CG-CD1 3.79Å; F773-L838 HydrophobicContact CZ-CB 4.05Å; F773-L838 HydrophobicContact CZ-CD1 4.24Å
774Q92.9Very high90.6Very high0 Ų046.7 Ų46.70%022%0.223CC..Hα-helixtrans-60.8-44.4176.1-73.2170.1-14.600111.9L770 L771 K776 L777 E778 W813 V814 Q816 T821L770-Q774 HydrophobicContact CD1-CG 4.33Å; L770-Q774 HydrophobicContact CG-CG 4.5Å; L770-Q774 WeakPolarHBondContact O-CB 3.36Å; L770-Q774 WeakPolarHBondContact O-CG 3.16Å; L770-Q774 PolarHBondContact O-N 3.12Å; L771-Q774 PolarHBondContact O-N 3.11Å; Q774-K776 PolarHBondContact O-N 2.85Å; Q774-L777 WeakPolarHBondContact O-CB 2.97Å; Q774-L777 PolarHBondContact O-N 2.91Å; Q774-E778 WeakPolarHBondContact O-CG 3.48Å; Q774-E778 PolarHBondContact O-N 2.94Å; Q774-W813 HydrophobicContact CB-CB 3.83Å; Q774-W813 HydrophobicContact CG-CB 4.11Å; Q774-W813 WeakPolarHBondContact CG-O 3.45Å; Q774-W813 PolarHBondContact NE2-O 3.44Å; Q774-W813 PolarHBondContact OE1-O 3.34Å; Q774-V814 HydrophobicContact CB-CG2 3.95Å; Q774-Q816 PolarHBondContact NE2-O 2.93Å; Q774-T821 HydrophobicContact CG-CG2 4.3Å; Q774-T821 PolarHBondContact NE2-OG1 2.81Å
775S92Very high90Very high20 Ų2047.8 Ų47.814%0.1423%0.23CC..Hα-helixtrans-60.1-34173.8-1780000112.3L771 K772 F773 K779L771-S775 WeakPolarHBondContact O-CB 3.26Å; L771-S775 PolarHBondContact O-N 3.08Å; K772-S775 PolarHBondContact O-N 2.8Å; F773-S775 PolarHBondContact O-N 2.82Å; S775-K779 VanDerWaalsContact O-CG 3.28Å; S775-K779 WeakPolarHBondContact O-CG 3.41Å; S775-K779 PolarHBondContact O-N 3.44Å
776K91.7Very high89.3Confident99 Ų9946.4 Ų46.443%0.4322%0.223SC..Hα-helixtrans-67.4-39173-174-177.8177.2-175.80112.1K772 F773 Q774 K779 Q780K772-K776 PolarHBondContact O-N 3.03Å; K772-K776 VanDerWaalsContact O-N 3.08Å; F773-K776 WeakPolarHBondContact O-CA 3.5Å; F773-K776 VanDerWaalsContact O-CB 3.32Å; F773-K776 WeakPolarHBondContact O-CB 3.49Å; F773-K776 PolarHBondContact O-N 3.4Å; F773-K776 VanDerWaalsContact O-N 3.09Å; Q774-K776 PolarHBondContact O-N 2.85Å; K776-K779 PolarHBondContact O-N 2.92Å; K776-Q780 WeakPolarHBondContact O-CG 3.21Å; K776-Q780 PolarHBondContact O-N 3.38Å
777L89.6Confident88.5Confident2 Ų245.6 Ų45.61%0.0122%0.215CC..Hα-helixtrans-63.8-42.8175.2-62.8175.4000111.6F773 Q774 Q780 E781 I782 W813 T821 L825 Q834F773-L777 HydrophobicContact CD1-CD1 3.89Å; F773-L777 HydrophobicContact CD1-CD2 4.39Å; F773-L777 HydrophobicContact CD1-CG 3.97Å; F773-L777 HydrophobicContact CE1-CD1 3.82Å; F773-L777 HydrophobicContact CE1-CD2 3.82Å; F773-L777 HydrophobicContact CE1-CG 3.88Å; F773-L777 HydrophobicContact CZ-CD2 4.49Å; F773-L777 WeakPolarHBondContact O-CG 3.11Å; F773-L777 PolarHBondContact O-N 3.45Å; Q774-L777 WeakPolarHBondContact O-CB 2.97Å; Q774-L777 PolarHBondContact O-N 2.91Å; L777-Q780 PolarHBondContact O-N 3.49Å; L777-E781 PolarHBondContact O-N 3.47Å; L777-I782 HydrophobicContact CD2-CD1 3.57Å; L777-I782 PolarHBondContact O-N 3.1Å; L777-W813 HydrophobicContact CB-CB 4.33Å; L777-W813 HydrophobicContact CB-CD2 3.98Å; L777-W813 HydrophobicContact CB-CG 3.71Å; L777-W813 HydrophobicContact CD1-CB 4.47Å; L777-W813 HydrophobicContact CD1-CD2 3.59Å; L777-W813 HydrophobicContact CD1-CE3 3.6Å; L777-W813 HydrophobicContact CD1-CG 3.99Å; L777-W813 HydrophobicContact CD1-CH2 4.47Å; L777-W813 HydrophobicContact CD1-CZ2 4.48Å; L777-W813 HydrophobicContact CD1-CZ3 4.04Å; L777-W813 HydrophobicContact CG-CD2 4.45Å; L777-T821 HydrophobicContact CD1-CG2 4.05Å; L777-L825 HydrophobicContact CD1-CD1 4.18Å; L777-L825 HydrophobicContact CD1-CD2 4.13Å; L777-L825 HydrophobicContact CD1-CG 4.45Å; L777-L825 HydrophobicContact CD2-CD2 4.09Å; L777-Q834 HydrophobicContact CD2-CB 4.34Å; L777-Q834 HydrophobicContact CD2-CG 4.23Å
778E89.2Confident87.2Confident53 Ų5348.8 Ų48.825%0.24823%0.23CC..Hα-helixtrans-60.4-45174.8-67.1-178.9164.700111.4Q774 Q780 E781 K811 W813 V814Q774-E778 WeakPolarHBondContact O-CG 3.48Å; Q774-E778 PolarHBondContact O-N 2.94Å; E778-Q780 VanDerWaalsContact C-N 3.27Å; E778-Q780 PolarHBondContact O-N 2.86Å; E778-E781 PolarHBondContact O-N 3.01Å; E778-K811 WeakPolarHBondContact CG-O 3.25Å; E778-W813 HydrophobicContact CG-CB 3.91Å; E778-W813 HydrophobicContact CG-CG 4.27Å; E778-W813 PolarHBondContact OE1-N 2.88Å; E778-V814 VanDerWaalsContact CD-CG2 3.45Å; E778-V814 HydrophobicContact CG-CG2 4.47Å; E778-V814 WeakPolarHBondContact OE1-CB 3.33Å; E778-V814 WeakPolarHBondContact OE1-CG2 3.06Å; E778-V814 PolarHBondContact OE1-N 2.83Å; E778-V814 WeakPolarHBondContact OE2-CG2 3.39Å
779K89.1Confident85.8Confident170 Ų17053 Ų5374%0.73925%0.252SS*.Hα-helixtrans-64.7-27.5176.3-72.5176.1-173.1-174.50113.9S775 K776 E781S775-K779 VanDerWaalsContact O-CG 3.28Å; S775-K779 WeakPolarHBondContact O-CG 3.41Å; S775-K779 PolarHBondContact O-N 3.44Å; K776-K779 PolarHBondContact O-N 2.92Å; K779-E781 VanDerWaalsContact C-N 3.25Å
780Q88.2Confident84.2Confident101 Ų10155.1 Ų55.147%0.47226%0.264SS..THydrogen-bonded Turntrans-85.21175.4-72-178.1-2000112.7K776 L777 E778 I782K776-Q780 WeakPolarHBondContact O-CG 3.21Å; K776-Q780 PolarHBondContact O-N 3.38Å; L777-Q780 PolarHBondContact O-N 3.49Å; E778-Q780 VanDerWaalsContact C-N 3.27Å; E778-Q780 PolarHBondContact O-N 2.86Å; Q780-I782 HydrophobicContact CB-CD1 3.96Å; Q780-I782 HydrophobicContact CB-CG1 3.89Å; Q780-I782 PolarHBondContact O-N 3.31Å; Q780-I782 VanDerWaalsContact O-N 3.15Å
781E84.3Confident82.4Confident124 Ų12460.3 Ų60.358%0.57930%0.3SS*.THydrogen-bonded Turntrans51.532-176.3-57-159.8170.800114.3L777 E778 K779 S783 K811L777-E781 PolarHBondContact O-N 3.47Å; E778-E781 PolarHBondContact O-N 3.01Å; K779-E781 VanDerWaalsContact C-N 3.25Å; E781-S783 PolarHBondContact O-N 2.89Å; E781-S783 VanDerWaalsContact O-N 3.1Å; E781-K811 HydrophobicContact CB-CD 4.21Å; E781-K811 IonicContact OE2-NZ 3.58Å; E781-K811 PolarHBondContact OE2-NZ 3.24Å
782I85.5Confident80.7Confident20 Ų2065 Ų6510%0.10332%0.324CS..  trans-68.2113.9178.5-64.2170000108L777 Q780 W813 L825 S831 Q834L777-I782 HydrophobicContact CD2-CD1 3.57Å; L777-I782 PolarHBondContact O-N 3.1Å; Q780-I782 HydrophobicContact CB-CD1 3.96Å; Q780-I782 HydrophobicContact CB-CG1 3.89Å; Q780-I782 PolarHBondContact O-N 3.31Å; Q780-I782 VanDerWaalsContact O-N 3.15Å; I782-W813 HydrophobicContact CB-CZ2 4.5Å; I782-W813 HydrophobicContact CG2-CZ2 3.96Å; I782-W813 PolarHBondContact O-NE1 3.02Å; I782-L825 HydrophobicContact CG2-CD2 4.28Å; I782-S831 WeakPolarHBondContact CG2-OG 3.26Å; I782-Q834 HydrophobicContact CD1-CG 4.04Å
783S83.6Confident78.8Confident48 Ų4865.9 Ų65.934%0.33634%0.342SS..  trans-87.6135175-176.10000110.8E781 E810E781-S783 PolarHBondContact O-N 2.89Å; E781-S783 VanDerWaalsContact O-N 3.1Å; S783-E810 WeakPolarHBondContact OG-CB 3.39Å; S783-E810 PolarHBondContact OG-OE2 3.08Å
784A82.9Confident77.1Confident1 Ų169 Ų691%0.00838%0.378CS..  trans-146.2148.3171.100000111.3V786 E810 W813 R824A784-V786 PolarHBondContact O-N 3Å; A784-E810 PolarHBondContact N-O 2.8Å; A784-E810 WeakPolarHBondContact O-CA 3.39Å; A784-W813 HydrophobicContact CB-CH2 3.49Å; A784-W813 VanDerWaalsContact CB-CH2 3.49Å; A784-W813 HydrophobicContact CB-CZ2 3.56Å; A784-R824 HydrophobicContact CB-CB 3.99Å; A784-R824 WeakPolarHBondContact CB-O 3.26Å; A784-R824 PolarHBondContact O-NH2 2.93Å
785P79.5Confident75.6Confident32 Ų3271.7 Ų71.721%0.20840%0.396CS..  trans-50.2134.8178.2-25.532.6000111.8R824 A827 I859P785-R824 WeakPolarHBondContact O-CG 3.28Å; P785-R824 PolarHBondContact O-NE 2.9Å; P785-A827 HydrophobicContact CG-CB 4.21Å; P785-I859 HydrophobicContact CB-CG2 4.2Å
786V78.4Confident74.3Confident18 Ų1875.1 Ų75.111%0.10941%0.413CS..  trans-91.8125.1176.4-172.20000108.8A784 I803 S805 N809 E810A784-V786 PolarHBondContact O-N 3Å; V786-I803 HydrophobicContact CG1-CD1 4.33Å; V786-I803 PolarHBondContact O-N 2.91Å; V786-S805 WeakPolarHBondContact CG2-OG 3.48Å; V786-N809 HydrophobicContact CG2-CB 4.17Å; V786-N809 VanDerWaalsContact CG2-O 3.25Å; V786-N809 WeakPolarHBondContact CG2-O 3.39Å; V786-E810 HydrophobicContact CG2-CG 4.42Å
787F74.9Confident73.4Confident3 Ų377.3 Ų77.31%0.01342%0.419CS..EExtended strand (participates in β ladder)trans-140.9147.7172.953-94.5000108.7I789 P800 E801 T820 S823 R824 I859F787-I789 HydrophobicContact CD2-CG1 4.43Å; F787-P800 HydrophobicContact CB-CB 4.05Å; F787-P800 HydrophobicContact CB-CG 4Å; F787-P800 HydrophobicContact CD2-CB 3.76Å; F787-P800 HydrophobicContact CD2-CG 3.24Å; F787-P800 HydrophobicContact CE2-CG 3.87Å; F787-P800 HydrophobicContact CG-CB 4.26Å; F787-P800 HydrophobicContact CG-CG 3.76Å; F787-E801 WeakPolarHBondContact CB-O 3.48Å; F787-T820 HydrophobicContact CE2-CG2 4.34Å; F787-S823 VanDerWaalsContact CZ-CB 3.4Å; F787-R824 HydrophobicContact CD1-CG 4.05Å; F787-R824 HydrophobicContact CE1-CB 4.16Å; F787-R824 HydrophobicContact CE1-CG 3.32Å; F787-R824 HydrophobicContact CE2-CG 4.26Å; F787-R824 HydrophobicContact CZ-CB 4.27Å; F787-R824 HydrophobicContact CZ-CG 3.43Å; F787-R824 VanDerWaalsContact CZ-CG 3.43Å; F787-I859 HydrophobicContact CD1-CD1 3.62Å; F787-I859 HydrophobicContact CD1-CG1 4.48Å; F787-I859 HydrophobicContact CD1-CG2 3.85Å; F787-I859 HydrophobicContact CD2-CD1 3.96Å; F787-I859 HydrophobicContact CE1-CD1 3.51Å; F787-I859 HydrophobicContact CE1-CG2 4.16Å; F787-I859 HydrophobicContact CE2-CD1 3.88Å; F787-I859 HydrophobicContact CG-CD1 3.82Å; F787-I859 HydrophobicContact CZ-CD1 3.65Å
788E66.5Low72.7Confident104 Ų10479.1 Ų79.149%0.48643%0.428SS..EExtended strand (participates in β ladder)trans-111.3122-178.8-158.3172.7-156.300108.6K790 P800 I803E788-K790 HydrophobicContact CB-CG 4.26Å; E788-K790 HydrophobicContact CG-CG 4.05Å; E788-K790 PolarHBondContact O-N 3.13Å; E788-K790 WeakPolarHBondContact OE2-CE 3.38Å; E788-K790 IonicContact OE2-NZ 2.78Å; E788-P800 WeakPolarHBondContact O-CB 3.24Å; E788-I803 HydrophobicContact CB-CD1 3.87Å
789I65.9Low72Confident95 Ų9577.5 Ų77.549%0.48742%0.421SS..  trans-78.576.6173.2-53.3172.9000106.3F787 S791 P800F787-I789 HydrophobicContact CD2-CG1 4.43Å; I789-S791 PolarHBondContact O-N 3.16Å; I789-P800 HydrophobicContact CG1-CB 4.18Å; I789-P800 HydrophobicContact CG1-CG 4.44Å
790K60.5Low71.3Confident136 Ų13670.2 Ų70.259%0.59139%0.391SS*.  trans-71.1110.4174.2-68.8-174-178.7177.60108.3E788 I792E788-K790 HydrophobicContact CB-CG 4.26Å; E788-K790 HydrophobicContact CG-CG 4.05Å; E788-K790 PolarHBondContact O-N 3.13Å; E788-K790 WeakPolarHBondContact OE2-CE 3.38Å; E788-K790 IonicContact OE2-NZ 2.78Å; K790-I792 HydrophobicContact CB-CG1 4.08Å; K790-I792 PolarHBondContact O-N 3.42Å
791S55.5Low70.5Confident114 Ų11471.4 Ų71.480%0.79740%0.397SS*.  trans-72.578.5164.563.40000108.4I789 P793I789-S791 PolarHBondContact O-N 3.16Å; S791-P793 VanDerWaalsContact O-CD 3.31Å; S791-P793 WeakPolarHBondContact O-CD 3.4Å
792I56.9Low69.9Low99 Ų9969.3 Ų69.351%0.50839%0.392SS..  trans-70.6118.1169.3-58.7163.2000105.9K790 G794 S795K790-I792 HydrophobicContact CB-CG1 4.08Å; K790-I792 PolarHBondContact O-N 3.42Å; I792-G794 PolarHBondContact O-N 2.62Å; I792-S795 PolarHBondContact O-N 3.18Å
793P54.1Low69.1Low131 Ų13171.8 Ų71.885%0.85141%0.405SS*.THydrogen-bonded Turntrans-55.4115.9177.1-20.831.7000109.3S791S791-P793 VanDerWaalsContact O-CD 3.31Å; S791-P793 WeakPolarHBondContact O-CD 3.4Å
794G58.3Low68Low79 Ų7979.1 Ų79.181%0.81443%0.434SS*.THydrogen-bonded Turntrans95.2-8.5-177.700000116.4I792 N796I792-G794 PolarHBondContact O-N 2.62Å; G794-N796 PolarHBondContact O-N 3.35Å
795S61.6Low66.8Low56 Ų5680.2 Ų80.239%0.39244%0.441SS..  trans-75.2122.8171.8-179.80000110.5I792 R797I792-S795 PolarHBondContact O-N 3.18Å; S795-R797 PolarHBondContact OG-N 2.85Å
796N65.1Low65.9Low93 Ų9381.7 Ų81.750%0.49745%0.453SS..  trans-85.70.2174-92.4-34.9000112.6G794 I798 K885G794-N796 PolarHBondContact O-N 3.35Å; N796-I798 PolarHBondContact O-N 2.81Å; N796-K885 WeakPolarHBondContact O-CE 3.49Å; N796-K885 PolarHBondContact O-NZ 3.33Å
797R71.7Confident65.2Low144 Ų14485.1 Ų85.154%0.54348%0.477SS..  trans-64.1131.6-178-76.1-174.6153.8174.4-5.7112.3S795 E801S795-R797 PolarHBondContact OG-N 2.85Å; R797-E801 IonicContact NH1-OE1 3.58Å; R797-E801 PolarHBondContact NH1-OE1 2.87Å
798I75.3Confident65Low40 Ų4090.5 Ų90.521%0.20551%0.505CS..  trans-84.9-42.1170.6-70.8-179.5000110.6N796 P800 F851 V855 I882 K885 I886 D889N796-I798 PolarHBondContact O-N 2.81Å; I798-P800 WeakPolarHBondContact O-CD 3.44Å; I798-F851 HydrophobicContact CG2-CE2 4.05Å; I798-F851 HydrophobicContact CG2-CZ 3.74Å; I798-V855 HydrophobicContact CG2-CG2 4.07Å; I798-I882 HydrophobicContact CD1-CG2 4.06Å; I798-K885 HydrophobicContact CD1-CB 3.99Å; I798-K885 HydrophobicContact CD1-CD 3.52Å; I798-K885 HydrophobicContact CD1-CG 3.71Å; I798-K885 HydrophobicContact CG1-CD 3.85Å; I798-K885 HydrophobicContact CG1-CG 4.01Å; I798-I886 HydrophobicContact CB-CG1 4.3Å; I798-I886 HydrophobicContact CG2-CD1 4.07Å; I798-I886 HydrophobicContact CG2-CG1 3.72Å; I798-D889 PolarHBondContact N-OD2 3.46Å
799L75.2Confident65.4Low19 Ų1988.8 Ų88.810%0.09950%0.499CS..SBendtrans-77.1125.4-179.7-66.5178.7000110.8V855 A858 I886 D889L799-V855 HydrophobicContact CD2-CG1 4.3Å; L799-A858 HydrophobicContact CD1-CB 3.84Å; L799-A858 HydrophobicContact CD2-CB 3.47Å; L799-A858 VanDerWaalsContact CD2-CB 3.47Å; L799-A858 HydrophobicContact CG-CB 4.31Å; L799-I886 HydrophobicContact CD1-CG2 4.16Å; L799-I886 WeakPolarHBondContact CD1-O 3.41Å; L799-I886 HydrophobicContact CD2-CG1 4.31Å; L799-I886 HydrophobicContact CD2-CG2 4.06Å; L799-I886 HydrophobicContact CG-CG1 4.47Å; L799-I886 HydrophobicContact CG-CG2 4.29Å; L799-D889 HydrophobicContact CB-CB 3.87Å; L799-D889 HydrophobicContact CD1-CB 3.81Å; L799-D889 HydrophobicContact CG-CB 3.88Å; L799-D889 PolarHBondContact N-OD2 3.16Å
800P73.1Confident66Low17 Ų1787.3 Ų87.311%0.1149%0.49CS..PPolyproline II helixtrans-71.5148172.831.4-33.5000110.1F787 E788 I789 I798 V802 V855 I859F787-P800 HydrophobicContact CB-CB 4.05Å; F787-P800 HydrophobicContact CB-CG 4Å; F787-P800 HydrophobicContact CD2-CB 3.76Å; F787-P800 HydrophobicContact CD2-CG 3.24Å; F787-P800 HydrophobicContact CE2-CG 3.87Å; F787-P800 HydrophobicContact CG-CB 4.26Å; F787-P800 HydrophobicContact CG-CG 3.76Å; E788-P800 WeakPolarHBondContact O-CB 3.24Å; I789-P800 HydrophobicContact CG1-CB 4.18Å; I789-P800 HydrophobicContact CG1-CG 4.44Å; I798-P800 WeakPolarHBondContact O-CD 3.44Å; P800-V802 PolarHBondContact O-N 3.08Å; P800-V855 HydrophobicContact CG-CG1 4.45Å; P800-I859 HydrophobicContact CG-CD1 3.52Å; P800-I859 HydrophobicContact CG-CG1 4.23Å
801E70.6Confident67Low127 Ų12784.6 Ų84.659%0.59348%0.478SS*.EExtended strand (participates in β ladder)trans-73.1127.8176.5-73.9177.2176.600110F787 R797 I803F787-E801 WeakPolarHBondContact CB-O 3.48Å; R797-E801 IonicContact NH1-OE1 3.58Å; R797-E801 PolarHBondContact NH1-OE1 2.87Å; E801-I803 PolarHBondContact O-N 2.81Å
802V72Confident68.4Low79 Ų7983.4 Ų83.448%0.47946%0.463SS..EExtended strand (participates in β ladder)trans-72.1118.7175.9-172.20000108P800 Q804 I859P800-V802 PolarHBondContact O-N 3.08Å; V802-Q804 PolarHBondContact O-N 2.65Å; V802-I859 HydrophobicContact CG2-CG2 3.74Å
803I68.9Low70Confident73 Ų7378.7 Ų78.737%0.37444%0.438SS..PPolyproline II helixtrans-74.4127.1176.1-61.9171.1000106.5V786 E788 E801 S805V786-I803 HydrophobicContact CG1-CD1 4.33Å; V786-I803 PolarHBondContact O-N 2.91Å; E788-I803 HydrophobicContact CB-CD1 3.87Å; E801-I803 PolarHBondContact O-N 2.81Å; I803-S805 PolarHBondContact O-N 3.45Å
804Q61.2Low71.6Confident202 Ų20274.5 Ų74.594%0.94441%0.41SS*.  trans-6488.1166.7-74-177.5-4.500107.9V802V802-Q804 PolarHBondContact O-N 2.65Å
805S58.1Low72.9Confident23 Ų2372.8 Ų72.816%0.16139%0.392CS..  trans-101.3142.2-170.866.40000110.5V786 I803V786-S805 WeakPolarHBondContact CG2-OG 3.48Å; I803-S805 PolarHBondContact O-N 3.45Å
806S61.1Low74.1Confident64 Ų6472.2 Ų72.245%0.44838%0.383SS..  trans-58.2153.4168.355.50000110.6I808 N809S806-I808 PolarHBondContact O-N 2.62Å; S806-N809 PolarHBondContact O-N 3.07Å
807S63.5Low75.2Confident89 Ų8970.5 Ų70.562%0.62238%0.379SS*.THydrogen-bonded Turntrans-54.7-20.7178.452.40000114.2
808I70.9Confident76.1Confident117 Ų11765 Ų6560%0.636%0.36SS*.THydrogen-bonded Turntrans-71.1-44174.8-61.8170.1000110.9S806 E810 K811S806-I808 PolarHBondContact O-N 2.62Å; I808-E810 VanDerWaalsContact C-N 3.29Å; I808-E810 PolarHBondContact O-N 2.99Å; I808-K811 PolarHBondContact O-N 2.73Å; I808-K811 VanDerWaalsContact O-N 3.15Å
809N74Confident76.8Confident67 Ų6765.4 Ų65.436%0.35836%0.362SS..G310 helixtrans-69.1-29.5-175.7-73-10.4000112.2V786 S806 K811 L812V786-N809 HydrophobicContact CG2-CB 4.17Å; V786-N809 VanDerWaalsContact CG2-O 3.25Å; V786-N809 WeakPolarHBondContact CG2-O 3.39Å; S806-N809 PolarHBondContact O-N 3.07Å; N809-K811 PolarHBondContact O-N 3.14Å; N809-L812 PolarHBondContact O-N 2.88Å; N809-L812 VanDerWaalsContact O-N 3.16Å
810E77.6Confident77.4Confident65 Ų6565.3 Ų65.330%0.30436%0.363SS..G310 helixtrans-64.6-22.8175.6-56.5-175.815600112.9S783 A784 V786 I808 R824S783-E810 WeakPolarHBondContact OG-CB 3.39Å; S783-E810 PolarHBondContact OG-OE2 3.08Å; A784-E810 PolarHBondContact N-O 2.8Å; A784-E810 WeakPolarHBondContact O-CA 3.39Å; V786-E810 HydrophobicContact CG2-CG 4.42Å; I808-E810 VanDerWaalsContact C-N 3.29Å; I808-E810 PolarHBondContact O-N 2.99Å; E810-R824 PolarHBondContact O-NH2 3.44Å
811K83.2Confident78.3Confident79 Ų7964.5 Ų64.534%0.34336%0.357SS..G310 helixtrans-92-9.2176.6-63.2-175179.6-173.30113.9E778 E781 I808 N809E778-K811 WeakPolarHBondContact CG-O 3.25Å; E781-K811 HydrophobicContact CB-CD 4.21Å; E781-K811 IonicContact OE2-NZ 3.58Å; E781-K811 PolarHBondContact OE2-NZ 3.24Å; I808-K811 PolarHBondContact O-N 2.73Å; I808-K811 VanDerWaalsContact O-N 3.15Å; N809-K811 PolarHBondContact O-N 3.14Å
812L85.2Confident79.2Confident89 Ų8958.4 Ų58.447%0.46633%0.329SS..  trans-84.2125.6178.7-70.7171000110.7N809 R824N809-L812 PolarHBondContact O-N 2.88Å; N809-L812 VanDerWaalsContact O-N 3.16Å; L812-R824 PolarHBondContact O-NH1 3.39Å; L812-R824 PolarHBondContact O-NH2 3.31Å
813W88.8Confident80Confident0 Ų054.7 Ų54.70%031%0.307CS..  trans-123.3-30.2-177.6-65.790.4000113.4Q774 L777 E778 I782 A784 G815 Q816 T821 R824 L825Q774-W813 HydrophobicContact CB-CB 3.83Å; Q774-W813 HydrophobicContact CG-CB 4.11Å; Q774-W813 WeakPolarHBondContact CG-O 3.45Å; Q774-W813 PolarHBondContact NE2-O 3.44Å; Q774-W813 PolarHBondContact OE1-O 3.34Å; L777-W813 HydrophobicContact CB-CB 4.33Å; L777-W813 HydrophobicContact CB-CD2 3.98Å; L777-W813 HydrophobicContact CB-CG 3.71Å; L777-W813 HydrophobicContact CD1-CB 4.47Å; L777-W813 HydrophobicContact CD1-CD2 3.59Å; L777-W813 HydrophobicContact CD1-CE3 3.6Å; L777-W813 HydrophobicContact CD1-CG 3.99Å; L777-W813 HydrophobicContact CD1-CH2 4.47Å; L777-W813 HydrophobicContact CD1-CZ2 4.48Å; L777-W813 HydrophobicContact CD1-CZ3 4.04Å; L777-W813 HydrophobicContact CG-CD2 4.45Å; E778-W813 HydrophobicContact CG-CB 3.91Å; E778-W813 HydrophobicContact CG-CG 4.27Å; E778-W813 PolarHBondContact OE1-N 2.88Å; I782-W813 HydrophobicContact CB-CZ2 4.5Å; I782-W813 HydrophobicContact CG2-CZ2 3.96Å; I782-W813 PolarHBondContact O-NE1 3.02Å; A784-W813 HydrophobicContact CB-CH2 3.49Å; A784-W813 VanDerWaalsContact CB-CH2 3.49Å; A784-W813 HydrophobicContact CB-CZ2 3.56Å; W813-G815 PolarHBondContact O-N 2.85Å; W813-Q816 PolarHBondContact O-N 2.83Å; W813-T821 HydrophobicContact CE3-CG2 3.92Å; W813-T821 HydrophobicContact CZ3-CG2 4.06Å; W813-R824 HydrophobicContact CH2-CB 3.73Å; W813-R824 HydrophobicContact CZ3-CB 3.59Å; W813-L825 HydrophobicContact CH2-CB 4.48Å; W813-L825 HydrophobicContact CH2-CD2 3.44Å; W813-L825 VanDerWaalsContact CH2-CD2 3.44Å; W813-L825 HydrophobicContact CH2-CG 3.61Å; W813-L825 HydrophobicContact CZ2-CD2 3.93Å; W813-L825 HydrophobicContact CZ3-CD2 4Å; W813-L825 HydrophobicContact CZ3-CG 3.76Å
814V88.6Confident80.9Confident43 Ų4351.2 Ų51.226%0.26129%0.289SS..THydrogen-bonded Turntrans-64.8130.4-171.11690000111.1L738 L771 Q774 E778L738-V814 HydrophobicContact CD1-CG1 3.99Å; L738-V814 HydrophobicContact CD2-CG2 4.34Å; L771-V814 HydrophobicContact CD2-CG1 4.03Å; Q774-V814 HydrophobicContact CB-CG2 3.95Å; E778-V814 VanDerWaalsContact CD-CG2 3.45Å; E778-V814 HydrophobicContact CG-CG2 4.47Å; E778-V814 WeakPolarHBondContact OE1-CB 3.33Å; E778-V814 WeakPolarHBondContact OE1-CG2 3.06Å; E778-V814 PolarHBondContact OE1-N 2.83Å; E778-V814 WeakPolarHBondContact OE2-CG2 3.39Å
815G84.4Confident82.2Confident42 Ų4241.6 Ų41.643%0.43324%0.244SC..THydrogen-bonded Turntrans96.5-6.1176.800000114.5W813W813-G815 PolarHBondContact O-N 2.85Å
816Q86.7Confident83.6Confident44 Ų4441 Ų4121%0.20624%0.239CC..  trans-77.1157.2176.2-63.9-171.9-6.800112.2Q774 W813 T820Q774-Q816 PolarHBondContact NE2-O 2.93Å; W813-Q816 PolarHBondContact O-N 2.83Å; Q816-T820 HydrophobicContact CB-CG2 4.26Å; Q816-T820 HydrophobicContact CG-CG2 4.46Å
817S89.2Confident84.8Confident58 Ų5838 Ų3841%0.40622%0.218SC..  trans-68.7160.1173.684.20000111.6N819 T820 T821S817-N819 VanDerWaalsContact C-N 3.26Å; S817-N819 PolarHBondContact O-N 2.93Å; S817-N819 PolarHBondContact OG-N 2.83Å; S817-T820 PolarHBondContact O-N 2.86Å; S817-T820 PolarHBondContact OG-N 3.25Å; S817-T820 VanDerWaalsContact OG-N 3.12Å; S817-T820 PolarHBondContact OG-OG1 3.07Å; S817-T821 WeakPolarHBondContact O-CB 3.22Å; S817-T821 PolarHBondContact O-N 2.87Å; S817-T821 PolarHBondContact O-OG1 2.91Å
818L91.4Very high85.6Confident28 Ų2834.9 Ų34.915%0.14720%0.196CC..Hα-helixtrans-54.7-41.3173.5177.364.6000112.3L770 T821 L822 L838 F842 V844L770-L818 HydrophobicContact CD1-CD1 4.1Å; L770-L818 HydrophobicContact CD2-CB 4.19Å; L818-T821 PolarHBondContact O-N 2.71Å; L818-L822 HydrophobicContact CD1-CD1 4.3Å; L818-L822 HydrophobicContact CG-CD1 4.26Å; L818-L822 WeakPolarHBondContact O-CB 3.48Å; L818-L822 WeakPolarHBondContact O-CG 3.38Å; L818-L822 PolarHBondContact O-N 3.29Å; L818-L838 HydrophobicContact CD1-CD1 4.12Å; L818-L838 HydrophobicContact CD1-CD2 3.86Å; L818-L838 HydrophobicContact CD1-CG 3.74Å; L818-F842 HydrophobicContact CD1-CB 4.08Å; L818-F842 HydrophobicContact CD1-CD1 4.18Å; L818-F842 HydrophobicContact CD1-CD2 3.88Å; L818-F842 HydrophobicContact CD1-CE2 4.41Å; L818-F842 HydrophobicContact CD1-CG 3.77Å; L818-F842 HydrophobicContact CD2-CB 3.66Å; L818-F842 HydrophobicContact CD2-CD1 3.92Å; L818-F842 HydrophobicContact CD2-CG 3.89Å; L818-F842 HydrophobicContact CG-CG 4.5Å; L818-V844 HydrophobicContact CD2-CG2 3.89Å
819N90Very high85.7Confident48 Ų4831.7 Ų31.726%0.25719%0.191SC..Hα-helixtrans-67.8-42.6179.9-76.8-15.6000112.4S817 T821 L822 S823 R848 L852S817-N819 VanDerWaalsContact C-N 3.26Å; S817-N819 PolarHBondContact O-N 2.93Å; S817-N819 PolarHBondContact OG-N 2.83Å; N819-T821 VanDerWaalsContact C-N 3.33Å; N819-L822 PolarHBondContact O-N 2.89Å; N819-S823 VanDerWaalsContact O-CB 3.31Å; N819-S823 WeakPolarHBondContact O-CB 3.34Å; N819-S823 PolarHBondContact O-N 3.4Å; N819-S823 PolarHBondContact O-OG 3.3Å; N819-R848 PolarHBondContact ND2-NH2 3.36Å; N819-R848 PolarHBondContact OD1-NE 3.24Å; N819-R848 PolarHBondContact OD1-NH2 3.44Å; N819-L852 HydrophobicContact CB-CD2 4.01Å
820T87.6Confident85.9Confident17 Ų1737.3 Ų37.310%0.10422%0.216CC..Hα-helixtrans-62.7-45.6176.5-48.20000109.4F787 Q816 S817 L822 S823 R824F787-T820 HydrophobicContact CE2-CG2 4.34Å; Q816-T820 HydrophobicContact CB-CG2 4.26Å; Q816-T820 HydrophobicContact CG-CG2 4.46Å; S817-T820 PolarHBondContact O-N 2.86Å; S817-T820 PolarHBondContact OG-N 3.25Å; S817-T820 VanDerWaalsContact OG-N 3.12Å; S817-T820 PolarHBondContact OG-OG1 3.07Å; T820-L822 PolarHBondContact O-N 3.06Å; T820-S823 PolarHBondContact O-N 2.92Å; T820-R824 HydrophobicContact CG2-CG 4.49Å; T820-R824 WeakPolarHBondContact O-CB 3.37Å; T820-R824 VanDerWaalsContact O-CG 3.27Å; T820-R824 WeakPolarHBondContact O-CG 3.43Å; T820-R824 PolarHBondContact O-N 3.07Å
821T90.5Very high86.1Confident0 Ų034.6 Ų34.60%020%0.204CC..Hα-helixtrans-59.4-48.9178.1-51.40000111.4Q774 L777 W813 S817 L818 N819 R824 L825 L838Q774-T821 HydrophobicContact CG-CG2 4.3Å; Q774-T821 PolarHBondContact NE2-OG1 2.81Å; L777-T821 HydrophobicContact CD1-CG2 4.05Å; W813-T821 HydrophobicContact CE3-CG2 3.92Å; W813-T821 HydrophobicContact CZ3-CG2 4.06Å; S817-T821 WeakPolarHBondContact O-CB 3.22Å; S817-T821 PolarHBondContact O-N 2.87Å; S817-T821 PolarHBondContact O-OG1 2.91Å; L818-T821 PolarHBondContact O-N 2.71Å; N819-T821 VanDerWaalsContact C-N 3.33Å; T821-R824 PolarHBondContact O-N 3.29Å; T821-L825 HydrophobicContact CG2-CD1 4.26Å; T821-L825 WeakPolarHBondContact O-CG 3.49Å; T821-L825 PolarHBondContact O-N 3.49Å; T821-L838 HydrophobicContact CG2-CD2 3.61Å
822L90.8Very high86Confident0 Ų034.4 Ų34.40%020%0.204CC..Hα-helixtrans-62.4-46.6177.3-79.4170.8000112.6L818 N819 T820 R824 L825 L826 A835 L838 V844 F849 L852L818-L822 HydrophobicContact CD1-CD1 4.3Å; L818-L822 HydrophobicContact CG-CD1 4.26Å; L818-L822 WeakPolarHBondContact O-CB 3.48Å; L818-L822 WeakPolarHBondContact O-CG 3.38Å; L818-L822 PolarHBondContact O-N 3.29Å; N819-L822 PolarHBondContact O-N 2.89Å; T820-L822 PolarHBondContact O-N 3.06Å; L822-R824 VanDerWaalsContact C-N 3.29Å; L822-R824 PolarHBondContact O-N 3.1Å; L822-L825 PolarHBondContact O-N 2.86Å; L822-L826 WeakPolarHBondContact O-CB 3.45Å; L822-L826 WeakPolarHBondContact O-CD1 3.21Å; L822-L826 WeakPolarHBondContact O-CG 3.44Å; L822-L826 PolarHBondContact O-N 3.29Å; L822-A835 HydrophobicContact CD2-CB 4.29Å; L822-A835 VanDerWaalsContact CD2-O 3.31Å; L822-A835 WeakPolarHBondContact CD2-O 3.33Å; L822-L838 HydrophobicContact CD2-CB 3.99Å; L822-L838 HydrophobicContact CD2-CD2 3.93Å; L822-L838 HydrophobicContact CD2-CG 4.18Å; L822-L838 HydrophobicContact CG-CD2 3.95Å; L822-L838 HydrophobicContact CG-CG 4.47Å; L822-V844 HydrophobicContact CD1-CB 4.47Å; L822-V844 HydrophobicContact CD1-CG1 4.2Å; L822-V844 HydrophobicContact CD1-CG2 3.95Å; L822-F849 HydrophobicContact CD2-CD2 4.36Å; L822-F849 HydrophobicContact CD2-CE2 4.09Å; L822-L852 HydrophobicContact CB-CD1 3.94Å; L822-L852 HydrophobicContact CD1-CD1 3.79Å
823S87.5Confident86.2Confident1 Ų140.8 Ų40.81%0.00722%0.222CC..Hα-helixtrans-64.6-36.3-178.2-57.10000111.3F787 N819 T820 L826 A827 L852F787-S823 VanDerWaalsContact CZ-CB 3.4Å; N819-S823 VanDerWaalsContact O-CB 3.31Å; N819-S823 WeakPolarHBondContact O-CB 3.34Å; N819-S823 PolarHBondContact O-N 3.4Å; N819-S823 PolarHBondContact O-OG 3.3Å; T820-S823 PolarHBondContact O-N 2.92Å; S823-L826 PolarHBondContact O-N 2.89Å; S823-A827 WeakPolarHBondContact O-CB 3.25Å; S823-A827 PolarHBondContact O-N 3.14Å; S823-L852 WeakPolarHBondContact OG-CD2 3.34Å
824R87.9Confident86.3Confident0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-68-46.2175.7-73.4-176.772.1-158.1-2.6111.8A784 P785 F787 E810 L812 W813 T820 T821 L822 L826 A827 S828A784-R824 HydrophobicContact CB-CB 3.99Å; A784-R824 WeakPolarHBondContact CB-O 3.26Å; A784-R824 PolarHBondContact O-NH2 2.93Å; P785-R824 WeakPolarHBondContact O-CG 3.28Å; P785-R824 PolarHBondContact O-NE 2.9Å; F787-R824 HydrophobicContact CD1-CG 4.05Å; F787-R824 HydrophobicContact CE1-CB 4.16Å; F787-R824 HydrophobicContact CE1-CG 3.32Å; F787-R824 HydrophobicContact CE2-CG 4.26Å; F787-R824 HydrophobicContact CZ-CB 4.27Å; F787-R824 HydrophobicContact CZ-CG 3.43Å; F787-R824 VanDerWaalsContact CZ-CG 3.43Å; E810-R824 PolarHBondContact O-NH2 3.44Å; L812-R824 PolarHBondContact O-NH1 3.39Å; L812-R824 PolarHBondContact O-NH2 3.31Å; W813-R824 HydrophobicContact CH2-CB 3.73Å; W813-R824 HydrophobicContact CZ3-CB 3.59Å; T820-R824 HydrophobicContact CG2-CG 4.49Å; T820-R824 WeakPolarHBondContact O-CB 3.37Å; T820-R824 VanDerWaalsContact O-CG 3.27Å; T820-R824 WeakPolarHBondContact O-CG 3.43Å; T820-R824 PolarHBondContact O-N 3.07Å; T821-R824 PolarHBondContact O-N 3.29Å; L822-R824 VanDerWaalsContact C-N 3.29Å; L822-R824 PolarHBondContact O-N 3.1Å; R824-L826 VanDerWaalsContact C-N 3.26Å; R824-L826 PolarHBondContact O-N 2.76Å; R824-A827 PolarHBondContact O-N 2.92Å; R824-A827 VanDerWaalsContact O-N 3.17Å; R824-S828 PolarHBondContact O-N 3.13Å
825L89.4Confident86.4Confident0 Ų040.9 Ų40.90%022%0.22CC..Hα-helixtrans-61.3-35.5175.1-70.7170.4000112.3F773 L777 I782 W813 T821 L822 S828 Q834 A835 L838F773-L825 HydrophobicContact CE1-CD1 4.38Å; L777-L825 HydrophobicContact CD1-CD1 4.18Å; L777-L825 HydrophobicContact CD1-CD2 4.13Å; L777-L825 HydrophobicContact CD1-CG 4.45Å; L777-L825 HydrophobicContact CD2-CD2 4.09Å; I782-L825 HydrophobicContact CG2-CD2 4.28Å; W813-L825 HydrophobicContact CH2-CB 4.48Å; W813-L825 HydrophobicContact CH2-CD2 3.44Å; W813-L825 VanDerWaalsContact CH2-CD2 3.44Å; W813-L825 HydrophobicContact CH2-CG 3.61Å; W813-L825 HydrophobicContact CZ2-CD2 3.93Å; W813-L825 HydrophobicContact CZ3-CD2 4Å; W813-L825 HydrophobicContact CZ3-CG 3.76Å; T821-L825 HydrophobicContact CG2-CD1 4.26Å; T821-L825 WeakPolarHBondContact O-CG 3.49Å; T821-L825 PolarHBondContact O-N 3.49Å; L822-L825 PolarHBondContact O-N 2.86Å; L825-S828 PolarHBondContact O-OG 3.45Å; L825-S828 VanDerWaalsContact O-OG 3.04Å; L825-Q834 HydrophobicContact CD1-CB 4.18Å; L825-Q834 HydrophobicContact CD2-CB 4.11Å; L825-A835 HydrophobicContact CB-CB 3.91Å; L825-A835 HydrophobicContact CD1-CB 4.48Å; L825-L838 HydrophobicContact CD1-CD2 4.29Å
826L88.2Confident86.6Confident11 Ų1140.8 Ų40.86%0.05821%0.209CC..Hα-helixtrans-76.9-25.8177.4-69.2163.2000112.5L822 S823 R824 E832 A835 F849 L852 R853L822-L826 WeakPolarHBondContact O-CB 3.45Å; L822-L826 WeakPolarHBondContact O-CD1 3.21Å; L822-L826 WeakPolarHBondContact O-CG 3.44Å; L822-L826 PolarHBondContact O-N 3.29Å; S823-L826 PolarHBondContact O-N 2.89Å; R824-L826 VanDerWaalsContact C-N 3.26Å; R824-L826 PolarHBondContact O-N 2.76Å; L826-E832 HydrophobicContact CD2-CG 4.46Å; L826-A835 HydrophobicContact CD2-CB 3.79Å; L826-A835 HydrophobicContact CG-CB 3.86Å; L826-F849 HydrophobicContact CD1-CD2 4.33Å; L826-F849 HydrophobicContact CD1-CE2 3.94Å; L826-F849 HydrophobicContact CD1-CZ 4.22Å; L826-F849 HydrophobicContact CD2-CE1 4.49Å; L826-F849 HydrophobicContact CD2-CE2 4.33Å; L826-F849 HydrophobicContact CD2-CZ 3.87Å; L826-L852 HydrophobicContact CD1-CB 4.23Å; L826-R853 HydrophobicContact CD1-CB 4.05Å; L826-R853 HydrophobicContact CD2-CB 4.4Å; L826-R853 HydrophobicContact CD2-CG 4.34Å
827A84.8Confident86.9Confident0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-72.6-31.4175.400000113.1P785 S823 R824 G829 G856 I859 N860P785-A827 HydrophobicContact CG-CB 4.21Å; S823-A827 WeakPolarHBondContact O-CB 3.25Å; S823-A827 PolarHBondContact O-N 3.14Å; R824-A827 PolarHBondContact O-N 2.92Å; R824-A827 VanDerWaalsContact O-N 3.17Å; A827-G829 PolarHBondContact O-N 2.82Å; A827-G856 VanDerWaalsContact CA-O 3.28Å; A827-G856 WeakPolarHBondContact CA-O 3.41Å; A827-G856 VanDerWaalsContact CB-O 3.27Å; A827-G856 WeakPolarHBondContact CB-O 3.48Å; A827-I859 HydrophobicContact CB-CG2 4.25Å; A827-N860 WeakPolarHBondContact O-CB 3.49Å; A827-N860 PolarHBondContact O-ND2 3.35Å
828S80.4Confident87.1Confident24 Ų2440.3 Ų40.317%0.16820%0.201CC..SBendtrans-68.6-19.6-179.972.50000113.6R824 L825 Q830 S831R824-S828 PolarHBondContact O-N 3.13Å; L825-S828 PolarHBondContact O-OG 3.45Å; L825-S828 VanDerWaalsContact O-OG 3.04Å; S828-Q830 PolarHBondContact O-N 2.98Å; S828-S831 VanDerWaalsContact OG-CB 3.27Å; S828-S831 WeakPolarHBondContact OG-CB 3.3Å; S828-S831 PolarHBondContact OG-N 2.85Å; S828-S831 PolarHBondContact OG-OG 2.97Å
829G74.3Confident87.2Confident49 Ų4941.9 Ų41.951%0.50521%0.205SC..SBendtrans69.2-32.5-175.500000114.5A827A827-G829 PolarHBondContact O-N 2.82Å
830Q76.8Confident87.3Confident185 Ų18548.3 Ų48.386%0.86423%0.225SC*.THydrogen-bonded Turntrans-86.1-13.5-178.5-62.1179.5-5.100113.5S828S828-Q830 PolarHBondContact O-N 2.98Å
831S81.5Confident87.5Confident8 Ų850.8 Ų50.86%0.05624%0.236CC..THydrogen-bonded Turntrans-108.824-173.2-45.40000114.5I782 S828 R833 Q834 A835I782-S831 WeakPolarHBondContact CG2-OG 3.26Å; S828-S831 VanDerWaalsContact OG-CB 3.27Å; S828-S831 WeakPolarHBondContact OG-CB 3.3Å; S828-S831 PolarHBondContact OG-N 2.85Å; S828-S831 PolarHBondContact OG-OG 2.97Å; S831-R833 PolarHBondContact O-N 2.76Å; S831-Q834 VanDerWaalsContact CA-OE1 3.25Å; S831-Q834 PolarHBondContact O-N 3.06Å; S831-Q834 VanDerWaalsContact O-N 3.16Å; S831-Q834 PolarHBondContact O-OE1 2.86Å; S831-A835 PolarHBondContact O-N 2.78Å
832E83Confident87.6Confident75 Ų7552.6 Ų52.635%0.3524%0.243SC..Hα-helixtrans-60.9-32.5-178.8-164.8173-173.300112.3L826 A835 D836 R853L826-E832 HydrophobicContact CD2-CG 4.46Å; E832-A835 PolarHBondContact O-N 2.98Å; E832-D836 PolarHBondContact O-N 2.89Å; E832-R853 IonicContact OE1-CZ 3.04Å; E832-R853 IonicContact OE1-NH1 2.72Å; E832-R853 PolarHBondContact OE1-NH1 2.89Å; E832-R853 IonicContact OE1-NH2 2.85Å; E832-R853 PolarHBondContact OE1-NH2 2.86Å; E832-R853 IonicContact OE2-NH2 3.78Å
833R88.7Confident87.6Confident224 Ų22463.6 Ų63.685%0.84529%0.285SS*.Hα-helixtrans-62.4-44.4175.5-68.2-176.3-179.61740.9112.3S831 D836 Q837S831-R833 PolarHBondContact O-N 2.76Å; R833-D836 PolarHBondContact O-N 2.82Å; R833-Q837 PolarHBondContact O-N 3.1Å
834Q90.6Very high87.8Confident44 Ų4464 Ų6421%0.20629%0.288CS..Hα-helixtrans-67.7-39.2177.3-66.186.3-22.500110.7F773 L777 I782 L825 S831 Q837 L838F773-Q834 HydrophobicContact CZ-CB 4.5Å; L777-Q834 HydrophobicContact CD2-CB 4.34Å; L777-Q834 HydrophobicContact CD2-CG 4.23Å; I782-Q834 HydrophobicContact CD1-CG 4.04Å; L825-Q834 HydrophobicContact CD1-CB 4.18Å; L825-Q834 HydrophobicContact CD2-CB 4.11Å; S831-Q834 VanDerWaalsContact CA-OE1 3.25Å; S831-Q834 PolarHBondContact O-N 3.06Å; S831-Q834 VanDerWaalsContact O-N 3.16Å; S831-Q834 PolarHBondContact O-OE1 2.86Å; Q834-Q837 PolarHBondContact O-N 3.4Å; Q834-L838 WeakPolarHBondContact O-CB 3.48Å; Q834-L838 PolarHBondContact O-N 3.44Å
835A90.2Very high87.9Confident0 Ų067.3 Ų67.30%031%0.311CS..Hα-helixtrans-61.7-43.3175.200000111.8L822 L825 L826 S831 E832 L838 R839 F849L822-A835 HydrophobicContact CD2-CB 4.29Å; L822-A835 VanDerWaalsContact CD2-O 3.31Å; L822-A835 WeakPolarHBondContact CD2-O 3.33Å; L825-A835 HydrophobicContact CB-CB 3.91Å; L825-A835 HydrophobicContact CD1-CB 4.48Å; L826-A835 HydrophobicContact CD2-CB 3.79Å; L826-A835 HydrophobicContact CG-CB 3.86Å; S831-A835 PolarHBondContact O-N 2.78Å; E832-A835 PolarHBondContact O-N 2.98Å; A835-L838 PolarHBondContact O-N 2.98Å; A835-R839 WeakPolarHBondContact O-CB 3.44Å; A835-R839 PolarHBondContact O-N 2.81Å; A835-F849 HydrophobicContact CB-CE2 4.2Å; A835-F849 HydrophobicContact CB-CZ 4.34Å
836D90.2Very high87.8Confident41 Ų4174.9 Ų74.922%0.21935%0.346CS..Hα-helixtrans-68.4-35.6176.6-100.5-10.4000113E832 R833 R839 R840 F849E832-D836 PolarHBondContact O-N 2.89Å; R833-D836 PolarHBondContact O-N 2.82Å; D836-R839 WeakPolarHBondContact O-CB 3.16Å; D836-R839 PolarHBondContact O-N 3.09Å; D836-R839 IonicContact OD1-CZ 3.34Å; D836-R839 IonicContact OD1-NE 3.66Å; D836-R839 IonicContact OD1-NH1 2.78Å; D836-R839 PolarHBondContact OD1-NH1 3.33Å; D836-R840 WeakPolarHBondContact O-CG 3.28Å; D836-R840 PolarHBondContact O-N 2.97Å; D836-R840 VanDerWaalsContact O-N 3.07Å; D836-F849 VanDerWaalsContact OD1-CZ 3.29Å; D836-F849 WeakPolarHBondContact OD1-CZ 3.48Å
837Q92.9Very high87.8Confident91 Ų9182.8 Ų82.843%0.42538%0.38SS..Hα-helixtrans-59.5-49.7171.9-178.9176.3-1.400110.5F773 R833 Q834 R839 R840 E841F773-Q837 HydrophobicContact CE2-CG 4.04Å; R833-Q837 PolarHBondContact O-N 3.1Å; Q834-Q837 PolarHBondContact O-N 3.4Å; Q837-R839 VanDerWaalsContact C-N 3.33Å; Q837-R839 PolarHBondContact O-N 2.81Å; Q837-R840 PolarHBondContact O-N 3.15Å; Q837-E841 WeakPolarHBondContact O-CB 3.39Å; Q837-E841 PolarHBondContact O-N 3.43Å
838L92Very high88Confident0 Ų087.9 Ų87.90%040%0.399CS..Hα-helixtrans-64.8-37.7-180-167.565.9000111.7L770 F773 L818 T821 L822 L825 Q834 A835 R840 E841 F842L770-L838 HydrophobicContact CD1-CD1 4.38Å; F773-L838 HydrophobicContact CB-CD1 4.34Å; F773-L838 HydrophobicContact CD1-CD1 3.73Å; F773-L838 HydrophobicContact CD1-CD2 4.38Å; F773-L838 HydrophobicContact CD2-CD1 4.07Å; F773-L838 HydrophobicContact CE1-CB 4.16Å; F773-L838 HydrophobicContact CE1-CD1 3.95Å; F773-L838 HydrophobicContact CE1-CD2 4.21Å; F773-L838 HydrophobicContact CE1-CG 4.36Å; F773-L838 HydrophobicContact CE2-CD1 4.3Å; F773-L838 HydrophobicContact CG-CD1 3.79Å; F773-L838 HydrophobicContact CZ-CB 4.05Å; F773-L838 HydrophobicContact CZ-CD1 4.24Å; L818-L838 HydrophobicContact CD1-CD1 4.12Å; L818-L838 HydrophobicContact CD1-CD2 3.86Å; L818-L838 HydrophobicContact CD1-CG 3.74Å; T821-L838 HydrophobicContact CG2-CD2 3.61Å; L822-L838 HydrophobicContact CD2-CB 3.99Å; L822-L838 HydrophobicContact CD2-CD2 3.93Å; L822-L838 HydrophobicContact CD2-CG 4.18Å; L822-L838 HydrophobicContact CG-CD2 3.95Å; L822-L838 HydrophobicContact CG-CG 4.47Å; L825-L838 HydrophobicContact CD1-CD2 4.29Å; Q834-L838 WeakPolarHBondContact O-CB 3.48Å; Q834-L838 PolarHBondContact O-N 3.44Å; A835-L838 PolarHBondContact O-N 2.98Å; L838-R840 PolarHBondContact O-N 3.2Å; L838-E841 PolarHBondContact O-N 2.94Å; L838-F842 HydrophobicContact CD1-CD2 3.52Å; L838-F842 HydrophobicContact CD1-CE2 3.4Å; L838-F842 VanDerWaalsContact CD1-CE2 3.4Å; L838-F842 HydrophobicContact CG-CD2 4.14Å; L838-F842 HydrophobicContact CG-CE2 4.46Å; L838-F842 WeakPolarHBondContact O-CD2 3.27Å; L838-F842 PolarHBondContact O-N 2.65Å
839R93.3Very high88.4Confident62 Ų6287.2 Ų87.223%0.23439%0.393CS..Hα-helixtrans-57.2-46.8173.6-172.9-169.789.3-17515.5112A835 D836 Q837 R843 V844 F849A835-R839 WeakPolarHBondContact O-CB 3.44Å; A835-R839 PolarHBondContact O-N 2.81Å; D836-R839 WeakPolarHBondContact O-CB 3.16Å; D836-R839 PolarHBondContact O-N 3.09Å; D836-R839 IonicContact OD1-CZ 3.34Å; D836-R839 IonicContact OD1-NE 3.66Å; D836-R839 IonicContact OD1-NH1 2.78Å; D836-R839 PolarHBondContact OD1-NH1 3.33Å; Q837-R839 VanDerWaalsContact C-N 3.33Å; Q837-R839 PolarHBondContact O-N 2.81Å; R839-R843 WeakPolarHBondContact O-CA 2.91Å; R839-R843 PolarHBondContact O-N 3.06Å; R839-R843 VanDerWaalsContact O-N 3.09Å; R839-V844 HydrophobicContact CG-CB 4Å; R839-V844 PolarHBondContact O-N 3.33Å; R839-F849 HydrophobicContact CB-CD2 3.84Å; R839-F849 HydrophobicContact CB-CE2 3.85Å; R839-F849 HydrophobicContact CG-CB 4.2Å; R839-F849 HydrophobicContact CG-CD2 3.61Å; R839-F849 HydrophobicContact CG-CE2 4.07Å; R839-F849 HydrophobicContact CG-CG 3.93Å
840R92.5Very high89.1Confident183 Ų18385.5 Ų85.569%0.69138%0.375SS*.Hα-helixtrans-68.7-43.9-179.7-69.3174.6-169.1-168.33.2111.5D836 Q837 L838 F842 R843D836-R840 WeakPolarHBondContact O-CG 3.28Å; D836-R840 PolarHBondContact O-N 2.97Å; D836-R840 VanDerWaalsContact O-N 3.07Å; Q837-R840 PolarHBondContact O-N 3.15Å; L838-R840 PolarHBondContact O-N 3.2Å; R840-F842 PolarHBondContact O-N 2.85Å; R840-R843 PolarHBondContact O-N 3.07Å
841E91.4Very high89.6Confident68 Ų6879.7 Ų79.732%0.31835%0.347SS..Hα-helixtrans-64.7-39.3-177.6-172.8173.3172.400112.8Q837 L838Q837-E841 WeakPolarHBondContact O-CB 3.39Å; Q837-E841 PolarHBondContact O-N 3.43Å; L838-E841 PolarHBondContact O-N 2.94Å
842F92.5Very high89.9Confident38 Ų3879.7 Ų79.717%0.16735%0.346CS..THydrogen-bonded Turntrans-97.57.6179.8-72.3-94.7000113.9A766 R769 L770 L818 L838 R840 V844A766-F842 HydrophobicContact CB-CE1 4.25Å; A766-F842 WeakPolarHBondContact O-CE1 2.93Å; R769-F842 HydrophobicContact CB-CZ 3.97Å; L770-F842 HydrophobicContact CB-CE1 4.17Å; L770-F842 HydrophobicContact CB-CZ 3.77Å; L770-F842 HydrophobicContact CD1-CZ 4.37Å; L818-F842 HydrophobicContact CD1-CB 4.08Å; L818-F842 HydrophobicContact CD1-CD1 4.18Å; L818-F842 HydrophobicContact CD1-CD2 3.88Å; L818-F842 HydrophobicContact CD1-CE2 4.41Å; L818-F842 HydrophobicContact CD1-CG 3.77Å; L818-F842 HydrophobicContact CD2-CB 3.66Å; L818-F842 HydrophobicContact CD2-CD1 3.92Å; L818-F842 HydrophobicContact CD2-CG 3.89Å; L818-F842 HydrophobicContact CG-CG 4.5Å; L838-F842 HydrophobicContact CD1-CD2 3.52Å; L838-F842 HydrophobicContact CD1-CE2 3.4Å; L838-F842 VanDerWaalsContact CD1-CE2 3.4Å; L838-F842 HydrophobicContact CG-CD2 4.14Å; L838-F842 HydrophobicContact CG-CE2 4.46Å; L838-F842 WeakPolarHBondContact O-CD2 3.27Å; L838-F842 PolarHBondContact O-N 2.65Å; R840-F842 PolarHBondContact O-N 2.85Å; F842-V844 VanDerWaalsContact C-N 3.26Å; F842-V844 HydrophobicContact CB-CG2 4.07Å; F842-V844 PolarHBondContact O-N 2.84Å
843R91.6Very high90.1Very high231 Ų23179.5 Ų79.587%0.87234%0.342SS*.THydrogen-bonded Turntrans5044.1179.6-58.2-178.9179-179.9-0.8113R839 R840 S845R839-R843 WeakPolarHBondContact O-CA 2.91Å; R839-R843 PolarHBondContact O-N 3.06Å; R839-R843 VanDerWaalsContact O-N 3.09Å; R840-R843 PolarHBondContact O-N 3.07Å; R843-S845 PolarHBondContact O-N 2.86Å
844V90.6Very high89.9Confident11 Ų1168.9 Ų68.97%0.06730%0.302CS..  trans-71.4122.2179.9177.40000109.5L818 L822 R839 F842 R848 F849L818-V844 HydrophobicContact CD2-CG2 3.89Å; L822-V844 HydrophobicContact CD1-CB 4.47Å; L822-V844 HydrophobicContact CD1-CG1 4.2Å; L822-V844 HydrophobicContact CD1-CG2 3.95Å; R839-V844 HydrophobicContact CG-CB 4Å; R839-V844 PolarHBondContact O-N 3.33Å; F842-V844 VanDerWaalsContact C-N 3.26Å; F842-V844 HydrophobicContact CB-CG2 4.07Å; F842-V844 PolarHBondContact O-N 2.84Å; V844-R848 HydrophobicContact CG1-CB 3.93Å; V844-R848 HydrophobicContact CG1-CG 3.79Å; V844-F849 HydrophobicContact CG1-CB 4.35Å
845S91.1Very high89.6Confident69 Ų6967.1 Ų67.148%0.48329%0.294SS..  trans-55.7148.4-179.671.60000112.6R843 K847 R848 F849R843-S845 PolarHBondContact O-N 2.86Å; S845-K847 VanDerWaalsContact C-N 3.28Å; S845-K847 PolarHBondContact O-N 2.87Å; S845-R848 PolarHBondContact O-N 2.92Å; S845-R848 VanDerWaalsContact O-N 3.08Å; S845-R848 VanDerWaalsContact OG-CB 3.27Å; S845-R848 WeakPolarHBondContact OG-CB 3.42Å; S845-R848 PolarHBondContact OG-N 3.31Å; S845-F849 PolarHBondContact O-N 3.46Å
846E87.2Confident89.3Confident158 Ų15867.1 Ų67.174%0.73829%0.294SS*.Hα-helixtrans-57-40.7179.7-66.5-173.1162.700112.7R848 F849 A850E846-R848 PolarHBondContact O-N 3.18Å; E846-F849 PolarHBondContact O-N 2.86Å; E846-A850 VanDerWaalsContact O-CB 3.31Å; E846-A850 WeakPolarHBondContact O-CB 3.31Å; E846-A850 PolarHBondContact O-N 2.82Å
847K87.6Confident88.9Confident178 Ų17865.7 Ų65.777%0.77429%0.286SS*.Hα-helixtrans-60.3-45176.2-66.4-177.5-179.6178.20112S845 F851S845-K847 VanDerWaalsContact C-N 3.28Å; S845-K847 PolarHBondContact O-N 2.87Å; K847-F851 WeakPolarHBondContact O-CB 3.5Å; K847-F851 PolarHBondContact O-N 2.98Å
848R88.6Confident88.4Confident106 Ų10661.5 Ų61.540%0.427%0.268SS..Hα-helixtrans-65.5-43.3177.5-178.6170.2172.1-177.53.5110.8N819 V844 S845 E846 F851 L852N819-R848 PolarHBondContact ND2-NH2 3.36Å; N819-R848 PolarHBondContact OD1-NE 3.24Å; N819-R848 PolarHBondContact OD1-NH2 3.44Å; V844-R848 HydrophobicContact CG1-CB 3.93Å; V844-R848 HydrophobicContact CG1-CG 3.79Å; S845-R848 PolarHBondContact O-N 2.92Å; S845-R848 VanDerWaalsContact O-N 3.08Å; S845-R848 VanDerWaalsContact OG-CB 3.27Å; S845-R848 WeakPolarHBondContact OG-CB 3.42Å; S845-R848 PolarHBondContact OG-N 3.31Å; E846-R848 PolarHBondContact O-N 3.18Å; R848-F851 PolarHBondContact O-N 3.09Å; R848-L852 HydrophobicContact CG-CD1 4.06Å; R848-L852 VanDerWaalsContact O-CG 3.24Å; R848-L852 WeakPolarHBondContact O-CG 3.35Å; R848-L852 PolarHBondContact O-N 2.7Å
849F90.3Very high87.8Confident10 Ų1062.3 Ų62.34%0.04427%0.272CS..Hα-helixtrans-65.4-42177.8-172-102.3000112.3L822 L826 A835 D836 R839 V844 S845 E846 F851 L852 R853L822-F849 HydrophobicContact CD2-CD2 4.36Å; L822-F849 HydrophobicContact CD2-CE2 4.09Å; L826-F849 HydrophobicContact CD1-CD2 4.33Å; L826-F849 HydrophobicContact CD1-CE2 3.94Å; L826-F849 HydrophobicContact CD1-CZ 4.22Å; L826-F849 HydrophobicContact CD2-CE1 4.49Å; L826-F849 HydrophobicContact CD2-CE2 4.33Å; L826-F849 HydrophobicContact CD2-CZ 3.87Å; A835-F849 HydrophobicContact CB-CE2 4.2Å; A835-F849 HydrophobicContact CB-CZ 4.34Å; D836-F849 VanDerWaalsContact OD1-CZ 3.29Å; D836-F849 WeakPolarHBondContact OD1-CZ 3.48Å; R839-F849 HydrophobicContact CB-CD2 3.84Å; R839-F849 HydrophobicContact CB-CE2 3.85Å; R839-F849 HydrophobicContact CG-CB 4.2Å; R839-F849 HydrophobicContact CG-CD2 3.61Å; R839-F849 HydrophobicContact CG-CE2 4.07Å; R839-F849 HydrophobicContact CG-CG 3.93Å; V844-F849 HydrophobicContact CG1-CB 4.35Å; S845-F849 PolarHBondContact O-N 3.46Å; E846-F849 PolarHBondContact O-N 2.86Å; F849-F851 PolarHBondContact O-N 2.84Å; F849-L852 PolarHBondContact O-N 3.21Å; F849-R853 WeakPolarHBondContact O-CB 3.26Å; F849-R853 PolarHBondContact O-N 3.1Å
850A87.4Confident87Confident14 Ų1461.5 Ų61.512%0.11627%0.272CS..Hα-helixtrans-60.5-43.5174.700000111.9E846 R853 V854 P877 V878E846-A850 VanDerWaalsContact O-CB 3.31Å; E846-A850 WeakPolarHBondContact O-CB 3.31Å; E846-A850 PolarHBondContact O-N 2.82Å; A850-R853 WeakPolarHBondContact O-CB 3.47Å; A850-R853 PolarHBondContact O-N 3.24Å; A850-V854 WeakPolarHBondContact O-CG2 3.3Å; A850-V854 PolarHBondContact O-N 2.79Å; A850-P877 HydrophobicContact CB-CB 4.08Å; A850-V878 HydrophobicContact CB-CG2 4.02Å
851F87.8Confident85.9Confident63 Ų6358.7 Ų58.728%0.27627%0.271SS..Hα-helixtrans-59.9-50.1174176.7-95.4000112.1I798 K847 R848 F849 R853 V854 V855 V878 I882I798-F851 HydrophobicContact CG2-CE2 4.05Å; I798-F851 HydrophobicContact CG2-CZ 3.74Å; K847-F851 WeakPolarHBondContact O-CB 3.5Å; K847-F851 PolarHBondContact O-N 2.98Å; R848-F851 PolarHBondContact O-N 3.09Å; F849-F851 PolarHBondContact O-N 2.84Å; F851-R853 VanDerWaalsContact C-N 3.25Å; F851-R853 PolarHBondContact O-N 2.82Å; F851-V854 PolarHBondContact O-N 3.32Å; F851-V855 HydrophobicContact CD1-CG2 4.28Å; F851-V855 HydrophobicContact CE1-CG2 3.88Å; F851-V855 HydrophobicContact CE2-CG2 4.42Å; F851-V855 HydrophobicContact CZ-CG2 3.98Å; F851-V855 WeakPolarHBondContact O-CG2 3.45Å; F851-V855 PolarHBondContact O-N 2.88Å; F851-V878 HydrophobicContact CD2-CG1 4.25Å; F851-I882 HydrophobicContact CD2-CD1 4.27Å; F851-I882 HydrophobicContact CD2-CG2 3.84Å; F851-I882 HydrophobicContact CE2-CD1 4.36Å; F851-I882 HydrophobicContact CE2-CG2 3.61Å
852L87.8Confident84.7Confident8 Ų859.2 Ų59.24%0.04229%0.286CS..Hα-helixtrans-64-31.4178.6-62.7169.3000112.1N819 L822 S823 L826 R848 F849 V855 G856N819-L852 HydrophobicContact CB-CD2 4.01Å; L822-L852 HydrophobicContact CB-CD1 3.94Å; L822-L852 HydrophobicContact CD1-CD1 3.79Å; S823-L852 WeakPolarHBondContact OG-CD2 3.34Å; L826-L852 HydrophobicContact CD1-CB 4.23Å; R848-L852 HydrophobicContact CG-CD1 4.06Å; R848-L852 VanDerWaalsContact O-CG 3.24Å; R848-L852 WeakPolarHBondContact O-CG 3.35Å; R848-L852 PolarHBondContact O-N 2.7Å; F849-L852 PolarHBondContact O-N 3.21Å; L852-V855 PolarHBondContact O-N 2.8Å; L852-G856 PolarHBondContact O-N 2.87Å
853R87.2Confident83.8Confident70 Ų7058.1 Ų58.126%0.26428%0.284SS..Hα-helixtrans-65.9-46.7173.6-178.1179.1-178.3140.213.9111.5L826 E832 F849 A850 F851 V855 G856 M857L826-R853 HydrophobicContact CD1-CB 4.05Å; L826-R853 HydrophobicContact CD2-CB 4.4Å; L826-R853 HydrophobicContact CD2-CG 4.34Å; E832-R853 IonicContact OE1-CZ 3.04Å; E832-R853 IonicContact OE1-NH1 2.72Å; E832-R853 PolarHBondContact OE1-NH1 2.89Å; E832-R853 IonicContact OE1-NH2 2.85Å; E832-R853 PolarHBondContact OE1-NH2 2.86Å; E832-R853 IonicContact OE2-NH2 3.78Å; F849-R853 WeakPolarHBondContact O-CB 3.26Å; F849-R853 PolarHBondContact O-N 3.1Å; A850-R853 WeakPolarHBondContact O-CB 3.47Å; A850-R853 PolarHBondContact O-N 3.24Å; F851-R853 VanDerWaalsContact C-N 3.25Å; F851-R853 PolarHBondContact O-N 2.82Å; R853-V855 VanDerWaalsContact C-N 3.34Å; R853-G856 PolarHBondContact O-N 3Å; R853-M857 HydrophobicContact CG-CG 4.48Å; R853-M857 HydrophobicContact CG-SD 3.99Å; R853-M857 WeakPolarHBondContact O-CB 3.45Å; R853-M857 VanDerWaalsContact O-CG 3.28Å; R853-M857 WeakPolarHBondContact O-CG 3.02Å; R853-M857 PolarHBondContact O-N 3.04Å
854V85.3Confident83.1Confident1 Ų147.7 Ų47.71%0.00624%0.244CC..Hα-helixtrans-62.4-44175.5177.70000110A850 F851 G856 M857 A858 M867 M870 V878 L883 I886A850-V854 WeakPolarHBondContact O-CG2 3.3Å; A850-V854 PolarHBondContact O-N 2.79Å; F851-V854 PolarHBondContact O-N 3.32Å; V854-G856 PolarHBondContact O-N 2.76Å; V854-M857 PolarHBondContact O-N 3.12Å; V854-A858 WeakPolarHBondContact O-CB 2.93Å; V854-A858 PolarHBondContact O-N 2.83Å; V854-M867 HydrophobicContact CB-CE 4.31Å; V854-M867 HydrophobicContact CG1-CE 3.48Å; V854-M867 VanDerWaalsContact CG1-CE 3.48Å; V854-M867 HydrophobicContact CG1-SD 4.12Å; V854-M867 WeakPolarHBondContact O-CE 3.35Å; V854-M870 HydrophobicContact CG2-CE 3.94Å; V854-V878 HydrophobicContact CG2-CB 4.49Å; V854-V878 HydrophobicContact CG2-CG2 3.73Å; V854-L883 HydrophobicContact CG1-CD2 3.67Å; V854-L883 HydrophobicContact CG2-CD2 4.24Å; V854-I886 HydrophobicContact CB-CD1 4.29Å; V854-I886 HydrophobicContact CG1-CD1 3.47Å; V854-I886 VanDerWaalsContact CG1-CD1 3.47Å; V854-I886 HydrophobicContact CG1-CG2 4.24Å
855V84.8Confident82.3Confident7 Ų750.8 Ų50.84%0.04227%0.266CS..Hα-helixtrans-59.6-47.8175.3171.60000111.4I798 L799 P800 F851 L852 R853 M857 A858 I859 I886I798-V855 HydrophobicContact CG2-CG2 4.07Å; L799-V855 HydrophobicContact CD2-CG1 4.3Å; P800-V855 HydrophobicContact CG-CG1 4.45Å; F851-V855 HydrophobicContact CD1-CG2 4.28Å; F851-V855 HydrophobicContact CE1-CG2 3.88Å; F851-V855 HydrophobicContact CE2-CG2 4.42Å; F851-V855 HydrophobicContact CZ-CG2 3.98Å; F851-V855 WeakPolarHBondContact O-CG2 3.45Å; F851-V855 PolarHBondContact O-N 2.88Å; L852-V855 PolarHBondContact O-N 2.8Å; R853-V855 VanDerWaalsContact C-N 3.34Å; V855-M857 PolarHBondContact O-N 2.86Å; V855-A858 PolarHBondContact O-N 2.88Å; V855-I859 HydrophobicContact CG1-CD1 3.71Å; V855-I859 WeakPolarHBondContact O-CD1 3.36Å; V855-I859 VanDerWaalsContact O-CG1 3.23Å; V855-I859 WeakPolarHBondContact O-CG1 3.12Å; V855-I859 PolarHBondContact O-N 2.87Å; V855-I886 HydrophobicContact CG2-CD1 4.23Å
856G82.9Confident81.6Confident0 Ų052.1 Ų52.10%027%0.265CS..Hα-helixtrans-60.1-44.317700000112.9A827 L852 R853 V854 A858 I859 N860A827-G856 VanDerWaalsContact CA-O 3.28Å; A827-G856 WeakPolarHBondContact CA-O 3.41Å; A827-G856 VanDerWaalsContact CB-O 3.27Å; A827-G856 WeakPolarHBondContact CB-O 3.48Å; L852-G856 PolarHBondContact O-N 2.87Å; R853-G856 PolarHBondContact O-N 3Å; V854-G856 PolarHBondContact O-N 2.76Å; G856-A858 PolarHBondContact O-N 2.88Å; G856-I859 PolarHBondContact O-N 2.97Å; G856-N860 PolarHBondContact O-N 3.45Å
857M83Confident81.1Confident11 Ų1144.7 Ų44.75%0.05423%0.23CC..Hα-helixtrans-64.7-37176.2-74.6175141.500112.9R853 V854 V855 N860 E866 M867 M870R853-M857 HydrophobicContact CG-CG 4.48Å; R853-M857 HydrophobicContact CG-SD 3.99Å; R853-M857 WeakPolarHBondContact O-CB 3.45Å; R853-M857 VanDerWaalsContact O-CG 3.28Å; R853-M857 WeakPolarHBondContact O-CG 3.02Å; R853-M857 PolarHBondContact O-N 3.04Å; V854-M857 PolarHBondContact O-N 3.12Å; V855-M857 PolarHBondContact O-N 2.86Å; M857-N860 CarbonylContact O-C 3.53Å; M857-N860 PolarHBondContact O-N 2.89Å; M857-E866 HydrophobicContact CE-CB 4.02Å; M857-E866 WeakPolarHBondContact CE-OE2 3.26Å; M857-M867 HydrophobicContact CB-CE 3.77Å; M857-M870 HydrophobicContact CE-SD 4.42Å; M857-M870 HydrophobicContact SD-SD 3.85Å
858A81Confident80.5Confident4 Ų437.8 Ų37.83%0.03320%0.202CC..Hα-helixtrans-72.3-32.9177.800000112.7L799 V854 V855 G856 N860 W864 M867 I886L799-A858 HydrophobicContact CD1-CB 3.84Å; L799-A858 HydrophobicContact CD2-CB 3.47Å; L799-A858 VanDerWaalsContact CD2-CB 3.47Å; L799-A858 HydrophobicContact CG-CB 4.31Å; V854-A858 WeakPolarHBondContact O-CB 2.93Å; V854-A858 PolarHBondContact O-N 2.83Å; V855-A858 PolarHBondContact O-N 2.88Å; G856-A858 PolarHBondContact O-N 2.88Å; A858-N860 VanDerWaalsContact C-N 3.3Å; A858-W864 HydrophobicContact CB-CH2 4.18Å; A858-W864 HydrophobicContact CB-CZ2 3.83Å; A858-M867 HydrophobicContact CB-CE 3.56Å; A858-M867 HydrophobicContact CB-SD 4.48Å; A858-I886 HydrophobicContact CB-CG2 3.56Å
859I79.5Confident80Confident17 Ų1739.6 Ų39.69%0.08721%0.213CC..Hα-helixtrans-64.4-37.4174.5-73163.7000111P785 F787 P800 V802 A827 V855 G856 N861P785-I859 HydrophobicContact CB-CG2 4.2Å; F787-I859 HydrophobicContact CD1-CD1 3.62Å; F787-I859 HydrophobicContact CD1-CG1 4.48Å; F787-I859 HydrophobicContact CD1-CG2 3.85Å; F787-I859 HydrophobicContact CD2-CD1 3.96Å; F787-I859 HydrophobicContact CE1-CD1 3.51Å; F787-I859 HydrophobicContact CE1-CG2 4.16Å; F787-I859 HydrophobicContact CE2-CD1 3.88Å; F787-I859 HydrophobicContact CG-CD1 3.82Å; F787-I859 HydrophobicContact CZ-CD1 3.65Å; P800-I859 HydrophobicContact CG-CD1 3.52Å; P800-I859 HydrophobicContact CG-CG1 4.23Å; V802-I859 HydrophobicContact CG2-CG2 3.74Å; A827-I859 HydrophobicContact CB-CG2 4.25Å; V855-I859 HydrophobicContact CG1-CD1 3.71Å; V855-I859 WeakPolarHBondContact O-CD1 3.36Å; V855-I859 VanDerWaalsContact O-CG1 3.23Å; V855-I859 WeakPolarHBondContact O-CG1 3.12Å; V855-I859 PolarHBondContact O-N 2.87Å; G856-I859 PolarHBondContact O-N 2.97Å; I859-N861 PolarHBondContact O-N 3.35Å
860N77.4Confident79.3Confident44 Ų4441.2 Ų41.224%0.23522%0.221CC..SBendtrans-8997.1175.4-175.84.6000111A827 G856 M857 A858 A862 S863A827-N860 WeakPolarHBondContact O-CB 3.49Å; A827-N860 PolarHBondContact O-ND2 3.35Å; G856-N860 PolarHBondContact O-N 3.45Å; M857-N860 CarbonylContact O-C 3.53Å; M857-N860 PolarHBondContact O-N 2.89Å; A858-N860 VanDerWaalsContact C-N 3.3Å; N860-A862 PolarHBondContact O-N 2.83Å; N860-A862 PolarHBondContact OD1-N 2.97Å; N860-S863 PolarHBondContact ND2-OG 2.73Å; N860-S863 PolarHBondContact O-N 2.8Å
861N68.2Low78.7Confident125 Ų12541.1 Ų41.167%0.66822%0.218SC*.G310 helixtrans-50.8-22.4-177.8-83.3-22.5000115.3I859 S863I859-N861 PolarHBondContact O-N 3.35Å; N861-S863 VanDerWaalsContact C-N 3.32Å
862A67.7Low78Confident78 Ų7845.1 Ų45.165%0.64523%0.231SC*.G310 helixtrans-72.5-21.517600000114N860N860-A862 PolarHBondContact O-N 2.83Å; N860-A862 PolarHBondContact OD1-N 2.97Å
863S73.1Confident77.4Confident16 Ų1646.9 Ų46.911%0.11225%0.247CC..G310 helixtrans-93.81.8-170.4-57.50000114.3N860 N861 S865 E866 M867N860-S863 PolarHBondContact ND2-OG 2.73Å; N860-S863 PolarHBondContact O-N 2.8Å; N861-S863 VanDerWaalsContact C-N 3.32Å; S863-S865 PolarHBondContact O-N 2.74Å; S863-E866 PolarHBondContact O-N 2.86Å; S863-E866 VanDerWaalsContact O-N 3.09Å; S863-M867 PolarHBondContact O-N 3.15Å
864W76.1Confident76.8Confident12 Ų1253.8 Ų53.85%0.04528%0.279CS..Hα-helixtrans-60.3-30.1179.4-81.797000113.1A858 E866 M867 D868 I886 R892A858-W864 HydrophobicContact CB-CH2 4.18Å; A858-W864 HydrophobicContact CB-CZ2 3.83Å; W864-E866 VanDerWaalsContact C-N 3.31Å; W864-E866 PolarHBondContact O-N 2.51Å; W864-M867 HydrophobicContact CE3-SD 3.73Å; W864-M867 HydrophobicContact CH2-SD 3.96Å; W864-M867 HydrophobicContact CZ3-SD 3.41Å; W864-M867 WeakPolarHBondContact CZ3-SD 3.18Å; W864-M867 PolarHBondContact O-N 2.62Å; W864-D868 WeakPolarHBondContact O-CB 3.43Å; W864-D868 PolarHBondContact O-N 2.83Å; W864-I886 HydrophobicContact CH2-CG2 4.13Å; W864-R892 HydrophobicContact CD2-CG 4.26Å; W864-R892 HydrophobicContact CE3-CG 4.27Å; W864-R892 HydrophobicContact CH2-CG 4.26Å; W864-R892 HydrophobicContact CZ2-CG 4.23Å; W864-R892 HydrophobicContact CZ3-CG 4.27Å
865S75.3Confident76.4Confident75 Ų7562.6 Ų62.652%0.52432%0.318SS..Hα-helixtrans-64.1-35.1176.255.50000112.7S863 K869S863-S865 PolarHBondContact O-N 2.74Å; S865-K869 PolarHBondContact O-N 3.21Å
866E75.7Confident75.9Confident98 Ų9864 Ų6446%0.45833%0.327SS..Hα-helixtrans-77.5-39.7173.9-62.9-159.5154.300112M857 S863 W864 D868 K869 M870M857-E866 HydrophobicContact CE-CB 4.02Å; M857-E866 WeakPolarHBondContact CE-OE2 3.26Å; S863-E866 PolarHBondContact O-N 2.86Å; S863-E866 VanDerWaalsContact O-N 3.09Å; W864-E866 VanDerWaalsContact C-N 3.31Å; W864-E866 PolarHBondContact O-N 2.51Å; E866-D868 PolarHBondContact O-N 3.29Å; E866-K869 WeakPolarHBondContact O-CB 3.15Å; E866-K869 PolarHBondContact O-N 3.18Å; E866-K869 VanDerWaalsContact O-N 3.14Å; E866-M870 PolarHBondContact O-N 2.64Å; E866-M870 VanDerWaalsContact O-N 3.09Å
867M77.2Confident75.5Confident1 Ų167.5 Ų67.51%0.00535%0.349CS..Hα-helixtrans-58.3-40.5173.3-175.9178.6-70.600110.9V854 M857 A858 S863 W864 K869 M870 I871 I886V854-M867 HydrophobicContact CB-CE 4.31Å; V854-M867 HydrophobicContact CG1-CE 3.48Å; V854-M867 VanDerWaalsContact CG1-CE 3.48Å; V854-M867 HydrophobicContact CG1-SD 4.12Å; V854-M867 WeakPolarHBondContact O-CE 3.35Å; M857-M867 HydrophobicContact CB-CE 3.77Å; A858-M867 HydrophobicContact CB-CE 3.56Å; A858-M867 HydrophobicContact CB-SD 4.48Å; S863-M867 PolarHBondContact O-N 3.15Å; W864-M867 HydrophobicContact CE3-SD 3.73Å; W864-M867 HydrophobicContact CH2-SD 3.96Å; W864-M867 HydrophobicContact CZ3-SD 3.41Å; W864-M867 WeakPolarHBondContact CZ3-SD 3.18Å; W864-M867 PolarHBondContact O-N 2.62Å; M867-K869 VanDerWaalsContact C-N 3.3Å; M867-K869 PolarHBondContact O-N 2.74Å; M867-M870 CarbonylContact O-C 3.59Å; M867-M870 WeakPolarHBondContact O-CA 3.27Å; M867-M870 WeakPolarHBondContact O-CB 3.49Å; M867-M870 PolarHBondContact O-N 2.96Å; M867-I871 HydrophobicContact CG-CD1 3.71Å; M867-I871 HydrophobicContact CG-CG1 4.1Å; M867-I871 WeakPolarHBondContact O-CB 3.4Å; M867-I871 VanDerWaalsContact O-CG1 3.27Å; M867-I871 WeakPolarHBondContact O-CG1 3.38Å; M867-I871 PolarHBondContact O-N 2.86Å; M867-I871 HydrophobicContact SD-CD1 4.15Å; M867-I886 HydrophobicContact CE-CG2 4.29Å; M867-I886 HydrophobicContact SD-CG2 4.22Å
868D75.1Confident75.5Confident33 Ų3367.5 Ų67.518%0.17635%0.35CS..Hα-helixtrans-66.2-31.6179.7-164.720.1000112.1W864 E866 R872W864-D868 WeakPolarHBondContact O-CB 3.43Å; W864-D868 PolarHBondContact O-N 2.83Å; E866-D868 PolarHBondContact O-N 3.29Å; D868-R872 WeakPolarHBondContact O-CB 3.38Å; D868-R872 WeakPolarHBondContact O-CG 3.49Å; D868-R872 PolarHBondContact O-N 2.99Å; D868-R872 VanDerWaalsContact O-N 3.07Å; D868-R872 PolarHBondContact O-NE 3.32Å; D868-R872 IonicContact OD1-CZ 3.35Å; D868-R872 IonicContact OD1-NH1 2.86Å; D868-R872 PolarHBondContact OD1-NH1 3.12Å; D868-R872 IonicContact OD1-NH2 3.64Å; D868-R872 IonicContact OD2-CZ 3.13Å; D868-R872 IonicContact OD2-NH1 2.66Å; D868-R872 PolarHBondContact OD2-NH1 3.05Å; D868-R872 IonicContact OD2-NH2 2.82Å; D868-R872 PolarHBondContact OD2-NH2 3.43Å
869K77.9Confident75.6Confident145 Ų14571.4 Ų71.463%0.6337%0.37SS*.Hα-helixtrans-65.1-41167.4-66.4174.3-174.6172.40111.8S865 E866 M867 A873S865-K869 PolarHBondContact O-N 3.21Å; E866-K869 WeakPolarHBondContact O-CB 3.15Å; E866-K869 PolarHBondContact O-N 3.18Å; E866-K869 VanDerWaalsContact O-N 3.14Å; M867-K869 VanDerWaalsContact C-N 3.3Å; M867-K869 PolarHBondContact O-N 2.74Å; K869-A873 PolarHBondContact O-N 3.36Å
870M74.2Confident75.9Confident43 Ų4372.4 Ų72.421%0.21238%0.377CS..Hα-helixtrans-67.7-39.8176.1-72.9175.56400112.5V854 M857 E866 M867 R872 A873 P877V854-M870 HydrophobicContact CG2-CE 3.94Å; M857-M870 HydrophobicContact CE-SD 4.42Å; M857-M870 HydrophobicContact SD-SD 3.85Å; E866-M870 PolarHBondContact O-N 2.64Å; E866-M870 VanDerWaalsContact O-N 3.09Å; M867-M870 CarbonylContact O-C 3.59Å; M867-M870 WeakPolarHBondContact O-CA 3.27Å; M867-M870 WeakPolarHBondContact O-CB 3.49Å; M867-M870 PolarHBondContact O-N 2.96Å; M870-R872 VanDerWaalsContact C-N 3.32Å; M870-R872 PolarHBondContact O-N 2.83Å; M870-A873 WeakPolarHBondContact O-CB 3.14Å; M870-A873 PolarHBondContact O-N 3.25Å; M870-P877 HydrophobicContact CE-CG 3.38Å
871I75.1Confident76.3Confident13 Ų1372.7 Ų72.77%0.06738%0.377CS..Hα-helixtrans-63.8-38.2178-73.2170.5000110.7M867 A873 L883 L899M867-I871 HydrophobicContact CG-CD1 3.71Å; M867-I871 HydrophobicContact CG-CG1 4.1Å; M867-I871 WeakPolarHBondContact O-CB 3.4Å; M867-I871 VanDerWaalsContact O-CG1 3.27Å; M867-I871 WeakPolarHBondContact O-CG1 3.38Å; M867-I871 PolarHBondContact O-N 2.86Å; M867-I871 HydrophobicContact SD-CD1 4.15Å; I871-A873 VanDerWaalsContact C-N 3.31Å; I871-A873 PolarHBondContact O-N 3.42Å; I871-L883 HydrophobicContact CG1-CD1 4.16Å; I871-L883 HydrophobicContact CG1-CD2 4.2Å; I871-L899 HydrophobicContact CD1-CD1 4.43Å; I871-L899 HydrophobicContact CG2-CD1 3.73Å; I871-L899 HydrophobicContact CG2-CD2 3.43Å; I871-L899 VanDerWaalsContact CG2-CD2 3.43Å; I871-L899 HydrophobicContact CG2-CG 4Å
872R73.3Confident77.2Confident146 Ų14669 Ų6955%0.55136%0.357SS*.THydrogen-bonded Turntrans-77.8-9.2177.8-76-171.9-76.1-95.9-2.7114.8D868 M870D868-R872 WeakPolarHBondContact O-CB 3.38Å; D868-R872 WeakPolarHBondContact O-CG 3.49Å; D868-R872 PolarHBondContact O-N 2.99Å; D868-R872 VanDerWaalsContact O-N 3.07Å; D868-R872 PolarHBondContact O-NE 3.32Å; D868-R872 IonicContact OD1-CZ 3.35Å; D868-R872 IonicContact OD1-NH1 2.86Å; D868-R872 PolarHBondContact OD1-NH1 3.12Å; D868-R872 IonicContact OD1-NH2 3.64Å; D868-R872 IonicContact OD2-CZ 3.13Å; D868-R872 IonicContact OD2-NH1 2.66Å; D868-R872 PolarHBondContact OD2-NH1 3.05Å; D868-R872 IonicContact OD2-NH2 2.82Å; D868-R872 PolarHBondContact OD2-NH2 3.43Å; M870-R872 VanDerWaalsContact C-N 3.32Å; M870-R872 PolarHBondContact O-N 2.83Å
873A76.3Confident78.1Confident46 Ų4665.6 Ų65.638%0.3833%0.328SS..SBendtrans-63.2144.2178.200000111.2K869 M870 I871 K875K869-A873 PolarHBondContact O-N 3.36Å; M870-A873 WeakPolarHBondContact O-CB 3.14Å; M870-A873 PolarHBondContact O-N 3.25Å; I871-A873 VanDerWaalsContact C-N 3.31Å; I871-A873 PolarHBondContact O-N 3.42Å; A873-K875 PolarHBondContact O-N 3.44Å
874K72.7Confident78.7Confident215 Ų21564.8 Ų64.894%0.93532%0.322SS*.SBendtrans-56.9-26-177.6-164.3176.8-176.2177.90113.5
875K77Confident79.2Confident186 Ų18665.7 Ų65.781%0.80933%0.326SS*.SBendtrans-136.595.4171.9-71.2-175.6179.4-179.80108.4A873A873-K875 PolarHBondContact O-N 3.44Å
876P74.2Confident79.6Confident36 Ų3662.1 Ų62.123%0.23430%0.301CS..  trans-62.914417623.1-29.4000110.1V878 V880 L883P876-V878 PolarHBondContact O-N 2.77Å; P876-V880 HydrophobicContact CG-CG2 3.78Å; P876-L883 HydrophobicContact CB-CD1 3.63Å; P876-L883 HydrophobicContact CG-CD1 4.15Å
877P76.2Confident80.1Confident73 Ų7357.4 Ų57.447%0.47428%0.28SS..SBendtrans-72.5-9.7-176.128.1-33.1000113.4A850 M870A850-P877 HydrophobicContact CB-CB 4.08Å; M870-P877 HydrophobicContact CE-CG 3.38Å
878V81.8Confident80.5Confident11 Ų1158.3 Ų58.37%0.06728%0.284CS..SBendtrans-126.1148.1176.5-173.80000107.6A850 F851 V854 P876 V880 I882 L883A850-V878 HydrophobicContact CB-CG2 4.02Å; F851-V878 HydrophobicContact CD2-CG1 4.25Å; V854-V878 HydrophobicContact CG2-CB 4.49Å; V854-V878 HydrophobicContact CG2-CG2 3.73Å; P876-V878 PolarHBondContact O-N 2.77Å; V878-V880 PolarHBondContact O-N 2.85Å; V878-I882 HydrophobicContact CG1-CB 3.77Å; V878-I882 HydrophobicContact CG1-CD1 3.86Å; V878-I882 HydrophobicContact CG1-CG1 4.42Å; V878-I882 HydrophobicContact CG1-CG2 3.57Å; V878-L883 HydrophobicContact CB-CD2 4.49Å
879N84.1Confident80.9Confident87 Ų8758.1 Ų58.147%0.46528%0.283SS..  trans-53.1134.2178.1-176.3-16.8000110.6E881 I882 L883N879-E881 PolarHBondContact O-N 2.82Å; N879-E881 PolarHBondContact OD1-N 2.94Å; N879-I882 HydrophobicContact CB-CD1 4.17Å; N879-I882 HydrophobicContact CB-CG1 4.33Å; N879-I882 WeakPolarHBondContact O-CB 3.45Å; N879-I882 PolarHBondContact O-N 2.83Å; N879-L883 PolarHBondContact O-N 3.05Å; N879-L883 VanDerWaalsContact O-N 3.14Å
880V85Confident81Confident38 Ų3852.2 Ų52.223%0.2326%0.264CS..Hα-helixtrans-53.2-37178.7-177.60000111.8P876 V878 I882 L883 I884 L899 L903P876-V880 HydrophobicContact CG-CG2 3.78Å; V878-V880 PolarHBondContact O-N 2.85Å; V880-I882 VanDerWaalsContact C-N 3.31Å; V880-I882 PolarHBondContact O-N 2.6Å; V880-L883 WeakPolarHBondContact O-CB 3.35Å; V880-L883 PolarHBondContact O-N 2.83Å; V880-L883 VanDerWaalsContact O-N 3.12Å; V880-I884 HydrophobicContact CG1-CD1 4.03Å; V880-I884 HydrophobicContact CG1-CG1 4.42Å; V880-I884 WeakPolarHBondContact O-CG1 3.17Å; V880-I884 PolarHBondContact O-N 2.87Å; V880-L899 HydrophobicContact CG1-CB 4.43Å; V880-L899 HydrophobicContact CG1-CD2 4.37Å; V880-L903 HydrophobicContact CB-CD2 4.35Å; V880-L903 HydrophobicContact CG1-CD2 4.19Å
881E86.5Confident81.4Confident50 Ų5056.7 Ų56.723%0.23429%0.288CS..Hα-helixtrans-59.9-38.2175.9-70.3178.9-164.200112.9N879 K885 L903 R907 F911N879-E881 PolarHBondContact O-N 2.82Å; N879-E881 PolarHBondContact OD1-N 2.94Å; E881-K885 WeakPolarHBondContact O-CB 3.26Å; E881-K885 PolarHBondContact O-N 2.55Å; E881-K885 VanDerWaalsContact O-N 3.16Å; E881-L903 HydrophobicContact CG-CD1 4.15Å; E881-L903 HydrophobicContact CG-CD2 4.26Å; E881-R907 IonicContact OE1-NH1 3.43Å; E881-R907 PolarHBondContact OE1-NH1 2.92Å; E881-F911 HydrophobicContact CB-CE1 4.35Å; E881-F911 HydrophobicContact CB-CE2 4.2Å; E881-F911 HydrophobicContact CB-CZ 3.57Å; E881-F911 HydrophobicContact CG-CE2 3.78Å; E881-F911 HydrophobicContact CG-CZ 3.67Å
882I85.8Confident81.8Confident48 Ų4861.8 Ų61.825%0.24631%0.307CS..Hα-helixtrans-70.4-40.4175-67.2171.5000110.1I798 F851 V878 N879 V880 K885 I886I798-I882 HydrophobicContact CD1-CG2 4.06Å; F851-I882 HydrophobicContact CD2-CD1 4.27Å; F851-I882 HydrophobicContact CD2-CG2 3.84Å; F851-I882 HydrophobicContact CE2-CD1 4.36Å; F851-I882 HydrophobicContact CE2-CG2 3.61Å; V878-I882 HydrophobicContact CG1-CB 3.77Å; V878-I882 HydrophobicContact CG1-CD1 3.86Å; V878-I882 HydrophobicContact CG1-CG1 4.42Å; V878-I882 HydrophobicContact CG1-CG2 3.57Å; N879-I882 HydrophobicContact CB-CD1 4.17Å; N879-I882 HydrophobicContact CB-CG1 4.33Å; N879-I882 WeakPolarHBondContact O-CB 3.45Å; N879-I882 PolarHBondContact O-N 2.83Å; V880-I882 VanDerWaalsContact C-N 3.31Å; V880-I882 PolarHBondContact O-N 2.6Å; I882-K885 PolarHBondContact O-N 3.32Å; I882-I886 HydrophobicContact CG2-CD1 3.75Å; I882-I886 HydrophobicContact CG2-CG1 4.35Å; I882-I886 WeakPolarHBondContact O-CB 3.44Å; I882-I886 WeakPolarHBondContact O-CG1 3.43Å; I882-I886 PolarHBondContact O-N 2.93Å
883L86.4Confident82.3Confident5 Ų556.4 Ų56.43%0.02629%0.289CS..Hα-helixtrans-62-44.5177.2-66.8170.5000111.2V854 I871 P876 V878 N879 V880 K885 I886 C887 L899V854-L883 HydrophobicContact CG1-CD2 3.67Å; V854-L883 HydrophobicContact CG2-CD2 4.24Å; I871-L883 HydrophobicContact CG1-CD1 4.16Å; I871-L883 HydrophobicContact CG1-CD2 4.2Å; P876-L883 HydrophobicContact CB-CD1 3.63Å; P876-L883 HydrophobicContact CG-CD1 4.15Å; V878-L883 HydrophobicContact CB-CD2 4.49Å; N879-L883 PolarHBondContact O-N 3.05Å; N879-L883 VanDerWaalsContact O-N 3.14Å; V880-L883 WeakPolarHBondContact O-CB 3.35Å; V880-L883 PolarHBondContact O-N 2.83Å; V880-L883 VanDerWaalsContact O-N 3.12Å; L883-K885 VanDerWaalsContact C-N 3.3Å; L883-K885 PolarHBondContact O-N 2.83Å; L883-I886 PolarHBondContact O-N 2.78Å; L883-C887 PolarHBondContact O-N 3.26Å; L883-C887 PolarHBondContact O-SG 2.83Å; L883-L899 HydrophobicContact CB-CD1 4.28Å
884I86.9Confident82.8Confident0 Ų059.5 Ų59.50%030%0.299CS..Hα-helixtrans-55.8-48.4174.5-71160.7000110.3V880 I886 C887 I888 A896 L899 I900 L903 F911V880-I884 HydrophobicContact CG1-CD1 4.03Å; V880-I884 HydrophobicContact CG1-CG1 4.42Å; V880-I884 WeakPolarHBondContact O-CG1 3.17Å; V880-I884 PolarHBondContact O-N 2.87Å; I884-I886 PolarHBondContact O-N 2.95Å; I884-C887 WeakPolarHBondContact O-CB 3.34Å; I884-C887 PolarHBondContact O-N 3.41Å; I884-I888 HydrophobicContact CG2-CD1 3.75Å; I884-I888 HydrophobicContact CG2-CG1 4.4Å; I884-I888 VanDerWaalsContact O-CG1 3.3Å; I884-I888 WeakPolarHBondContact O-CG1 3.41Å; I884-I888 PolarHBondContact O-N 2.88Å; I884-A896 HydrophobicContact CG2-CB 4.41Å; I884-L899 HydrophobicContact CD1-CB 4.02Å; I884-L899 HydrophobicContact CG1-CB 3.41Å; I884-L899 VanDerWaalsContact CG1-CB 3.41Å; I884-L899 HydrophobicContact CG1-CD1 4.22Å; I884-L899 HydrophobicContact CG1-CG 4.48Å; I884-I900 HydrophobicContact CD1-CG1 4.04Å; I884-I900 HydrophobicContact CG1-CG1 4.21Å; I884-I900 HydrophobicContact CG2-CD1 4.02Å; I884-I900 HydrophobicContact CG2-CG1 3.6Å; I884-L903 HydrophobicContact CD1-CD1 3.3Å; I884-L903 HydrophobicContact CD1-CG 3.88Å; I884-F911 HydrophobicContact CB-CD1 4.17Å; I884-F911 HydrophobicContact CB-CE1 4.49Å; I884-F911 HydrophobicContact CG2-CB 3.83Å; I884-F911 HydrophobicContact CG2-CD1 3.47Å; I884-F911 VanDerWaalsContact CG2-CD1 3.47Å; I884-F911 HydrophobicContact CG2-CE1 4.24Å; I884-F911 HydrophobicContact CG2-CG 3.75Å
885K86.4Confident83.3Confident30 Ų3051.4 Ų51.413%0.1326%0.264CS..Hα-helixtrans-64.4-39.2-179.3-173.9161.2175.5-158.10112.8N796 I798 E881 I882 L883 I888 D889 M914N796-K885 WeakPolarHBondContact O-CE 3.49Å; N796-K885 PolarHBondContact O-NZ 3.33Å; I798-K885 HydrophobicContact CD1-CB 3.99Å; I798-K885 HydrophobicContact CD1-CD 3.52Å; I798-K885 HydrophobicContact CD1-CG 3.71Å; I798-K885 HydrophobicContact CG1-CD 3.85Å; I798-K885 HydrophobicContact CG1-CG 4.01Å; E881-K885 WeakPolarHBondContact O-CB 3.26Å; E881-K885 PolarHBondContact O-N 2.55Å; E881-K885 VanDerWaalsContact O-N 3.16Å; I882-K885 PolarHBondContact O-N 3.32Å; L883-K885 VanDerWaalsContact C-N 3.3Å; L883-K885 PolarHBondContact O-N 2.83Å; K885-I888 PolarHBondContact O-N 3.01Å; K885-D889 WeakPolarHBondContact O-CB 3.19Å; K885-D889 PolarHBondContact O-N 2.91Å; K885-M914 HydrophobicContact CD-CE 3.92Å; K885-M914 HydrophobicContact CG-CE 3.81Å
886I84.7Confident83.7Confident0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-64.2-40.9172.5-73.6173000111.2I798 L799 V854 V855 A858 W864 M867 I882 L883 I884 D889 G890I798-I886 HydrophobicContact CB-CG1 4.3Å; I798-I886 HydrophobicContact CG2-CD1 4.07Å; I798-I886 HydrophobicContact CG2-CG1 3.72Å; L799-I886 HydrophobicContact CD1-CG2 4.16Å; L799-I886 WeakPolarHBondContact CD1-O 3.41Å; L799-I886 HydrophobicContact CD2-CG1 4.31Å; L799-I886 HydrophobicContact CD2-CG2 4.06Å; L799-I886 HydrophobicContact CG-CG1 4.47Å; L799-I886 HydrophobicContact CG-CG2 4.29Å; V854-I886 HydrophobicContact CB-CD1 4.29Å; V854-I886 HydrophobicContact CG1-CD1 3.47Å; V854-I886 VanDerWaalsContact CG1-CD1 3.47Å; V854-I886 HydrophobicContact CG1-CG2 4.24Å; V855-I886 HydrophobicContact CG2-CD1 4.23Å; A858-I886 HydrophobicContact CB-CG2 3.56Å; W864-I886 HydrophobicContact CH2-CG2 4.13Å; M867-I886 HydrophobicContact CE-CG2 4.29Å; M867-I886 HydrophobicContact SD-CG2 4.22Å; I882-I886 HydrophobicContact CG2-CD1 3.75Å; I882-I886 HydrophobicContact CG2-CG1 4.35Å; I882-I886 WeakPolarHBondContact O-CB 3.44Å; I882-I886 WeakPolarHBondContact O-CG1 3.43Å; I882-I886 PolarHBondContact O-N 2.93Å; L883-I886 PolarHBondContact O-N 2.78Å; I884-I886 PolarHBondContact O-N 2.95Å; I886-D889 PolarHBondContact O-N 2.94Å; I886-G890 PolarHBondContact O-N 3.29Å
887C85.7Confident84.4Confident0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-62.8-42173.9-68.90000112.2L883 I884 G890 N891 R892 A896L883-C887 PolarHBondContact O-N 3.26Å; L883-C887 PolarHBondContact O-SG 2.83Å; I884-C887 WeakPolarHBondContact O-CB 3.34Å; I884-C887 PolarHBondContact O-N 3.41Å; C887-G890 CarbonylContact O-C 3.56Å; C887-G890 PolarHBondContact O-N 3.18Å; C887-N891 PolarHBondContact O-N 3.39Å; C887-R892 PolarHBondContact O-N 2.89Å; C887-A896 HydrophobicContact CB-CB 3.78Å
888I85.8Confident84.9Confident19 Ų1944.3 Ų44.310%0.09723%0.225CC..Hα-helixtrans-64.1-49.6176.5-67.9168.6000110.4I884 K885 G890 N891 I893 A896 M914 A915I884-I888 HydrophobicContact CG2-CD1 3.75Å; I884-I888 HydrophobicContact CG2-CG1 4.4Å; I884-I888 VanDerWaalsContact O-CG1 3.3Å; I884-I888 WeakPolarHBondContact O-CG1 3.41Å; I884-I888 PolarHBondContact O-N 2.88Å; K885-I888 PolarHBondContact O-N 3.01Å; I888-G890 PolarHBondContact O-N 3.36Å; I888-N891 PolarHBondContact O-N 2.8Å; I888-I893 HydrophobicContact CG1-CD1 4.47Å; I888-I893 HydrophobicContact CG2-CD1 4.36Å; I888-A896 HydrophobicContact CD1-CB 4.45Å; I888-A896 HydrophobicContact CG1-CB 3.68Å; I888-M914 HydrophobicContact CD1-CB 3.74Å; I888-M914 HydrophobicContact CG2-CB 4.34Å; I888-M914 VanDerWaalsContact CG2-O 3.29Å; I888-M914 WeakPolarHBondContact CG2-O 3.44Å; I888-A915 HydrophobicContact CD1-CB 4.15Å; I888-A915 HydrophobicContact CG1-CB 4.31Å
889D83Confident85.1Confident29 Ų2944.1 Ų44.116%0.15522%0.224CC..Hα-helixtrans-62.9-31.8178.7-68.7-20.7000111.9I798 L799 K885 I886 N891I798-D889 PolarHBondContact N-OD2 3.46Å; L799-D889 HydrophobicContact CB-CB 3.87Å; L799-D889 HydrophobicContact CD1-CB 3.81Å; L799-D889 HydrophobicContact CG-CB 3.88Å; L799-D889 PolarHBondContact N-OD2 3.16Å; K885-D889 WeakPolarHBondContact O-CB 3.19Å; K885-D889 PolarHBondContact O-N 2.91Å; I886-D889 PolarHBondContact O-N 2.94Å; D889-N891 VanDerWaalsContact C-N 3.26Å; D889-N891 PolarHBondContact O-N 3.08Å
890G79.3Confident85.3Confident22 Ų2240 Ų4023%0.22720%0.201CC..THydrogen-bonded Turntrans-82.18176.100000114.9I886 C887 I888 R892I886-G890 PolarHBondContact O-N 3.29Å; C887-G890 CarbonylContact O-C 3.56Å; C887-G890 PolarHBondContact O-N 3.18Å; I888-G890 PolarHBondContact O-N 3.36Å; G890-R892 PolarHBondContact O-N 3.48Å
891N82.5Confident85.2Confident136 Ų13642.1 Ų42.173%0.72722%0.219SC*.THydrogen-bonded Turntrans5728.6-177.6-159.434.3000114.4C887 I888 D889C887-N891 PolarHBondContact O-N 3.39Å; I888-N891 PolarHBondContact O-N 2.8Å; D889-N891 VanDerWaalsContact C-N 3.26Å; D889-N891 PolarHBondContact O-N 3.08Å
892R84.3Confident85.1Confident120 Ų12046.8 Ų46.845%0.45324%0.238SC..  trans-102.660.8174.7-62.6-66.2-107.8-126.3-3109.7W864 C887 G890 D894 E895 A896W864-R892 HydrophobicContact CD2-CG 4.26Å; W864-R892 HydrophobicContact CE3-CG 4.27Å; W864-R892 HydrophobicContact CH2-CG 4.26Å; W864-R892 HydrophobicContact CZ2-CG 4.23Å; W864-R892 HydrophobicContact CZ3-CG 4.27Å; C887-R892 PolarHBondContact O-N 2.89Å; G890-R892 PolarHBondContact O-N 3.48Å; R892-D894 VanDerWaalsContact C-N 3.28Å; R892-D894 PolarHBondContact O-N 2.93Å; R892-E895 HydrophobicContact CB-CB 4.49Å; R892-E895 PolarHBondContact O-N 2.63Å; R892-A896 PolarHBondContact O-N 2.89Å; R892-A896 VanDerWaalsContact O-N 3.09Å
893I84.5Confident85.1Confident34 Ų3445.8 Ų45.817%0.17423%0.233CC..Hα-helixtrans-58.9-39.4-174.5-55.3-57.8000111.3I888 E895 A896 V897 A915I888-I893 HydrophobicContact CG1-CD1 4.47Å; I888-I893 HydrophobicContact CG2-CD1 4.36Å; I893-E895 VanDerWaalsContact C-N 3.34Å; I893-E895 PolarHBondContact O-N 3.27Å; I893-A896 CarbonylContact O-C 3.52Å; I893-A896 WeakPolarHBondContact O-CA 3.35Å; I893-A896 WeakPolarHBondContact O-CB 3.46Å; I893-A896 PolarHBondContact O-N 3.43Å; I893-A896 VanDerWaalsContact O-N 3.12Å; I893-V897 HydrophobicContact CG2-CG2 4.07Å; I893-V897 WeakPolarHBondContact O-CG2 3.37Å; I893-V897 PolarHBondContact O-N 2.97Å; I893-A915 HydrophobicContact CG2-CB 4.18Å
894D85.5Confident85.1Confident111 Ų11148.4 Ų48.459%0.59425%0.25SS*.Hα-helixtrans-62.9-37.1-179.1-58.8-41.8000113.5R892 K898R892-D894 VanDerWaalsContact C-N 3.28Å; R892-D894 PolarHBondContact O-N 2.93Å; D894-K898 WeakPolarHBondContact O-CG 3.44Å; D894-K898 PolarHBondContact O-N 3.1Å
895E83.6Confident84.9Confident45 Ų4550.7 Ų50.721%0.2127%0.265CS..Hα-helixtrans-73.9-36.6174.6-65.5-55.2144.300111.4R892 I893 V897 K898 L899R892-E895 HydrophobicContact CB-CB 4.49Å; R892-E895 PolarHBondContact O-N 2.63Å; I893-E895 VanDerWaalsContact C-N 3.34Å; I893-E895 PolarHBondContact O-N 3.27Å; E895-V897 PolarHBondContact O-N 2.76Å; E895-K898 PolarHBondContact O-N 3.18Å; E895-K898 IonicContact OE1-NZ 2.72Å; E895-K898 PolarHBondContact OE1-NZ 3.38Å; E895-K898 IonicContact OE2-NZ 3.45Å; E895-K898 PolarHBondContact OE2-NZ 3.02Å; E895-L899 WeakPolarHBondContact O-CG 3.4Å; E895-L899 PolarHBondContact O-N 3.48Å; E895-L899 VanDerWaalsContact O-N 3.14Å
896A86Confident84.8Confident0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-59.4-46.8172.500000110.9I884 C887 I888 R892 I893 K898 L899 I900I884-A896 HydrophobicContact CG2-CB 4.41Å; C887-A896 HydrophobicContact CB-CB 3.78Å; I888-A896 HydrophobicContact CD1-CB 4.45Å; I888-A896 HydrophobicContact CG1-CB 3.68Å; R892-A896 PolarHBondContact O-N 2.89Å; R892-A896 VanDerWaalsContact O-N 3.09Å; I893-A896 CarbonylContact O-C 3.52Å; I893-A896 WeakPolarHBondContact O-CA 3.35Å; I893-A896 WeakPolarHBondContact O-CB 3.46Å; I893-A896 PolarHBondContact O-N 3.43Å; I893-A896 VanDerWaalsContact O-N 3.12Å; A896-K898 VanDerWaalsContact C-N 3.34Å; A896-K898 PolarHBondContact O-N 3.19Å; A896-L899 CarbonylContact O-C 3.57Å; A896-L899 WeakPolarHBondContact O-CA 3.44Å; A896-L899 PolarHBondContact O-N 3.36Å; A896-I900 WeakPolarHBondContact O-CG1 3.45Å; A896-I900 PolarHBondContact O-N 3.44Å
897V88.3Confident84.9Confident35 Ų3561.9 Ų61.921%0.21231%0.311CS..Hα-helixtrans-56.2-45.6178.1168.90000111.4I893 E895 L899 I900 S901 W912I893-V897 HydrophobicContact CG2-CG2 4.07Å; I893-V897 WeakPolarHBondContact O-CG2 3.37Å; I893-V897 PolarHBondContact O-N 2.97Å; E895-V897 PolarHBondContact O-N 2.76Å; V897-L899 VanDerWaalsContact C-N 3.28Å; V897-L899 PolarHBondContact O-N 3.04Å; V897-I900 PolarHBondContact O-N 2.94Å; V897-S901 PolarHBondContact O-N 2.9Å; V897-W912 HydrophobicContact CB-CZ3 4.22Å; V897-W912 HydrophobicContact CG1-CH2 3.87Å; V897-W912 HydrophobicContact CG1-CZ3 3.86Å; V897-W912 HydrophobicContact CG2-CZ3 3.93Å
898K86.2Confident85.2Confident110 Ų11062.2 Ų62.248%0.47831%0.313SS..Hα-helixtrans-60.5-37.6175.4-68.5171.8-164.7167.60112.1D894 E895 A896 S901D894-K898 WeakPolarHBondContact O-CG 3.44Å; D894-K898 PolarHBondContact O-N 3.1Å; E895-K898 PolarHBondContact O-N 3.18Å; E895-K898 IonicContact OE1-NZ 2.72Å; E895-K898 PolarHBondContact OE1-NZ 3.38Å; E895-K898 IonicContact OE2-NZ 3.45Å; E895-K898 PolarHBondContact OE2-NZ 3.02Å; A896-K898 VanDerWaalsContact C-N 3.34Å; A896-K898 PolarHBondContact O-N 3.19Å; K898-S901 PolarHBondContact O-OG 3.14Å
899L85.6Confident85.4Confident7 Ų761.3 Ų61.34%0.03731%0.309CS..Hα-helixtrans-76.8-36.9178-68.1172.2000113I871 V880 L883 I884 E895 A896 V897 S901 K902I871-L899 HydrophobicContact CD1-CD1 4.43Å; I871-L899 HydrophobicContact CG2-CD1 3.73Å; I871-L899 HydrophobicContact CG2-CD2 3.43Å; I871-L899 VanDerWaalsContact CG2-CD2 3.43Å; I871-L899 HydrophobicContact CG2-CG 4Å; V880-L899 HydrophobicContact CG1-CB 4.43Å; V880-L899 HydrophobicContact CG1-CD2 4.37Å; L883-L899 HydrophobicContact CB-CD1 4.28Å; I884-L899 HydrophobicContact CD1-CB 4.02Å; I884-L899 HydrophobicContact CG1-CB 3.41Å; I884-L899 VanDerWaalsContact CG1-CB 3.41Å; I884-L899 HydrophobicContact CG1-CD1 4.22Å; I884-L899 HydrophobicContact CG1-CG 4.48Å; E895-L899 WeakPolarHBondContact O-CG 3.4Å; E895-L899 PolarHBondContact O-N 3.48Å; E895-L899 VanDerWaalsContact O-N 3.14Å; A896-L899 CarbonylContact O-C 3.57Å; A896-L899 WeakPolarHBondContact O-CA 3.44Å; A896-L899 PolarHBondContact O-N 3.36Å; V897-L899 VanDerWaalsContact C-N 3.28Å; V897-L899 PolarHBondContact O-N 3.04Å; L899-S901 VanDerWaalsContact C-N 3.26Å; L899-S901 PolarHBondContact O-N 2.99Å; L899-K902 WeakPolarHBondContact O-CB 3.43Å; L899-K902 PolarHBondContact O-N 2.7Å; L899-K902 VanDerWaalsContact O-N 3.08Å
900I88.4Confident85.7Confident0 Ų065.1 Ų65.10%032%0.321CS..Hα-helixtrans-60.7-40.7175.8-63.9163.1000109.7I884 A896 V897 K902 L903 T908 F911 W912 A915I884-I900 HydrophobicContact CD1-CG1 4.04Å; I884-I900 HydrophobicContact CG1-CG1 4.21Å; I884-I900 HydrophobicContact CG2-CD1 4.02Å; I884-I900 HydrophobicContact CG2-CG1 3.6Å; A896-I900 WeakPolarHBondContact O-CG1 3.45Å; A896-I900 PolarHBondContact O-N 3.44Å; V897-I900 PolarHBondContact O-N 2.94Å; I900-K902 PolarHBondContact O-N 2.81Å; I900-K902 VanDerWaalsContact O-N 3.08Å; I900-L903 WeakPolarHBondContact O-CB 3.3Å; I900-L903 PolarHBondContact O-N 2.67Å; I900-T908 HydrophobicContact CG2-CG2 3.87Å; I900-T908 WeakPolarHBondContact O-CG2 3.29Å; I900-F911 HydrophobicContact CD1-CB 3.69Å; I900-F911 HydrophobicContact CG1-CB 3.62Å; I900-F911 HydrophobicContact CG1-CG 4.49Å; I900-F911 HydrophobicContact CG2-CB 4.3Å; I900-W912 HydrophobicContact CB-CH2 4.28Å; I900-W912 HydrophobicContact CB-CZ2 4.1Å; I900-W912 HydrophobicContact CD1-CD2 4.43Å; I900-W912 HydrophobicContact CD1-CE3 4.12Å; I900-W912 HydrophobicContact CD1-CZ3 4.4Å; I900-W912 HydrophobicContact CG2-CD2 3.67Å; I900-W912 HydrophobicContact CG2-CE3 4.24Å; I900-W912 HydrophobicContact CG2-CG 4.11Å; I900-W912 HydrophobicContact CG2-CH2 4.15Å; I900-W912 HydrophobicContact CG2-CZ2 3.53Å; I900-W912 HydrophobicContact CG2-CZ3 4.47Å; I900-A915 HydrophobicContact CD1-CB 4.14Å
901S84.7Confident86.2Confident84 Ų8464.7 Ų64.759%0.58731%0.313SS*.THydrogen-bonded Turntrans-62.2-16.3176.974.80000115V897 K898 L899V897-S901 PolarHBondContact O-N 2.9Å; K898-S901 PolarHBondContact O-OG 3.14Å; L899-S901 VanDerWaalsContact C-N 3.26Å; L899-S901 PolarHBondContact O-N 2.99Å
902K84.2Confident86.7Confident147 Ų14759.4 Ų59.464%0.63928%0.283SS*.THydrogen-bonded Turntrans-90.4-10176.2-64.8-179.9-179.81780113.3L899 I900L899-K902 WeakPolarHBondContact O-CB 3.43Å; L899-K902 PolarHBondContact O-N 2.7Å; L899-K902 VanDerWaalsContact O-N 3.08Å; I900-K902 PolarHBondContact O-N 2.81Å; I900-K902 VanDerWaalsContact O-N 3.08Å
903L85.7Confident86.9Confident27 Ų2754.3 Ų54.314%0.14127%0.265CS..SBendtrans-84.2151.9177.6-68.3179.4000110.8V880 E881 I884 I900 T908 F911V880-L903 HydrophobicContact CB-CD2 4.35Å; V880-L903 HydrophobicContact CG1-CD2 4.19Å; E881-L903 HydrophobicContact CG-CD1 4.15Å; E881-L903 HydrophobicContact CG-CD2 4.26Å; I884-L903 HydrophobicContact CD1-CD1 3.3Å; I884-L903 HydrophobicContact CD1-CG 3.88Å; I900-L903 WeakPolarHBondContact O-CB 3.3Å; I900-L903 PolarHBondContact O-N 2.67Å; L903-T908 HydrophobicContact CB-CG2 3.85Å; L903-F911 HydrophobicContact CD1-CD2 3.66Å; L903-F911 HydrophobicContact CD1-CE2 3.71Å
904P85.7Confident86.9Confident61 Ų6154.9 Ų54.940%0.39627%0.268SS..  trans-55.9139.6168.2-21.933000111E906 R907 T908P904-E906 WeakPolarHBondContact CB-OE2 3.33Å; P904-E906 PolarHBondContact O-N 2.87Å; P904-E906 VanDerWaalsContact O-N 3.11Å; P904-R907 PolarHBondContact O-N 3.17Å; P904-T908 WeakPolarHBondContact O-CG2 3.46Å
905P83.4Confident86.9Confident47 Ų4750 Ų5031%0.30524%0.242SC..G310 helixtrans-54.7-36.5-17122.1-32.7000112.8R907 T908 V924 E928P905-R907 PolarHBondContact O-N 2.78Å; P905-T908 PolarHBondContact O-N 3.2Å; P905-T908 PolarHBondContact O-OG1 3.02Å; P905-V924 HydrophobicContact CB-CG1 4.18Å; P905-V924 WeakPolarHBondContact O-CG1 3.31Å; P905-E928 HydrophobicContact CB-CG 4.21Å
906E84.1Confident87Confident115 Ų11550.3 Ų50.354%0.53726%0.258SS..G310 helixtrans-63.1-17.1-179.1-4484.5171.500113P904P904-E906 WeakPolarHBondContact CB-OE2 3.33Å; P904-E906 PolarHBondContact O-N 2.87Å; P904-E906 VanDerWaalsContact O-N 3.11Å
907R87.2Confident87.2Confident151 Ų15155.6 Ų55.657%0.5728%0.278SS*.G310 helixtrans-107.6-4.3179.1-58.6-170.3-174.7-170.63.4113.6E881 P904 P905 F911E881-R907 IonicContact OE1-NH1 3.43Å; E881-R907 PolarHBondContact OE1-NH1 2.92Å; P904-R907 PolarHBondContact O-N 3.17Å; P905-R907 PolarHBondContact O-N 2.78Å; R907-F911 WeakPolarHBondContact O-CD2 3.39Å; R907-F911 WeakPolarHBondContact O-CE2 3.24Å
908T91.1Very high87.2Confident6 Ų655.6 Ų55.64%0.03728%0.276CS..THydrogen-bonded Turntrans-84.1-31.5-172.862.30000113.6I900 L903 P904 P905 R910 F911 W912I900-T908 HydrophobicContact CG2-CG2 3.87Å; I900-T908 WeakPolarHBondContact O-CG2 3.29Å; L903-T908 HydrophobicContact CB-CG2 3.85Å; P904-T908 WeakPolarHBondContact O-CG2 3.46Å; P905-T908 PolarHBondContact O-N 3.2Å; P905-T908 PolarHBondContact O-OG1 3.02Å; T908-R910 VanDerWaalsContact C-N 3.33Å; T908-R910 PolarHBondContact O-N 2.78Å; T908-F911 PolarHBondContact O-N 2.67Å; T908-W912 VanDerWaalsContact O-CD1 3.28Å; T908-W912 PolarHBondContact O-N 2.93Å; T908-W912 PolarHBondContact OG1-NE1 2.81Å
909V89.5Confident87.4Confident1 Ų154 Ų541%0.00627%0.271CS..Hα-helixtrans-50.9-50.7-171.8174.50000111.8F911 W912 V913 A921 V924 A925 D933 Y936 I937V909-F911 VanDerWaalsContact C-N 3.28Å; V909-F911 PolarHBondContact O-N 2.88Å; V909-W912 PolarHBondContact O-N 2.81Å; V909-V913 HydrophobicContact CG1-CG2 4.47Å; V909-V913 WeakPolarHBondContact O-CG2 3.44Å; V909-V913 PolarHBondContact O-N 2.92Å; V909-A921 HydrophobicContact CG1-CB 4.3Å; V909-V924 HydrophobicContact CG2-CB 4.09Å; V909-V924 HydrophobicContact CG2-CG1 3.73Å; V909-A925 HydrophobicContact CG2-CB 4.41Å; V909-D933 HydrophobicContact CB-CB 4.32Å; V909-D933 HydrophobicContact CG1-CB 3.93Å; V909-D933 HydrophobicContact CG2-CB 4.01Å; V909-Y936 HydrophobicContact CG1-CD1 4.44Å; V909-I937 HydrophobicContact CG1-CD1 3.84Å; V909-I937 HydrophobicContact CG1-CG1 3.87Å
910R89.5Confident87.7Confident108 Ų10856.7 Ų56.741%0.40828%0.283SS..Hα-helixtrans-56.6-41.9179.3-177.6179177.8179.53.3112.4T908 M914 Y936T908-R910 VanDerWaalsContact C-N 3.33Å; T908-R910 PolarHBondContact O-N 2.78Å; R910-M914 HydrophobicContact CG-SD 4.22Å; R910-M914 WeakPolarHBondContact O-CB 3.47Å; R910-M914 VanDerWaalsContact O-CG 3.25Å; R910-M914 WeakPolarHBondContact O-CG 3.49Å; R910-M914 PolarHBondContact O-N 3.38Å; R910-Y936 HydrophobicContact CB-CE1 4.23Å; R910-Y936 HydrophobicContact CG-CE1 4.21Å
911F90.7Very high87.7Confident13 Ų1356.7 Ų56.76%0.05728%0.283CS..Hα-helixtrans-76-33.4-178.4-60.6-68.2000112.7E881 I884 I900 L903 R907 T908 V909 V913 M914 A915E881-F911 HydrophobicContact CB-CE1 4.35Å; E881-F911 HydrophobicContact CB-CE2 4.2Å; E881-F911 HydrophobicContact CB-CZ 3.57Å; E881-F911 HydrophobicContact CG-CE2 3.78Å; E881-F911 HydrophobicContact CG-CZ 3.67Å; I884-F911 HydrophobicContact CB-CD1 4.17Å; I884-F911 HydrophobicContact CB-CE1 4.49Å; I884-F911 HydrophobicContact CG2-CB 3.83Å; I884-F911 HydrophobicContact CG2-CD1 3.47Å; I884-F911 VanDerWaalsContact CG2-CD1 3.47Å; I884-F911 HydrophobicContact CG2-CE1 4.24Å; I884-F911 HydrophobicContact CG2-CG 3.75Å; I900-F911 HydrophobicContact CD1-CB 3.69Å; I900-F911 HydrophobicContact CG1-CB 3.62Å; I900-F911 HydrophobicContact CG1-CG 4.49Å; I900-F911 HydrophobicContact CG2-CB 4.3Å; L903-F911 HydrophobicContact CD1-CD2 3.66Å; L903-F911 HydrophobicContact CD1-CE2 3.71Å; R907-F911 WeakPolarHBondContact O-CD2 3.39Å; R907-F911 WeakPolarHBondContact O-CE2 3.24Å; T908-F911 PolarHBondContact O-N 2.67Å; V909-F911 VanDerWaalsContact C-N 3.28Å; V909-F911 PolarHBondContact O-N 2.88Å; F911-V913 VanDerWaalsContact C-N 3.34Å; F911-M914 PolarHBondContact O-N 2.82Å; F911-A915 WeakPolarHBondContact O-CB 3.34Å; F911-A915 PolarHBondContact O-N 2.8Å
912W91.5Very high88Confident26 Ų2652.9 Ų52.910%0.09826%0.256CS..Hα-helixtrans-62.3-42.9170.9-70.8126.8000111.7V897 I900 T908 V909 A915 G916 R917 E920 A921V897-W912 HydrophobicContact CB-CZ3 4.22Å; V897-W912 HydrophobicContact CG1-CH2 3.87Å; V897-W912 HydrophobicContact CG1-CZ3 3.86Å; V897-W912 HydrophobicContact CG2-CZ3 3.93Å; I900-W912 HydrophobicContact CB-CH2 4.28Å; I900-W912 HydrophobicContact CB-CZ2 4.1Å; I900-W912 HydrophobicContact CD1-CD2 4.43Å; I900-W912 HydrophobicContact CD1-CE3 4.12Å; I900-W912 HydrophobicContact CD1-CZ3 4.4Å; I900-W912 HydrophobicContact CG2-CD2 3.67Å; I900-W912 HydrophobicContact CG2-CE3 4.24Å; I900-W912 HydrophobicContact CG2-CG 4.11Å; I900-W912 HydrophobicContact CG2-CH2 4.15Å; I900-W912 HydrophobicContact CG2-CZ2 3.53Å; I900-W912 HydrophobicContact CG2-CZ3 4.47Å; T908-W912 VanDerWaalsContact O-CD1 3.28Å; T908-W912 PolarHBondContact O-N 2.93Å; T908-W912 PolarHBondContact OG1-NE1 2.81Å; V909-W912 PolarHBondContact O-N 2.81Å; W912-A915 PolarHBondContact O-N 3.09Å; W912-G916 PolarHBondContact O-N 2.99Å; W912-R917 HydrophobicContact CE3-CB 4Å; W912-R917 HydrophobicContact CE3-CG 4.38Å; W912-R917 PolarHBondContact O-N 3Å; W912-E920 HydrophobicContact CD2-CB 3.89Å; W912-E920 HydrophobicContact CE3-CB 3.98Å; W912-E920 HydrophobicContact CG-CB 4.18Å; W912-E920 HydrophobicContact CZ3-CB 4.42Å; W912-E920 WeakPolarHBondContact CZ3-OE2 3.33Å; W912-A921 HydrophobicContact CB-CB 3.67Å
913V88.5Confident88.4Confident13 Ų1351 Ų518%0.07925%0.249CC..Hα-helixtrans-61.6-47.5173.9175.80000110.9V909 F911 A915 G916 I918 A921 Y936 I937 E940V909-V913 HydrophobicContact CG1-CG2 4.47Å; V909-V913 WeakPolarHBondContact O-CG2 3.44Å; V909-V913 PolarHBondContact O-N 2.92Å; F911-V913 VanDerWaalsContact C-N 3.34Å; V913-A915 VanDerWaalsContact C-N 3.29Å; V913-A915 PolarHBondContact O-N 2.87Å; V913-G916 PolarHBondContact O-N 3.26Å; V913-G916 VanDerWaalsContact O-N 3.09Å; V913-I918 HydrophobicContact CB-CD1 4.36Å; V913-I918 HydrophobicContact CG1-CD1 4.04Å; V913-I918 HydrophobicContact CG2-CD1 4.31Å; V913-A921 HydrophobicContact CG2-CB 3.67Å; V913-Y936 HydrophobicContact CB-CE1 4.11Å; V913-Y936 HydrophobicContact CG1-CE1 4.23Å; V913-Y936 HydrophobicContact CG2-CD1 4.42Å; V913-Y936 HydrophobicContact CG2-CE1 4.09Å; V913-I937 HydrophobicContact CG2-CB 4.5Å; V913-I937 HydrophobicContact CG2-CG1 3.72Å; V913-E940 HydrophobicContact CG1-CB 3.67Å; V913-E940 HydrophobicContact CG1-CG 3.85Å
914M85.2Confident88.6Confident46 Ų4650.3 Ų50.323%0.22725%0.247CC..Hα-helixtrans-63.6-32.1177.3-71.9-179.465.100113.3K885 I888 R910 F911 G916K885-M914 HydrophobicContact CD-CE 3.92Å; K885-M914 HydrophobicContact CG-CE 3.81Å; I888-M914 HydrophobicContact CD1-CB 3.74Å; I888-M914 HydrophobicContact CG2-CB 4.34Å; I888-M914 VanDerWaalsContact CG2-O 3.29Å; I888-M914 WeakPolarHBondContact CG2-O 3.44Å; R910-M914 HydrophobicContact CG-SD 4.22Å; R910-M914 WeakPolarHBondContact O-CB 3.47Å; R910-M914 VanDerWaalsContact O-CG 3.25Å; R910-M914 WeakPolarHBondContact O-CG 3.49Å; R910-M914 PolarHBondContact O-N 3.38Å; F911-M914 PolarHBondContact O-N 2.82Å; M914-G916 PolarHBondContact O-N 2.82Å
915A86.7Confident88.8Confident7 Ų747.4 Ų47.46%0.05823%0.228CC..THydrogen-bonded Turntrans-77.8-1.1176.400000113.5I888 I893 I900 F911 W912 V913 R917I888-A915 HydrophobicContact CD1-CB 4.15Å; I888-A915 HydrophobicContact CG1-CB 4.31Å; I893-A915 HydrophobicContact CG2-CB 4.18Å; I900-A915 HydrophobicContact CD1-CB 4.14Å; F911-A915 WeakPolarHBondContact O-CB 3.34Å; F911-A915 PolarHBondContact O-N 2.8Å; W912-A915 PolarHBondContact O-N 3.09Å; V913-A915 VanDerWaalsContact C-N 3.29Å; V913-A915 PolarHBondContact O-N 2.87Å; A915-R917 VanDerWaalsContact C-N 3.27Å; A915-R917 PolarHBondContact O-N 3.21Å
916G85.2Confident89.1Confident53 Ų5347.9 Ų47.955%0.54623%0.23SC..THydrogen-bonded Turntrans7610.9-177.900000114.3W912 V913 M914 I918W912-G916 PolarHBondContact O-N 2.99Å; V913-G916 PolarHBondContact O-N 3.26Å; V913-G916 VanDerWaalsContact O-N 3.09Å; M914-G916 PolarHBondContact O-N 2.82Å; G916-I918 PolarHBondContact O-N 2.96Å
917R89.6Confident89.4Confident110 Ų11050.8 Ų50.842%0.41524%0.236SC..  trans-99.768.9-179.4-64.6-77.1-170.3-108.5-0.9110.9W912 A915 E919 E920 A921W912-R917 HydrophobicContact CE3-CB 4Å; W912-R917 HydrophobicContact CE3-CG 4.38Å; W912-R917 PolarHBondContact O-N 3Å; A915-R917 VanDerWaalsContact C-N 3.27Å; A915-R917 PolarHBondContact O-N 3.21Å; R917-E919 VanDerWaalsContact C-N 3.31Å; R917-E919 PolarHBondContact O-N 3.31Å; R917-E920 HydrophobicContact CB-CB 4.26Å; R917-E920 HydrophobicContact CB-CG 4.41Å; R917-E920 WeakPolarHBondContact CB-OE2 3.33Å; R917-E920 WeakPolarHBondContact CD-OE2 3.43Å; R917-E920 WeakPolarHBondContact CG-OE2 3.42Å; R917-E920 PolarHBondContact O-N 3.31Å; R917-A921 PolarHBondContact O-N 2.94Å
918I89Confident89.5Confident35 Ų3547.1 Ų47.118%0.17923%0.225CC..Hα-helixtrans-62.4-36.4-174.2-56.1-60.4000112.3V913 G916 E920 A921 I922 I937 V941V913-I918 HydrophobicContact CB-CD1 4.36Å; V913-I918 HydrophobicContact CG1-CD1 4.04Å; V913-I918 HydrophobicContact CG2-CD1 4.31Å; G916-I918 PolarHBondContact O-N 2.96Å; I918-E920 PolarHBondContact O-N 3.41Å; I918-A921 WeakPolarHBondContact O-CB 3.09Å; I918-A921 PolarHBondContact O-N 2.94Å; I918-I922 HydrophobicContact CG2-CD1 3.89Å; I918-I922 HydrophobicContact CG2-CG1 4.29Å; I918-I922 VanDerWaalsContact O-CG1 3.31Å; I918-I922 WeakPolarHBondContact O-CG1 3.38Å; I918-I922 PolarHBondContact O-N 2.95Å; I918-I937 HydrophobicContact CG2-CG2 3.9Å; I918-V941 HydrophobicContact CD1-CG2 4.31Å; I918-V941 HydrophobicContact CG1-CG2 4.47Å; I918-V941 HydrophobicContact CG2-CG2 3.85Å
919E90.4Very high89.4Confident77 Ų7754.6 Ų54.636%0.3626%0.257SS..Hα-helixtrans-63.9-39.7178.6-70.5-63.215300112.7R917 A921 I922 Q923 R951R917-E919 VanDerWaalsContact C-N 3.31Å; R917-E919 PolarHBondContact O-N 3.31Å; E919-A921 VanDerWaalsContact C-N 3.34Å; E919-I922 PolarHBondContact O-N 2.8Å; E919-Q923 WeakPolarHBondContact O-CB 3.41Å; E919-Q923 VanDerWaalsContact O-CG 3.28Å; E919-Q923 WeakPolarHBondContact O-CG 3.3Å; E919-Q923 PolarHBondContact O-N 3.12Å; E919-R951 IonicContact OE1-NH1 2.81Å; E919-R951 PolarHBondContact OE1-NH1 3.21Å; E919-R951 IonicContact OE2-CZ 3.52Å; E919-R951 IonicContact OE2-NH1 2.87Å; E919-R951 PolarHBondContact OE2-NH1 3Å; E919-R951 IonicContact OE2-NH2 3.27Å; E919-R951 PolarHBondContact OE2-NH2 3.02Å
920E90.8Very high89.3Confident64 Ų6455.8 Ų55.830%0.29927%0.265SS..Hα-helixtrans-67.5-38.9176.7-67.7161.4174.200110.2W912 R917 I918 Q923 V924W912-E920 HydrophobicContact CD2-CB 3.89Å; W912-E920 HydrophobicContact CE3-CB 3.98Å; W912-E920 HydrophobicContact CG-CB 4.18Å; W912-E920 HydrophobicContact CZ3-CB 4.42Å; W912-E920 WeakPolarHBondContact CZ3-OE2 3.33Å; R917-E920 HydrophobicContact CB-CB 4.26Å; R917-E920 HydrophobicContact CB-CG 4.41Å; R917-E920 WeakPolarHBondContact CB-OE2 3.33Å; R917-E920 WeakPolarHBondContact CD-OE2 3.43Å; R917-E920 WeakPolarHBondContact CG-OE2 3.42Å; R917-E920 PolarHBondContact O-N 3.31Å; I918-E920 PolarHBondContact O-N 3.41Å; E920-Q923 PolarHBondContact O-N 3.48Å; E920-V924 WeakPolarHBondContact O-CG2 3.5Å; E920-V924 PolarHBondContact O-N 2.85Å
921A90Very high89.3Confident0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-60.6-45.2172.600000112.1V909 W912 V913 R917 I918 E919 V924 A925 I937V909-A921 HydrophobicContact CG1-CB 4.3Å; W912-A921 HydrophobicContact CB-CB 3.67Å; V913-A921 HydrophobicContact CG2-CB 3.67Å; R917-A921 PolarHBondContact O-N 2.94Å; I918-A921 WeakPolarHBondContact O-CB 3.09Å; I918-A921 PolarHBondContact O-N 2.94Å; E919-A921 VanDerWaalsContact C-N 3.34Å; A921-V924 PolarHBondContact O-N 2.88Å; A921-A925 WeakPolarHBondContact O-CB 3.35Å; A921-A925 PolarHBondContact O-N 3.39Å; A921-I937 HydrophobicContact CB-CD1 3.88Å; A921-I937 HydrophobicContact CB-CG1 4.14Å
922I90.7Very high89.2Confident3 Ų361.6 Ų61.62%0.01529%0.291CS..Hα-helixtrans-63.6-44.8177.3-68.5168.6000110.4I918 E919 V924 A925 V926 I937 L948 I952 L955I918-I922 HydrophobicContact CG2-CD1 3.89Å; I918-I922 HydrophobicContact CG2-CG1 4.29Å; I918-I922 VanDerWaalsContact O-CG1 3.31Å; I918-I922 WeakPolarHBondContact O-CG1 3.38Å; I918-I922 PolarHBondContact O-N 2.95Å; E919-I922 PolarHBondContact O-N 2.8Å; I922-V924 VanDerWaalsContact C-N 3.32Å; I922-V924 PolarHBondContact O-N 3.45Å; I922-A925 PolarHBondContact O-N 3.18Å; I922-V926 HydrophobicContact CG2-CG2 4.11Å; I922-V926 WeakPolarHBondContact O-CB 3.4Å; I922-V926 VanDerWaalsContact O-CG2 3.25Å; I922-V926 WeakPolarHBondContact O-CG2 3.32Å; I922-V926 PolarHBondContact O-N 3.47Å; I922-I937 HydrophobicContact CG1-CD1 4.22Å; I922-I937 HydrophobicContact CG1-CG2 4.16Å; I922-L948 HydrophobicContact CD1-CD2 4.23Å; I922-I952 HydrophobicContact CD1-CD1 4.39Å; I922-I952 HydrophobicContact CD1-CG1 4.13Å; I922-I952 HydrophobicContact CG1-CG1 4.49Å; I922-L955 HydrophobicContact CG2-CD1 3.57Å
923Q91.4Very high89.2Confident107 Ų10761.4 Ų61.450%0.529%0.292SS..Hα-helixtrans-59.8-41.7178.8-75.5175.319.600112.2E919 E920 R927E919-Q923 WeakPolarHBondContact O-CB 3.41Å; E919-Q923 VanDerWaalsContact O-CG 3.28Å; E919-Q923 WeakPolarHBondContact O-CG 3.3Å; E919-Q923 PolarHBondContact O-N 3.12Å; E920-Q923 PolarHBondContact O-N 3.48Å; Q923-R927 WeakPolarHBondContact O-CB 3.49Å; Q923-R927 PolarHBondContact O-N 2.87Å
924V89.9Confident89.3Confident14 Ų1460.8 Ų60.89%0.08529%0.288CS..Hα-helixtrans-67.7-48.6175.4175.80000110.8P905 V909 E920 A921 I922 V926 R927 E928P905-V924 HydrophobicContact CB-CG1 4.18Å; P905-V924 WeakPolarHBondContact O-CG1 3.31Å; V909-V924 HydrophobicContact CG2-CB 4.09Å; V909-V924 HydrophobicContact CG2-CG1 3.73Å; E920-V924 WeakPolarHBondContact O-CG2 3.5Å; E920-V924 PolarHBondContact O-N 2.85Å; A921-V924 PolarHBondContact O-N 2.88Å; I922-V924 VanDerWaalsContact C-N 3.32Å; I922-V924 PolarHBondContact O-N 3.45Å; V924-V926 VanDerWaalsContact C-N 3.28Å; V924-V926 PolarHBondContact O-N 3.49Å; V924-R927 PolarHBondContact O-N 3.31Å; V924-R927 VanDerWaalsContact O-N 3.12Å; V924-E928 HydrophobicContact CG1-CG 4.18Å; V924-E928 WeakPolarHBondContact O-CG 3.26Å; V924-E928 PolarHBondContact O-N 3.34Å
925A89.4Confident89.5Confident0 Ų062.4 Ų62.40%030%0.297CS..Hα-helixtrans-59.7-38.1-179.300000112.8V909 A921 I922 K929 S930 D933 L934 I937V909-A925 HydrophobicContact CG2-CB 4.41Å; A921-A925 WeakPolarHBondContact O-CB 3.35Å; A921-A925 PolarHBondContact O-N 3.39Å; I922-A925 PolarHBondContact O-N 3.18Å; A925-K929 PolarHBondContact O-N 2.68Å; A925-S930 PolarHBondContact O-N 3.11Å; A925-D933 HydrophobicContact CB-CB 3.69Å; A925-L934 HydrophobicContact CB-CD2 3.69Å; A925-L934 HydrophobicContact CB-CG 3.96Å; A925-I937 HydrophobicContact CB-CD1 3.86Å
926V90.6Very high89.7Confident57 Ų5764.4 Ų64.435%0.34530%0.303SS..Hα-helixtrans-71.1-42175172.90000111.5I922 V924 E928 K929 L934 L955I922-V926 HydrophobicContact CG2-CG2 4.11Å; I922-V926 WeakPolarHBondContact O-CB 3.4Å; I922-V926 VanDerWaalsContact O-CG2 3.25Å; I922-V926 WeakPolarHBondContact O-CG2 3.32Å; I922-V926 PolarHBondContact O-N 3.47Å; V924-V926 VanDerWaalsContact C-N 3.28Å; V924-V926 PolarHBondContact O-N 3.49Å; V926-E928 VanDerWaalsContact C-N 3.34Å; V926-E928 PolarHBondContact O-N 3.16Å; V926-K929 PolarHBondContact O-N 3.35Å; V926-K929 VanDerWaalsContact O-N 3.16Å; V926-L934 HydrophobicContact CG2-CD2 4.34Å; V926-L955 HydrophobicContact CG2-CD1 4.02Å; V926-L955 HydrophobicContact CG2-CD2 4.08Å; V926-L955 HydrophobicContact CG2-CG 4.45Å
927R90Very high89.8Confident176 Ų17661.9 Ų61.966%0.66428%0.277SS*.Hα-helixtrans-62-41.8178.3-174.8-177.8-59.7163.74.3112Q923 V924 K929Q923-R927 WeakPolarHBondContact O-CB 3.49Å; Q923-R927 PolarHBondContact O-N 2.87Å; V924-R927 PolarHBondContact O-N 3.31Å; V924-R927 VanDerWaalsContact O-N 3.12Å; R927-K929 VanDerWaalsContact C-N 3.26Å; R927-K929 PolarHBondContact O-N 2.99Å
928E89.8Confident89.7Confident74 Ų7457.4 Ų57.435%0.34626%0.261SS..THydrogen-bonded Turntrans-82.5-0.6178.2-61.5-53.1133.900113.2P905 V924 V926 S930P905-E928 HydrophobicContact CB-CG 4.21Å; V924-E928 HydrophobicContact CG1-CG 4.18Å; V924-E928 WeakPolarHBondContact O-CG 3.26Å; V924-E928 PolarHBondContact O-N 3.34Å; V926-E928 VanDerWaalsContact C-N 3.34Å; V926-E928 PolarHBondContact O-N 3.16Å; E928-S930 PolarHBondContact O-N 3.3Å
929K88.4Confident89.6Confident163 Ų16365.3 Ų65.371%0.70929%0.289SS*.THydrogen-bonded Turntrans51.136.6-175.2-58.8-173.9178-174.20113.2A925 V926 R927 E931 I959A925-K929 PolarHBondContact O-N 2.68Å; V926-K929 PolarHBondContact O-N 3.35Å; V926-K929 VanDerWaalsContact O-N 3.16Å; R927-K929 VanDerWaalsContact C-N 3.26Å; R927-K929 PolarHBondContact O-N 2.99Å; K929-E931 PolarHBondContact O-N 2.8Å; K929-I959 HydrophobicContact CB-CG2 4.26Å; K929-I959 WeakPolarHBondContact O-CG2 3.38Å
930S88.6Confident89.3Confident26 Ų2666.7 Ų66.718%0.18230%0.295CS..  trans-93.198.7-174.2179.40000110.9A925 E928 Y932 D933 L934A925-S930 PolarHBondContact O-N 3.11Å; E928-S930 PolarHBondContact O-N 3.3Å; S930-Y932 PolarHBondContact O-N 2.82Å; S930-D933 WeakPolarHBondContact CB-OD2 3.25Å; S930-D933 PolarHBondContact O-N 2.76Å; S930-D933 WeakPolarHBondContact OG-CB 3.26Å; S930-D933 PolarHBondContact OG-N 2.85Å; S930-D933 PolarHBondContact OG-OD2 3.37Å; S930-L934 PolarHBondContact O-N 3.31Å
931E89Confident88.9Confident59 Ų5964.6 Ų64.628%0.27629%0.287SS..Hα-helixtrans-60.9-35.9173.6-162.7-158.4150.500111.3K929 D933 L934 L935 R956 Q960K929-E931 PolarHBondContact O-N 2.8Å; E931-D933 PolarHBondContact O-N 3.08Å; E931-L934 PolarHBondContact O-N 2.65Å; E931-L935 WeakPolarHBondContact O-CB 3.19Å; E931-L935 PolarHBondContact O-N 2.79Å; E931-R956 HydrophobicContact CG-CB 4.47Å; E931-R956 HydrophobicContact CG-CG 4.31Å; E931-R956 IonicContact OE1-CZ 3.63Å; E931-R956 IonicContact OE1-NE 2.67Å; E931-R956 IonicContact OE1-NH2 3.54Å; E931-R956 PolarHBondContact OE1-NH2 3.33Å; E931-Q960 PolarHBondContact OE1-NE2 3.2Å; E931-Q960 WeakPolarHBondContact OE2-CG 3.5Å; E931-Q960 PolarHBondContact OE2-NE2 3.16Å
932Y89.6Confident88.2Confident183 Ų18365.8 Ų65.872%0.71830%0.299SS*.Hα-helixtrans-59.7-45.3178.2-178.6-93.7000111.8S930 L935 Y936S930-Y932 PolarHBondContact O-N 2.82Å; Y932-L935 PolarHBondContact O-N 2.86Å; Y932-Y936 PolarHBondContact O-N 2.91Å
933D91Very high87.6Confident23 Ų2373.7 Ų73.712%0.12333%0.333CS..Hα-helixtrans-67-39.7178.2-75.7-37.4000112.1V909 A925 S930 E931 L935 Y936 I937V909-D933 HydrophobicContact CB-CB 4.32Å; V909-D933 HydrophobicContact CG1-CB 3.93Å; V909-D933 HydrophobicContact CG2-CB 4.01Å; A925-D933 HydrophobicContact CB-CB 3.69Å; S930-D933 WeakPolarHBondContact CB-OD2 3.25Å; S930-D933 PolarHBondContact O-N 2.76Å; S930-D933 WeakPolarHBondContact OG-CB 3.26Å; S930-D933 PolarHBondContact OG-N 2.85Å; S930-D933 PolarHBondContact OG-OD2 3.37Å; E931-D933 PolarHBondContact O-N 3.08Å; D933-L935 VanDerWaalsContact C-N 3.31Å; D933-L935 PolarHBondContact O-N 3.28Å; D933-Y936 WeakPolarHBondContact O-CB 3.04Å; D933-Y936 PolarHBondContact O-N 2.85Å; D933-I937 WeakPolarHBondContact O-CD1 3.26Å; D933-I937 WeakPolarHBondContact O-CG1 3.49Å; D933-I937 PolarHBondContact O-N 3.22Å
934L90.5Very high86.9Confident0 Ų075.1 Ų75.10%035%0.349CS..Hα-helixtrans-63.4-38.1172.7-72.1-176.7000112.3A925 V926 S930 E931 I937 Q938 I952 L955 R956 I959A925-L934 HydrophobicContact CB-CD2 3.69Å; A925-L934 HydrophobicContact CB-CG 3.96Å; V926-L934 HydrophobicContact CG2-CD2 4.34Å; S930-L934 PolarHBondContact O-N 3.31Å; E931-L934 PolarHBondContact O-N 2.65Å; L934-I937 HydrophobicContact CD2-CD1 4.36Å; L934-I937 PolarHBondContact O-N 2.79Å; L934-Q938 VanDerWaalsContact O-CB 3.29Å; L934-Q938 WeakPolarHBondContact O-CB 2.88Å; L934-Q938 PolarHBondContact O-N 2.86Å; L934-I952 HydrophobicContact CB-CG2 4.19Å; L934-I952 HydrophobicContact CD2-CG2 4.45Å; L934-I952 WeakPolarHBondContact O-CG2 3.46Å; L934-L955 HydrophobicContact CD1-CB 3.87Å; L934-R956 HydrophobicContact CB-CG 3.49Å; L934-R956 VanDerWaalsContact CB-CG 3.49Å; L934-R956 HydrophobicContact CD1-CB 4.46Å; L934-R956 HydrophobicContact CD1-CG 3.7Å; L934-R956 HydrophobicContact CG-CG 4.28Å; L934-I959 HydrophobicContact CD1-CD1 3.45Å; L934-I959 VanDerWaalsContact CD1-CD1 3.45Å; L934-I959 HydrophobicContact CG-CD1 4.4Å
935L89.7Confident86.5Confident80 Ų8077.8 Ų77.842%0.41936%0.363SS..Hα-helixtrans-67.7-38.2176.8-155.8157.3000110.9E931 Y932 D933 Q938 R939E931-L935 WeakPolarHBondContact O-CB 3.19Å; E931-L935 PolarHBondContact O-N 2.79Å; Y932-L935 PolarHBondContact O-N 2.86Å; D933-L935 VanDerWaalsContact C-N 3.31Å; D933-L935 PolarHBondContact O-N 3.28Å; L935-Q938 PolarHBondContact O-N 2.95Å; L935-R939 PolarHBondContact O-N 3.16Å
936Y89.6Confident86.1Confident49 Ų4984.9 Ų84.919%0.19239%0.394CS..Hα-helixtrans-61.3-50.8171.3176.3-103.9000111.6V909 R910 V913 Y932 D933 Q938 R939 E940V909-Y936 HydrophobicContact CG1-CD1 4.44Å; R910-Y936 HydrophobicContact CB-CE1 4.23Å; R910-Y936 HydrophobicContact CG-CE1 4.21Å; V913-Y936 HydrophobicContact CB-CE1 4.11Å; V913-Y936 HydrophobicContact CG1-CE1 4.23Å; V913-Y936 HydrophobicContact CG2-CD1 4.42Å; V913-Y936 HydrophobicContact CG2-CE1 4.09Å; Y932-Y936 PolarHBondContact O-N 2.91Å; D933-Y936 WeakPolarHBondContact O-CB 3.04Å; D933-Y936 PolarHBondContact O-N 2.85Å; Y936-Q938 VanDerWaalsContact C-N 3.3Å; Y936-Q938 PolarHBondContact O-N 3.18Å; Y936-R939 PolarHBondContact O-N 2.81Å; Y936-R939 VanDerWaalsContact O-N 3.14Å; Y936-E940 HydrophobicContact CD2-CG 4.43Å; Y936-E940 HydrophobicContact CE1-CG 4.11Å; Y936-E940 HydrophobicContact CE2-CG 3.91Å; Y936-E940 WeakPolarHBondContact O-CG 3.03Å; Y936-E940 PolarHBondContact O-N 2.95Å; Y936-E940 VanDerWaalsContact O-N 3.11Å
937I88.9Confident85.9Confident0 Ų090.1 Ų90.10%042%0.415CS..Hα-helixtrans-59-43.2176.8-61.7159.4000110.4V909 V913 I918 A921 I922 A925 D933 L934 R939 E940 V941 I952V909-I937 HydrophobicContact CG1-CD1 3.84Å; V909-I937 HydrophobicContact CG1-CG1 3.87Å; V913-I937 HydrophobicContact CG2-CB 4.5Å; V913-I937 HydrophobicContact CG2-CG1 3.72Å; I918-I937 HydrophobicContact CG2-CG2 3.9Å; A921-I937 HydrophobicContact CB-CD1 3.88Å; A921-I937 HydrophobicContact CB-CG1 4.14Å; I922-I937 HydrophobicContact CG1-CD1 4.22Å; I922-I937 HydrophobicContact CG1-CG2 4.16Å; A925-I937 HydrophobicContact CB-CD1 3.86Å; D933-I937 WeakPolarHBondContact O-CD1 3.26Å; D933-I937 WeakPolarHBondContact O-CG1 3.49Å; D933-I937 PolarHBondContact O-N 3.22Å; L934-I937 HydrophobicContact CD2-CD1 4.36Å; L934-I937 PolarHBondContact O-N 2.79Å; I937-R939 VanDerWaalsContact C-N 3.29Å; I937-R939 PolarHBondContact O-N 2.68Å; I937-E940 PolarHBondContact O-N 2.87Å; I937-V941 HydrophobicContact CG2-CG2 4.01Å; I937-V941 VanDerWaalsContact O-CG2 3.31Å; I937-V941 WeakPolarHBondContact O-CG2 3.42Å; I937-V941 PolarHBondContact O-N 3.35Å; I937-I952 HydrophobicContact CG2-CD1 3.73Å
938Q87.4Confident85.7Confident15 Ų1583.3 Ų83.37%0.0739%0.391CS..Hα-helixtrans-59.2-39.4177.9-171.6179.52.900112.5L934 L935 Y936 G942 Y949 I952 I953L934-Q938 VanDerWaalsContact O-CB 3.29Å; L934-Q938 WeakPolarHBondContact O-CB 2.88Å; L934-Q938 PolarHBondContact O-N 2.86Å; L935-Q938 PolarHBondContact O-N 2.95Å; Y936-Q938 VanDerWaalsContact C-N 3.3Å; Y936-Q938 PolarHBondContact O-N 3.18Å; Q938-G942 PolarHBondContact O-N 2.86Å; Q938-Y949 HydrophobicContact CG-CD2 3.79Å; Q938-Y949 HydrophobicContact CG-CE2 3.43Å; Q938-Y949 VanDerWaalsContact CG-CE2 3.43Å; Q938-Y949 PolarHBondContact NE2-OH 2.59Å; Q938-I952 HydrophobicContact CB-CG2 3.79Å; Q938-I952 HydrophobicContact CG-CG2 4.33Å; Q938-I953 VanDerWaalsContact NE2-CG1 3.3Å
939R86.9Confident85.6Confident202 Ų20282.2 Ų82.276%0.76238%0.384SS*.Hα-helixtrans-68.2-39.3178.3-172.3179.2178.2173.2-0.3111.8L935 Y936 I937L935-R939 PolarHBondContact O-N 3.16Å; Y936-R939 PolarHBondContact O-N 2.81Å; Y936-R939 VanDerWaalsContact O-N 3.14Å; I937-R939 VanDerWaalsContact C-N 3.29Å; I937-R939 PolarHBondContact O-N 2.68Å
940E83.4Confident85.6Confident106 Ų10678.4 Ų78.450%0.49537%0.371SS..Hα-helixtrans-77-35.9-178.4-65-66.1142.100113V913 Y936 I937 G942V913-E940 HydrophobicContact CG1-CB 3.67Å; V913-E940 HydrophobicContact CG1-CG 3.85Å; Y936-E940 HydrophobicContact CD2-CG 4.43Å; Y936-E940 HydrophobicContact CE1-CG 4.11Å; Y936-E940 HydrophobicContact CE2-CG 3.91Å; Y936-E940 WeakPolarHBondContact O-CG 3.03Å; Y936-E940 PolarHBondContact O-N 2.95Å; Y936-E940 VanDerWaalsContact O-N 3.11Å; I937-E940 PolarHBondContact O-N 2.87Å; E940-G942 VanDerWaalsContact C-N 3.25Å; E940-G942 PolarHBondContact O-N 3.11Å
941V82.1Confident85.7Confident20 Ų2082.3 Ų82.312%0.12138%0.382CS..Hα-helixtrans-66.6-31.1174.81730000111.2I918 I937 T944 N945 L948 I952I918-V941 HydrophobicContact CD1-CG2 4.31Å; I918-V941 HydrophobicContact CG1-CG2 4.47Å; I918-V941 HydrophobicContact CG2-CG2 3.85Å; I937-V941 HydrophobicContact CG2-CG2 4.01Å; I937-V941 VanDerWaalsContact O-CG2 3.31Å; I937-V941 WeakPolarHBondContact O-CG2 3.42Å; I937-V941 PolarHBondContact O-N 3.35Å; V941-T944 PolarHBondContact O-OG1 3.37Å; V941-N945 HydrophobicContact CG1-CB 4.02Å; V941-L948 HydrophobicContact CG1-CB 4.11Å; V941-I952 HydrophobicContact CG2-CD1 4.19Å
942G76.4Confident85.7Confident24 Ų2479.5 Ų79.525%0.24737%0.369CS..THydrogen-bonded Turntrans65.7175.8-178.300000113Q938 E940 T944 Y949Q938-G942 PolarHBondContact O-N 2.86Å; E940-G942 VanDerWaalsContact C-N 3.25Å; E940-G942 PolarHBondContact O-N 3.11Å; G942-T944 PolarHBondContact O-N 3.01Å; G942-Y949 VanDerWaalsContact O-CD2 3.25Å; G942-Y949 WeakPolarHBondContact O-CD2 3.43Å
943K76.1Confident85.6Confident170 Ų17074.3 Ų74.374%0.73935%0.353SS*.THydrogen-bonded Turntrans-77.41.3-180-65.4-174.7179.9-178.10113.8Y949K943-Y949 HydrophobicContact CG-CD2 4.48Å; K943-Y949 HydrophobicContact CG-CE1 4.27Å; K943-Y949 HydrophobicContact CG-CE2 4.01Å
944T76.9Confident85.6Confident137 Ų13775.7 Ų75.784%0.8437%0.365SS*.THydrogen-bonded Turntrans-73.9-37.6-176.346.70000112.2V941 G942 K946V941-T944 PolarHBondContact O-OG1 3.37Å; G942-T944 PolarHBondContact O-N 3.01Å; T944-K946 PolarHBondContact O-N 3.17Å
945N82.5Confident85.5Confident69 Ų6976.9 Ų76.937%0.36937%0.371SS..SBendtrans-9885172-166.8-33.6000110V941 E947 L948 Y949V941-N945 HydrophobicContact CG1-CB 4.02Å; N945-E947 VanDerWaalsContact C-N 3.32Å; N945-E947 PolarHBondContact O-N 3.13Å; N945-L948 HydrophobicContact CB-CB 4.36Å; N945-L948 WeakPolarHBondContact ND2-CD1 3.43Å; N945-L948 PolarHBondContact O-N 3.15Å; N945-L948 PolarHBondContact OD1-N 2.9Å; N945-Y949 VanDerWaalsContact O-CB 3.28Å; N945-Y949 WeakPolarHBondContact O-CB 3.24Å; N945-Y949 PolarHBondContact O-N 2.98Å
946K80.6Confident85.5Confident149 Ų14975.5 Ų75.565%0.64836%0.36SS*.Hα-helixtrans-59.2-40.1-173.8-164179.8179.3-1750112.8T944 Y949 D950T944-K946 PolarHBondContact O-N 3.17Å; K946-Y949 PolarHBondContact O-N 2.91Å; K946-D950 WeakPolarHBondContact O-CB 3.42Å; K946-D950 VanDerWaalsContact O-CG 3.3Å; K946-D950 PolarHBondContact O-N 3.08Å
947E87Confident85.4Confident168 Ų16875.3 Ų75.379%0.78537%0.368SS*.Hα-helixtrans-62.3-49.6179.4-67.9-178174.700112.3N945 R951N945-E947 VanDerWaalsContact C-N 3.32Å; N945-E947 PolarHBondContact O-N 3.13Å; E947-R951 WeakPolarHBondContact O-CB 3.28Å; E947-R951 PolarHBondContact O-N 3.28Å
948L86.3Confident85.3Confident32 Ų3281.2 Ų81.217%0.16840%0.396CS..Hα-helixtrans-66.9-38.7176.5-82175.4000111.8I922 V941 N945 R951 I952I922-L948 HydrophobicContact CD1-CD2 4.23Å; V941-L948 HydrophobicContact CG1-CB 4.11Å; N945-L948 HydrophobicContact CB-CB 4.36Å; N945-L948 WeakPolarHBondContact ND2-CD1 3.43Å; N945-L948 PolarHBondContact O-N 3.15Å; N945-L948 PolarHBondContact OD1-N 2.9Å; L948-R951 PolarHBondContact O-N 3.4Å; L948-I952 WeakPolarHBondContact O-CD1 3.48Å; L948-I952 WeakPolarHBondContact O-CG1 3.43Å; L948-I952 PolarHBondContact O-N 3.04Å
949Y87.6Confident85.2Confident52 Ų5282.6 Ų82.620%0.20440%0.403CS..Hα-helixtrans-61.4-46.5178.4-167.4-93.4000111.7Q938 G942 K943 N945 K946 I952 I953Q938-Y949 HydrophobicContact CG-CD2 3.79Å; Q938-Y949 HydrophobicContact CG-CE2 3.43Å; Q938-Y949 VanDerWaalsContact CG-CE2 3.43Å; Q938-Y949 PolarHBondContact NE2-OH 2.59Å; G942-Y949 VanDerWaalsContact O-CD2 3.25Å; G942-Y949 WeakPolarHBondContact O-CD2 3.43Å; K943-Y949 HydrophobicContact CG-CD2 4.48Å; K943-Y949 HydrophobicContact CG-CE1 4.27Å; K943-Y949 HydrophobicContact CG-CE2 4.01Å; N945-Y949 VanDerWaalsContact O-CB 3.28Å; N945-Y949 WeakPolarHBondContact O-CB 3.24Å; N945-Y949 PolarHBondContact O-N 2.98Å; K946-Y949 PolarHBondContact O-N 2.91Å; Y949-I952 PolarHBondContact O-N 3.49Å; Y949-I953 HydrophobicContact CD1-CD1 3.72Å; Y949-I953 HydrophobicContact CE1-CD1 3.6Å; Y949-I953 HydrophobicContact CE1-CG1 4.48Å; Y949-I953 WeakPolarHBondContact O-CG1 3.39Å; Y949-I953 PolarHBondContact O-N 2.97Å; Y949-I953 VanDerWaalsContact O-N 3.08Å
950D87.5Confident84.7Confident82 Ų8279 Ų7944%0.43940%0.395SS..Hα-helixtrans-69.5-37.2177.9-69-18.9000111.5K946 I952 I953 S954K946-D950 WeakPolarHBondContact O-CB 3.42Å; K946-D950 VanDerWaalsContact O-CG 3.3Å; K946-D950 PolarHBondContact O-N 3.08Å; D950-I952 PolarHBondContact O-N 2.93Å; D950-I953 PolarHBondContact O-N 2.89Å; D950-S954 PolarHBondContact O-N 3.1Å
951R90.8Very high84Confident109 Ų10986.7 Ų86.741%0.41142%0.42SS..Hα-helixtrans-59.6-45.3172.2-176.9178.1173.1-152-5.3111.3E919 E947 L948 I953 S954 L955E919-R951 IonicContact OE1-NH1 2.81Å; E919-R951 PolarHBondContact OE1-NH1 3.21Å; E919-R951 IonicContact OE2-CZ 3.52Å; E919-R951 IonicContact OE2-NH1 2.87Å; E919-R951 PolarHBondContact OE2-NH1 3Å; E919-R951 IonicContact OE2-NH2 3.27Å; E919-R951 PolarHBondContact OE2-NH2 3.02Å; E947-R951 WeakPolarHBondContact O-CB 3.28Å; E947-R951 PolarHBondContact O-N 3.28Å; L948-R951 PolarHBondContact O-N 3.4Å; R951-I953 PolarHBondContact O-N 3.19Å; R951-S954 PolarHBondContact O-N 3.03Å; R951-S954 PolarHBondContact O-OG 2.92Å; R951-L955 HydrophobicContact CG-CD1 4.23Å; R951-L955 WeakPolarHBondContact O-CG 3.3Å; R951-L955 PolarHBondContact O-N 3.07Å
952I88.3Confident84.1Confident0 Ų090.1 Ų90.10%044%0.435CS..Hα-helixtrans-65.1-38.7178.2-64.8159.9000111.1I922 L934 I937 Q938 V941 L948 Y949 D950 S954 L955 R956I922-I952 HydrophobicContact CD1-CD1 4.39Å; I922-I952 HydrophobicContact CD1-CG1 4.13Å; I922-I952 HydrophobicContact CG1-CG1 4.49Å; L934-I952 HydrophobicContact CB-CG2 4.19Å; L934-I952 HydrophobicContact CD2-CG2 4.45Å; L934-I952 WeakPolarHBondContact O-CG2 3.46Å; I937-I952 HydrophobicContact CG2-CD1 3.73Å; Q938-I952 HydrophobicContact CB-CG2 3.79Å; Q938-I952 HydrophobicContact CG-CG2 4.33Å; V941-I952 HydrophobicContact CG2-CD1 4.19Å; L948-I952 WeakPolarHBondContact O-CD1 3.48Å; L948-I952 WeakPolarHBondContact O-CG1 3.43Å; L948-I952 PolarHBondContact O-N 3.04Å; Y949-I952 PolarHBondContact O-N 3.49Å; D950-I952 PolarHBondContact O-N 2.93Å; I952-S954 VanDerWaalsContact C-N 3.32Å; I952-S954 PolarHBondContact O-N 3.37Å; I952-L955 PolarHBondContact O-N 3.14Å; I952-R956 HydrophobicContact CG2-CG 4.39Å; I952-R956 WeakPolarHBondContact O-CG 3.11Å; I952-R956 PolarHBondContact O-N 3.29Å
953I88.4Confident84.5Confident73 Ų7393.5 Ų93.537%0.37444%0.444SS..Hα-helixtrans-58.9-45.1173.1-69.6169.1000110.8Q938 Y949 D950 R951 L955 R956 A957Q938-I953 VanDerWaalsContact NE2-CG1 3.3Å; Y949-I953 HydrophobicContact CD1-CD1 3.72Å; Y949-I953 HydrophobicContact CE1-CD1 3.6Å; Y949-I953 HydrophobicContact CE1-CG1 4.48Å; Y949-I953 WeakPolarHBondContact O-CG1 3.39Å; Y949-I953 PolarHBondContact O-N 2.97Å; Y949-I953 VanDerWaalsContact O-N 3.08Å; D950-I953 PolarHBondContact O-N 2.89Å; R951-I953 PolarHBondContact O-N 3.19Å; I953-L955 PolarHBondContact O-N 3.43Å; I953-R956 PolarHBondContact O-N 3.39Å; I953-A957 PolarHBondContact O-N 2.89Å
954S90Very high84.9Confident53 Ų5389.3 Ų89.337%0.37143%0.428SS..Hα-helixtrans-63.3-40.5178.278.40000112.5D950 R951 I952 A957 Q958D950-S954 PolarHBondContact O-N 3.1Å; R951-S954 PolarHBondContact O-N 3.03Å; R951-S954 PolarHBondContact O-OG 2.92Å; I952-S954 VanDerWaalsContact C-N 3.32Å; I952-S954 PolarHBondContact O-N 3.37Å; S954-A957 PolarHBondContact O-N 2.61Å; S954-Q958 WeakPolarHBondContact O-CG 3.29Å; S954-Q958 PolarHBondContact O-N 2.67Å
955L90.2Very high85.4Confident24 Ų2486.5 Ų86.513%0.12640%0.404CS..Hα-helixtrans-66.9-39.3177.2-70.3171.2000111.7I922 V926 L934 R951 I952 I953 Q958 I959I922-L955 HydrophobicContact CG2-CD1 3.57Å; V926-L955 HydrophobicContact CG2-CD1 4.02Å; V926-L955 HydrophobicContact CG2-CD2 4.08Å; V926-L955 HydrophobicContact CG2-CG 4.45Å; L934-L955 HydrophobicContact CD1-CB 3.87Å; R951-L955 HydrophobicContact CG-CD1 4.23Å; R951-L955 WeakPolarHBondContact O-CG 3.3Å; R951-L955 PolarHBondContact O-N 3.07Å; I952-L955 PolarHBondContact O-N 3.14Å; I953-L955 PolarHBondContact O-N 3.43Å; L955-Q958 PolarHBondContact O-N 2.91Å; L955-I959 WeakPolarHBondContact O-CG1 3.4Å; L955-I959 PolarHBondContact O-N 3.19Å
956R89.1Confident85.6Confident52 Ų5287.6 Ų87.620%0.19641%0.406CS..Hα-helixtrans-62-43.9173.8-73.2-179.862.6-146.6-11.8111.6E931 L934 I952 I953 Q958 I959 Q960E931-R956 HydrophobicContact CG-CB 4.47Å; E931-R956 HydrophobicContact CG-CG 4.31Å; E931-R956 IonicContact OE1-CZ 3.63Å; E931-R956 IonicContact OE1-NE 2.67Å; E931-R956 IonicContact OE1-NH2 3.54Å; E931-R956 PolarHBondContact OE1-NH2 3.33Å; L934-R956 HydrophobicContact CB-CG 3.49Å; L934-R956 VanDerWaalsContact CB-CG 3.49Å; L934-R956 HydrophobicContact CD1-CB 4.46Å; L934-R956 HydrophobicContact CD1-CG 3.7Å; L934-R956 HydrophobicContact CG-CG 4.28Å; I952-R956 HydrophobicContact CG2-CG 4.39Å; I952-R956 WeakPolarHBondContact O-CG 3.11Å; I952-R956 PolarHBondContact O-N 3.29Å; I953-R956 PolarHBondContact O-N 3.39Å; R956-Q958 VanDerWaalsContact C-N 3.27Å; R956-Q958 PolarHBondContact O-N 3.14Å; R956-I959 PolarHBondContact O-N 3.42Å; R956-Q960 WeakPolarHBondContact O-CG 3.45Å; R956-Q960 PolarHBondContact O-N 2.98Å
957A86.9Confident85.9Confident44 Ų4483.5 Ų83.536%0.36439%0.39SS..Hα-helixtrans-65.6-28.7176.300000113I953 S954 R961I953-A957 PolarHBondContact O-N 2.89Å; S954-A957 PolarHBondContact O-N 2.61Å; A957-R961 WeakPolarHBondContact O-CG 3.4Å
958Q87.4Confident85.8Confident125 Ų12577.4 Ų77.458%0.58436%0.362SS*.Hα-helixtrans-74.5-32.2173.8-751764.400113.1S954 L955 R956 R961S954-Q958 WeakPolarHBondContact O-CG 3.29Å; S954-Q958 PolarHBondContact O-N 2.67Å; L955-Q958 PolarHBondContact O-N 2.91Å; R956-Q958 VanDerWaalsContact C-N 3.27Å; R956-Q958 PolarHBondContact O-N 3.14Å; Q958-R961 VanDerWaalsContact O-OXT 3.09Å
959I85Confident85.8Confident43 Ų4380.9 Ų80.922%0.22138%0.377CS..Hα-helixtrans-80-27.9178.1-67.7175.3000111.8K929 L934 L955 R956 R961K929-I959 HydrophobicContact CB-CG2 4.26Å; K929-I959 WeakPolarHBondContact O-CG2 3.38Å; L934-I959 HydrophobicContact CD1-CD1 3.45Å; L934-I959 VanDerWaalsContact CD1-CD1 3.45Å; L934-I959 HydrophobicContact CG-CD1 4.4Å; L955-I959 WeakPolarHBondContact O-CG1 3.4Å; L955-I959 PolarHBondContact O-N 3.19Å; R956-I959 PolarHBondContact O-N 3.42Å; I959-R961 VanDerWaalsContact C-N 3.27Å
960Q75.9Confident85.7Confident128 Ų12883.3 Ų83.360%0.59839%0.391SS*.  trans-75-14173.4-74.9-174-19.400113.8E931 R956E931-Q960 PolarHBondContact OE1-NE2 3.2Å; E931-Q960 WeakPolarHBondContact OE2-CG 3.5Å; E931-Q960 PolarHBondContact OE2-NE2 3.16Å; R956-Q960 WeakPolarHBondContact O-CG 3.45Å; R956-Q960 PolarHBondContact O-N 2.98Å
961R68.6Low85.5Confident267 Ų26783.5 Ų83.5100%1.00839%0.387SS*.  trans-96.30172.9-72.5178-178-176.91.7109.9A957 Q958 I959A957-R961 WeakPolarHBondContact O-CG 3.4Å; Q958-R961 VanDerWaalsContact O-OXT 3.09Å; I959-R961 VanDerWaalsContact C-N 3.27Å

Retrieved 961 of 961 residues in 544.6 ms (Link to these results)

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