A0A077Z8X3_TRITR Loading...

Aromatic-L-amino-acid decarboxylase

AlphaFold DB , UniProt , Accession A0A077Z8X3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 534 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
1M90Very high96.5Very high114 Ų11490 Ų9056%0.56245%0.449SS*.  0105.30-165.7175.3-73.700109.8E5 F6 W9 F53M1-E5 WeakPolarHBondContact CA-OE2 3.42Å; M1-E5 HydrophobicContact CB-CB 4.47Å; M1-E5 HydrophobicContact CG-CB 3.71Å; M1-E5 PolarHBondContact N-OE2 2.83Å; M1-F6 HydrophobicContact CG-CB 4.1Å; M1-F6 VanDerWaalsContact SD-CA 3.53Å; M1-F6 HydrophobicContact SD-CB 3.74Å; M1-F6 HydrophobicContact SD-CD2 3.99Å; M1-F6 HydrophobicContact SD-CG 4.39Å; M1-W9 HydrophobicContact CE-CB 4.1Å; M1-W9 HydrophobicContact CE-CG 4.27Å; M1-F53 HydrophobicContact CE-CD1 3.96Å; M1-F53 HydrophobicContact CE-CD2 3.75Å; M1-F53 HydrophobicContact CE-CE1 3.52Å; M1-F53 HydrophobicContact CE-CE2 3.29Å; M1-F53 HydrophobicContact CE-CG 4.07Å; M1-F53 HydrophobicContact CE-CZ 3.16Å
2D95.1Very high96.6Very high94 Ų9488.9 Ų88.950%0.50344%0.441SS..  trans-91.3-172.2163.364.929.1000111.6D4 E5 F6D2-D4 VanDerWaalsContact C-N 3.32Å; D2-D4 PolarHBondContact O-N 3.06Å; D2-D4 PolarHBondContact OD1-N 2.72Å; D2-E5 PolarHBondContact N-OE2 2.85Å; D2-E5 VanDerWaalsContact N-OE2 3.09Å; D2-E5 PolarHBondContact OD1-N 3.26Å; D2-F6 WeakPolarHBondContact O-CB 3.34Å; D2-F6 PolarHBondContact O-N 3.36Å
3A97.2Very high96.7Very high68 Ų6887.4 Ų87.456%0.56243%0.433SS*.Hα-helixtrans-66.1-30.1-178.700000113.9R7A3-R7 WeakPolarHBondContact O-CB 3.43Å; A3-R7 PolarHBondContact O-N 3.37Å
4D97.8Very high96.7Very high102 Ų10286.5 Ų86.555%0.54544%0.435SS..Hα-helixtrans-78.9-42.1-179.4-72.5-20.4000110.5D2 F6 R7 K8D2-D4 VanDerWaalsContact C-N 3.32Å; D2-D4 PolarHBondContact O-N 3.06Å; D2-D4 PolarHBondContact OD1-N 2.72Å; D4-F6 VanDerWaalsContact C-N 3.34Å; D4-R7 PolarHBondContact O-N 2.66Å; D4-R7 IonicContact OD1-CZ 3.71Å; D4-R7 IonicContact OD1-NH1 2.89Å; D4-R7 PolarHBondContact OD1-NH1 2.63Å; D4-R7 IonicContact OD1-NH2 3.2Å; D4-K8 PolarHBondContact O-N 2.75Å
5E96.8Very high96.8Very high85 Ų8587.5 Ų87.540%0.39744%0.442SS..Hα-helixtrans-59.3-45169.1-67.8-172.311300111M1 D2 R7 K8 W9M1-E5 WeakPolarHBondContact CA-OE2 3.42Å; M1-E5 HydrophobicContact CB-CB 4.47Å; M1-E5 HydrophobicContact CG-CB 3.71Å; M1-E5 PolarHBondContact N-OE2 2.83Å; D2-E5 PolarHBondContact N-OE2 2.85Å; D2-E5 VanDerWaalsContact N-OE2 3.09Å; D2-E5 PolarHBondContact OD1-N 3.26Å; E5-R7 VanDerWaalsContact C-N 3.32Å; E5-R7 PolarHBondContact O-N 2.94Å; E5-K8 PolarHBondContact O-N 3.37Å; E5-W9 WeakPolarHBondContact O-CB 2.95Å; E5-W9 PolarHBondContact O-N 2.64Å
6F96.8Very high96.8Very high131 Ų13185 Ų8558%0.57543%0.426SS*.Hα-helixtrans-59.1-42.7174.9175.8-101.7000111.9M1 D2 D4 K8 G10M1-F6 HydrophobicContact CG-CB 4.1Å; M1-F6 VanDerWaalsContact SD-CA 3.53Å; M1-F6 HydrophobicContact SD-CB 3.74Å; M1-F6 HydrophobicContact SD-CD2 3.99Å; M1-F6 HydrophobicContact SD-CG 4.39Å; D2-F6 WeakPolarHBondContact O-CB 3.34Å; D2-F6 PolarHBondContact O-N 3.36Å; D4-F6 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 2.83Å; F6-G10 VanDerWaalsContact O-CA 3.26Å; F6-G10 WeakPolarHBondContact O-CA 2.97Å; F6-G10 PolarHBondContact O-N 3.35Å
7R97.9Very high96.9Very high126 Ų12683.2 Ų83.248%0.47542%0.417SS..Hα-helixtrans-64.6-40.7177.5-167.5-177.2-55.6101.32.3111.9A3 D4 E5 K11A3-R7 WeakPolarHBondContact O-CB 3.43Å; A3-R7 PolarHBondContact O-N 3.37Å; D4-R7 PolarHBondContact O-N 2.66Å; D4-R7 IonicContact OD1-CZ 3.71Å; D4-R7 IonicContact OD1-NH1 2.89Å; D4-R7 PolarHBondContact OD1-NH1 2.63Å; D4-R7 IonicContact OD1-NH2 3.2Å; E5-R7 VanDerWaalsContact C-N 3.32Å; E5-R7 PolarHBondContact O-N 2.94Å; R7-K11 HydrophobicContact CG-CD 4.34Å; R7-K11 WeakPolarHBondContact O-CB 3.07Å; R7-K11 WeakPolarHBondContact O-CD 3.05Å; R7-K11 WeakPolarHBondContact O-CG 3.18Å; R7-K11 PolarHBondContact O-N 2.92Å
8K97.8Very high96.9Very high103 Ų10380.4 Ų80.445%0.44841%0.41SS..Hα-helixtrans-62.8-60.5176.7177.8-169.2171.2-165.70110.4D4 E5 F6 K11 Q12D4-K8 PolarHBondContact O-N 2.75Å; E5-K8 PolarHBondContact O-N 3.37Å; F6-K8 PolarHBondContact O-N 2.83Å; K8-K11 PolarHBondContact O-N 3.47Å; K8-Q12 PolarHBondContact O-N 2.76Å
9W97.4Very high96.9Very high14 Ų1480.3 Ų80.35%0.05341%0.41CS..Hα-helixtrans-71.9-35.3-172.9-65118.9000112.7M1 E5 Q12 M13 F53 D54 F57M1-W9 HydrophobicContact CE-CB 4.1Å; M1-W9 HydrophobicContact CE-CG 4.27Å; E5-W9 WeakPolarHBondContact O-CB 2.95Å; E5-W9 PolarHBondContact O-N 2.64Å; W9-Q12 PolarHBondContact O-N 3.08Å; W9-M13 WeakPolarHBondContact O-CB 3.37Å; W9-M13 PolarHBondContact O-N 2.99Å; W9-F53 HydrophobicContact CB-CD1 3.97Å; W9-F53 HydrophobicContact CB-CE1 4.45Å; W9-F53 AromaticContact CD1-CG 3.95Å; W9-F53 HydrophobicContact CD2-CB 3.45Å; W9-F53 VanDerWaalsContact CD2-CB 3.45Å; W9-F53 HydrophobicContact CD2-CD1 4.09Å; W9-F53 HydrophobicContact CD2-CG 4.04Å; W9-F53 HydrophobicContact CE3-CB 3.92Å; W9-F53 HydrophobicContact CE3-CD1 4.48Å; W9-F53 HydrophobicContact CG-CB 3.88Å; W9-F53 AromaticContact CG-CD1 3.84Å; W9-F53 HydrophobicContact CG-CD1 3.84Å; W9-F53 AromaticContact CG-CG 3.95Å; W9-F53 HydrophobicContact CG-CG 3.95Å; W9-F53 HydrophobicContact CH2-CB 3.97Å; W9-F53 HydrophobicContact CZ2-CB 3.51Å; W9-F53 HydrophobicContact CZ3-CB 4.15Å; W9-D54 HydrophobicContact CH2-CB 4.28Å; W9-D54 VanDerWaalsContact CH2-CG 3.46Å; W9-D54 WeakPolarHBondContact CH2-OD1 3.37Å; W9-D54 WeakPolarHBondContact CH2-OD2 3.49Å; W9-D54 WeakPolarHBondContact CZ2-OD2 3.42Å; W9-F57 HydrophobicContact CB-CE2 4.31Å; W9-F57 HydrophobicContact CD2-CE2 4.31Å; W9-F57 AromaticContact CE3-CD2 3.61Å; W9-F57 HydrophobicContact CE3-CD2 3.61Å; W9-F57 AromaticContact CE3-CE2 3.48Å; W9-F57 HydrophobicContact CE3-CE2 3.48Å; W9-F57 VanDerWaalsContact CE3-CE2 3.48Å; W9-F57 HydrophobicContact CE3-CG 4.45Å; W9-F57 HydrophobicContact CE3-CZ 4.22Å; W9-F57 AromaticContact CZ3-CD2 3.81Å; W9-F57 HydrophobicContact CZ3-CD2 3.81Å; W9-F57 HydrophobicContact CZ3-CE2 4.14Å; W9-F57 HydrophobicContact CZ3-CG 4.31Å
10G97Very high96.9Very high25 Ų2577.7 Ų77.726%0.25840%0.395SS..Hα-helixtrans-61.4-43173.700000112.4F6 M13 V14F6-G10 VanDerWaalsContact O-CA 3.26Å; F6-G10 WeakPolarHBondContact O-CA 2.97Å; F6-G10 PolarHBondContact O-N 3.35Å; G10-M13 PolarHBondContact O-N 2.87Å; G10-V14 WeakPolarHBondContact O-CG2 3.35Å; G10-V14 PolarHBondContact O-N 2.95Å
11K97.7Very high96.9Very high128 Ų12875 Ų7556%0.55738%0.38SS*.Hα-helixtrans-62.6-46.2173.8-76.4174.7178.8-174.80111.8R7 K8 M13 V14 D15R7-K11 HydrophobicContact CG-CD 4.34Å; R7-K11 WeakPolarHBondContact O-CB 3.07Å; R7-K11 WeakPolarHBondContact O-CD 3.05Å; R7-K11 WeakPolarHBondContact O-CG 3.18Å; R7-K11 PolarHBondContact O-N 2.92Å; K8-K11 PolarHBondContact O-N 3.47Å; K11-M13 VanDerWaalsContact C-N 3.28Å; K11-M13 PolarHBondContact O-N 3Å; K11-V14 WeakPolarHBondContact O-CB 2.96Å; K11-V14 PolarHBondContact O-N 3.25Å; K11-V14 VanDerWaalsContact O-N 3.13Å; K11-D15 PolarHBondContact O-N 3.33Å
12Q97.5Very high97.1Very high77 Ų7774 Ų7436%0.3638%0.38SS..Hα-helixtrans-61.4-36.7177.2-70.6-174.10.800112.6K8 W9 D15 Y16 F57K8-Q12 PolarHBondContact O-N 2.76Å; W9-Q12 PolarHBondContact O-N 3.08Å; Q12-D15 PolarHBondContact O-N 2.67Å; Q12-Y16 WeakPolarHBondContact O-CB 3.13Å; Q12-Y16 PolarHBondContact O-N 3.23Å; Q12-F57 HydrophobicContact CB-CE1 3.99Å; Q12-F57 HydrophobicContact CB-CZ 3.89Å
13M97.7Very high97.2Very high69 Ų6975 Ų7534%0.3438%0.38SS..Hα-helixtrans-67.1-40.6174.7-173.261.370.800111.5W9 G10 K11 Y16 I17 F57 L60W9-M13 WeakPolarHBondContact O-CB 3.37Å; W9-M13 PolarHBondContact O-N 2.99Å; G10-M13 PolarHBondContact O-N 2.87Å; K11-M13 VanDerWaalsContact C-N 3.28Å; K11-M13 PolarHBondContact O-N 3Å; M13-Y16 PolarHBondContact O-N 2.7Å; M13-Y16 HydrophobicContact SD-CD1 4.22Å; M13-I17 WeakPolarHBondContact O-CG1 3.36Å; M13-I17 PolarHBondContact O-N 3.07Å; M13-F57 HydrophobicContact CB-CZ 3.97Å; M13-F57 HydrophobicContact CE-CE1 4.16Å; M13-F57 HydrophobicContact CE-CE2 4.18Å; M13-F57 HydrophobicContact CE-CZ 3.77Å; M13-L60 HydrophobicContact CE-CD1 3.92Å; M13-L60 HydrophobicContact SD-CD1 4.4Å
14V97.6Very high97.1Very high75 Ų7571.7 Ų71.746%0.45535%0.353SS..Hα-helixtrans-60.8-46.2174.3169.70000110.7G10 K11 Y16 I17 A18G10-V14 WeakPolarHBondContact O-CG2 3.35Å; G10-V14 PolarHBondContact O-N 2.95Å; K11-V14 WeakPolarHBondContact O-CB 2.96Å; K11-V14 PolarHBondContact O-N 3.25Å; K11-V14 VanDerWaalsContact O-N 3.13Å; V14-Y16 VanDerWaalsContact C-N 3.35Å; V14-Y16 PolarHBondContact O-N 3.35Å; V14-I17 PolarHBondContact O-N 2.86Å; V14-A18 WeakPolarHBondContact O-CB 3.39Å; V14-A18 PolarHBondContact O-N 3.36Å
15D97.6Very high97Very high102 Ų10269.8 Ų69.855%0.54535%0.346SS..Hα-helixtrans-60.7-44.9176.2-67.7-24.1000110.9K11 Q12 I17 A18 D19K11-D15 PolarHBondContact O-N 3.33Å; Q12-D15 PolarHBondContact O-N 2.67Å; D15-I17 PolarHBondContact O-N 3.1Å; D15-A18 PolarHBondContact O-N 3.39Å; D15-D19 WeakPolarHBondContact O-CB 3.34Å; D15-D19 PolarHBondContact O-N 3.41Å
16Y97.4Very high97Very high47 Ų4770.6 Ų70.618%0.18436%0.361CS..Hα-helixtrans-58.1-45.9176.1176.4-93000112.4Q12 M13 V14 D19 Y20 L60 E61 M65Q12-Y16 WeakPolarHBondContact O-CB 3.13Å; Q12-Y16 PolarHBondContact O-N 3.23Å; M13-Y16 PolarHBondContact O-N 2.7Å; M13-Y16 HydrophobicContact SD-CD1 4.22Å; V14-Y16 VanDerWaalsContact C-N 3.35Å; V14-Y16 PolarHBondContact O-N 3.35Å; Y16-D19 PolarHBondContact O-N 3.23Å; Y16-Y20 VanDerWaalsContact O-CB 3.26Å; Y16-Y20 WeakPolarHBondContact O-CB 3.03Å; Y16-Y20 PolarHBondContact O-N 3.09Å; Y16-L60 HydrophobicContact CD1-CD1 4.44Å; Y16-L60 HydrophobicContact CE1-CD1 4.4Å; Y16-E61 HydrophobicContact CE2-CG 4.43Å; Y16-E61 VanDerWaalsContact CE2-OE1 3.3Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.41Å; Y16-E61 PolarHBondContact OH-OE1 3.16Å; Y16-M65 WeakPolarHBondContact OH-CG 3.46Å
17I97.4Very high96.9Very high54 Ų5467.3 Ų67.328%0.27735%0.345SS..Hα-helixtrans-67.3-39.6178.6-67.1-63.3000111.3M13 V14 D15 Y20 W21 I89M13-I17 WeakPolarHBondContact O-CG1 3.36Å; M13-I17 PolarHBondContact O-N 3.07Å; V14-I17 PolarHBondContact O-N 2.86Å; D15-I17 PolarHBondContact O-N 3.1Å; I17-Y20 PolarHBondContact O-N 3.16Å; I17-W21 VanDerWaalsContact O-CD1 3.31Å; I17-W21 PolarHBondContact O-N 3.09Å; I17-W21 VanDerWaalsContact O-N 3.07Å; I17-I89 HydrophobicContact CG2-CD1 4.42Å
18A97.6Very high96.8Very high34 Ų3466 Ų6628%0.28134%0.34SS..Hα-helixtrans-62-45.917500000111.4V14 D15 W21 T22V14-A18 WeakPolarHBondContact O-CB 3.39Å; V14-A18 PolarHBondContact O-N 3.36Å; D15-A18 PolarHBondContact O-N 3.39Å; A18-W21 PolarHBondContact O-N 2.6Å; A18-T22 WeakPolarHBondContact O-CG2 2.98Å; A18-T22 PolarHBondContact O-N 3.16Å; A18-T22 PolarHBondContact O-OG1 3.06Å
19D97.6Very high96.7Very high77 Ų7761.1 Ų61.141%0.41232%0.319SS..Hα-helixtrans-62.6-43.2175.2-94.821.8000112.5D15 Y16 W21 T22 K23D15-D19 WeakPolarHBondContact O-CB 3.34Å; D15-D19 PolarHBondContact O-N 3.41Å; Y16-D19 PolarHBondContact O-N 3.23Å; D19-W21 VanDerWaalsContact C-N 3.32Å; D19-W21 PolarHBondContact O-N 3.28Å; D19-T22 WeakPolarHBondContact CA-OG1 3.27Å; D19-T22 PolarHBondContact O-N 3.43Å; D19-T22 PolarHBondContact O-OG1 3.26Å; D19-K23 VanDerWaalsContact O-CB 3.29Å; D19-K23 WeakPolarHBondContact O-CB 3.39Å; D19-K23 WeakPolarHBondContact O-CG 3.03Å; D19-K23 PolarHBondContact O-N 3.13Å; D19-K23 IonicContact OD2-NZ 2.74Å; D19-K23 PolarHBondContact OD2-NZ 3.01Å
20Y97Very high96.6Very high28 Ų2863.1 Ų63.111%0.1133%0.329CS..Hα-helixtrans-57-46.1176.4163.3-108.8000111.4Y16 I17 L24 M65 H70Y16-Y20 VanDerWaalsContact O-CB 3.26Å; Y16-Y20 WeakPolarHBondContact O-CB 3.03Å; Y16-Y20 PolarHBondContact O-N 3.09Å; I17-Y20 PolarHBondContact O-N 3.16Å; Y20-L24 HydrophobicContact CD2-CD1 4.23Å; Y20-L24 HydrophobicContact CE1-CD1 4.29Å; Y20-L24 HydrophobicContact CE2-CD1 3.41Å; Y20-L24 VanDerWaalsContact CE2-CD1 3.41Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.46Å; Y20-L24 WeakPolarHBondContact O-CA 3.09Å; Y20-L24 WeakPolarHBondContact O-CB 2.92Å; Y20-L24 PolarHBondContact O-N 3.06Å; Y20-L24 WeakPolarHBondContact OH-CD1 3.49Å; Y20-M65 HydrophobicContact CD2-CE 3.38Å; Y20-M65 HydrophobicContact CE2-CE 3.22Å; Y20-M65 HydrophobicContact CG-CE 4.29Å; Y20-H70 AromaticContact CE2-CE1 3.68Å; Y20-H70 AromaticContact CE2-ND1 3.4Å; Y20-H70 WeakPolarHBondContact CE2-ND1 3.46Å; Y20-H70 AromaticContact CZ-ND1 3.56Å; Y20-H70 PolarHBondContact OH-ND1 3.38Å
21W95.1Very high96.5Very high22 Ų2263 Ų638%0.08332%0.324CS..Hα-helixtrans-67.1-44.1178.7-90.184000112.6I17 A18 D19 K23 L24 H72 N84 Y86 M504I17-W21 VanDerWaalsContact O-CD1 3.31Å; I17-W21 PolarHBondContact O-N 3.09Å; I17-W21 VanDerWaalsContact O-N 3.07Å; A18-W21 PolarHBondContact O-N 2.6Å; D19-W21 VanDerWaalsContact C-N 3.32Å; D19-W21 PolarHBondContact O-N 3.28Å; W21-K23 VanDerWaalsContact C-N 3.33Å; W21-K23 PolarHBondContact O-N 3.1Å; W21-L24 VanDerWaalsContact O-CB 3.27Å; W21-L24 WeakPolarHBondContact O-CB 3.37Å; W21-L24 PolarHBondContact O-N 3.14Å; W21-H72 HydrophobicContact CH2-CB 3.41Å; W21-H72 VanDerWaalsContact CH2-CB 3.41Å; W21-H72 AromaticContact CH2-CD2 3.63Å; W21-H72 AromaticContact CH2-CG 3.27Å; W21-H72 AromaticContact CH2-ND1 3.68Å; W21-H72 HydrophobicContact CZ2-CB 3.88Å; W21-H72 AromaticContact CZ2-CD2 3.32Å; W21-H72 WeakPolarHBondContact CZ2-CD2 3.05Å; W21-H72 AromaticContact CZ2-CG 3.51Å; W21-H72 AromaticContact CZ2-NE2 3.86Å; W21-H72 HydrophobicContact CZ3-CB 3.81Å; W21-N84 HydrophobicContact CH2-CB 3.98Å; W21-N84 HydrophobicContact CZ2-CB 3.78Å; W21-N84 WeakPolarHBondContact CZ2-ND2 3.4Å; W21-Y86 WeakPolarHBondContact CB-OH 3.4Å; W21-Y86 HydrophobicContact CG-CE1 4.43Å; W21-M504 HydrophobicContact CE3-CG 4.47Å; W21-M504 HydrophobicContact CE3-SD 3.78Å; W21-M504 HydrophobicContact CZ3-CG 4.3Å; W21-M504 HydrophobicContact CZ3-SD 4.06Å; W21-M504 VanDerWaalsContact O-CE 3.3Å; W21-M504 WeakPolarHBondContact O-CE 3.27Å
22T95.2Very high96.3Very high93 Ų9362.2 Ų62.257%0.57133%0.326SS*.Hα-helixtrans-67.3-34.8-179.954.90000112.5A18 D19A18-T22 WeakPolarHBondContact O-CG2 2.98Å; A18-T22 PolarHBondContact O-N 3.16Å; A18-T22 PolarHBondContact O-OG1 3.06Å; D19-T22 WeakPolarHBondContact CA-OG1 3.27Å; D19-T22 PolarHBondContact O-N 3.43Å; D19-T22 PolarHBondContact O-OG1 3.26Å
23K96.5Very high96.2Very high114 Ų11460.8 Ų60.850%0.49632%0.323SS..THydrogen-bonded Turntrans-90.5-0.8177.5-62.7165.2-176.8163.20112.9D19 W21 P25 S26D19-K23 VanDerWaalsContact O-CB 3.29Å; D19-K23 WeakPolarHBondContact O-CB 3.39Å; D19-K23 WeakPolarHBondContact O-CG 3.03Å; D19-K23 PolarHBondContact O-N 3.13Å; D19-K23 IonicContact OD2-NZ 2.74Å; D19-K23 PolarHBondContact OD2-NZ 3.01Å; W21-K23 VanDerWaalsContact C-N 3.33Å; W21-K23 PolarHBondContact O-N 3.1Å; K23-P25 VanDerWaalsContact C-N 3.3Å; K23-P25 VanDerWaalsContact O-N 3.14Å; K23-S26 WeakPolarHBondContact O-CB 3.43Å; K23-S26 PolarHBondContact O-N 3.28Å; K23-S26 PolarHBondContact O-OG 3.35Å
24L95.7Very high96.1Very high0 Ų065.6 Ų65.60%034%0.342CS..G310 helixtrans-51.5-40.9-174.7-16755.7000113.9Y20 W21 S26 R27 H70 H72 H73 M504Y20-L24 HydrophobicContact CD2-CD1 4.23Å; Y20-L24 HydrophobicContact CE1-CD1 4.29Å; Y20-L24 HydrophobicContact CE2-CD1 3.41Å; Y20-L24 VanDerWaalsContact CE2-CD1 3.41Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.46Å; Y20-L24 WeakPolarHBondContact O-CA 3.09Å; Y20-L24 WeakPolarHBondContact O-CB 2.92Å; Y20-L24 PolarHBondContact O-N 3.06Å; Y20-L24 WeakPolarHBondContact OH-CD1 3.49Å; W21-L24 VanDerWaalsContact O-CB 3.27Å; W21-L24 WeakPolarHBondContact O-CB 3.37Å; W21-L24 PolarHBondContact O-N 3.14Å; L24-S26 PolarHBondContact O-N 2.89Å; L24-R27 PolarHBondContact O-N 3.45Å; L24-H70 HydrophobicContact CD1-CB 3.95Å; L24-H72 VanDerWaalsContact CD2-C 3.41Å; L24-H72 HydrophobicContact CD2-CB 3.79Å; L24-H72 WeakPolarHBondContact CD2-O 3.46Å; L24-H73 HydrophobicContact CG-CB 4.39Å; L24-H73 PolarHBondContact O-CD2 2.96Å; L24-M504 HydrophobicContact CB-SD 4.36Å; L24-M504 HydrophobicContact CD2-SD 4.14Å
25P96.4Very high96Very high61 Ų6168.6 Ų68.640%0.39636%0.363SS..G310 helixtrans-61.1-13.1178.3-23.635.2000115.6K23 P74 M504K23-P25 VanDerWaalsContact C-N 3.3Å; K23-P25 VanDerWaalsContact O-N 3.14Å; P25-P74 HydrophobicContact CB-CG 4.02Å; P25-P74 HydrophobicContact CG-CG 4Å; P25-M504 HydrophobicContact CG-CE 4.01Å
26S95.4Very high95.8Very high102 Ų10266.1 Ų66.171%0.71336%0.362SS*.G310 helixtrans-88.3-6.1176.278.70000113.6K23 L24K23-S26 WeakPolarHBondContact O-CB 3.43Å; K23-S26 PolarHBondContact O-N 3.28Å; K23-S26 PolarHBondContact O-OG 3.35Å; L24-S26 PolarHBondContact O-N 2.89Å
27R95.4Very high95.7Very high63 Ų6366.4 Ų66.424%0.23836%0.363CS..SBendtrans-94.1161177.6-61.6-170.5-179.1-106.72.6110.6L24 E61 H70 H73L24-R27 PolarHBondContact O-N 3.45Å; R27-E61 IonicContact CZ-OE1 3.73Å; R27-E61 IonicContact CZ-OE2 3.38Å; R27-E61 IonicContact NH1-OE1 3.87Å; R27-E61 IonicContact NH1-OE2 2.83Å; R27-E61 PolarHBondContact NH1-OE2 3.04Å; R27-E61 IonicContact NH2-OE1 2.73Å; R27-E61 PolarHBondContact NH2-OE1 3.15Å; R27-E61 IonicContact NH2-OE2 2.98Å; R27-E61 PolarHBondContact NH2-OE2 2.9Å; R27-H70 WeakPolarHBondContact CD-CE1 3.5Å; R27-H73 PolarHBondContact O-CD2 2.94Å; R27-H73 VanDerWaalsContact O-CD2 3.3Å; R27-H73 PolarHBondContact O-NE2 2.93Å
28R95.4Very high95.6Very high97 Ų9767 Ų6737%0.36637%0.365SS..  trans-71.5142.2169.5-69.4-17866.1167.2-2109.2Q30 H70 D479 K480R28-Q30 VanDerWaalsContact C-N 3.35Å; R28-Q30 PolarHBondContact O-N 3.41Å; R28-H70 PolarHBondContact O-CD2 3.49Å; R28-D479 PolarHBondContact NH2-O 2.78Å; R28-K480 PolarHBondContact NH2-O 3.43Å; R28-K480 VanDerWaalsContact NH2-O 3.08Å
29P96.4Very high95.4Very high2 Ų273.9 Ų73.91%0.01338%0.384CS..SBendtrans-65.2-36.3178.8-15.326.3000113.4H70 H73 R75 F76 G481P29-H70 PolarHBondContact O-N 3.5Å; P29-H73 HydrophobicContact CB-CB 4.17Å; P29-R75 HydrophobicContact CG-CB 4.21Å; P29-F76 HydrophobicContact CB-CB 4.31Å; P29-G481 WeakPolarHBondContact CD-O 3.45Å
30Q95.8Very high95.1Very high55 Ų5578.1 Ų78.126%0.25740%0.401SS..SBendtrans-114.3140.3178.7-167.7-171.516.200109.8R28 T69 Y484R28-Q30 VanDerWaalsContact C-N 3.35Å; R28-Q30 PolarHBondContact O-N 3.41Å; Q30-T69 HydrophobicContact CG-CG2 4.48Å; Q30-Y484 HydrophobicContact CB-CD1 4.38Å; Q30-Y484 HydrophobicContact CB-CD2 4.03Å; Q30-Y484 HydrophobicContact CB-CG 3.94Å; Q30-Y484 HydrophobicContact CG-CD2 4.16Å; Q30-Y484 HydrophobicContact CG-CE2 4.18Å; Q30-Y484 HydrophobicContact CG-CG 4.36Å
31S94.8Very high95Very high23 Ų2380.2 Ų80.216%0.16141%0.414CS..  trans-65.5144.8171.5178.80000111V33 Q66 G67 T69S31-V33 VanDerWaalsContact OG-CG2 3.29Å; S31-V33 WeakPolarHBondContact OG-CG2 2.86Å; S31-V33 PolarHBondContact OG-N 3.14Å; S31-Q66 PolarHBondContact OG-O 2.9Å; S31-G67 WeakPolarHBondContact OG-CA 3.27Å; S31-T69 PolarHBondContact N-OG1 3.37Å
32N93.7Very high95Very high112 Ų11283.2 Ų83.260%0.59943%0.43SS*.  trans-107.210.117966.1-29.6000113.4
33V94.7Very high94.9Very high46 Ų4683.6 Ų83.628%0.27943%0.434SS..PPolyproline II helixtrans-71.5158.4176.7-57.60000111.5S31 Y37 Q66S31-V33 VanDerWaalsContact OG-CG2 3.29Å; S31-V33 WeakPolarHBondContact OG-CG2 2.86Å; S31-V33 PolarHBondContact OG-N 3.14Å; V33-Y37 HydrophobicContact CB-CD1 3.65Å; V33-Y37 HydrophobicContact CB-CD2 4.06Å; V33-Y37 HydrophobicContact CB-CE1 4.1Å; V33-Y37 HydrophobicContact CB-CE2 4.46Å; V33-Y37 HydrophobicContact CB-CG 3.64Å; V33-Y37 HydrophobicContact CG1-CD1 4.31Å; V33-Y37 HydrophobicContact CG1-CD2 3.88Å; V33-Y37 HydrophobicContact CG1-CE1 4.49Å; V33-Y37 HydrophobicContact CG1-CE2 4.08Å; V33-Y37 HydrophobicContact CG1-CG 4.01Å; V33-Y37 HydrophobicContact CG2-CD1 3.36Å; V33-Y37 HydrophobicContact CG2-CD2 4.43Å; V33-Y37 HydrophobicContact CG2-CE1 3.43Å; V33-Y37 VanDerWaalsContact CG2-CE1 3.43Å; V33-Y37 HydrophobicContact CG2-CE2 4.49Å; V33-Y37 HydrophobicContact CG2-CG 3.91Å; V33-Q66 HydrophobicContact CG1-CB 4.32Å; V33-Q66 WeakPolarHBondContact CG1-O 3.31Å
34K94.5Very high94.9Very high170 Ų17085.7 Ų85.774%0.73945%0.446SS*.PPolyproline II helixtrans-97.5155.3175.6-66.1-177-179.8179.40111.1G36 Y37K34-G36 PolarHBondContact O-N 3.39Å; K34-Y37 WeakPolarHBondContact O-CB 3.11Å; K34-Y37 PolarHBondContact O-N 3.02Å
35P96.2Very high94.9Very high138 Ų13891.6 Ų91.690%0.89648%0.478SS*.THydrogen-bonded Turntrans-50.7133.4172.9-27.335.5000111.8
36G94Very high94.9Very high51 Ų5194 Ų9453%0.52649%0.493SS..THydrogen-bonded Turntrans90.8-8.3-179.100000116K34 M38 R39K34-G36 PolarHBondContact O-N 3.39Å; G36-M38 PolarHBondContact O-N 3.42Å; G36-M38 VanDerWaalsContact O-N 3.11Å; G36-R39 PolarHBondContact O-N 2.8Å; G36-R39 VanDerWaalsContact O-N 3.1Å
37Y94.9Very high94.9Very high52 Ų5293 Ų9320%0.20448%0.484CS..G310 helixtrans-52.4-39.4-175.184.1-76.7000114V33 K34 R39 H40 L41 Q66 G67V33-Y37 HydrophobicContact CB-CD1 3.65Å; V33-Y37 HydrophobicContact CB-CD2 4.06Å; V33-Y37 HydrophobicContact CB-CE1 4.1Å; V33-Y37 HydrophobicContact CB-CE2 4.46Å; V33-Y37 HydrophobicContact CB-CG 3.64Å; V33-Y37 HydrophobicContact CG1-CD1 4.31Å; V33-Y37 HydrophobicContact CG1-CD2 3.88Å; V33-Y37 HydrophobicContact CG1-CE1 4.49Å; V33-Y37 HydrophobicContact CG1-CE2 4.08Å; V33-Y37 HydrophobicContact CG1-CG 4.01Å; V33-Y37 HydrophobicContact CG2-CD1 3.36Å; V33-Y37 HydrophobicContact CG2-CD2 4.43Å; V33-Y37 HydrophobicContact CG2-CE1 3.43Å; V33-Y37 VanDerWaalsContact CG2-CE1 3.43Å; V33-Y37 HydrophobicContact CG2-CE2 4.49Å; V33-Y37 HydrophobicContact CG2-CG 3.91Å; K34-Y37 WeakPolarHBondContact O-CB 3.11Å; K34-Y37 PolarHBondContact O-N 3.02Å; Y37-R39 VanDerWaalsContact C-N 3.27Å; Y37-R39 PolarHBondContact O-N 3.42Å; Y37-H40 PolarHBondContact O-N 3.3Å; Y37-L41 HydrophobicContact CD2-CD1 3.8Å; Y37-L41 HydrophobicContact CE2-CD1 3.83Å; Y37-Q66 HydrophobicContact CE2-CB 4.33Å; Y37-G67 WeakPolarHBondContact OH-CA 3.47Å; Y37-G67 PolarHBondContact OH-N 3.08Å
38M94.9Very high95Very high68 Ų6899.2 Ų99.234%0.33552%0.516SS..G310 helixtrans-65.4-29.1-175.2-171.6172.6-71.600112.7G36 H40 L41 I42 V63 I64G36-M38 PolarHBondContact O-N 3.42Å; G36-M38 VanDerWaalsContact O-N 3.11Å; M38-H40 PolarHBondContact O-N 3.06Å; M38-H40 VanDerWaalsContact O-N 3.14Å; M38-L41 PolarHBondContact O-N 2.67Å; M38-I42 HydrophobicContact CG-CG2 4.47Å; M38-I42 PolarHBondContact O-N 3.05Å; M38-V63 HydrophobicContact CG-CG1 4.28Å; M38-I64 HydrophobicContact CE-CD1 4.47Å
39R93.8Very high95Very high178 Ų178100.7 Ų100.767%0.67253%0.531SS*.G310 helixtrans-62.3-23.5179.8-172.2170.9-178.2156.82.6112.7G36 Y37 E44G36-R39 PolarHBondContact O-N 2.8Å; G36-R39 VanDerWaalsContact O-N 3.1Å; Y37-R39 VanDerWaalsContact C-N 3.27Å; Y37-R39 PolarHBondContact O-N 3.42Å; R39-E44 IonicContact NH2-OE1 2.85Å; R39-E44 PolarHBondContact NH2-OE1 3.03Å
40H92.1Very high94.9Very high165 Ų165104.5 Ų104.576%0.76457%0.571SS**G310 helixtrans-89.8-5.8177-55.4-59.6000113.4Y37 M38Y37-H40 PolarHBondContact O-N 3.3Å; M38-H40 PolarHBondContact O-N 3.06Å; M38-H40 VanDerWaalsContact O-N 3.14Å
41L94.2Very high94.9Very high72 Ų72106.7 Ų106.738%0.37758%0.581SS.*THydrogen-bonded Turntrans-105.6-15-177.5-61.2178.7000113Y37 M38 V63Y37-L41 HydrophobicContact CD2-CD1 3.8Å; Y37-L41 HydrophobicContact CE2-CD1 3.83Å; M38-L41 PolarHBondContact O-N 2.67Å; L41-V63 HydrophobicContact CB-CG1 4.26Å; L41-V63 HydrophobicContact CB-CG2 4.34Å
42I94.5Very high94.9Very high85 Ų85108.1 Ų108.144%0.43659%0.591SS.*SBendtrans-118.1153.3178.466.5176.6000110.3M38 V63M38-I42 HydrophobicContact CG-CG2 4.47Å; M38-I42 PolarHBondContact O-N 3.05Å; I42-V63 HydrophobicContact CG2-CG1 3.7Å
43P94Very high95Very high101 Ų101106.2 Ų106.266%0.65658%0.578SS**  trans-56.3151.3170.7-24.835.6000112.4D45P43-D45 VanDerWaalsContact C-N 3.32Å; P43-D45 WeakPolarHBondContact CB-O 3.48Å
44E95.5Very high95Very high159 Ų159108.8 Ų108.874%0.74359%0.589SS**SBendtrans-68.6-34.2175.9-177.3156-140.400112R39R39-E44 IonicContact NH2-OE1 2.85Å; R39-E44 PolarHBondContact NH2-OE1 3.03Å
45D96Very high95.1Very high124 Ų124104.5 Ų104.566%0.66358%0.575SS**SBendtrans-110.4147.1178.6-63-61.9000111.4P43P43-D45 VanDerWaalsContact C-N 3.32Å; P43-D45 WeakPolarHBondContact CB-O 3.48Å
46P96.1Very high95.1Very high111 Ų111101.3 Ų101.372%0.72155%0.55SS*.  trans-65.7152.2173.330-35.4000111.2
47P95.9Very high95.2Very high80 Ų80100.7 Ų100.752%0.51953%0.532SS..  trans-70.6136.4178.931.6-36.2000111.1N49 E51P47-N49 VanDerWaalsContact C-N 3.29Å; P47-N49 WeakPolarHBondContact CB-O 3.46Å; P47-E51 HydrophobicContact CB-CG 4.47Å; P47-E51 HydrophobicContact CG-CG 4.49Å
48E96.9Very high95.2Very high194 Ų194101.1 Ų101.191%0.90755%0.546SS*.SBendtrans-68.8-30.1173.7-69.1-174166.800112.3
49N96.2Very high95.3Very high128 Ų128101.3 Ų101.368%0.68455%0.549SS*.SBendtrans-114.3143.1179.9-63.5-71000109.9P47P47-N49 VanDerWaalsContact C-N 3.29Å; P47-N49 WeakPolarHBondContact CB-O 3.46Å
50G94.2Very high95.4Very high82 Ų8294.2 Ų94.285%0.84552%0.524SS*.PPolyproline II helixtrans-59.7140.6175.600000111.9
51E95.5Very high95.5Very high102 Ų10289.8 Ų89.848%0.47750%0.504SS..PPolyproline II helixtrans-92.4158.5176-62.8-171.78500111.6P47P47-E51 HydrophobicContact CB-CG 4.47Å; P47-E51 HydrophobicContact CG-CG 4.49Å
52S95.5Very high95.5Very high53 Ų5389.6 Ų89.637%0.37151%0.506SS..PPolyproline II helixtrans-66.8148.117567.20000110.5D54 N55 I56S52-D54 PolarHBondContact O-N 2.99Å; S52-N55 WeakPolarHBondContact O-CB 3.48Å; S52-N55 PolarHBondContact O-N 2.99Å; S52-N55 VanDerWaalsContact O-N 3.1Å; S52-N55 PolarHBondContact OG-N 2.97Å; S52-N55 PolarHBondContact OG-OD1 3.49Å; S52-I56 PolarHBondContact O-N 3.31Å
53F95.1Very high95.5Very high72 Ų7286 Ų8632%0.31649%0.488SS..Hα-helixtrans-65.2-21.9172.5-99.6-104.2000112.7M1 W9 N55 I56 F57M1-F53 HydrophobicContact CE-CD1 3.96Å; M1-F53 HydrophobicContact CE-CD2 3.75Å; M1-F53 HydrophobicContact CE-CE1 3.52Å; M1-F53 HydrophobicContact CE-CE2 3.29Å; M1-F53 HydrophobicContact CE-CG 4.07Å; M1-F53 HydrophobicContact CE-CZ 3.16Å; W9-F53 HydrophobicContact CB-CD1 3.97Å; W9-F53 HydrophobicContact CB-CE1 4.45Å; W9-F53 AromaticContact CD1-CG 3.95Å; W9-F53 HydrophobicContact CD2-CB 3.45Å; W9-F53 VanDerWaalsContact CD2-CB 3.45Å; W9-F53 HydrophobicContact CD2-CD1 4.09Å; W9-F53 HydrophobicContact CD2-CG 4.04Å; W9-F53 HydrophobicContact CE3-CB 3.92Å; W9-F53 HydrophobicContact CE3-CD1 4.48Å; W9-F53 HydrophobicContact CG-CB 3.88Å; W9-F53 AromaticContact CG-CD1 3.84Å; W9-F53 HydrophobicContact CG-CD1 3.84Å; W9-F53 AromaticContact CG-CG 3.95Å; W9-F53 HydrophobicContact CG-CG 3.95Å; W9-F53 HydrophobicContact CH2-CB 3.97Å; W9-F53 HydrophobicContact CZ2-CB 3.51Å; W9-F53 HydrophobicContact CZ3-CB 4.15Å; F53-N55 VanDerWaalsContact C-N 3.33Å; F53-I56 HydrophobicContact CD2-CD1 4.03Å; F53-I56 HydrophobicContact CE2-CD1 4.05Å; F53-I56 HydrophobicContact CG-CD1 4.32Å; F53-I56 HydrophobicContact CZ-CD1 4.39Å; F53-I56 PolarHBondContact O-N 3.37Å; F53-F57 HydrophobicContact CD1-CD2 4.16Å; F53-F57 HydrophobicContact CD1-CE2 4.01Å; F53-F57 WeakPolarHBondContact O-CB 3.49Å; F53-F57 WeakPolarHBondContact O-CD2 3.26Å; F53-F57 PolarHBondContact O-N 3.07Å
54D95.7Very high95.6Very high99 Ų9985.1 Ų85.153%0.52948%0.477SS..Hα-helixtrans-58.1-45.2169.5-64-87.1000111.3W9 S52 F57 A58W9-D54 HydrophobicContact CH2-CB 4.28Å; W9-D54 VanDerWaalsContact CH2-CG 3.46Å; W9-D54 WeakPolarHBondContact CH2-OD1 3.37Å; W9-D54 WeakPolarHBondContact CH2-OD2 3.49Å; W9-D54 WeakPolarHBondContact CZ2-OD2 3.42Å; S52-D54 PolarHBondContact O-N 2.99Å; D54-F57 PolarHBondContact O-N 3.22Å; D54-A58 WeakPolarHBondContact O-CB 3.47Å; D54-A58 PolarHBondContact O-N 2.78Å
55N95.5Very high95.6Very high80 Ų8078.6 Ų78.643%0.42845%0.446SS..Hα-helixtrans-65.2-46.1175.9-68.51.3000110.9S52 F53 F57 A58 D59S52-N55 WeakPolarHBondContact O-CB 3.48Å; S52-N55 PolarHBondContact O-N 2.99Å; S52-N55 VanDerWaalsContact O-N 3.1Å; S52-N55 PolarHBondContact OG-N 2.97Å; S52-N55 PolarHBondContact OG-OD1 3.49Å; F53-N55 VanDerWaalsContact C-N 3.33Å; N55-F57 VanDerWaalsContact C-N 3.31Å; N55-F57 PolarHBondContact O-N 3.33Å; N55-A58 WeakPolarHBondContact O-CB 3.39Å; N55-A58 PolarHBondContact O-N 3.03Å; N55-A58 VanDerWaalsContact O-N 3.12Å; N55-D59 PolarHBondContact O-N 3.18Å; N55-D59 VanDerWaalsContact O-N 3.07Å
56I96Very high95.5Very high72 Ų7277.2 Ų77.237%0.36944%0.436SS..Hα-helixtrans-60.3-41.3179.5-60.6171.3000111.2S52 F53 D59 L60S52-I56 PolarHBondContact O-N 3.31Å; F53-I56 HydrophobicContact CD2-CD1 4.03Å; F53-I56 HydrophobicContact CE2-CD1 4.05Å; F53-I56 HydrophobicContact CG-CD1 4.32Å; F53-I56 HydrophobicContact CZ-CD1 4.39Å; F53-I56 PolarHBondContact O-N 3.37Å; I56-D59 PolarHBondContact O-N 3.47Å; I56-L60 PolarHBondContact O-N 3.48Å
57F96.3Very high95.5Very high38 Ų3873 Ų7317%0.16741%0.413CS..Hα-helixtrans-67.8-37.2176.2-97-96.6000112.4W9 Q12 M13 F53 D54 N55 D59 L60W9-F57 HydrophobicContact CB-CE2 4.31Å; W9-F57 HydrophobicContact CD2-CE2 4.31Å; W9-F57 AromaticContact CE3-CD2 3.61Å; W9-F57 HydrophobicContact CE3-CD2 3.61Å; W9-F57 AromaticContact CE3-CE2 3.48Å; W9-F57 HydrophobicContact CE3-CE2 3.48Å; W9-F57 VanDerWaalsContact CE3-CE2 3.48Å; W9-F57 HydrophobicContact CE3-CG 4.45Å; W9-F57 HydrophobicContact CE3-CZ 4.22Å; W9-F57 AromaticContact CZ3-CD2 3.81Å; W9-F57 HydrophobicContact CZ3-CD2 3.81Å; W9-F57 HydrophobicContact CZ3-CE2 4.14Å; W9-F57 HydrophobicContact CZ3-CG 4.31Å; Q12-F57 HydrophobicContact CB-CE1 3.99Å; Q12-F57 HydrophobicContact CB-CZ 3.89Å; M13-F57 HydrophobicContact CB-CZ 3.97Å; M13-F57 HydrophobicContact CE-CE1 4.16Å; M13-F57 HydrophobicContact CE-CE2 4.18Å; M13-F57 HydrophobicContact CE-CZ 3.77Å; F53-F57 HydrophobicContact CD1-CD2 4.16Å; F53-F57 HydrophobicContact CD1-CE2 4.01Å; F53-F57 WeakPolarHBondContact O-CB 3.49Å; F53-F57 WeakPolarHBondContact O-CD2 3.26Å; F53-F57 PolarHBondContact O-N 3.07Å; D54-F57 PolarHBondContact O-N 3.22Å; N55-F57 VanDerWaalsContact C-N 3.31Å; N55-F57 PolarHBondContact O-N 3.33Å; F57-D59 PolarHBondContact O-N 3.01Å; F57-L60 HydrophobicContact CD1-CD1 3.72Å; F57-L60 HydrophobicContact CE1-CD1 4.11Å; F57-L60 HydrophobicContact CG-CD1 4.16Å; F57-L60 WeakPolarHBondContact O-CB 3.32Å; F57-L60 PolarHBondContact O-N 3.01Å
58A95.2Very high95.5Very high60 Ų6071.2 Ų71.250%0.49640%0.4SS..Hα-helixtrans-61.3-34.2174.800000111.8D54 N55 L60 T62D54-A58 WeakPolarHBondContact O-CB 3.47Å; D54-A58 PolarHBondContact O-N 2.78Å; N55-A58 WeakPolarHBondContact O-CB 3.39Å; N55-A58 PolarHBondContact O-N 3.03Å; N55-A58 VanDerWaalsContact O-N 3.12Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 3.04Å; A58-T62 PolarHBondContact O-OG1 3.25Å
59D96.5Very high95.5Very high72 Ų7264 Ų6439%0.38537%0.37SS..Hα-helixtrans-76.2-14.1179.8-76.2-8.5000114.7N55 I56 F57 E61 T62 V63 I64N55-D59 PolarHBondContact O-N 3.18Å; N55-D59 VanDerWaalsContact O-N 3.07Å; I56-D59 PolarHBondContact O-N 3.47Å; F57-D59 PolarHBondContact O-N 3.01Å; D59-E61 PolarHBondContact O-N 3.22Å; D59-T62 WeakPolarHBondContact CA-OG1 3.3Å; D59-V63 HydrophobicContact CB-CB 4.32Å; D59-V63 HydrophobicContact CB-CG2 3.79Å; D59-V63 WeakPolarHBondContact O-CA 2.96Å; D59-V63 VanDerWaalsContact O-CB 3.23Å; D59-V63 WeakPolarHBondContact O-CB 3.44Å; D59-V63 PolarHBondContact O-N 2.69Å; D59-I64 PolarHBondContact O-N 2.97Å
60L96.3Very high95.5Very high30 Ų3058.4 Ų58.416%0.15734%0.34CS..Iπ-helixtrans-57.9-51.6179.2-64.5177.2000111.3M13 Y16 I56 F57 A58 I64 M65M13-L60 HydrophobicContact CE-CD1 3.92Å; M13-L60 HydrophobicContact SD-CD1 4.4Å; Y16-L60 HydrophobicContact CD1-CD1 4.44Å; Y16-L60 HydrophobicContact CE1-CD1 4.4Å; I56-L60 PolarHBondContact O-N 3.48Å; F57-L60 HydrophobicContact CD1-CD1 3.72Å; F57-L60 HydrophobicContact CE1-CD1 4.11Å; F57-L60 HydrophobicContact CG-CD1 4.16Å; F57-L60 WeakPolarHBondContact O-CB 3.32Å; F57-L60 PolarHBondContact O-N 3.01Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 3.04Å; L60-I64 WeakPolarHBondContact O-CB 3.4Å; L60-I64 PolarHBondContact O-N 3.22Å; L60-M65 VanDerWaalsContact O-CG 3.3Å; L60-M65 WeakPolarHBondContact O-CG 3.49Å; L60-M65 PolarHBondContact O-N 3.31Å
61E94.6Very high95.6Very high72 Ų7259.2 Ų59.234%0.33632%0.317SS..Iπ-helixtrans-77.2-39.6-179.8-70.4-63.515400112.8Y16 R27 D59 Q66Y16-E61 HydrophobicContact CE2-CG 4.43Å; Y16-E61 VanDerWaalsContact CE2-OE1 3.3Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.41Å; Y16-E61 PolarHBondContact OH-OE1 3.16Å; R27-E61 IonicContact CZ-OE1 3.73Å; R27-E61 IonicContact CZ-OE2 3.38Å; R27-E61 IonicContact NH1-OE1 3.87Å; R27-E61 IonicContact NH1-OE2 2.83Å; R27-E61 PolarHBondContact NH1-OE2 3.04Å; R27-E61 IonicContact NH2-OE1 2.73Å; R27-E61 PolarHBondContact NH2-OE1 3.15Å; R27-E61 IonicContact NH2-OE2 2.98Å; R27-E61 PolarHBondContact NH2-OE2 2.9Å; D59-E61 PolarHBondContact O-N 3.22Å; E61-Q66 WeakPolarHBondContact O-CG 3.47Å
62T93.9Very high95.7Very high68 Ų6855.5 Ų55.542%0.41730%0.3SS..Iπ-helixtrans-79.7-28.5-173.1580000112.7A58 D59 Q66A58-T62 PolarHBondContact O-OG1 3.25Å; D59-T62 WeakPolarHBondContact CA-OG1 3.3Å; T62-Q66 PolarHBondContact O-NE2 3.5Å
63V95.5Very high95.8Very high10 Ų1053.1 Ų53.16%0.06128%0.283CS..Iπ-helixtrans-108.8-53.3-177.9-174.40000111.1M38 L41 I42 D59M38-V63 HydrophobicContact CG-CG1 4.28Å; L41-V63 HydrophobicContact CB-CG1 4.26Å; L41-V63 HydrophobicContact CB-CG2 4.34Å; I42-V63 HydrophobicContact CG2-CG1 3.7Å; D59-V63 HydrophobicContact CB-CB 4.32Å; D59-V63 HydrophobicContact CB-CG2 3.79Å; D59-V63 WeakPolarHBondContact O-CA 2.96Å; D59-V63 VanDerWaalsContact O-CB 3.23Å; D59-V63 WeakPolarHBondContact O-CB 3.44Å; D59-V63 PolarHBondContact O-N 2.69Å
64I96Very high95.9Very high82 Ų8249.8 Ų49.842%0.42127%0.269SS..Iπ-helixtrans-82-58.7-169.4-54.9-58.9000111.4M38 D59 L60 Q66 G67 V68M38-I64 HydrophobicContact CE-CD1 4.47Å; D59-I64 PolarHBondContact O-N 2.97Å; L60-I64 WeakPolarHBondContact O-CB 3.4Å; L60-I64 PolarHBondContact O-N 3.22Å; I64-Q66 PolarHBondContact O-N 3.16Å; I64-Q66 VanDerWaalsContact O-N 3.12Å; I64-G67 PolarHBondContact O-N 3.44Å; I64-V68 HydrophobicContact CG2-CG2 4.22Å
65M95.8Very high96Very high21 Ų2148.1 Ų48.110%0.10326%0.255CS..G310 helixtrans-65.2-22.5-168.2-65.9-54.7-7800114.4Y16 Y20 L60 G67 V68Y16-M65 WeakPolarHBondContact OH-CG 3.46Å; Y20-M65 HydrophobicContact CD2-CE 3.38Å; Y20-M65 HydrophobicContact CE2-CE 3.22Å; Y20-M65 HydrophobicContact CG-CE 4.29Å; L60-M65 VanDerWaalsContact O-CG 3.3Å; L60-M65 WeakPolarHBondContact O-CG 3.49Å; L60-M65 PolarHBondContact O-N 3.31Å; M65-G67 PolarHBondContact O-N 3.42Å; M65-V68 PolarHBondContact O-N 2.78Å; M65-V68 HydrophobicContact SD-CB 4.45Å; M65-V68 HydrophobicContact SD-CG2 3.9Å
66Q92.9Very high96.1Very high95 Ų9544.3 Ų44.344%0.44423%0.234SC..G310 helixtrans-59.8-35.4174.4-58.3-161.430.600112.5S31 V33 Y37 E61 T62 I64S31-Q66 PolarHBondContact OG-O 2.9Å; V33-Q66 HydrophobicContact CG1-CB 4.32Å; V33-Q66 WeakPolarHBondContact CG1-O 3.31Å; Y37-Q66 HydrophobicContact CE2-CB 4.33Å; E61-Q66 WeakPolarHBondContact O-CG 3.47Å; T62-Q66 PolarHBondContact O-NE2 3.5Å; I64-Q66 PolarHBondContact O-N 3.16Å; I64-Q66 VanDerWaalsContact O-N 3.12Å
67G95.6Very high96.2Very high24 Ų2440.9 Ų40.925%0.24722%0.217CC..G310 helixtrans-92.9-5.4-179.500000114.9S31 Y37 I64 M65 T69S31-G67 WeakPolarHBondContact OG-CA 3.27Å; Y37-G67 WeakPolarHBondContact OH-CA 3.47Å; Y37-G67 PolarHBondContact OH-N 3.08Å; I64-G67 PolarHBondContact O-N 3.44Å; M65-G67 PolarHBondContact O-N 3.42Å; G67-T69 PolarHBondContact O-N 3.5Å
68V96.6Very high96.1Very high41 Ų4139 Ų3925%0.24821%0.209CC..  trans-72.8122.3-176.8174.10000109.3I64 M65 H70I64-V68 HydrophobicContact CG2-CG2 4.22Å; M65-V68 PolarHBondContact O-N 2.78Å; M65-V68 HydrophobicContact SD-CB 4.45Å; M65-V68 HydrophobicContact SD-CG2 3.9Å; V68-H70 PolarHBondContact O-CD2 2.76Å; V68-H70 VanDerWaalsContact O-CD2 3.28Å; V68-H70 PolarHBondContact O-NE2 3.16Å
69T97.1Very high96.1Very high44 Ų4441.6 Ų41.627%0.2721%0.206SC..  trans-81.1124.8160.4-70.20000107.9Q30 S31 G67 W71 F76Q30-T69 HydrophobicContact CG-CG2 4.48Å; S31-T69 PolarHBondContact N-OG1 3.37Å; G67-T69 PolarHBondContact O-N 3.5Å; T69-W71 VanDerWaalsContact O-CD1 3.24Å; T69-W71 PolarHBondContact O-N 2.94Å; T69-W71 VanDerWaalsContact O-N 3.14Å; T69-F76 HydrophobicContact CG2-CD2 4.18Å; T69-F76 HydrophobicContact CG2-CE2 3.59Å
70H96.9Very high95.9Very high10 Ų1038.8 Ų38.85%0.04619%0.191CC..  trans-90.378.6-169-63.9-74.4000110.9Y20 L24 R27 R28 P29 V68 H72 H73Y20-H70 AromaticContact CE2-CE1 3.68Å; Y20-H70 AromaticContact CE2-ND1 3.4Å; Y20-H70 WeakPolarHBondContact CE2-ND1 3.46Å; Y20-H70 AromaticContact CZ-ND1 3.56Å; Y20-H70 PolarHBondContact OH-ND1 3.38Å; L24-H70 HydrophobicContact CD1-CB 3.95Å; R27-H70 WeakPolarHBondContact CD-CE1 3.5Å; R28-H70 PolarHBondContact O-CD2 3.49Å; P29-H70 PolarHBondContact O-N 3.5Å; V68-H70 PolarHBondContact O-CD2 2.76Å; V68-H70 VanDerWaalsContact O-CD2 3.28Å; V68-H70 PolarHBondContact O-NE2 3.16Å; H70-H72 PolarHBondContact O-N 3.38Å; H70-H73 HydrophobicContact CB-CB 4Å; H70-H73 WeakPolarHBondContact O-CB 3.4Å; H70-H73 PolarHBondContact O-N 3.16Å
71W96.3Very high95.7Very high99 Ų9937.7 Ų37.738%0.37519%0.186SC..THydrogen-bonded Turntrans-58.1-23.9-175.3-74.275.7000115.3T69 F76 Y79 T82T69-W71 VanDerWaalsContact O-CD1 3.24Å; T69-W71 PolarHBondContact O-N 2.94Å; T69-W71 VanDerWaalsContact O-N 3.14Å; W71-F76 HydrophobicContact CB-CE1 4.45Å; W71-F76 HydrophobicContact CB-CZ 4.44Å; W71-F76 AromaticContact CD2-CE1 3.86Å; W71-F76 HydrophobicContact CD2-CE1 3.86Å; W71-F76 HydrophobicContact CD2-CE2 4.09Å; W71-F76 AromaticContact CD2-CZ 3.43Å; W71-F76 HydrophobicContact CD2-CZ 3.43Å; W71-F76 VanDerWaalsContact CD2-CZ 3.43Å; W71-F76 AromaticContact CE2-CZ 3.9Å; W71-F76 HydrophobicContact CE3-CD1 4.49Å; W71-F76 AromaticContact CE3-CE1 3.42Å; W71-F76 HydrophobicContact CE3-CE1 3.42Å; W71-F76 VanDerWaalsContact CE3-CE1 3.42Å; W71-F76 HydrophobicContact CE3-CE2 4.44Å; W71-F76 AromaticContact CE3-CZ 3.38Å; W71-F76 HydrophobicContact CE3-CZ 3.38Å; W71-F76 HydrophobicContact CG-CE1 4.33Å; W71-F76 HydrophobicContact CG-CE2 4.17Å; W71-F76 AromaticContact CG-CZ 3.92Å; W71-F76 HydrophobicContact CG-CZ 3.92Å; W71-F76 HydrophobicContact CH2-CZ 4.29Å; W71-F76 HydrophobicContact CZ2-CZ 4.3Å; W71-F76 AromaticContact CZ3-CE1 3.98Å; W71-F76 HydrophobicContact CZ3-CE1 3.98Å; W71-F76 AromaticContact CZ3-CZ 3.85Å; W71-F76 HydrophobicContact CZ3-CZ 3.85Å; W71-F76 WeakPolarHBondContact O-CD1 3.43Å; W71-Y79 AromaticContact CH2-CD2 3.33Å; W71-Y79 HydrophobicContact CH2-CD2 3.33Å; W71-Y79 AromaticContact CH2-CE2 3.94Å; W71-Y79 HydrophobicContact CH2-CE2 3.94Å; W71-Y79 AromaticContact CH2-CG 3.97Å; W71-Y79 HydrophobicContact CH2-CG 3.97Å; W71-Y79 HydrophobicContact CZ2-CD2 4.01Å; W71-Y79 HydrophobicContact CZ2-CE2 4.2Å; W71-Y79 AromaticContact CZ3-CD2 3.79Å; W71-Y79 HydrophobicContact CZ3-CD2 3.79Å; W71-Y79 HydrophobicContact CZ3-CG 4.29Å; W71-T82 HydrophobicContact CB-CG2 3.45Å; W71-T82 VanDerWaalsContact CB-CG2 3.45Å; W71-T82 HydrophobicContact CD2-CG2 4.07Å; W71-T82 HydrophobicContact CE3-CG2 3.68Å; W71-T82 HydrophobicContact CG-CG2 4.03Å
72H96Very high95.5Very high23 Ų2335.7 Ų35.711%0.10618%0.178CC..THydrogen-bonded Turntrans-95.53.4177.5-54.2-63.5000113.3W21 L24 H70 T82 N84 S502W21-H72 HydrophobicContact CH2-CB 3.41Å; W21-H72 VanDerWaalsContact CH2-CB 3.41Å; W21-H72 AromaticContact CH2-CD2 3.63Å; W21-H72 AromaticContact CH2-CG 3.27Å; W21-H72 AromaticContact CH2-ND1 3.68Å; W21-H72 HydrophobicContact CZ2-CB 3.88Å; W21-H72 AromaticContact CZ2-CD2 3.32Å; W21-H72 WeakPolarHBondContact CZ2-CD2 3.05Å; W21-H72 AromaticContact CZ2-CG 3.51Å; W21-H72 AromaticContact CZ2-NE2 3.86Å; W21-H72 HydrophobicContact CZ3-CB 3.81Å; L24-H72 VanDerWaalsContact CD2-C 3.41Å; L24-H72 HydrophobicContact CD2-CB 3.79Å; L24-H72 WeakPolarHBondContact CD2-O 3.46Å; H70-H72 PolarHBondContact O-N 3.38Å; H72-T82 PolarHBondContact CE1-O 2.87Å; H72-T82 PolarHBondContact ND1-O 3.29Å; H72-N84 WeakPolarHBondContact CE1-CB 3.37Å; H72-N84 WeakPolarHBondContact NE2-CB 3.27Å; H72-N84 PolarHBondContact NE2-ND2 2.9Å; H72-S502 VanDerWaalsContact O-CB 3.29Å; H72-S502 WeakPolarHBondContact O-CB 3.39Å; H72-S502 PolarHBondContact O-OG 3.43Å
73H97.5Very high95.5Very high3 Ų332.7 Ų32.71%0.01416%0.161CC..SBendtrans-59.2138.5175.4-174.7-81.2000109.7L24 R27 P29 H70 R75 F76 S502L24-H73 HydrophobicContact CG-CB 4.39Å; L24-H73 PolarHBondContact O-CD2 2.96Å; R27-H73 PolarHBondContact O-CD2 2.94Å; R27-H73 VanDerWaalsContact O-CD2 3.3Å; R27-H73 PolarHBondContact O-NE2 2.93Å; P29-H73 HydrophobicContact CB-CB 4.17Å; H70-H73 HydrophobicContact CB-CB 4Å; H70-H73 WeakPolarHBondContact O-CB 3.4Å; H70-H73 PolarHBondContact O-N 3.16Å; H73-R75 WeakPolarHBondContact ND1-CA 3.35Å; H73-R75 WeakPolarHBondContact ND1-CB 3.41Å; H73-R75 PolarHBondContact ND1-N 2.98Å; H73-R75 PolarHBondContact O-N 2.9Å; H73-F76 HydrophobicContact CB-CB 4.18Å; H73-F76 WeakPolarHBondContact O-CB 3.41Å; H73-F76 PolarHBondContact O-N 3.31Å; H73-S502 WeakPolarHBondContact O-CB 3.43Å
74P97.3Very high95.4Very high3 Ų333.5 Ų33.52%0.01917%0.165CC..THydrogen-bonded Turntrans-60.1-16.7-177.824.4-36.7000114.2P25 M504 T505 D509P25-P74 HydrophobicContact CB-CG 4.02Å; P25-P74 HydrophobicContact CG-CG 4Å; P74-M504 HydrophobicContact CB-CB 4.27Å; P74-T505 WeakPolarHBondContact O-CG2 3.38Å; P74-T505 PolarHBondContact O-OG1 2.95Å; P74-D509 HydrophobicContact CB-CB 4.43Å
75R97.8Very high95.5Very high63 Ų6330.1 Ų30.124%0.23815%0.148CC..THydrogen-bonded Turntrans-11217.4177.3-50.2175.3-168.9166.52.5115P29 H73 F77 D482 I483 Y484 D509P29-R75 HydrophobicContact CG-CB 4.21Å; H73-R75 WeakPolarHBondContact ND1-CA 3.35Å; H73-R75 WeakPolarHBondContact ND1-CB 3.41Å; H73-R75 PolarHBondContact ND1-N 2.98Å; H73-R75 PolarHBondContact O-N 2.9Å; R75-F77 VanDerWaalsContact CA-CE2 3.46Å; R75-F77 HydrophobicContact CB-CE2 3.94Å; R75-F77 HydrophobicContact CB-CZ 4.37Å; R75-F77 WeakPolarHBondContact O-CD2 3.27Å; R75-D482 WeakPolarHBondContact CD-O 3.45Å; R75-I483 HydrophobicContact CB-CB 4.38Å; R75-I483 HydrophobicContact CB-CG2 3.97Å; R75-I483 HydrophobicContact CG-CG2 4.44Å; R75-Y484 PolarHBondContact O-N 3.1Å; R75-Y484 VanDerWaalsContact O-N 3.12Å; R75-D509 HydrophobicContact CG-CB 4.04Å; R75-D509 IonicContact CZ-OD1 3.86Å; R75-D509 IonicContact NE-OD1 3.1Å; R75-D509 PolarHBondContact NE-OD1 3.39Å; R75-D509 VanDerWaalsContact NE-OD1 3.1Å; R75-D509 IonicContact NH2-OD1 3.69Å
76F97.9Very high95.5Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-87.9117.5165.4-176.8-81.4000108.5P29 T69 W71 H73 A78 Y79 Y484 S501P29-F76 HydrophobicContact CB-CB 4.31Å; T69-F76 HydrophobicContact CG2-CD2 4.18Å; T69-F76 HydrophobicContact CG2-CE2 3.59Å; W71-F76 HydrophobicContact CB-CE1 4.45Å; W71-F76 HydrophobicContact CB-CZ 4.44Å; W71-F76 AromaticContact CD2-CE1 3.86Å; W71-F76 HydrophobicContact CD2-CE1 3.86Å; W71-F76 HydrophobicContact CD2-CE2 4.09Å; W71-F76 AromaticContact CD2-CZ 3.43Å; W71-F76 HydrophobicContact CD2-CZ 3.43Å; W71-F76 VanDerWaalsContact CD2-CZ 3.43Å; W71-F76 AromaticContact CE2-CZ 3.9Å; W71-F76 HydrophobicContact CE3-CD1 4.49Å; W71-F76 AromaticContact CE3-CE1 3.42Å; W71-F76 HydrophobicContact CE3-CE1 3.42Å; W71-F76 VanDerWaalsContact CE3-CE1 3.42Å; W71-F76 HydrophobicContact CE3-CE2 4.44Å; W71-F76 AromaticContact CE3-CZ 3.38Å; W71-F76 HydrophobicContact CE3-CZ 3.38Å; W71-F76 HydrophobicContact CG-CE1 4.33Å; W71-F76 HydrophobicContact CG-CE2 4.17Å; W71-F76 AromaticContact CG-CZ 3.92Å; W71-F76 HydrophobicContact CG-CZ 3.92Å; W71-F76 HydrophobicContact CH2-CZ 4.29Å; W71-F76 HydrophobicContact CZ2-CZ 4.3Å; W71-F76 AromaticContact CZ3-CE1 3.98Å; W71-F76 HydrophobicContact CZ3-CE1 3.98Å; W71-F76 AromaticContact CZ3-CZ 3.85Å; W71-F76 HydrophobicContact CZ3-CZ 3.85Å; W71-F76 WeakPolarHBondContact O-CD1 3.43Å; H73-F76 HydrophobicContact CB-CB 4.18Å; H73-F76 WeakPolarHBondContact O-CB 3.41Å; H73-F76 PolarHBondContact O-N 3.31Å; F76-A78 HydrophobicContact CE1-CB 4.09Å; F76-A78 VanDerWaalsContact CE1-O 3.29Å; F76-A78 WeakPolarHBondContact CE1-O 3.46Å; F76-A78 HydrophobicContact CE2-CB 4.33Å; F76-A78 HydrophobicContact CZ-CB 3.86Å; F76-Y79 HydrophobicContact CZ-CD2 4.18Å; F76-Y484 AromaticContact CD2-CD1 3.78Å; F76-Y484 HydrophobicContact CD2-CD1 3.78Å; F76-Y484 AromaticContact CE2-CD1 3.47Å; F76-Y484 HydrophobicContact CE2-CD1 3.47Å; F76-Y484 VanDerWaalsContact CE2-CD1 3.47Å; F76-Y484 AromaticContact CE2-CE1 3.86Å; F76-Y484 HydrophobicContact CE2-CE1 3.86Å; F76-Y484 HydrophobicContact CZ-CD1 4.18Å; F76-Y484 HydrophobicContact CZ-CE1 4.32Å; F76-S501 WeakPolarHBondContact O-CB 3.21Å
77F97.7Very high95.8Very high0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-128.610.8-176.7-51.7-73.9000113.9R75 I483 Y484 F485 L498 C499 I500 T505 A513R75-F77 VanDerWaalsContact CA-CE2 3.46Å; R75-F77 HydrophobicContact CB-CE2 3.94Å; R75-F77 HydrophobicContact CB-CZ 4.37Å; R75-F77 WeakPolarHBondContact O-CD2 3.27Å; F77-I483 HydrophobicContact CE2-CB 4.4Å; F77-I483 HydrophobicContact CE2-CG2 4.42Å; F77-Y484 CarbonylContact C-O 3.53Å; F77-Y484 WeakPolarHBondContact CA-O 3.48Å; F77-Y484 PolarHBondContact N-O 3.26Å; F77-F485 HydrophobicContact CB-CB 4.14Å; F77-L498 HydrophobicContact CB-CD2 4.23Å; F77-L498 HydrophobicContact CB-CG 3.76Å; F77-L498 HydrophobicContact CD1-CD2 3.8Å; F77-L498 HydrophobicContact CD1-CG 4.11Å; F77-L498 HydrophobicContact CD2-CD1 4.36Å; F77-L498 HydrophobicContact CD2-CG 4.42Å; F77-L498 HydrophobicContact CE1-CD2 4.38Å; F77-L498 HydrophobicContact CG-CD1 4.26Å; F77-L498 HydrophobicContact CG-CD2 4.09Å; F77-L498 HydrophobicContact CG-CG 3.86Å; F77-C499 CarbonylContact C-O 3.6Å; F77-C499 WeakPolarHBondContact CA-O 3.27Å; F77-C499 WeakPolarHBondContact CB-O 3.41Å; F77-C499 PolarHBondContact O-N 3.23Å; F77-I500 HydrophobicContact CD1-CD1 4.14Å; F77-I500 HydrophobicContact CE1-CD1 3.96Å; F77-T505 HydrophobicContact CE1-CG2 4Å; F77-A513 HydrophobicContact CD2-CB 4.44Å; F77-A513 HydrophobicContact CE2-CB 3.6Å; F77-A513 HydrophobicContact CZ-CB 4.05Å
78A95.5Very high95.9Very high0 Ų030 Ų300%014%0.139CC..SBendtrans-80.1158.5179.600000111.7F76 Y484 S486F76-A78 HydrophobicContact CE1-CB 4.09Å; F76-A78 VanDerWaalsContact CE1-O 3.29Å; F76-A78 WeakPolarHBondContact CE1-O 3.46Å; F76-A78 HydrophobicContact CE2-CB 4.33Å; F76-A78 HydrophobicContact CZ-CB 3.86Å; A78-Y484 HydrophobicContact CB-CD1 3.4Å; A78-Y484 HydrophobicContact CB-CE1 3.27Å; A78-Y484 HydrophobicContact CB-CG 4.32Å; A78-Y484 PolarHBondContact N-O 3.22Å; A78-S486 WeakPolarHBondContact CA-OG 3.44Å; A78-S486 WeakPolarHBondContact CB-OG 3.33Å
79Y94.1Very high95.9Very high113 Ų11330 Ų3044%0.44314%0.137SC..SBendtrans49.4-144176.2-48.4-70.8000112.3W71 F76 Y484 S486 R497 C499W71-Y79 AromaticContact CH2-CD2 3.33Å; W71-Y79 HydrophobicContact CH2-CD2 3.33Å; W71-Y79 AromaticContact CH2-CE2 3.94Å; W71-Y79 HydrophobicContact CH2-CE2 3.94Å; W71-Y79 AromaticContact CH2-CG 3.97Å; W71-Y79 HydrophobicContact CH2-CG 3.97Å; W71-Y79 HydrophobicContact CZ2-CD2 4.01Å; W71-Y79 HydrophobicContact CZ2-CE2 4.2Å; W71-Y79 AromaticContact CZ3-CD2 3.79Å; W71-Y79 HydrophobicContact CZ3-CD2 3.79Å; W71-Y79 HydrophobicContact CZ3-CG 4.29Å; F76-Y79 HydrophobicContact CZ-CD2 4.18Å; Y79-Y484 HydrophobicContact CE2-CE1 4.28Å; Y79-S486 PolarHBondContact N-OG 3.45Å; Y79-R497 VanDerWaalsContact C-NH1 3.34Å; Y79-R497 VanDerWaalsContact C-NH2 3.31Å; Y79-R497 PolarHBondContact O-NH1 2.96Å; Y79-R497 PolarHBondContact O-NH2 3.33Å; Y79-C499 WeakPolarHBondContact O-CB 3.42Å
80F93.8Very high96Very high14 Ų1432.4 Ų32.46%0.06115%0.146CC..SBendtrans-99.4164.9169.1-77.4-53.6000111.1T250 T251 Y279 K308 V447F80-T250 WeakPolarHBondContact CZ-O 3.44Å; F80-T251 HydrophobicContact CE2-CG2 4.32Å; F80-Y279 HydrophobicContact CB-CD2 4.27Å; F80-Y279 AromaticContact CD1-CD1 3.64Å; F80-Y279 HydrophobicContact CD1-CD1 3.64Å; F80-Y279 AromaticContact CD1-CD2 3.64Å; F80-Y279 HydrophobicContact CD1-CD2 3.64Å; F80-Y279 AromaticContact CD1-CE1 3.91Å; F80-Y279 HydrophobicContact CD1-CE1 3.91Å; F80-Y279 AromaticContact CD1-CE2 3.92Å; F80-Y279 HydrophobicContact CD1-CE2 3.92Å; F80-Y279 AromaticContact CD1-CG 3.48Å; F80-Y279 HydrophobicContact CD1-CG 3.48Å; F80-Y279 VanDerWaalsContact CD1-CG 3.48Å; F80-Y279 HydrophobicContact CD2-CG 4.28Å; F80-Y279 AromaticContact CE1-CD1 3.17Å; F80-Y279 HydrophobicContact CE1-CD1 3.17Å; F80-Y279 HydrophobicContact CE1-CD2 4.09Å; F80-Y279 AromaticContact CE1-CE1 3.55Å; F80-Y279 HydrophobicContact CE1-CE1 3.55Å; F80-Y279 HydrophobicContact CE1-CE2 4.4Å; F80-Y279 AromaticContact CE1-CG 3.47Å; F80-Y279 HydrophobicContact CE1-CG 3.47Å; F80-Y279 VanDerWaalsContact CE1-CG 3.47Å; F80-Y279 HydrophobicContact CE2-CD1 4.44Å; F80-Y279 HydrophobicContact CE2-CG 4.22Å; F80-Y279 HydrophobicContact CG-CD1 4.46Å; F80-Y279 HydrophobicContact CG-CD2 4Å; F80-Y279 AromaticContact CG-CG 3.91Å; F80-Y279 HydrophobicContact CG-CG 3.91Å; F80-Y279 AromaticContact CZ-CD1 3.64Å; F80-Y279 HydrophobicContact CZ-CD1 3.64Å; F80-Y279 HydrophobicContact CZ-CE1 4.4Å; F80-Y279 AromaticContact CZ-CG 3.85Å; F80-Y279 HydrophobicContact CZ-CG 3.85Å; F80-K308 HydrophobicContact CB-CD 4.22Å; F80-K308 HydrophobicContact CD2-CD 4.49Å; F80-V447 HydrophobicContact CD1-CG2 4.32Å; F80-V447 HydrophobicContact CE1-CG2 3.78Å
81P90.4Very high96Very high7 Ų731.9 Ų31.95%0.04514%0.144CC..  trans-57.7151172.8-18.933.8000110.6Y279 K308 M420 C499 I500 S501P81-Y279 HydrophobicContact CG-CE2 3.86Å; P81-K308 CarbonylContact C-O 3.59Å; P81-K308 VanDerWaalsContact C-O 3.22Å; P81-K308 WeakPolarHBondContact CB-O 3.49Å; P81-K308 CarbonylContact O-C 3.56Å; P81-K308 WeakPolarHBondContact O-CA 3.32Å; P81-K308 VanDerWaalsContact O-O 3.13Å; P81-M420 HydrophobicContact CG-SD 3.78Å; P81-C499 VanDerWaalsContact CD-SG 3.6Å; P81-I500 WeakPolarHBondContact CG-O 2.94Å; P81-S501 WeakPolarHBondContact CB-O 3.33Å
82T92Very high96.1Very high29 Ų2928.4 Ų28.418%0.17813%0.132CC..  trans-116.5120.3164.1163.90000107.3W71 H72 H307 K308W71-T82 HydrophobicContact CB-CG2 3.45Å; W71-T82 VanDerWaalsContact CB-CG2 3.45Å; W71-T82 HydrophobicContact CD2-CG2 4.07Å; W71-T82 HydrophobicContact CE3-CG2 3.68Å; W71-T82 HydrophobicContact CG-CG2 4.03Å; H72-T82 PolarHBondContact CE1-O 2.87Å; H72-T82 PolarHBondContact ND1-O 3.29Å; T82-H307 CarbonylContact C-O 3.5Å; T82-H307 WeakPolarHBondContact CA-O 3.04Å; T82-K308 CarbonylContact C-O 3.58Å; T82-K308 PolarHBondContact N-O 3.4Å
83G92.1Very high96.1Very high5 Ų530.9 Ų30.95%0.05215%0.146CC..  trans-67.3143.9177.400000109.1H307 K308 I312 N313G83-H307 PolarHBondContact N-O 3.4Å; G83-K308 PolarHBondContact N-O 3.12Å; G83-I312 CarbonylContact C-O 3.56Å; G83-I312 WeakPolarHBondContact CA-O 3.33Å; G83-I312 CarbonylContact O-C 3.54Å; G83-N313 WeakPolarHBondContact O-CA 3.46Å
84N95.2Very high96.2Very high27 Ų2734.2 Ų34.214%0.14416%0.163CC..  trans-161.9149.2167.6-160.4-4.2000108.6W21 H72 I89 M311 N313W21-N84 HydrophobicContact CH2-CB 3.98Å; W21-N84 HydrophobicContact CZ2-CB 3.78Å; W21-N84 WeakPolarHBondContact CZ2-ND2 3.4Å; H72-N84 WeakPolarHBondContact CE1-CB 3.37Å; H72-N84 WeakPolarHBondContact NE2-CB 3.27Å; H72-N84 PolarHBondContact NE2-ND2 2.9Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.35Å; N84-M311 CarbonylContact C-O 3.52Å; N84-N313 WeakPolarHBondContact OD1-CB 3.43Å
85S96.6Very high96.1Very high11 Ų1134.3 Ų34.38%0.07716%0.164CC..  trans-162.4154.8176.666.60000110.6A88 I89 M311S85-A88 WeakPolarHBondContact O-CB 3.27Å; S85-A88 PolarHBondContact O-N 3.43Å; S85-A88 VanDerWaalsContact O-N 3.1Å; S85-A88 WeakPolarHBondContact OG-CB 3.43Å; S85-A88 PolarHBondContact OG-N 2.89Å; S85-I89 WeakPolarHBondContact O-CG1 3.46Å; S85-I89 PolarHBondContact O-N 3.42Å; S85-M311 VanDerWaalsContact CB-O 3.25Å; S85-M311 WeakPolarHBondContact CB-O 3.18Å; S85-M311 PolarHBondContact N-O 2.96Å; S85-M311 PolarHBondContact OG-O 3.27Å
86Y97.1Very high96.1Very high116 Ų11634.7 Ų34.746%0.45518%0.176SC..Hα-helixtrans-56.3-42.4177.1-57-54.1000113.2W21 A88 I89 M90W21-Y86 WeakPolarHBondContact CB-OH 3.4Å; W21-Y86 HydrophobicContact CG-CE1 4.43Å; Y86-A88 VanDerWaalsContact C-N 3.34Å; Y86-A88 PolarHBondContact O-N 3.46Å; Y86-I89 HydrophobicContact CD1-CD1 4.38Å; Y86-I89 PolarHBondContact O-N 3.48Å; Y86-M90 VanDerWaalsContact O-CG 3.26Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.27Å
87P98.1Very high96Very high21 Ų2137.9 Ų37.914%0.13621%0.21CC..Hα-helixtrans-59.3-40.5174-26.837000113.7M90 G91 F403 A407 F408P87-M90 PolarHBondContact O-N 2.9Å; P87-G91 PolarHBondContact O-N 3.01Å; P87-F403 HydrophobicContact CB-CB 4.23Å; P87-F403 VanDerWaalsContact O-CB 3.26Å; P87-F403 WeakPolarHBondContact O-CB 3.46Å; P87-A407 HydrophobicContact CB-CB 3.76Å; P87-A407 HydrophobicContact CG-CB 3.52Å; P87-F408 HydrophobicContact CG-CE1 4.32Å; P87-F408 HydrophobicContact CG-CE2 3.8Å; P87-F408 HydrophobicContact CG-CZ 3.69Å
88A98Very high96Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-64.9-44177.600000111.5S85 Y86 M90 G91 D92 N313 K400 T404S85-A88 WeakPolarHBondContact O-CB 3.27Å; S85-A88 PolarHBondContact O-N 3.43Å; S85-A88 VanDerWaalsContact O-N 3.1Å; S85-A88 WeakPolarHBondContact OG-CB 3.43Å; S85-A88 PolarHBondContact OG-N 2.89Å; Y86-A88 VanDerWaalsContact C-N 3.34Å; Y86-A88 PolarHBondContact O-N 3.46Å; A88-M90 VanDerWaalsContact C-N 3.33Å; A88-M90 PolarHBondContact O-N 2.84Å; A88-G91 WeakPolarHBondContact O-CA 3.25Å; A88-G91 PolarHBondContact O-N 3.37Å; A88-G91 VanDerWaalsContact O-N 3.12Å; A88-D92 PolarHBondContact O-N 3.08Å; A88-N313 HydrophobicContact CB-CB 4.41Å; A88-N313 WeakPolarHBondContact CB-OD1 3.02Å; A88-N313 PolarHBondContact O-OD1 3.44Å; A88-K400 HydrophobicContact CB-CB 4.16Å; A88-K400 WeakPolarHBondContact O-CB 3.45Å; A88-T404 WeakPolarHBondContact CB-OG1 3.11Å
89I97.6Very high95.9Very high41 Ų4144.5 Ų44.521%0.2126%0.258CS..Hα-helixtrans-59-44.4174-63.8169.6000110.7I17 N84 S85 Y86 G91 D92 I93I17-I89 HydrophobicContact CG2-CD1 4.42Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.35Å; S85-I89 WeakPolarHBondContact O-CG1 3.46Å; S85-I89 PolarHBondContact O-N 3.42Å; Y86-I89 HydrophobicContact CD1-CD1 4.38Å; Y86-I89 PolarHBondContact O-N 3.48Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 2.98Å; I89-D92 PolarHBondContact O-N 2.96Å; I89-D92 VanDerWaalsContact O-N 3.12Å; I89-I93 HydrophobicContact CG2-CD1 4.07Å; I89-I93 HydrophobicContact CG2-CG1 4.46Å; I89-I93 WeakPolarHBondContact O-CG1 3.39Å; I89-I93 PolarHBondContact O-N 3.25Å
90M97.9Very high95.8Very high95 Ų9540.8 Ų40.847%0.46825%0.25SS..Hα-helixtrans-62.7-36.1176.5-68.8-60.7-66.300112.3Y86 P87 A88 D92 I93 L94 F403Y86-M90 VanDerWaalsContact O-CG 3.26Å; Y86-M90 WeakPolarHBondContact O-CG 3.47Å; Y86-M90 PolarHBondContact O-N 3.27Å; P87-M90 PolarHBondContact O-N 2.9Å; A88-M90 VanDerWaalsContact C-N 3.33Å; A88-M90 PolarHBondContact O-N 2.84Å; M90-D92 VanDerWaalsContact C-N 3.34Å; M90-I93 PolarHBondContact O-N 2.63Å; M90-I93 HydrophobicContact SD-CD1 3.86Å; M90-L94 PolarHBondContact O-N 2.9Å; M90-F403 HydrophobicContact CB-CD1 4.01Å; M90-F403 HydrophobicContact CB-CE1 4.13Å
91G97.8Very high95.6Very high0 Ų044.7 Ų44.70%027%0.271CS..Hα-helixtrans-61-42.2171.800000112.3P87 A88 I89 L94 S95P87-G91 PolarHBondContact O-N 3.01Å; A88-G91 WeakPolarHBondContact O-CA 3.25Å; A88-G91 PolarHBondContact O-N 3.37Å; A88-G91 VanDerWaalsContact O-N 3.12Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 2.98Å; G91-L94 PolarHBondContact O-N 2.71Å; G91-S95 WeakPolarHBondContact O-CB 3.47Å; G91-S95 PolarHBondContact O-N 3.49Å
92D97.2Very high95.3Very high25 Ų2544.4 Ų44.413%0.13427%0.269CS..Hα-helixtrans-72.9-31.9176.7-88.18000113.3A88 I89 M90 S95 S96 N313 K400A88-D92 PolarHBondContact O-N 3.08Å; I89-D92 PolarHBondContact O-N 2.96Å; I89-D92 VanDerWaalsContact O-N 3.12Å; M90-D92 VanDerWaalsContact C-N 3.34Å; D92-S95 PolarHBondContact O-N 2.89Å; D92-S96 WeakPolarHBondContact O-CB 3.44Å; D92-S96 PolarHBondContact O-N 2.8Å; D92-S96 PolarHBondContact O-OG 3.4Å; D92-N313 PolarHBondContact OD2-ND2 3.34Å; D92-K400 WeakPolarHBondContact OD1-CD 3.29Å; D92-K400 IonicContact OD1-NZ 2.66Å; D92-K400 IonicContact OD2-NZ 3.63Å
93I97.3Very high94.7Very high75 Ų7545.6 Ų45.639%0.38527%0.272SS..Hα-helixtrans-60.5-48.4170-70.4167.6000109.6I89 M90 S96 G97I89-I93 HydrophobicContact CG2-CD1 4.07Å; I89-I93 HydrophobicContact CG2-CG1 4.46Å; I89-I93 WeakPolarHBondContact O-CG1 3.39Å; I89-I93 PolarHBondContact O-N 3.25Å; M90-I93 PolarHBondContact O-N 2.63Å; M90-I93 HydrophobicContact SD-CD1 3.86Å; I93-S96 PolarHBondContact O-N 3.47Å; I93-G97 PolarHBondContact O-N 3.49Å
94L97.8Very high93.9Very high73 Ų7345.5 Ų45.538%0.38227%0.271SS..Hα-helixtrans-64.5-44.5177.9179.260.3000111.8M90 G91 S96 G97 I98 L399 F403M90-L94 PolarHBondContact O-N 2.9Å; G91-L94 PolarHBondContact O-N 2.71Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.07Å; L94-G97 PolarHBondContact O-N 3.17Å; L94-I98 HydrophobicContact CD1-CD1 3.99Å; L94-I98 HydrophobicContact CD1-CG1 4.12Å; L94-I98 HydrophobicContact CG-CD1 4.02Å; L94-I98 WeakPolarHBondContact O-CG1 3.19Å; L94-I98 PolarHBondContact O-N 3.46Å; L94-L399 HydrophobicContact CB-CD1 4.14Å; L94-L399 HydrophobicContact CD2-CD1 3.94Å; L94-L399 HydrophobicContact CD2-CD2 4.06Å; L94-L399 HydrophobicContact CG-CD1 3.85Å; L94-F403 HydrophobicContact CD2-CE2 4.03Å; L94-F403 HydrophobicContact CD2-CZ 3.8Å
95S97.3Very high93.2Very high5 Ų546.5 Ų46.54%0.03527%0.272CS..Hα-helixtrans-55.1-44.7175.6-171.30000111.6G91 D92 G99 F396G91-S95 WeakPolarHBondContact O-CB 3.47Å; G91-S95 PolarHBondContact O-N 3.49Å; D92-S95 PolarHBondContact O-N 2.89Å; S95-G99 PolarHBondContact O-N 3.14Å; S95-F396 WeakPolarHBondContact OG-CB 3.26Å; S95-F396 PolarHBondContact OG-N 3.31Å; S95-F396 PolarHBondContact OG-O 3.44Å
96S96.7Very high92.6Very high71 Ų7148.1 Ų48.150%0.49729%0.287SS..Hα-helixtrans-73.8-34.1-180-50.70000112.4D92 I93 L94 G99 R395D92-S96 WeakPolarHBondContact O-CB 3.44Å; D92-S96 PolarHBondContact O-N 2.8Å; D92-S96 PolarHBondContact O-OG 3.4Å; I93-S96 PolarHBondContact O-N 3.47Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.07Å; S96-G99 PolarHBondContact O-N 2.77Å; S96-R395 PolarHBondContact OG-NH2 3.13Å
97G96.5Very high92Very high68 Ų6844.3 Ų44.370%0.70128%0.277SS*.Hα-helixtrans-70.8-35177.200000113.9I93 L94I93-G97 PolarHBondContact O-N 3.49Å; L94-G97 PolarHBondContact O-N 3.17Å
98I96.9Very high91.6Very high82 Ų8244.1 Ų44.142%0.42128%0.276SS..Hα-helixtrans-68.4-42.6172.3-65.7167.3000110.1L94 A100 Y111 F396L94-I98 HydrophobicContact CD1-CD1 3.99Å; L94-I98 HydrophobicContact CD1-CG1 4.12Å; L94-I98 HydrophobicContact CG-CD1 4.02Å; L94-I98 WeakPolarHBondContact O-CG1 3.19Å; L94-I98 PolarHBondContact O-N 3.46Å; I98-A100 HydrophobicContact CG2-CB 3.95Å; I98-A100 PolarHBondContact O-N 3.35Å; I98-Y111 HydrophobicContact CG2-CE2 4.18Å; I98-Y111 WeakPolarHBondContact CG2-OH 2.92Å; I98-F396 HydrophobicContact CD1-CD1 4.08Å; I98-F396 HydrophobicContact CD1-CE1 4.28Å
99G93.7Very high91.2Very high57 Ų5746.5 Ų46.559%0.58829%0.292SS*.  trans64.810.417300000115.6S95 S96S95-G99 PolarHBondContact O-N 3.14Å; S96-G99 PolarHBondContact O-N 2.77Å
100A91.7Very high91.1Very high35 Ų3547.4 Ų47.429%0.28931%0.305SS..  trans-80.8160.7178.800000112.1I98 S108 Y111I98-A100 HydrophobicContact CG2-CB 3.95Å; I98-A100 PolarHBondContact O-N 3.35Å; A100-S108 WeakPolarHBondContact CB-OG 3.3Å; A100-Y111 WeakPolarHBondContact CA-OH 3.29Å; A100-Y111 HydrophobicContact CB-CE1 4.4Å; A100-Y111 HydrophobicContact CB-CE2 4.38Å; A100-Y111 WeakPolarHBondContact CB-OH 3.48Å; A100-Y111 PolarHBondContact N-OH 3.21Å; A100-Y111 WeakPolarHBondContact O-CE1 3.35Å; A100-Y111 PolarHBondContact O-OH 2.88Å
101I89.2Confident90.8Very high96 Ų9643.4 Ų43.449%0.49229%0.285SS..  trans-111.3111.9-178-51.4176.8000109.1F103 S107I101-F103 VanDerWaalsContact C-N 3.29Å; I101-F103 HydrophobicContact CB-CD1 4.09Å; I101-F103 HydrophobicContact CB-CE1 4.4Å; I101-F103 HydrophobicContact CG2-CD1 3.7Å; I101-F103 HydrophobicContact CG2-CE1 4.45Å; I101-F103 PolarHBondContact O-N 2.96Å; I101-F103 VanDerWaalsContact O-N 3.09Å; I101-S107 WeakPolarHBondContact O-CB 3.5Å; I101-S107 PolarHBondContact O-OG 3.12Å
102G84.6Confident90.2Very high1 Ų143.4 Ų43.41%0.0129%0.285CS..  trans-85.955-178.600000113.6S104 R394G102-S104 VanDerWaalsContact C-N 3.28Å; G102-R394 PolarHBondContact N-O 2.64Å; G102-R394 WeakPolarHBondContact O-CB 3.42Å; G102-R394 VanDerWaalsContact O-CD 3.31Å; G102-R394 WeakPolarHBondContact O-CD 3.37Å
103F80.1Confident89.8Confident53 Ų5346.4 Ų46.423%0.23230%0.298CS..SBendtrans-77-17.3174.657.5-104.7000112.4I101 S107 L357 R369 L392I101-F103 VanDerWaalsContact C-N 3.29Å; I101-F103 HydrophobicContact CB-CD1 4.09Å; I101-F103 HydrophobicContact CB-CE1 4.4Å; I101-F103 HydrophobicContact CG2-CD1 3.7Å; I101-F103 HydrophobicContact CG2-CE1 4.45Å; I101-F103 PolarHBondContact O-N 2.96Å; I101-F103 VanDerWaalsContact O-N 3.09Å; F103-S107 VanDerWaalsContact CE2-CB 3.49Å; F103-S107 VanDerWaalsContact CZ-CB 3.4Å; F103-S107 PolarHBondContact N-OG 2.88Å; F103-L357 HydrophobicContact CD2-CD2 3.66Å; F103-L357 HydrophobicContact CE2-CD2 3.36Å; F103-L357 HydrophobicContact CG-CD2 4.45Å; F103-L357 HydrophobicContact CZ-CD2 3.91Å; F103-R369 WeakPolarHBondContact O-CD 3.46Å; F103-R369 WeakPolarHBondContact O-CG 3.49Å; F103-R369 PolarHBondContact O-NE 3.31Å; F103-L392 WeakPolarHBondContact CA-O 3.49Å; F103-L392 HydrophobicContact CB-CD1 3.99Å; F103-L392 HydrophobicContact CB-CG 4Å; F103-L392 WeakPolarHBondContact CB-O 3.47Å
104S74.2Confident89.8Confident4 Ų444.5 Ų44.53%0.02829%0.288CS..SBendtrans-142.1161.7176.764.90000112.2G102 A106 S107 S108 D367G102-S104 VanDerWaalsContact C-N 3.28Å; S104-A106 PolarHBondContact O-N 3.23Å; S104-S107 PolarHBondContact N-OG 2.97Å; S104-S107 PolarHBondContact O-N 2.9Å; S104-S107 PolarHBondContact O-OG 3.37Å; S104-S107 VanDerWaalsContact OG-CB 3.26Å; S104-S107 WeakPolarHBondContact OG-CB 3.39Å; S104-S107 PolarHBondContact OG-N 2.78Å; S104-S107 PolarHBondContact OG-OG 2.84Å; S104-S108 PolarHBondContact O-N 3.12Å; S104-D367 VanDerWaalsContact CA-OD1 3.24Å; S104-D367 WeakPolarHBondContact CA-OD1 3.38Å; S104-D367 WeakPolarHBondContact CA-OD2 3.28Å; S104-D367 WeakPolarHBondContact CB-OD2 3.47Å
105W81.4Confident89.6Confident47 Ų4741.1 Ų41.118%0.17827%0.271CS..THydrogen-bonded Turntrans-56.8-45.2169-179.797.8000109.8S107 S108 P109 T112 E113 Y359 V365 D367W105-S107 VanDerWaalsContact C-N 3.3Å; W105-S107 PolarHBondContact O-N 3.18Å; W105-S108 CarbonylContact O-C 3.47Å; W105-S108 PolarHBondContact O-N 3.38Å; W105-P109 HydrophobicContact CD2-CB 4.18Å; W105-P109 HydrophobicContact CD2-CG 4.15Å; W105-P109 HydrophobicContact CE3-CG 4.14Å; W105-P109 HydrophobicContact CH2-CB 4.18Å; W105-P109 HydrophobicContact CH2-CG 3.84Å; W105-P109 HydrophobicContact CZ2-CB 3.71Å; W105-P109 HydrophobicContact CZ2-CG 3.91Å; W105-P109 HydrophobicContact CZ3-CG 3.94Å; W105-P109 VanDerWaalsContact O-CA 3.25Å; W105-P109 WeakPolarHBondContact O-CA 3.45Å; W105-P109 WeakPolarHBondContact O-CD 3.04Å; W105-P109 VanDerWaalsContact O-CG 3.31Å; W105-P109 WeakPolarHBondContact O-CG 3.21Å; W105-T112 HydrophobicContact CB-CG2 4.49Å; W105-E113 PolarHBondContact NE1-OE1 3.34Å; W105-Y359 HydrophobicContact CB-CE2 4.45Å; W105-Y359 HydrophobicContact CE3-CE2 4.12Å; W105-V365 HydrophobicContact CG-CB 4.43Å; W105-D367 PolarHBondContact N-OD2 2.95Å
106A83.8Confident89.2Confident46 Ų4641 Ų4138%0.3827%0.27SS..THydrogen-bonded Turntrans-64.9-29.8179.700000114S104 S108 Y359S104-A106 PolarHBondContact O-N 3.23Å; A106-S108 VanDerWaalsContact C-N 3.31Å; A106-S108 PolarHBondContact O-N 3.35Å; A106-Y359 HydrophobicContact CB-CD1 3.74Å; A106-Y359 HydrophobicContact CB-CD2 3.5Å; A106-Y359 HydrophobicContact CB-CE1 4.16Å; A106-Y359 HydrophobicContact CB-CE2 3.93Å; A106-Y359 HydrophobicContact CB-CG 3.4Å; A106-Y359 VanDerWaalsContact CB-CG 3.4Å
107S85.4Confident89.1Confident36 Ų3639.8 Ų39.825%0.25226%0.264SS..THydrogen-bonded Turntrans-73.2-26.1-179.773.40000112.6I101 F103 S104 W105I101-S107 WeakPolarHBondContact O-CB 3.5Å; I101-S107 PolarHBondContact O-OG 3.12Å; F103-S107 VanDerWaalsContact CE2-CB 3.49Å; F103-S107 VanDerWaalsContact CZ-CB 3.4Å; F103-S107 PolarHBondContact N-OG 2.88Å; S104-S107 PolarHBondContact N-OG 2.97Å; S104-S107 PolarHBondContact O-N 2.9Å; S104-S107 PolarHBondContact O-OG 3.37Å; S104-S107 VanDerWaalsContact OG-CB 3.26Å; S104-S107 WeakPolarHBondContact OG-CB 3.39Å; S104-S107 PolarHBondContact OG-N 2.78Å; S104-S107 PolarHBondContact OG-OG 2.84Å; W105-S107 VanDerWaalsContact C-N 3.3Å; W105-S107 PolarHBondContact O-N 3.18Å
108S88.9Confident89.1Confident17 Ų1736.6 Ų36.612%0.11923%0.231CC..  trans-166.490.9170-76.50000110.7A100 S104 W105 A106 A110 Y111A100-S108 WeakPolarHBondContact CB-OG 3.3Å; S104-S108 PolarHBondContact O-N 3.12Å; W105-S108 CarbonylContact O-C 3.47Å; W105-S108 PolarHBondContact O-N 3.38Å; A106-S108 VanDerWaalsContact C-N 3.31Å; A106-S108 PolarHBondContact O-N 3.35Å; S108-A110 PolarHBondContact O-N 2.88Å; S108-A110 VanDerWaalsContact O-N 3.16Å; S108-Y111 VanDerWaalsContact CB-CD2 3.42Å; S108-Y111 VanDerWaalsContact CB-CG 3.49Å; S108-Y111 WeakPolarHBondContact O-CB 3.4Å; S108-Y111 PolarHBondContact O-N 2.75Å
109P89.7Confident89Confident50 Ų5032.7 Ų32.733%0.32521%0.211SC..Hα-helixtrans-54.8-40.9-176.8-31.436.9000113.1W105 Y111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.18Å; W105-P109 HydrophobicContact CD2-CG 4.15Å; W105-P109 HydrophobicContact CE3-CG 4.14Å; W105-P109 HydrophobicContact CH2-CB 4.18Å; W105-P109 HydrophobicContact CH2-CG 3.84Å; W105-P109 HydrophobicContact CZ2-CB 3.71Å; W105-P109 HydrophobicContact CZ2-CG 3.91Å; W105-P109 HydrophobicContact CZ3-CG 3.94Å; W105-P109 VanDerWaalsContact O-CA 3.25Å; W105-P109 WeakPolarHBondContact O-CA 3.45Å; W105-P109 WeakPolarHBondContact O-CD 3.04Å; W105-P109 VanDerWaalsContact O-CG 3.31Å; W105-P109 WeakPolarHBondContact O-CG 3.21Å; P109-Y111 PolarHBondContact O-N 2.82Å; P109-T112 PolarHBondContact O-N 3.27Å; P109-E113 WeakPolarHBondContact O-CB 3.23Å; P109-E113 WeakPolarHBondContact O-CG 2.73Å; P109-E113 PolarHBondContact O-N 2.8Å
110A94.2Very high89.1Confident59 Ų5930.4 Ų30.449%0.48819%0.185SC..Hα-helixtrans-60-29.5177.800000113.6S108 L114 F396S108-A110 PolarHBondContact O-N 2.88Å; S108-A110 VanDerWaalsContact O-N 3.16Å; A110-L114 WeakPolarHBondContact O-CB 2.79Å; A110-L114 PolarHBondContact O-N 2.87Å; A110-F396 HydrophobicContact CB-CE1 4.4Å; A110-F396 HydrophobicContact CB-CZ 4.14Å; A110-F396 VanDerWaalsContact O-CE2 3.32Å; A110-F396 WeakPolarHBondContact O-CE2 3.49Å; A110-F396 VanDerWaalsContact O-CZ 3.25Å; A110-F396 WeakPolarHBondContact O-CZ 3.25Å
111Y92.6Very high89.4Confident12 Ų1233.4 Ų33.45%0.04719%0.189CC..Hα-helixtrans-67.7-48.2179.7-74.7-149.1000110I98 A100 S108 P109 E115 F396I98-Y111 HydrophobicContact CG2-CE2 4.18Å; I98-Y111 WeakPolarHBondContact CG2-OH 2.92Å; A100-Y111 WeakPolarHBondContact CA-OH 3.29Å; A100-Y111 HydrophobicContact CB-CE1 4.4Å; A100-Y111 HydrophobicContact CB-CE2 4.38Å; A100-Y111 WeakPolarHBondContact CB-OH 3.48Å; A100-Y111 PolarHBondContact N-OH 3.21Å; A100-Y111 WeakPolarHBondContact O-CE1 3.35Å; A100-Y111 PolarHBondContact O-OH 2.88Å; S108-Y111 VanDerWaalsContact CB-CD2 3.42Å; S108-Y111 VanDerWaalsContact CB-CG 3.49Å; S108-Y111 WeakPolarHBondContact O-CB 3.4Å; S108-Y111 PolarHBondContact O-N 2.75Å; P109-Y111 PolarHBondContact O-N 2.82Å; Y111-E115 VanDerWaalsContact O-CB 3.3Å; Y111-E115 WeakPolarHBondContact O-CB 3.17Å; Y111-E115 PolarHBondContact O-N 2.92Å; Y111-F396 HydrophobicContact CD1-CB 3.91Å; Y111-F396 HydrophobicContact CD1-CG 4.18Å; Y111-F396 HydrophobicContact CD2-CB 3.99Å; Y111-F396 AromaticContact CD2-CD1 3.31Å; Y111-F396 HydrophobicContact CD2-CD1 3.31Å; Y111-F396 AromaticContact CD2-CD2 3.89Å; Y111-F396 HydrophobicContact CD2-CD2 3.89Å; Y111-F396 AromaticContact CD2-CE1 3.63Å; Y111-F396 HydrophobicContact CD2-CE1 3.63Å; Y111-F396 HydrophobicContact CD2-CE2 4.15Å; Y111-F396 AromaticContact CD2-CG 3.46Å; Y111-F396 HydrophobicContact CD2-CG 3.46Å; Y111-F396 VanDerWaalsContact CD2-CG 3.46Å; Y111-F396 HydrophobicContact CD2-CZ 4.04Å; Y111-F396 HydrophobicContact CE1-CB 3.7Å; Y111-F396 HydrophobicContact CE1-CG 4.27Å; Y111-F396 HydrophobicContact CE2-CB 3.78Å; Y111-F396 AromaticContact CE2-CD1 3.16Å; Y111-F396 HydrophobicContact CE2-CD1 3.16Å; Y111-F396 HydrophobicContact CE2-CD2 4.44Å; Y111-F396 AromaticContact CE2-CE1 3.78Å; Y111-F396 HydrophobicContact CE2-CE1 3.78Å; Y111-F396 AromaticContact CE2-CG 3.57Å; Y111-F396 HydrophobicContact CE2-CG 3.57Å; Y111-F396 HydrophobicContact CG-CB 4.07Å; Y111-F396 HydrophobicContact CG-CD1 4.14Å; Y111-F396 AromaticContact CG-CD2 3.97Å; Y111-F396 HydrophobicContact CG-CD2 3.97Å; Y111-F396 HydrophobicContact CG-CE2 4.43Å; Y111-F396 AromaticContact CG-CG 3.8Å; Y111-F396 HydrophobicContact CG-CG 3.8Å; Y111-F396 AromaticContact CZ-CD1 3.89Å; Y111-F396 AromaticContact CZ-CG 3.98Å
112T84.5Confident89.7Confident0 Ų028.8 Ų28.80%017%0.165CC..Hα-helixtrans-69.4-56-179.8-66.40000112W105 P109 L114 E115 L116 V365 P366 L368W105-T112 HydrophobicContact CB-CG2 4.49Å; P109-T112 PolarHBondContact O-N 3.27Å; T112-L114 VanDerWaalsContact C-N 3.34Å; T112-L114 PolarHBondContact O-N 3.44Å; T112-E115 PolarHBondContact O-N 3.47Å; T112-E115 VanDerWaalsContact O-N 3.11Å; T112-L116 HydrophobicContact CG2-CD1 3.91Å; T112-L116 WeakPolarHBondContact O-CG 3.2Å; T112-L116 PolarHBondContact O-N 2.86Å; T112-V365 HydrophobicContact CG2-CG1 4.03Å; T112-P366 WeakPolarHBondContact CG2-O 3.36Å; T112-L368 HydrophobicContact CG2-CG 4.46Å
113E90.1Very high90.3Very high88 Ų8828.8 Ų28.841%0.41117%0.165SC..Hα-helixtrans-59.7-44.1-174.3-64.4-80.2179.600111.7W105 P109 L116 A117W105-E113 PolarHBondContact NE1-OE1 3.34Å; P109-E113 WeakPolarHBondContact O-CB 3.23Å; P109-E113 WeakPolarHBondContact O-CG 2.73Å; P109-E113 PolarHBondContact O-N 2.8Å; E113-L116 PolarHBondContact O-N 3.44Å; E113-A117 WeakPolarHBondContact O-CB 2.98Å; E113-A117 PolarHBondContact O-N 3.42Å; E113-A117 VanDerWaalsContact O-N 3.09Å
114L96Very high91.1Very high34 Ų3431.4 Ų31.418%0.17818%0.176CC..Hα-helixtrans-68.4-36.9178.6-17464.3000111.7A110 T112 V118 F396 L399 W402A110-L114 WeakPolarHBondContact O-CB 2.79Å; A110-L114 PolarHBondContact O-N 2.87Å; T112-L114 VanDerWaalsContact C-N 3.34Å; T112-L114 PolarHBondContact O-N 3.44Å; L114-V118 HydrophobicContact CD1-CG2 3.96Å; L114-V118 HydrophobicContact CG-CG2 4.12Å; L114-V118 VanDerWaalsContact O-CB 3.24Å; L114-V118 WeakPolarHBondContact O-CB 3.07Å; L114-V118 WeakPolarHBondContact O-CG2 3.15Å; L114-V118 PolarHBondContact O-N 3.25Å; L114-F396 HydrophobicContact CB-CE2 3.94Å; L114-F396 HydrophobicContact CB-CZ 4.23Å; L114-F396 HydrophobicContact CD2-CE2 3.58Å; L114-F396 HydrophobicContact CD2-CZ 3.65Å; L114-F396 HydrophobicContact CG-CE2 4.28Å; L114-L399 HydrophobicContact CD2-CD2 3.81Å; L114-L399 HydrophobicContact CD2-CG 4.44Å; L114-W402 HydrophobicContact CD1-CB 4.41Å; L114-W402 HydrophobicContact CD1-CD2 4.3Å; L114-W402 HydrophobicContact CD1-CG 3.88Å; L114-W402 HydrophobicContact CD2-CB 4.25Å; L114-W402 HydrophobicContact CD2-CG 4.27Å; L114-W402 HydrophobicContact CG-CG 4.49Å
115E94Very high92.2Very high3 Ų332.7 Ų32.71%0.01418%0.182CC..Hα-helixtrans-63-46.8177.1-173.8167.8136.200111.6Y111 T112 A117 V118 M119 V143 I144 R394 S398Y111-E115 VanDerWaalsContact O-CB 3.3Å; Y111-E115 WeakPolarHBondContact O-CB 3.17Å; Y111-E115 PolarHBondContact O-N 2.92Å; T112-E115 PolarHBondContact O-N 3.47Å; T112-E115 VanDerWaalsContact O-N 3.11Å; E115-A117 PolarHBondContact O-N 2.85Å; E115-V118 PolarHBondContact O-N 3.43Å; E115-M119 HydrophobicContact CG-CG 4.15Å; E115-M119 VanDerWaalsContact O-CB 3.31Å; E115-M119 WeakPolarHBondContact O-CB 3.43Å; E115-M119 WeakPolarHBondContact O-CG 3.5Å; E115-M119 PolarHBondContact O-N 2.81Å; E115-V143 WeakPolarHBondContact OE1-CA 3.5Å; E115-V143 VanDerWaalsContact OE1-CG2 3.31Å; E115-V143 WeakPolarHBondContact OE1-CG2 3.41Å; E115-I144 HydrophobicContact CG-CD1 3.73Å; E115-I144 HydrophobicContact CG-CG1 3.9Å; E115-I144 PolarHBondContact OE1-N 3.36Å; E115-R394 IonicContact OE1-CZ 3.12Å; E115-R394 IonicContact OE1-NH2 2.76Å; E115-R394 PolarHBondContact OE1-NH2 2.76Å; E115-R394 IonicContact OE2-CZ 2.77Å; E115-R394 IonicContact OE2-NH2 3.49Å; E115-R394 PolarHBondContact OE2-NH2 3.4Å; E115-S398 VanDerWaalsContact CA-CB 3.47Å; E115-S398 PolarHBondContact N-OG 3.49Å
116L88.9Confident92.9Very high3 Ų330.4 Ų30.42%0.01617%0.174CC..Hα-helixtrans-60.2-48.1177.6-63.9166.7000111.7T112 E113 V118 M119 D120 Y134 V365 P366T112-L116 HydrophobicContact CG2-CD1 3.91Å; T112-L116 WeakPolarHBondContact O-CG 3.2Å; T112-L116 PolarHBondContact O-N 2.86Å; E113-L116 PolarHBondContact O-N 3.44Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 3.15Å; L116-M119 PolarHBondContact O-N 2.88Å; L116-D120 PolarHBondContact O-N 3.4Å; L116-Y134 HydrophobicContact CB-CD1 4.12Å; L116-Y134 HydrophobicContact CD1-CD1 4.43Å; L116-Y134 HydrophobicContact CD1-CE1 4.21Å; L116-Y134 HydrophobicContact CD2-CG 4.27Å; L116-V365 HydrophobicContact CD1-CG1 4.06Å; L116-P366 HydrophobicContact CD1-CB 4.35Å; L116-P366 VanDerWaalsContact CD1-CD 3.42Å; L116-P366 HydrophobicContact CD1-CG 3.57Å; L116-P366 HydrophobicContact CD2-CB 4.27Å; L116-P366 HydrophobicContact CD2-CG 3.75Å; L116-P366 HydrophobicContact CG-CG 4.3Å
117A94.5Very high93.6Very high45 Ų4529.7 Ų29.737%0.37217%0.171SC..Hα-helixtrans-61.3-42.1178.900000112.5E113 E115 D120 W121E113-A117 WeakPolarHBondContact O-CB 2.98Å; E113-A117 PolarHBondContact O-N 3.42Å; E113-A117 VanDerWaalsContact O-N 3.09Å; E115-A117 PolarHBondContact O-N 2.85Å; A117-D120 PolarHBondContact O-N 3.48Å; A117-W121 PolarHBondContact O-N 2.89Å
118V97.2Very high94Very high1 Ų128.5 Ų28.51%0.00616%0.162CC..Hα-helixtrans-73.9-33.7-179.4169.20000111.9L114 E115 L116 D120 W121 L122 L401 W402 I405L114-V118 HydrophobicContact CD1-CG2 3.96Å; L114-V118 HydrophobicContact CG-CG2 4.12Å; L114-V118 VanDerWaalsContact O-CB 3.24Å; L114-V118 WeakPolarHBondContact O-CB 3.07Å; L114-V118 WeakPolarHBondContact O-CG2 3.15Å; L114-V118 PolarHBondContact O-N 3.25Å; E115-V118 PolarHBondContact O-N 3.43Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 3.15Å; V118-D120 VanDerWaalsContact C-N 3.34Å; V118-W121 WeakPolarHBondContact O-CB 3.24Å; V118-W121 PolarHBondContact O-N 2.79Å; V118-L122 VanDerWaalsContact O-CB 3.28Å; V118-L122 WeakPolarHBondContact O-CB 3.48Å; V118-L122 PolarHBondContact O-N 2.96Å; V118-L401 HydrophobicContact CG1-CB 3.55Å; V118-L401 HydrophobicContact CG1-CD1 4.13Å; V118-L401 HydrophobicContact CG1-CG 4.32Å; V118-W402 HydrophobicContact CG2-CB 3.89Å; V118-W402 HydrophobicContact CG2-CG 4.21Å; V118-I405 HydrophobicContact CG1-CD1 4.47Å
119M95Very high94.1Very high0 Ų029.2 Ų29.20%017%0.166CC..Hα-helixtrans-67.1-36.9174.1-74.3-58.4-67.800111.4E115 L116 L122 A123 I144 A318 W320E115-M119 HydrophobicContact CG-CG 4.15Å; E115-M119 VanDerWaalsContact O-CB 3.31Å; E115-M119 WeakPolarHBondContact O-CB 3.43Å; E115-M119 WeakPolarHBondContact O-CG 3.5Å; E115-M119 PolarHBondContact O-N 2.81Å; L116-M119 PolarHBondContact O-N 2.88Å; M119-L122 PolarHBondContact O-N 3.45Å; M119-L122 HydrophobicContact SD-CD2 4.31Å; M119-A123 WeakPolarHBondContact O-CB 3.26Å; M119-A123 PolarHBondContact O-N 2.96Å; M119-I144 HydrophobicContact CG-CG1 4.25Å; M119-I144 HydrophobicContact SD-CG1 3.68Å; M119-A318 HydrophobicContact CE-CB 3.86Å; M119-A318 HydrophobicContact SD-CB 4.17Å; M119-W320 HydrophobicContact CE-CD2 3.78Å; M119-W320 HydrophobicContact CE-CE3 4.07Å; M119-W320 HydrophobicContact CE-CG 4.48Å; M119-W320 HydrophobicContact CE-CH2 3.67Å; M119-W320 HydrophobicContact CE-CZ2 3.34Å; M119-W320 HydrophobicContact CE-CZ3 4.01Å; M119-W320 HydrophobicContact SD-CZ2 4.28Å
120D94.6Very high94.1Very high8 Ų831.9 Ų31.94%0.04318%0.178CC..Hα-helixtrans-65.3-42.3170.2-90.220.7000112.6L116 A117 V118 L122 K124 L133 Y134 S135L116-D120 PolarHBondContact O-N 3.4Å; A117-D120 PolarHBondContact O-N 3.48Å; V118-D120 VanDerWaalsContact C-N 3.34Å; D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 3.06Å; D120-K124 WeakPolarHBondContact O-CB 3.41Å; D120-K124 VanDerWaalsContact O-CG 3.28Å; D120-K124 WeakPolarHBondContact O-CG 3.47Å; D120-K124 PolarHBondContact O-N 3.11Å; D120-L133 HydrophobicContact CB-CD2 4.17Å; D120-L133 WeakPolarHBondContact OD1-CA 3.43Å; D120-Y134 WeakPolarHBondContact OD1-CB 3.31Å; D120-Y134 PolarHBondContact OD1-N 2.75Å; D120-S135 WeakPolarHBondContact OD2-CB 3.44Å; D120-S135 PolarHBondContact OD2-N 2.85Å; D120-S135 PolarHBondContact OD2-OG 3.09Å
121W97.7Very high93.6Very high98 Ų9832.7 Ų32.737%0.37117%0.171SC..Hα-helixtrans-58.4-46.4172.9-72.89.5000110.9A117 V118 K124 L125 W402 I405 R406A117-W121 PolarHBondContact O-N 2.89Å; V118-W121 WeakPolarHBondContact O-CB 3.24Å; V118-W121 PolarHBondContact O-N 2.79Å; W121-K124 PolarHBondContact O-N 3.43Å; W121-L125 WeakPolarHBondContact O-CB 2.92Å; W121-L125 VanDerWaalsContact O-CG 3.23Å; W121-L125 WeakPolarHBondContact O-CG 3.31Å; W121-L125 PolarHBondContact O-N 3.42Å; W121-W402 AromaticContact CH2-NE1 3.92Å; W121-W402 AromaticContact CZ3-CD1 3.78Å; W121-I405 HydrophobicContact CE3-CG2 4.07Å; W121-I405 HydrophobicContact CZ3-CG2 4.37Å; W121-R406 HydrophobicContact CZ3-CG 4.18Å
122L97.4Very high93.3Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-63.5-47.8-177.4-174.259.7000110.7V118 M119 D120 K124 L125 V126 F304 P306 M310 A318 W320 L401V118-L122 VanDerWaalsContact O-CB 3.28Å; V118-L122 WeakPolarHBondContact O-CB 3.48Å; V118-L122 PolarHBondContact O-N 2.96Å; M119-L122 PolarHBondContact O-N 3.45Å; M119-L122 HydrophobicContact SD-CD2 4.31Å; D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 3.06Å; L122-K124 PolarHBondContact O-N 3.22Å; L122-L125 WeakPolarHBondContact O-CB 3.09Å; L122-L125 PolarHBondContact O-N 3.43Å; L122-L125 VanDerWaalsContact O-N 3.15Å; L122-V126 HydrophobicContact CD1-CG1 4.38Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.2Å; L122-V126 PolarHBondContact O-N 3.34Å; L122-F304 HydrophobicContact CD1-CE2 4.23Å; L122-F304 HydrophobicContact CD1-CZ 3.75Å; L122-F304 HydrophobicContact CD2-CE2 4.26Å; L122-F304 HydrophobicContact CD2-CZ 3.72Å; L122-F304 HydrophobicContact CG-CE1 4.43Å; L122-F304 HydrophobicContact CG-CE2 4.43Å; L122-F304 HydrophobicContact CG-CZ 3.62Å; L122-P306 HydrophobicContact CD2-CG 3.84Å; L122-M310 HydrophobicContact CD1-CE 3.6Å; L122-M310 HydrophobicContact CD1-SD 3.99Å; L122-A318 HydrophobicContact CD2-CB 3.57Å; L122-W320 HydrophobicContact CB-CH2 4.35Å; L122-W320 HydrophobicContact CB-CZ2 4.11Å; L122-W320 HydrophobicContact CD2-CH2 3.61Å; L122-W320 HydrophobicContact CD2-CZ2 4.11Å; L122-W320 HydrophobicContact CG-CH2 3.79Å; L122-W320 HydrophobicContact CG-CZ2 4.06Å; L122-L401 HydrophobicContact CD2-CD2 4.17Å
123A95.8Very high93.3Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-55.2-46.5174.500000112.5M119 L125 V126 G127 L128 L133 W320M119-A123 WeakPolarHBondContact O-CB 3.26Å; M119-A123 PolarHBondContact O-N 2.96Å; A123-L125 PolarHBondContact O-N 2.95Å; A123-V126 WeakPolarHBondContact O-CG2 3.16Å; A123-V126 PolarHBondContact O-N 2.94Å; A123-G127 PolarHBondContact O-N 2.98Å; A123-L128 HydrophobicContact CB-CB 4.1Å; A123-L128 HydrophobicContact CB-CD1 4.05Å; A123-L128 PolarHBondContact O-N 3.41Å; A123-L133 HydrophobicContact CB-CD2 3.39Å; A123-W320 HydrophobicContact CB-CZ2 4.01Å
124K96.7Very high92.9Very high108 Ų10832.1 Ų32.147%0.4717%0.166SC..Hα-helixtrans-62.3-41.8175.6-71.5168.4-175170.50112.5D120 W121 L122 G127 L133D120-K124 WeakPolarHBondContact O-CB 3.41Å; D120-K124 VanDerWaalsContact O-CG 3.28Å; D120-K124 WeakPolarHBondContact O-CG 3.47Å; D120-K124 PolarHBondContact O-N 3.11Å; W121-K124 PolarHBondContact O-N 3.43Å; L122-K124 PolarHBondContact O-N 3.22Å; K124-G127 PolarHBondContact O-N 3.37Å; K124-L133 VanDerWaalsContact CE-CD1 3.49Å; K124-L133 HydrophobicContact CG-CD1 4.16Å; K124-L133 HydrophobicContact CG-CD2 4.03Å
125L97.5Very high92.3Very high31 Ų3134 Ų3416%0.16218%0.182CC..Hα-helixtrans-63.5-44179-76.1173.8000111.7W121 L122 A123 G127 I285 R290 I405 A410W121-L125 WeakPolarHBondContact O-CB 2.92Å; W121-L125 VanDerWaalsContact O-CG 3.23Å; W121-L125 WeakPolarHBondContact O-CG 3.31Å; W121-L125 PolarHBondContact O-N 3.42Å; L122-L125 WeakPolarHBondContact O-CB 3.09Å; L122-L125 PolarHBondContact O-N 3.43Å; L122-L125 VanDerWaalsContact O-N 3.15Å; A123-L125 PolarHBondContact O-N 2.95Å; L125-G127 VanDerWaalsContact C-N 3.32Å; L125-I285 HydrophobicContact CB-CG1 4.3Å; L125-R290 PolarHBondContact O-NH2 3.31Å; L125-I405 HydrophobicContact CD1-CD1 4.33Å; L125-I405 HydrophobicContact CD1-CG2 4.32Å; L125-A410 HydrophobicContact CD2-CB 3.55Å
126V97.5Very high91.4Very high0 Ų035.2 Ų35.20%019%0.191CC..Hα-helixtrans-80.7-11.7-179.8-62.80000114L122 A123 L128 T284 F293 F304L122-V126 HydrophobicContact CD1-CG1 4.38Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.2Å; L122-V126 PolarHBondContact O-N 3.34Å; A123-V126 WeakPolarHBondContact O-CG2 3.16Å; A123-V126 PolarHBondContact O-N 2.94Å; V126-L128 HydrophobicContact CG2-CB 4.49Å; V126-L128 HydrophobicContact CG2-CD1 4.09Å; V126-L128 HydrophobicContact CG2-CG 3.8Å; V126-T284 VanDerWaalsContact CB-OG1 3.23Å; V126-T284 WeakPolarHBondContact CB-OG1 3.32Å; V126-T284 WeakPolarHBondContact O-CB 3.24Å; V126-T284 PolarHBondContact O-OG1 2.76Å; V126-F293 HydrophobicContact CB-CE2 4.09Å; V126-F293 HydrophobicContact CG2-CE2 4.05Å; V126-F304 HydrophobicContact CB-CE1 4.43Å; V126-F304 HydrophobicContact CB-CZ 4.46Å; V126-F304 HydrophobicContact CG1-CE1 3.97Å; V126-F304 HydrophobicContact CG1-CE2 4.27Å; V126-F304 HydrophobicContact CG1-CZ 3.54Å; V126-F304 HydrophobicContact CG2-CE1 3.95Å; V126-F304 HydrophobicContact CG2-CZ 4.29Å
127G96.5Very high90.4Very high31 Ų3144.5 Ų44.532%0.3223%0.234SC..THydrogen-bonded Turntrans77.135.717900000113.3A123 K124 L125A123-G127 PolarHBondContact O-N 2.98Å; K124-G127 PolarHBondContact O-N 3.37Å; L125-G127 VanDerWaalsContact C-N 3.32Å
128L94.7Very high88.9Confident10 Ų1043.1 Ų43.15%0.05222%0.224CC..  trans-67.7146.8165.2-74.7174.7000110A123 V126 F132 F293 I296 I302 W320A123-L128 HydrophobicContact CB-CB 4.1Å; A123-L128 HydrophobicContact CB-CD1 4.05Å; A123-L128 PolarHBondContact O-N 3.41Å; V126-L128 HydrophobicContact CG2-CB 4.49Å; V126-L128 HydrophobicContact CG2-CD1 4.09Å; V126-L128 HydrophobicContact CG2-CG 3.8Å; L128-F132 HydrophobicContact CB-CB 4.2Å; L128-F132 HydrophobicContact CB-CD2 4.4Å; L128-F132 HydrophobicContact CB-CG 4.32Å; L128-F132 HydrophobicContact CD1-CB 4.38Å; L128-F132 HydrophobicContact CD1-CD1 4.44Å; L128-F132 HydrophobicContact CD1-CG 4.43Å; L128-F293 HydrophobicContact CD2-CD2 4.04Å; L128-F293 HydrophobicContact CD2-CE2 3.96Å; L128-F293 HydrophobicContact CG-CE2 4.3Å; L128-I296 HydrophobicContact CD2-CG1 3.88Å; L128-I296 HydrophobicContact CD2-CG2 4.48Å; L128-I302 HydrophobicContact CD1-CG2 4.3Å; L128-I302 HydrophobicContact CD2-CD1 3.97Å; L128-I302 HydrophobicContact CD2-CG2 4.22Å; L128-W320 HydrophobicContact CD1-CD2 3.7Å; L128-W320 HydrophobicContact CD1-CE3 3.91Å; L128-W320 HydrophobicContact CD1-CG 4.13Å; L128-W320 HydrophobicContact CD1-CH2 4.34Å; L128-W320 HydrophobicContact CD1-CZ2 4.15Å; L128-W320 HydrophobicContact CD1-CZ3 4.24Å
129P91.3Very high87.6Confident32 Ų3244.6 Ų44.621%0.20823%0.234CC..  trans-57.4155.7173.3-23.532.7000113E131 F132 I296P129-E131 WeakPolarHBondContact CB-OE2 3.38Å; P129-E131 PolarHBondContact O-N 2.51Å; P129-E131 VanDerWaalsContact O-N 3.15Å; P129-F132 HydrophobicContact CB-CD2 4.03Å; P129-F132 HydrophobicContact CB-CE2 4.32Å; P129-F132 HydrophobicContact CG-CD2 4.08Å; P129-F132 HydrophobicContact CG-CE2 3.98Å; P129-F132 WeakPolarHBondContact O-CB 3.03Å; P129-F132 PolarHBondContact O-N 3.49Å; P129-F132 VanDerWaalsContact O-N 3.07Å; P129-I296 HydrophobicContact CG-CG2 3.85Å
130D89.1Confident86.5Confident107 Ų10744.7 Ų44.757%0.57224%0.235SC*.G310 helixtrans-61.4-26.3-177.4-76.8-10.8000112.1F132 L133 S136D130-F132 PolarHBondContact O-N 3.29Å; D130-F132 VanDerWaalsContact O-N 3.09Å; D130-L133 HydrophobicContact CB-CD1 4.29Å; D130-L133 VanDerWaalsContact O-CB 3.29Å; D130-L133 WeakPolarHBondContact O-CB 3.49Å; D130-L133 PolarHBondContact O-N 3.29Å; D130-L133 WeakPolarHBondContact OD1-CD1 3.26Å; D130-S136 VanDerWaalsContact O-CB 3.22Å; D130-S136 WeakPolarHBondContact O-CB 3.44Å; D130-S136 PolarHBondContact O-OG 2.82Å
131E84.6Confident85.9Confident76 Ų7644.3 Ų44.336%0.35523%0.233SC..G310 helixtrans-59.5-20.4176.5-62.481.2178.400113.6P129 G140 V322P129-E131 WeakPolarHBondContact CB-OE2 3.38Å; P129-E131 PolarHBondContact O-N 2.51Å; P129-E131 VanDerWaalsContact O-N 3.15Å; E131-G140 WeakPolarHBondContact O-CA 3.26Å; E131-G140 PolarHBondContact O-N 3.09Å; E131-V322 HydrophobicContact CB-CG1 4.16Å
132F85Confident85.4Confident3 Ų339.7 Ų39.71%0.01322%0.216CC..G310 helixtrans-86.4-12.5174.7-69.1-97.8000113.1L128 P129 D130 I296 I302 W320 V322L128-F132 HydrophobicContact CB-CB 4.2Å; L128-F132 HydrophobicContact CB-CD2 4.4Å; L128-F132 HydrophobicContact CB-CG 4.32Å; L128-F132 HydrophobicContact CD1-CB 4.38Å; L128-F132 HydrophobicContact CD1-CD1 4.44Å; L128-F132 HydrophobicContact CD1-CG 4.43Å; P129-F132 HydrophobicContact CB-CD2 4.03Å; P129-F132 HydrophobicContact CB-CE2 4.32Å; P129-F132 HydrophobicContact CG-CD2 4.08Å; P129-F132 HydrophobicContact CG-CE2 3.98Å; P129-F132 WeakPolarHBondContact O-CB 3.03Å; P129-F132 PolarHBondContact O-N 3.49Å; P129-F132 VanDerWaalsContact O-N 3.07Å; D130-F132 PolarHBondContact O-N 3.29Å; D130-F132 VanDerWaalsContact O-N 3.09Å; F132-I296 HydrophobicContact CZ-CG1 4.27Å; F132-I302 HydrophobicContact CD1-CG2 4.02Å; F132-I302 HydrophobicContact CE1-CG2 3.65Å; F132-W320 HydrophobicContact CD1-CB 3.64Å; F132-W320 HydrophobicContact CD1-CG 4.29Å; F132-W320 HydrophobicContact CE1-CB 4.39Å; F132-W320 VanDerWaalsContact O-CD1 3.29Å; F132-V322 HydrophobicContact CB-CG2 4.24Å; F132-V322 HydrophobicContact CD1-CG2 3.25Å; F132-V322 HydrophobicContact CD2-CG2 3.75Å; F132-V322 HydrophobicContact CE1-CB 4.45Å; F132-V322 HydrophobicContact CE1-CG2 3.32Å; F132-V322 HydrophobicContact CE2-CG2 3.81Å; F132-V322 HydrophobicContact CG-CG2 3.47Å; F132-V322 VanDerWaalsContact CG-CG2 3.47Å; F132-V322 HydrophobicContact CZ-CG2 3.6Å
133L85Confident85Confident5 Ų539.7 Ų39.73%0.02622%0.216CC..  trans-85.8134.6-176.6-59.7174.8000111.4D120 A123 K124 D130 S135 S136 G140D120-L133 HydrophobicContact CB-CD2 4.17Å; D120-L133 WeakPolarHBondContact OD1-CA 3.43Å; A123-L133 HydrophobicContact CB-CD2 3.39Å; K124-L133 VanDerWaalsContact CE-CD1 3.49Å; K124-L133 HydrophobicContact CG-CD1 4.16Å; K124-L133 HydrophobicContact CG-CD2 4.03Å; D130-L133 HydrophobicContact CB-CD1 4.29Å; D130-L133 VanDerWaalsContact O-CB 3.29Å; D130-L133 WeakPolarHBondContact O-CB 3.49Å; D130-L133 PolarHBondContact O-N 3.29Å; D130-L133 WeakPolarHBondContact OD1-CD1 3.26Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.88Å; L133-S136 WeakPolarHBondContact O-CB 3.5Å; L133-S136 PolarHBondContact O-N 3.15Å; L133-S136 PolarHBondContact O-OG 2.89Å; L133-G140 CarbonylContact C-O 3.31Å
134Y82Confident84.9Confident79 Ų7939.7 Ų39.731%0.3122%0.216SC..THydrogen-bonded Turntrans-64.6-37.9172.2174.8-109.1000112.3L116 D120 S136 A141 P366 P372L116-Y134 HydrophobicContact CB-CD1 4.12Å; L116-Y134 HydrophobicContact CD1-CD1 4.43Å; L116-Y134 HydrophobicContact CD1-CE1 4.21Å; L116-Y134 HydrophobicContact CD2-CG 4.27Å; D120-Y134 WeakPolarHBondContact OD1-CB 3.31Å; D120-Y134 PolarHBondContact OD1-N 2.75Å; Y134-S136 PolarHBondContact O-N 2.86Å; Y134-A141 HydrophobicContact CD2-CB 4.22Å; Y134-P366 HydrophobicContact CD2-CG 3.84Å; Y134-P366 HydrophobicContact CE2-CG 3.31Å; Y134-P366 WeakPolarHBondContact OH-CD 3.43Å; Y134-P372 HydrophobicContact CE2-CG 3.62Å; Y134-P372 WeakPolarHBondContact OH-CG 3.38Å
135S82.6Confident84.7Confident74 Ų7434.6 Ų34.652%0.51719%0.194SC..THydrogen-bonded Turntrans-74.3-5.1179.1580000114.6D120 L133D120-S135 WeakPolarHBondContact OD2-CB 3.44Å; D120-S135 PolarHBondContact OD2-N 2.85Å; D120-S135 PolarHBondContact OD2-OG 3.09Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.88Å
136S76.1Confident84.6Confident28 Ų2834.3 Ų34.320%0.19619%0.194CC..SBendtrans-83.1173.8176.378.20000111.4D130 L133 Y134 G138D130-S136 VanDerWaalsContact O-CB 3.22Å; D130-S136 WeakPolarHBondContact O-CB 3.44Å; D130-S136 PolarHBondContact O-OG 2.82Å; L133-S136 WeakPolarHBondContact O-CB 3.5Å; L133-S136 PolarHBondContact O-N 3.15Å; L133-S136 PolarHBondContact O-OG 2.89Å; Y134-S136 PolarHBondContact O-N 2.86Å; S136-G138 PolarHBondContact O-N 3.27Å; S136-G138 WeakPolarHBondContact OG-CA 3.39Å; S136-G138 PolarHBondContact OG-N 3.07Å
137Q68.3Low84.5Confident198 Ų19836.4 Ų36.493%0.92521%0.207SC*.SBendtrans-78.8-1.4166.1-62.7-63.7-45.200112.2
138G62.6Low84.4Confident16 Ų1635.1 Ų35.117%0.16519%0.194CC..SBendtrans-73.3168179.900000112.8S136 G140S136-G138 PolarHBondContact O-N 3.27Å; S136-G138 WeakPolarHBondContact OG-CA 3.39Å; S136-G138 PolarHBondContact OG-N 3.07Å; G138-G140 VanDerWaalsContact C-N 3.33Å; G138-G140 PolarHBondContact O-N 3.07Å
139P69.6Low84.4Confident32 Ų3236.7 Ų36.721%0.20821%0.206CC..SBendtrans-86.1-2.9-173.137.8-40.6000113.8V322 S323 S326P139-V322 HydrophobicContact CG-CG1 3.84Å; P139-S323 WeakPolarHBondContact CG-O 3.19Å; P139-S326 WeakPolarHBondContact CG-OG 3.33Å
140G72Confident84.4Confident3 Ų336 Ų363%0.03120%0.2CC..  trans-96161-168.800000114.4E131 L133 G138 Y321E131-G140 WeakPolarHBondContact O-CA 3.26Å; E131-G140 PolarHBondContact O-N 3.09Å; L133-G140 CarbonylContact C-O 3.31Å; G138-G140 VanDerWaalsContact C-N 3.33Å; G138-G140 PolarHBondContact O-N 3.07Å; G140-Y321 WeakPolarHBondContact CA-O 3.31Å
141A81.4Confident84.6Confident0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-155.2171.2163.500000110.8Y134 W320 Y321 W388Y134-A141 HydrophobicContact CD2-CB 4.22Å; A141-W320 WeakPolarHBondContact O-CA 3.44Å; A141-Y321 HydrophobicContact CB-CE1 3.77Å; A141-Y321 WeakPolarHBondContact CB-OH 3.35Å; A141-Y321 PolarHBondContact N-O 3.16Å; A141-Y321 WeakPolarHBondContact O-CD1 3.44Å; A141-Y321 WeakPolarHBondContact O-CE1 3.47Å; A141-Y321 PolarHBondContact O-N 3.25Å; A141-W388 HydrophobicContact CB-CH2 3.57Å; A141-W388 HydrophobicContact CB-CZ3 3.9Å
142G86.7Confident85Confident1 Ų127.3 Ų27.31%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-110.6149.917700000113.3F319G142-F319 CarbonylContact C-O 2.83Å; G142-F319 VanDerWaalsContact CA-O 3.3Å; G142-F319 WeakPolarHBondContact CA-O 3.33Å
143V89.3Confident85.4Confident0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-138.2149.4172.257.40000111.3E115 Q145 F319 L368 W388E115-V143 WeakPolarHBondContact OE1-CA 3.5Å; E115-V143 VanDerWaalsContact OE1-CG2 3.31Å; E115-V143 WeakPolarHBondContact OE1-CG2 3.41Å; V143-Q145 VanDerWaalsContact CG1-NE2 3.32Å; V143-F319 HydrophobicContact CG1-CB 4.16Å; V143-F319 HydrophobicContact CG1-CD1 3.78Å; V143-F319 HydrophobicContact CG1-CG 4.44Å; V143-F319 PolarHBondContact N-O 3.09Å; V143-F319 PolarHBondContact O-N 3.49Å; V143-L368 HydrophobicContact CG2-CD2 4.21Å; V143-W388 HydrophobicContact CB-CE3 3.57Å; V143-W388 HydrophobicContact CB-CZ3 4.05Å; V143-W388 HydrophobicContact CG1-CB 4.34Å; V143-W388 HydrophobicContact CG1-CE3 3.73Å; V143-W388 HydrophobicContact CG2-CB 4.39Å; V143-W388 HydrophobicContact CG2-CE3 4.27Å
144I94.4Very high85.6Confident0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-94.3106.6176-52.9166.2000110.1E115 M119 S317 R394 R397 L401E115-I144 HydrophobicContact CG-CD1 3.73Å; E115-I144 HydrophobicContact CG-CG1 3.9Å; E115-I144 PolarHBondContact OE1-N 3.36Å; M119-I144 HydrophobicContact CG-CG1 4.25Å; M119-I144 HydrophobicContact SD-CG1 3.68Å; I144-S317 CarbonylContact C-O 3.51Å; I144-S317 WeakPolarHBondContact CA-O 3.17Å; I144-R394 PolarHBondContact O-NH2 3.35Å; I144-R397 HydrophobicContact CB-CB 4.26Å; I144-R397 HydrophobicContact CD1-CB 4.18Å; I144-R397 HydrophobicContact CG2-CB 3.8Å; I144-R397 HydrophobicContact CG2-CG 4.41Å; I144-R397 PolarHBondContact O-NH1 2.91Å; I144-L401 HydrophobicContact CD1-CD1 3.55Å; I144-L401 HydrophobicContact CG1-CD1 4.06Å
145Q93Very high86Confident0 Ų025.8 Ų25.80%015%0.15CC..EExtended strand (participates in β ladder)trans-87.1171.6169.3-57.5-56.7-35.200111.8V143 E150 C151 L154 S317 F319 W388V143-Q145 VanDerWaalsContact CG1-NE2 3.32Å; Q145-E150 HydrophobicContact CB-CB 4.41Å; Q145-E150 HydrophobicContact CB-CG 4.3Å; Q145-E150 HydrophobicContact CG-CG 4.44Å; Q145-E150 PolarHBondContact OE1-OE1 3.25Å; Q145-C151 VanDerWaalsContact CB-SG 3.58Å; Q145-L154 HydrophobicContact CG-CD1 4.17Å; Q145-S317 PolarHBondContact N-O 3.39Å; Q145-S317 PolarHBondContact O-N 3.16Å; Q145-F319 HydrophobicContact CG-CB 3.96Å; Q145-F319 HydrophobicContact CG-CD1 4.33Å; Q145-F319 HydrophobicContact CG-CG 4.44Å; Q145-W388 PolarHBondContact NE2-O 3.26Å
146S94.1Very high86.3Confident25 Ų2522.2 Ų22.218%0.17513%0.125CC..SBendtrans-74.6-49.7177.2-340000110.7E150 D315 R397S146-E150 VanDerWaalsContact CB-OE2 3.27Å; S146-E150 WeakPolarHBondContact CB-OE2 2.97Å; S146-E150 PolarHBondContact N-OE2 2.98Å; S146-E150 PolarHBondContact OG-OE2 2.87Å; S146-D315 WeakPolarHBondContact CA-OD2 3.05Å; S146-D315 WeakPolarHBondContact CB-OD2 3.35Å; S146-D315 WeakPolarHBondContact O-CB 3.32Å; S146-R397 PolarHBondContact OG-NH2 2.93Å
147T95.4Very high86.9Confident44 Ų4422.6 Ų22.627%0.2713%0.125SC..  trans-143.1159.1-171.469.30000112.1S149 E150 C151 F314T147-S149 PolarHBondContact O-N 3.4Å; T147-S149 PolarHBondContact OG1-N 2.8Å; T147-E150 WeakPolarHBondContact O-CB 3.5Å; T147-E150 PolarHBondContact O-N 3.29Å; T147-E150 PolarHBondContact OG1-N 3.18Å; T147-C151 PolarHBondContact O-N 3.38Å; T147-C151 PolarHBondContact O-SG 3.01Å; T147-F314 HydrophobicContact CG2-CE2 4.32Å; T147-F314 HydrophobicContact CG2-CZ 4.06Å
148A95Very high87.6Confident5 Ų513.9 Ų13.94%0.0419%0.087CC..Hα-helixtrans-57.5-30171.800000112.3E150 C151 V152 A278 N303 S317A148-E150 VanDerWaalsContact C-N 3.3Å; A148-E150 PolarHBondContact O-N 2.97Å; A148-C151 WeakPolarHBondContact O-CB 3.17Å; A148-C151 PolarHBondContact O-N 3.18Å; A148-V152 VanDerWaalsContact O-CG2 3.29Å; A148-V152 WeakPolarHBondContact O-CG2 3.07Å; A148-V152 PolarHBondContact O-N 2.99Å; A148-A278 HydrophobicContact CB-CB 4.1Å; A148-N303 WeakPolarHBondContact CB-ND2 3.22Å; A148-S317 PolarHBondContact N-OG 2.99Å
149S94.4Very high88.8Confident43 Ų4313.3 Ų13.330%0.3018%0.08SC..Hα-helixtrans-62.9-36.7175-530000113.1T147 Y153 C199T147-S149 PolarHBondContact O-N 3.4Å; T147-S149 PolarHBondContact OG1-N 2.8Å; S149-Y153 VanDerWaalsContact O-CB 3.24Å; S149-Y153 WeakPolarHBondContact O-CB 3.5Å; S149-Y153 PolarHBondContact O-N 2.74Å; S149-Y153 VanDerWaalsContact O-N 3.09Å; S149-C199 VanDerWaalsContact OG-CB 3.26Å; S149-C199 WeakPolarHBondContact OG-CB 3.29Å
150E92.3Very high89.6Confident18 Ų1813.2 Ų13.28%0.0848%0.076CC..Hα-helixtrans-68.9-44.9174.5-176167.7-153.100109.9Q145 S146 T147 A148 V152 Y153 L154 I390 P391Q145-E150 HydrophobicContact CB-CB 4.41Å; Q145-E150 HydrophobicContact CB-CG 4.3Å; Q145-E150 HydrophobicContact CG-CG 4.44Å; Q145-E150 PolarHBondContact OE1-OE1 3.25Å; S146-E150 VanDerWaalsContact CB-OE2 3.27Å; S146-E150 WeakPolarHBondContact CB-OE2 2.97Å; S146-E150 PolarHBondContact N-OE2 2.98Å; S146-E150 PolarHBondContact OG-OE2 2.87Å; T147-E150 WeakPolarHBondContact O-CB 3.5Å; T147-E150 PolarHBondContact O-N 3.29Å; T147-E150 PolarHBondContact OG1-N 3.18Å; A148-E150 VanDerWaalsContact C-N 3.3Å; A148-E150 PolarHBondContact O-N 2.97Å; E150-V152 PolarHBondContact O-N 3.2Å; E150-Y153 PolarHBondContact O-N 2.85Å; E150-L154 HydrophobicContact CG-CD1 3.89Å; E150-L154 HydrophobicContact CG-CG 4.35Å; E150-L154 WeakPolarHBondContact O-CB 3.48Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.23Å; E150-I390 HydrophobicContact CG-CD1 4.1Å; E150-I390 HydrophobicContact CG-CG1 4.23Å; E150-I390 PolarHBondContact OE1-N 3.24Å; E150-P391 WeakPolarHBondContact OE1-CD 3.43Å
151C92.5Very high90.1Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-57.5-51176.7-53.20000112.9Q145 T147 A148 Y153 L154 S155 N303 S317 F319Q145-C151 VanDerWaalsContact CB-SG 3.58Å; T147-C151 PolarHBondContact O-N 3.38Å; T147-C151 PolarHBondContact O-SG 3.01Å; A148-C151 WeakPolarHBondContact O-CB 3.17Å; A148-C151 PolarHBondContact O-N 3.18Å; C151-Y153 VanDerWaalsContact C-N 3.34Å; C151-Y153 PolarHBondContact O-N 2.97Å; C151-L154 PolarHBondContact O-N 3.09Å; C151-S155 VanDerWaalsContact O-CB 3.26Å; C151-S155 WeakPolarHBondContact O-CB 3.11Å; C151-S155 PolarHBondContact O-N 3Å; C151-N303 HydrophobicContact CB-CB 3.67Å; C151-S317 PolarHBondContact SG-OG 3.37Å; C151-F319 HydrophobicContact CB-CB 4.34Å; C151-F319 HydrophobicContact CB-CD2 3.69Å; C151-F319 HydrophobicContact CB-CE2 4.12Å; C151-F319 HydrophobicContact CB-CG 4.06Å
152V93.2Very high90Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-62.5-42.61791740000110.7A148 E150 S155 M156 V200 A203 H274A148-V152 VanDerWaalsContact O-CG2 3.29Å; A148-V152 WeakPolarHBondContact O-CG2 3.07Å; A148-V152 PolarHBondContact O-N 2.99Å; E150-V152 PolarHBondContact O-N 3.2Å; V152-S155 PolarHBondContact O-N 2.7Å; V152-M156 HydrophobicContact CG1-CE 4.44Å; V152-M156 WeakPolarHBondContact O-CB 3.41Å; V152-M156 PolarHBondContact O-N 2.67Å; V152-V200 HydrophobicContact CG1-CB 4.38Å; V152-V200 HydrophobicContact CG1-CG1 4.47Å; V152-V200 HydrophobicContact CG1-CG2 4.1Å; V152-A203 HydrophobicContact CG1-CB 3.98Å; V152-H274 VanDerWaalsContact CG2-NE2 3.33Å; V152-H274 WeakPolarHBondContact CG2-NE2 3.41Å
153Y93.1Very high89.8Confident48 Ų4819.9 Ų19.919%0.18811%0.109CC..Hα-helixtrans-62.1-48176.9174.1-97.5000112S149 E150 C151 S155 M156 L157 A203 M206 I207 I390S149-Y153 VanDerWaalsContact O-CB 3.24Å; S149-Y153 WeakPolarHBondContact O-CB 3.5Å; S149-Y153 PolarHBondContact O-N 2.74Å; S149-Y153 VanDerWaalsContact O-N 3.09Å; E150-Y153 PolarHBondContact O-N 2.85Å; C151-Y153 VanDerWaalsContact C-N 3.34Å; C151-Y153 PolarHBondContact O-N 2.97Å; Y153-S155 VanDerWaalsContact C-N 3.34Å; Y153-S155 PolarHBondContact O-N 2.82Å; Y153-M156 PolarHBondContact O-N 3.5Å; Y153-L157 HydrophobicContact CE1-CD2 4.24Å; Y153-L157 VanDerWaalsContact O-CB 3.31Å; Y153-L157 WeakPolarHBondContact O-CB 3.34Å; Y153-L157 PolarHBondContact O-N 2.87Å; Y153-A203 HydrophobicContact CD2-CB 4.45Å; Y153-M206 HydrophobicContact CD2-CB 4.28Å; Y153-M206 HydrophobicContact CD2-CE 3.6Å; Y153-M206 HydrophobicContact CE2-CB 3.93Å; Y153-M206 HydrophobicContact CE2-CE 4.13Å; Y153-M206 HydrophobicContact CG-CE 4.14Å; Y153-I207 HydrophobicContact CD2-CD1 3.81Å; Y153-I207 HydrophobicContact CD2-CG1 3.75Å; Y153-I207 HydrophobicContact CE2-CD1 3.99Å; Y153-I207 HydrophobicContact CE2-CG1 3.46Å; Y153-I207 VanDerWaalsContact CE2-CG1 3.46Å; Y153-I390 HydrophobicContact CD1-CD1 3.42Å; Y153-I390 VanDerWaalsContact CD1-CD1 3.42Å; Y153-I390 HydrophobicContact CD1-CG1 3.98Å; Y153-I390 HydrophobicContact CE1-CD1 3.64Å; Y153-I390 HydrophobicContact CE1-CG1 4Å; Y153-I390 HydrophobicContact CG-CD1 4.36Å
154L89.6Confident89.5Confident5 Ų521.7 Ų21.73%0.02612%0.12CC..Hα-helixtrans-61.6-44.7179.4-68167.9000111.1Q145 E150 C151 L157 A158 F319 F350 W388 I390Q145-L154 HydrophobicContact CG-CD1 4.17Å; E150-L154 HydrophobicContact CG-CD1 3.89Å; E150-L154 HydrophobicContact CG-CG 4.35Å; E150-L154 WeakPolarHBondContact O-CB 3.48Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.23Å; C151-L154 PolarHBondContact O-N 3.09Å; L154-L157 PolarHBondContact O-N 3.39Å; L154-A158 WeakPolarHBondContact O-CB 3.3Å; L154-A158 PolarHBondContact O-N 2.92Å; L154-F319 HydrophobicContact CB-CE1 4.37Å; L154-F350 HydrophobicContact CB-CZ 4.1Å; L154-F350 HydrophobicContact CD2-CD1 4.09Å; L154-F350 HydrophobicContact CD2-CE1 3.3Å; L154-F350 HydrophobicContact CD2-CE2 3.83Å; L154-F350 HydrophobicContact CD2-CZ 3.18Å; L154-F350 HydrophobicContact CG-CZ 4.22Å; L154-W388 WeakPolarHBondContact CD1-O 3.39Å; L154-I390 HydrophobicContact CD2-CG1 3.85Å; L154-I390 HydrophobicContact CG-CG1 4.43Å
155S89.6Confident88.6Confident1 Ų123.5 Ų23.51%0.00713%0.133CC..Hα-helixtrans-60.8-49.5177.1-176.80000112C151 V152 Y153 L157 A158 A159 F243 W272 H274 T301C151-S155 VanDerWaalsContact O-CB 3.26Å; C151-S155 WeakPolarHBondContact O-CB 3.11Å; C151-S155 PolarHBondContact O-N 3Å; V152-S155 PolarHBondContact O-N 2.7Å; Y153-S155 VanDerWaalsContact C-N 3.34Å; Y153-S155 PolarHBondContact O-N 2.82Å; S155-L157 VanDerWaalsContact C-N 3.35Å; S155-L157 PolarHBondContact O-N 2.84Å; S155-A158 PolarHBondContact O-N 2.74Å; S155-A159 WeakPolarHBondContact O-CB 3.33Å; S155-A159 PolarHBondContact O-N 3.5Å; S155-F243 WeakPolarHBondContact OG-CE2 3.42Å; S155-W272 PolarHBondContact OG-NE1 3.34Å; S155-H274 WeakPolarHBondContact OG-CB 3.31Å; S155-H274 PolarHBondContact OG-ND1 3.4Å; S155-T301 PolarHBondContact OG-OG1 3.42Å
156M89.5Confident88Confident0 Ų029.4 Ų29.40%016%0.164CC..Hα-helixtrans-66.1-35.9179.4-173.1-177.8-72.800112.4V152 Y153 K160 A178 V200 A203 A204 I207 I209 F242 F243V152-M156 HydrophobicContact CG1-CE 4.44Å; V152-M156 WeakPolarHBondContact O-CB 3.41Å; V152-M156 PolarHBondContact O-N 2.67Å; Y153-M156 PolarHBondContact O-N 3.5Å; M156-K160 WeakPolarHBondContact O-CB 3.25Å; M156-K160 PolarHBondContact O-N 2.67Å; M156-A178 HydrophobicContact CE-CB 4.32Å; M156-V200 HydrophobicContact CE-CG1 3.88Å; M156-A203 HydrophobicContact CE-CB 4.13Å; M156-A203 HydrophobicContact SD-CB 3.92Å; M156-A204 HydrophobicContact CE-CB 4.42Å; M156-A204 HydrophobicContact SD-CB 4.1Å; M156-I207 HydrophobicContact CB-CD1 3.7Å; M156-I207 HydrophobicContact CG-CD1 3.6Å; M156-I207 HydrophobicContact SD-CD1 3.75Å; M156-I209 HydrophobicContact CE-CD1 4.43Å; M156-I209 HydrophobicContact CG-CD1 3.8Å; M156-I209 HydrophobicContact SD-CD1 3.35Å; M156-I209 WeakPolarHBondContact SD-CD1 3.47Å; M156-I209 HydrophobicContact SD-CG1 4.29Å; M156-F242 HydrophobicContact CG-CZ 4.4Å; M156-F243 HydrophobicContact CB-CD2 4.33Å; M156-F243 HydrophobicContact CB-CE1 4.26Å; M156-F243 HydrophobicContact CB-CE2 3.99Å; M156-F243 HydrophobicContact CB-CZ 3.95Å; M156-F243 HydrophobicContact CE-CD1 3.86Å; M156-F243 HydrophobicContact CE-CE1 3.57Å; M156-F243 HydrophobicContact CE-CZ 4.3Å; M156-F243 HydrophobicContact CG-CD1 4.29Å; M156-F243 HydrophobicContact CG-CD2 4.49Å; M156-F243 HydrophobicContact CG-CE1 4.37Å; M156-F243 HydrophobicContact CG-CG 4.33Å
157L89.1Confident87.5Confident36 Ų3630.1 Ų30.119%0.18817%0.166CC..Hα-helixtrans-69.8-40.6176.6-170.365.9000111.7Y153 L154 S155 K160 K161 I207 T349 F350Y153-L157 HydrophobicContact CE1-CD2 4.24Å; Y153-L157 VanDerWaalsContact O-CB 3.31Å; Y153-L157 WeakPolarHBondContact O-CB 3.34Å; Y153-L157 PolarHBondContact O-N 2.87Å; L154-L157 PolarHBondContact O-N 3.39Å; S155-L157 VanDerWaalsContact C-N 3.35Å; S155-L157 PolarHBondContact O-N 2.84Å; L157-K160 PolarHBondContact O-N 2.9Å; L157-K161 WeakPolarHBondContact O-CB 3.39Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-I207 HydrophobicContact CB-CD1 4.03Å; L157-I207 HydrophobicContact CD1-CD1 4.44Å; L157-I207 HydrophobicContact CD1-CG1 4.26Å; L157-I207 HydrophobicContact CD1-CG2 4.31Å; L157-T349 HydrophobicContact CB-CG2 4.38Å; L157-T349 HydrophobicContact CD2-CG2 4.03Å; L157-T349 HydrophobicContact CG-CG2 3.77Å; L157-F350 HydrophobicContact CB-CZ 4.19Å; L157-F350 HydrophobicContact CD2-CD1 4.22Å; L157-F350 HydrophobicContact CD2-CE1 3.4Å; L157-F350 VanDerWaalsContact CD2-CE1 3.4Å; L157-F350 HydrophobicContact CD2-CZ 3.77Å; L157-F350 HydrophobicContact CG-CE1 4.44Å; L157-F350 HydrophobicContact CG-CZ 4.36Å
158A83.7Confident86.8Confident15 Ų1531 Ų3112%0.12417%0.174CC..Hα-helixtrans-60.7-46.1173.800000111.3L154 S155 K160 K161 L162 W272L154-A158 WeakPolarHBondContact O-CB 3.3Å; L154-A158 PolarHBondContact O-N 2.92Å; S155-A158 PolarHBondContact O-N 2.74Å; A158-K160 PolarHBondContact O-N 3.46Å; A158-K161 PolarHBondContact O-N 2.9Å; A158-L162 PolarHBondContact O-N 3.25Å; A158-W272 HydrophobicContact CB-CH2 4.01Å; A158-W272 HydrophobicContact CB-CZ2 4.12Å
159A87Confident86Confident3 Ų339.2 Ų39.23%0.02522%0.217CC..Hα-helixtrans-59.6-44174.600000112.3S155 L162 A163 F242 F243 W272S155-A159 WeakPolarHBondContact O-CB 3.33Å; S155-A159 PolarHBondContact O-N 3.5Å; A159-L162 PolarHBondContact O-N 3.23Å; A159-A163 WeakPolarHBondContact O-CB 3.37Å; A159-A163 PolarHBondContact O-N 2.98Å; A159-F242 HydrophobicContact CB-CD2 3.88Å; A159-F242 HydrophobicContact CB-CE2 3.92Å; A159-F243 HydrophobicContact CB-CB 4.32Å; A159-F243 HydrophobicContact CB-CD2 3.57Å; A159-F243 HydrophobicContact CB-CE2 4.37Å; A159-F243 HydrophobicContact CB-CG 4.4Å; A159-W272 HydrophobicContact CB-CB 3.5Å; A159-W272 VanDerWaalsContact CB-CB 3.5Å; A159-W272 HydrophobicContact CB-CD2 3.76Å; A159-W272 HydrophobicContact CB-CE3 4.21Å; A159-W272 HydrophobicContact CB-CG 3.46Å; A159-W272 VanDerWaalsContact CB-CG 3.46Å
160K86.7Confident85.1Confident31 Ų3146.2 Ų46.214%0.13525%0.245CC..Hα-helixtrans-61.6-47.1176.9-179.5-176.1172.7-162.60110.5M156 L157 A158 L162 A163 T164 E173 F176 I207 I209 F242M156-K160 WeakPolarHBondContact O-CB 3.25Å; M156-K160 PolarHBondContact O-N 2.67Å; L157-K160 PolarHBondContact O-N 2.9Å; A158-K160 PolarHBondContact O-N 3.46Å; K160-L162 VanDerWaalsContact C-N 3.31Å; K160-L162 PolarHBondContact O-N 3.29Å; K160-A163 PolarHBondContact O-N 3.2Å; K160-A163 VanDerWaalsContact O-N 3.14Å; K160-T164 WeakPolarHBondContact O-CB 3.22Å; K160-T164 PolarHBondContact O-N 2.85Å; K160-T164 PolarHBondContact O-OG1 3.49Å; K160-T164 VanDerWaalsContact O-OG1 3.06Å; K160-E173 VanDerWaalsContact CE-CD 3.49Å; K160-E173 WeakPolarHBondContact CE-OE2 3.35Å; K160-E173 IonicContact NZ-OE2 2.78Å; K160-E173 PolarHBondContact NZ-OE2 3.31Å; K160-F176 HydrophobicContact CG-CD2 3.99Å; K160-F176 HydrophobicContact CG-CE2 4.01Å; K160-I207 HydrophobicContact CD-CG2 3.34Å; K160-I207 HydrophobicContact CG-CG2 4.48Å; K160-I209 HydrophobicContact CD-CG2 4.08Å; K160-F242 HydrophobicContact CB-CE2 3.82Å; K160-F242 HydrophobicContact CB-CZ 4.32Å
161K81.4Confident84.6Confident92 Ų9250.3 Ų50.340%0.426%0.263SS..Hα-helixtrans-58.8-44.6-179.8-179.662.6174.8-174.80111.5L157 A158 T164 S165 T349L157-K161 WeakPolarHBondContact O-CB 3.39Å; L157-K161 PolarHBondContact O-N 3.48Å; A158-K161 PolarHBondContact O-N 2.9Å; K161-T164 PolarHBondContact O-N 3.47Å; K161-S165 PolarHBondContact O-N 3.09Å; K161-T349 HydrophobicContact CB-CG2 4.05Å; K161-T349 WeakPolarHBondContact CB-OG1 3.5Å; K161-T349 HydrophobicContact CG-CG2 4.49Å; K161-T349 WeakPolarHBondContact CG-OG1 3.31Å
162L79Confident84.4Confident34 Ų3453.4 Ų53.418%0.17828%0.284CS..Hα-helixtrans-59.6-50173.4174.750000111.2A158 A159 K160 T164 S165 N166 W272 L325 I346A158-L162 PolarHBondContact O-N 3.25Å; A159-L162 PolarHBondContact O-N 3.23Å; K160-L162 VanDerWaalsContact C-N 3.31Å; K160-L162 PolarHBondContact O-N 3.29Å; L162-T164 VanDerWaalsContact C-N 3.34Å; L162-T164 PolarHBondContact O-N 3.39Å; L162-S165 PolarHBondContact O-N 2.93Å; L162-S165 VanDerWaalsContact O-N 3.16Å; L162-S165 PolarHBondContact O-OG 3.45Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.36Å; L162-N166 PolarHBondContact O-N 2.81Å; L162-N166 PolarHBondContact O-ND2 3.47Å; L162-W272 HydrophobicContact CD2-CE3 4.29Å; L162-W272 HydrophobicContact CD2-CZ3 4.42Å; L162-L325 HydrophobicContact CD2-CD1 4.04Å; L162-I346 HydrophobicContact CB-CD1 4.38Å; L162-I346 HydrophobicContact CB-CG1 4Å; L162-I346 HydrophobicContact CD1-CD1 3.48Å; L162-I346 VanDerWaalsContact CD1-CD1 3.48Å; L162-I346 HydrophobicContact CD1-CG1 3.53Å; L162-I346 HydrophobicContact CD2-CD1 3.66Å; L162-I346 HydrophobicContact CD2-CG1 4.22Å; L162-I346 HydrophobicContact CG-CD1 3.99Å; L162-I346 HydrophobicContact CG-CG1 4.08Å
163A84.2Confident84.1Confident17 Ų1756.9 Ų56.914%0.1430%0.3CS..Hα-helixtrans-59.7-43.6179.300000112A159 K160 S165 N166 L167 F176 F242A159-A163 WeakPolarHBondContact O-CB 3.37Å; A159-A163 PolarHBondContact O-N 2.98Å; K160-A163 PolarHBondContact O-N 3.2Å; K160-A163 VanDerWaalsContact O-N 3.14Å; A163-S165 VanDerWaalsContact C-N 3.3Å; A163-S165 PolarHBondContact O-N 2.85Å; A163-N166 CarbonylContact O-C 3Å; A163-N166 PolarHBondContact O-N 3.33Å; A163-N166 VanDerWaalsContact O-N 3.09Å; A163-L167 PolarHBondContact O-N 3.25Å; A163-F176 HydrophobicContact CB-CD1 4.37Å; A163-F176 HydrophobicContact CB-CE1 3.66Å; A163-F176 HydrophobicContact CB-CE2 4.36Å; A163-F176 HydrophobicContact CB-CZ 3.65Å; A163-F242 HydrophobicContact CB-CB 3.74Å; A163-F242 HydrophobicContact CB-CD2 4.13Å; A163-F242 HydrophobicContact CB-CG 4.14Å
164T82.5Confident83.9Confident39 Ų3957.9 Ų57.924%0.23931%0.314CS..Hα-helixtrans-57.1-43.9175.2-62.20000111.2K160 K161 L162 N166 L167 E173 F176K160-T164 WeakPolarHBondContact O-CB 3.22Å; K160-T164 PolarHBondContact O-N 2.85Å; K160-T164 PolarHBondContact O-OG1 3.49Å; K160-T164 VanDerWaalsContact O-OG1 3.06Å; K161-T164 PolarHBondContact O-N 3.47Å; L162-T164 VanDerWaalsContact C-N 3.34Å; L162-T164 PolarHBondContact O-N 3.39Å; T164-N166 PolarHBondContact O-N 2.94Å; T164-N166 VanDerWaalsContact O-N 3.16Å; T164-L167 HydrophobicContact CG2-CD1 4.34Å; T164-L167 WeakPolarHBondContact O-CB 3.31Å; T164-L167 PolarHBondContact O-N 3.47Å; T164-L167 VanDerWaalsContact O-N 3.1Å; T164-E173 WeakPolarHBondContact CB-OE1 3.44Å; T164-E173 HydrophobicContact CG2-CG 4.29Å; T164-E173 WeakPolarHBondContact CG2-OE1 3.46Å; T164-E173 PolarHBondContact OG1-OE1 2.95Å; T164-F176 WeakPolarHBondContact OG1-CE2 3.22Å
165S75.3Confident84.1Confident38 Ų3859.1 Ų59.127%0.26632%0.323SS..Hα-helixtrans-65.3-17.7-179.774.30000114.3K161 L162 A163K161-S165 PolarHBondContact O-N 3.09Å; L162-S165 PolarHBondContact O-N 2.93Å; L162-S165 VanDerWaalsContact O-N 3.16Å; L162-S165 PolarHBondContact O-OG 3.45Å; A163-S165 VanDerWaalsContact C-N 3.3Å; A163-S165 PolarHBondContact O-N 2.85Å
166N80.2Confident84.4Confident123 Ų12359.1 Ų59.166%0.65832%0.323SS*.THydrogen-bonded Turntrans-104.64.5177.9-66.8-38.7000113L162 A163 T164L162-N166 WeakPolarHBondContact CD1-ND2 3.36Å; L162-N166 PolarHBondContact O-N 2.81Å; L162-N166 PolarHBondContact O-ND2 3.47Å; A163-N166 CarbonylContact O-C 3Å; A163-N166 PolarHBondContact O-N 3.33Å; A163-N166 VanDerWaalsContact O-N 3.09Å; T164-N166 PolarHBondContact O-N 2.94Å; T164-N166 VanDerWaalsContact O-N 3.16Å
167L83.1Confident84.7Confident41 Ų4159.2 Ų59.222%0.21532%0.324CS..  trans-67.9136.7175.5-73.9175.3000110.6A163 T164 K171 E173 F176 I240A163-L167 PolarHBondContact O-N 3.25Å; T164-L167 HydrophobicContact CG2-CD1 4.34Å; T164-L167 WeakPolarHBondContact O-CB 3.31Å; T164-L167 PolarHBondContact O-N 3.47Å; T164-L167 VanDerWaalsContact O-N 3.1Å; L167-K171 HydrophobicContact CD2-CB 3.92Å; L167-E173 HydrophobicContact CD1-CG 4.08Å; L167-F176 HydrophobicContact CD1-CE1 4.29Å; L167-F176 HydrophobicContact CD1-CE2 4.16Å; L167-F176 HydrophobicContact CD1-CZ 3.55Å; L167-F176 HydrophobicContact CD2-CE1 3.66Å; L167-F176 HydrophobicContact CD2-CZ 3.76Å; L167-F176 HydrophobicContact CG-CE1 4.13Å; L167-F176 HydrophobicContact CG-CZ 3.71Å; L167-I240 HydrophobicContact CD2-CD1 3.36Å
168S81.3Confident85.1Confident62 Ų6257.5 Ų57.543%0.43432%0.315SS..  trans-73.2154.2162.156.20000110.5E170 K171S168-E170 PolarHBondContact O-N 2.95Å; S168-K171 PolarHBondContact O-N 3.35Å
169D77.7Confident85.7Confident178 Ų17856.8 Ų56.895%0.95231%0.309SS*.THydrogen-bonded Turntrans-53.5-27.2179.2-62.8-27.5000114.4K171D169-K171 VanDerWaalsContact C-N 3.32Å; D169-K171 PolarHBondContact O-N 3.24Å
170E77Confident86.1Confident189 Ų18956.7 Ų56.788%0.88331%0.308SS*.THydrogen-bonded Turntrans-76.9-13.1179.7-62.3-179.2172.800114.4S168S168-E170 PolarHBondContact O-N 2.95Å
171K81.9Confident86.3Confident105 Ų10555.3 Ų55.346%0.45730%0.302SS..  trans-112.2144.2-173.2-68.9-166.5-176.8-1720111.5L167 S168 D169 I240L167-K171 HydrophobicContact CD2-CB 3.92Å; S168-K171 PolarHBondContact O-N 3.35Å; D169-K171 VanDerWaalsContact C-N 3.32Å; D169-K171 PolarHBondContact O-N 3.24Å; K171-I240 HydrophobicContact CB-CD1 3.91Å; K171-I240 HydrophobicContact CD-CD1 3.51Å; K171-I240 HydrophobicContact CD-CG1 3.95Å; K171-I240 HydrophobicContact CG-CD1 4.25Å
172S87Confident86.5Confident64 Ų6452.1 Ų52.145%0.44829%0.29SS..  trans-110152.8179.2-1770000111.1S174 S175S172-S174 WeakPolarHBondContact CB-OG 3.42Å; S172-S174 PolarHBondContact O-N 3.09Å; S172-S174 VanDerWaalsContact O-N 3.09Å; S172-S174 PolarHBondContact OG-N 2.92Å; S172-S174 PolarHBondContact OG-OG 3.41Å; S172-S175 WeakPolarHBondContact O-CB 3.32Å; S172-S175 PolarHBondContact O-N 3.49Å
173E87.3Confident86Confident73 Ų7350.7 Ų50.734%0.34128%0.282SS..G310 helixtrans-56.4-23170.3-56.7-165.8156.200112.8K160 T164 L167 S175 F176K160-E173 VanDerWaalsContact CE-CD 3.49Å; K160-E173 WeakPolarHBondContact CE-OE2 3.35Å; K160-E173 IonicContact NZ-OE2 2.78Å; K160-E173 PolarHBondContact NZ-OE2 3.31Å; T164-E173 WeakPolarHBondContact CB-OE1 3.44Å; T164-E173 HydrophobicContact CG2-CG 4.29Å; T164-E173 WeakPolarHBondContact CG2-OE1 3.46Å; T164-E173 PolarHBondContact OG1-OE1 2.95Å; L167-E173 HydrophobicContact CD1-CG 4.08Å; E173-S175 PolarHBondContact O-N 3.32Å; E173-F176 HydrophobicContact CB-CD2 3.82Å; E173-F176 HydrophobicContact CB-CE2 3.77Å; E173-F176 HydrophobicContact CG-CD2 4.35Å; E173-F176 HydrophobicContact CG-CE2 3.8Å; E173-F176 VanDerWaalsContact O-CB 3.32Å; E173-F176 WeakPolarHBondContact O-CB 3.45Å; E173-F176 VanDerWaalsContact O-CD2 3.3Å; E173-F176 WeakPolarHBondContact O-CD2 3.46Å; E173-F176 WeakPolarHBondContact O-CG 3.44Å; E173-F176 PolarHBondContact O-N 3.01Å
174S89Confident84.9Confident70 Ų7050.6 Ų50.649%0.4928%0.279SS..G310 helixtrans-63.8-16.9175.964.80000113.7S172S172-S174 WeakPolarHBondContact CB-OG 3.42Å; S172-S174 PolarHBondContact O-N 3.09Å; S172-S174 VanDerWaalsContact O-N 3.09Å; S172-S174 PolarHBondContact OG-N 2.92Å; S172-S174 PolarHBondContact OG-OG 3.41Å
175S92.7Very high83.4Confident30 Ų3050.4 Ų50.421%0.2128%0.278CS..G310 helixtrans-85.6-5.5174.6-60.80000113.3S172 E173 L239 I240S172-S175 WeakPolarHBondContact O-CB 3.32Å; S172-S175 PolarHBondContact O-N 3.49Å; E173-S175 PolarHBondContact O-N 3.32Å; S175-L239 CarbonylContact O-C 3.51Å; S175-L239 WeakPolarHBondContact O-CA 3.36Å; S175-I240 PolarHBondContact O-N 3.07Å
176F96.1Very high82Confident1 Ų152.8 Ų52.80%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-68.7136.6179.4-71.2-36.4000112.9K160 A163 T164 L167 E173 I209 R210 I240 F242K160-F176 HydrophobicContact CG-CD2 3.99Å; K160-F176 HydrophobicContact CG-CE2 4.01Å; A163-F176 HydrophobicContact CB-CD1 4.37Å; A163-F176 HydrophobicContact CB-CE1 3.66Å; A163-F176 HydrophobicContact CB-CE2 4.36Å; A163-F176 HydrophobicContact CB-CZ 3.65Å; T164-F176 WeakPolarHBondContact OG1-CE2 3.22Å; L167-F176 HydrophobicContact CD1-CE1 4.29Å; L167-F176 HydrophobicContact CD1-CE2 4.16Å; L167-F176 HydrophobicContact CD1-CZ 3.55Å; L167-F176 HydrophobicContact CD2-CE1 3.66Å; L167-F176 HydrophobicContact CD2-CZ 3.76Å; L167-F176 HydrophobicContact CG-CE1 4.13Å; L167-F176 HydrophobicContact CG-CZ 3.71Å; E173-F176 HydrophobicContact CB-CD2 3.82Å; E173-F176 HydrophobicContact CB-CE2 3.77Å; E173-F176 HydrophobicContact CG-CD2 4.35Å; E173-F176 HydrophobicContact CG-CE2 3.8Å; E173-F176 VanDerWaalsContact O-CB 3.32Å; E173-F176 WeakPolarHBondContact O-CB 3.45Å; E173-F176 VanDerWaalsContact O-CD2 3.3Å; E173-F176 WeakPolarHBondContact O-CD2 3.46Å; E173-F176 WeakPolarHBondContact O-CG 3.44Å; E173-F176 PolarHBondContact O-N 3.01Å; F176-I209 HydrophobicContact CB-CG2 4.09Å; F176-R210 WeakPolarHBondContact O-CB 3.4Å; F176-R210 PolarHBondContact O-N 2.97Å; F176-I240 WeakPolarHBondContact CA-O 3.43Å; F176-I240 HydrophobicContact CD1-CB 3.79Å; F176-I240 HydrophobicContact CD1-CD1 4.24Å; F176-I240 HydrophobicContact CD1-CG2 3.84Å; F176-I240 HydrophobicContact CE1-CB 4.18Å; F176-I240 HydrophobicContact CE1-CD1 4.1Å; F176-I240 HydrophobicContact CE1-CG2 3.83Å; F176-F242 HydrophobicContact CB-CD1 3.75Å; F176-F242 HydrophobicContact CB-CE1 3.69Å; F176-F242 HydrophobicContact CD1-CD1 4.2Å; F176-F242 HydrophobicContact CD1-CG 4.47Å; F176-F242 HydrophobicContact CG-CD1 4.1Å; F176-F242 HydrophobicContact CG-CE1 4.33Å
177V97.1Very high80.2Confident3 Ų350.7 Ų50.72%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-132.3128.8175.858.70000110.9Y179 R210 R212 D234 L239 I240 P241 F242V177-Y179 HydrophobicContact CG1-CE2 3.98Å; V177-Y179 WeakPolarHBondContact CG1-OH 3.19Å; V177-Y179 HydrophobicContact CG2-CE1 4.4Å; V177-Y179 HydrophobicContact CG2-CE2 4.3Å; V177-R210 WeakPolarHBondContact CA-O 3.19Å; V177-R210 HydrophobicContact CB-CB 4.26Å; V177-R210 HydrophobicContact CG2-CB 4.26Å; V177-R212 HydrophobicContact CG2-CB 3.85Å; V177-D234 HydrophobicContact CG1-CB 4.24Å; V177-L239 HydrophobicContact CG1-CB 3.94Å; V177-I240 PolarHBondContact N-O 3.04Å; V177-P241 HydrophobicContact CG1-CG 4.23Å; V177-F242 VanDerWaalsContact O-CD1 3.25Å; V177-F242 WeakPolarHBondContact O-CD1 3.36Å; V177-F242 PolarHBondContact O-N 2.96Å
178A97.2Very high78.2Confident0 Ų057.2 Ų57.20%030%0.304CS..EExtended strand (participates in β ladder)trans-100.9157.3171.300000110.4M156 I209 R210 L211 R212 F242 F243M156-A178 HydrophobicContact CE-CB 4.32Å; A178-I209 HydrophobicContact CB-CD1 3.81Å; A178-R210 PolarHBondContact N-O 3.48Å; A178-L211 HydrophobicContact CB-CD1 3.92Å; A178-L211 WeakPolarHBondContact O-CA 3.47Å; A178-R212 PolarHBondContact O-N 3.47Å; A178-F242 HydrophobicContact CB-CE1 4.11Å; A178-F242 HydrophobicContact CB-CZ 4.32Å; A178-F243 CarbonylContact C-O 3.57Å; A178-F243 VanDerWaalsContact CA-O 3.31Å; A178-F243 WeakPolarHBondContact CA-O 3.29Å; A178-F243 HydrophobicContact CB-CB 4.07Å; A178-F243 HydrophobicContact CB-CD1 3.95Å; A178-F243 HydrophobicContact CB-CG 4.46Å
179Y96.9Very high76.4Confident0 Ų060.5 Ų60.50%032%0.322CS..EExtended strand (participates in β ladder)trans-124.5141.9-176.9-59.3-92.6000112V177 R212 V214 L227 A230 V231 D234 P241 F243 V244 C245V177-Y179 HydrophobicContact CG1-CE2 3.98Å; V177-Y179 WeakPolarHBondContact CG1-OH 3.19Å; V177-Y179 HydrophobicContact CG2-CE1 4.4Å; V177-Y179 HydrophobicContact CG2-CE2 4.3Å; Y179-R212 WeakPolarHBondContact CA-O 3.17Å; Y179-R212 HydrophobicContact CD1-CB 3.71Å; Y179-R212 HydrophobicContact CD1-CG 3.8Å; Y179-R212 HydrophobicContact CE1-CB 3.78Å; Y179-R212 HydrophobicContact CE1-CG 3.78Å; Y179-V214 HydrophobicContact CD1-CG2 3.94Å; Y179-L227 HydrophobicContact CD1-CD1 3.97Å; Y179-L227 HydrophobicContact CD2-CD1 4.48Å; Y179-L227 HydrophobicContact CG-CD1 3.8Å; Y179-A230 HydrophobicContact CD1-CB 4.28Å; Y179-A230 HydrophobicContact CE1-CB 4.05Å; Y179-V231 HydrophobicContact CD1-CG2 4.44Å; Y179-V231 HydrophobicContact CD2-CG2 4.35Å; Y179-V231 HydrophobicContact CE1-CG2 4.03Å; Y179-V231 HydrophobicContact CE2-CG2 3.95Å; Y179-D234 VanDerWaalsContact CE1-OD2 3.3Å; Y179-D234 WeakPolarHBondContact CE1-OD2 3.21Å; Y179-D234 VanDerWaalsContact OH-CB 3.29Å; Y179-D234 WeakPolarHBondContact OH-CB 3.33Å; Y179-D234 PolarHBondContact OH-OD2 3.03Å; Y179-P241 HydrophobicContact CE2-CB 3.68Å; Y179-P241 HydrophobicContact CE2-CG 4.24Å; Y179-P241 WeakPolarHBondContact OH-CG 3.26Å; Y179-F243 WeakPolarHBondContact CD2-O 3.13Å; Y179-F243 PolarHBondContact N-O 3.33Å; Y179-V244 HydrophobicContact CD2-CG2 4.28Å; Y179-C245 PolarHBondContact O-N 3.37Å
180T95.2Very high74.7Confident0 Ų056.5 Ų56.50%030%0.299CS..EExtended strand (participates in β ladder)trans-153157.9169.8-172.30000109.5A196 V200 L211 R212 F213 V214T180-A196 HydrophobicContact CG2-CB 3.77Å; T180-V200 HydrophobicContact CG2-CG1 4.16Å; T180-L211 HydrophobicContact CG2-CD1 3.88Å; T180-L211 HydrophobicContact CG2-CD2 3.98Å; T180-L211 HydrophobicContact CG2-CG 4.07Å; T180-R212 PolarHBondContact N-O 2.97Å; T180-R212 VanDerWaalsContact N-O 3.11Å; T180-F213 HydrophobicContact CG2-CD1 3.62Å; T180-F213 HydrophobicContact CG2-CE1 3.63Å; T180-F213 CarbonylContact O-C 3.53Å; T180-F213 VanDerWaalsContact O-CA 3.32Å; T180-F213 WeakPolarHBondContact O-CA 3.29Å; T180-V214 PolarHBondContact O-N 3.35Å
181S90.8Very high72.9Confident2 Ų251.9 Ų51.91%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-64.8149.617668.40000113Q183 A196 V214S181-Q183 VanDerWaalsContact C-N 3.32Å; S181-Q183 PolarHBondContact O-N 3.46Å; S181-Q183 WeakPolarHBondContact OG-CG 3.21Å; S181-Q183 PolarHBondContact OG-NE2 3.03Å; S181-A196 WeakPolarHBondContact O-CB 3.32Å; S181-V214 CarbonylContact C-O 3.42Å
182D86Confident71.3Confident26 Ų2651.1 Ų51.114%0.13930%0.299CS..  trans-80.59179.369.8-16.3000116.6I184 F213 V214 S216D182-I184 PolarHBondContact O-N 3.04Å; D182-I184 VanDerWaalsContact O-O 3.11Å; D182-F213 HydrophobicContact CB-CB 4.01Å; D182-V214 PolarHBondContact N-O 3.03Å; D182-S216 WeakPolarHBondContact OD1-CB 3.23Å; D182-S216 PolarHBondContact OD1-N 2.84Å; D182-S216 PolarHBondContact OD1-OG 3.22Å
183Q68.5Low69.3Low3 Ų350.5 Ų50.51%0.01429%0.294CS..  trans-55.5-6.6-157.2-65-177.42800120.3S181 S216 R220 T250 D257S181-Q183 VanDerWaalsContact C-N 3.32Å; S181-Q183 PolarHBondContact O-N 3.46Å; S181-Q183 WeakPolarHBondContact OG-CG 3.21Å; S181-Q183 PolarHBondContact OG-NE2 3.03Å; Q183-S216 VanDerWaalsContact CG-OG 3.29Å; Q183-S216 WeakPolarHBondContact CG-OG 3.23Å; Q183-R220 HydrophobicContact CG-CB 4.49Å; Q183-R220 WeakPolarHBondContact CG-O 3.25Å; Q183-R220 PolarHBondContact NE2-O 3.35Å; Q183-R220 PolarHBondContact OE1-O 3.03Å; Q183-T250 VanDerWaalsContact NE2-CG2 3.29Å; Q183-T250 PolarHBondContact OE1-OG1 2.99Å; Q183-D257 PolarHBondContact NE2-OD1 3.28Å
184I59.7Low67.4Low16 Ų1648.8 Ų48.88%0.08229%0.286CS..  trans-123.9134.6176.4-52.4-173.6000106.2D182 Y186 Q195 A252D182-I184 PolarHBondContact O-N 3.04Å; D182-I184 VanDerWaalsContact O-O 3.11Å; I184-Y186 HydrophobicContact CB-CE2 4.41Å; I184-Y186 HydrophobicContact CG2-CD2 3.64Å; I184-Y186 HydrophobicContact CG2-CE2 3.53Å; I184-Q195 WeakPolarHBondContact O-CA 3.24Å; I184-Q195 WeakPolarHBondContact O-CB 3.37Å; I184-Q195 WeakPolarHBondContact O-CG 3.44Å; I184-A252 HydrophobicContact CD1-CB 4.11Å; I184-A252 HydrophobicContact CG1-CB 3.9Å
185V50.5Low65.3Low34 Ų3448 Ų4821%0.20628%0.275CS..BIsolated β-bridgetrans-119108.8164.1-177.40000105.5P193 Q195V185-P193 HydrophobicContact CG1-CB 4.41Å; V185-Q195 HydrophobicContact CG2-CG 4.33Å
186Y47.5Very low63.3Low89 Ų8946.6 Ų46.635%0.34927%0.266SS..  trans-70.6141.1167.2-70.9-102.5000108.2I184 I194I184-Y186 HydrophobicContact CB-CE2 4.41Å; I184-Y186 HydrophobicContact CG2-CD2 3.64Å; I184-Y186 HydrophobicContact CG2-CE2 3.53Å; Y186-I194 HydrophobicContact CD2-CB 3.28Å; Y186-I194 HydrophobicContact CD2-CD1 4.44Å; Y186-I194 HydrophobicContact CD2-CG1 4.41Å; Y186-I194 HydrophobicContact CD2-CG2 3.43Å; Y186-I194 VanDerWaalsContact CD2-CG2 3.43Å; Y186-I194 VanDerWaalsContact CD2-O 3.28Å; Y186-I194 WeakPolarHBondContact CD2-O 3.21Å; Y186-I194 HydrophobicContact CE2-CB 3.74Å; Y186-I194 HydrophobicContact CE2-CG2 3.3Å; Y186-I194 HydrophobicContact CG-CB 3.88Å; Y186-I194 HydrophobicContact CG-CD1 4.47Å; Y186-I194 HydrophobicContact CG-CG2 4.4Å; Y186-I194 PolarHBondContact N-O 3.01Å; Y186-I194 VanDerWaalsContact N-O 3.09Å
187P42.4Very low61.7Low79 Ų7948.4 Ų48.451%0.51327%0.274SS..  trans-53146.5178.519.3-30.7000111.4T189P187-T189 PolarHBondContact O-N 2.9Å
188E40.9Very low60.8Low178 Ų17851.1 Ų51.183%0.83229%0.293SS*.THydrogen-bonded Turntrans-54.3-8-169.9-61.3-177162.100116I190E188-I190 PolarHBondContact O-N 2.83Å; E188-I190 VanDerWaalsContact O-N 3.11Å
189T42.1Very low60.4Low131 Ų13151.2 Ų51.280%0.80429%0.294SS*.THydrogen-bonded Turntrans-67.5-8.9-178.954.50000113.9P187P187-T189 PolarHBondContact O-N 2.9Å
190I43.8Very low60.2Low93 Ų9351.2 Ų51.248%0.47729%0.294SS..SBendtrans-119.5105.8168.4-56.3175.6000107.2E188 P192 P193 I194E188-I190 PolarHBondContact O-N 2.83Å; E188-I190 VanDerWaalsContact O-N 3.11Å; I190-P192 CarbonylContact O-C 3.59Å; I190-P193 WeakPolarHBondContact O-CA 3.49Å; I190-I194 HydrophobicContact CG2-CD1 4.41Å
191A38.6Very low60Low92 Ų9252.8 Ų52.876%0.7630%0.301SS*.SBendtrans-87.7130.8174.500000110.3
192P47.8Very low60Low89 Ų8958.5 Ų58.558%0.57833%0.326SS*.SBendcis-74.8150-7.231.7-33.2000111.7I190 I194I190-P192 CarbonylContact O-C 3.59Å; P192-I194 PolarHBondContact O-N 2.96Å; P192-I194 VanDerWaalsContact O-N 3.08Å
193P45.5Very low60.3Low52 Ų5257.3 Ų57.334%0.33832%0.319SS..PPolyproline II helixtrans-51.5121.9175.420-30.5000108.6V185 I190 Q195V185-P193 HydrophobicContact CG1-CB 4.41Å; I190-P193 WeakPolarHBondContact O-CA 3.49Å; P193-Q195 PolarHBondContact O-N 3.2Å
194I46.2Very low61.5Low36 Ų3657.2 Ų57.219%0.18532%0.319CS..PPolyproline II helixtrans-66.9124.6-179.8-63.5165.8000105.9Y186 I190 P192Y186-I194 HydrophobicContact CD2-CB 3.28Å; Y186-I194 HydrophobicContact CD2-CD1 4.44Å; Y186-I194 HydrophobicContact CD2-CG1 4.41Å; Y186-I194 HydrophobicContact CD2-CG2 3.43Å; Y186-I194 VanDerWaalsContact CD2-CG2 3.43Å; Y186-I194 VanDerWaalsContact CD2-O 3.28Å; Y186-I194 WeakPolarHBondContact CD2-O 3.21Å; Y186-I194 HydrophobicContact CE2-CB 3.74Å; Y186-I194 HydrophobicContact CE2-CG2 3.3Å; Y186-I194 HydrophobicContact CG-CB 3.88Å; Y186-I194 HydrophobicContact CG-CD1 4.47Å; Y186-I194 HydrophobicContact CG-CG2 4.4Å; Y186-I194 PolarHBondContact N-O 3.01Å; Y186-I194 VanDerWaalsContact N-O 3.09Å; I190-I194 HydrophobicContact CG2-CD1 4.41Å; P192-I194 PolarHBondContact O-N 2.96Å; P192-I194 VanDerWaalsContact O-N 3.08Å
195Q45.8Very low63Low53 Ų5362.8 Ų62.825%0.24835%0.348CS..BIsolated β-bridgetrans-119.2142.5174-60.7179.1-16.400109.8I184 V185 P193 F213I184-Q195 WeakPolarHBondContact O-CA 3.24Å; I184-Q195 WeakPolarHBondContact O-CB 3.37Å; I184-Q195 WeakPolarHBondContact O-CG 3.44Å; V185-Q195 HydrophobicContact CG2-CG 4.33Å; P193-Q195 PolarHBondContact O-N 3.2Å; Q195-F213 VanDerWaalsContact C-CE1 3.44Å; Q195-F213 HydrophobicContact CB-CD1 3.88Å; Q195-F213 HydrophobicContact CB-CD2 4.04Å; Q195-F213 HydrophobicContact CB-CE1 3.98Å; Q195-F213 HydrophobicContact CB-CE2 4.1Å; Q195-F213 HydrophobicContact CB-CG 3.93Å; Q195-F213 HydrophobicContact CB-CZ 4.07Å; Q195-F213 WeakPolarHBondContact O-CE1 3.24Å; Q195-F213 WeakPolarHBondContact O-CZ 3.37Å
196A51Low64.9Low2 Ų265.9 Ų65.92%0.01736%0.362CS..SBendtrans66.3177.2-174.800000117.5T180 S181 S198 F213T180-A196 HydrophobicContact CG2-CB 3.77Å; S181-A196 WeakPolarHBondContact O-CB 3.32Å; A196-S198 PolarHBondContact O-N 3.24Å; A196-F213 HydrophobicContact CB-CD1 3.96Å; A196-F213 HydrophobicContact CB-CE1 3.69Å
197H62.7Low67Low38 Ų3862.4 Ų62.418%0.17635%0.349CS..  trans-56.9116.2177.8-159.4-69.8000109.1C199 V200 T251H197-C199 PolarHBondContact ND1-SG 3.01Å; H197-C199 PolarHBondContact O-N 3.11Å; H197-V200 PolarHBondContact O-N 3.2Å; H197-T251 PolarHBondContact CD2-OG1 3.02Å; H197-T251 PolarHBondContact NE2-OG1 3.21Å
198S78.3Confident69.4Low61 Ų6161.5 Ų61.543%0.42736%0.355SS..Hα-helixtrans-55.3-18.4-170.758.40000114.4A196 K202A196-S198 PolarHBondContact O-N 3.24Å; S198-K202 WeakPolarHBondContact O-CB 3.3Å; S198-K202 PolarHBondContact O-N 2.86Å
199C88.5Confident71.8Confident2 Ų253.9 Ų53.91%0.01432%0.319CS..Hα-helixtrans-66.2-36.417471.20000113.9S149 H197 K202 A203S149-C199 VanDerWaalsContact OG-CB 3.26Å; S149-C199 WeakPolarHBondContact OG-CB 3.29Å; H197-C199 PolarHBondContact ND1-SG 3.01Å; H197-C199 PolarHBondContact O-N 3.11Å; C199-K202 PolarHBondContact O-N 3.29Å; C199-A203 WeakPolarHBondContact O-CB 3.47Å; C199-A203 PolarHBondContact O-N 3.49Å
200V92.8Very high74.3Confident0 Ų054.2 Ų54.20%031%0.306CS..Hα-helixtrans-70.9-46.1-179.4-172.70000109.8V152 M156 T180 H197 K202 A203 A204 L211 C245V152-V200 HydrophobicContact CG1-CB 4.38Å; V152-V200 HydrophobicContact CG1-CG1 4.47Å; V152-V200 HydrophobicContact CG1-CG2 4.1Å; M156-V200 HydrophobicContact CE-CG1 3.88Å; T180-V200 HydrophobicContact CG2-CG1 4.16Å; H197-V200 PolarHBondContact O-N 3.2Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 3.4Å; V200-A203 PolarHBondContact O-N 2.83Å; V200-A204 PolarHBondContact O-N 3.42Å; V200-L211 HydrophobicContact CG1-CD1 4.01Å; V200-L211 HydrophobicContact CG1-CD2 4.2Å; V200-C245 HydrophobicContact CG1-CB 4.06Å; V200-C245 HydrophobicContact CG2-CB 4.16Å
201Q91Very high76.7Confident32 Ų3251.5 Ų51.515%0.1529%0.292CS..Hα-helixtrans-60.3-44.4173.4-169.2-179.318.200111.3A203 A204 L205 L211 F213Q201-A203 PolarHBondContact O-N 2.61Å; Q201-A204 PolarHBondContact O-N 2.79Å; Q201-L205 HydrophobicContact CG-CD1 4.28Å; Q201-L205 WeakPolarHBondContact O-CB 3.3Å; Q201-L205 VanDerWaalsContact O-CG 3.3Å; Q201-L205 WeakPolarHBondContact O-CG 3.17Å; Q201-L205 PolarHBondContact O-N 2.83Å; Q201-L211 HydrophobicContact CB-CD2 3.97Å; Q201-L211 HydrophobicContact CG-CD2 4.33Å; Q201-F213 HydrophobicContact CG-CZ 4.42Å
202K91.2Very high79.4Confident122 Ų12250.7 Ų50.753%0.5327%0.269SS..Hα-helixtrans-61.5-42175.9-173.4175.8180177.10112.1S198 C199 V200 L205 M206S198-K202 WeakPolarHBondContact O-CB 3.3Å; S198-K202 PolarHBondContact O-N 2.86Å; C199-K202 PolarHBondContact O-N 3.29Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 3.4Å; K202-L205 PolarHBondContact O-N 2.78Å; K202-M206 HydrophobicContact CG-CE 4.09Å; K202-M206 HydrophobicContact CG-SD 4.23Å; K202-M206 VanDerWaalsContact O-CG 3.3Å; K202-M206 WeakPolarHBondContact O-CG 3.2Å; K202-M206 PolarHBondContact O-N 2.99Å
203A91.9Very high81.6Confident1 Ų148.6 Ų48.61%0.00825%0.251CS..Hα-helixtrans-61.3-48.6175.800000111.4V152 Y153 M156 C199 V200 Q201 L205 M206 I207V152-A203 HydrophobicContact CG1-CB 3.98Å; Y153-A203 HydrophobicContact CD2-CB 4.45Å; M156-A203 HydrophobicContact CE-CB 4.13Å; M156-A203 HydrophobicContact SD-CB 3.92Å; C199-A203 WeakPolarHBondContact O-CB 3.47Å; C199-A203 PolarHBondContact O-N 3.49Å; V200-A203 PolarHBondContact O-N 2.83Å; Q201-A203 PolarHBondContact O-N 2.61Å; A203-L205 VanDerWaalsContact C-N 3.32Å; A203-L205 PolarHBondContact O-N 2.89Å; A203-M206 PolarHBondContact O-N 2.86Å; A203-I207 WeakPolarHBondContact O-CB 2.88Å; A203-I207 VanDerWaalsContact O-CG1 3.26Å; A203-I207 WeakPolarHBondContact O-CG1 3.36Å; A203-I207 PolarHBondContact O-N 3.02Å
204A93.2Very high83.9Confident2 Ų246.2 Ų46.22%0.01724%0.236CC..Hα-helixtrans-58.9-42.4177.600000112.4M156 V200 Q201 I207 G208 I209 L211M156-A204 HydrophobicContact CE-CB 4.42Å; M156-A204 HydrophobicContact SD-CB 4.1Å; V200-A204 PolarHBondContact O-N 3.42Å; Q201-A204 PolarHBondContact O-N 2.79Å; A204-I207 PolarHBondContact O-N 3.43Å; A204-G208 PolarHBondContact O-N 2.88Å; A204-I209 HydrophobicContact CB-CD1 4.12Å; A204-I209 HydrophobicContact CB-CG1 3.84Å; A204-I209 WeakPolarHBondContact O-CG1 3.28Å; A204-I209 PolarHBondContact O-N 3.11Å; A204-I209 VanDerWaalsContact O-N 3.08Å; A204-L211 HydrophobicContact CB-CB 3.9Å; A204-L211 HydrophobicContact CB-CD2 4.29Å
205L91.8Very high86Confident132 Ų13251.9 Ų51.969%0.69126%0.261SS*.Hα-helixtrans-62.5-46.5175.3-73.8170.5000112.3Q201 K202 A203 I207 G208Q201-L205 HydrophobicContact CG-CD1 4.28Å; Q201-L205 WeakPolarHBondContact O-CB 3.3Å; Q201-L205 VanDerWaalsContact O-CG 3.3Å; Q201-L205 WeakPolarHBondContact O-CG 3.17Å; Q201-L205 PolarHBondContact O-N 2.83Å; K202-L205 PolarHBondContact O-N 2.78Å; A203-L205 VanDerWaalsContact C-N 3.32Å; A203-L205 PolarHBondContact O-N 2.89Å; L205-I207 VanDerWaalsContact C-N 3.3Å; L205-I207 PolarHBondContact O-N 2.82Å; L205-G208 PolarHBondContact O-N 2.79Å
206M91.1Very high88Confident100 Ų10049.7 Ų49.749%0.49325%0.252SS..Hα-helixtrans-66.8-30.8179.3-69.7-176.5-52.700112.7Y153 K202 A203Y153-M206 HydrophobicContact CD2-CB 4.28Å; Y153-M206 HydrophobicContact CD2-CE 3.6Å; Y153-M206 HydrophobicContact CE2-CB 3.93Å; Y153-M206 HydrophobicContact CE2-CE 4.13Å; Y153-M206 HydrophobicContact CG-CE 4.14Å; K202-M206 HydrophobicContact CG-CE 4.09Å; K202-M206 HydrophobicContact CG-SD 4.23Å; K202-M206 VanDerWaalsContact O-CG 3.3Å; K202-M206 WeakPolarHBondContact O-CG 3.2Å; K202-M206 PolarHBondContact O-N 2.99Å; A203-M206 PolarHBondContact O-N 2.86Å
207I90.4Very high89.9Confident15 Ų1551.6 Ų51.68%0.07726%0.262CS..Hα-helixtrans-84.7-19.4179.7-66.2172.7000112Y153 M156 L157 K160 A203 A204 L205 I209Y153-I207 HydrophobicContact CD2-CD1 3.81Å; Y153-I207 HydrophobicContact CD2-CG1 3.75Å; Y153-I207 HydrophobicContact CE2-CD1 3.99Å; Y153-I207 HydrophobicContact CE2-CG1 3.46Å; Y153-I207 VanDerWaalsContact CE2-CG1 3.46Å; M156-I207 HydrophobicContact CB-CD1 3.7Å; M156-I207 HydrophobicContact CG-CD1 3.6Å; M156-I207 HydrophobicContact SD-CD1 3.75Å; L157-I207 HydrophobicContact CB-CD1 4.03Å; L157-I207 HydrophobicContact CD1-CD1 4.44Å; L157-I207 HydrophobicContact CD1-CG1 4.26Å; L157-I207 HydrophobicContact CD1-CG2 4.31Å; K160-I207 HydrophobicContact CD-CG2 3.34Å; K160-I207 HydrophobicContact CG-CG2 4.48Å; A203-I207 WeakPolarHBondContact O-CB 2.88Å; A203-I207 VanDerWaalsContact O-CG1 3.26Å; A203-I207 WeakPolarHBondContact O-CG1 3.36Å; A203-I207 PolarHBondContact O-N 3.02Å; A204-I207 PolarHBondContact O-N 3.43Å; L205-I207 VanDerWaalsContact C-N 3.3Å; L205-I207 PolarHBondContact O-N 2.82Å; I207-I209 HydrophobicContact CB-CG1 4.36Å; I207-I209 HydrophobicContact CG2-CG1 4.26Å; I207-I209 HydrophobicContact CG2-CG2 3.9Å
208G92.9Very high91Very high61 Ų6159 Ų5963%0.62929%0.294SS*.THydrogen-bonded Turntrans79.336.2179.800000114A204 L205A204-G208 PolarHBondContact O-N 2.88Å; L205-G208 PolarHBondContact O-N 2.79Å
209I91.4Very high91.4Very high17 Ų1758.6 Ų58.69%0.08729%0.291CS..  trans-115.9163.5-178.656.9162.8000112.1M156 K160 F176 A178 A204 I207 F242M156-I209 HydrophobicContact CE-CD1 4.43Å; M156-I209 HydrophobicContact CG-CD1 3.8Å; M156-I209 HydrophobicContact SD-CD1 3.35Å; M156-I209 WeakPolarHBondContact SD-CD1 3.47Å; M156-I209 HydrophobicContact SD-CG1 4.29Å; K160-I209 HydrophobicContact CD-CG2 4.08Å; F176-I209 HydrophobicContact CB-CG2 4.09Å; A178-I209 HydrophobicContact CB-CD1 3.81Å; A204-I209 HydrophobicContact CB-CD1 4.12Å; A204-I209 HydrophobicContact CB-CG1 3.84Å; A204-I209 WeakPolarHBondContact O-CG1 3.28Å; A204-I209 PolarHBondContact O-N 3.11Å; A204-I209 VanDerWaalsContact O-N 3.08Å; I207-I209 HydrophobicContact CB-CG1 4.36Å; I207-I209 HydrophobicContact CG2-CG1 4.26Å; I207-I209 HydrophobicContact CG2-CG2 3.9Å; I209-F242 HydrophobicContact CD1-CE1 3.88Å; I209-F242 HydrophobicContact CD1-CZ 3.48Å; I209-F242 VanDerWaalsContact CD1-CZ 3.48Å; I209-F242 HydrophobicContact CG2-CE1 4.48Å; I209-F242 HydrophobicContact CG2-CZ 4.38Å
210R95.1Very high91.4Very high139 Ų13960.1 Ų60.153%0.52530%0.296SS..EExtended strand (participates in β ladder)trans-76.7141.9171.6-63.4178.9-175.5-11.61.9110.1F176 V177 A178F176-R210 WeakPolarHBondContact O-CB 3.4Å; F176-R210 PolarHBondContact O-N 2.97Å; V177-R210 WeakPolarHBondContact CA-O 3.19Å; V177-R210 HydrophobicContact CB-CB 4.26Å; V177-R210 HydrophobicContact CG2-CB 4.26Å; A178-R210 PolarHBondContact N-O 3.48Å
211L94.7Very high91.3Very high36 Ų3664.4 Ų64.419%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-118.6122.3170.4-174.864.3000108.7A178 T180 V200 Q201 A204 F213A178-L211 HydrophobicContact CB-CD1 3.92Å; A178-L211 WeakPolarHBondContact O-CA 3.47Å; T180-L211 HydrophobicContact CG2-CD1 3.88Å; T180-L211 HydrophobicContact CG2-CD2 3.98Å; T180-L211 HydrophobicContact CG2-CG 4.07Å; V200-L211 HydrophobicContact CG1-CD1 4.01Å; V200-L211 HydrophobicContact CG1-CD2 4.2Å; Q201-L211 HydrophobicContact CB-CD2 3.97Å; Q201-L211 HydrophobicContact CG-CD2 4.33Å; A204-L211 HydrophobicContact CB-CB 3.9Å; A204-L211 HydrophobicContact CB-CD2 4.29Å; L211-F213 HydrophobicContact CD2-CE1 3.86Å; L211-F213 HydrophobicContact CD2-CZ 3.81Å; L211-F213 HydrophobicContact CG-CE1 4.36Å; L211-F213 HydrophobicContact CG-CZ 4.37Å
212R94.6Very high91.5Very high74 Ų7462.9 Ų62.928%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-95.6123.2172.3178.868.3-179.1-135.3-6.3108.8V177 A178 Y179 T180 A230 E233 D234V177-R212 HydrophobicContact CG2-CB 3.85Å; A178-R212 PolarHBondContact O-N 3.47Å; Y179-R212 WeakPolarHBondContact CA-O 3.17Å; Y179-R212 HydrophobicContact CD1-CB 3.71Å; Y179-R212 HydrophobicContact CD1-CG 3.8Å; Y179-R212 HydrophobicContact CE1-CB 3.78Å; Y179-R212 HydrophobicContact CE1-CG 3.78Å; T180-R212 PolarHBondContact N-O 2.97Å; T180-R212 VanDerWaalsContact N-O 3.11Å; R212-A230 HydrophobicContact CG-CB 4.35Å; R212-E233 IonicContact CZ-OE2 3.51Å; R212-E233 IonicContact NH1-OE1 3.82Å; R212-E233 IonicContact NH1-OE2 3.33Å; R212-E233 PolarHBondContact NH1-OE2 2.84Å; R212-E233 IonicContact NH2-OE2 3.14Å; R212-E233 PolarHBondContact NH2-OE2 3.12Å; R212-D234 IonicContact NH1-OD1 3.2Å
213F92.6Very high91.8Very high46 Ų4658 Ų5820%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-81.6122.3166-62-68.4000108.8T180 D182 Q195 A196 Q201 L211T180-F213 HydrophobicContact CG2-CD1 3.62Å; T180-F213 HydrophobicContact CG2-CE1 3.63Å; T180-F213 CarbonylContact O-C 3.53Å; T180-F213 VanDerWaalsContact O-CA 3.32Å; T180-F213 WeakPolarHBondContact O-CA 3.29Å; D182-F213 HydrophobicContact CB-CB 4.01Å; Q195-F213 VanDerWaalsContact C-CE1 3.44Å; Q195-F213 HydrophobicContact CB-CD1 3.88Å; Q195-F213 HydrophobicContact CB-CD2 4.04Å; Q195-F213 HydrophobicContact CB-CE1 3.98Å; Q195-F213 HydrophobicContact CB-CE2 4.1Å; Q195-F213 HydrophobicContact CB-CG 3.93Å; Q195-F213 HydrophobicContact CB-CZ 4.07Å; Q195-F213 WeakPolarHBondContact O-CE1 3.24Å; Q195-F213 WeakPolarHBondContact O-CZ 3.37Å; A196-F213 HydrophobicContact CB-CD1 3.96Å; A196-F213 HydrophobicContact CB-CE1 3.69Å; Q201-F213 HydrophobicContact CG-CZ 4.42Å; L211-F213 HydrophobicContact CD2-CE1 3.86Å; L211-F213 HydrophobicContact CD2-CZ 3.81Å; L211-F213 HydrophobicContact CG-CE1 4.36Å; L211-F213 HydrophobicContact CG-CZ 4.37Å
214V93.9Very high92Very high2 Ų259 Ų591%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-91.3128.2177.1-178.20000107.9Y179 T180 S181 D182 S216 M222 A226 L227 A230Y179-V214 HydrophobicContact CD1-CG2 3.94Å; T180-V214 PolarHBondContact O-N 3.35Å; S181-V214 CarbonylContact C-O 3.42Å; D182-V214 PolarHBondContact N-O 3.03Å; V214-S216 PolarHBondContact O-N 2.77Å; V214-M222 HydrophobicContact CB-CG 4.22Å; V214-M222 HydrophobicContact CB-SD 3.97Å; V214-M222 HydrophobicContact CG1-CG 3.94Å; V214-M222 HydrophobicContact CG1-SD 4.23Å; V214-M222 HydrophobicContact CG2-SD 4.07Å; V214-A226 HydrophobicContact CG1-CB 3.74Å; V214-L227 HydrophobicContact CG2-CD1 4.09Å; V214-A230 HydrophobicContact CG2-CB 4.21Å
215E90.3Very high92.3Very high154 Ų15464.2 Ų64.272%0.7232%0.317SS*.PPolyproline II helixtrans-59.8125.6179.7-172.6177.5176.700110.4
216S89.7Confident92.5Very high8 Ų859.4 Ų59.46%0.05630%0.296CS..PPolyproline II helixtrans-83.8151178.8-56.30000111.9D182 Q183 V214 R221D182-S216 WeakPolarHBondContact OD1-CB 3.23Å; D182-S216 PolarHBondContact OD1-N 2.84Å; D182-S216 PolarHBondContact OD1-OG 3.22Å; Q183-S216 VanDerWaalsContact CG-OG 3.29Å; Q183-S216 WeakPolarHBondContact CG-OG 3.23Å; V214-S216 PolarHBondContact O-N 2.77Å; S216-R221 WeakPolarHBondContact CA-O 3.31Å
217D90.5Very high92.8Very high42 Ų4254.6 Ų54.623%0.22527%0.272CS..  trans-66.6-177.9175.476.50.7000113.2S219 R220 R221 T223D217-S219 PolarHBondContact O-N 3.48Å; D217-S219 VanDerWaalsContact O-N 3.17Å; D217-S219 WeakPolarHBondContact OD1-CA 3.18Å; D217-S219 WeakPolarHBondContact OD1-CB 3.3Å; D217-S219 PolarHBondContact OD1-N 2.67Å; D217-R220 WeakPolarHBondContact O-CA 3.32Å; D217-R220 PolarHBondContact O-N 3.3Å; D217-R220 PolarHBondContact OD1-N 3.43Å; D217-R221 PolarHBondContact N-O 2.85Å; D217-R221 PolarHBondContact OD1-N 2.81Å; D217-R221 IonicContact OD1-NE 3.45Å; D217-R221 IonicContact OD2-CZ 2.97Å; D217-R221 VanDerWaalsContact OD2-CZ 3.3Å; D217-R221 IonicContact OD2-NE 2.61Å; D217-R221 PolarHBondContact OD2-NE 2.8Å; D217-R221 IonicContact OD2-NH2 3.12Å; D217-R221 PolarHBondContact OD2-NH2 3.23Å; D217-T223 HydrophobicContact CB-CG2 4.12Å
218K85.5Confident93.2Very high193 Ų19357.6 Ų57.684%0.83929%0.286SS*.THydrogen-bonded Turntrans-60.4-25.5176.7-66.5-174.8178.9-176.10113.2R220K218-R220 VanDerWaalsContact C-N 3.28Å
219S86.3Confident93.5Very high53 Ų5358.2 Ų58.237%0.37128%0.281SS..THydrogen-bonded Turntrans-89.18174.5-64.60000112.9D217D217-S219 PolarHBondContact O-N 3.48Å; D217-S219 VanDerWaalsContact O-N 3.17Å; D217-S219 WeakPolarHBondContact OD1-CA 3.18Å; D217-S219 WeakPolarHBondContact OD1-CB 3.3Å; D217-S219 PolarHBondContact OD1-N 2.67Å
220R88.4Confident93.8Very high34 Ų3457.6 Ų57.613%0.12828%0.278CS..SBendtrans6340.6179.3-49.6-64.6-175.2-121.64.2112.5Q183 D217 K218 A255 Q441 H491Q183-R220 HydrophobicContact CG-CB 4.49Å; Q183-R220 WeakPolarHBondContact CG-O 3.25Å; Q183-R220 PolarHBondContact NE2-O 3.35Å; Q183-R220 PolarHBondContact OE1-O 3.03Å; D217-R220 WeakPolarHBondContact O-CA 3.32Å; D217-R220 PolarHBondContact O-N 3.3Å; D217-R220 PolarHBondContact OD1-N 3.43Å; K218-R220 VanDerWaalsContact C-N 3.28Å; R220-A255 HydrophobicContact CB-CB 4.08Å; R220-A255 VanDerWaalsContact O-CB 3.23Å; R220-A255 WeakPolarHBondContact O-CB 3.23Å; R220-Q441 VanDerWaalsContact CG-NE2 3.26Å; R220-H491 VanDerWaalsContact CD-NE2 3.26Å; R220-H491 WeakPolarHBondContact CD-NE2 3.21Å; R220-H491 PolarHBondContact NE-CD2 3.2Å; R220-H491 PolarHBondContact NE-NE2 3.47Å; R220-H491 PolarHBondContact NH1-CE1 2.94Å; R220-H491 PolarHBondContact NH1-ND1 2.95Å; R220-H491 VanDerWaalsContact NH2-CG 3.29Å; R220-H491 PolarHBondContact NH2-ND1 2.91Å
221R91.4Very high93.9Very high89 Ų8951.1 Ų51.134%0.33625%0.254SS..  trans-117.9138.8178.9-49.8176.8-63.9162.36.7109.6S216 D217 F256S216-R221 WeakPolarHBondContact CA-O 3.31Å; D217-R221 PolarHBondContact N-O 2.85Å; D217-R221 PolarHBondContact OD1-N 2.81Å; D217-R221 IonicContact OD1-NE 3.45Å; D217-R221 IonicContact OD2-CZ 2.97Å; D217-R221 VanDerWaalsContact OD2-CZ 3.3Å; D217-R221 IonicContact OD2-NE 2.61Å; D217-R221 PolarHBondContact OD2-NE 2.8Å; D217-R221 IonicContact OD2-NH2 3.12Å; D217-R221 PolarHBondContact OD2-NH2 3.23Å; R221-F256 WeakPolarHBondContact CB-O 3.46Å; R221-F256 WeakPolarHBondContact CD-O 3.38Å; R221-F256 WeakPolarHBondContact CG-O 3.28Å
222M94.7Very high94.1Very high0 Ų053.3 Ų53.30%026%0.264CS..  trans-69.8131.4161.9179.217342.500108.8V214 L227 V244 C245 V246 D257 C258 I262V214-M222 HydrophobicContact CB-CG 4.22Å; V214-M222 HydrophobicContact CB-SD 3.97Å; V214-M222 HydrophobicContact CG1-CG 3.94Å; V214-M222 HydrophobicContact CG1-SD 4.23Å; V214-M222 HydrophobicContact CG2-SD 4.07Å; M222-L227 HydrophobicContact CG-CB 4.45Å; M222-L227 HydrophobicContact SD-CB 4.46Å; M222-L227 HydrophobicContact SD-CD1 4.41Å; M222-V244 HydrophobicContact CE-CG1 4.31Å; M222-C245 WeakPolarHBondContact CE-O 3.08Å; M222-V246 HydrophobicContact CE-CG2 3.93Å; M222-D257 HydrophobicContact CB-CB 4.09Å; M222-D257 WeakPolarHBondContact CB-OD1 3.41Å; M222-D257 HydrophobicContact CE-CB 4.27Å; M222-D257 WeakPolarHBondContact CE-OD2 3.49Å; M222-D257 PolarHBondContact N-OD1 3.05Å; M222-C258 PolarHBondContact O-N 2.96Å; M222-I262 HydrophobicContact CB-CD1 4.19Å; M222-I262 HydrophobicContact CE-CD1 3.98Å; M222-I262 HydrophobicContact CG-CD1 3.82Å; M222-I262 WeakPolarHBondContact O-CD1 3.19Å; M222-I262 HydrophobicContact SD-CD1 4.36Å
223T96.7Very high94.2Very high21 Ų2153.3 Ų53.313%0.12927%0.267CS..  trans-108.2165.6174.881.70000110.8D217 E225 A226 L227D217-T223 HydrophobicContact CB-CG2 4.12Å; T223-E225 VanDerWaalsContact C-N 3.33Å; T223-E225 WeakPolarHBondContact CB-OE2 3.45Å; T223-E225 PolarHBondContact O-N 3.38Å; T223-E225 PolarHBondContact OG1-N 3.44Å; T223-E225 PolarHBondContact OG1-OE2 2.99Å; T223-A226 PolarHBondContact OG1-N 3.33Å; T223-L227 WeakPolarHBondContact O-CB 3.43Å; T223-L227 PolarHBondContact O-N 2.94Å; T223-L227 VanDerWaalsContact O-N 3.15Å
224S97.7Very high94.5Very high22 Ų2251.4 Ų51.415%0.15426%0.259CS..Hα-helixtrans-64.9-36.417766.40000112.6L227 Q228 L265S224-L227 PolarHBondContact O-N 3.01Å; S224-Q228 VanDerWaalsContact O-CB 3.24Å; S224-Q228 WeakPolarHBondContact O-CB 3.46Å; S224-Q228 PolarHBondContact O-N 2.87Å; S224-L265 VanDerWaalsContact O-CD2 3.32Å; S224-L265 WeakPolarHBondContact O-CD2 3.28Å
225E97.8Very high94.6Very high111 Ų11155.6 Ų55.652%0.51928%0.277SS..Hα-helixtrans-67.3-43.3-179.1-56.680.9-177.500111.9T223 Q228 S229T223-E225 VanDerWaalsContact C-N 3.33Å; T223-E225 WeakPolarHBondContact CB-OE2 3.45Å; T223-E225 PolarHBondContact O-N 3.38Å; T223-E225 PolarHBondContact OG1-N 3.44Å; T223-E225 PolarHBondContact OG1-OE2 2.99Å; E225-Q228 PolarHBondContact O-N 3.23Å; E225-S229 WeakPolarHBondContact O-CB 3.33Å; E225-S229 PolarHBondContact O-N 3.36Å; E225-S229 PolarHBondContact O-OG 2.9Å
226A96.9Very high94.9Very high30 Ų3056.5 Ų56.525%0.24828%0.278CS..Hα-helixtrans-65.3-43.817700000111V214 T223 S229 A230V214-A226 HydrophobicContact CG1-CB 3.74Å; T223-A226 PolarHBondContact OG1-N 3.33Å; A226-S229 PolarHBondContact O-N 2.84Å; A226-A230 PolarHBondContact O-N 2.55Å
227L98.1Very high95.2Very high0 Ų061.9 Ų61.90%030%0.3CS..Hα-helixtrans-63.5-46.3175.8176.460.4000111.5Y179 V214 M222 T223 S224 S229 A230 V231 V244 I262 L265Y179-L227 HydrophobicContact CD1-CD1 3.97Å; Y179-L227 HydrophobicContact CD2-CD1 4.48Å; Y179-L227 HydrophobicContact CG-CD1 3.8Å; V214-L227 HydrophobicContact CG2-CD1 4.09Å; M222-L227 HydrophobicContact CG-CB 4.45Å; M222-L227 HydrophobicContact SD-CB 4.46Å; M222-L227 HydrophobicContact SD-CD1 4.41Å; T223-L227 WeakPolarHBondContact O-CB 3.43Å; T223-L227 PolarHBondContact O-N 2.94Å; T223-L227 VanDerWaalsContact O-N 3.15Å; S224-L227 PolarHBondContact O-N 3.01Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.84Å; L227-A230 PolarHBondContact O-N 3.06Å; L227-V231 HydrophobicContact CD1-CG2 3.98Å; L227-V231 HydrophobicContact CG-CG2 4.34Å; L227-V231 WeakPolarHBondContact O-CB 3.39Å; L227-V231 VanDerWaalsContact O-CG2 3.27Å; L227-V231 WeakPolarHBondContact O-CG2 3.22Å; L227-V231 PolarHBondContact O-N 2.74Å; L227-V244 HydrophobicContact CD1-CG1 4.41Å; L227-V244 HydrophobicContact CD1-CG2 4.22Å; L227-V244 HydrophobicContact CD2-CG1 3.89Å; L227-V244 HydrophobicContact CD2-CG2 4.16Å; L227-I262 HydrophobicContact CD2-CG1 4.33Å; L227-I262 HydrophobicContact CD2-CG2 3.69Å; L227-L265 HydrophobicContact CB-CD2 4.16Å; L227-L265 HydrophobicContact CD2-CD2 3.96Å; L227-L265 HydrophobicContact CG-CD2 3.97Å
228Q98.3Very high95.4Very high78 Ų7861.9 Ų61.936%0.36431%0.311SS..Hα-helixtrans-58.9-46.2178.1-179.1172.94.700111S224 E225 A230 V231 E232 L265S224-Q228 VanDerWaalsContact O-CB 3.24Å; S224-Q228 WeakPolarHBondContact O-CB 3.46Å; S224-Q228 PolarHBondContact O-N 2.87Å; E225-Q228 PolarHBondContact O-N 3.23Å; Q228-A230 VanDerWaalsContact C-N 3.34Å; Q228-A230 PolarHBondContact O-N 3.09Å; Q228-V231 PolarHBondContact O-N 3.08Å; Q228-E232 HydrophobicContact CG-CG 4.39Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.19Å; Q228-E232 PolarHBondContact NE2-OE1 3.39Å; Q228-E232 WeakPolarHBondContact O-CB 3.48Å; Q228-E232 WeakPolarHBondContact O-CG 3.4Å; Q228-E232 PolarHBondContact O-N 3.32Å; Q228-L265 HydrophobicContact CB-CD1 4.29Å; Q228-L265 HydrophobicContact CB-CD2 3.9Å; Q228-L265 HydrophobicContact CG-CD1 4.42Å
229S98Very high95.9Very high73 Ų7354.2 Ų54.251%0.5128%0.279SS..Hα-helixtrans-59.2-44.7177.8-59.90000111.7E225 A226 L227 E232 E233E225-S229 WeakPolarHBondContact O-CB 3.33Å; E225-S229 PolarHBondContact O-N 3.36Å; E225-S229 PolarHBondContact O-OG 2.9Å; A226-S229 PolarHBondContact O-N 2.84Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.84Å; S229-E232 PolarHBondContact O-N 3.4Å; S229-E233 WeakPolarHBondContact O-CB 3.49Å; S229-E233 PolarHBondContact O-N 3.48Å
230A97.7Very high96.4Very high5 Ų553 Ų534%0.04127%0.268CS..Hα-helixtrans-64.3-44176.900000112.4Y179 R212 V214 A226 L227 Q228 E232 E233 D234Y179-A230 HydrophobicContact CD1-CB 4.28Å; Y179-A230 HydrophobicContact CE1-CB 4.05Å; R212-A230 HydrophobicContact CG-CB 4.35Å; V214-A230 HydrophobicContact CG2-CB 4.21Å; A226-A230 PolarHBondContact O-N 2.55Å; L227-A230 PolarHBondContact O-N 3.06Å; Q228-A230 VanDerWaalsContact C-N 3.34Å; Q228-A230 PolarHBondContact O-N 3.09Å; A230-E232 PolarHBondContact O-N 2.96Å; A230-E233 PolarHBondContact O-N 3.35Å; A230-D234 WeakPolarHBondContact O-CB 3.36Å; A230-D234 PolarHBondContact O-N 3.15Å
231V98.2Very high96.8Very high3 Ų352.2 Ų52.22%0.01827%0.267CS..Hα-helixtrans-60.8-43.5176.7166.70000111.1Y179 L227 Q228 K235 P241 L271Y179-V231 HydrophobicContact CD1-CG2 4.44Å; Y179-V231 HydrophobicContact CD2-CG2 4.35Å; Y179-V231 HydrophobicContact CE1-CG2 4.03Å; Y179-V231 HydrophobicContact CE2-CG2 3.95Å; L227-V231 HydrophobicContact CD1-CG2 3.98Å; L227-V231 HydrophobicContact CG-CG2 4.34Å; L227-V231 WeakPolarHBondContact O-CB 3.39Å; L227-V231 VanDerWaalsContact O-CG2 3.27Å; L227-V231 WeakPolarHBondContact O-CG2 3.22Å; L227-V231 PolarHBondContact O-N 2.74Å; Q228-V231 PolarHBondContact O-N 3.08Å; V231-K235 HydrophobicContact CG1-CD 4.14Å; V231-K235 WeakPolarHBondContact O-CB 3.47Å; V231-K235 VanDerWaalsContact O-CG 3.26Å; V231-K235 WeakPolarHBondContact O-CG 3.38Å; V231-K235 PolarHBondContact O-N 3.01Å; V231-P241 HydrophobicContact CG1-CB 4.2Å; V231-P241 HydrophobicContact CG1-CG 3.95Å; V231-L271 HydrophobicContact CG2-CD1 4.05Å
232E98Very high96.9Very high82 Ų8248.4 Ų48.438%0.38325%0.253SS..Hα-helixtrans-68.1-40.2178.2-73.3178.2-170.500112.6Q228 S229 A230 K235 K236Q228-E232 HydrophobicContact CG-CG 4.39Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.19Å; Q228-E232 PolarHBondContact NE2-OE1 3.39Å; Q228-E232 WeakPolarHBondContact O-CB 3.48Å; Q228-E232 WeakPolarHBondContact O-CG 3.4Å; Q228-E232 PolarHBondContact O-N 3.32Å; S229-E232 PolarHBondContact O-N 3.4Å; A230-E232 PolarHBondContact O-N 2.96Å; E232-K235 PolarHBondContact O-N 3.11Å; E232-K236 VanDerWaalsContact O-CG 3.27Å; E232-K236 WeakPolarHBondContact O-CG 3.49Å; E232-K236 PolarHBondContact O-N 3.28Å
233E98Very high96.9Very high74 Ų7448.4 Ų48.435%0.34625%0.253SS..Hα-helixtrans-60.7-46.4175.3-169.3-164.1152.400111.3R212 S229 A230 K236 K237R212-E233 IonicContact CZ-OE2 3.51Å; R212-E233 IonicContact NH1-OE1 3.82Å; R212-E233 IonicContact NH1-OE2 3.33Å; R212-E233 PolarHBondContact NH1-OE2 2.84Å; R212-E233 IonicContact NH2-OE2 3.14Å; R212-E233 PolarHBondContact NH2-OE2 3.12Å; S229-E233 WeakPolarHBondContact O-CB 3.49Å; S229-E233 PolarHBondContact O-N 3.48Å; A230-E233 PolarHBondContact O-N 3.35Å; E233-K236 WeakPolarHBondContact O-CB 3.41Å; E233-K236 PolarHBondContact O-N 2.86Å; E233-K237 WeakPolarHBondContact O-CG 3.17Å; E233-K237 PolarHBondContact O-N 2.66Å; E233-K237 WeakPolarHBondContact OE1-CE 3.41Å; E233-K237 IonicContact OE1-NZ 2.63Å; E233-K237 PolarHBondContact OE1-NZ 3.27Å
234D97.6Very high96.9Very high6 Ų647.4 Ų47.43%0.03225%0.247CC..Hα-helixtrans-70.6-37.6-179.6-73.5-25.4000112V177 Y179 R212 A230 K236 K237 G238 L239V177-D234 HydrophobicContact CG1-CB 4.24Å; Y179-D234 VanDerWaalsContact CE1-OD2 3.3Å; Y179-D234 WeakPolarHBondContact CE1-OD2 3.21Å; Y179-D234 VanDerWaalsContact OH-CB 3.29Å; Y179-D234 WeakPolarHBondContact OH-CB 3.33Å; Y179-D234 PolarHBondContact OH-OD2 3.03Å; R212-D234 IonicContact NH1-OD1 3.2Å; A230-D234 WeakPolarHBondContact O-CB 3.36Å; A230-D234 PolarHBondContact O-N 3.15Å; D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 3.4Å; D234-K237 CarbonylContact O-C 3.55Å; D234-K237 WeakPolarHBondContact O-CA 3.42Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.42Å; D234-G238 PolarHBondContact O-N 2.94Å; D234-L239 HydrophobicContact CB-CB 4.1Å; D234-L239 HydrophobicContact CB-CD1 3.96Å; D234-L239 VanDerWaalsContact O-CB 3.31Å; D234-L239 WeakPolarHBondContact O-CB 3.27Å; D234-L239 PolarHBondContact O-N 3.33Å
235K96.7Very high96.9Very high90 Ų9046.3 Ų46.339%0.39124%0.239SC..Hα-helixtrans-58.9-41.7170.8-78.3177.4177.9-172.40111.8V231 E232 K237 G238 P241V231-K235 HydrophobicContact CG1-CD 4.14Å; V231-K235 WeakPolarHBondContact O-CB 3.47Å; V231-K235 VanDerWaalsContact O-CG 3.26Å; V231-K235 WeakPolarHBondContact O-CG 3.38Å; V231-K235 PolarHBondContact O-N 3.01Å; E232-K235 PolarHBondContact O-N 3.11Å; K235-K237 PolarHBondContact O-N 3.13Å; K235-G238 PolarHBondContact O-N 3.34Å; K235-P241 HydrophobicContact CD-CG 4.41Å; K235-P241 HydrophobicContact CG-CG 3.8Å
236K97.1Very high96.8Very high173 Ų17341 Ų4175%0.75222%0.215SC*.Hα-helixtrans-62.8-27.6175.5-72.9166.8-173.9168.10112.6E232 E233 D234 G238E232-K236 VanDerWaalsContact O-CG 3.27Å; E232-K236 WeakPolarHBondContact O-CG 3.49Å; E232-K236 PolarHBondContact O-N 3.28Å; E233-K236 WeakPolarHBondContact O-CB 3.41Å; E233-K236 PolarHBondContact O-N 2.86Å; D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 3.4Å; K236-G238 VanDerWaalsContact C-N 3.26Å; K236-G238 PolarHBondContact O-N 3.21Å
237K96.1Very high96.8Very high120 Ų12039.9 Ų39.952%0.52220%0.204SC..THydrogen-bonded Turntrans-82.94.1173.6-64.8171.1-173166.90113.7E233 D234 K235 L239E233-K237 WeakPolarHBondContact O-CG 3.17Å; E233-K237 PolarHBondContact O-N 2.66Å; E233-K237 WeakPolarHBondContact OE1-CE 3.41Å; E233-K237 IonicContact OE1-NZ 2.63Å; E233-K237 PolarHBondContact OE1-NZ 3.27Å; D234-K237 CarbonylContact O-C 3.55Å; D234-K237 WeakPolarHBondContact O-CA 3.42Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.42Å; K235-K237 PolarHBondContact O-N 3.13Å; K237-L239 VanDerWaalsContact C-N 3.28Å; K237-L239 HydrophobicContact CB-CG 4.29Å; K237-L239 PolarHBondContact O-N 3.29Å
238G94.4Very high96.7Very high43 Ų4340 Ų4044%0.44321%0.205SC..THydrogen-bonded Turntrans77.510.1-177.500000114.4D234 K235 K236D234-G238 PolarHBondContact O-N 2.94Å; K235-G238 PolarHBondContact O-N 3.34Å; K236-G238 VanDerWaalsContact C-N 3.26Å; K236-G238 PolarHBondContact O-N 3.21Å
239L96Very high96.5Very high32 Ų3236.6 Ų36.617%0.16819%0.19CC..  trans-76.8164.1174.7-56.9178000111S175 V177 D234 K237 P241S175-L239 CarbonylContact O-C 3.51Å; S175-L239 WeakPolarHBondContact O-CA 3.36Å; V177-L239 HydrophobicContact CG1-CB 3.94Å; D234-L239 HydrophobicContact CB-CB 4.1Å; D234-L239 HydrophobicContact CB-CD1 3.96Å; D234-L239 VanDerWaalsContact O-CB 3.31Å; D234-L239 WeakPolarHBondContact O-CB 3.27Å; D234-L239 PolarHBondContact O-N 3.33Å; K237-L239 VanDerWaalsContact C-N 3.28Å; K237-L239 HydrophobicContact CB-CG 4.29Å; K237-L239 PolarHBondContact O-N 3.29Å; L239-P241 WeakPolarHBondContact O-CD 2.93Å
240I95.6Very high96.3Very high27 Ų2733.3 Ų33.314%0.13817%0.168CC..EExtended strand (participates in β ladder)trans-121.495.7-174.5-51.4169.2000108.5L167 K171 S175 F176 V177 F242L167-I240 HydrophobicContact CD2-CD1 3.36Å; K171-I240 HydrophobicContact CB-CD1 3.91Å; K171-I240 HydrophobicContact CD-CD1 3.51Å; K171-I240 HydrophobicContact CD-CG1 3.95Å; K171-I240 HydrophobicContact CG-CD1 4.25Å; S175-I240 PolarHBondContact O-N 3.07Å; F176-I240 WeakPolarHBondContact CA-O 3.43Å; F176-I240 HydrophobicContact CD1-CB 3.79Å; F176-I240 HydrophobicContact CD1-CD1 4.24Å; F176-I240 HydrophobicContact CD1-CG2 3.84Å; F176-I240 HydrophobicContact CE1-CB 4.18Å; F176-I240 HydrophobicContact CE1-CD1 4.1Å; F176-I240 HydrophobicContact CE1-CG2 3.83Å; V177-I240 PolarHBondContact N-O 3.04Å; I240-F242 PolarHBondContact O-N 3.45Å
241P97.2Very high95.9Very high17 Ų1735 Ų3511%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-58.8131.1169.7-2738.3000110.7V177 Y179 V231 K235 L239 L271V177-P241 HydrophobicContact CG1-CG 4.23Å; Y179-P241 HydrophobicContact CE2-CB 3.68Å; Y179-P241 HydrophobicContact CE2-CG 4.24Å; Y179-P241 WeakPolarHBondContact OH-CG 3.26Å; V231-P241 HydrophobicContact CG1-CB 4.2Å; V231-P241 HydrophobicContact CG1-CG 3.95Å; K235-P241 HydrophobicContact CD-CG 4.41Å; K235-P241 HydrophobicContact CG-CG 3.8Å; L239-P241 WeakPolarHBondContact O-CD 2.93Å; P241-L271 VanDerWaalsContact C-CD2 3.45Å; P241-L271 HydrophobicContact CB-CD2 3.49Å; P241-L271 VanDerWaalsContact CB-CD2 3.49Å; P241-L271 WeakPolarHBondContact O-CD2 3.39Å
242F93.9Very high95.4Very high9 Ų935 Ų354%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-143.4-19.7179.880.6-78.1000115.5M156 A159 K160 A163 F176 V177 A178 I209 I240 W272M156-F242 HydrophobicContact CG-CZ 4.4Å; A159-F242 HydrophobicContact CB-CD2 3.88Å; A159-F242 HydrophobicContact CB-CE2 3.92Å; K160-F242 HydrophobicContact CB-CE2 3.82Å; K160-F242 HydrophobicContact CB-CZ 4.32Å; A163-F242 HydrophobicContact CB-CB 3.74Å; A163-F242 HydrophobicContact CB-CD2 4.13Å; A163-F242 HydrophobicContact CB-CG 4.14Å; F176-F242 HydrophobicContact CB-CD1 3.75Å; F176-F242 HydrophobicContact CB-CE1 3.69Å; F176-F242 HydrophobicContact CD1-CD1 4.2Å; F176-F242 HydrophobicContact CD1-CG 4.47Å; F176-F242 HydrophobicContact CG-CD1 4.1Å; F176-F242 HydrophobicContact CG-CE1 4.33Å; V177-F242 VanDerWaalsContact O-CD1 3.25Å; V177-F242 WeakPolarHBondContact O-CD1 3.36Å; V177-F242 PolarHBondContact O-N 2.96Å; A178-F242 HydrophobicContact CB-CE1 4.11Å; A178-F242 HydrophobicContact CB-CZ 4.32Å; I209-F242 HydrophobicContact CD1-CE1 3.88Å; I209-F242 HydrophobicContact CD1-CZ 3.48Å; I209-F242 VanDerWaalsContact CD1-CZ 3.48Å; I209-F242 HydrophobicContact CG2-CE1 4.48Å; I209-F242 HydrophobicContact CG2-CZ 4.38Å; I240-F242 PolarHBondContact O-N 3.45Å; F242-W272 WeakPolarHBondContact O-CB 3.31Å; F242-W272 PolarHBondContact O-N 2.78Å
243F94.6Very high95.1Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-144.7138.4-173.1-178.6-91.4000111.9S155 M156 A159 A178 Y179 C245 W272 H274S155-F243 WeakPolarHBondContact OG-CE2 3.42Å; M156-F243 HydrophobicContact CB-CD2 4.33Å; M156-F243 HydrophobicContact CB-CE1 4.26Å; M156-F243 HydrophobicContact CB-CE2 3.99Å; M156-F243 HydrophobicContact CB-CZ 3.95Å; M156-F243 HydrophobicContact CE-CD1 3.86Å; M156-F243 HydrophobicContact CE-CE1 3.57Å; M156-F243 HydrophobicContact CE-CZ 4.3Å; M156-F243 HydrophobicContact CG-CD1 4.29Å; M156-F243 HydrophobicContact CG-CD2 4.49Å; M156-F243 HydrophobicContact CG-CE1 4.37Å; M156-F243 HydrophobicContact CG-CG 4.33Å; A159-F243 HydrophobicContact CB-CB 4.32Å; A159-F243 HydrophobicContact CB-CD2 3.57Å; A159-F243 HydrophobicContact CB-CE2 4.37Å; A159-F243 HydrophobicContact CB-CG 4.4Å; A178-F243 CarbonylContact C-O 3.57Å; A178-F243 VanDerWaalsContact CA-O 3.31Å; A178-F243 WeakPolarHBondContact CA-O 3.29Å; A178-F243 HydrophobicContact CB-CB 4.07Å; A178-F243 HydrophobicContact CB-CD1 3.95Å; A178-F243 HydrophobicContact CB-CG 4.46Å; Y179-F243 WeakPolarHBondContact CD2-O 3.13Å; Y179-F243 PolarHBondContact N-O 3.33Å; F243-C245 HydrophobicContact CE1-CB 3.89Å; F243-W272 CarbonylContact C-O 3.58Å; F243-W272 WeakPolarHBondContact CA-O 3.18Å; F243-W272 HydrophobicContact CD2-CB 4.1Å; F243-W272 AromaticContact CD2-CD1 3.48Å; F243-W272 VanDerWaalsContact CD2-CD1 3.48Å; F243-W272 HydrophobicContact CD2-CG 4.03Å; F243-W272 AromaticContact CE2-CD1 3.47Å; F243-W272 VanDerWaalsContact CE2-CD1 3.47Å; F243-W272 HydrophobicContact CE2-CG 4.41Å; F243-W272 AromaticContact CE2-NE1 3.95Å; F243-H274 HydrophobicContact CE1-CB 4.37Å; F243-H274 HydrophobicContact CE2-CB 3.71Å; F243-H274 HydrophobicContact CZ-CB 3.43Å; F243-H274 VanDerWaalsContact CZ-CB 3.43Å
244V97.1Very high94.9Very high0 Ų028 Ų280%015%0.145CC..EExtended strand (participates in β ladder)trans-129127.3174.2-177.60000108.8Y179 M222 L227 V246 I262 L271 W272 L273 H274Y179-V244 HydrophobicContact CD2-CG2 4.28Å; M222-V244 HydrophobicContact CE-CG1 4.31Å; L227-V244 HydrophobicContact CD1-CG1 4.41Å; L227-V244 HydrophobicContact CD1-CG2 4.22Å; L227-V244 HydrophobicContact CD2-CG1 3.89Å; L227-V244 HydrophobicContact CD2-CG2 4.16Å; V244-V246 HydrophobicContact CG1-CG2 4.44Å; V244-I262 HydrophobicContact CG1-CG2 4.29Å; V244-L271 HydrophobicContact CG2-CB 4.05Å; V244-L271 HydrophobicContact CG2-CD1 3.75Å; V244-W272 PolarHBondContact N-O 3.15Å; V244-L273 HydrophobicContact CB-CD1 4.3Å; V244-L273 HydrophobicContact CG1-CD1 4.28Å; V244-H274 PolarHBondContact O-N 2.65Å
245C96.8Very high94.6Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-100.5111.4168.8-1690000109.6Y179 V200 M222 F243 H274Y179-C245 PolarHBondContact O-N 3.37Å; V200-C245 HydrophobicContact CG1-CB 4.06Å; V200-C245 HydrophobicContact CG2-CB 4.16Å; M222-C245 WeakPolarHBondContact CE-O 3.08Å; F243-C245 HydrophobicContact CE1-CB 3.89Å; C245-H274 WeakPolarHBondContact CA-O 3.17Å
246V96.9Very high94.6Very high0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-90.5131.8168.9154.10000108.7M222 V244 L248 D257 L259 I262 L273 H274 V275 D276M222-V246 HydrophobicContact CE-CG2 3.93Å; V244-V246 HydrophobicContact CG1-CG2 4.44Å; V246-L248 HydrophobicContact CG1-CD2 3.98Å; V246-L248 HydrophobicContact CG1-CG 4.22Å; V246-D257 HydrophobicContact CG1-CB 4.05Å; V246-D257 HydrophobicContact CG2-CB 4.41Å; V246-L259 HydrophobicContact CG1-CB 4.17Å; V246-L259 HydrophobicContact CG1-CD1 4.14Å; V246-I262 HydrophobicContact CG2-CB 4.24Å; V246-I262 HydrophobicContact CG2-CD1 3.89Å; V246-I262 HydrophobicContact CG2-CG2 3.64Å; V246-L273 HydrophobicContact CB-CD1 4.12Å; V246-L273 HydrophobicContact CG2-CD1 3.74Å; V246-H274 PolarHBondContact N-O 3.11Å; V246-V275 HydrophobicContact CB-CG2 4.42Å; V246-V275 HydrophobicContact CG1-CG2 4.32Å; V246-V275 CarbonylContact O-C 3.22Å; V246-V275 WeakPolarHBondContact O-CA 3.31Å; V246-D276 PolarHBondContact O-N 2.89Å
247T96Very high94.5Very high5 Ų517 Ų173%0.03110%0.099CC..EExtended strand (participates in β ladder)trans-107.7125.8176-45.70000110.8T250 D257 D276T247-T250 HydrophobicContact CG2-CG2 3.48Å; T247-T250 VanDerWaalsContact CG2-CG2 3.48Å; T247-D257 PolarHBondContact N-OD2 2.74Å; T247-D257 PolarHBondContact O-N 2.93Å; T247-D257 VanDerWaalsContact O-N 3.11Å; T247-D276 WeakPolarHBondContact CA-O 3.32Å
248L96.3Very high94.5Very high4 Ų411.8 Ų11.82%0.0218%0.078CC..BIsolated β-bridgetrans-108.6102.7174.5-57.9180000109.1V246 F256 L259 V275 D276 A277 A280 I292 F293V246-L248 HydrophobicContact CG1-CD2 3.98Å; V246-L248 HydrophobicContact CG1-CG 4.22Å; L248-F256 HydrophobicContact CB-CD1 4.06Å; L248-F256 HydrophobicContact CB-CE1 4.48Å; L248-F256 HydrophobicContact CD2-CD1 4.35Å; L248-L259 HydrophobicContact CD1-CD2 4.06Å; L248-L259 HydrophobicContact CD2-CB 4.28Å; L248-V275 HydrophobicContact CD1-CG1 3.4Å; L248-V275 HydrophobicContact CG-CG1 3.8Å; L248-D276 PolarHBondContact N-O 2.91Å; L248-A277 HydrophobicContact CB-CB 4.09Å; L248-A277 HydrophobicContact CD1-CB 4.4Å; L248-A280 VanDerWaalsContact O-CB 3.31Å; L248-A280 WeakPolarHBondContact O-CB 3.41Å; L248-I292 HydrophobicContact CB-CG2 4.11Å; L248-I292 HydrophobicContact CD1-CG2 4.08Å; L248-I292 VanDerWaalsContact CD1-O 3.28Å; L248-I292 WeakPolarHBondContact CD1-O 3.34Å; L248-F293 HydrophobicContact CD1-CD1 4.13Å; L248-F293 HydrophobicContact CD1-CE1 4.46Å
249G94.3Very high94.7Very high5 Ų59.8 Ų9.85%0.0526%0.057CC..SBendtrans87.169.4-175.500000112.4A255G249-A255 CarbonylContact C-O 3.56Å; G249-A255 WeakPolarHBondContact CA-O 3.28Å; G249-A255 PolarHBondContact N-O 2.83Å
250T92.9Very high94.7Very high5 Ų511 Ų113%0.0317%0.067CC..  trans-70.2155.1-17367.10000113.7F80 Q183 T247 A252 C254 A255F80-T250 WeakPolarHBondContact CZ-O 3.44Å; Q183-T250 VanDerWaalsContact NE2-CG2 3.29Å; Q183-T250 PolarHBondContact OE1-OG1 2.99Å; T247-T250 HydrophobicContact CG2-CG2 3.48Å; T247-T250 VanDerWaalsContact CG2-CG2 3.48Å; T250-A252 PolarHBondContact O-N 3.4Å; T250-C254 WeakPolarHBondContact O-CA 3.47Å; T250-C254 PolarHBondContact O-N 2.99Å; T250-A255 HydrophobicContact CG2-CB 4.46Å; T250-A255 VanDerWaalsContact CG2-O 3.31Å; T250-A255 WeakPolarHBondContact CG2-O 3.41Å; T250-A255 PolarHBondContact N-O 3.26Å; T250-A255 PolarHBondContact OG1-N 2.76Å
251T90.7Very high94.8Very high40 Ų4014 Ų1425%0.2458%0.08CC..THydrogen-bonded Turntrans-61.7-40.7-168.4-600000114.2F80 H197 R497F80-T251 HydrophobicContact CE2-CG2 4.32Å; H197-T251 PolarHBondContact CD2-OG1 3.02Å; H197-T251 PolarHBondContact NE2-OG1 3.21Å; T251-R497 PolarHBondContact O-NE 3.47Å; T251-R497 VanDerWaalsContact O-NE 3.09Å; T251-R497 PolarHBondContact O-NH2 3.24Å
252A88.3Confident94.9Very high2 Ų213.1 Ų13.12%0.0178%0.075CC..THydrogen-bonded Turntrans-77.4-44.9-172.200000112.8I184 T250 V488 L490 R497I184-A252 HydrophobicContact CD1-CB 4.11Å; I184-A252 HydrophobicContact CG1-CB 3.9Å; T250-A252 PolarHBondContact O-N 3.4Å; A252-V488 HydrophobicContact CB-CB 4.27Å; A252-V488 HydrophobicContact CB-CG1 4.35Å; A252-V488 HydrophobicContact CB-CG2 4.35Å; A252-L490 HydrophobicContact CB-CD2 3.56Å; A252-R497 WeakPolarHBondContact O-CD 3.12Å; A252-R497 PolarHBondContact O-NE 3.24Å
253C90.2Very high95Very high6 Ų612.7 Ų12.74%0.0417%0.073CC..THydrogen-bonded Turntrans-134.38.2-174.156.90000115.3A255 Q441 L490C253-A255 VanDerWaalsContact C-N 3.28Å; C253-A255 PolarHBondContact O-N 2.66Å; C253-Q441 HydrophobicContact CB-CB 4.35Å; C253-Q441 HydrophobicContact CB-CG 3.85Å; C253-L490 HydrophobicContact CB-CD1 3.87Å; C253-L490 HydrophobicContact CB-CD2 4.26Å
254C93.5Very high95Very high3 Ų315.4 Ų15.42%0.029%0.091CC..  trans56.641.2-175.5-162.90000112.5T250 F256 V447T250-C254 WeakPolarHBondContact O-CA 3.47Å; T250-C254 PolarHBondContact O-N 2.99Å; C254-F256 VanDerWaalsContact O-CD2 3.32Å; C254-F256 WeakPolarHBondContact O-CD2 3.47Å; C254-F256 WeakPolarHBondContact O-CE2 3.26Å; C254-V447 HydrophobicContact CB-CB 4.1Å; C254-V447 HydrophobicContact CB-CG1 4.44Å; C254-V447 HydrophobicContact CB-CG2 4.06Å
255A92.9Very high95Very high9 Ų916.2 Ų16.27%0.07410%0.095CC..  trans-76.7163.6172.500000111.3R220 G249 T250 C253R220-A255 HydrophobicContact CB-CB 4.08Å; R220-A255 VanDerWaalsContact O-CB 3.23Å; R220-A255 WeakPolarHBondContact O-CB 3.23Å; G249-A255 CarbonylContact C-O 3.56Å; G249-A255 WeakPolarHBondContact CA-O 3.28Å; G249-A255 PolarHBondContact N-O 2.83Å; T250-A255 HydrophobicContact CG2-CB 4.46Å; T250-A255 VanDerWaalsContact CG2-O 3.31Å; T250-A255 WeakPolarHBondContact CG2-O 3.41Å; T250-A255 PolarHBondContact N-O 3.26Å; T250-A255 PolarHBondContact OG1-N 2.76Å; C253-A255 VanDerWaalsContact C-N 3.28Å; C253-A255 PolarHBondContact O-N 2.66Å
256F95.2Very high94.9Very high24 Ų2416.3 Ų16.311%0.10510%0.095CC..BIsolated β-bridgetrans-130.7113.7-176-63.5-98.3000108.8R221 L248 C254 A280 W291 I292 V444 L445R221-F256 WeakPolarHBondContact CB-O 3.46Å; R221-F256 WeakPolarHBondContact CD-O 3.38Å; R221-F256 WeakPolarHBondContact CG-O 3.28Å; L248-F256 HydrophobicContact CB-CD1 4.06Å; L248-F256 HydrophobicContact CB-CE1 4.48Å; L248-F256 HydrophobicContact CD2-CD1 4.35Å; C254-F256 VanDerWaalsContact O-CD2 3.32Å; C254-F256 WeakPolarHBondContact O-CD2 3.47Å; C254-F256 WeakPolarHBondContact O-CE2 3.26Å; F256-A280 HydrophobicContact CE1-CB 3.66Å; F256-A280 HydrophobicContact CZ-CB 3.95Å; F256-W291 HydrophobicContact CD1-CH2 4.33Å; F256-W291 HydrophobicContact CD1-CZ3 4.27Å; F256-W291 HydrophobicContact CD2-CH2 4.16Å; F256-W291 HydrophobicContact CE1-CH2 4.16Å; F256-W291 HydrophobicContact CE1-CZ3 4.48Å; F256-W291 HydrophobicContact CE2-CH2 4.01Å; F256-W291 HydrophobicContact CG-CH2 4.34Å; F256-W291 HydrophobicContact CG-CZ3 4.31Å; F256-W291 HydrophobicContact CZ-CH2 4.01Å; F256-I292 HydrophobicContact CD1-CG1 4.4Å; F256-I292 HydrophobicContact CD1-CG2 4.2Å; F256-I292 HydrophobicContact CE1-CB 4.35Å; F256-I292 HydrophobicContact CE1-CD1 4.01Å; F256-I292 HydrophobicContact CE1-CG1 3.72Å; F256-I292 HydrophobicContact CE1-CG2 3.83Å; F256-I292 HydrophobicContact CZ-CD1 4.32Å; F256-I292 HydrophobicContact CZ-CG1 4.32Å; F256-V444 HydrophobicContact CE2-CB 4.12Å; F256-V444 HydrophobicContact CE2-CG1 3.41Å; F256-V444 VanDerWaalsContact CE2-CG1 3.41Å; F256-V444 HydrophobicContact CZ-CG1 3.75Å; F256-L445 HydrophobicContact CZ-CD1 4.47Å
257D95.8Very high94.5Very high5 Ų520.9 Ų20.93%0.02712%0.117CC..  trans-60.9152.4172.3-62.5-33.5000110.6Q183 M222 V246 T247 L259 I262Q183-D257 PolarHBondContact NE2-OD1 3.28Å; M222-D257 HydrophobicContact CB-CB 4.09Å; M222-D257 WeakPolarHBondContact CB-OD1 3.41Å; M222-D257 HydrophobicContact CE-CB 4.27Å; M222-D257 WeakPolarHBondContact CE-OD2 3.49Å; M222-D257 PolarHBondContact N-OD1 3.05Å; V246-D257 HydrophobicContact CG1-CB 4.05Å; V246-D257 HydrophobicContact CG2-CB 4.41Å; T247-D257 PolarHBondContact N-OD2 2.74Å; T247-D257 PolarHBondContact O-N 2.93Å; T247-D257 VanDerWaalsContact O-N 3.11Å; D257-L259 PolarHBondContact O-N 2.86Å; D257-I262 HydrophobicContact CB-CD1 4.2Å
258C96.7Very high94.4Very high11 Ų1124.5 Ų24.57%0.07414%0.142CC..  trans-75.765.6-174.1-640000112.4M222 P260 E261 I262M222-C258 PolarHBondContact O-N 2.96Å; C258-P260 VanDerWaalsContact C-CD 3.42Å; C258-P260 VanDerWaalsContact C-N 3.34Å; C258-E261 HydrophobicContact CB-CB 4.28Å; C258-E261 HydrophobicContact CB-CG 4.32Å; C258-E261 PolarHBondContact O-N 2.86Å; C258-I262 WeakPolarHBondContact O-CG1 3.46Å; C258-I262 PolarHBondContact O-N 3.32Å
259L97.4Very high94.2Very high1 Ų127.3 Ų27.31%0.00516%0.156CC..Hα-helixtrans-50.6-41.6-179-179.459.5000114.4V246 L248 D257 E261 I262 G263 L273 V275 I296V246-L259 HydrophobicContact CG1-CB 4.17Å; V246-L259 HydrophobicContact CG1-CD1 4.14Å; L248-L259 HydrophobicContact CD1-CD2 4.06Å; L248-L259 HydrophobicContact CD2-CB 4.28Å; D257-L259 PolarHBondContact O-N 2.86Å; L259-E261 PolarHBondContact O-N 3.05Å; L259-I262 PolarHBondContact O-N 2.63Å; L259-G263 PolarHBondContact O-N 2.87Å; L259-L273 HydrophobicContact CD1-CD2 3.78Å; L259-V275 HydrophobicContact CD1-CG2 3.88Å; L259-V275 HydrophobicContact CD2-CG1 4.45Å; L259-V275 HydrophobicContact CD2-CG2 4.01Å; L259-I296 HydrophobicContact CD2-CD1 4.14Å
260P97.5Very high93.9Very high58 Ų5836.1 Ų36.138%0.37719%0.192SC..Hα-helixtrans-59.3-26.8176.8-25.735.4000114.6C258 P264 Q294C258-P260 VanDerWaalsContact C-CD 3.42Å; C258-P260 VanDerWaalsContact C-N 3.34Å; P260-P264 WeakPolarHBondContact O-CD 3.32Å; P260-P264 WeakPolarHBondContact O-CG 3.32Å; P260-Q294 HydrophobicContact CG-CB 4.13Å; P260-Q294 HydrophobicContact CG-CG 3.89Å; P260-Q294 WeakPolarHBondContact CG-O 3.29Å
261E97.3Very high94Very high89 Ų8936.3 Ų36.342%0.41619%0.193SC..Hα-helixtrans-94.3-40.4179.1-58.6168.1-16300111.3C258 L259C258-E261 HydrophobicContact CB-CB 4.28Å; C258-E261 HydrophobicContact CB-CG 4.32Å; C258-E261 PolarHBondContact O-N 2.86Å; L259-E261 PolarHBondContact O-N 3.05Å
262I97.9Very high94.1Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-69.9-36.6-179-68.7169.4000111.7M222 L227 V244 V246 D257 C258 L259 L265 C266 L273M222-I262 HydrophobicContact CB-CD1 4.19Å; M222-I262 HydrophobicContact CE-CD1 3.98Å; M222-I262 HydrophobicContact CG-CD1 3.82Å; M222-I262 WeakPolarHBondContact O-CD1 3.19Å; M222-I262 HydrophobicContact SD-CD1 4.36Å; L227-I262 HydrophobicContact CD2-CG1 4.33Å; L227-I262 HydrophobicContact CD2-CG2 3.69Å; V244-I262 HydrophobicContact CG1-CG2 4.29Å; V246-I262 HydrophobicContact CG2-CB 4.24Å; V246-I262 HydrophobicContact CG2-CD1 3.89Å; V246-I262 HydrophobicContact CG2-CG2 3.64Å; D257-I262 HydrophobicContact CB-CD1 4.2Å; C258-I262 WeakPolarHBondContact O-CG1 3.46Å; C258-I262 PolarHBondContact O-N 3.32Å; L259-I262 PolarHBondContact O-N 2.63Å; I262-L265 WeakPolarHBondContact O-CB 3.23Å; I262-L265 PolarHBondContact O-N 3.17Å; I262-C266 PolarHBondContact O-N 3.32Å; I262-C266 PolarHBondContact O-SG 2.98Å; I262-L273 HydrophobicContact CG2-CD1 4.25Å
263G95.9Very high94.4Very high0 Ų035.9 Ų35.90%019%0.186CC..Hα-helixtrans-54.1-58.8-179.800000113.4L259 L265 C266 Q267 H298L259-G263 PolarHBondContact O-N 2.87Å; G263-L265 VanDerWaalsContact C-N 3.29Å; G263-L265 PolarHBondContact O-N 2.93Å; G263-C266 PolarHBondContact O-N 2.84Å; G263-Q267 PolarHBondContact O-N 3.39Å; G263-Q267 VanDerWaalsContact O-N 3.08Å; G263-H298 VanDerWaalsContact CA-CB 3.49Å
264P95.4Very high94.6Very high57 Ų5735.6 Ų35.637%0.3718%0.184SC..Hα-helixtrans-57.2-38.3175.1-27.435.7000113.8P260 Q267 S268P260-P264 WeakPolarHBondContact O-CD 3.32Å; P260-P264 WeakPolarHBondContact O-CG 3.32Å; P264-Q267 PolarHBondContact O-N 3.41Å; P264-S268 WeakPolarHBondContact O-CB 3.36Å; P264-S268 PolarHBondContact O-N 2.79Å
265L96.9Very high94.8Very high17 Ų1735.4 Ų35.49%0.08918%0.184CC..Hα-helixtrans-61.8-47.8175.8176.663.8000111S224 L227 Q228 I262 G263 Q267 S268 Q269S224-L265 VanDerWaalsContact O-CD2 3.32Å; S224-L265 WeakPolarHBondContact O-CD2 3.28Å; L227-L265 HydrophobicContact CB-CD2 4.16Å; L227-L265 HydrophobicContact CD2-CD2 3.96Å; L227-L265 HydrophobicContact CG-CD2 3.97Å; Q228-L265 HydrophobicContact CB-CD1 4.29Å; Q228-L265 HydrophobicContact CB-CD2 3.9Å; Q228-L265 HydrophobicContact CG-CD1 4.42Å; I262-L265 WeakPolarHBondContact O-CB 3.23Å; I262-L265 PolarHBondContact O-N 3.17Å; G263-L265 VanDerWaalsContact C-N 3.29Å; G263-L265 PolarHBondContact O-N 2.93Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-Q267 PolarHBondContact O-N 3.02Å; L265-S268 PolarHBondContact O-N 2.89Å; L265-S268 PolarHBondContact O-OG 3.29Å; L265-Q269 HydrophobicContact CD1-CG 3.78Å; L265-Q269 HydrophobicContact CG-CG 4.38Å; L265-Q269 WeakPolarHBondContact O-CB 3.41Å; L265-Q269 WeakPolarHBondContact O-CG 3.45Å; L265-Q269 PolarHBondContact O-N 2.91Å
266C94.4Very high95Very high1 Ų135.1 Ų35.11%0.00718%0.18CC..Hα-helixtrans-58.9-45178.6-66.90000111.5I262 G263 S268 Q269 K270 L271 L273I262-C266 PolarHBondContact O-N 3.32Å; I262-C266 PolarHBondContact O-SG 2.98Å; G263-C266 PolarHBondContact O-N 2.84Å; C266-S268 PolarHBondContact O-N 2.95Å; C266-Q269 CarbonylContact O-C 3.49Å; C266-Q269 PolarHBondContact O-N 3.12Å; C266-K270 WeakPolarHBondContact O-CA 3.34Å; C266-K270 PolarHBondContact O-N 3.2Å; C266-L271 HydrophobicContact CB-CB 4.2Å; C266-L271 PolarHBondContact O-N 2.98Å; C266-L273 HydrophobicContact CB-CB 4.14Å; C266-L273 HydrophobicContact CB-CD2 4.4Å
267Q90.1Very high95.1Very high96 Ų9634 Ų3445%0.44918%0.175SC..Hα-helixtrans-59.9-48175.4-71.2-178.3-29.200112.1G263 P264 L265 Q269 K270 H298G263-Q267 PolarHBondContact O-N 3.39Å; G263-Q267 VanDerWaalsContact O-N 3.08Å; P264-Q267 PolarHBondContact O-N 3.41Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-Q267 PolarHBondContact O-N 3.02Å; Q267-Q269 VanDerWaalsContact C-N 3.26Å; Q267-Q269 PolarHBondContact O-N 2.97Å; Q267-K270 PolarHBondContact O-N 3.46Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; Q267-H298 PolarHBondContact NE2-ND1 3.11Å; Q267-H298 VanDerWaalsContact NE2-ND1 3.17Å; Q267-H298 PolarHBondContact OE1-CE1 3.27Å; Q267-H298 PolarHBondContact OE1-ND1 2.73Å
268S92Very high95.1Very high82 Ų8233.9 Ų33.957%0.57318%0.175SC*.Hα-helixtrans-61.9-34.6179.877.10000113P264 L265 C266P264-S268 WeakPolarHBondContact O-CB 3.36Å; P264-S268 PolarHBondContact O-N 2.79Å; L265-S268 PolarHBondContact O-N 2.89Å; L265-S268 PolarHBondContact O-OG 3.29Å; C266-S268 PolarHBondContact O-N 2.95Å
269Q91.9Very high95.1Very high63 Ų6333.4 Ų33.429%0.29417%0.172SC..Hα-helixtrans-92.4-0.7-178.8-62.2-61.9-46.600113L265 C266 Q267 L271L265-Q269 HydrophobicContact CD1-CG 3.78Å; L265-Q269 HydrophobicContact CG-CG 4.38Å; L265-Q269 WeakPolarHBondContact O-CB 3.41Å; L265-Q269 WeakPolarHBondContact O-CG 3.45Å; L265-Q269 PolarHBondContact O-N 2.91Å; C266-Q269 CarbonylContact O-C 3.49Å; C266-Q269 PolarHBondContact O-N 3.12Å; Q267-Q269 VanDerWaalsContact C-N 3.26Å; Q267-Q269 PolarHBondContact O-N 2.97Å; Q269-L271 VanDerWaalsContact C-N 3.29Å; Q269-L271 HydrophobicContact CB-CD1 3.91Å; Q269-L271 HydrophobicContact CB-CD2 4.43Å; Q269-L271 HydrophobicContact CB-CG 3.73Å; Q269-L271 PolarHBondContact O-N 3.19Å
270K89.8Confident95Very high190 Ų19033.3 Ų33.383%0.82617%0.172SC*.THydrogen-bonded Turntrans53.842.3-174.5-55.8-178.8-180-177.50113C266 Q267C266-K270 WeakPolarHBondContact O-CA 3.34Å; C266-K270 PolarHBondContact O-N 3.2Å; Q267-K270 PolarHBondContact O-N 3.46Å; Q267-K270 VanDerWaalsContact O-N 3.16Å
271L93.2Very high95.1Very high8 Ų830.6 Ų30.64%0.04215%0.154CC..  trans-94.2134.2175-52.9176.2000109.1V231 P241 V244 C266 Q269 L273V231-L271 HydrophobicContact CG2-CD1 4.05Å; P241-L271 VanDerWaalsContact C-CD2 3.45Å; P241-L271 HydrophobicContact CB-CD2 3.49Å; P241-L271 VanDerWaalsContact CB-CD2 3.49Å; P241-L271 WeakPolarHBondContact O-CD2 3.39Å; V244-L271 HydrophobicContact CG2-CB 4.05Å; V244-L271 HydrophobicContact CG2-CD1 3.75Å; C266-L271 HydrophobicContact CB-CB 4.2Å; C266-L271 PolarHBondContact O-N 2.98Å; Q269-L271 VanDerWaalsContact C-N 3.29Å; Q269-L271 HydrophobicContact CB-CD1 3.91Å; Q269-L271 HydrophobicContact CB-CD2 4.43Å; Q269-L271 HydrophobicContact CB-CG 3.73Å; Q269-L271 PolarHBondContact O-N 3.19Å; L271-L273 PolarHBondContact O-N 3.1Å
272W93.3Very high95.1Very high33 Ų3326.3 Ų26.313%0.12513%0.134CC..EExtended strand (participates in β ladder)trans-67125.8171.9-175.9-75.1000110S155 A158 A159 L162 F242 F243 V244 D300 T301S155-W272 PolarHBondContact OG-NE1 3.34Å; A158-W272 HydrophobicContact CB-CH2 4.01Å; A158-W272 HydrophobicContact CB-CZ2 4.12Å; A159-W272 HydrophobicContact CB-CB 3.5Å; A159-W272 VanDerWaalsContact CB-CB 3.5Å; A159-W272 HydrophobicContact CB-CD2 3.76Å; A159-W272 HydrophobicContact CB-CE3 4.21Å; A159-W272 HydrophobicContact CB-CG 3.46Å; A159-W272 VanDerWaalsContact CB-CG 3.46Å; L162-W272 HydrophobicContact CD2-CE3 4.29Å; L162-W272 HydrophobicContact CD2-CZ3 4.42Å; F242-W272 WeakPolarHBondContact O-CB 3.31Å; F242-W272 PolarHBondContact O-N 2.78Å; F243-W272 CarbonylContact C-O 3.58Å; F243-W272 WeakPolarHBondContact CA-O 3.18Å; F243-W272 HydrophobicContact CD2-CB 4.1Å; F243-W272 AromaticContact CD2-CD1 3.48Å; F243-W272 VanDerWaalsContact CD2-CD1 3.48Å; F243-W272 HydrophobicContact CD2-CG 4.03Å; F243-W272 AromaticContact CE2-CD1 3.47Å; F243-W272 VanDerWaalsContact CE2-CD1 3.47Å; F243-W272 HydrophobicContact CE2-CG 4.41Å; F243-W272 AromaticContact CE2-NE1 3.95Å; V244-W272 PolarHBondContact N-O 3.15Å; W272-D300 WeakPolarHBondContact CA-OD2 3.17Å; W272-D300 HydrophobicContact CD2-CB 3.74Å; W272-D300 HydrophobicContact CE3-CB 4.19Å; W272-D300 HydrophobicContact CG-CB 4.14Å; W272-D300 HydrophobicContact CH2-CB 4.44Å; W272-D300 HydrophobicContact CZ2-CB 4.03Å; W272-T301 HydrophobicContact CZ2-CG2 3.55Å; W272-T301 PolarHBondContact NE1-OG1 3.49Å
273L95.2Very high95.1Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-105.2112.1-179.1-179.458.8000111.1V244 V246 L259 I262 C266 L271 V275 H298 D300 T301V244-L273 HydrophobicContact CB-CD1 4.3Å; V244-L273 HydrophobicContact CG1-CD1 4.28Å; V246-L273 HydrophobicContact CB-CD1 4.12Å; V246-L273 HydrophobicContact CG2-CD1 3.74Å; L259-L273 HydrophobicContact CD1-CD2 3.78Å; I262-L273 HydrophobicContact CG2-CD1 4.25Å; C266-L273 HydrophobicContact CB-CB 4.14Å; C266-L273 HydrophobicContact CB-CD2 4.4Å; L271-L273 PolarHBondContact O-N 3.1Å; L273-V275 HydrophobicContact CG-CG2 4.45Å; L273-H298 HydrophobicContact CD2-CB 4.2Å; L273-D300 PolarHBondContact N-OD2 3.37Å; L273-D300 PolarHBondContact O-N 2.89Å; L273-T301 PolarHBondContact O-N 3.3Å
274H94.9Very high95.2Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-100.6132.1168.8-176.758.8000110.7V152 S155 F243 V244 C245 V246 T301 N303 F319V152-H274 VanDerWaalsContact CG2-NE2 3.33Å; V152-H274 WeakPolarHBondContact CG2-NE2 3.41Å; S155-H274 WeakPolarHBondContact OG-CB 3.31Å; S155-H274 PolarHBondContact OG-ND1 3.4Å; F243-H274 HydrophobicContact CE1-CB 4.37Å; F243-H274 HydrophobicContact CE2-CB 3.71Å; F243-H274 HydrophobicContact CZ-CB 3.43Å; F243-H274 VanDerWaalsContact CZ-CB 3.43Å; V244-H274 PolarHBondContact O-N 2.65Å; C245-H274 WeakPolarHBondContact CA-O 3.17Å; V246-H274 PolarHBondContact N-O 3.11Å; H274-T301 WeakPolarHBondContact CA-O 3.2Å; H274-T301 PolarHBondContact ND1-O 2.85Å; H274-T301 PolarHBondContact ND1-OG1 2.87Å; H274-N303 PolarHBondContact CE1-OD1 2.95Å; H274-N303 PolarHBondContact NE2-OD1 3.48Å; H274-F319 AromaticContact CE1-CE2 3.93Å
275V97Very high95.3Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-107.8107.7174.5177.50000109.8V246 L248 L259 L273 A277 I296 A299 T301 I302 N303V246-V275 HydrophobicContact CB-CG2 4.42Å; V246-V275 HydrophobicContact CG1-CG2 4.32Å; V246-V275 CarbonylContact O-C 3.22Å; V246-V275 WeakPolarHBondContact O-CA 3.31Å; L248-V275 HydrophobicContact CD1-CG1 3.4Å; L248-V275 HydrophobicContact CG-CG1 3.8Å; L259-V275 HydrophobicContact CD1-CG2 3.88Å; L259-V275 HydrophobicContact CD2-CG1 4.45Å; L259-V275 HydrophobicContact CD2-CG2 4.01Å; L273-V275 HydrophobicContact CG-CG2 4.45Å; V275-A277 HydrophobicContact CG1-CB 4.47Å; V275-A277 PolarHBondContact O-N 3.22Å; V275-I296 HydrophobicContact CB-CD1 3.93Å; V275-I296 HydrophobicContact CG1-CD1 3.92Å; V275-I296 HydrophobicContact CG2-CD1 3.83Å; V275-A299 HydrophobicContact CB-CB 4.43Å; V275-A299 HydrophobicContact CG2-CB 3.65Å; V275-T301 PolarHBondContact N-O 3.04Å; V275-I302 HydrophobicContact CB-CB 4.26Å; V275-I302 HydrophobicContact CB-CG1 4.05Å; V275-I302 HydrophobicContact CG1-CD1 4.43Å; V275-I302 HydrophobicContact CG1-CG1 4.06Å; V275-I302 WeakPolarHBondContact O-CA 3.4Å; V275-I302 WeakPolarHBondContact O-CG1 3.26Å; V275-N303 PolarHBondContact O-N 3.44Å
276D97.1Very high95.3Very high2 Ų222.8 Ų22.81%0.01111%0.112CC..EExtended strand (participates in β ladder)trans-87.4100.9169.6-176.812000109.9V246 T247 L248 A278 N303V246-D276 PolarHBondContact O-N 2.89Å; T247-D276 WeakPolarHBondContact CA-O 3.32Å; L248-D276 PolarHBondContact N-O 2.91Å; D276-A278 WeakPolarHBondContact OD1-CB 3.12Å; D276-A278 PolarHBondContact OD1-N 3.36Å; D276-N303 WeakPolarHBondContact CA-OD1 3.47Å; D276-N303 PolarHBondContact OD1-ND2 2.85Å; D276-N303 PolarHBondContact OD1-OD1 2.91Å
277A97.2Very high95.5Very high0 Ų026 Ų260%013%0.133CC..  trans-108.930.6173.900000111.4L248 V275 Y279 A280 G281 F293 N303 F304L248-A277 HydrophobicContact CB-CB 4.09Å; L248-A277 HydrophobicContact CD1-CB 4.4Å; V275-A277 HydrophobicContact CG1-CB 4.47Å; V275-A277 PolarHBondContact O-N 3.22Å; A277-Y279 VanDerWaalsContact C-N 3.25Å; A277-Y279 CarbonylContact O-C 2.63Å; A277-Y279 PolarHBondContact O-N 3.02Å; A277-A280 PolarHBondContact O-N 3.42Å; A277-G281 WeakPolarHBondContact O-CA 3.41Å; A277-G281 PolarHBondContact O-N 3.35Å; A277-F293 HydrophobicContact CB-CE1 3.91Å; A277-N303 CarbonylContact C-O 3.5Å; A277-N303 WeakPolarHBondContact CA-O 3.44Å; A277-N303 WeakPolarHBondContact CB-O 3.24Å; A277-N303 PolarHBondContact N-O 3.45Å; A277-F304 HydrophobicContact CB-CB 4.26Å; A277-F304 WeakPolarHBondContact O-CB 3.45Å
278A96.6Very high95.9Very high3 Ų325.6 Ų25.63%0.02513%0.131CC..THydrogen-bonded Turntrans-41-48.4-171.900000114.2A148 D276 N305 K308A148-A278 HydrophobicContact CB-CB 4.1Å; D276-A278 WeakPolarHBondContact OD1-CB 3.12Å; D276-A278 PolarHBondContact OD1-N 3.36Å; A278-N305 WeakPolarHBondContact O-CB 3.27Å; A278-N305 PolarHBondContact O-N 3.35Å; A278-K308 VanDerWaalsContact CB-NZ 3.28Å; A278-K308 WeakPolarHBondContact O-CD 3.09Å
279Y95.5Very high96.2Very high1 Ų123.2 Ų23.20%0.00411%0.11CC..THydrogen-bonded Turntrans-90.4-60.5175.6171.3-117000112.7F80 P81 A277 G281 C282 A309 M420 L445 G446 V447F80-Y279 HydrophobicContact CB-CD2 4.27Å; F80-Y279 AromaticContact CD1-CD1 3.64Å; F80-Y279 HydrophobicContact CD1-CD1 3.64Å; F80-Y279 AromaticContact CD1-CD2 3.64Å; F80-Y279 HydrophobicContact CD1-CD2 3.64Å; F80-Y279 AromaticContact CD1-CE1 3.91Å; F80-Y279 HydrophobicContact CD1-CE1 3.91Å; F80-Y279 AromaticContact CD1-CE2 3.92Å; F80-Y279 HydrophobicContact CD1-CE2 3.92Å; F80-Y279 AromaticContact CD1-CG 3.48Å; F80-Y279 HydrophobicContact CD1-CG 3.48Å; F80-Y279 VanDerWaalsContact CD1-CG 3.48Å; F80-Y279 HydrophobicContact CD2-CG 4.28Å; F80-Y279 AromaticContact CE1-CD1 3.17Å; F80-Y279 HydrophobicContact CE1-CD1 3.17Å; F80-Y279 HydrophobicContact CE1-CD2 4.09Å; F80-Y279 AromaticContact CE1-CE1 3.55Å; F80-Y279 HydrophobicContact CE1-CE1 3.55Å; F80-Y279 HydrophobicContact CE1-CE2 4.4Å; F80-Y279 AromaticContact CE1-CG 3.47Å; F80-Y279 HydrophobicContact CE1-CG 3.47Å; F80-Y279 VanDerWaalsContact CE1-CG 3.47Å; F80-Y279 HydrophobicContact CE2-CD1 4.44Å; F80-Y279 HydrophobicContact CE2-CG 4.22Å; F80-Y279 HydrophobicContact CG-CD1 4.46Å; F80-Y279 HydrophobicContact CG-CD2 4Å; F80-Y279 AromaticContact CG-CG 3.91Å; F80-Y279 HydrophobicContact CG-CG 3.91Å; F80-Y279 AromaticContact CZ-CD1 3.64Å; F80-Y279 HydrophobicContact CZ-CD1 3.64Å; F80-Y279 HydrophobicContact CZ-CE1 4.4Å; F80-Y279 AromaticContact CZ-CG 3.85Å; F80-Y279 HydrophobicContact CZ-CG 3.85Å; P81-Y279 HydrophobicContact CG-CE2 3.86Å; A277-Y279 VanDerWaalsContact C-N 3.25Å; A277-Y279 CarbonylContact O-C 2.63Å; A277-Y279 PolarHBondContact O-N 3.02Å; Y279-G281 VanDerWaalsContact C-N 3.27Å; Y279-G281 PolarHBondContact O-N 2.87Å; Y279-C282 WeakPolarHBondContact O-CB 3.17Å; Y279-C282 PolarHBondContact O-N 3.12Å; Y279-A309 HydrophobicContact CD2-CB 4.5Å; Y279-A309 HydrophobicContact CE2-CB 4.22Å; Y279-M420 HydrophobicContact CE2-CE 4.46Å; Y279-M420 WeakPolarHBondContact OH-CE 3.42Å; Y279-L445 HydrophobicContact CD1-CD1 4.31Å; Y279-L445 HydrophobicContact CE1-CB 4.05Å; Y279-L445 HydrophobicContact CE1-CD1 3.83Å; Y279-G446 WeakPolarHBondContact OH-CA 3.41Å; Y279-G446 PolarHBondContact OH-N 3.05Å; Y279-G446 VanDerWaalsContact OH-N 3.09Å; Y279-V447 HydrophobicContact CE1-CG2 4.02Å
280A96.8Very high96.4Very high0 Ų025.2 Ų25.20%011%0.114CC..G310 helixtrans-71.7-19.4-167.300000114L248 F256 A277 C282 A283 I292 L445L248-A280 VanDerWaalsContact O-CB 3.31Å; L248-A280 WeakPolarHBondContact O-CB 3.41Å; F256-A280 HydrophobicContact CE1-CB 3.66Å; F256-A280 HydrophobicContact CZ-CB 3.95Å; A277-A280 PolarHBondContact O-N 3.42Å; A280-C282 PolarHBondContact O-N 3.05Å; A280-A283 WeakPolarHBondContact O-CB 3.44Å; A280-A283 PolarHBondContact O-N 3.41Å; A280-I292 HydrophobicContact CB-CD1 4.27Å; A280-I292 HydrophobicContact CB-CG2 4.38Å; A280-L445 HydrophobicContact CB-CD1 3.58Å
281G97.6Very high96.8Very high0 Ų022 Ų220%010%0.097CC..G310 helixtrans-58.5-31.5173.200000112.4A277 Y279 A283 T284A277-G281 WeakPolarHBondContact O-CA 3.41Å; A277-G281 PolarHBondContact O-N 3.35Å; Y279-G281 VanDerWaalsContact C-N 3.27Å; Y279-G281 PolarHBondContact O-N 2.87Å; G281-A283 PolarHBondContact O-N 3.39Å; G281-T284 PolarHBondContact O-N 2.87Å; G281-T284 PolarHBondContact O-OG1 3.08Å
282C97.5Very high97Very high0 Ų021.9 Ų21.90%010%0.096CC..G310 helixtrans-60.8-28.5174-66.30000113.1Y279 A280 T284 I285 N305 A309 M310 F417Y279-C282 WeakPolarHBondContact O-CB 3.17Å; Y279-C282 PolarHBondContact O-N 3.12Å; A280-C282 PolarHBondContact O-N 3.05Å; C282-T284 VanDerWaalsContact C-N 3.27Å; C282-T284 PolarHBondContact O-N 3.02Å; C282-I285 VanDerWaalsContact O-CG2 3.24Å; C282-I285 WeakPolarHBondContact O-CG2 3.32Å; C282-N305 PolarHBondContact SG-O 3.36Å; C282-A309 HydrophobicContact CB-CB 3.88Å; C282-M310 HydrophobicContact CB-CG 3.84Å; C282-F417 HydrophobicContact CB-CD2 4.42Å; C282-F417 HydrophobicContact CB-CE2 3.81Å
283A97.8Very high97.2Very high0 Ų020.8 Ų20.80%09%0.093CC..G310 helixtrans-67.4-30.1-177.400000112.5A280 G281 I285 C286 Y289 I292 F417 L445A280-A283 WeakPolarHBondContact O-CB 3.44Å; A280-A283 PolarHBondContact O-N 3.41Å; G281-A283 PolarHBondContact O-N 3.39Å; A283-I285 PolarHBondContact O-N 3.16Å; A283-I285 VanDerWaalsContact O-N 3.12Å; A283-C286 WeakPolarHBondContact O-CB 3.48Å; A283-C286 PolarHBondContact O-N 3.11Å; A283-Y289 HydrophobicContact CB-CD2 3.96Å; A283-Y289 HydrophobicContact CB-CG 3.98Å; A283-Y289 WeakPolarHBondContact O-CB 3.49Å; A283-I292 HydrophobicContact CB-CD1 3.86Å; A283-F417 HydrophobicContact CB-CD1 4.3Å; A283-F417 HydrophobicContact CB-CE1 3.4Å; A283-F417 HydrophobicContact CB-CE2 4.17Å; A283-F417 HydrophobicContact CB-CZ 3.33Å; A283-L445 HydrophobicContact CB-CD1 3.9Å; A283-L445 HydrophobicContact CB-CD2 3.66Å; A283-L445 HydrophobicContact CB-CG 4.43Å
284T98.2Very high97.2Very high0 Ų026.9 Ų26.90%012%0.121CC..G310 helixtrans-69.3-9.6-171.964.40000113.9V126 G281 C282 C286 I292 F293V126-T284 VanDerWaalsContact CB-OG1 3.23Å; V126-T284 WeakPolarHBondContact CB-OG1 3.32Å; V126-T284 WeakPolarHBondContact O-CB 3.24Å; V126-T284 PolarHBondContact O-OG1 2.76Å; G281-T284 PolarHBondContact O-N 2.87Å; G281-T284 PolarHBondContact O-OG1 3.08Å; C282-T284 VanDerWaalsContact C-N 3.27Å; C282-T284 PolarHBondContact O-N 3.02Å; T284-C286 PolarHBondContact O-N 2.82Å; T284-I292 HydrophobicContact CG2-CB 3.95Å; T284-I292 HydrophobicContact CG2-CD1 4.45Å; T284-I292 HydrophobicContact CG2-CG2 4.23Å; T284-F293 HydrophobicContact CG2-CD1 3.98Å; T284-F293 HydrophobicContact CG2-CD2 3.82Å; T284-F293 HydrophobicContact CG2-CE1 3.97Å; T284-F293 HydrophobicContact CG2-CE2 3.82Å; T284-F293 HydrophobicContact CG2-CG 3.91Å; T284-F293 HydrophobicContact CG2-CZ 3.89Å; T284-F293 WeakPolarHBondContact OG1-CE2 3.43Å
285I97.8Very high97.3Very high0 Ų027 Ų270%012%0.123CC..G310 helixtrans-58.6-29.4164.1-164.4172.8000111.9L125 C282 A283 M310 I413 R414L125-I285 HydrophobicContact CB-CG1 4.3Å; C282-I285 VanDerWaalsContact O-CG2 3.24Å; C282-I285 WeakPolarHBondContact O-CG2 3.32Å; A283-I285 PolarHBondContact O-N 3.16Å; A283-I285 VanDerWaalsContact O-N 3.12Å; I285-M310 HydrophobicContact CD1-CE 3.91Å; I285-I413 HydrophobicContact CD1-CB 3.95Å; I285-I413 HydrophobicContact CD1-CD1 4.42Å; I285-I413 HydrophobicContact CD1-CG2 3.68Å; I285-I413 HydrophobicContact CG2-CG2 4.49Å; I285-R414 HydrophobicContact CG1-CG 4.09Å; I285-R414 HydrophobicContact CG2-CG 4.16Å; I285-R414 PolarHBondContact O-NE 3.23Å
286C98.3Very high97.2Very high0 Ų027.2 Ų27.20%012%0.124CC..SBendtrans-87122171.2-59.20000109.1A283 T284 E288 Y289A283-C286 WeakPolarHBondContact O-CB 3.48Å; A283-C286 PolarHBondContact O-N 3.11Å; T284-C286 PolarHBondContact O-N 2.82Å; C286-E288 HydrophobicContact CB-CG 4.45Å; C286-E288 PolarHBondContact O-N 3.21Å; C286-E288 VanDerWaalsContact O-N 3.1Å; C286-Y289 HydrophobicContact CB-CD2 3.72Å; C286-Y289 HydrophobicContact CB-CE2 4.32Å; C286-Y289 PolarHBondContact O-N 2.71Å
287P97.7Very high96.9Very high68 Ų6831.8 Ų31.844%0.44215%0.145SC..G310 helixtrans-52.7-35.5-177.4-29.636.4000114.7Y289 R290P287-Y289 PolarHBondContact O-N 2.92Å; P287-R290 WeakPolarHBondContact O-CB 3.31Å; P287-R290 PolarHBondContact O-N 2.67Å
288E97.9Very high96.6Very high88 Ų8833.2 Ų33.241%0.41115%0.152SC..G310 helixtrans-67.8-11.6179.766.9-90.2-151.600114.9C286 W291 R418C286-E288 HydrophobicContact CB-CG 4.45Å; C286-E288 PolarHBondContact O-N 3.21Å; C286-E288 VanDerWaalsContact O-N 3.1Å; E288-W291 VanDerWaalsContact O-CD1 3.25Å; E288-R418 IonicContact OE1-CZ 3.71Å; E288-R418 IonicContact OE1-NE 2.83Å; E288-R418 PolarHBondContact OE1-NE 3.23Å; E288-R418 IonicContact OE1-NH2 2.76Å; E288-R418 PolarHBondContact OE1-NH2 3.48Å; E288-R418 IonicContact OE2-CZ 2.99Å; E288-R418 IonicContact OE2-NE 2.97Å; E288-R418 IonicContact OE2-NH2 3.3Å; E288-R418 PolarHBondContact OE2-NH2 3.06Å
289Y97.9Very high96.3Very high32 Ų3233.1 Ų33.113%0.12515%0.15CC..G310 helixtrans-107.73.8175.9-62.7-55.2000113.1A283 C286 P287 W291 I292 F417 C421 L445A283-Y289 HydrophobicContact CB-CD2 3.96Å; A283-Y289 HydrophobicContact CB-CG 3.98Å; A283-Y289 WeakPolarHBondContact O-CB 3.49Å; C286-Y289 HydrophobicContact CB-CD2 3.72Å; C286-Y289 HydrophobicContact CB-CE2 4.32Å; C286-Y289 PolarHBondContact O-N 2.71Å; P287-Y289 PolarHBondContact O-N 2.92Å; Y289-W291 PolarHBondContact O-N 2.82Å; Y289-W291 VanDerWaalsContact O-N 3.13Å; Y289-I292 WeakPolarHBondContact O-CB 3.23Å; Y289-I292 WeakPolarHBondContact O-CD1 3.21Å; Y289-I292 VanDerWaalsContact O-CG1 3.27Å; Y289-I292 WeakPolarHBondContact O-CG1 3.34Å; Y289-I292 PolarHBondContact O-N 3.42Å; Y289-F417 HydrophobicContact CD2-CD1 4.39Å; Y289-F417 HydrophobicContact CD2-CE1 4.31Å; Y289-F417 HydrophobicContact CE2-CD1 4.17Å; Y289-F417 HydrophobicContact CE2-CE1 4.23Å; Y289-C421 WeakPolarHBondContact OH-CB 3.22Å; Y289-L445 HydrophobicContact CD1-CD2 3.76Å; Y289-L445 HydrophobicContact CD2-CD2 4.35Å; Y289-L445 HydrophobicContact CE1-CD2 3.8Å; Y289-L445 HydrophobicContact CE2-CD2 4.43Å; Y289-L445 HydrophobicContact CG-CD2 4.08Å
290R97.3Very high96Very high104 Ų10434.2 Ų34.239%0.39216%0.157SC..G310 helixtrans-64.2-17179.7-75.7-174.1174.8167.2-5.7114.4L125 P287 I292 F293L125-R290 PolarHBondContact O-NH2 3.31Å; P287-R290 WeakPolarHBondContact O-CB 3.31Å; P287-R290 PolarHBondContact O-N 2.67Å; R290-I292 PolarHBondContact O-N 3.27Å; R290-I292 VanDerWaalsContact O-N 3.11Å; R290-F293 PolarHBondContact O-N 2.78Å
291W97.3Very high95.8Very high124 Ų12434.3 Ų34.347%0.4716%0.157SC..G310 helixtrans-55.8-24.7170.566.2-98.5000112.7F256 E288 Y289 F293 Q294 V444F256-W291 HydrophobicContact CD1-CH2 4.33Å; F256-W291 HydrophobicContact CD1-CZ3 4.27Å; F256-W291 HydrophobicContact CD2-CH2 4.16Å; F256-W291 HydrophobicContact CE1-CH2 4.16Å; F256-W291 HydrophobicContact CE1-CZ3 4.48Å; F256-W291 HydrophobicContact CE2-CH2 4.01Å; F256-W291 HydrophobicContact CG-CH2 4.34Å; F256-W291 HydrophobicContact CG-CZ3 4.31Å; F256-W291 HydrophobicContact CZ-CH2 4.01Å; E288-W291 VanDerWaalsContact O-CD1 3.25Å; Y289-W291 PolarHBondContact O-N 2.82Å; Y289-W291 VanDerWaalsContact O-N 3.13Å; W291-F293 PolarHBondContact O-N 3.46Å; W291-Q294 WeakPolarHBondContact O-CB 3.26Å; W291-Q294 PolarHBondContact O-N 2.88Å; W291-V444 HydrophobicContact CH2-CG1 4.39Å; W291-V444 HydrophobicContact CZ2-CG1 4.36Å
292I97.4Very high95.7Very high4 Ų434.3 Ų34.32%0.02116%0.157CC..G310 helixtrans-58.5-36.1175.4-66.3168.1000110.9L248 F256 A280 A283 T284 Y289 R290 Q294 L445L248-I292 HydrophobicContact CB-CG2 4.11Å; L248-I292 HydrophobicContact CD1-CG2 4.08Å; L248-I292 VanDerWaalsContact CD1-O 3.28Å; L248-I292 WeakPolarHBondContact CD1-O 3.34Å; F256-I292 HydrophobicContact CD1-CG1 4.4Å; F256-I292 HydrophobicContact CD1-CG2 4.2Å; F256-I292 HydrophobicContact CE1-CB 4.35Å; F256-I292 HydrophobicContact CE1-CD1 4.01Å; F256-I292 HydrophobicContact CE1-CG1 3.72Å; F256-I292 HydrophobicContact CE1-CG2 3.83Å; F256-I292 HydrophobicContact CZ-CD1 4.32Å; F256-I292 HydrophobicContact CZ-CG1 4.32Å; A280-I292 HydrophobicContact CB-CD1 4.27Å; A280-I292 HydrophobicContact CB-CG2 4.38Å; A283-I292 HydrophobicContact CB-CD1 3.86Å; T284-I292 HydrophobicContact CG2-CB 3.95Å; T284-I292 HydrophobicContact CG2-CD1 4.45Å; T284-I292 HydrophobicContact CG2-CG2 4.23Å; Y289-I292 WeakPolarHBondContact O-CB 3.23Å; Y289-I292 WeakPolarHBondContact O-CD1 3.21Å; Y289-I292 VanDerWaalsContact O-CG1 3.27Å; Y289-I292 WeakPolarHBondContact O-CG1 3.34Å; Y289-I292 PolarHBondContact O-N 3.42Å; R290-I292 PolarHBondContact O-N 3.27Å; R290-I292 VanDerWaalsContact O-N 3.11Å; I292-Q294 VanDerWaalsContact C-N 3.32Å; I292-L445 HydrophobicContact CD1-CD1 4.36Å; I292-L445 HydrophobicContact CD1-CD2 4.3Å
293F97.1Very high95.7Very high11 Ų1134.3 Ų34.35%0.04816%0.157CC..G310 helixtrans-92.115.2177.9-71.6-9.6000113.3V126 L128 L248 A277 T284 R290 W291 G295 I296 I302V126-F293 HydrophobicContact CB-CE2 4.09Å; V126-F293 HydrophobicContact CG2-CE2 4.05Å; L128-F293 HydrophobicContact CD2-CD2 4.04Å; L128-F293 HydrophobicContact CD2-CE2 3.96Å; L128-F293 HydrophobicContact CG-CE2 4.3Å; L248-F293 HydrophobicContact CD1-CD1 4.13Å; L248-F293 HydrophobicContact CD1-CE1 4.46Å; A277-F293 HydrophobicContact CB-CE1 3.91Å; T284-F293 HydrophobicContact CG2-CD1 3.98Å; T284-F293 HydrophobicContact CG2-CD2 3.82Å; T284-F293 HydrophobicContact CG2-CE1 3.97Å; T284-F293 HydrophobicContact CG2-CE2 3.82Å; T284-F293 HydrophobicContact CG2-CG 3.91Å; T284-F293 HydrophobicContact CG2-CZ 3.89Å; T284-F293 WeakPolarHBondContact OG1-CE2 3.43Å; R290-F293 PolarHBondContact O-N 2.78Å; W291-F293 PolarHBondContact O-N 3.46Å; F293-G295 PolarHBondContact O-N 3.09Å; F293-I296 HydrophobicContact CB-CB 4.06Å; F293-I296 HydrophobicContact CB-CG2 4.04Å; F293-I296 VanDerWaalsContact O-CB 3.23Å; F293-I296 WeakPolarHBondContact O-CB 3.26Å; F293-I296 VanDerWaalsContact O-CG2 3.23Å; F293-I296 WeakPolarHBondContact O-CG2 3.28Å; F293-I296 PolarHBondContact O-N 3.4Å; F293-I302 HydrophobicContact CD1-CD1 4.26Å; F293-I302 HydrophobicContact CE1-CD1 3.6Å; F293-I302 HydrophobicContact CE2-CD1 4.19Å; F293-I302 HydrophobicContact CZ-CD1 3.55Å
294Q96.9Very high95.6Very high127 Ų12734.3 Ų34.359%0.59316%0.157SC*.THydrogen-bonded Turntrans-61.3124.1170.8-169.4-179.71.500109.7P260 W291 I292P260-Q294 HydrophobicContact CG-CB 4.13Å; P260-Q294 HydrophobicContact CG-CG 3.89Å; P260-Q294 WeakPolarHBondContact CG-O 3.29Å; W291-Q294 WeakPolarHBondContact O-CB 3.26Å; W291-Q294 PolarHBondContact O-N 2.88Å; I292-Q294 VanDerWaalsContact C-N 3.32Å
295G95.6Very high95.6Very high3 Ų334.6 Ų34.63%0.03116%0.159CC..THydrogen-bonded Turntrans90.50.9-175.100000114.6F293 Q297 H298F293-G295 PolarHBondContact O-N 3.09Å; G295-Q297 VanDerWaalsContact CA-OE1 3.3Å; G295-Q297 PolarHBondContact O-N 3.42Å; G295-Q297 VanDerWaalsContact O-N 3.16Å; G295-H298 WeakPolarHBondContact O-CB 3.29Å; G295-H298 PolarHBondContact O-CD2 3.04Å; G295-H298 VanDerWaalsContact O-CD2 3.25Å; G295-H298 PolarHBondContact O-N 3.15Å; G295-H298 VanDerWaalsContact O-N 3.09Å
296I95Very high95.6Very high5 Ų534.6 Ų34.63%0.02616%0.159CC..G310 helixtrans-63.5-22.7-176.3-16258.9000114.1L128 P129 F132 L259 V275 F293 H298 A299 I302L128-I296 HydrophobicContact CD2-CG1 3.88Å; L128-I296 HydrophobicContact CD2-CG2 4.48Å; P129-I296 HydrophobicContact CG-CG2 3.85Å; F132-I296 HydrophobicContact CZ-CG1 4.27Å; L259-I296 HydrophobicContact CD2-CD1 4.14Å; V275-I296 HydrophobicContact CB-CD1 3.93Å; V275-I296 HydrophobicContact CG1-CD1 3.92Å; V275-I296 HydrophobicContact CG2-CD1 3.83Å; F293-I296 HydrophobicContact CB-CB 4.06Å; F293-I296 HydrophobicContact CB-CG2 4.04Å; F293-I296 VanDerWaalsContact O-CB 3.23Å; F293-I296 WeakPolarHBondContact O-CB 3.26Å; F293-I296 VanDerWaalsContact O-CG2 3.23Å; F293-I296 WeakPolarHBondContact O-CG2 3.28Å; F293-I296 PolarHBondContact O-N 3.4Å; I296-H298 PolarHBondContact O-N 3.3Å; I296-A299 HydrophobicContact CD1-CB 3.84Å; I296-A299 WeakPolarHBondContact O-CB 3.44Å; I296-A299 PolarHBondContact O-N 3.2Å; I296-I302 HydrophobicContact CD1-CB 4.18Å; I296-I302 HydrophobicContact CD1-CD1 3.69Å; I296-I302 HydrophobicContact CD1-CG1 4.13Å; I296-I302 HydrophobicContact CG1-CD1 4.14Å
297Q90.6Very high95.6Very high98 Ų9835.2 Ų35.246%0.45816%0.162SC..G310 helixtrans-60.6-15.7174.771.3-79.80.400113.7G295G295-Q297 VanDerWaalsContact CA-OE1 3.3Å; G295-Q297 PolarHBondContact O-N 3.42Å; G295-Q297 VanDerWaalsContact O-N 3.16Å
298H90.9Very high95.5Very high30 Ų3033.2 Ų33.214%0.13915%0.146CC..G310 helixtrans-88.3-10.1175.9-58-67.7000113.4G263 Q267 L273 G295 I296G263-H298 VanDerWaalsContact CA-CB 3.49Å; Q267-H298 PolarHBondContact NE2-ND1 3.11Å; Q267-H298 VanDerWaalsContact NE2-ND1 3.17Å; Q267-H298 PolarHBondContact OE1-CE1 3.27Å; Q267-H298 PolarHBondContact OE1-ND1 2.73Å; L273-H298 HydrophobicContact CD2-CB 4.2Å; G295-H298 WeakPolarHBondContact O-CB 3.29Å; G295-H298 PolarHBondContact O-CD2 3.04Å; G295-H298 VanDerWaalsContact O-CD2 3.25Å; G295-H298 PolarHBondContact O-N 3.15Å; G295-H298 VanDerWaalsContact O-N 3.09Å; I296-H298 PolarHBondContact O-N 3.3Å
299A91.8Very high95.3Very high0 Ų029.3 Ų29.30%013%0.129CC..  trans-79.8132.7-176.200000111.4V275 I296 T301V275-A299 HydrophobicContact CB-CB 4.43Å; V275-A299 HydrophobicContact CG2-CB 3.65Å; I296-A299 HydrophobicContact CD1-CB 3.84Å; I296-A299 WeakPolarHBondContact O-CB 3.44Å; I296-A299 PolarHBondContact O-N 3.2Å; A299-T301 VanDerWaalsContact C-N 3.33Å
300D89Confident95.3Very high25 Ų2527.8 Ų27.813%0.13412%0.123CC..SBendtrans-75-31.2169.4-60.9-75.7000110.7W272 L273 Y321 V322W272-D300 WeakPolarHBondContact CA-OD2 3.17Å; W272-D300 HydrophobicContact CD2-CB 3.74Å; W272-D300 HydrophobicContact CE3-CB 4.19Å; W272-D300 HydrophobicContact CG-CB 4.14Å; W272-D300 HydrophobicContact CH2-CB 4.44Å; W272-D300 HydrophobicContact CZ2-CB 4.03Å; L273-D300 PolarHBondContact N-OD2 3.37Å; L273-D300 PolarHBondContact O-N 2.89Å; D300-Y321 CarbonylContact O-C 3.58Å; D300-Y321 WeakPolarHBondContact O-CA 3.45Å; D300-V322 PolarHBondContact O-N 3.1Å
301T92Very high95.2Very high2 Ų223.8 Ų23.81%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-148148178.752.30000112S155 W272 L273 H274 V275 A299 F319 W320S155-T301 PolarHBondContact OG-OG1 3.42Å; W272-T301 HydrophobicContact CZ2-CG2 3.55Å; W272-T301 PolarHBondContact NE1-OG1 3.49Å; L273-T301 PolarHBondContact O-N 3.3Å; H274-T301 WeakPolarHBondContact CA-O 3.2Å; H274-T301 PolarHBondContact ND1-O 2.85Å; H274-T301 PolarHBondContact ND1-OG1 2.87Å; V275-T301 PolarHBondContact N-O 3.04Å; A299-T301 VanDerWaalsContact C-N 3.33Å; T301-F319 HydrophobicContact CG2-CE2 3.93Å; T301-F319 HydrophobicContact CG2-CZ 3.73Å; T301-W320 CarbonylContact C-O 3.09Å; T301-W320 WeakPolarHBondContact CA-O 3.13Å
302I95.5Very high95.2Very high0 Ų017.9 Ų17.90%09%0.087CC..EExtended strand (participates in β ladder)trans-136.6141173.4-175.7-172.4000110L128 F132 V275 F293 I296 F319 W320L128-I302 HydrophobicContact CD1-CG2 4.3Å; L128-I302 HydrophobicContact CD2-CD1 3.97Å; L128-I302 HydrophobicContact CD2-CG2 4.22Å; F132-I302 HydrophobicContact CD1-CG2 4.02Å; F132-I302 HydrophobicContact CE1-CG2 3.65Å; V275-I302 HydrophobicContact CB-CB 4.26Å; V275-I302 HydrophobicContact CB-CG1 4.05Å; V275-I302 HydrophobicContact CG1-CD1 4.43Å; V275-I302 HydrophobicContact CG1-CG1 4.06Å; V275-I302 WeakPolarHBondContact O-CA 3.4Å; V275-I302 WeakPolarHBondContact O-CG1 3.26Å; F293-I302 HydrophobicContact CD1-CD1 4.26Å; F293-I302 HydrophobicContact CE1-CD1 3.6Å; F293-I302 HydrophobicContact CE2-CD1 4.19Å; F293-I302 HydrophobicContact CZ-CD1 3.55Å; I296-I302 HydrophobicContact CD1-CB 4.18Å; I296-I302 HydrophobicContact CD1-CD1 3.69Å; I296-I302 HydrophobicContact CD1-CG1 4.13Å; I296-I302 HydrophobicContact CG1-CD1 4.14Å; I302-F319 CarbonylContact O-C 3.34Å; I302-F319 WeakPolarHBondContact O-CA 3.49Å; I302-F319 WeakPolarHBondContact O-CD2 3.38Å; I302-W320 HydrophobicContact CG2-CB 3.98Å; I302-W320 HydrophobicContact CG2-CE3 4.16Å; I302-W320 PolarHBondContact N-O 3.31Å; I302-W320 PolarHBondContact O-N 3.39Å
303N96.9Very high95.1Very high0 Ų018.6 Ų18.60%09%0.09CC..EExtended strand (participates in β ladder)trans-120.9150.2159.871.5-78.6000112.4A148 C151 H274 V275 D276 A277 A318 F319A148-N303 WeakPolarHBondContact CB-ND2 3.22Å; C151-N303 HydrophobicContact CB-CB 3.67Å; H274-N303 PolarHBondContact CE1-OD1 2.95Å; H274-N303 PolarHBondContact NE2-OD1 3.48Å; V275-N303 PolarHBondContact O-N 3.44Å; D276-N303 WeakPolarHBondContact CA-OD1 3.47Å; D276-N303 PolarHBondContact OD1-ND2 2.85Å; D276-N303 PolarHBondContact OD1-OD1 2.91Å; A277-N303 CarbonylContact C-O 3.5Å; A277-N303 WeakPolarHBondContact CA-O 3.44Å; A277-N303 WeakPolarHBondContact CB-O 3.24Å; A277-N303 PolarHBondContact N-O 3.45Å; N303-A318 CarbonylContact C-O 3.4Å; N303-A318 WeakPolarHBondContact CA-O 3.17Å; N303-F319 HydrophobicContact CB-CD2 4.15Å
304F97.4Very high95.1Very high0 Ų024 Ų240%011%0.114CC..EExtended strand (participates in β ladder)trans-141.1165.3153.871.7-90.5000110.4L122 V126 A277 P306 M310 A318 W320L122-F304 HydrophobicContact CD1-CE2 4.23Å; L122-F304 HydrophobicContact CD1-CZ 3.75Å; L122-F304 HydrophobicContact CD2-CE2 4.26Å; L122-F304 HydrophobicContact CD2-CZ 3.72Å; L122-F304 HydrophobicContact CG-CE1 4.43Å; L122-F304 HydrophobicContact CG-CE2 4.43Å; L122-F304 HydrophobicContact CG-CZ 3.62Å; V126-F304 HydrophobicContact CB-CE1 4.43Å; V126-F304 HydrophobicContact CB-CZ 4.46Å; V126-F304 HydrophobicContact CG1-CE1 3.97Å; V126-F304 HydrophobicContact CG1-CE2 4.27Å; V126-F304 HydrophobicContact CG1-CZ 3.54Å; V126-F304 HydrophobicContact CG2-CE1 3.95Å; V126-F304 HydrophobicContact CG2-CZ 4.29Å; A277-F304 HydrophobicContact CB-CB 4.26Å; A277-F304 WeakPolarHBondContact O-CB 3.45Å; F304-P306 HydrophobicContact CD2-CG 4.21Å; F304-P306 HydrophobicContact CE2-CG 3.74Å; F304-P306 HydrophobicContact CZ-CG 4.49Å; F304-P306 WeakPolarHBondContact O-CD 3.49Å; F304-M310 HydrophobicContact CE2-SD 3.69Å; F304-M310 HydrophobicContact CZ-SD 4.42Å; F304-A318 HydrophobicContact CE1-CB 4.45Å; F304-A318 HydrophobicContact CZ-CB 4.42Å; F304-A318 PolarHBondContact N-O 3.49Å; F304-A318 PolarHBondContact O-N 2.73Å; F304-W320 HydrophobicContact CD1-CH2 4.08Å; F304-W320 AromaticContact CD1-CZ3 3.58Å; F304-W320 HydrophobicContact CD1-CZ3 3.58Å; F304-W320 HydrophobicContact CE1-CE3 4.43Å; F304-W320 AromaticContact CE1-CH2 3.25Å; F304-W320 HydrophobicContact CE1-CH2 3.25Å; F304-W320 HydrophobicContact CE1-CZ2 4.47Å; F304-W320 AromaticContact CE1-CZ3 3.23Å; F304-W320 HydrophobicContact CE1-CZ3 3.23Å; F304-W320 AromaticContact CZ-CH2 3.77Å; F304-W320 HydrophobicContact CZ-CH2 3.77Å; F304-W320 HydrophobicContact CZ-CZ3 4.12Å
305N97.7Very high95.1Very high6 Ų619.1 Ų19.13%0.0329%0.092CC..  trans-112.196.4-173.9-64.33.7000110.5A278 C282 H307 K308 S317A278-N305 WeakPolarHBondContact O-CB 3.27Å; A278-N305 PolarHBondContact O-N 3.35Å; C282-N305 PolarHBondContact SG-O 3.36Å; N305-H307 VanDerWaalsContact CG-CE1 3.49Å; N305-H307 PolarHBondContact ND2-CE1 3.03Å; N305-H307 VanDerWaalsContact ND2-CE1 3.28Å; N305-H307 PolarHBondContact ND2-NE2 3.37Å; N305-H307 PolarHBondContact O-N 3.2Å; N305-K308 HydrophobicContact CB-CB 4.41Å; N305-K308 HydrophobicContact CB-CD 4.2Å; N305-K308 HydrophobicContact CB-CG 3.87Å; N305-K308 WeakPolarHBondContact O-CB 3.17Å; N305-K308 PolarHBondContact O-N 2.81Å; N305-S317 WeakPolarHBondContact OD1-CB 3.49Å; N305-S317 PolarHBondContact OD1-OG 3.1Å
306P97.8Very high95.1Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-50.9-29.2169.9-25.829.4000113.2L122 F304 K308 M310 I312 C316 A318 L401L122-P306 HydrophobicContact CD2-CG 3.84Å; F304-P306 HydrophobicContact CD2-CG 4.21Å; F304-P306 HydrophobicContact CE2-CG 3.74Å; F304-P306 HydrophobicContact CZ-CG 4.49Å; F304-P306 WeakPolarHBondContact O-CD 3.49Å; P306-K308 PolarHBondContact O-N 3.2Å; P306-K308 VanDerWaalsContact O-N 3.16Å; P306-M310 HydrophobicContact CB-CB 4.19Å; P306-M310 HydrophobicContact CB-SD 4.27Å; P306-M310 WeakPolarHBondContact O-CB 3.48Å; P306-M310 PolarHBondContact O-N 2.7Å; P306-M310 VanDerWaalsContact O-N 3.08Å; P306-I312 HydrophobicContact CB-CB 4.34Å; P306-I312 HydrophobicContact CB-CD1 3.4Å; P306-I312 VanDerWaalsContact CB-CD1 3.4Å; P306-I312 HydrophobicContact CB-CG1 4.49Å; P306-C316 VanDerWaalsContact CD-O 3.31Å; P306-C316 WeakPolarHBondContact CD-O 3.46Å; P306-A318 HydrophobicContact CG-CB 3.92Å; P306-L401 HydrophobicContact CB-CD2 4.15Å; P306-L401 HydrophobicContact CG-CD2 4.24Å
307H97.1Very high95.2Very high13 Ų1318.7 Ų18.76%0.069%0.089CC..Hα-helixtrans-68.3-4174.369.6-113.2000116T82 G83 N305 I312 F314 C316T82-H307 CarbonylContact C-O 3.5Å; T82-H307 WeakPolarHBondContact CA-O 3.04Å; G83-H307 PolarHBondContact N-O 3.4Å; N305-H307 VanDerWaalsContact CG-CE1 3.49Å; N305-H307 PolarHBondContact ND2-CE1 3.03Å; N305-H307 VanDerWaalsContact ND2-CE1 3.28Å; N305-H307 PolarHBondContact ND2-NE2 3.37Å; N305-H307 PolarHBondContact O-N 3.2Å; H307-I312 WeakPolarHBondContact CA-O 3.19Å; H307-F314 HydrophobicContact CB-CB 4.45Å; H307-F314 AromaticContact CD2-CD2 3.71Å; H307-F314 AromaticContact CG-CD2 3.94Å; H307-F314 AromaticContact NE2-CD2 3.8Å; H307-F314 AromaticContact NE2-CE2 3.97Å; H307-C316 HydrophobicContact CB-CB 4.11Å; H307-C316 WeakPolarHBondContact ND1-CA 3.22Å; H307-C316 PolarHBondContact ND1-N 2.9Å; H307-C316 PolarHBondContact ND1-O 3.29Å
308K96.4Very high95.6Very high25 Ų2514 Ų1411%0.1097%0.067CC..Hα-helixtrans-87.8-64.5172.2-72.2-171.6-175.9178.80110.5F80 P81 T82 G83 A278 N305 P306F80-K308 HydrophobicContact CB-CD 4.22Å; F80-K308 HydrophobicContact CD2-CD 4.49Å; P81-K308 CarbonylContact C-O 3.59Å; P81-K308 VanDerWaalsContact C-O 3.22Å; P81-K308 WeakPolarHBondContact CB-O 3.49Å; P81-K308 CarbonylContact O-C 3.56Å; P81-K308 WeakPolarHBondContact O-CA 3.32Å; P81-K308 VanDerWaalsContact O-O 3.13Å; T82-K308 CarbonylContact C-O 3.58Å; T82-K308 PolarHBondContact N-O 3.4Å; G83-K308 PolarHBondContact N-O 3.12Å; A278-K308 VanDerWaalsContact CB-NZ 3.28Å; A278-K308 WeakPolarHBondContact O-CD 3.09Å; N305-K308 HydrophobicContact CB-CB 4.41Å; N305-K308 HydrophobicContact CB-CD 4.2Å; N305-K308 HydrophobicContact CB-CG 3.87Å; N305-K308 WeakPolarHBondContact O-CB 3.17Å; N305-K308 PolarHBondContact O-N 2.81Å; P306-K308 PolarHBondContact O-N 3.2Å; P306-K308 VanDerWaalsContact O-N 3.16Å
309A94.5Very high95.7Very high7 Ų713.2 Ų13.26%0.0586%0.063CC..Hα-helixtrans-131.819.7-167.700000115.1Y279 C282 F417Y279-A309 HydrophobicContact CD2-CB 4.5Å; Y279-A309 HydrophobicContact CE2-CB 4.22Å; C282-A309 HydrophobicContact CB-CB 3.88Å; A309-F417 HydrophobicContact CB-CD2 3.96Å; A309-F417 HydrophobicContact CB-CE2 3.54Å
310M96.2Very high95.7Very high0 Ų013.2 Ų13.20%06%0.063CC..SBendtrans-112.921.8175.1-69.4-173.461.800114.2L122 C282 I285 F304 P306 I312 I413L122-M310 HydrophobicContact CD1-CE 3.6Å; L122-M310 HydrophobicContact CD1-SD 3.99Å; C282-M310 HydrophobicContact CB-CG 3.84Å; I285-M310 HydrophobicContact CD1-CE 3.91Å; F304-M310 HydrophobicContact CE2-SD 3.69Å; F304-M310 HydrophobicContact CZ-SD 4.42Å; P306-M310 HydrophobicContact CB-CB 4.19Å; P306-M310 HydrophobicContact CB-SD 4.27Å; P306-M310 WeakPolarHBondContact O-CB 3.48Å; P306-M310 PolarHBondContact O-N 2.7Å; P306-M310 VanDerWaalsContact O-N 3.08Å; M310-I312 HydrophobicContact CB-CD1 3.95Å; M310-I312 PolarHBondContact O-N 2.96Å; M310-I413 HydrophobicContact CB-CG2 4.36Å; M310-I413 HydrophobicContact CE-CG2 4.35Å; M310-I413 HydrophobicContact CG-CG2 4.35Å
311M96.5Very high95.4Very high20 Ų2013.9 Ų13.910%0.0996%0.064CC..SBendtrans61.923.1177.3-52.3173.561.200114.7N84 S85 T404 F408 N416 T503N84-M311 CarbonylContact C-O 3.52Å; S85-M311 VanDerWaalsContact CB-O 3.25Å; S85-M311 WeakPolarHBondContact CB-O 3.18Å; S85-M311 PolarHBondContact N-O 2.96Å; S85-M311 PolarHBondContact OG-O 3.27Å; M311-T404 HydrophobicContact CB-CG2 4.41Å; M311-F408 HydrophobicContact CE-CD2 4.1Å; M311-F408 HydrophobicContact CE-CE1 4.45Å; M311-F408 HydrophobicContact CE-CE2 3.64Å; M311-F408 HydrophobicContact CE-CZ 3.84Å; M311-N416 HydrophobicContact SD-CB 3.78Å; M311-T503 HydrophobicContact CG-CG2 4.21Å
312I97.2Very high94.4Very high0 Ų014 Ų140%07%0.065CC..  trans-104.2138.8176.3-67.6145.8000108G83 P306 H307 M310 C316 K400 L401 T404G83-I312 CarbonylContact C-O 3.56Å; G83-I312 WeakPolarHBondContact CA-O 3.33Å; G83-I312 CarbonylContact O-C 3.54Å; P306-I312 HydrophobicContact CB-CB 4.34Å; P306-I312 HydrophobicContact CB-CD1 3.4Å; P306-I312 VanDerWaalsContact CB-CD1 3.4Å; P306-I312 HydrophobicContact CB-CG1 4.49Å; H307-I312 WeakPolarHBondContact CA-O 3.19Å; M310-I312 HydrophobicContact CB-CD1 3.95Å; M310-I312 PolarHBondContact O-N 2.96Å; I312-C316 HydrophobicContact CG2-CB 3.97Å; I312-K400 HydrophobicContact CG2-CB 4.49Å; I312-K400 HydrophobicContact CG2-CD 3.87Å; I312-K400 HydrophobicContact CG2-CG 4.04Å; I312-L401 HydrophobicContact CD1-CD2 3.3Å; I312-L401 HydrophobicContact CD1-CG 3.98Å; I312-L401 HydrophobicContact CG1-CD2 4.35Å; I312-T404 HydrophobicContact CG1-CG2 3.97Å
313N95.7Very high92.4Very high19 Ų1916.5 Ų16.510%0.1028%0.082CC..PPolyproline II helixtrans-79.4150.1-177.768.5-65000112.5G83 N84 A88 D92 K400G83-N313 WeakPolarHBondContact O-CA 3.46Å; N84-N313 WeakPolarHBondContact OD1-CB 3.43Å; A88-N313 HydrophobicContact CB-CB 4.41Å; A88-N313 WeakPolarHBondContact CB-OD1 3.02Å; A88-N313 PolarHBondContact O-OD1 3.44Å; D92-N313 PolarHBondContact OD2-ND2 3.34Å; N313-K400 PolarHBondContact O-NZ 3.33Å; N313-K400 WeakPolarHBondContact OD1-CD 3.4Å
314F96.3Very high90.1Very high125 Ų12518.1 Ų18.155%0.5489%0.091SC..SBendtrans-59139.5175.2-173.6-91.5000111.2T147 H307T147-F314 HydrophobicContact CG2-CE2 4.32Å; T147-F314 HydrophobicContact CG2-CZ 4.06Å; H307-F314 HydrophobicContact CB-CB 4.45Å; H307-F314 AromaticContact CD2-CD2 3.71Å; H307-F314 AromaticContact CG-CD2 3.94Å; H307-F314 AromaticContact NE2-CD2 3.8Å; H307-F314 AromaticContact NE2-CE2 3.97Å
315D96.2Very high87.5Confident23 Ų2322.6 Ų22.612%0.12311%0.114CC..SBendcis-99142.91.667.4-37000112.9S146 R397 K400S146-D315 WeakPolarHBondContact CA-OD2 3.05Å; S146-D315 WeakPolarHBondContact CB-OD2 3.35Å; S146-D315 WeakPolarHBondContact O-CB 3.32Å; D315-R397 IonicContact OD1-NE 2.83Å; D315-R397 IonicContact OD2-CZ 3.41Å; D315-R397 IonicContact OD2-NE 3.7Å; D315-R397 PolarHBondContact OD2-NE 2.9Å; D315-R397 VanDerWaalsContact OD2-NE 3.12Å; D315-R397 IonicContact OD2-NH2 3.9Å; D315-R397 PolarHBondContact OD2-NH2 3.25Å; D315-K400 WeakPolarHBondContact O-CE 3.49Å; D315-K400 PolarHBondContact O-NZ 3.33Å; D315-K400 IonicContact OD1-NZ 3.6Å
316C97.3Very high84.6Confident0 Ų024.8 Ų24.80%013%0.13CC..  trans-17089.2-179.8-173.40000110.7P306 H307 I312 L401P306-C316 VanDerWaalsContact CD-O 3.31Å; P306-C316 WeakPolarHBondContact CD-O 3.46Å; H307-C316 HydrophobicContact CB-CB 4.11Å; H307-C316 WeakPolarHBondContact ND1-CA 3.22Å; H307-C316 PolarHBondContact ND1-N 2.9Å; H307-C316 PolarHBondContact ND1-O 3.29Å; I312-C316 HydrophobicContact CG2-CB 3.97Å; C316-L401 VanDerWaalsContact SG-CD1 3.5Å
317S96.9Very high81.8Confident0 Ų029.6 Ų29.60%016%0.155CC..EExtended strand (participates in β ladder)trans-106.2114173.9-167.70000108.6I144 Q145 A148 C151 N305I144-S317 CarbonylContact C-O 3.51Å; I144-S317 WeakPolarHBondContact CA-O 3.17Å; Q145-S317 PolarHBondContact N-O 3.39Å; Q145-S317 PolarHBondContact O-N 3.16Å; A148-S317 PolarHBondContact N-OG 2.99Å; C151-S317 PolarHBondContact SG-OG 3.37Å; N305-S317 WeakPolarHBondContact OD1-CB 3.49Å; N305-S317 PolarHBondContact OD1-OG 3.1Å
318A97.5Very high79.2Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-82.7119.1179.900000107.7M119 L122 N303 F304 P306 W320M119-A318 HydrophobicContact CE-CB 3.86Å; M119-A318 HydrophobicContact SD-CB 4.17Å; L122-A318 HydrophobicContact CD2-CB 3.57Å; N303-A318 CarbonylContact C-O 3.4Å; N303-A318 WeakPolarHBondContact CA-O 3.17Å; F304-A318 HydrophobicContact CE1-CB 4.45Å; F304-A318 HydrophobicContact CZ-CB 4.42Å; F304-A318 PolarHBondContact N-O 3.49Å; F304-A318 PolarHBondContact O-N 2.73Å; P306-A318 HydrophobicContact CG-CB 3.92Å; A318-W320 HydrophobicContact CB-CE3 4.39Å; A318-W320 HydrophobicContact CB-CH2 3.46Å; A318-W320 VanDerWaalsContact CB-CH2 3.46Å; A318-W320 HydrophobicContact CB-CZ2 4.48Å; A318-W320 HydrophobicContact CB-CZ3 3.4Å; A318-W320 WeakPolarHBondContact O-CZ3 3.18Å
319F94.8Very high76.5Confident13 Ų1336 Ų366%0.05719%0.191CC..EExtended strand (participates in β ladder)trans-124125.9-174.5178.4-125.7000109.3G142 V143 Q145 C151 L154 H274 T301 I302 N303G142-F319 CarbonylContact C-O 2.83Å; G142-F319 VanDerWaalsContact CA-O 3.3Å; G142-F319 WeakPolarHBondContact CA-O 3.33Å; V143-F319 HydrophobicContact CG1-CB 4.16Å; V143-F319 HydrophobicContact CG1-CD1 3.78Å; V143-F319 HydrophobicContact CG1-CG 4.44Å; V143-F319 PolarHBondContact N-O 3.09Å; V143-F319 PolarHBondContact O-N 3.49Å; Q145-F319 HydrophobicContact CG-CB 3.96Å; Q145-F319 HydrophobicContact CG-CD1 4.33Å; Q145-F319 HydrophobicContact CG-CG 4.44Å; C151-F319 HydrophobicContact CB-CB 4.34Å; C151-F319 HydrophobicContact CB-CD2 3.69Å; C151-F319 HydrophobicContact CB-CE2 4.12Å; C151-F319 HydrophobicContact CB-CG 4.06Å; L154-F319 HydrophobicContact CB-CE1 4.37Å; H274-F319 AromaticContact CE1-CE2 3.93Å; T301-F319 HydrophobicContact CG2-CE2 3.93Å; T301-F319 HydrophobicContact CG2-CZ 3.73Å; I302-F319 CarbonylContact O-C 3.34Å; I302-F319 WeakPolarHBondContact O-CA 3.49Å; I302-F319 WeakPolarHBondContact O-CD2 3.38Å; N303-F319 HydrophobicContact CB-CD2 4.15Å
320W91.1Very high73.8Confident0 Ų044.3 Ų44.30%023%0.231CC..EExtended strand (participates in β ladder)trans-117.4148.8172.9-65.1-103.5000110.6M119 L122 A123 L128 F132 A141 T301 I302 F304 A318M119-W320 HydrophobicContact CE-CD2 3.78Å; M119-W320 HydrophobicContact CE-CE3 4.07Å; M119-W320 HydrophobicContact CE-CG 4.48Å; M119-W320 HydrophobicContact CE-CH2 3.67Å; M119-W320 HydrophobicContact CE-CZ2 3.34Å; M119-W320 HydrophobicContact CE-CZ3 4.01Å; M119-W320 HydrophobicContact SD-CZ2 4.28Å; L122-W320 HydrophobicContact CB-CH2 4.35Å; L122-W320 HydrophobicContact CB-CZ2 4.11Å; L122-W320 HydrophobicContact CD2-CH2 3.61Å; L122-W320 HydrophobicContact CD2-CZ2 4.11Å; L122-W320 HydrophobicContact CG-CH2 3.79Å; L122-W320 HydrophobicContact CG-CZ2 4.06Å; A123-W320 HydrophobicContact CB-CZ2 4.01Å; L128-W320 HydrophobicContact CD1-CD2 3.7Å; L128-W320 HydrophobicContact CD1-CE3 3.91Å; L128-W320 HydrophobicContact CD1-CG 4.13Å; L128-W320 HydrophobicContact CD1-CH2 4.34Å; L128-W320 HydrophobicContact CD1-CZ2 4.15Å; L128-W320 HydrophobicContact CD1-CZ3 4.24Å; F132-W320 HydrophobicContact CD1-CB 3.64Å; F132-W320 HydrophobicContact CD1-CG 4.29Å; F132-W320 HydrophobicContact CE1-CB 4.39Å; F132-W320 VanDerWaalsContact O-CD1 3.29Å; A141-W320 WeakPolarHBondContact O-CA 3.44Å; T301-W320 CarbonylContact C-O 3.09Å; T301-W320 WeakPolarHBondContact CA-O 3.13Å; I302-W320 HydrophobicContact CG2-CB 3.98Å; I302-W320 HydrophobicContact CG2-CE3 4.16Å; I302-W320 PolarHBondContact N-O 3.31Å; I302-W320 PolarHBondContact O-N 3.39Å; F304-W320 HydrophobicContact CD1-CH2 4.08Å; F304-W320 AromaticContact CD1-CZ3 3.58Å; F304-W320 HydrophobicContact CD1-CZ3 3.58Å; F304-W320 HydrophobicContact CE1-CE3 4.43Å; F304-W320 AromaticContact CE1-CH2 3.25Å; F304-W320 HydrophobicContact CE1-CH2 3.25Å; F304-W320 HydrophobicContact CE1-CZ2 4.47Å; F304-W320 AromaticContact CE1-CZ3 3.23Å; F304-W320 HydrophobicContact CE1-CZ3 3.23Å; F304-W320 AromaticContact CZ-CH2 3.77Å; F304-W320 HydrophobicContact CZ-CH2 3.77Å; F304-W320 HydrophobicContact CZ-CZ3 4.12Å; A318-W320 HydrophobicContact CB-CE3 4.39Å; A318-W320 HydrophobicContact CB-CH2 3.46Å; A318-W320 VanDerWaalsContact CB-CH2 3.46Å; A318-W320 HydrophobicContact CB-CZ2 4.48Å; A318-W320 HydrophobicContact CB-CZ3 3.4Å; A318-W320 WeakPolarHBondContact O-CZ3 3.18Å
321Y82.2Confident71.2Confident39 Ų3952.7 Ų52.715%0.15327%0.267CS..EExtended strand (participates in β ladder)trans-122.6147.9170.863.9-81.7000108.6G140 A141 D300 W388G140-Y321 WeakPolarHBondContact CA-O 3.31Å; A141-Y321 HydrophobicContact CB-CE1 3.77Å; A141-Y321 WeakPolarHBondContact CB-OH 3.35Å; A141-Y321 PolarHBondContact N-O 3.16Å; A141-Y321 WeakPolarHBondContact O-CD1 3.44Å; A141-Y321 WeakPolarHBondContact O-CE1 3.47Å; A141-Y321 PolarHBondContact O-N 3.25Å; D300-Y321 CarbonylContact O-C 3.58Å; D300-Y321 WeakPolarHBondContact O-CA 3.45Å; Y321-W388 HydrophobicContact CD1-CD2 4.43Å; Y321-W388 HydrophobicContact CD1-CE3 4.07Å; Y321-W388 HydrophobicContact CD1-CZ3 4.29Å; Y321-W388 AromaticContact CE1-CD2 3.74Å; Y321-W388 HydrophobicContact CE1-CD2 3.74Å; Y321-W388 AromaticContact CE1-CE2 3.8Å; Y321-W388 AromaticContact CE1-CE3 3.33Å; Y321-W388 HydrophobicContact CE1-CE3 3.33Å; Y321-W388 AromaticContact CE1-CH2 3.44Å; Y321-W388 HydrophobicContact CE1-CH2 3.44Å; Y321-W388 VanDerWaalsContact CE1-CH2 3.44Å; Y321-W388 AromaticContact CE1-CZ2 3.69Å; Y321-W388 HydrophobicContact CE1-CZ2 3.69Å; Y321-W388 AromaticContact CE1-CZ3 3.22Å; Y321-W388 HydrophobicContact CE1-CZ3 3.22Å; Y321-W388 AromaticContact CZ-CE2 3.82Å; Y321-W388 AromaticContact CZ-CH2 3.48Å; Y321-W388 VanDerWaalsContact CZ-CH2 3.48Å; Y321-W388 AromaticContact CZ-CZ2 3.45Å; Y321-W388 VanDerWaalsContact CZ-CZ2 3.45Å; Y321-W388 AromaticContact CZ-CZ3 3.82Å; Y321-W388 WeakPolarHBondContact OH-CH2 3.43Å; Y321-W388 WeakPolarHBondContact OH-CZ2 3.34Å
322V71.7Confident68.6Low3 Ų354.7 Ų54.72%0.01828%0.278CS..  trans-132.3119171.9-178.90000106.2E131 F132 P139 D300 L324E131-V322 HydrophobicContact CB-CG1 4.16Å; F132-V322 HydrophobicContact CB-CG2 4.24Å; F132-V322 HydrophobicContact CD1-CG2 3.25Å; F132-V322 HydrophobicContact CD2-CG2 3.75Å; F132-V322 HydrophobicContact CE1-CB 4.45Å; F132-V322 HydrophobicContact CE1-CG2 3.32Å; F132-V322 HydrophobicContact CE2-CG2 3.81Å; F132-V322 HydrophobicContact CG-CG2 3.47Å; F132-V322 VanDerWaalsContact CG-CG2 3.47Å; F132-V322 HydrophobicContact CZ-CG2 3.6Å; P139-V322 HydrophobicContact CG-CG1 3.84Å; D300-V322 PolarHBondContact O-N 3.1Å; V322-L324 HydrophobicContact CB-CD2 4.47Å; V322-L324 HydrophobicContact CB-CG 4.4Å; V322-L324 HydrophobicContact CG1-CD2 3.6Å; V322-L324 HydrophobicContact CG1-CG 3.94Å; V322-L324 PolarHBondContact O-N 2.93Å
323S53.7Low65.8Low53 Ų5360.2 Ų60.237%0.37131%0.306SS..  trans-75.881.7171.2-171.60000109P139 L325 S326P139-S323 WeakPolarHBondContact CG-O 3.19Å; S323-L325 PolarHBondContact O-N 3.36Å; S323-L325 VanDerWaalsContact O-N 3.16Å; S323-S326 WeakPolarHBondContact O-CB 3.46Å; S323-S326 PolarHBondContact O-N 3.42Å; S323-S326 PolarHBondContact O-OG 3.2Å
324L47.5Very low63Low35 Ų3565.4 Ų65.418%0.18333%0.329CS..G310 helixtrans-64.4-15.3178.1-69.7177.8000112.6V322 S326 L327V322-L324 HydrophobicContact CB-CD2 4.47Å; V322-L324 HydrophobicContact CB-CG 4.4Å; V322-L324 HydrophobicContact CG1-CD2 3.6Å; V322-L324 HydrophobicContact CG1-CG 3.94Å; V322-L324 PolarHBondContact O-N 2.93Å; L324-S326 PolarHBondContact O-N 2.99Å; L324-L327 HydrophobicContact CD2-CD1 3.54Å; L324-L327 PolarHBondContact O-N 3.12Å
325L43Very low60.1Low93 Ų9364.8 Ų64.849%0.48732%0.324SS..G310 helixtrans-63-3.9168.6-76.1170.6000113.4L162 S323 N329 I346L162-L325 HydrophobicContact CD2-CD1 4.04Å; S323-L325 PolarHBondContact O-N 3.36Å; S323-L325 VanDerWaalsContact O-N 3.16Å; L325-N329 PolarHBondContact O-ND2 2.89Å; L325-I346 HydrophobicContact CD1-CD1 3.19Å
326S36.6Very low57.2Low52 Ų5265.4 Ų65.436%0.36433%0.327SS..G310 helixtrans-90.6-17.7174.962.50000114.8P139 S323 L324P139-S326 WeakPolarHBondContact CG-OG 3.33Å; S323-S326 WeakPolarHBondContact O-CB 3.46Å; S323-S326 PolarHBondContact O-N 3.42Å; S323-S326 PolarHBondContact O-OG 3.2Å; L324-S326 PolarHBondContact O-N 2.99Å
327L40.1Very low54.2Low102 Ų10273.7 Ų73.753%0.53436%0.359SS..THydrogen-bonded Turntrans-87.3-15.1-161.6-78.7161.9000116.2L324L324-L327 HydrophobicContact CD2-CD1 3.54Å; L324-L327 PolarHBondContact O-N 3.12Å
328D41.2Very low51.3Low151 Ų15179.7 Ų79.781%0.80739%0.392SS*.THydrogen-bonded Turntrans-106.622.8-176.2-127.6-9.9000114.5
329N40.3Very low48.3Very low21 Ų2187.4 Ų87.411%0.11242%0.421CS..  trans-122.136.6-147.3-70.4-3.5000115.6L325 L332 M333L325-N329 PolarHBondContact O-ND2 2.89Å; N329-L332 HydrophobicContact CB-CB 3.53Å; N329-L332 VanDerWaalsContact CG-CD2 3.47Å; N329-L332 WeakPolarHBondContact ND2-CB 3.4Å; N329-L332 WeakPolarHBondContact ND2-CD2 3.26Å; N329-L332 WeakPolarHBondContact OD1-CB 3.45Å; N329-L332 VanDerWaalsContact OD1-CD2 3.27Å; N329-L332 WeakPolarHBondContact OD1-CD2 3.4Å; N329-M333 HydrophobicContact CB-CG 3.98Å; N329-M333 WeakPolarHBondContact O-CA 3.42Å; N329-M333 WeakPolarHBondContact O-CB 3.49Å; N329-M333 WeakPolarHBondContact O-CG 3.38Å; N329-M333 PolarHBondContact O-N 3.5Å
330M37.3Very low45.3Very low181 Ų18191.4 Ų91.489%0.89244%0.441SS*.Hα-helixtrans-63.3-41157.3-116.6-169.8168.300109.7E334M330-E334 WeakPolarHBondContact O-CB 3.25Å; M330-E334 PolarHBondContact O-N 3.31Å; M330-E334 VanDerWaalsContact O-N 3.08Å
331K42.6Very low42.4Very low176 Ų176100.9 Ų100.977%0.76548%0.482SS*.Hα-helixtrans-77.7-34.8174.4-76.2-177.8176.51770113.9Y335K331-Y335 WeakPolarHBondContact O-CB 3.26Å; K331-Y335 PolarHBondContact O-N 2.87Å
332L41.6Very low40.2Very low63 Ų63103.4 Ų103.433%0.3350%0.498SS..Hα-helixtrans-77.6-31.2174.2-154.472.8000111.5N329 E334 Y335 L336N329-L332 HydrophobicContact CB-CB 3.53Å; N329-L332 VanDerWaalsContact CG-CD2 3.47Å; N329-L332 WeakPolarHBondContact ND2-CB 3.4Å; N329-L332 WeakPolarHBondContact ND2-CD2 3.26Å; N329-L332 WeakPolarHBondContact OD1-CB 3.45Å; N329-L332 VanDerWaalsContact OD1-CD2 3.27Å; N329-L332 WeakPolarHBondContact OD1-CD2 3.4Å; L332-E334 VanDerWaalsContact C-N 3.33Å; L332-Y335 HydrophobicContact CD1-CD1 3.86Å; L332-Y335 CarbonylContact O-C 3.59Å; L332-Y335 PolarHBondContact O-N 3.09Å; L332-L336 HydrophobicContact CB-CD1 4.39Å; L332-L336 HydrophobicContact CD2-CD1 3.87Å; L332-L336 HydrophobicContact CD2-CG 4.45Å; L332-L336 HydrophobicContact CG-CD1 3.74Å; L332-L336 HydrophobicContact CG-CG 3.91Å; L332-L336 WeakPolarHBondContact O-CA 3.42Å; L332-L336 WeakPolarHBondContact O-CB 3.44Å; L332-L336 WeakPolarHBondContact O-CD1 3.45Å; L332-L336 WeakPolarHBondContact O-CG 3.35Å; L332-L336 PolarHBondContact O-N 3.04Å
333M37.4Very low38.1Very low116 Ų116106.4 Ų106.457%0.57152%0.517SS*.Hα-helixtrans-67.8-37.4171.4-71.5-67.1-82.100109.7N329 Y337N329-M333 HydrophobicContact CB-CG 3.98Å; N329-M333 WeakPolarHBondContact O-CA 3.42Å; N329-M333 WeakPolarHBondContact O-CB 3.49Å; N329-M333 WeakPolarHBondContact O-CG 3.38Å; N329-M333 PolarHBondContact O-N 3.5Å; M333-Y337 WeakPolarHBondContact O-CA 3.49Å; M333-Y337 WeakPolarHBondContact O-CB 3.39Å; M333-Y337 PolarHBondContact O-N 2.86Å
334E37.3Very low37.1Very low127 Ų127109.6 Ų109.659%0.59352%0.52SS*.Hα-helixtrans-67.8-38172-168174.3-165.200112.2M330 L332 N338M330-E334 WeakPolarHBondContact O-CB 3.25Å; M330-E334 PolarHBondContact O-N 3.31Å; M330-E334 VanDerWaalsContact O-N 3.08Å; L332-E334 VanDerWaalsContact C-N 3.33Å; E334-N338 WeakPolarHBondContact O-CB 3.45Å; E334-N338 PolarHBondContact O-N 2.9Å; E334-N338 PolarHBondContact O-ND2 2.88Å
335Y36Very low37Very low112 Ų112112 Ų11244%0.43953%0.53SS..Hα-helixtrans-70.9-41.4175177-100000112.9K331 L332 N338 R339K331-Y335 WeakPolarHBondContact O-CB 3.26Å; K331-Y335 PolarHBondContact O-N 2.87Å; L332-Y335 HydrophobicContact CD1-CD1 3.86Å; L332-Y335 CarbonylContact O-C 3.59Å; L332-Y335 PolarHBondContact O-N 3.09Å; Y335-N338 CarbonylContact O-C 3.58Å; Y335-N338 PolarHBondContact O-N 2.72Å; Y335-R339 WeakPolarHBondContact O-CB 3.22Å; Y335-R339 PolarHBondContact O-N 2.89Å; Y335-R339 VanDerWaalsContact OH-CZ 3.3Å; Y335-R339 PolarHBondContact OH-NH1 2.89Å
336L34.3Very low37Very low36 Ų36109.8 Ų109.819%0.18852%0.518CS..Hα-helixtrans-68.7-43.3175.2-70.3167.5000108.5L332 N338 R339 M340 T343L332-L336 HydrophobicContact CB-CD1 4.39Å; L332-L336 HydrophobicContact CD2-CD1 3.87Å; L332-L336 HydrophobicContact CD2-CG 4.45Å; L332-L336 HydrophobicContact CG-CD1 3.74Å; L332-L336 HydrophobicContact CG-CG 3.91Å; L332-L336 WeakPolarHBondContact O-CA 3.42Å; L332-L336 WeakPolarHBondContact O-CB 3.44Å; L332-L336 WeakPolarHBondContact O-CD1 3.45Å; L332-L336 WeakPolarHBondContact O-CG 3.35Å; L332-L336 PolarHBondContact O-N 3.04Å; L336-N338 PolarHBondContact O-N 2.67Å; L336-R339 CarbonylContact O-C 3.41Å; L336-R339 VanDerWaalsContact O-C 3.31Å; L336-R339 PolarHBondContact O-N 2.86Å; L336-M340 HydrophobicContact CB-CG 4.38Å; L336-M340 WeakPolarHBondContact O-CA 3.36Å; L336-M340 WeakPolarHBondContact O-CB 3.38Å; L336-M340 WeakPolarHBondContact O-CG 3.43Å; L336-M340 PolarHBondContact O-N 2.91Å; L336-T343 HydrophobicContact CD2-CG2 3.53Å
337Y35.3Very low37.4Very low174 Ų174111.3 Ų111.368%0.68252%0.519SS*.Hα-helixtrans-57.1-38.4173.3-167.7-93.6000112.5M333 M340M333-Y337 WeakPolarHBondContact O-CA 3.49Å; M333-Y337 WeakPolarHBondContact O-CB 3.39Å; M333-Y337 PolarHBondContact O-N 2.86Å; Y337-M340 HydrophobicContact CD2-CE 3.66Å; Y337-M340 HydrophobicContact CG-CE 4.16Å
338N36Very low37.7Very low127 Ų127109.8 Ų109.868%0.67951%0.509SS*.Hα-helixtrans-82.9-11.2174.4-69.9-51.5000114.7E334 Y335 L336E334-N338 WeakPolarHBondContact O-CB 3.45Å; E334-N338 PolarHBondContact O-N 2.9Å; E334-N338 PolarHBondContact O-ND2 2.88Å; Y335-N338 CarbonylContact O-C 3.58Å; Y335-N338 PolarHBondContact O-N 2.72Å; L336-N338 PolarHBondContact O-N 2.67Å
339R34.3Very low38.1Very low162 Ų162104 Ų10461%0.61148%0.479SS*.Hα-helixtrans-115.84.9175.7-92.3-163.2167.6-172.9-6.4114.7Y335 L336 K341 D342Y335-R339 WeakPolarHBondContact O-CB 3.22Å; Y335-R339 PolarHBondContact O-N 2.89Å; Y335-R339 VanDerWaalsContact OH-CZ 3.3Å; Y335-R339 PolarHBondContact OH-NH1 2.89Å; L336-R339 CarbonylContact O-C 3.41Å; L336-R339 VanDerWaalsContact O-C 3.31Å; L336-R339 PolarHBondContact O-N 2.86Å; R339-K341 PolarHBondContact O-N 2.8Å; R339-D342 PolarHBondContact O-N 2.81Å
340M32.5Very low38.7Very low96 Ų96105.3 Ų105.347%0.47348%0.484SS..THydrogen-bonded Turntrans-71.723.1-164.4-111.6-166.9-64.800115L336 Y337 D342L336-M340 HydrophobicContact CB-CG 4.38Å; L336-M340 WeakPolarHBondContact O-CA 3.36Å; L336-M340 WeakPolarHBondContact O-CB 3.38Å; L336-M340 WeakPolarHBondContact O-CG 3.43Å; L336-M340 PolarHBondContact O-N 2.91Å; Y337-M340 HydrophobicContact CD2-CE 3.66Å; Y337-M340 HydrophobicContact CG-CE 4.16Å; M340-D342 VanDerWaalsContact C-N 3.33Å
341K29.6Very low39.6Very low199 Ų199100.6 Ų100.687%0.86546%0.458SS*.THydrogen-bonded Turntrans-79.9-7.8159.5-77.5-167.5172.5-174.30113.8R339R339-K341 PolarHBondContact O-N 2.8Å
342D35.4Very low40Very low93 Ų9397 Ų9750%0.49745%0.451SS..SBendtrans-146.526.2-171.1-157.815000117.4R339 M340 K345R339-D342 PolarHBondContact O-N 2.81Å; M340-D342 VanDerWaalsContact C-N 3.33Å; D342-K345 WeakPolarHBondContact O-CE 3.44Å; D342-K345 WeakPolarHBondContact OD1-CE 2.98Å; D342-K345 IonicContact OD1-NZ 2.87Å; D342-K345 PolarHBondContact OD1-NZ 3.09Å; D342-K345 IonicContact OD2-NZ 2.99Å; D342-K345 PolarHBondContact OD2-NZ 2.99Å
343T28Very low40.8Very low66 Ų6695.8 Ų95.841%0.40545%0.445SS..  trans-120.869.4-179.353.30000113.1L336L336-T343 HydrophobicContact CD2-CG2 3.53Å
344R33Very low41.8Very low119 Ų11991.9 Ų91.945%0.44943%0.428SS..  trans-115.820.7174.7-74.6175.9-77.3176.8-4.2112.8H348 E382R344-H348 PolarHBondContact O-CD2 3.41Å; R344-H348 PolarHBondContact O-NE2 2.87Å; R344-E382 IonicContact CZ-OE2 3.91Å; R344-E382 IonicContact NH1-OE2 2.64Å; R344-E382 PolarHBondContact NH1-OE2 2.75Å
345K44.8Very low43Very low87 Ų8794 Ų9438%0.37844%0.438SS..  trans-95.2-12.1-150.8-63.6-175.9-175168.60117.4D342D342-K345 WeakPolarHBondContact O-CE 3.44Å; D342-K345 WeakPolarHBondContact OD1-CE 2.98Å; D342-K345 IonicContact OD1-NZ 2.87Å; D342-K345 PolarHBondContact OD1-NZ 3.09Å; D342-K345 IonicContact OD2-NZ 2.99Å; D342-K345 PolarHBondContact OD2-NZ 2.99Å
346I42.8Very low44.6Very low45 Ų4596.6 Ų96.623%0.23145%0.449CS..SBendtrans-97.8-29.1175.7-60.1171000112L162 L325 H348 T349L162-I346 HydrophobicContact CB-CD1 4.38Å; L162-I346 HydrophobicContact CB-CG1 4Å; L162-I346 HydrophobicContact CD1-CD1 3.48Å; L162-I346 VanDerWaalsContact CD1-CD1 3.48Å; L162-I346 HydrophobicContact CD1-CG1 3.53Å; L162-I346 HydrophobicContact CD2-CD1 3.66Å; L162-I346 HydrophobicContact CD2-CG1 4.22Å; L162-I346 HydrophobicContact CG-CD1 3.99Å; L162-I346 HydrophobicContact CG-CG1 4.08Å; L325-I346 HydrophobicContact CD1-CD1 3.19Å; I346-H348 PolarHBondContact O-N 3.25Å; I346-H348 VanDerWaalsContact O-N 3.14Å; I346-T349 PolarHBondContact O-OG1 3.11Å
347E45.9Very low46.1Very low85 Ų8595.3 Ų95.340%0.39744%0.442SS..THydrogen-bonded Turntrans-78.6-0.1-167.9-55.1178143.700113.3T384 Q386E347-T384 HydrophobicContact CB-CG2 3.84Å; E347-T384 WeakPolarHBondContact OE2-CG2 3.49Å; E347-Q386 HydrophobicContact CB-CG 4.27Å; E347-Q386 WeakPolarHBondContact O-CG 2.85Å
348H45.9Very low47.5Very low70 Ų7092.7 Ų92.732%0.32443%0.434SS..THydrogen-bonded Turntrans-110.76.6-172.2-71.9-121.8000114.1R344 I346 F350 F351R344-H348 PolarHBondContact O-CD2 3.41Å; R344-H348 PolarHBondContact O-NE2 2.87Å; I346-H348 PolarHBondContact O-N 3.25Å; I346-H348 VanDerWaalsContact O-N 3.14Å; H348-F350 VanDerWaalsContact C-N 3.25Å; H348-F350 PolarHBondContact O-N 3.31Å; H348-F350 VanDerWaalsContact O-N 3.13Å; H348-F351 PolarHBondContact O-N 3.28Å
349T48.6Very low48.8Very low29 Ų2988.3 Ų88.318%0.17841%0.408CS..THydrogen-bonded Turntrans-58.6-33.4-167.4-56.60000114L157 K161 I346L157-T349 HydrophobicContact CB-CG2 4.38Å; L157-T349 HydrophobicContact CD2-CG2 4.03Å; L157-T349 HydrophobicContact CG-CG2 3.77Å; K161-T349 HydrophobicContact CB-CG2 4.05Å; K161-T349 WeakPolarHBondContact CB-OG1 3.5Å; K161-T349 HydrophobicContact CG-CG2 4.49Å; K161-T349 WeakPolarHBondContact CG-OG1 3.31Å; I346-T349 PolarHBondContact O-OG1 3.11Å
350F53.4Low50.2Low48 Ų4888.7 Ų88.721%0.21142%0.422CS..THydrogen-bonded Turntrans-121.112.4-176.2-58.8-79.6000113.5L154 L157 H348 V352 H387L154-F350 HydrophobicContact CB-CZ 4.1Å; L154-F350 HydrophobicContact CD2-CD1 4.09Å; L154-F350 HydrophobicContact CD2-CE1 3.3Å; L154-F350 HydrophobicContact CD2-CE2 3.83Å; L154-F350 HydrophobicContact CD2-CZ 3.18Å; L154-F350 HydrophobicContact CG-CZ 4.22Å; L157-F350 HydrophobicContact CB-CZ 4.19Å; L157-F350 HydrophobicContact CD2-CD1 4.22Å; L157-F350 HydrophobicContact CD2-CE1 3.4Å; L157-F350 VanDerWaalsContact CD2-CE1 3.4Å; L157-F350 HydrophobicContact CD2-CZ 3.77Å; L157-F350 HydrophobicContact CG-CE1 4.44Å; L157-F350 HydrophobicContact CG-CZ 4.36Å; H348-F350 VanDerWaalsContact C-N 3.25Å; H348-F350 PolarHBondContact O-N 3.31Å; H348-F350 VanDerWaalsContact O-N 3.13Å; F350-V352 PolarHBondContact O-N 3.15Å; F350-H387 HydrophobicContact CB-CB 3.55Å; F350-H387 VanDerWaalsContact CB-O 3.27Å; F350-H387 WeakPolarHBondContact CB-O 3.21Å; F350-H387 WeakPolarHBondContact CD2-O 3.28Å; F350-H387 WeakPolarHBondContact CG-O 3.29Å
351F56Low51.6Low82 Ų8288.4 Ų88.436%0.3642%0.42SS..  trans-70.1119.7-169.6174.5-108.2000112.1H348 D353 L385H348-F351 PolarHBondContact O-N 3.28Å; F351-D353 HydrophobicContact CD2-CB 4.07Å; F351-D353 HydrophobicContact CE1-CB 4.16Å; F351-D353 HydrophobicContact CE2-CB 3.16Å; F351-D353 HydrophobicContact CZ-CB 3.22Å; F351-L385 HydrophobicContact CD2-CB 4.23Å; F351-L385 WeakPolarHBondContact CD2-O 3.43Å; F351-L385 HydrophobicContact CE2-CB 3.96Å
352V50.7Low52.8Low101 Ų10179.6 Ų79.661%0.61238%0.382SS*.  trans-137.8106.9159.5-174.30000105.6F350 P354 H387F350-V352 PolarHBondContact O-N 3.15Å; V352-P354 WeakPolarHBondContact O-CD 3.47Å; V352-H387 PolarHBondContact O-CE1 3.46Å; V352-H387 VanDerWaalsContact O-CE1 3.26Å; V352-H387 PolarHBondContact O-NE2 3.49Å; V352-H387 VanDerWaalsContact O-NE2 3.1Å
353D60.1Low53.5Low37 Ų3776.3 Ų76.320%0.19837%0.37CS..  trans-103.780.7177.5175.537.6000110.6F351 K358F351-D353 HydrophobicContact CD2-CB 4.07Å; F351-D353 HydrophobicContact CE1-CB 4.16Å; F351-D353 HydrophobicContact CE2-CB 3.16Å; F351-D353 HydrophobicContact CZ-CB 3.22Å; D353-K358 WeakPolarHBondContact OD2-CE 3.47Å; D353-K358 IonicContact OD2-NZ 3.1Å; D353-K358 PolarHBondContact OD2-NZ 3.14Å; D353-K358 VanDerWaalsContact OD2-NZ 3.1Å
354P57.5Low54.4Low34 Ų3478.6 Ų78.622%0.22138%0.379CS..  trans-71.7137176.934.8-37.5000108.9V352 Y356 L357V352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-Y356 HydrophobicContact CB-CD1 3.55Å; P354-Y356 HydrophobicContact CB-CE1 3.32Å; P354-Y356 HydrophobicContact CG-CD1 3.84Å; P354-Y356 HydrophobicContact CG-CE1 3.31Å; P354-Y356 PolarHBondContact O-N 3.31Å; P354-L357 HydrophobicContact CG-CB 4.37Å; P354-L357 HydrophobicContact CG-CD1 3.51Å; P354-L357 HydrophobicContact CG-CG 3.82Å; P354-L357 PolarHBondContact O-N 3.1Å
355Q62.7Low55.2Low172 Ų17274.2 Ų74.280%0.80437%0.365SS*.G310 helixtrans-51.9-29.1-174-169.4176.99.200114.3L357 K358Q355-L357 PolarHBondContact O-N 3.27Å; Q355-K358 PolarHBondContact O-N 2.95Å
356Y69.7Low55.5Low167 Ų16770.1 Ų70.166%0.65535%0.347SS*.G310 helixtrans-72.1-7.6-179.277.2-89000114.8P354 L392P354-Y356 HydrophobicContact CB-CD1 3.55Å; P354-Y356 HydrophobicContact CB-CE1 3.32Å; P354-Y356 HydrophobicContact CG-CD1 3.84Å; P354-Y356 HydrophobicContact CG-CE1 3.31Å; P354-Y356 PolarHBondContact O-N 3.31Å; Y356-L392 WeakPolarHBondContact OH-CD2 3.17Å
357L65.2Low55.8Low9 Ų968 Ų685%0.04734%0.336CS..G310 helixtrans-109.27-179.4-61.2179.9000114.2F103 P354 Q355 Q362 R369 L392F103-L357 HydrophobicContact CD2-CD2 3.66Å; F103-L357 HydrophobicContact CE2-CD2 3.36Å; F103-L357 HydrophobicContact CG-CD2 4.45Å; F103-L357 HydrophobicContact CZ-CD2 3.91Å; P354-L357 HydrophobicContact CG-CB 4.37Å; P354-L357 HydrophobicContact CG-CD1 3.51Å; P354-L357 HydrophobicContact CG-CG 3.82Å; P354-L357 PolarHBondContact O-N 3.1Å; Q355-L357 PolarHBondContact O-N 3.27Å; L357-Q362 PolarHBondContact O-NE2 2.84Å; L357-R369 PolarHBondContact O-NH1 3.06Å; L357-R369 PolarHBondContact O-NH2 3.33Å; L357-R369 VanDerWaalsContact O-NH2 3.16Å; L357-L392 HydrophobicContact CD1-CD1 3.8Å; L357-L392 HydrophobicContact CD1-CD2 4.02Å
358K64.5Low56.1Low119 Ų11964.1 Ų64.152%0.51732%0.319SS..  trans-74.5144.8178.8-65.4-167.7173.1-158.20111.7D353 Q355D353-K358 WeakPolarHBondContact OD2-CE 3.47Å; D353-K358 IonicContact OD2-NZ 3.1Å; D353-K358 PolarHBondContact OD2-NZ 3.14Å; D353-K358 VanDerWaalsContact OD2-NZ 3.1Å; Q355-K358 PolarHBondContact O-N 2.95Å
359Y64.4Low55.9Low34 Ų3461.1 Ų61.113%0.13331%0.305CS..  trans-153.8156176.664.8-83.7000110.8W105 A106 Q361 Q362 D367 R369W105-Y359 HydrophobicContact CB-CE2 4.45Å; W105-Y359 HydrophobicContact CE3-CE2 4.12Å; A106-Y359 HydrophobicContact CB-CD1 3.74Å; A106-Y359 HydrophobicContact CB-CD2 3.5Å; A106-Y359 HydrophobicContact CB-CE1 4.16Å; A106-Y359 HydrophobicContact CB-CE2 3.93Å; A106-Y359 HydrophobicContact CB-CG 3.4Å; A106-Y359 VanDerWaalsContact CB-CG 3.4Å; Y359-Q361 HydrophobicContact CD2-CB 3.89Å; Y359-Q361 HydrophobicContact CE2-CB 3.78Å; Y359-Q361 PolarHBondContact O-N 3.11Å; Y359-Q362 HydrophobicContact CD1-CG 3.44Å; Y359-Q362 VanDerWaalsContact CD1-CG 3.44Å; Y359-Q362 HydrophobicContact CD2-CG 4.26Å; Y359-Q362 HydrophobicContact CE1-CB 4.4Å; Y359-Q362 HydrophobicContact CE1-CG 3.21Å; Y359-Q362 HydrophobicContact CE2-CG 4.1Å; Y359-Q362 HydrophobicContact CG-CG 3.95Å; Y359-Q362 WeakPolarHBondContact O-CG 3.37Å; Y359-Q362 PolarHBondContact O-N 3.41Å; Y359-Q362 VanDerWaalsContact O-N 3.15Å; Y359-D367 VanDerWaalsContact CE1-OD2 3.25Å; Y359-D367 WeakPolarHBondContact CE1-OD2 3.49Å; Y359-D367 WeakPolarHBondContact OH-CB 3.37Å; Y359-D367 PolarHBondContact OH-OD2 3.17Å; Y359-R369 VanDerWaalsContact CE1-NH2 3.32Å
360D64.4Low55.2Low170 Ų17059.8 Ų59.891%0.90930%0.296SS*.THydrogen-bonded Turntrans-61.8-18.4-168.1-61.2-15.2000115.3
361Q60.6Low54.3Low91 Ų9158.7 Ų58.743%0.42529%0.294SS..THydrogen-bonded Turntrans-106.613.4-176.5-66.4-179.4-31.200113.5Y359 G363 L364Y359-Q361 HydrophobicContact CD2-CB 3.89Å; Y359-Q361 HydrophobicContact CE2-CB 3.78Å; Y359-Q361 PolarHBondContact O-N 3.11Å; Q361-G363 PolarHBondContact O-N 3.35Å; Q361-L364 HydrophobicContact CB-CD1 3.93Å; Q361-L364 HydrophobicContact CG-CD1 3.97Å; Q361-L364 PolarHBondContact O-N 2.99Å
362Q55.3Low53.2Low13 Ų1355.7 Ų55.76%0.06128%0.282CS..THydrogen-bonded Turntrans-55.2130.5173.9-81.1-178.8-4400110.9L357 Y359 Q383 L385L357-Q362 PolarHBondContact O-NE2 2.84Å; Y359-Q362 HydrophobicContact CD1-CG 3.44Å; Y359-Q362 VanDerWaalsContact CD1-CG 3.44Å; Y359-Q362 HydrophobicContact CD2-CG 4.26Å; Y359-Q362 HydrophobicContact CE1-CB 4.4Å; Y359-Q362 HydrophobicContact CE1-CG 3.21Å; Y359-Q362 HydrophobicContact CE2-CG 4.1Å; Y359-Q362 HydrophobicContact CG-CG 3.95Å; Y359-Q362 WeakPolarHBondContact O-CG 3.37Å; Y359-Q362 PolarHBondContact O-N 3.41Å; Y359-Q362 VanDerWaalsContact O-N 3.15Å; Q362-Q383 VanDerWaalsContact CB-OE1 3.25Å; Q362-L385 HydrophobicContact CB-CD2 4.14Å
363G51Low52.5Low24 Ų2457.2 Ų57.225%0.24729%0.287CS..THydrogen-bonded Turntrans91.6-11179.700000116.3Q361Q361-G363 PolarHBondContact O-N 3.35Å
364L46.3Very low51.3Low115 Ų11559.1 Ų59.160%0.60231%0.308SS*.THydrogen-bonded Turntrans-82.7-30.5-177.4-65.2179.9000114.5Q361 P372Q361-L364 HydrophobicContact CB-CD1 3.93Å; Q361-L364 HydrophobicContact CG-CD1 3.97Å; Q361-L364 PolarHBondContact O-N 2.99Å; L364-P372 WeakPolarHBondContact O-CB 3.25Å
365V50.4Low50Low27 Ų2765.5 Ų65.516%0.16434%0.337CS..SBendtrans-128.8157.7177.3179.60000105.3W105 T112 L116 D367W105-V365 HydrophobicContact CG-CB 4.43Å; T112-V365 HydrophobicContact CG2-CG1 4.03Å; L116-V365 HydrophobicContact CD1-CG1 4.06Å; V365-D367 PolarHBondContact O-N 2.88Å
366P50.9Low48.4Very low0 Ų066.1 Ų66.10%034%0.34CS..  trans-6794.8168.8-0.918.7000104.8T112 L116 Y134 L368 V370 P372 W388T112-P366 WeakPolarHBondContact CG2-O 3.36Å; L116-P366 HydrophobicContact CD1-CB 4.35Å; L116-P366 VanDerWaalsContact CD1-CD 3.42Å; L116-P366 HydrophobicContact CD1-CG 3.57Å; L116-P366 HydrophobicContact CD2-CB 4.27Å; L116-P366 HydrophobicContact CD2-CG 3.75Å; L116-P366 HydrophobicContact CG-CG 4.3Å; Y134-P366 HydrophobicContact CD2-CG 3.84Å; Y134-P366 HydrophobicContact CE2-CG 3.31Å; Y134-P366 WeakPolarHBondContact OH-CD 3.43Å; P366-L368 PolarHBondContact O-N 3.36Å; P366-V370 CarbonylContact C-O 3.51Å; P366-V370 WeakPolarHBondContact CA-O 3.4Å; P366-V370 VanDerWaalsContact CB-O 3.23Å; P366-V370 WeakPolarHBondContact CB-O 3.22Å; P366-P372 VanDerWaalsContact CA-CD 3.48Å; P366-P372 VanDerWaalsContact CB-CD 3.48Å; P366-P372 HydrophobicContact CB-CG 4.21Å; P366-P372 HydrophobicContact CG-CG 3.51Å; P366-P372 VanDerWaalsContact N-CD 3.3Å; P366-P372 VanDerWaalsContact N-CG 3.25Å; P366-W388 HydrophobicContact CB-CH2 3.96Å; P366-W388 HydrophobicContact CB-CZ2 3.98Å
367D49.3Very low46.5Very low0 Ų064.5 Ų64.50%034%0.342CS..  trans-47.9138.1149-166.9-45.5000104S104 W105 Y359 V365 R369 V370S104-D367 VanDerWaalsContact CA-OD1 3.24Å; S104-D367 WeakPolarHBondContact CA-OD1 3.38Å; S104-D367 WeakPolarHBondContact CA-OD2 3.28Å; S104-D367 WeakPolarHBondContact CB-OD2 3.47Å; W105-D367 PolarHBondContact N-OD2 2.95Å; Y359-D367 VanDerWaalsContact CE1-OD2 3.25Å; Y359-D367 WeakPolarHBondContact CE1-OD2 3.49Å; Y359-D367 WeakPolarHBondContact OH-CB 3.37Å; Y359-D367 PolarHBondContact OH-OD2 3.17Å; V365-D367 PolarHBondContact O-N 2.88Å; D367-R369 HydrophobicContact CB-CB 4.28Å; D367-R369 CarbonylContact O-C 3.58Å; D367-R369 PolarHBondContact O-N 3.3Å; D367-R369 WeakPolarHBondContact OD1-CB 3.48Å; D367-R369 VanDerWaalsContact OD1-CG 3.31Å; D367-R369 WeakPolarHBondContact OD1-CG 3.44Å; D367-R369 PolarHBondContact OD1-N 2.9Å; D367-R369 IonicContact OD1-NE 3.88Å; D367-R369 PolarHBondContact OD1-NE 3.26Å; D367-R369 VanDerWaalsContact OD1-NE 3.12Å; D367-R369 IonicContact OD2-CZ 3.81Å; D367-R369 IonicContact OD2-NE 2.7Å; D367-R369 PolarHBondContact OD2-NE 3.48Å; D367-R369 VanDerWaalsContact OD2-NE 3.14Å; D367-R369 IonicContact OD2-NH2 3.75Å; D367-R369 PolarHBondContact OD2-NH2 3.47Å; D367-V370 HydrophobicContact CB-CB 3.43Å; D367-V370 VanDerWaalsContact CB-CB 3.43Å; D367-V370 HydrophobicContact CB-CG2 3.29Å; D367-V370 CarbonylContact O-C 3.58Å; D367-V370 WeakPolarHBondContact O-CA 3.27Å; D367-V370 PolarHBondContact O-N 3.47Å
368L52.3Low44.8Very low4 Ų469 Ų692%0.02137%0.372CS..THydrogen-bonded Turntrans-696.1176.9-61158.5000111T112 V143 P366 W388 R394T112-L368 HydrophobicContact CG2-CG 4.46Å; V143-L368 HydrophobicContact CG2-CD2 4.21Å; P366-L368 PolarHBondContact O-N 3.36Å; L368-W388 HydrophobicContact CD2-CZ3 4.42Å; L368-W388 PolarHBondContact O-N 2.95Å; L368-W388 VanDerWaalsContact O-N 3.12Å; L368-R394 VanDerWaalsContact CD1-CZ 3.43Å
369R41.6Very low43.4Very low8 Ų870.6 Ų70.63%0.0339%0.386CS..THydrogen-bonded Turntrans-98.33157.7-53.7178.4-61.2155.6-2.4118F103 L357 Y359 D367 L385 Q386 H387F103-R369 WeakPolarHBondContact O-CD 3.46Å; F103-R369 WeakPolarHBondContact O-CG 3.49Å; F103-R369 PolarHBondContact O-NE 3.31Å; L357-R369 PolarHBondContact O-NH1 3.06Å; L357-R369 PolarHBondContact O-NH2 3.33Å; L357-R369 VanDerWaalsContact O-NH2 3.16Å; Y359-R369 VanDerWaalsContact CE1-NH2 3.32Å; D367-R369 HydrophobicContact CB-CB 4.28Å; D367-R369 CarbonylContact O-C 3.58Å; D367-R369 PolarHBondContact O-N 3.3Å; D367-R369 WeakPolarHBondContact OD1-CB 3.48Å; D367-R369 VanDerWaalsContact OD1-CG 3.31Å; D367-R369 WeakPolarHBondContact OD1-CG 3.44Å; D367-R369 PolarHBondContact OD1-N 2.9Å; D367-R369 IonicContact OD1-NE 3.88Å; D367-R369 PolarHBondContact OD1-NE 3.26Å; D367-R369 VanDerWaalsContact OD1-NE 3.12Å; D367-R369 IonicContact OD2-CZ 3.81Å; D367-R369 IonicContact OD2-NE 2.7Å; D367-R369 PolarHBondContact OD2-NE 3.48Å; D367-R369 VanDerWaalsContact OD2-NE 3.14Å; D367-R369 IonicContact OD2-NH2 3.75Å; D367-R369 PolarHBondContact OD2-NH2 3.47Å; R369-L385 CarbonylContact O-C 3.05Å; R369-Q386 CarbonylContact C-O 3.56Å; R369-Q386 WeakPolarHBondContact CA-O 3.45Å; R369-Q386 CarbonylContact O-C 3.58Å; R369-Q386 VanDerWaalsContact O-CA 3.27Å; R369-Q386 WeakPolarHBondContact O-CA 3.41Å; R369-Q386 PolarHBondContact O-N 3.41Å; R369-H387 PolarHBondContact O-N 3.48Å
370V33.8Very low41.9Very low0 Ų075.7 Ų75.70%042%0.415CS..  trans-154.1146-166.9-174.10000110.7P366 D367 L385 Q386P366-V370 CarbonylContact C-O 3.51Å; P366-V370 WeakPolarHBondContact CA-O 3.4Å; P366-V370 VanDerWaalsContact CB-O 3.23Å; P366-V370 WeakPolarHBondContact CB-O 3.22Å; D367-V370 HydrophobicContact CB-CB 3.43Å; D367-V370 VanDerWaalsContact CB-CB 3.43Å; D367-V370 HydrophobicContact CB-CG2 3.29Å; D367-V370 CarbonylContact O-C 3.58Å; D367-V370 WeakPolarHBondContact O-CA 3.27Å; D367-V370 PolarHBondContact O-N 3.47Å; V370-L385 HydrophobicContact CB-CB 4.49Å; V370-L385 HydrophobicContact CB-CD2 3.97Å; V370-L385 HydrophobicContact CG1-CB 4.46Å; V370-L385 HydrophobicContact CG1-CD2 3.36Å; V370-L385 HydrophobicContact CG1-CG 4.42Å; V370-L385 HydrophobicContact CG2-CB 3.63Å; V370-L385 HydrophobicContact CG2-CD1 4.4Å; V370-L385 HydrophobicContact CG2-CD2 3.27Å; V370-L385 HydrophobicContact CG2-CG 3.85Å; V370-Q386 PolarHBondContact N-O 3.06Å
371T34.1Very low40.4Very low26 Ų2675.8 Ų75.816%0.1642%0.416CS..  trans-98143.1162.935.70000109.6Q386 W388T371-Q386 VanDerWaalsContact CG2-CD 3.47Å; T371-Q386 HydrophobicContact CG2-CG 4.38Å; T371-Q386 PolarHBondContact OG1-NE2 2.87Å; T371-W388 HydrophobicContact CG2-CZ2 3.62Å
372P31.6Very low39.3Very low18 Ų1877.8 Ų77.812%0.11743%0.425CS..SBendtrans-96.594.116039.2-26.3000105.6Y134 L364 P366Y134-P372 HydrophobicContact CE2-CG 3.62Å; Y134-P372 WeakPolarHBondContact OH-CG 3.38Å; L364-P372 WeakPolarHBondContact O-CB 3.25Å; P366-P372 VanDerWaalsContact CA-CD 3.48Å; P366-P372 VanDerWaalsContact CB-CD 3.48Å; P366-P372 HydrophobicContact CB-CG 4.21Å; P366-P372 HydrophobicContact CG-CG 3.51Å; P366-P372 VanDerWaalsContact N-CD 3.3Å; P366-P372 VanDerWaalsContact N-CG 3.25Å
373N37Very low38.3Very low133 Ų13382 Ų8271%0.71145%0.445SS*.  trans-156.945.1147.9-97.6-19.6000107.7M375N373-M375 VanDerWaalsContact C-N 3.26Å; N373-M375 PolarHBondContact O-N 3.25Å
374A34.2Very low37.4Very low78 Ų7883.2 Ų83.265%0.64545%0.447SS*.  trans-8685.7148.200000105.5Q376A374-Q376 PolarHBondContact O-N 3.49Å
375M31Very low36.8Very low168 Ų16878.1 Ų78.183%0.82842%0.421SS*.  trans-42.2119.9157.7-166.6177.1-65.100106.5N373 L377N373-M375 VanDerWaalsContact C-N 3.26Å; N373-M375 PolarHBondContact O-N 3.25Å; M375-L377 PolarHBondContact O-N 3.35Å
376Q29Very low36.7Very low184 Ų18478.4 Ų78.486%0.8642%0.42SS*.  trans-38.997.7-176.5-76172.6-22.100110.9A374A374-Q376 PolarHBondContact O-N 3.49Å
377L30.3Very low36.9Very low133 Ų13379.5 Ų79.570%0.69643%0.425SS*.  trans-97.2113.9164.4-76.2172000105.6M375 N379M375-L377 PolarHBondContact O-N 3.35Å; L377-N379 PolarHBondContact O-N 2.66Å
378P28.9Very low37.6Very low105 Ų10580.3 Ų80.368%0.68243%0.429SS*.THydrogen-bonded Turntrans-68.8126.2173.927.7-29.2000107.9
379N34.3Very low38.6Very low152 Ų15280.6 Ų80.681%0.81343%0.43SS*.THydrogen-bonded Turntrans109.115.4163-48.8-31.9000119.8L377L377-N379 PolarHBondContact O-N 2.66Å
380D33.5Very low40.5Very low140 Ų14084.9 Ų84.975%0.74945%0.452SS*.  trans-110.5110.7168.2-82.6-31.4000112E382D380-E382 PolarHBondContact O-N 3.41Å; D380-E382 VanDerWaalsContact O-N 3.07Å
381D32.5Very low42.9Very low173 Ų17387.6 Ų87.693%0.92547%0.47SS*.  trans-71.315.8178-77.2-32.3000114.1
382E37.2Very low45Very low132 Ų13289.3 Ų89.362%0.61748%0.478SS*.  trans-118.493.1174.2-82.4-174.1162.600110.5R344 D380 T384R344-E382 IonicContact CZ-OE2 3.91Å; R344-E382 IonicContact NH1-OE2 2.64Å; R344-E382 PolarHBondContact NH1-OE2 2.75Å; D380-E382 PolarHBondContact O-N 3.41Å; D380-E382 VanDerWaalsContact O-N 3.07Å; E382-T384 PolarHBondContact O-N 3.16Å
383Q34.4Very low47.5Very low103 Ų10390.2 Ų90.248%0.48149%0.49SS..  trans-62.1118.4170.8-69.9178.2-7.700110.3Q362 L385Q362-Q383 VanDerWaalsContact CB-OE1 3.25Å; Q383-L385 HydrophobicContact CB-CD1 4.3Å; Q383-L385 HydrophobicContact CB-CD2 3.91Å; Q383-L385 HydrophobicContact CB-CG 4.01Å; Q383-L385 WeakPolarHBondContact O-CG 3.17Å; Q383-L385 PolarHBondContact O-N 3.04Å
384T33.2Very low49.8Very low48 Ų4884.4 Ų84.429%0.29446%0.459SS..  trans-78.4102.2176.3-40.50000110.1E347 E382E347-T384 HydrophobicContact CB-CG2 3.84Å; E347-T384 WeakPolarHBondContact OE2-CG2 3.49Å; E382-T384 PolarHBondContact O-N 3.16Å
385L34.3Very low52.6Low8 Ų886.2 Ų86.24%0.04245%0.448CS..  trans-116.5111.4-172.4-56.8-179.4000109.9F351 Q362 R369 V370 Q383F351-L385 HydrophobicContact CD2-CB 4.23Å; F351-L385 WeakPolarHBondContact CD2-O 3.43Å; F351-L385 HydrophobicContact CE2-CB 3.96Å; Q362-L385 HydrophobicContact CB-CD2 4.14Å; R369-L385 CarbonylContact O-C 3.05Å; V370-L385 HydrophobicContact CB-CB 4.49Å; V370-L385 HydrophobicContact CB-CD2 3.97Å; V370-L385 HydrophobicContact CG1-CB 4.46Å; V370-L385 HydrophobicContact CG1-CD2 3.36Å; V370-L385 HydrophobicContact CG1-CG 4.42Å; V370-L385 HydrophobicContact CG2-CB 3.63Å; V370-L385 HydrophobicContact CG2-CD1 4.4Å; V370-L385 HydrophobicContact CG2-CD2 3.27Å; V370-L385 HydrophobicContact CG2-CG 3.85Å; Q383-L385 HydrophobicContact CB-CD1 4.3Å; Q383-L385 HydrophobicContact CB-CD2 3.91Å; Q383-L385 HydrophobicContact CB-CG 4.01Å; Q383-L385 WeakPolarHBondContact O-CG 3.17Å; Q383-L385 PolarHBondContact O-N 3.04Å
386Q46.9Very low55.7Low33 Ų3378.8 Ų78.815%0.15441%0.412CS..  trans-98.2114.6-176.6-52.4-173-1.500116.9E347 R369 V370 T371 W388E347-Q386 HydrophobicContact CB-CG 4.27Å; E347-Q386 WeakPolarHBondContact O-CG 2.85Å; R369-Q386 CarbonylContact C-O 3.56Å; R369-Q386 WeakPolarHBondContact CA-O 3.45Å; R369-Q386 CarbonylContact O-C 3.58Å; R369-Q386 VanDerWaalsContact O-CA 3.27Å; R369-Q386 WeakPolarHBondContact O-CA 3.41Å; R369-Q386 PolarHBondContact O-N 3.41Å; V370-Q386 PolarHBondContact N-O 3.06Å; T371-Q386 VanDerWaalsContact CG2-CD 3.47Å; T371-Q386 HydrophobicContact CG2-CG 4.38Å; T371-Q386 PolarHBondContact OG1-NE2 2.87Å; Q386-W388 PolarHBondContact O-N 3.23Å
387H55.8Low58.8Low24 Ų2471 Ų7111%0.11137%0.374CS..  trans-75.5121.9171.2-63.7-143.3000112.2F350 V352 R369F350-H387 HydrophobicContact CB-CB 3.55Å; F350-H387 VanDerWaalsContact CB-O 3.27Å; F350-H387 WeakPolarHBondContact CB-O 3.21Å; F350-H387 WeakPolarHBondContact CD2-O 3.28Å; F350-H387 WeakPolarHBondContact CG-O 3.29Å; V352-H387 PolarHBondContact O-CE1 3.46Å; V352-H387 VanDerWaalsContact O-CE1 3.26Å; V352-H387 PolarHBondContact O-NE2 3.49Å; V352-H387 VanDerWaalsContact O-NE2 3.1Å; R369-H387 PolarHBondContact O-N 3.48Å
388W64.1Low62Low17 Ų1764.6 Ų64.66%0.06434%0.341CS..  trans-94.913.3-177.3-66.215.8000113.8A141 V143 Q145 L154 Y321 P366 L368 T371 Q386A141-W388 HydrophobicContact CB-CH2 3.57Å; A141-W388 HydrophobicContact CB-CZ3 3.9Å; V143-W388 HydrophobicContact CB-CE3 3.57Å; V143-W388 HydrophobicContact CB-CZ3 4.05Å; V143-W388 HydrophobicContact CG1-CB 4.34Å; V143-W388 HydrophobicContact CG1-CE3 3.73Å; V143-W388 HydrophobicContact CG2-CB 4.39Å; V143-W388 HydrophobicContact CG2-CE3 4.27Å; Q145-W388 PolarHBondContact NE2-O 3.26Å; L154-W388 WeakPolarHBondContact CD1-O 3.39Å; Y321-W388 HydrophobicContact CD1-CD2 4.43Å; Y321-W388 HydrophobicContact CD1-CE3 4.07Å; Y321-W388 HydrophobicContact CD1-CZ3 4.29Å; Y321-W388 AromaticContact CE1-CD2 3.74Å; Y321-W388 HydrophobicContact CE1-CD2 3.74Å; Y321-W388 AromaticContact CE1-CE2 3.8Å; Y321-W388 AromaticContact CE1-CE3 3.33Å; Y321-W388 HydrophobicContact CE1-CE3 3.33Å; Y321-W388 AromaticContact CE1-CH2 3.44Å; Y321-W388 HydrophobicContact CE1-CH2 3.44Å; Y321-W388 VanDerWaalsContact CE1-CH2 3.44Å; Y321-W388 AromaticContact CE1-CZ2 3.69Å; Y321-W388 HydrophobicContact CE1-CZ2 3.69Å; Y321-W388 AromaticContact CE1-CZ3 3.22Å; Y321-W388 HydrophobicContact CE1-CZ3 3.22Å; Y321-W388 AromaticContact CZ-CE2 3.82Å; Y321-W388 AromaticContact CZ-CH2 3.48Å; Y321-W388 VanDerWaalsContact CZ-CH2 3.48Å; Y321-W388 AromaticContact CZ-CZ2 3.45Å; Y321-W388 VanDerWaalsContact CZ-CZ2 3.45Å; Y321-W388 AromaticContact CZ-CZ3 3.82Å; Y321-W388 WeakPolarHBondContact OH-CH2 3.43Å; Y321-W388 WeakPolarHBondContact OH-CZ2 3.34Å; P366-W388 HydrophobicContact CB-CH2 3.96Å; P366-W388 HydrophobicContact CB-CZ2 3.98Å; L368-W388 HydrophobicContact CD2-CZ3 4.42Å; L368-W388 PolarHBondContact O-N 2.95Å; L368-W388 VanDerWaalsContact O-N 3.12Å; T371-W388 HydrophobicContact CG2-CZ2 3.62Å; Q386-W388 PolarHBondContact O-N 3.23Å
389Q73.2Confident65.3Low9 Ų960 Ų604%0.04231%0.311CS..SBendtrans-155.7166.5-17857.8166.745.700111.2P391 R394Q389-P391 WeakPolarHBondContact CG-O 3.19Å; Q389-P391 PolarHBondContact NE2-O 3.41Å; Q389-R394 VanDerWaalsContact OE1-NE 3.14Å
390I80.4Confident68.3Low98 Ų9852.8 Ų52.850%0.50327%0.272SS..SBendtrans-75.4-53.6179.6-53.4175.9000112E150 Y153 L154E150-I390 HydrophobicContact CG-CD1 4.1Å; E150-I390 HydrophobicContact CG-CG1 4.23Å; E150-I390 PolarHBondContact OE1-N 3.24Å; Y153-I390 HydrophobicContact CD1-CD1 3.42Å; Y153-I390 VanDerWaalsContact CD1-CD1 3.42Å; Y153-I390 HydrophobicContact CD1-CG1 3.98Å; Y153-I390 HydrophobicContact CE1-CD1 3.64Å; Y153-I390 HydrophobicContact CE1-CG1 4Å; Y153-I390 HydrophobicContact CG-CD1 4.36Å; L154-I390 HydrophobicContact CD2-CG1 3.85Å; L154-I390 HydrophobicContact CG-CG1 4.43Å
391P84.1Confident71.4Confident57 Ų5746.1 Ų46.137%0.3724%0.236SC..SBendtrans-71154.6-179.327.1-32000111.4E150 Q389E150-P391 WeakPolarHBondContact OE1-CD 3.43Å; Q389-P391 WeakPolarHBondContact CG-O 3.19Å; Q389-P391 PolarHBondContact NE2-O 3.41Å
392L78.5Confident74.5Confident63 Ų6341.5 Ų41.533%0.3321%0.206SC..SBendtrans-75.4-50.6169.917863.6000111F103 Y356 L357F103-L392 WeakPolarHBondContact CA-O 3.49Å; F103-L392 HydrophobicContact CB-CD1 3.99Å; F103-L392 HydrophobicContact CB-CG 4Å; F103-L392 WeakPolarHBondContact CB-O 3.47Å; Y356-L392 WeakPolarHBondContact OH-CD2 3.17Å; L357-L392 HydrophobicContact CD1-CD1 3.8Å; L357-L392 HydrophobicContact CD1-CD2 4.02Å
393G84.3Confident77.4Confident37 Ų3737.8 Ų37.838%0.38119%0.188SC..  trans-75.9145.2-178.500000113.2
394R86.2Confident80.5Confident11 Ų1132.9 Ų32.94%0.04217%0.165CC..  trans-131.7141179.4-63-179.562.4132.42.2112.2G102 E115 I144 L368 Q389G102-R394 PolarHBondContact N-O 2.64Å; G102-R394 WeakPolarHBondContact O-CB 3.42Å; G102-R394 VanDerWaalsContact O-CD 3.31Å; G102-R394 WeakPolarHBondContact O-CD 3.37Å; E115-R394 IonicContact OE1-CZ 3.12Å; E115-R394 IonicContact OE1-NH2 2.76Å; E115-R394 PolarHBondContact OE1-NH2 2.76Å; E115-R394 IonicContact OE2-CZ 2.77Å; E115-R394 IonicContact OE2-NH2 3.49Å; E115-R394 PolarHBondContact OE2-NH2 3.4Å; I144-R394 PolarHBondContact O-NH2 3.35Å; L368-R394 VanDerWaalsContact CD1-CZ 3.43Å; Q389-R394 VanDerWaalsContact OE1-NE 3.14Å
395R92.5Very high83.5Confident115 Ų11531.3 Ų31.343%0.43416%0.155SC..  trans-79.7159.4166.1-61.8-175.169.7170.43110.3S96 R397S96-R395 PolarHBondContact OG-NH2 3.13Å; R395-R397 HydrophobicContact CB-CG 4.17Å; R395-R397 PolarHBondContact O-N 3Å
396F95.5Very high86.6Confident13 Ų1338.6 Ų38.66%0.05718%0.181CC..  trans-77.263.1174.3-158.7173000111.6S95 I98 A110 Y111 L114 S398 L399S95-F396 WeakPolarHBondContact OG-CB 3.26Å; S95-F396 PolarHBondContact OG-N 3.31Å; S95-F396 PolarHBondContact OG-O 3.44Å; I98-F396 HydrophobicContact CD1-CD1 4.08Å; I98-F396 HydrophobicContact CD1-CE1 4.28Å; A110-F396 HydrophobicContact CB-CE1 4.4Å; A110-F396 HydrophobicContact CB-CZ 4.14Å; A110-F396 VanDerWaalsContact O-CE2 3.32Å; A110-F396 WeakPolarHBondContact O-CE2 3.49Å; A110-F396 VanDerWaalsContact O-CZ 3.25Å; A110-F396 WeakPolarHBondContact O-CZ 3.25Å; Y111-F396 HydrophobicContact CD1-CB 3.91Å; Y111-F396 HydrophobicContact CD1-CG 4.18Å; Y111-F396 HydrophobicContact CD2-CB 3.99Å; Y111-F396 AromaticContact CD2-CD1 3.31Å; Y111-F396 HydrophobicContact CD2-CD1 3.31Å; Y111-F396 AromaticContact CD2-CD2 3.89Å; Y111-F396 HydrophobicContact CD2-CD2 3.89Å; Y111-F396 AromaticContact CD2-CE1 3.63Å; Y111-F396 HydrophobicContact CD2-CE1 3.63Å; Y111-F396 HydrophobicContact CD2-CE2 4.15Å; Y111-F396 AromaticContact CD2-CG 3.46Å; Y111-F396 HydrophobicContact CD2-CG 3.46Å; Y111-F396 VanDerWaalsContact CD2-CG 3.46Å; Y111-F396 HydrophobicContact CD2-CZ 4.04Å; Y111-F396 HydrophobicContact CE1-CB 3.7Å; Y111-F396 HydrophobicContact CE1-CG 4.27Å; Y111-F396 HydrophobicContact CE2-CB 3.78Å; Y111-F396 AromaticContact CE2-CD1 3.16Å; Y111-F396 HydrophobicContact CE2-CD1 3.16Å; Y111-F396 HydrophobicContact CE2-CD2 4.44Å; Y111-F396 AromaticContact CE2-CE1 3.78Å; Y111-F396 HydrophobicContact CE2-CE1 3.78Å; Y111-F396 AromaticContact CE2-CG 3.57Å; Y111-F396 HydrophobicContact CE2-CG 3.57Å; Y111-F396 HydrophobicContact CG-CB 4.07Å; Y111-F396 HydrophobicContact CG-CD1 4.14Å; Y111-F396 AromaticContact CG-CD2 3.97Å; Y111-F396 HydrophobicContact CG-CD2 3.97Å; Y111-F396 HydrophobicContact CG-CE2 4.43Å; Y111-F396 AromaticContact CG-CG 3.8Å; Y111-F396 HydrophobicContact CG-CG 3.8Å; Y111-F396 AromaticContact CZ-CD1 3.89Å; Y111-F396 AromaticContact CZ-CG 3.98Å; L114-F396 HydrophobicContact CB-CE2 3.94Å; L114-F396 HydrophobicContact CB-CZ 4.23Å; L114-F396 HydrophobicContact CD2-CE2 3.58Å; L114-F396 HydrophobicContact CD2-CZ 3.65Å; L114-F396 HydrophobicContact CG-CE2 4.28Å; F396-S398 VanDerWaalsContact C-N 3.27Å; F396-S398 VanDerWaalsContact CD2-OG 3.32Å; F396-S398 WeakPolarHBondContact CD2-OG 3.47Å; F396-S398 WeakPolarHBondContact CE2-OG 3.32Å; F396-S398 PolarHBondContact O-N 3.11Å; F396-L399 HydrophobicContact CB-CD1 4.04Å; F396-L399 HydrophobicContact CB-CG 4.37Å; F396-L399 HydrophobicContact CD1-CD1 3.29Å; F396-L399 HydrophobicContact CD1-CD2 4.25Å; F396-L399 HydrophobicContact CD1-CG 3.61Å; F396-L399 HydrophobicContact CD2-CD1 4.31Å; F396-L399 HydrophobicContact CD2-CG 3.81Å; F396-L399 HydrophobicContact CE1-CD1 3.75Å; F396-L399 HydrophobicContact CE1-CD2 3.87Å; F396-L399 HydrophobicContact CE1-CG 3.74Å; F396-L399 HydrophobicContact CE2-CD2 4.29Å; F396-L399 HydrophobicContact CE2-CG 3.93Å; F396-L399 HydrophobicContact CG-CD1 3.62Å; F396-L399 HydrophobicContact CG-CG 3.65Å; F396-L399 HydrophobicContact CZ-CD1 4.42Å; F396-L399 HydrophobicContact CZ-CD2 3.89Å; F396-L399 HydrophobicContact CZ-CG 3.9Å; F396-L399 PolarHBondContact O-N 3.33Å
397R95.7Very high89Confident19 Ų1940 Ų407%0.07220%0.199CC..THydrogen-bonded Turntrans-67.4-25-171.8-65.5-175.6177.3116.4-4.6113.5I144 S146 D315 R395 L399 K400I144-R397 HydrophobicContact CB-CB 4.26Å; I144-R397 HydrophobicContact CD1-CB 4.18Å; I144-R397 HydrophobicContact CG2-CB 3.8Å; I144-R397 HydrophobicContact CG2-CG 4.41Å; I144-R397 PolarHBondContact O-NH1 2.91Å; S146-R397 PolarHBondContact OG-NH2 2.93Å; D315-R397 IonicContact OD1-NE 2.83Å; D315-R397 IonicContact OD2-CZ 3.41Å; D315-R397 IonicContact OD2-NE 3.7Å; D315-R397 PolarHBondContact OD2-NE 2.9Å; D315-R397 VanDerWaalsContact OD2-NE 3.12Å; D315-R397 IonicContact OD2-NH2 3.9Å; D315-R397 PolarHBondContact OD2-NH2 3.25Å; R395-R397 HydrophobicContact CB-CG 4.17Å; R395-R397 PolarHBondContact O-N 3Å; R397-L399 PolarHBondContact O-N 2.93Å; R397-K400 WeakPolarHBondContact O-CG 3.36Å
398S97.1Very high91Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-66.5-20.217953.60000113.3E115 F396 L401 W402E115-S398 VanDerWaalsContact CA-CB 3.47Å; E115-S398 PolarHBondContact N-OG 3.49Å; F396-S398 VanDerWaalsContact C-N 3.27Å; F396-S398 VanDerWaalsContact CD2-OG 3.32Å; F396-S398 WeakPolarHBondContact CD2-OG 3.47Å; F396-S398 WeakPolarHBondContact CE2-OG 3.32Å; F396-S398 PolarHBondContact O-N 3.11Å; S398-L401 PolarHBondContact O-N 2.9Å; S398-W402 VanDerWaalsContact O-CB 3.28Å; S398-W402 WeakPolarHBondContact O-CB 3.49Å; S398-W402 PolarHBondContact O-N 2.88Å
399L97.6Very high92.6Very high8 Ų842.4 Ų42.44%0.04222%0.218CC..Hα-helixtrans-59.8-50.1175.8-75.9176.4000112.7L94 L114 F396 R397 L401 W402 F403L94-L399 HydrophobicContact CB-CD1 4.14Å; L94-L399 HydrophobicContact CD2-CD1 3.94Å; L94-L399 HydrophobicContact CD2-CD2 4.06Å; L94-L399 HydrophobicContact CG-CD1 3.85Å; L114-L399 HydrophobicContact CD2-CD2 3.81Å; L114-L399 HydrophobicContact CD2-CG 4.44Å; F396-L399 HydrophobicContact CB-CD1 4.04Å; F396-L399 HydrophobicContact CB-CG 4.37Å; F396-L399 HydrophobicContact CD1-CD1 3.29Å; F396-L399 HydrophobicContact CD1-CD2 4.25Å; F396-L399 HydrophobicContact CD1-CG 3.61Å; F396-L399 HydrophobicContact CD2-CD1 4.31Å; F396-L399 HydrophobicContact CD2-CG 3.81Å; F396-L399 HydrophobicContact CE1-CD1 3.75Å; F396-L399 HydrophobicContact CE1-CD2 3.87Å; F396-L399 HydrophobicContact CE1-CG 3.74Å; F396-L399 HydrophobicContact CE2-CD2 4.29Å; F396-L399 HydrophobicContact CE2-CG 3.93Å; F396-L399 HydrophobicContact CG-CD1 3.62Å; F396-L399 HydrophobicContact CG-CG 3.65Å; F396-L399 HydrophobicContact CZ-CD1 4.42Å; F396-L399 HydrophobicContact CZ-CD2 3.89Å; F396-L399 HydrophobicContact CZ-CG 3.9Å; F396-L399 PolarHBondContact O-N 3.33Å; R397-L399 PolarHBondContact O-N 2.93Å; L399-L401 VanDerWaalsContact C-N 3.29Å; L399-L401 PolarHBondContact O-N 2.85Å; L399-W402 PolarHBondContact O-N 3.07Å; L399-W402 VanDerWaalsContact O-N 3.15Å; L399-F403 HydrophobicContact CB-CD2 4.48Å; L399-F403 HydrophobicContact CD2-CD2 4.42Å; L399-F403 HydrophobicContact CD2-CE2 3.95Å; L399-F403 WeakPolarHBondContact O-CB 3.29Å; L399-F403 WeakPolarHBondContact O-CD2 3.41Å; L399-F403 PolarHBondContact O-N 3.14Å
400K97.8Very high93.7Very high1 Ų143 Ų430%0.00422%0.224CC..Hα-helixtrans-64-34.7-178.754176.7158.8-160.90113A88 D92 I312 N313 D315 R397 T404A88-K400 HydrophobicContact CB-CB 4.16Å; A88-K400 WeakPolarHBondContact O-CB 3.45Å; D92-K400 WeakPolarHBondContact OD1-CD 3.29Å; D92-K400 IonicContact OD1-NZ 2.66Å; D92-K400 IonicContact OD2-NZ 3.63Å; I312-K400 HydrophobicContact CG2-CB 4.49Å; I312-K400 HydrophobicContact CG2-CD 3.87Å; I312-K400 HydrophobicContact CG2-CG 4.04Å; N313-K400 PolarHBondContact O-NZ 3.33Å; N313-K400 WeakPolarHBondContact OD1-CD 3.4Å; D315-K400 WeakPolarHBondContact O-CE 3.49Å; D315-K400 PolarHBondContact O-NZ 3.33Å; D315-K400 IonicContact OD1-NZ 3.6Å; R397-K400 WeakPolarHBondContact O-CG 3.36Å; K400-T404 VanDerWaalsContact O-CB 3.26Å; K400-T404 WeakPolarHBondContact O-CB 3.47Å; K400-T404 PolarHBondContact O-N 2.91Å; K400-T404 VanDerWaalsContact O-N 3.11Å; K400-T404 PolarHBondContact O-OG1 3.24Å
401L97.7Very high94.5Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-64.2-51.7170.6-91.8161000110.7V118 L122 I144 P306 I312 C316 S398 L399 F403 T404 I405V118-L401 HydrophobicContact CG1-CB 3.55Å; V118-L401 HydrophobicContact CG1-CD1 4.13Å; V118-L401 HydrophobicContact CG1-CG 4.32Å; L122-L401 HydrophobicContact CD2-CD2 4.17Å; I144-L401 HydrophobicContact CD1-CD1 3.55Å; I144-L401 HydrophobicContact CG1-CD1 4.06Å; P306-L401 HydrophobicContact CB-CD2 4.15Å; P306-L401 HydrophobicContact CG-CD2 4.24Å; I312-L401 HydrophobicContact CD1-CD2 3.3Å; I312-L401 HydrophobicContact CD1-CG 3.98Å; I312-L401 HydrophobicContact CG1-CD2 4.35Å; C316-L401 VanDerWaalsContact SG-CD1 3.5Å; S398-L401 PolarHBondContact O-N 2.9Å; L399-L401 VanDerWaalsContact C-N 3.29Å; L399-L401 PolarHBondContact O-N 2.85Å; L401-F403 PolarHBondContact O-N 2.95Å; L401-T404 PolarHBondContact O-N 2.74Å; L401-I405 HydrophobicContact CD2-CD1 4.22Å; L401-I405 WeakPolarHBondContact O-CB 3.37Å; L401-I405 VanDerWaalsContact O-CG1 3.29Å; L401-I405 WeakPolarHBondContact O-CG1 3.37Å; L401-I405 PolarHBondContact O-N 3.4Å
402W98.4Very high95.2Very high76 Ų7645.4 Ų45.429%0.28823%0.231SC..Hα-helixtrans-59.7-47.5-178.9-172.475.2000112.5L114 V118 W121 S398 L399 R406L114-W402 HydrophobicContact CD1-CB 4.41Å; L114-W402 HydrophobicContact CD1-CD2 4.3Å; L114-W402 HydrophobicContact CD1-CG 3.88Å; L114-W402 HydrophobicContact CD2-CB 4.25Å; L114-W402 HydrophobicContact CD2-CG 4.27Å; L114-W402 HydrophobicContact CG-CG 4.49Å; V118-W402 HydrophobicContact CG2-CB 3.89Å; V118-W402 HydrophobicContact CG2-CG 4.21Å; W121-W402 AromaticContact CH2-NE1 3.92Å; W121-W402 AromaticContact CZ3-CD1 3.78Å; S398-W402 VanDerWaalsContact O-CB 3.28Å; S398-W402 WeakPolarHBondContact O-CB 3.49Å; S398-W402 PolarHBondContact O-N 2.88Å; L399-W402 PolarHBondContact O-N 3.07Å; L399-W402 VanDerWaalsContact O-N 3.15Å; W402-R406 VanDerWaalsContact O-CB 3.29Å; W402-R406 WeakPolarHBondContact O-CB 3.33Å; W402-R406 VanDerWaalsContact O-CG 3.26Å; W402-R406 WeakPolarHBondContact O-CG 3.39Å; W402-R406 PolarHBondContact O-N 2.96Å
403F98.4Very high96.1Very high53 Ų5342.4 Ų42.423%0.23222%0.215CC..Hα-helixtrans-59.5-48.4176.3-87-120.8000110.9P87 M90 L94 L399 L401 R406 A407P87-F403 HydrophobicContact CB-CB 4.23Å; P87-F403 VanDerWaalsContact O-CB 3.26Å; P87-F403 WeakPolarHBondContact O-CB 3.46Å; M90-F403 HydrophobicContact CB-CD1 4.01Å; M90-F403 HydrophobicContact CB-CE1 4.13Å; L94-F403 HydrophobicContact CD2-CE2 4.03Å; L94-F403 HydrophobicContact CD2-CZ 3.8Å; L399-F403 HydrophobicContact CB-CD2 4.48Å; L399-F403 HydrophobicContact CD2-CD2 4.42Å; L399-F403 HydrophobicContact CD2-CE2 3.95Å; L399-F403 WeakPolarHBondContact O-CB 3.29Å; L399-F403 WeakPolarHBondContact O-CD2 3.41Å; L399-F403 PolarHBondContact O-N 3.14Å; L401-F403 PolarHBondContact O-N 2.95Å; F403-R406 PolarHBondContact O-N 2.96Å; F403-A407 WeakPolarHBondContact O-CB 3.26Å; F403-A407 PolarHBondContact O-N 2.85Å
404T98Very high96.7Very high0 Ų042.9 Ų42.90%021%0.205CC..Hα-helixtrans-63.6-49.3-178.7-56.20000111.6A88 M311 I312 K400 L401 R406 A407 F408A88-T404 WeakPolarHBondContact CB-OG1 3.11Å; M311-T404 HydrophobicContact CB-CG2 4.41Å; I312-T404 HydrophobicContact CG1-CG2 3.97Å; K400-T404 VanDerWaalsContact O-CB 3.26Å; K400-T404 WeakPolarHBondContact O-CB 3.47Å; K400-T404 PolarHBondContact O-N 2.91Å; K400-T404 VanDerWaalsContact O-N 3.11Å; K400-T404 PolarHBondContact O-OG1 3.24Å; L401-T404 PolarHBondContact O-N 2.74Å; T404-R406 VanDerWaalsContact C-N 3.33Å; T404-R406 PolarHBondContact O-N 3.02Å; T404-A407 PolarHBondContact O-N 3.35Å; T404-F408 HydrophobicContact CG2-CD2 3.64Å; T404-F408 HydrophobicContact CG2-CE2 4Å; T404-F408 WeakPolarHBondContact O-CB 3.45Å; T404-F408 PolarHBondContact O-N 2.8Å
405I98Very high97.3Very high15 Ų1547.4 Ų47.48%0.07723%0.227CC..Hα-helixtrans-62.6-41.7-179.9-67.2167.4000110.5V118 W121 L125 L401 G409 I413V118-I405 HydrophobicContact CG1-CD1 4.47Å; W121-I405 HydrophobicContact CE3-CG2 4.07Å; W121-I405 HydrophobicContact CZ3-CG2 4.37Å; L125-I405 HydrophobicContact CD1-CD1 4.33Å; L125-I405 HydrophobicContact CD1-CG2 4.32Å; L401-I405 HydrophobicContact CD2-CD1 4.22Å; L401-I405 WeakPolarHBondContact O-CB 3.37Å; L401-I405 VanDerWaalsContact O-CG1 3.29Å; L401-I405 WeakPolarHBondContact O-CG1 3.37Å; L401-I405 PolarHBondContact O-N 3.4Å; I405-G409 WeakPolarHBondContact O-CA 3.12Å; I405-G409 PolarHBondContact O-N 2.9Å; I405-I413 HydrophobicContact CG1-CD1 4.46Å
406R98.3Very high97.5Very high161 Ų16143.3 Ų43.361%0.60821%0.213SC*.Hα-helixtrans-72.2-37.8179.5-72.1-171.470.1114.25.3113.7W121 W402 F403 T404W121-R406 HydrophobicContact CZ3-CG 4.18Å; W402-R406 VanDerWaalsContact O-CB 3.29Å; W402-R406 WeakPolarHBondContact O-CB 3.33Å; W402-R406 VanDerWaalsContact O-CG 3.26Å; W402-R406 WeakPolarHBondContact O-CG 3.39Å; W402-R406 PolarHBondContact O-N 2.96Å; F403-R406 PolarHBondContact O-N 2.96Å; T404-R406 VanDerWaalsContact C-N 3.33Å; T404-R406 PolarHBondContact O-N 3.02Å
407A98.1Very high97.5Very high63 Ų6342.7 Ų42.752%0.52121%0.211SC..Hα-helixtrans-73.7-37.4-177.600000112.5P87 F403 T404P87-A407 HydrophobicContact CB-CB 3.76Å; P87-A407 HydrophobicContact CG-CB 3.52Å; F403-A407 WeakPolarHBondContact O-CB 3.26Å; F403-A407 PolarHBondContact O-N 2.85Å; T404-A407 PolarHBondContact O-N 3.35Å
408F97.4Very high97.6Very high63 Ų6346.6 Ų46.628%0.27623%0.226SC..Hα-helixtrans-102.8-27.7-175.6-66.7-45.1000114P87 M311 T404 K412 I413P87-F408 HydrophobicContact CG-CE1 4.32Å; P87-F408 HydrophobicContact CG-CE2 3.8Å; P87-F408 HydrophobicContact CG-CZ 3.69Å; M311-F408 HydrophobicContact CE-CD2 4.1Å; M311-F408 HydrophobicContact CE-CE1 4.45Å; M311-F408 HydrophobicContact CE-CE2 3.64Å; M311-F408 HydrophobicContact CE-CZ 3.84Å; T404-F408 HydrophobicContact CG2-CD2 3.64Å; T404-F408 HydrophobicContact CG2-CE2 4Å; T404-F408 WeakPolarHBondContact O-CB 3.45Å; T404-F408 PolarHBondContact O-N 2.8Å; F408-K412 HydrophobicContact CB-CB 3.99Å; F408-K412 HydrophobicContact CB-CG 4.26Å; F408-K412 HydrophobicContact CD1-CG 4.19Å; F408-K412 HydrophobicContact CG-CG 4.43Å; F408-K412 VanDerWaalsContact O-CB 3.22Å; F408-K412 WeakPolarHBondContact O-CB 3.38Å; F408-I413 HydrophobicContact CB-CG1 4.34Å
409G97.4Very high97.7Very high29 Ų2949.4 Ų49.430%0.29924%0.238SC..Hα-helixtrans66.9169.9-166.800000112.6I405 D411 I413I405-G409 WeakPolarHBondContact O-CA 3.12Å; I405-G409 PolarHBondContact O-N 2.9Å; G409-D411 VanDerWaalsContact C-N 3.27Å; G409-D411 PolarHBondContact O-N 3.31Å; G409-I413 WeakPolarHBondContact O-CG1 3.13Å
410A96.7Very high97.7Very high20 Ų2049.8 Ų49.817%0.16524%0.24CC..Hα-helixtrans-63.3-34.8178.800000112.4L125 I413 R414L125-A410 HydrophobicContact CD2-CB 3.55Å; A410-I413 PolarHBondContact O-N 2.84Å; A410-R414 WeakPolarHBondContact O-CB 3.04Å; A410-R414 WeakPolarHBondContact O-CD 3.02Å; A410-R414 WeakPolarHBondContact O-CG 2.89Å; A410-R414 PolarHBondContact O-N 3.35Å
411D97.8Very high97.7Very high116 Ų11649.8 Ų49.862%0.6224%0.24SC*.Hα-helixtrans-67-41.3-173.3-67.4-22.3000112.7G409 R414 E415G409-D411 VanDerWaalsContact C-N 3.27Å; G409-D411 PolarHBondContact O-N 3.31Å; D411-R414 PolarHBondContact O-N 3.5Å; D411-R414 IonicContact OD1-NH1 3.81Å; D411-R414 PolarHBondContact OD1-NH1 3.44Å; D411-E415 WeakPolarHBondContact O-CB 3.36Å; D411-E415 PolarHBondContact O-N 3.16Å
412K97.5Very high97.7Very high91 Ų9153 Ų5340%0.39626%0.262SS..Hα-helixtrans-70.6-35.2177.5-172.459.6171-177.10112.3F408 E415 N416F408-K412 HydrophobicContact CB-CB 3.99Å; F408-K412 HydrophobicContact CB-CG 4.26Å; F408-K412 HydrophobicContact CD1-CG 4.19Å; F408-K412 HydrophobicContact CG-CG 4.43Å; F408-K412 VanDerWaalsContact O-CB 3.22Å; F408-K412 WeakPolarHBondContact O-CB 3.38Å; K412-E415 WeakPolarHBondContact CD-OE2 3.4Å; K412-E415 IonicContact NZ-OE1 3.65Å; K412-E415 PolarHBondContact NZ-OE1 2.83Å; K412-E415 IonicContact NZ-OE2 2.64Å; K412-E415 PolarHBondContact NZ-OE2 3.28Å; K412-E415 PolarHBondContact O-N 3.5Å; K412-N416 WeakPolarHBondContact O-CB 3.38Å; K412-N416 PolarHBondContact O-N 2.98Å
413I97.3Very high97.7Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-63.9-44.6173.6-59.8169.9000109.9I285 M310 I405 F408 G409 A410 N416 F417I285-I413 HydrophobicContact CD1-CB 3.95Å; I285-I413 HydrophobicContact CD1-CD1 4.42Å; I285-I413 HydrophobicContact CD1-CG2 3.68Å; I285-I413 HydrophobicContact CG2-CG2 4.49Å; M310-I413 HydrophobicContact CB-CG2 4.36Å; M310-I413 HydrophobicContact CE-CG2 4.35Å; M310-I413 HydrophobicContact CG-CG2 4.35Å; I405-I413 HydrophobicContact CG1-CD1 4.46Å; F408-I413 HydrophobicContact CB-CG1 4.34Å; G409-I413 WeakPolarHBondContact O-CG1 3.13Å; A410-I413 PolarHBondContact O-N 2.84Å; I413-N416 PolarHBondContact O-N 3.1Å; I413-F417 PolarHBondContact O-N 3.22Å
414R97.9Very high97.7Very high47 Ų4747.4 Ų47.418%0.17724%0.24CC..Hα-helixtrans-61.1-45.4174.6-70.3164.3-178.6152.40.3112.1I285 A410 D411 N416 F417 R418I285-R414 HydrophobicContact CG1-CG 4.09Å; I285-R414 HydrophobicContact CG2-CG 4.16Å; I285-R414 PolarHBondContact O-NE 3.23Å; A410-R414 WeakPolarHBondContact O-CB 3.04Å; A410-R414 WeakPolarHBondContact O-CD 3.02Å; A410-R414 WeakPolarHBondContact O-CG 2.89Å; A410-R414 PolarHBondContact O-N 3.35Å; D411-R414 PolarHBondContact O-N 3.5Å; D411-R414 IonicContact OD1-NH1 3.81Å; D411-R414 PolarHBondContact OD1-NH1 3.44Å; R414-N416 PolarHBondContact O-N 3.47Å; R414-F417 PolarHBondContact O-N 3.34Å; R414-R418 WeakPolarHBondContact O-CB 3.48Å; R414-R418 VanDerWaalsContact O-CG 3.28Å; R414-R418 WeakPolarHBondContact O-CG 3.23Å; R414-R418 PolarHBondContact O-N 3.35Å
415E97.7Very high97.7Very high105 Ų10553.5 Ų53.549%0.49127%0.266SS..Hα-helixtrans-57.2-48177.2-173.4-160.6140.100111D411 K412 F417 R418 K419D411-E415 WeakPolarHBondContact O-CB 3.36Å; D411-E415 PolarHBondContact O-N 3.16Å; K412-E415 WeakPolarHBondContact CD-OE2 3.4Å; K412-E415 IonicContact NZ-OE1 3.65Å; K412-E415 PolarHBondContact NZ-OE1 2.83Å; K412-E415 IonicContact NZ-OE2 2.64Å; K412-E415 PolarHBondContact NZ-OE2 3.28Å; K412-E415 PolarHBondContact O-N 3.5Å; E415-F417 PolarHBondContact O-N 3.33Å; E415-R418 PolarHBondContact O-N 3.12Å; E415-K419 PolarHBondContact O-N 2.92Å
416N96.5Very high97.7Very high29 Ų2955.4 Ų55.416%0.15527%0.273CS..Hα-helixtrans-61.9-43.4178-177.972.7000112.1M311 K412 I413 R414 K419 M420 T503M311-N416 HydrophobicContact SD-CB 3.78Å; K412-N416 WeakPolarHBondContact O-CB 3.38Å; K412-N416 PolarHBondContact O-N 2.98Å; I413-N416 PolarHBondContact O-N 3.1Å; R414-N416 PolarHBondContact O-N 3.47Å; N416-K419 PolarHBondContact O-N 3.4Å; N416-M420 PolarHBondContact O-N 3.07Å; N416-T503 WeakPolarHBondContact OD1-CG2 3.48Å
417F96.8Very high97.7Very high1 Ų147.7 Ų47.70%0.00424%0.244CC..Hα-helixtrans-64.4-42.6177.1-158.7-77.9000111.8C282 A283 Y289 A309 I413 R414 E415 K419 M420 C421 L445C282-F417 HydrophobicContact CB-CD2 4.42Å; C282-F417 HydrophobicContact CB-CE2 3.81Å; A283-F417 HydrophobicContact CB-CD1 4.3Å; A283-F417 HydrophobicContact CB-CE1 3.4Å; A283-F417 HydrophobicContact CB-CE2 4.17Å; A283-F417 HydrophobicContact CB-CZ 3.33Å; Y289-F417 HydrophobicContact CD2-CD1 4.39Å; Y289-F417 HydrophobicContact CD2-CE1 4.31Å; Y289-F417 HydrophobicContact CE2-CD1 4.17Å; Y289-F417 HydrophobicContact CE2-CE1 4.23Å; A309-F417 HydrophobicContact CB-CD2 3.96Å; A309-F417 HydrophobicContact CB-CE2 3.54Å; I413-F417 PolarHBondContact O-N 3.22Å; R414-F417 PolarHBondContact O-N 3.34Å; E415-F417 PolarHBondContact O-N 3.33Å; F417-K419 PolarHBondContact O-N 3.35Å; F417-M420 HydrophobicContact CD1-CE 4.04Å; F417-M420 HydrophobicContact CD2-CE 3.98Å; F417-M420 HydrophobicContact CE1-CE 3.66Å; F417-M420 HydrophobicContact CE2-CE 3.62Å; F417-M420 HydrophobicContact CG-CE 4.17Å; F417-M420 HydrophobicContact CZ-CE 3.42Å; F417-M420 VanDerWaalsContact CZ-CE 3.42Å; F417-M420 WeakPolarHBondContact O-CB 3.11Å; F417-M420 PolarHBondContact O-N 3.38Å; F417-C421 VanDerWaalsContact CE1-SG 3.5Å; F417-C421 PolarHBondContact O-N 2.85Å; F417-C421 PolarHBondContact O-SG 3.12Å; F417-C421 VanDerWaalsContact O-SG 3.37Å; F417-L445 HydrophobicContact CE1-CD2 4.07Å; F417-L445 HydrophobicContact CZ-CD1 4.32Å; F417-L445 HydrophobicContact CZ-CD2 4.46Å
418R97.8Very high97.8Very high101 Ų10144.9 Ų44.938%0.38122%0.221SC..Hα-helixtrans-62.8-39.3175.6-74.2167.3175.9151.9-0.3112.4E288 R414 E415 C421 S422E288-R418 IonicContact OE1-CZ 3.71Å; E288-R418 IonicContact OE1-NE 2.83Å; E288-R418 PolarHBondContact OE1-NE 3.23Å; E288-R418 IonicContact OE1-NH2 2.76Å; E288-R418 PolarHBondContact OE1-NH2 3.48Å; E288-R418 IonicContact OE2-CZ 2.99Å; E288-R418 IonicContact OE2-NE 2.97Å; E288-R418 IonicContact OE2-NH2 3.3Å; E288-R418 PolarHBondContact OE2-NH2 3.06Å; R414-R418 WeakPolarHBondContact O-CB 3.48Å; R414-R418 VanDerWaalsContact O-CG 3.28Å; R414-R418 WeakPolarHBondContact O-CG 3.23Å; R414-R418 PolarHBondContact O-N 3.35Å; E415-R418 PolarHBondContact O-N 3.12Å; R418-C421 PolarHBondContact O-N 2.69Å; R418-S422 WeakPolarHBondContact O-CB 3.48Å; R418-S422 PolarHBondContact O-N 3.44Å; R418-S422 PolarHBondContact O-OG 3.37Å
419K97.9Very high97.8Very high58 Ų5843.5 Ų43.525%0.25222%0.219SC..Hα-helixtrans-59.7-47.4173.4-179.5-170.2173.6-170.80110.9E415 N416 F417 C421 S422 L423 T503 T505 E506E415-K419 PolarHBondContact O-N 2.92Å; N416-K419 PolarHBondContact O-N 3.4Å; F417-K419 PolarHBondContact O-N 3.35Å; K419-C421 VanDerWaalsContact C-N 3.33Å; K419-C421 PolarHBondContact O-N 3.03Å; K419-S422 PolarHBondContact O-N 2.91Å; K419-S422 PolarHBondContact O-OG 2.7Å; K419-L423 HydrophobicContact CG-CD1 4.13Å; K419-L423 WeakPolarHBondContact O-CG 3.32Å; K419-L423 PolarHBondContact O-N 3.38Å; K419-T503 PolarHBondContact NZ-O 3.24Å; K419-T505 WeakPolarHBondContact CE-O 3.27Å; K419-T505 PolarHBondContact NZ-O 3.41Å; K419-E506 WeakPolarHBondContact CE-OE1 3.37Å; K419-E506 IonicContact NZ-OE1 3.38Å; K419-E506 PolarHBondContact NZ-OE1 2.92Å; K419-E506 IonicContact NZ-OE2 2.81Å
420M97.5Very high97.8Very high17 Ų1743.2 Ų43.28%0.08421%0.21CC..Hα-helixtrans-55.7-48.6176.1-179.7-168.568.400111.4P81 Y279 N416 F417 L423 A424 I500P81-M420 HydrophobicContact CG-SD 3.78Å; Y279-M420 HydrophobicContact CE2-CE 4.46Å; Y279-M420 WeakPolarHBondContact OH-CE 3.42Å; N416-M420 PolarHBondContact O-N 3.07Å; F417-M420 HydrophobicContact CD1-CE 4.04Å; F417-M420 HydrophobicContact CD2-CE 3.98Å; F417-M420 HydrophobicContact CE1-CE 3.66Å; F417-M420 HydrophobicContact CE2-CE 3.62Å; F417-M420 HydrophobicContact CG-CE 4.17Å; F417-M420 HydrophobicContact CZ-CE 3.42Å; F417-M420 VanDerWaalsContact CZ-CE 3.42Å; F417-M420 WeakPolarHBondContact O-CB 3.11Å; F417-M420 PolarHBondContact O-N 3.38Å; M420-L423 PolarHBondContact O-N 2.72Å; M420-A424 PolarHBondContact O-N 3.47Å; M420-A424 VanDerWaalsContact O-N 3.16Å; M420-I500 HydrophobicContact CB-CG2 4.32Å; M420-I500 HydrophobicContact CG-CB 3.77Å; M420-I500 HydrophobicContact CG-CG2 3.82Å; M420-I500 WeakPolarHBondContact CG-O 3.23Å
421C97.6Very high97.9Very high1 Ų142.2 Ų42.21%0.00720%0.202CC..Hα-helixtrans-66.5-36.9178.6-62.90000113.4Y289 F417 R418 K419 A424 K425Y289-C421 WeakPolarHBondContact OH-CB 3.22Å; F417-C421 VanDerWaalsContact CE1-SG 3.5Å; F417-C421 PolarHBondContact O-N 2.85Å; F417-C421 PolarHBondContact O-SG 3.12Å; F417-C421 VanDerWaalsContact O-SG 3.37Å; R418-C421 PolarHBondContact O-N 2.69Å; K419-C421 VanDerWaalsContact C-N 3.33Å; K419-C421 PolarHBondContact O-N 3.03Å; C421-A424 PolarHBondContact O-N 3.47Å; C421-K425 WeakPolarHBondContact O-CG 3.18Å; C421-K425 PolarHBondContact O-N 3.47Å
422S98.1Very high97.9Very high66 Ų6643.1 Ų43.146%0.46220%0.203SC..Hα-helixtrans-68.6-37.1179.274.40000112.1R418 K419 K425 Y426R418-S422 WeakPolarHBondContact O-CB 3.48Å; R418-S422 PolarHBondContact O-N 3.44Å; R418-S422 PolarHBondContact O-OG 3.37Å; K419-S422 PolarHBondContact O-N 2.91Å; K419-S422 PolarHBondContact O-OG 2.7Å; S422-K425 PolarHBondContact O-N 2.97Å; S422-Y426 WeakPolarHBondContact O-CB 3.42Å; S422-Y426 PolarHBondContact O-N 3.26Å
423L98.6Very high97.8Very high13 Ų1346.5 Ų46.57%0.06822%0.217CC..Hα-helixtrans-66.5-38.9174-70.1172.6000112.1K419 M420 Y426 F427 I500 T505 K507 V510K419-L423 HydrophobicContact CG-CD1 4.13Å; K419-L423 WeakPolarHBondContact O-CG 3.32Å; K419-L423 PolarHBondContact O-N 3.38Å; M420-L423 PolarHBondContact O-N 2.72Å; L423-Y426 WeakPolarHBondContact O-CB 3.29Å; L423-Y426 PolarHBondContact O-N 3.03Å; L423-F427 PolarHBondContact O-N 2.9Å; L423-I500 HydrophobicContact CB-CD1 4.09Å; L423-I500 HydrophobicContact CB-CG1 3.99Å; L423-I500 HydrophobicContact CB-CG2 4.23Å; L423-I500 HydrophobicContact CD1-CG2 4.15Å; L423-T505 HydrophobicContact CD1-CG2 4.06Å; L423-T505 WeakPolarHBondContact CD1-O 3.21Å; L423-K507 HydrophobicContact CD2-CB 4.32Å; L423-V510 HydrophobicContact CB-CG2 4.29Å; L423-V510 HydrophobicContact CD2-CG2 4.17Å
424A98.4Very high97.8Very high0 Ų047.4 Ų47.40%022%0.222CC..Hα-helixtrans-64.2-45.6174.900000111.6M420 C421 Y426 F427 A428 V448 I500M420-A424 PolarHBondContact O-N 3.47Å; M420-A424 VanDerWaalsContact O-N 3.16Å; C421-A424 PolarHBondContact O-N 3.47Å; A424-Y426 VanDerWaalsContact C-N 3.3Å; A424-Y426 PolarHBondContact O-N 2.99Å; A424-F427 PolarHBondContact O-N 3.25Å; A424-A428 PolarHBondContact O-N 2.85Å; A424-V448 HydrophobicContact CB-CG2 4.12Å; A424-V448 WeakPolarHBondContact O-CG2 3.48Å; A424-I500 HydrophobicContact CB-CG1 3.92Å
425K98.2Very high97.5Very high127 Ų12753.4 Ų53.455%0.55225%0.252SS*.Hα-helixtrans-60.1-39.5172.8-72.7178.8178.6-177.30112.2C421 S422 A428 S429 V443C421-K425 WeakPolarHBondContact O-CG 3.18Å; C421-K425 PolarHBondContact O-N 3.47Å; S422-K425 PolarHBondContact O-N 2.97Å; K425-A428 PolarHBondContact O-N 2.83Å; K425-S429 PolarHBondContact O-N 2.96Å; K425-V443 HydrophobicContact CG-CG1 4.49Å
426Y98.6Very high97.2Very high55 Ų5551.3 Ų51.322%0.21625%0.245CC..Hα-helixtrans-63.1-47.3175.4176.4-117.2000111.7S422 L423 A424 A428 S429 L430 K507 V510 N511S422-Y426 WeakPolarHBondContact O-CB 3.42Å; S422-Y426 PolarHBondContact O-N 3.26Å; L423-Y426 WeakPolarHBondContact O-CB 3.29Å; L423-Y426 PolarHBondContact O-N 3.03Å; A424-Y426 VanDerWaalsContact C-N 3.3Å; A424-Y426 PolarHBondContact O-N 2.99Å; Y426-A428 VanDerWaalsContact C-N 3.35Å; Y426-A428 PolarHBondContact O-N 2.89Å; Y426-S429 WeakPolarHBondContact O-CB 3.32Å; Y426-S429 PolarHBondContact O-N 3.35Å; Y426-S429 PolarHBondContact O-OG 3.41Å; Y426-L430 HydrophobicContact CD1-CD1 4.38Å; Y426-L430 HydrophobicContact CE1-CD1 3.87Å; Y426-L430 HydrophobicContact CE2-CD2 4.28Å; Y426-L430 HydrophobicContact CE2-CG 4.4Å; Y426-L430 PolarHBondContact O-N 3.06Å; Y426-K507 HydrophobicContact CD1-CG 3.81Å; Y426-K507 HydrophobicContact CE1-CD 4.06Å; Y426-K507 VanDerWaalsContact CE1-CE 3.48Å; Y426-K507 HydrophobicContact CE1-CG 3.39Å; Y426-K507 VanDerWaalsContact CE2-CE 3.47Å; Y426-K507 WeakPolarHBondContact OH-CE 3.29Å; Y426-V510 HydrophobicContact CD1-CB 4.39Å; Y426-V510 HydrophobicContact CD1-CG1 3.91Å; Y426-V510 HydrophobicContact CE1-CG1 4.27Å; Y426-N511 WeakPolarHBondContact CE1-OD1 3.34Å; Y426-N511 PolarHBondContact OH-ND2 2.64Å; Y426-N511 PolarHBondContact OH-OD1 3.23Å
427F98.7Very high97.2Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-57-47.2174.6178-105.3000111.6L423 A424 S429 L430 V431 V448 F450 L498 V510 W514 I517L423-F427 PolarHBondContact O-N 2.9Å; A424-F427 PolarHBondContact O-N 3.25Å; F427-S429 VanDerWaalsContact C-N 3.29Å; F427-S429 PolarHBondContact O-N 2.89Å; F427-L430 WeakPolarHBondContact O-CA 3.47Å; F427-L430 VanDerWaalsContact O-CB 3.29Å; F427-L430 WeakPolarHBondContact O-CB 3.45Å; F427-L430 PolarHBondContact O-N 3.29Å; F427-V431 HydrophobicContact CD1-CG2 4.1Å; F427-V431 HydrophobicContact CE1-CG2 3.59Å; F427-V431 HydrophobicContact CE2-CG2 4.21Å; F427-V431 HydrophobicContact CZ-CG2 3.64Å; F427-V431 WeakPolarHBondContact O-CG2 3.24Å; F427-V431 PolarHBondContact O-N 3.02Å; F427-V431 VanDerWaalsContact O-N 3.08Å; F427-V448 HydrophobicContact CD1-CB 3.78Å; F427-V448 HydrophobicContact CD1-CG1 3.78Å; F427-V448 HydrophobicContact CD1-CG2 3.88Å; F427-V448 HydrophobicContact CE1-CB 4.08Å; F427-V448 HydrophobicContact CE1-CG1 3.88Å; F427-F450 AromaticContact CE1-CD1 3.8Å; F427-F450 HydrophobicContact CE1-CD1 3.8Å; F427-F450 AromaticContact CE1-CE1 3.66Å; F427-F450 HydrophobicContact CE1-CE1 3.66Å; F427-F450 HydrophobicContact CE1-CG 4.46Å; F427-F450 HydrophobicContact CE1-CZ 4.22Å; F427-F450 HydrophobicContact CZ-CD1 4.22Å; F427-F450 AromaticContact CZ-CE1 3.75Å; F427-F450 HydrophobicContact CZ-CE1 3.75Å; F427-F450 HydrophobicContact CZ-CE2 4.35Å; F427-F450 AromaticContact CZ-CZ 3.83Å; F427-F450 HydrophobicContact CZ-CZ 3.83Å; F427-L498 HydrophobicContact CD1-CB 4.34Å; F427-L498 HydrophobicContact CD1-CD1 4.17Å; F427-L498 HydrophobicContact CD1-CD2 4.2Å; F427-L498 HydrophobicContact CD1-CG 4.45Å; F427-L498 HydrophobicContact CD2-CD1 3.97Å; F427-L498 HydrophobicContact CE1-CB 3.91Å; F427-L498 HydrophobicContact CE1-CD1 3.86Å; F427-L498 HydrophobicContact CE1-CG 4.29Å; F427-L498 HydrophobicContact CE2-CD1 3.63Å; F427-L498 HydrophobicContact CG-CD1 4.24Å; F427-L498 HydrophobicContact CG-CD2 4.35Å; F427-L498 HydrophobicContact CZ-CB 4.33Å; F427-L498 HydrophobicContact CZ-CD1 3.59Å; F427-L498 HydrophobicContact CZ-CG 4.48Å; F427-V510 HydrophobicContact CB-CG1 3.69Å; F427-V510 HydrophobicContact CD2-CG1 3.94Å; F427-V510 HydrophobicContact CG-CG1 4.28Å; F427-W514 HydrophobicContact CD2-CB 4.42Å; F427-W514 HydrophobicContact CE2-CB 4.18Å; F427-W514 HydrophobicContact CE2-CD2 4.37Å; F427-W514 AromaticContact CE2-CE3 3.76Å; F427-W514 HydrophobicContact CE2-CE3 3.76Å; F427-W514 HydrophobicContact CZ-CE3 4.14Å; F427-I517 HydrophobicContact CE2-CD1 4.09Å; F427-I517 HydrophobicContact CZ-CD1 4.02Å
428A98.5Very high97Very high4 Ų451.9 Ų51.93%0.03325%0.246CC..Hα-helixtrans-55.8-42.817600000112.6A424 K425 Y426 L430 V431 E432 I439 V443 V448A424-A428 PolarHBondContact O-N 2.85Å; K425-A428 PolarHBondContact O-N 2.83Å; Y426-A428 VanDerWaalsContact C-N 3.35Å; Y426-A428 PolarHBondContact O-N 2.89Å; A428-L430 PolarHBondContact O-N 3.42Å; A428-V431 WeakPolarHBondContact O-CB 3.24Å; A428-V431 PolarHBondContact O-N 3.17Å; A428-V431 VanDerWaalsContact O-N 3.07Å; A428-E432 WeakPolarHBondContact O-CG 3.44Å; A428-E432 PolarHBondContact O-N 2.9Å; A428-I439 HydrophobicContact CB-CD1 4.35Å; A428-V443 HydrophobicContact CB-CB 4.42Å; A428-V443 HydrophobicContact CB-CG1 4.22Å; A428-V443 HydrophobicContact CB-CG2 3.64Å; A428-V448 HydrophobicContact CB-CG1 4.26Å; A428-V448 HydrophobicContact CB-CG2 4.31Å
429S98.3Very high96.9Very high33 Ų3349.1 Ų49.123%0.23124%0.239CC..Hα-helixtrans-63.2-24.1176.382.30000113.9K425 Y426 F427 K433K425-S429 PolarHBondContact O-N 2.96Å; Y426-S429 WeakPolarHBondContact O-CB 3.32Å; Y426-S429 PolarHBondContact O-N 3.35Å; Y426-S429 PolarHBondContact O-OG 3.41Å; F427-S429 VanDerWaalsContact C-N 3.29Å; F427-S429 PolarHBondContact O-N 2.89Å; S429-K433 VanDerWaalsContact O-CD 3.27Å; S429-K433 WeakPolarHBondContact O-CD 3.4Å; S429-K433 WeakPolarHBondContact O-CG 3.24Å
430L98.4Very high96.5Very high23 Ų2348 Ų4812%0.1224%0.236CC..Hα-helixtrans-77.2-41.5173.5-63.7173.7000110.8Y426 F427 A428 K433 V510 W514Y426-L430 HydrophobicContact CD1-CD1 4.38Å; Y426-L430 HydrophobicContact CE1-CD1 3.87Å; Y426-L430 HydrophobicContact CE2-CD2 4.28Å; Y426-L430 HydrophobicContact CE2-CG 4.4Å; Y426-L430 PolarHBondContact O-N 3.06Å; F427-L430 WeakPolarHBondContact O-CA 3.47Å; F427-L430 VanDerWaalsContact O-CB 3.29Å; F427-L430 WeakPolarHBondContact O-CB 3.45Å; F427-L430 PolarHBondContact O-N 3.29Å; A428-L430 PolarHBondContact O-N 3.42Å; L430-K433 PolarHBondContact O-N 3.04Å; L430-V510 HydrophobicContact CD1-CG1 4.38Å; L430-W514 HydrophobicContact CB-CD2 4.17Å; L430-W514 HydrophobicContact CB-CG 4.05Å; L430-W514 HydrophobicContact CD1-CB 4.09Å; L430-W514 HydrophobicContact CD1-CG 4.01Å; L430-W514 VanDerWaalsContact O-CZ2 3.27Å; L430-W514 WeakPolarHBondContact O-CZ2 3.41Å
431V97.9Very high96.1Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-61.8-48.4176.3179.20000110.8F427 A428 K433 D434 F437 I439 F450 W514F427-V431 HydrophobicContact CD1-CG2 4.1Å; F427-V431 HydrophobicContact CE1-CG2 3.59Å; F427-V431 HydrophobicContact CE2-CG2 4.21Å; F427-V431 HydrophobicContact CZ-CG2 3.64Å; F427-V431 WeakPolarHBondContact O-CG2 3.24Å; F427-V431 PolarHBondContact O-N 3.02Å; F427-V431 VanDerWaalsContact O-N 3.08Å; A428-V431 WeakPolarHBondContact O-CB 3.24Å; A428-V431 PolarHBondContact O-N 3.17Å; A428-V431 VanDerWaalsContact O-N 3.07Å; V431-K433 PolarHBondContact O-N 3.35Å; V431-D434 PolarHBondContact O-N 3.32Å; V431-D434 VanDerWaalsContact O-N 3.09Å; V431-F437 HydrophobicContact CG1-CB 3.68Å; V431-F437 HydrophobicContact CG1-CG 4.48Å; V431-I439 HydrophobicContact CB-CD1 3.96Å; V431-I439 HydrophobicContact CG1-CD1 3.72Å; V431-I439 HydrophobicContact CG1-CG1 4.28Å; V431-I439 HydrophobicContact CG2-CD1 4.49Å; V431-F450 HydrophobicContact CG1-CB 3.92Å; V431-F450 HydrophobicContact CG1-CD2 4.41Å; V431-F450 HydrophobicContact CG1-CG 4.4Å; V431-F450 HydrophobicContact CG2-CD2 4.46Å; V431-F450 HydrophobicContact CG2-CG 4.4Å; V431-W514 HydrophobicContact CB-CH2 4.32Å; V431-W514 HydrophobicContact CB-CZ3 4.48Å; V431-W514 HydrophobicContact CG2-CE3 4.23Å; V431-W514 HydrophobicContact CG2-CH2 4.09Å; V431-W514 HydrophobicContact CG2-CZ3 3.77Å
432E96.6Very high95.8Very high134 Ų13452.5 Ų52.563%0.62627%0.265SS*.Hα-helixtrans-62.1-28.5-178.9-71.1170.7160.300113.5A428 D434 I439A428-E432 WeakPolarHBondContact O-CG 3.44Å; A428-E432 PolarHBondContact O-N 2.9Å; E432-D434 VanDerWaalsContact C-N 3.29Å; E432-D434 PolarHBondContact O-N 3.44Å; E432-I439 HydrophobicContact CG-CG1 3.97Å
433K97.1Very high95.7Very high162 Ų16251.2 Ų51.270%0.70425%0.254SS*.THydrogen-bonded Turntrans-74.2-18177.7-76.3171.2-173.5173.20113.4S429 L430 V431S429-K433 VanDerWaalsContact O-CD 3.27Å; S429-K433 WeakPolarHBondContact O-CD 3.4Å; S429-K433 WeakPolarHBondContact O-CG 3.24Å; L430-K433 PolarHBondContact O-N 3.04Å; V431-K433 PolarHBondContact O-N 3.35Å
434D95.6Very high95.4Very high19 Ų1952.2 Ų52.210%0.10226%0.261CS..  trans-102.5113.4-177.8-161.3-51.3000110.5V431 E432 N436 F437 W514 K518V431-D434 PolarHBondContact O-N 3.32Å; V431-D434 VanDerWaalsContact O-N 3.09Å; E432-D434 VanDerWaalsContact C-N 3.29Å; E432-D434 PolarHBondContact O-N 3.44Å; D434-N436 PolarHBondContact O-N 2.88Å; D434-N436 WeakPolarHBondContact OD1-CB 3.33Å; D434-N436 PolarHBondContact OD1-N 2.95Å; D434-N436 PolarHBondContact OD1-ND2 3.42Å; D434-F437 HydrophobicContact CB-CD2 3.81Å; D434-F437 HydrophobicContact CB-CE2 4.39Å; D434-F437 PolarHBondContact O-N 3.41Å; D434-W514 HydrophobicContact CB-CH2 4.17Å; D434-W514 HydrophobicContact CB-CZ2 3.79Å; D434-K518 WeakPolarHBondContact OD2-CE 3.41Å; D434-K518 IonicContact OD2-NZ 2.72Å; D434-K518 PolarHBondContact OD2-NZ 3.27Å
435Q92.7Very high95.3Very high173 Ų17352.5 Ų52.581%0.80826%0.263SS*.THydrogen-bonded Turntrans-60.8-22-173.2-67-178.8-11.100113.4F437 K453Q435-F437 PolarHBondContact O-N 3.07Å; Q435-K453 WeakPolarHBondContact O-CD 3.46Å; Q435-K453 PolarHBondContact O-NZ 3.3Å
436N92.2Very high95.2Very high62 Ų6246.5 Ų46.533%0.33224%0.236SC..THydrogen-bonded Turntrans-74.5-8.3177.9-57.6-62.4000113.3D434 K453 L525D434-N436 PolarHBondContact O-N 2.88Å; D434-N436 WeakPolarHBondContact OD1-CB 3.33Å; D434-N436 PolarHBondContact OD1-N 2.95Å; D434-N436 PolarHBondContact OD1-ND2 3.42Å; N436-K453 PolarHBondContact O-N 2.95Å; N436-L525 HydrophobicContact CB-CD1 3.81Å
437F94.9Very high95.1Very high4 Ų444 Ų442%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-121.1160.2-176.9-62.9-98.3000112.2V431 D434 Q435 F450 R451 I452 K453 W514 I517 K518 A521V431-F437 HydrophobicContact CG1-CB 3.68Å; V431-F437 HydrophobicContact CG1-CG 4.48Å; D434-F437 HydrophobicContact CB-CD2 3.81Å; D434-F437 HydrophobicContact CB-CE2 4.39Å; D434-F437 PolarHBondContact O-N 3.41Å; Q435-F437 PolarHBondContact O-N 3.07Å; F437-F450 HydrophobicContact CD1-CD2 4.03Å; F437-F450 HydrophobicContact CD1-CE2 4.37Å; F437-F450 HydrophobicContact CE1-CD2 4.48Å; F437-F450 HydrophobicContact CE1-CE2 4.36Å; F437-R451 VanDerWaalsContact CA-O 3.23Å; F437-R451 WeakPolarHBondContact CA-O 3.44Å; F437-I452 HydrophobicContact CD1-CG1 4.02Å; F437-I452 HydrophobicContact CE1-CG1 3.56Å; F437-I452 HydrophobicContact CZ-CG1 4.26Å; F437-K453 WeakPolarHBondContact O-CE 3.5Å; F437-K453 PolarHBondContact O-NZ 3.43Å; F437-W514 HydrophobicContact CD1-CH2 4.21Å; F437-W514 HydrophobicContact CD1-CZ3 4.28Å; F437-W514 AromaticContact CD2-CH2 3.62Å; F437-W514 HydrophobicContact CD2-CH2 3.62Å; F437-W514 HydrophobicContact CD2-CZ2 4.47Å; F437-W514 HydrophobicContact CD2-CZ3 4.41Å; F437-W514 HydrophobicContact CE1-CH2 4.23Å; F437-W514 HydrophobicContact CE1-CZ3 4.09Å; F437-W514 AromaticContact CE2-CH2 3.65Å; F437-W514 HydrophobicContact CE2-CH2 3.65Å; F437-W514 HydrophobicContact CE2-CZ2 4.44Å; F437-W514 HydrophobicContact CE2-CZ3 4.24Å; F437-W514 AromaticContact CG-CH2 3.89Å; F437-W514 HydrophobicContact CG-CH2 3.89Å; F437-W514 HydrophobicContact CG-CZ3 4.41Å; F437-W514 AromaticContact CZ-CH2 3.94Å; F437-W514 HydrophobicContact CZ-CH2 3.94Å; F437-W514 HydrophobicContact CZ-CZ3 4.05Å; F437-I517 HydrophobicContact CE1-CG2 3.73Å; F437-I517 HydrophobicContact CZ-CG2 3.96Å; F437-K518 HydrophobicContact CE2-CG 4.3Å; F437-A521 HydrophobicContact CE1-CB 4.1Å; F437-A521 HydrophobicContact CE2-CB 4.11Å; F437-A521 HydrophobicContact CZ-CB 3.39Å
438E93.8Very high95.1Very high37 Ų3744 Ų4417%0.17323%0.227CC..EExtended strand (participates in β ladder)trans-138.7152.7170.457.8179.2-178.400111.5V440 F450 R451 K453 F460E438-V440 HydrophobicContact CG-CG2 4.37Å; E438-F450 CarbonylContact O-C 3.58Å; E438-F450 WeakPolarHBondContact O-CA 3.4Å; E438-F450 VanDerWaalsContact O-CB 3.26Å; E438-F450 WeakPolarHBondContact O-CB 3.3Å; E438-R451 HydrophobicContact CG-CB 4.14Å; E438-R451 PolarHBondContact N-O 3.31Å; E438-R451 PolarHBondContact O-N 3.49Å; E438-R451 IonicContact OE1-NH1 3.68Å; E438-K453 HydrophobicContact CB-CG 4.45Å; E438-K453 HydrophobicContact CG-CG 4.25Å; E438-F460 WeakPolarHBondContact OE1-CE1 3.19Å; E438-F460 WeakPolarHBondContact OE2-CE1 3.48Å; E438-F460 WeakPolarHBondContact OE2-CZ 3.35Å
439I94.6Very high94.9Very high44 Ų4444 Ų4423%0.22623%0.227CC..EExtended strand (participates in β ladder)trans-89.2126.1166.1-62-63.5000107.7A428 V431 E432 Q441 V443 V448 F450A428-I439 HydrophobicContact CB-CD1 4.35Å; V431-I439 HydrophobicContact CB-CD1 3.96Å; V431-I439 HydrophobicContact CG1-CD1 3.72Å; V431-I439 HydrophobicContact CG1-CG1 4.28Å; V431-I439 HydrophobicContact CG2-CD1 4.49Å; E432-I439 HydrophobicContact CG-CG1 3.97Å; I439-Q441 WeakPolarHBondContact CG2-O 3.49Å; I439-V443 HydrophobicContact CG2-CG2 4.11Å; I439-V448 HydrophobicContact CD1-CG1 3.59Å; I439-F450 HydrophobicContact CD1-CB 4.07Å
440V90.4Very high94.8Very high34 Ų3442.5 Ų42.521%0.20622%0.216CC..  trans-93.1-23.4-173.4-176.30000112.1E438 C449 R451 V495E438-V440 HydrophobicContact CG-CG2 4.37Å; V440-C449 PolarHBondContact N-O 3.29Å; V440-R451 HydrophobicContact CG2-CB 4.1Å; V440-R451 HydrophobicContact CG2-CG 3.63Å; V440-V495 HydrophobicContact CB-CG2 4.44Å; V440-V495 HydrophobicContact CG1-CG2 4.09Å; V440-V495 HydrophobicContact CG2-CG2 4.3Å
441Q88.7Confident94.6Very high22 Ų2241.5 Ų41.510%0.10321%0.211CC..SBendtrans-141.4152.2-179.8-72.4-66.9-4.900110.8R220 C253 I439 V443 C449 L490R220-Q441 VanDerWaalsContact CG-NE2 3.26Å; C253-Q441 HydrophobicContact CB-CB 4.35Å; C253-Q441 HydrophobicContact CB-CG 3.85Å; I439-Q441 WeakPolarHBondContact CG2-O 3.49Å; Q441-V443 PolarHBondContact O-N 3.36Å; Q441-C449 HydrophobicContact CB-CB 4.22Å; Q441-L490 HydrophobicContact CG-CD1 4.16Å
442P92Very high94.4Very high90 Ų9041.6 Ų41.658%0.58421%0.211SC*.  trans-50134.9174.3-2735.6000112V444P442-V444 HydrophobicContact CB-CG2 4.18Å; P442-V444 PolarHBondContact O-N 3.42Å; P442-V444 VanDerWaalsContact O-N 3.1Å
443V94.9Very high94Very high40 Ų4038.5 Ų38.524%0.24220%0.195CC..  trans-76.7102179.3175.50000109K425 A428 I439 Q441 V448K425-V443 HydrophobicContact CG-CG1 4.49Å; A428-V443 HydrophobicContact CB-CB 4.42Å; A428-V443 HydrophobicContact CB-CG1 4.22Å; A428-V443 HydrophobicContact CB-CG2 3.64Å; I439-V443 HydrophobicContact CG2-CG2 4.11Å; Q441-V443 PolarHBondContact O-N 3.36Å; V443-V448 HydrophobicContact CG1-CG2 3.98Å; V443-V448 HydrophobicContact CG2-CG1 4.26Å; V443-V448 HydrophobicContact CG2-CG2 4.37Å
444V93.1Very high92.8Very high33 Ų3332 Ų3220%0.217%0.172CC..BIsolated β-bridgetrans-118.9133.9-178.4-172.10000110F256 W291 P442 G446 V447F256-V444 HydrophobicContact CE2-CB 4.12Å; F256-V444 HydrophobicContact CE2-CG1 3.41Å; F256-V444 VanDerWaalsContact CE2-CG1 3.41Å; F256-V444 HydrophobicContact CZ-CG1 3.75Å; W291-V444 HydrophobicContact CH2-CG1 4.39Å; W291-V444 HydrophobicContact CZ2-CG1 4.36Å; P442-V444 HydrophobicContact CB-CG2 4.18Å; P442-V444 PolarHBondContact O-N 3.42Å; P442-V444 VanDerWaalsContact O-N 3.1Å; V444-G446 PolarHBondContact O-N 3.28Å; V444-V447 PolarHBondContact O-N 3.22Å
445L96.4Very high91.1Very high7 Ų734.6 Ų34.64%0.03719%0.192CC..THydrogen-bonded Turntrans53.7-125.8-175.5-51-178.4000112.6F256 Y279 A280 A283 Y289 I292 F417F256-L445 HydrophobicContact CZ-CD1 4.47Å; Y279-L445 HydrophobicContact CD1-CD1 4.31Å; Y279-L445 HydrophobicContact CE1-CB 4.05Å; Y279-L445 HydrophobicContact CE1-CD1 3.83Å; A280-L445 HydrophobicContact CB-CD1 3.58Å; A283-L445 HydrophobicContact CB-CD1 3.9Å; A283-L445 HydrophobicContact CB-CD2 3.66Å; A283-L445 HydrophobicContact CB-CG 4.43Å; Y289-L445 HydrophobicContact CD1-CD2 3.76Å; Y289-L445 HydrophobicContact CD2-CD2 4.35Å; Y289-L445 HydrophobicContact CE1-CD2 3.8Å; Y289-L445 HydrophobicContact CE2-CD2 4.43Å; Y289-L445 HydrophobicContact CG-CD2 4.08Å; I292-L445 HydrophobicContact CD1-CD1 4.36Å; I292-L445 HydrophobicContact CD1-CD2 4.3Å; F417-L445 HydrophobicContact CE1-CD2 4.07Å; F417-L445 HydrophobicContact CZ-CD1 4.32Å; F417-L445 HydrophobicContact CZ-CD2 4.46Å
446G96.6Very high89.2Confident0 Ų029.9 Ų29.90%018%0.175CC..THydrogen-bonded Turntrans-94.88-17700000114.7Y279 V444 C499 I500Y279-G446 WeakPolarHBondContact OH-CA 3.41Å; Y279-G446 PolarHBondContact OH-N 3.05Å; Y279-G446 VanDerWaalsContact OH-N 3.09Å; V444-G446 PolarHBondContact O-N 3.28Å; G446-C499 CarbonylContact O-C 3.54Å; G446-C499 VanDerWaalsContact O-CA 3.29Å; G446-C499 WeakPolarHBondContact O-CA 3.48Å; G446-I500 PolarHBondContact O-N 3.42Å
447V96.4Very high87.1Confident4 Ų431.2 Ų31.22%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-110.9132.3-169.3-175.60000111.7F80 C254 Y279 V444 R497 C499F80-V447 HydrophobicContact CD1-CG2 4.32Å; F80-V447 HydrophobicContact CE1-CG2 3.78Å; C254-V447 HydrophobicContact CB-CB 4.1Å; C254-V447 HydrophobicContact CB-CG1 4.44Å; C254-V447 HydrophobicContact CB-CG2 4.06Å; Y279-V447 HydrophobicContact CE1-CG2 4.02Å; V444-V447 PolarHBondContact O-N 3.22Å; V447-R497 HydrophobicContact CG1-CG 4.07Å; V447-C499 HydrophobicContact CG2-CB 4.41Å
448V97.7Very high84.6Confident0 Ų040.7 Ų40.70%024%0.239CC..EExtended strand (participates in β ladder)trans-125.5118.5173-173.30000109.6A424 F427 A428 I439 V443 F450 R497 L498A424-V448 HydrophobicContact CB-CG2 4.12Å; A424-V448 WeakPolarHBondContact O-CG2 3.48Å; F427-V448 HydrophobicContact CD1-CB 3.78Å; F427-V448 HydrophobicContact CD1-CG1 3.78Å; F427-V448 HydrophobicContact CD1-CG2 3.88Å; F427-V448 HydrophobicContact CE1-CB 4.08Å; F427-V448 HydrophobicContact CE1-CG1 3.88Å; A428-V448 HydrophobicContact CB-CG1 4.26Å; A428-V448 HydrophobicContact CB-CG2 4.31Å; I439-V448 HydrophobicContact CD1-CG1 3.59Å; V443-V448 HydrophobicContact CG1-CG2 3.98Å; V443-V448 HydrophobicContact CG2-CG1 4.26Å; V443-V448 HydrophobicContact CG2-CG2 4.37Å; V448-F450 HydrophobicContact CG1-CD1 4.31Å; V448-R497 WeakPolarHBondContact O-CA 3.48Å; V448-L498 PolarHBondContact N-O 3.46Å; V448-L498 PolarHBondContact O-N 3.17Å
449C95.3Very high82.1Confident4 Ų444 Ų443%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-103115.6175.2-72.60000109.3V440 Q441 V495 L496V440-C449 PolarHBondContact N-O 3.29Å; Q441-C449 HydrophobicContact CB-CB 4.22Å; C449-V495 HydrophobicContact CB-CG1 3.76Å; C449-L496 WeakPolarHBondContact CA-O 3.37Å
450F96Very high79.9Confident0 Ų047.1 Ų47.10%028%0.278CS..EExtended strand (participates in β ladder)trans-142.7163.5-172.769.6-77.8000111.7F427 V431 F437 E438 I439 V448 L496 L498 I517F427-F450 AromaticContact CE1-CD1 3.8Å; F427-F450 HydrophobicContact CE1-CD1 3.8Å; F427-F450 AromaticContact CE1-CE1 3.66Å; F427-F450 HydrophobicContact CE1-CE1 3.66Å; F427-F450 HydrophobicContact CE1-CG 4.46Å; F427-F450 HydrophobicContact CE1-CZ 4.22Å; F427-F450 HydrophobicContact CZ-CD1 4.22Å; F427-F450 AromaticContact CZ-CE1 3.75Å; F427-F450 HydrophobicContact CZ-CE1 3.75Å; F427-F450 HydrophobicContact CZ-CE2 4.35Å; F427-F450 AromaticContact CZ-CZ 3.83Å; F427-F450 HydrophobicContact CZ-CZ 3.83Å; V431-F450 HydrophobicContact CG1-CB 3.92Å; V431-F450 HydrophobicContact CG1-CD2 4.41Å; V431-F450 HydrophobicContact CG1-CG 4.4Å; V431-F450 HydrophobicContact CG2-CD2 4.46Å; V431-F450 HydrophobicContact CG2-CG 4.4Å; F437-F450 HydrophobicContact CD1-CD2 4.03Å; F437-F450 HydrophobicContact CD1-CE2 4.37Å; F437-F450 HydrophobicContact CE1-CD2 4.48Å; F437-F450 HydrophobicContact CE1-CE2 4.36Å; E438-F450 CarbonylContact O-C 3.58Å; E438-F450 WeakPolarHBondContact O-CA 3.4Å; E438-F450 VanDerWaalsContact O-CB 3.26Å; E438-F450 WeakPolarHBondContact O-CB 3.3Å; I439-F450 HydrophobicContact CD1-CB 4.07Å; V448-F450 HydrophobicContact CG1-CD1 4.31Å; F450-L496 HydrophobicContact CD1-CB 4.22Å; F450-L496 WeakPolarHBondContact CD1-O 3.27Å; F450-L496 HydrophobicContact CD2-CB 4.28Å; F450-L496 HydrophobicContact CD2-CD1 4.32Å; F450-L496 HydrophobicContact CE1-CB 3.78Å; F450-L496 HydrophobicContact CE2-CB 3.87Å; F450-L496 HydrophobicContact CE2-CD1 3.63Å; F450-L496 HydrophobicContact CE2-CG 4.35Å; F450-L496 HydrophobicContact CG-CB 4.44Å; F450-L496 HydrophobicContact CZ-CB 3.59Å; F450-L496 HydrophobicContact CZ-CD1 3.98Å; F450-L496 HydrophobicContact CZ-CG 4.44Å; F450-L496 PolarHBondContact N-O 2.63Å; F450-L496 WeakPolarHBondContact O-CA 3.36Å; F450-L496 WeakPolarHBondContact O-CB 3.21Å; F450-L496 PolarHBondContact O-N 3.11Å; F450-L496 VanDerWaalsContact O-O 3.13Å; F450-L498 HydrophobicContact CE1-CB 3.96Å; F450-I517 HydrophobicContact CE2-CD1 4.48Å; F450-I517 HydrophobicContact CE2-CG2 3.89Å; F450-I517 HydrophobicContact CZ-CD1 3.91Å; F450-I517 HydrophobicContact CZ-CG2 4.35Å
451R94.1Very high78Confident3 Ų353.6 Ų53.61%0.01131%0.306CS..EExtended strand (participates in β ladder)trans-143.2154.7-179.6-72.4174.682.9-153.712.1111.8F437 E438 V440 S466 N467 N470 H494 V495F437-R451 VanDerWaalsContact CA-O 3.23Å; F437-R451 WeakPolarHBondContact CA-O 3.44Å; E438-R451 HydrophobicContact CG-CB 4.14Å; E438-R451 PolarHBondContact N-O 3.31Å; E438-R451 PolarHBondContact O-N 3.49Å; E438-R451 IonicContact OE1-NH1 3.68Å; V440-R451 HydrophobicContact CG2-CB 4.1Å; V440-R451 HydrophobicContact CG2-CG 3.63Å; R451-S466 PolarHBondContact NH2-OG 3.45Å; R451-N467 PolarHBondContact NH2-OD1 3.16Å; R451-N470 WeakPolarHBondContact CA-OD1 3.38Å; R451-H494 WeakPolarHBondContact CD-O 3.29Å; R451-H494 WeakPolarHBondContact CG-O 3.44Å; R451-H494 PolarHBondContact NE-O 2.75Å; R451-V495 HydrophobicContact CG-CB 4.33Å; R451-V495 HydrophobicContact CG-CG2 4.08Å
452I93.8Very high76.3Confident1 Ų161 Ų611%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-79.8125.2163.3-53.9164.5000107.9F437 S466 I469 N470 A473 A521 L525F437-I452 HydrophobicContact CD1-CG1 4.02Å; F437-I452 HydrophobicContact CE1-CG1 3.56Å; F437-I452 HydrophobicContact CZ-CG1 4.26Å; I452-S466 PolarHBondContact O-OG 2.9Å; I452-I469 HydrophobicContact CB-CG2 4.39Å; I452-I469 HydrophobicContact CD1-CG1 4.4Å; I452-I469 HydrophobicContact CG2-CD1 3.84Å; I452-I469 HydrophobicContact CG2-CG1 4.36Å; I452-N470 PolarHBondContact N-OD1 3.08Å; I452-N470 PolarHBondContact O-ND2 2.97Å; I452-A473 HydrophobicContact CD1-CB 3.56Å; I452-A521 HydrophobicContact CD1-CB 3.72Å; I452-A521 HydrophobicContact CG1-CB 3.99Å; I452-A521 HydrophobicContact CG2-CB 4.43Å; I452-L525 HydrophobicContact CG2-CD1 4.13Å; I452-L525 HydrophobicContact CG2-CD2 4.16Å; I452-L525 HydrophobicContact CG2-CG 4.22Å
453K87.9Confident74.6Confident69 Ų6958.4 Ų58.430%0.332%0.321SS..PPolyproline II helixtrans-71.9142.1174.9-64.2-179.7-171.9148.40110.2Q435 N436 F437 E438Q435-K453 WeakPolarHBondContact O-CD 3.46Å; Q435-K453 PolarHBondContact O-NZ 3.3Å; N436-K453 PolarHBondContact O-N 2.95Å; F437-K453 WeakPolarHBondContact O-CE 3.5Å; F437-K453 PolarHBondContact O-NZ 3.43Å; E438-K453 HydrophobicContact CB-CG 4.45Å; E438-K453 HydrophobicContact CG-CG 4.25Å
454A71.2Confident72.9Confident26 Ų2661.2 Ų61.222%0.21534%0.341CS..PPolyproline II helixtrans-68.7146.1169.800000110.5T456 N463A454-T456 PolarHBondContact O-N 3.23Å; A454-N463 WeakPolarHBondContact CB-ND2 3.45Å
455S60.7Low71.5Confident74 Ų7461.4 Ų61.452%0.51735%0.35SS..SBendtrans-64.6-18.9178.9520000113.7
456T52.2Low70.5Confident73 Ų7361.3 Ų61.345%0.44835%0.35SS..SBendtrans-88.2109176.855.30000108.5A454 R458A454-T456 PolarHBondContact O-N 3.23Å; T456-R458 PolarHBondContact O-N 3.17Å
457G47.9Very low70.1Confident90 Ų9063 Ų6393%0.92836%0.359SS*.  trans-64.636.7179.600000115.8
458R42Very low69.7Low203 Ų20368 Ų6877%0.76638%0.382SS*.  trans-82142.2171.4-66.3-173.6-173-179.73.6109.5T456T456-R458 PolarHBondContact O-N 3.17Å
459S42.8Very low69.4Low106 Ų10669 Ų6974%0.74139%0.387SS*.  trans-56.8149.6-177.2480000113.4E461S459-E461 PolarHBondContact O-N 2.91Å
460F48.7Very low69.3Low110 Ų11068.9 Ų68.948%0.48239%0.386SS..G310 helixtrans-68.2-22.1-156.7-82.7-83.2000117.8E438 H462E438-F460 WeakPolarHBondContact OE1-CE1 3.19Å; E438-F460 WeakPolarHBondContact OE2-CE1 3.48Å; E438-F460 WeakPolarHBondContact OE2-CZ 3.35Å; F460-H462 VanDerWaalsContact C-N 3.34Å; F460-H462 PolarHBondContact O-N 3.07Å
461E50.4Low69.1Low171 Ų17173.5 Ų73.580%0.79941%0.407SS*.G310 helixtrans-70.5-30.1-158.7-74.3177.8161.100112.7S459S459-E461 PolarHBondContact O-N 2.91Å
462H51.3Low69.1Low176 Ų17678.2 Ų78.282%0.81543%0.428SS*.G310 helixtrans-141.967.1179.4-68.83.9000112.4F460 P464F460-H462 VanDerWaalsContact C-N 3.34Å; F460-H462 PolarHBondContact O-N 3.07Å; H462-P464 VanDerWaalsContact O-CD 3.27Å; H462-P464 WeakPolarHBondContact O-CD 3.38Å
463N57.5Low69.2Low36 Ų3678.2 Ų78.219%0.19343%0.428CS..  trans-110.492172.4-165.2-13.5000112A454 G465 S466A454-N463 WeakPolarHBondContact CB-ND2 3.45Å; N463-G465 PolarHBondContact O-N 3.2Å; N463-G465 VanDerWaalsContact O-N 3.11Å; N463-G465 PolarHBondContact OD1-N 2.8Å; N463-G465 VanDerWaalsContact OD1-N 3.15Å; N463-S466 PolarHBondContact O-N 3.48Å
464P59.8Low69.5Low99 Ų9975.3 Ų75.364%0.64342%0.417SS*.Hα-helixtrans-52.2-32.9176.5-25.332.2000113.3H462 S466 N467 E468H462-P464 VanDerWaalsContact O-CD 3.27Å; H462-P464 WeakPolarHBondContact O-CD 3.38Å; P464-S466 PolarHBondContact O-N 2.86Å; P464-N467 PolarHBondContact O-N 2.93Å; P464-N467 VanDerWaalsContact O-N 3.09Å; P464-E468 PolarHBondContact O-N 2.96Å
465G61.7Low70.7Confident38 Ų3880 Ų8039%0.39243%0.433SS..Hα-helixtrans-64.4-26.3179.500000113.8N463 I469N463-G465 PolarHBondContact O-N 3.2Å; N463-G465 VanDerWaalsContact O-N 3.11Å; N463-G465 PolarHBondContact OD1-N 2.8Å; N463-G465 VanDerWaalsContact OD1-N 3.15Å; G465-I469 PolarHBondContact O-N 2.96Å
466S75.9Confident72.4Confident5 Ų579.8 Ų79.84%0.03543%0.425CS..Hα-helixtrans-76.8-28.5174.3-175.70000112.3R451 I452 N463 P464 I469 N470R451-S466 PolarHBondContact NH2-OG 3.45Å; I452-S466 PolarHBondContact O-OG 2.9Å; N463-S466 PolarHBondContact O-N 3.48Å; P464-S466 PolarHBondContact O-N 2.86Å; S466-I469 VanDerWaalsContact O-CG2 3.24Å; S466-I469 WeakPolarHBondContact O-CG2 3.26Å; S466-N470 PolarHBondContact O-N 2.88Å; S466-N470 PolarHBondContact O-ND2 3.27Å
467N88Confident74.5Confident36 Ų3676.6 Ų76.619%0.19341%0.405CS..Hα-helixtrans-70.4-49.8175.9-74.5-13.5000111.4R451 P464 I469 N470 E471 D492 H494R451-N467 PolarHBondContact NH2-OD1 3.16Å; P464-N467 PolarHBondContact O-N 2.93Å; P464-N467 VanDerWaalsContact O-N 3.09Å; N467-I469 VanDerWaalsContact C-N 3.31Å; N467-I469 PolarHBondContact O-N 3.3Å; N467-N470 PolarHBondContact O-N 3.04Å; N467-N470 VanDerWaalsContact O-N 3.12Å; N467-E471 WeakPolarHBondContact O-CG 3.4Å; N467-E471 PolarHBondContact O-N 2.98Å; N467-D492 PolarHBondContact ND2-O 2.61Å; N467-H494 HydrophobicContact CB-CB 4.04Å; N467-H494 PolarHBondContact OD1-N 2.67Å
468E88.5Confident76.8Confident108 Ų10873.5 Ų73.551%0.50537%0.367SS..Hα-helixtrans-56.2-43.2179.7-91.5-161172.600113P464 N470 E471 K472P464-E468 PolarHBondContact O-N 2.96Å; E468-N470 VanDerWaalsContact C-N 3.32Å; E468-N470 PolarHBondContact O-N 2.97Å; E468-E471 PolarHBondContact O-N 2.83Å; E468-K472 WeakPolarHBondContact O-CB 3.33Å; E468-K472 VanDerWaalsContact O-CG 3.24Å; E468-K472 WeakPolarHBondContact O-CG 3.37Å; E468-K472 PolarHBondContact O-N 2.73Å; E468-K472 IonicContact OE2-NZ 3.75Å; E468-K472 PolarHBondContact OE2-NZ 3.33Å
469I91.3Very high79.3Confident22 Ų2268.6 Ų68.611%0.11336%0.356CS..Hα-helixtrans-65.3-38.3-179.2-169.4169.1000111.5I452 G465 S466 N467 A473 L524 L525I452-I469 HydrophobicContact CB-CG2 4.39Å; I452-I469 HydrophobicContact CD1-CG1 4.4Å; I452-I469 HydrophobicContact CG2-CD1 3.84Å; I452-I469 HydrophobicContact CG2-CG1 4.36Å; G465-I469 PolarHBondContact O-N 2.96Å; S466-I469 VanDerWaalsContact O-CG2 3.24Å; S466-I469 WeakPolarHBondContact O-CG2 3.26Å; N467-I469 VanDerWaalsContact C-N 3.31Å; N467-I469 PolarHBondContact O-N 3.3Å; I469-A473 VanDerWaalsContact O-CB 3.24Å; I469-A473 WeakPolarHBondContact O-CB 3.32Å; I469-A473 PolarHBondContact O-N 3.12Å; I469-L524 HydrophobicContact CD1-CB 3.93Å; I469-L524 HydrophobicContact CG1-CB 3.87Å; I469-L524 HydrophobicContact CG1-CD1 4.04Å; I469-L525 HydrophobicContact CD1-CD2 3.67Å; I469-L525 HydrophobicContact CD1-CG 4Å
470N93.5Very high81.8Confident0 Ų068.7 Ų68.70%034%0.343CS..Hα-helixtrans-71.8-39.2177.8-75.5-80000111.2R451 I452 S466 N467 E468 A473 A474 L496R451-N470 WeakPolarHBondContact CA-OD1 3.38Å; I452-N470 PolarHBondContact N-OD1 3.08Å; I452-N470 PolarHBondContact O-ND2 2.97Å; S466-N470 PolarHBondContact O-N 2.88Å; S466-N470 PolarHBondContact O-ND2 3.27Å; N467-N470 PolarHBondContact O-N 3.04Å; N467-N470 VanDerWaalsContact O-N 3.12Å; E468-N470 VanDerWaalsContact C-N 3.32Å; E468-N470 PolarHBondContact O-N 2.97Å; N470-A473 PolarHBondContact O-N 3.09Å; N470-A474 WeakPolarHBondContact O-CB 3.44Å; N470-A474 PolarHBondContact O-N 3.44Å; N470-L496 HydrophobicContact CB-CD2 4.21Å; N470-L496 HydrophobicContact CB-CG 4.46Å; N470-L496 WeakPolarHBondContact O-CD2 3.47Å
471E92.3Very high84Confident97 Ų9763.5 Ų63.545%0.45332%0.321SS..Hα-helixtrans-60.3-48.8173.3-74.3175.1-168.900111.7N467 E468 A473 A474 K475 H494N467-E471 WeakPolarHBondContact O-CG 3.4Å; N467-E471 PolarHBondContact O-N 2.98Å; E468-E471 PolarHBondContact O-N 2.83Å; E471-A473 VanDerWaalsContact C-N 3.35Å; E471-A473 PolarHBondContact O-N 2.58Å; E471-A474 PolarHBondContact O-N 2.79Å; E471-K475 PolarHBondContact O-N 3.36Å; E471-H494 HydrophobicContact CG-CB 4.26Å; E471-H494 VanDerWaalsContact CG-CD2 3.49Å; E471-H494 WeakPolarHBondContact CG-CD2 3.43Å; E471-H494 VanDerWaalsContact CG-CE1 3.45Å; E471-H494 WeakPolarHBondContact CG-CE1 3.5Å; E471-H494 VanDerWaalsContact CG-CG 3.5Å; E471-H494 WeakPolarHBondContact CG-ND1 3.41Å; E471-H494 WeakPolarHBondContact CG-NE2 3.36Å; E471-H494 PolarHBondContact N-CD2 2.99Å; E471-H494 IonicContact OE1-ND1 3.67Å
472K93.7Very high86.2Confident102 Ų10258.1 Ų58.144%0.44330%0.298SS..Hα-helixtrans-60.7-43.9176.4-73.3167.9-178.2163.50111E468 K475 I476 L524E468-K472 WeakPolarHBondContact O-CB 3.33Å; E468-K472 VanDerWaalsContact O-CG 3.24Å; E468-K472 WeakPolarHBondContact O-CG 3.37Å; E468-K472 PolarHBondContact O-N 2.73Å; E468-K472 IonicContact OE2-NZ 3.75Å; E468-K472 PolarHBondContact OE2-NZ 3.33Å; K472-K475 PolarHBondContact O-N 3.32Å; K472-I476 VanDerWaalsContact O-CG1 3.27Å; K472-I476 WeakPolarHBondContact O-CG1 3.45Å; K472-I476 PolarHBondContact O-N 3.07Å; K472-L524 HydrophobicContact CB-CD1 4.23Å; K472-L524 HydrophobicContact CB-CD2 4.3Å
473A95.1Very high88.4Confident1 Ų149.8 Ų49.81%0.00826%0.259CS..Hα-helixtrans-61.7-48.9178.100000111.9I452 I469 N470 E471 K475 I476 I477 V520 L524I452-A473 HydrophobicContact CD1-CB 3.56Å; I469-A473 VanDerWaalsContact O-CB 3.24Å; I469-A473 WeakPolarHBondContact O-CB 3.32Å; I469-A473 PolarHBondContact O-N 3.12Å; N470-A473 PolarHBondContact O-N 3.09Å; E471-A473 VanDerWaalsContact C-N 3.35Å; E471-A473 PolarHBondContact O-N 2.58Å; A473-K475 VanDerWaalsContact C-N 3.29Å; A473-K475 PolarHBondContact O-N 3Å; A473-I476 PolarHBondContact O-N 3.28Å; A473-I477 WeakPolarHBondContact O-CB 3.39Å; A473-I477 WeakPolarHBondContact O-CD1 3.47Å; A473-I477 WeakPolarHBondContact O-CG1 3.49Å; A473-I477 PolarHBondContact O-N 3.12Å; A473-V520 HydrophobicContact CB-CG1 4.16Å; A473-L524 HydrophobicContact CB-CD1 3.73Å
474A95.4Very high90.3Very high8 Ų849.4 Ų49.47%0.06626%0.255CS..Hα-helixtrans-56.8-44.8177.400000111.6N470 E471 N478 F485 A487 L496N470-A474 WeakPolarHBondContact O-CB 3.44Å; N470-A474 PolarHBondContact O-N 3.44Å; E471-A474 PolarHBondContact O-N 2.79Å; A474-N478 WeakPolarHBondContact O-CB 3.41Å; A474-N478 PolarHBondContact O-N 3.35Å; A474-F485 HydrophobicContact CB-CE2 4.33Å; A474-F485 HydrophobicContact CB-CZ 4.22Å; A474-A487 HydrophobicContact CB-CB 4.15Å; A474-L496 HydrophobicContact CB-CD2 3.87Å
475K95.2Very high92.1Very high126 Ų12644.7 Ų44.755%0.54823%0.225SC..Hα-helixtrans-61.7-52.9177.7-172.8-179.2-177.2-7.80112.2E471 K472 A473 I477 N478 D479E471-K475 PolarHBondContact O-N 3.36Å; K472-K475 PolarHBondContact O-N 3.32Å; A473-K475 VanDerWaalsContact C-N 3.29Å; A473-K475 PolarHBondContact O-N 3Å; K475-I477 VanDerWaalsContact C-N 3.32Å; K475-I477 PolarHBondContact O-N 3.03Å; K475-N478 PolarHBondContact O-N 3.27Å; K475-D479 IonicContact NZ-OD1 3.44Å; K475-D479 PolarHBondContact NZ-OD1 3.11Å; K475-D479 IonicContact NZ-OD2 2.61Å; K475-D479 PolarHBondContact NZ-OD2 3.48Å; K475-D479 VanDerWaalsContact O-CB 3.3Å; K475-D479 WeakPolarHBondContact O-CB 3.47Å; K475-D479 PolarHBondContact O-N 3.24Å
476I96.5Very high93.5Very high69 Ų6943.6 Ų43.635%0.35421%0.211SC..Hα-helixtrans-59.5-44.3-177.3-69.1166.1000111K472 A473 K480 V520 L524K472-I476 VanDerWaalsContact O-CG1 3.27Å; K472-I476 WeakPolarHBondContact O-CG1 3.45Å; K472-I476 PolarHBondContact O-N 3.07Å; A473-I476 PolarHBondContact O-N 3.28Å; I476-K480 PolarHBondContact O-N 3.16Å; I476-K480 VanDerWaalsContact O-N 3.15Å; I476-V520 HydrophobicContact CB-CG1 4.06Å; I476-V520 HydrophobicContact CD1-CG1 4.31Å; I476-V520 HydrophobicContact CG2-CG1 3.93Å; I476-V520 HydrophobicContact CG2-CG2 3.82Å; I476-L524 HydrophobicContact CD1-CD1 4.39Å; I476-L524 HydrophobicContact CD1-CD2 3.93Å; I476-L524 HydrophobicContact CD1-CG 4.42Å
477I96.6Very high94.3Very high5 Ų545.1 Ų45.13%0.02622%0.224CC..Hα-helixtrans-68.4-46.6-177.1-62.7162.4000111.1A473 K475 K480 G481 I483 F485 I517 V520A473-I477 WeakPolarHBondContact O-CB 3.39Å; A473-I477 WeakPolarHBondContact O-CD1 3.47Å; A473-I477 WeakPolarHBondContact O-CG1 3.49Å; A473-I477 PolarHBondContact O-N 3.12Å; K475-I477 VanDerWaalsContact C-N 3.32Å; K475-I477 PolarHBondContact O-N 3.03Å; I477-K480 WeakPolarHBondContact O-CB 3.34Å; I477-K480 PolarHBondContact O-N 3.46Å; I477-G481 PolarHBondContact O-N 3.43Å; I477-G481 VanDerWaalsContact O-N 3.16Å; I477-I483 HydrophobicContact CG2-CD1 3.68Å; I477-I483 HydrophobicContact CG2-CG1 3.45Å; I477-I483 VanDerWaalsContact CG2-CG1 3.45Å; I477-F485 HydrophobicContact CB-CE1 3.83Å; I477-F485 HydrophobicContact CD1-CE1 3.83Å; I477-F485 HydrophobicContact CD1-CZ 4.01Å; I477-F485 HydrophobicContact CG1-CE1 4.45Å; I477-F485 HydrophobicContact CG2-CD1 4.21Å; I477-F485 HydrophobicContact CG2-CE1 3.61Å; I477-I517 HydrophobicContact CD1-CB 4.44Å; I477-I517 HydrophobicContact CD1-CG1 4.02Å; I477-V520 HydrophobicContact CD1-CB 4.2Å; I477-V520 HydrophobicContact CD1-CG1 4.34Å; I477-V520 HydrophobicContact CD1-CG2 4.46Å; I477-V520 HydrophobicContact CG1-CB 3.92Å; I477-V520 HydrophobicContact CG1-CG1 4.07Å; I477-V520 HydrophobicContact CG1-CG2 3.67Å
478N96.5Very high94.3Very high26 Ų2644.7 Ų44.714%0.13922%0.222CC..Hα-helixtrans-67.8-37.8179.8-74.2-19000112A474 K475 K480 G481 Y484 F485A474-N478 WeakPolarHBondContact O-CB 3.41Å; A474-N478 PolarHBondContact O-N 3.35Å; K475-N478 PolarHBondContact O-N 3.27Å; N478-K480 VanDerWaalsContact C-N 3.32Å; N478-K480 PolarHBondContact O-N 3.37Å; N478-G481 WeakPolarHBondContact O-CA 3.09Å; N478-G481 PolarHBondContact O-N 3.37Å; N478-G481 VanDerWaalsContact O-N 3.11Å; N478-Y484 HydrophobicContact CB-CD2 4.12Å; N478-Y484 HydrophobicContact CB-CE2 4.34Å; N478-Y484 WeakPolarHBondContact OD1-CD2 3.39Å; N478-F485 PolarHBondContact ND2-O 3.21Å; N478-F485 PolarHBondContact OD1-N 3.37Å; N478-F485 VanDerWaalsContact OD1-N 3.16Å; N478-F485 PolarHBondContact OD1-O 2.68Å
479D95.1Very high94.1Very high100 Ų10041.2 Ų41.254%0.53521%0.208SC..Hα-helixtrans-61.9-39.4175.6-75.1-9.8000111.9R28 K475 G481R28-D479 PolarHBondContact NH2-O 2.78Å; K475-D479 IonicContact NZ-OD1 3.44Å; K475-D479 PolarHBondContact NZ-OD1 3.11Å; K475-D479 IonicContact NZ-OD2 2.61Å; K475-D479 PolarHBondContact NZ-OD2 3.48Å; K475-D479 VanDerWaalsContact O-CB 3.3Å; K475-D479 WeakPolarHBondContact O-CB 3.47Å; K475-D479 PolarHBondContact O-N 3.24Å; D479-G481 VanDerWaalsContact C-N 3.3Å; D479-G481 PolarHBondContact O-N 3.38Å
480K95.3Very high93.6Very high107 Ų10740.2 Ų40.247%0.46520%0.203SC..Hα-helixtrans-60.6-42.9173.7-167.1-174.7-171.7-1430110.9R28 I476 I477 N478 D482R28-K480 PolarHBondContact NH2-O 3.43Å; R28-K480 VanDerWaalsContact NH2-O 3.08Å; I476-K480 PolarHBondContact O-N 3.16Å; I476-K480 VanDerWaalsContact O-N 3.15Å; I477-K480 WeakPolarHBondContact O-CB 3.34Å; I477-K480 PolarHBondContact O-N 3.46Å; N478-K480 VanDerWaalsContact C-N 3.32Å; N478-K480 PolarHBondContact O-N 3.37Å; K480-D482 WeakPolarHBondContact CD-OD2 3.3Å; K480-D482 WeakPolarHBondContact CE-OD2 3.3Å; K480-D482 IonicContact NZ-OD2 2.7Å; K480-D482 PolarHBondContact NZ-OD2 3.35Å; K480-D482 PolarHBondContact O-N 3.02Å
481G95Very high92.7Very high1 Ų143.2 Ų43.21%0.0122%0.217CC..  trans67.128.4170.400000115.9P29 I477 N478 D479P29-G481 WeakPolarHBondContact CD-O 3.45Å; I477-G481 PolarHBondContact O-N 3.43Å; I477-G481 VanDerWaalsContact O-N 3.16Å; N478-G481 WeakPolarHBondContact O-CA 3.09Å; N478-G481 PolarHBondContact O-N 3.37Å; N478-G481 VanDerWaalsContact O-N 3.11Å; D479-G481 VanDerWaalsContact C-N 3.3Å; D479-G481 PolarHBondContact O-N 3.38Å
482D96.6Very high92Very high59 Ų5944.1 Ų44.132%0.31623%0.225SC..SBendtrans-77.9-26.7164.3-66-36000111.9R75 K480 F512R75-D482 WeakPolarHBondContact CD-O 3.45Å; K480-D482 WeakPolarHBondContact CD-OD2 3.3Å; K480-D482 WeakPolarHBondContact CE-OD2 3.3Å; K480-D482 IonicContact NZ-OD2 2.7Å; K480-D482 PolarHBondContact NZ-OD2 3.35Å; K480-D482 PolarHBondContact O-N 3.02Å; D482-F512 HydrophobicContact CB-CE1 3.77Å; D482-F512 HydrophobicContact CB-CZ 3.91Å
483I97.7Very high91.5Very high1 Ų141 Ų411%0.00521%0.213CC..SBendtrans-135.6161.1171.670172.7000108.4R75 F77 I477 F485 F512 A513 Q516 I517R75-I483 HydrophobicContact CB-CB 4.38Å; R75-I483 HydrophobicContact CB-CG2 3.97Å; R75-I483 HydrophobicContact CG-CG2 4.44Å; F77-I483 HydrophobicContact CE2-CB 4.4Å; F77-I483 HydrophobicContact CE2-CG2 4.42Å; I477-I483 HydrophobicContact CG2-CD1 3.68Å; I477-I483 HydrophobicContact CG2-CG1 3.45Å; I477-I483 VanDerWaalsContact CG2-CG1 3.45Å; I483-F485 HydrophobicContact CD1-CD1 4.29Å; I483-F512 HydrophobicContact CG2-CD1 3.89Å; I483-F512 HydrophobicContact CG2-CE1 3.87Å; I483-A513 HydrophobicContact CD1-CB 3.93Å; I483-A513 HydrophobicContact CG2-CB 3.97Å; I483-Q516 HydrophobicContact CD1-CB 4.24Å; I483-I517 HydrophobicContact CD1-CD1 4.35Å; I483-I517 HydrophobicContact CD1-CG1 4.18Å
484Y97.5Very high91.2Very high27 Ų2742.1 Ų42.111%0.10622%0.218CC..EExtended strand (participates in β ladder)trans-137.4129.2172.9-178.3-120.1000110.8Q30 R75 F76 F77 A78 Y79 N478Q30-Y484 HydrophobicContact CB-CD1 4.38Å; Q30-Y484 HydrophobicContact CB-CD2 4.03Å; Q30-Y484 HydrophobicContact CB-CG 3.94Å; Q30-Y484 HydrophobicContact CG-CD2 4.16Å; Q30-Y484 HydrophobicContact CG-CE2 4.18Å; Q30-Y484 HydrophobicContact CG-CG 4.36Å; R75-Y484 PolarHBondContact O-N 3.1Å; R75-Y484 VanDerWaalsContact O-N 3.12Å; F76-Y484 AromaticContact CD2-CD1 3.78Å; F76-Y484 HydrophobicContact CD2-CD1 3.78Å; F76-Y484 AromaticContact CE2-CD1 3.47Å; F76-Y484 HydrophobicContact CE2-CD1 3.47Å; F76-Y484 VanDerWaalsContact CE2-CD1 3.47Å; F76-Y484 AromaticContact CE2-CE1 3.86Å; F76-Y484 HydrophobicContact CE2-CE1 3.86Å; F76-Y484 HydrophobicContact CZ-CD1 4.18Å; F76-Y484 HydrophobicContact CZ-CE1 4.32Å; F77-Y484 CarbonylContact C-O 3.53Å; F77-Y484 WeakPolarHBondContact CA-O 3.48Å; F77-Y484 PolarHBondContact N-O 3.26Å; A78-Y484 HydrophobicContact CB-CD1 3.4Å; A78-Y484 HydrophobicContact CB-CE1 3.27Å; A78-Y484 HydrophobicContact CB-CG 4.32Å; A78-Y484 PolarHBondContact N-O 3.22Å; Y79-Y484 HydrophobicContact CE2-CE1 4.28Å; N478-Y484 HydrophobicContact CB-CD2 4.12Å; N478-Y484 HydrophobicContact CB-CE2 4.34Å; N478-Y484 WeakPolarHBondContact OD1-CD2 3.39Å
485F95.9Very high91Very high1 Ų141.7 Ų41.70%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-144.3165.117871.6-86.3000111.3F77 A474 I477 N478 I483 L496F77-F485 HydrophobicContact CB-CB 4.14Å; A474-F485 HydrophobicContact CB-CE2 4.33Å; A474-F485 HydrophobicContact CB-CZ 4.22Å; I477-F485 HydrophobicContact CB-CE1 3.83Å; I477-F485 HydrophobicContact CD1-CE1 3.83Å; I477-F485 HydrophobicContact CD1-CZ 4.01Å; I477-F485 HydrophobicContact CG1-CE1 4.45Å; I477-F485 HydrophobicContact CG2-CD1 4.21Å; I477-F485 HydrophobicContact CG2-CE1 3.61Å; N478-F485 PolarHBondContact ND2-O 3.21Å; N478-F485 PolarHBondContact OD1-N 3.37Å; N478-F485 VanDerWaalsContact OD1-N 3.16Å; N478-F485 PolarHBondContact OD1-O 2.68Å; I483-F485 HydrophobicContact CD1-CD1 4.29Å; F485-L496 HydrophobicContact CD2-CB 4.47Å; F485-L496 HydrophobicContact CE2-CB 3.8Å; F485-L496 HydrophobicContact CE2-CD1 4.46Å; F485-L496 HydrophobicContact CE2-CD2 3.7Å; F485-L496 HydrophobicContact CE2-CG 4.17Å; F485-L496 HydrophobicContact CZ-CD1 4.48Å; F485-L496 HydrophobicContact CZ-CD2 4.08Å
486S93.2Very high91Very high14 Ų1435.7 Ų35.710%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-94.7151.6-179-59.70000111.6A78 Y79 R497A78-S486 WeakPolarHBondContact CA-OG 3.44Å; A78-S486 WeakPolarHBondContact CB-OG 3.33Å; Y79-S486 PolarHBondContact N-OG 3.45Å; S486-R497 PolarHBondContact N-O 3Å; S486-R497 WeakPolarHBondContact O-CA 3.38Å; S486-R497 WeakPolarHBondContact O-CB 3.3Å; S486-R497 PolarHBondContact O-N 3.18Å
487A91.4Very high90.9Very high38 Ų3832.6 Ų32.631%0.31417%0.173SC..EExtended strand (participates in β ladder)trans-112.3149.8161.100000109.7A474 H494 V495A474-A487 HydrophobicContact CB-CB 4.15Å; A487-H494 VanDerWaalsContact CB-NE2 3.28Å; A487-H494 WeakPolarHBondContact CB-NE2 3.48Å; A487-V495 CarbonylContact C-O 3.53Å; A487-V495 VanDerWaalsContact CA-O 3.25Å; A487-V495 WeakPolarHBondContact CA-O 3.44Å
488V87.9Confident91Very high27 Ų2732.4 Ų32.416%0.16417%0.172CC..EExtended strand (participates in β ladder)trans-137.7154.7-179.2-61.80000109.9A252 L490 V495 R497A252-V488 HydrophobicContact CB-CB 4.27Å; A252-V488 HydrophobicContact CB-CG1 4.35Å; A252-V488 HydrophobicContact CB-CG2 4.35Å; V488-L490 HydrophobicContact CG2-CD2 4.16Å; V488-L490 HydrophobicContact CG2-CG 4.14Å; V488-V495 HydrophobicContact CG2-CB 4.02Å; V488-V495 HydrophobicContact CG2-CG1 4.3Å; V488-V495 PolarHBondContact N-O 3.36Å; V488-V495 PolarHBondContact O-N 3.15Å; V488-R497 HydrophobicContact CG2-CB 4.43Å
489T84Confident91Very high34 Ų3431.1 Ų31.121%0.20917%0.165CC..EExtended strand (participates in β ladder)trans-103.8123.6172.6-57.80000109.4L493T489-L493 CarbonylContact C-O 3.17Å; T489-L493 WeakPolarHBondContact CA-O 3.46Å
490L80.7Confident91.1Very high1 Ų126.4 Ų26.41%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-118.9100179.2-58.1-176.4000109.9A252 C253 Q441 V488 L493 V495A252-L490 HydrophobicContact CB-CD2 3.56Å; C253-L490 HydrophobicContact CB-CD1 3.87Å; C253-L490 HydrophobicContact CB-CD2 4.26Å; Q441-L490 HydrophobicContact CG-CD1 4.16Å; V488-L490 HydrophobicContact CG2-CD2 4.16Å; V488-L490 HydrophobicContact CG2-CG 4.14Å; L490-L493 PolarHBondContact N-O 2.9Å; L490-L493 WeakPolarHBondContact O-CB 3.17Å; L490-L493 PolarHBondContact O-N 3.44Å; L490-L493 VanDerWaalsContact O-N 3.15Å; L490-V495 HydrophobicContact CB-CG2 4.32Å; L490-V495 HydrophobicContact CD1-CB 4.43Å; L490-V495 HydrophobicContact CD1-CG1 4.41Å; L490-V495 HydrophobicContact CD1-CG2 3.94Å; L490-V495 HydrophobicContact CG-CG2 4.06Å
491H76Confident90.8Very high63 Ų6321.7 Ų21.729%0.29212%0.12SC..THydrogen-bonded Turntrans45.764.6-173.9-59.5-159.4000110.7R220 L493R220-H491 VanDerWaalsContact CD-NE2 3.26Å; R220-H491 WeakPolarHBondContact CD-NE2 3.21Å; R220-H491 PolarHBondContact NE-CD2 3.2Å; R220-H491 PolarHBondContact NE-NE2 3.47Å; R220-H491 PolarHBondContact NH1-CE1 2.94Å; R220-H491 PolarHBondContact NH1-ND1 2.95Å; R220-H491 VanDerWaalsContact NH2-CG 3.29Å; R220-H491 PolarHBondContact NH2-ND1 2.91Å; H491-L493 PolarHBondContact O-N 2.96Å
492D77Confident90.7Very high117 Ų11722.1 Ų22.163%0.62612%0.123SC*.THydrogen-bonded Turntrans65.71.4-179.5-48.4-42.6000116.7N467N467-D492 PolarHBondContact ND2-O 2.61Å
493L83.2Confident90.6Very high36 Ų3621.3 Ų21.319%0.18812%0.12CC..EExtended strand (participates in β ladder)trans-93.1119.7173.8-56.1-178000111T489 L490 H491 V495T489-L493 CarbonylContact C-O 3.17Å; T489-L493 WeakPolarHBondContact CA-O 3.46Å; L490-L493 PolarHBondContact N-O 2.9Å; L490-L493 WeakPolarHBondContact O-CB 3.17Å; L490-L493 PolarHBondContact O-N 3.44Å; L490-L493 VanDerWaalsContact O-N 3.15Å; H491-L493 PolarHBondContact O-N 2.96Å; L493-V495 HydrophobicContact CB-CG2 4.3Å; L493-V495 WeakPolarHBondContact O-CG2 3.34Å; L493-V495 PolarHBondContact O-N 3.49Å
494H88.1Confident90.5Very high24 Ų2423.6 Ų23.611%0.11113%0.132CC..EExtended strand (participates in β ladder)trans-77.4115.9172-164.185.6000110.5R451 N467 E471 A487R451-H494 WeakPolarHBondContact CD-O 3.29Å; R451-H494 WeakPolarHBondContact CG-O 3.44Å; R451-H494 PolarHBondContact NE-O 2.75Å; N467-H494 HydrophobicContact CB-CB 4.04Å; N467-H494 PolarHBondContact OD1-N 2.67Å; E471-H494 HydrophobicContact CG-CB 4.26Å; E471-H494 VanDerWaalsContact CG-CD2 3.49Å; E471-H494 WeakPolarHBondContact CG-CD2 3.43Å; E471-H494 VanDerWaalsContact CG-CE1 3.45Å; E471-H494 WeakPolarHBondContact CG-CE1 3.5Å; E471-H494 VanDerWaalsContact CG-CG 3.5Å; E471-H494 WeakPolarHBondContact CG-ND1 3.41Å; E471-H494 WeakPolarHBondContact CG-NE2 3.36Å; E471-H494 PolarHBondContact N-CD2 2.99Å; E471-H494 IonicContact OE1-ND1 3.67Å; A487-H494 VanDerWaalsContact CB-NE2 3.28Å; A487-H494 WeakPolarHBondContact CB-NE2 3.48Å
495V90.7Very high90.5Very high0 Ų022.3 Ų22.30%013%0.127CC..EExtended strand (participates in β ladder)trans-120133-168.3174.60000110.4V440 C449 R451 A487 V488 L490 L493V440-V495 HydrophobicContact CB-CG2 4.44Å; V440-V495 HydrophobicContact CG1-CG2 4.09Å; V440-V495 HydrophobicContact CG2-CG2 4.3Å; C449-V495 HydrophobicContact CB-CG1 3.76Å; R451-V495 HydrophobicContact CG-CB 4.33Å; R451-V495 HydrophobicContact CG-CG2 4.08Å; A487-V495 CarbonylContact C-O 3.53Å; A487-V495 VanDerWaalsContact CA-O 3.25Å; A487-V495 WeakPolarHBondContact CA-O 3.44Å; V488-V495 HydrophobicContact CG2-CB 4.02Å; V488-V495 HydrophobicContact CG2-CG1 4.3Å; V488-V495 PolarHBondContact N-O 3.36Å; V488-V495 PolarHBondContact O-N 3.15Å; L490-V495 HydrophobicContact CB-CG2 4.32Å; L490-V495 HydrophobicContact CD1-CB 4.43Å; L490-V495 HydrophobicContact CD1-CG1 4.41Å; L490-V495 HydrophobicContact CD1-CG2 3.94Å; L490-V495 HydrophobicContact CG-CG2 4.06Å; L493-V495 HydrophobicContact CB-CG2 4.3Å; L493-V495 WeakPolarHBondContact O-CG2 3.34Å; L493-V495 PolarHBondContact O-N 3.49Å
496L95.2Very high90.6Very high0 Ų026.6 Ų26.60%015%0.147CC..EExtended strand (participates in β ladder)trans-80.6133.5169.3-49.6180000108.8C449 F450 N470 A474 F485C449-L496 WeakPolarHBondContact CA-O 3.37Å; F450-L496 HydrophobicContact CD1-CB 4.22Å; F450-L496 WeakPolarHBondContact CD1-O 3.27Å; F450-L496 HydrophobicContact CD2-CB 4.28Å; F450-L496 HydrophobicContact CD2-CD1 4.32Å; F450-L496 HydrophobicContact CE1-CB 3.78Å; F450-L496 HydrophobicContact CE2-CB 3.87Å; F450-L496 HydrophobicContact CE2-CD1 3.63Å; F450-L496 HydrophobicContact CE2-CG 4.35Å; F450-L496 HydrophobicContact CG-CB 4.44Å; F450-L496 HydrophobicContact CZ-CB 3.59Å; F450-L496 HydrophobicContact CZ-CD1 3.98Å; F450-L496 HydrophobicContact CZ-CG 4.44Å; F450-L496 PolarHBondContact N-O 2.63Å; F450-L496 WeakPolarHBondContact O-CA 3.36Å; F450-L496 WeakPolarHBondContact O-CB 3.21Å; F450-L496 PolarHBondContact O-N 3.11Å; F450-L496 VanDerWaalsContact O-O 3.13Å; N470-L496 HydrophobicContact CB-CD2 4.21Å; N470-L496 HydrophobicContact CB-CG 4.46Å; N470-L496 WeakPolarHBondContact O-CD2 3.47Å; A474-L496 HydrophobicContact CB-CD2 3.87Å; F485-L496 HydrophobicContact CD2-CB 4.47Å; F485-L496 HydrophobicContact CE2-CB 3.8Å; F485-L496 HydrophobicContact CE2-CD1 4.46Å; F485-L496 HydrophobicContact CE2-CD2 3.7Å; F485-L496 HydrophobicContact CE2-CG 4.17Å; F485-L496 HydrophobicContact CZ-CD1 4.48Å; F485-L496 HydrophobicContact CZ-CD2 4.08Å
497R95.7Very high90.8Very high3 Ų331.4 Ų31.41%0.01117%0.166CC..EExtended strand (participates in β ladder)trans-127.4110.1-174.5-177.2-171.1165.7-75.9-0.2110.1Y79 T251 A252 V447 V448 S486 V488Y79-R497 VanDerWaalsContact C-NH1 3.34Å; Y79-R497 VanDerWaalsContact C-NH2 3.31Å; Y79-R497 PolarHBondContact O-NH1 2.96Å; Y79-R497 PolarHBondContact O-NH2 3.33Å; T251-R497 PolarHBondContact O-NE 3.47Å; T251-R497 VanDerWaalsContact O-NE 3.09Å; T251-R497 PolarHBondContact O-NH2 3.24Å; A252-R497 WeakPolarHBondContact O-CD 3.12Å; A252-R497 PolarHBondContact O-NE 3.24Å; V447-R497 HydrophobicContact CG1-CG 4.07Å; V448-R497 WeakPolarHBondContact O-CA 3.48Å; S486-R497 PolarHBondContact N-O 3Å; S486-R497 WeakPolarHBondContact O-CA 3.38Å; S486-R497 WeakPolarHBondContact O-CB 3.3Å; S486-R497 PolarHBondContact O-N 3.18Å; V488-R497 HydrophobicContact CG2-CB 4.43Å
498L97.5Very high91.2Very high1 Ų133.3 Ų33.31%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-103.7116.5175.2-169.3154.5000109F77 F427 V448 F450 I500 I517F77-L498 HydrophobicContact CB-CD2 4.23Å; F77-L498 HydrophobicContact CB-CG 3.76Å; F77-L498 HydrophobicContact CD1-CD2 3.8Å; F77-L498 HydrophobicContact CD1-CG 4.11Å; F77-L498 HydrophobicContact CD2-CD1 4.36Å; F77-L498 HydrophobicContact CD2-CG 4.42Å; F77-L498 HydrophobicContact CE1-CD2 4.38Å; F77-L498 HydrophobicContact CG-CD1 4.26Å; F77-L498 HydrophobicContact CG-CD2 4.09Å; F77-L498 HydrophobicContact CG-CG 3.86Å; F427-L498 HydrophobicContact CD1-CB 4.34Å; F427-L498 HydrophobicContact CD1-CD1 4.17Å; F427-L498 HydrophobicContact CD1-CD2 4.2Å; F427-L498 HydrophobicContact CD1-CG 4.45Å; F427-L498 HydrophobicContact CD2-CD1 3.97Å; F427-L498 HydrophobicContact CE1-CB 3.91Å; F427-L498 HydrophobicContact CE1-CD1 3.86Å; F427-L498 HydrophobicContact CE1-CG 4.29Å; F427-L498 HydrophobicContact CE2-CD1 3.63Å; F427-L498 HydrophobicContact CG-CD1 4.24Å; F427-L498 HydrophobicContact CG-CD2 4.35Å; F427-L498 HydrophobicContact CZ-CB 4.33Å; F427-L498 HydrophobicContact CZ-CD1 3.59Å; F427-L498 HydrophobicContact CZ-CG 4.48Å; V448-L498 PolarHBondContact N-O 3.46Å; V448-L498 PolarHBondContact O-N 3.17Å; F450-L498 HydrophobicContact CE1-CB 3.96Å; L498-I500 HydrophobicContact CD2-CD1 3.7Å; L498-I500 HydrophobicContact CD2-CG1 4.42Å; L498-I517 HydrophobicContact CD1-CD1 4.28Å
499C97.4Very high91.7Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-109.9126.2173.3-175.10000109.6F77 Y79 P81 G446 V447 S501F77-C499 CarbonylContact C-O 3.6Å; F77-C499 WeakPolarHBondContact CA-O 3.27Å; F77-C499 WeakPolarHBondContact CB-O 3.41Å; F77-C499 PolarHBondContact O-N 3.23Å; Y79-C499 WeakPolarHBondContact O-CB 3.42Å; P81-C499 VanDerWaalsContact CD-SG 3.6Å; G446-C499 CarbonylContact O-C 3.54Å; G446-C499 VanDerWaalsContact O-CA 3.29Å; G446-C499 WeakPolarHBondContact O-CA 3.48Å; V447-C499 HydrophobicContact CG2-CB 4.41Å; C499-S501 PolarHBondContact O-N 3Å; C499-S501 VanDerWaalsContact O-N 3.11Å; C499-S501 PolarHBondContact O-OG 3.42Å
500I97.4Very high92.4Very high0 Ų031.1 Ų31.10%016%0.163CC..  trans-70.4109.6172.4-56.1-62.3000108F77 P81 M420 L423 A424 G446 L498 T505 V510F77-I500 HydrophobicContact CD1-CD1 4.14Å; F77-I500 HydrophobicContact CE1-CD1 3.96Å; P81-I500 WeakPolarHBondContact CG-O 2.94Å; M420-I500 HydrophobicContact CB-CG2 4.32Å; M420-I500 HydrophobicContact CG-CB 3.77Å; M420-I500 HydrophobicContact CG-CG2 3.82Å; M420-I500 WeakPolarHBondContact CG-O 3.23Å; L423-I500 HydrophobicContact CB-CD1 4.09Å; L423-I500 HydrophobicContact CB-CG1 3.99Å; L423-I500 HydrophobicContact CB-CG2 4.23Å; L423-I500 HydrophobicContact CD1-CG2 4.15Å; A424-I500 HydrophobicContact CB-CG1 3.92Å; G446-I500 PolarHBondContact O-N 3.42Å; L498-I500 HydrophobicContact CD2-CD1 3.7Å; L498-I500 HydrophobicContact CD2-CG1 4.42Å; I500-T505 HydrophobicContact CD1-CG2 4.47Å; I500-T505 HydrophobicContact CG2-CG2 4.29Å; I500-V510 HydrophobicContact CD1-CG2 3.99Å
501S88.6Confident93.2Very high9 Ų934 Ų346%0.06318%0.178CC..  trans-110.8-29.8-168.1-66.50000115.3F76 P81 C499F76-S501 WeakPolarHBondContact O-CB 3.21Å; P81-S501 WeakPolarHBondContact CB-O 3.33Å; C499-S501 PolarHBondContact O-N 3Å; C499-S501 VanDerWaalsContact O-N 3.11Å; C499-S501 PolarHBondContact O-OG 3.42Å
502S94Very high94.3Very high9 Ų934 Ų346%0.06318%0.177CC..  trans-98.8142.5-175.8179.90000112.3H72 H73 M504 T505H72-S502 VanDerWaalsContact O-CB 3.29Å; H72-S502 WeakPolarHBondContact O-CB 3.39Å; H72-S502 PolarHBondContact O-OG 3.43Å; H73-S502 WeakPolarHBondContact O-CB 3.43Å; S502-M504 PolarHBondContact O-N 2.74Å; S502-M504 WeakPolarHBondContact OG-CB 3.4Å; S502-M504 PolarHBondContact OG-N 2.92Å; S502-T505 PolarHBondContact O-N 2.92Å; S502-T505 PolarHBondContact O-OG1 3.28Å
503T93.7Very high95.3Very high42 Ų4228.4 Ų28.426%0.25815%0.148SC..THydrogen-bonded Turntrans-65.4-22.516858.80000111.9M311 N416 K419M311-T503 HydrophobicContact CG-CG2 4.21Å; N416-T503 WeakPolarHBondContact OD1-CG2 3.48Å; K419-T503 PolarHBondContact NZ-O 3.24Å
504M95.6Very high96Very high50 Ų5027.5 Ų27.525%0.24614%0.142CC..THydrogen-bonded Turntrans-82.6-13.9178.1-55.7-178.372.400113.7W21 L24 P25 P74 S502 E506W21-M504 HydrophobicContact CE3-CG 4.47Å; W21-M504 HydrophobicContact CE3-SD 3.78Å; W21-M504 HydrophobicContact CZ3-CG 4.3Å; W21-M504 HydrophobicContact CZ3-SD 4.06Å; W21-M504 VanDerWaalsContact O-CE 3.3Å; W21-M504 WeakPolarHBondContact O-CE 3.27Å; L24-M504 HydrophobicContact CB-SD 4.36Å; L24-M504 HydrophobicContact CD2-SD 4.14Å; P25-M504 HydrophobicContact CG-CE 4.01Å; P74-M504 HydrophobicContact CB-CB 4.27Å; S502-M504 PolarHBondContact O-N 2.74Å; S502-M504 WeakPolarHBondContact OG-CB 3.4Å; S502-M504 PolarHBondContact OG-N 2.92Å; M504-E506 PolarHBondContact O-N 3.04Å
505T97.5Very high96.5Very high0 Ų030.7 Ų30.70%016%0.157CC..  trans-61.9127.7-179.2-60.70000110P74 F77 K419 L423 I500 S502 D509 V510P74-T505 WeakPolarHBondContact O-CG2 3.38Å; P74-T505 PolarHBondContact O-OG1 2.95Å; F77-T505 HydrophobicContact CE1-CG2 4Å; K419-T505 WeakPolarHBondContact CE-O 3.27Å; K419-T505 PolarHBondContact NZ-O 3.41Å; L423-T505 HydrophobicContact CD1-CG2 4.06Å; L423-T505 WeakPolarHBondContact CD1-O 3.21Å; I500-T505 HydrophobicContact CD1-CG2 4.47Å; I500-T505 HydrophobicContact CG2-CG2 4.29Å; S502-T505 PolarHBondContact O-N 2.92Å; S502-T505 PolarHBondContact O-OG1 3.28Å; T505-D509 HydrophobicContact CG2-CB 4.23Å; T505-V510 HydrophobicContact CG2-CG2 4.09Å
506E97.9Very high96.9Very high91 Ų9131.9 Ų31.943%0.42516%0.162SC..  trans-114.5170.7172.6-65.3-57.2155.700111.9K419 M504 S508 D509 V510K419-E506 WeakPolarHBondContact CE-OE1 3.37Å; K419-E506 IonicContact NZ-OE1 3.38Å; K419-E506 PolarHBondContact NZ-OE1 2.92Å; K419-E506 IonicContact NZ-OE2 2.81Å; M504-E506 PolarHBondContact O-N 3.04Å; E506-S508 PolarHBondContact O-N 3.05Å; E506-D509 PolarHBondContact N-OD2 2.91Å; E506-D509 VanDerWaalsContact N-OD2 3.11Å; E506-D509 WeakPolarHBondContact O-CB 3.45Å; E506-D509 PolarHBondContact O-N 3.45Å; E506-V510 PolarHBondContact O-N 3.03Å
507K98.1Very high97Very high114 Ų11431.9 Ų31.950%0.49616%0.162SC..Hα-helixtrans-55.2-34176.9-167.6179.2-177.5178.80112.7L423 Y426 D509 V510 N511L423-K507 HydrophobicContact CD2-CB 4.32Å; Y426-K507 HydrophobicContact CD1-CG 3.81Å; Y426-K507 HydrophobicContact CE1-CD 4.06Å; Y426-K507 VanDerWaalsContact CE1-CE 3.48Å; Y426-K507 HydrophobicContact CE1-CG 3.39Å; Y426-K507 VanDerWaalsContact CE2-CE 3.47Å; Y426-K507 WeakPolarHBondContact OH-CE 3.29Å; K507-D509 VanDerWaalsContact C-N 3.35Å; K507-V510 PolarHBondContact O-N 3.38Å; K507-N511 PolarHBondContact O-N 2.87Å; K507-N511 PolarHBondContact O-ND2 2.91Å
508S98.2Very high97Very high78 Ų7834.1 Ų34.155%0.54517%0.172SC..Hα-helixtrans-62.7-38.4175.444.40000112.9E506 N511 F512E506-S508 PolarHBondContact O-N 3.05Å; S508-N511 PolarHBondContact O-N 3.06Å; S508-F512 WeakPolarHBondContact O-CB 3.5Å; S508-F512 PolarHBondContact O-N 3.1Å
509D98.4Very high97Very high15 Ų1537.6 Ų37.68%0.0819%0.191CC..Hα-helixtrans-71-38.3178.2-62.2-64.3000111.6P74 R75 T505 E506 K507 F512 A513P74-D509 HydrophobicContact CB-CB 4.43Å; R75-D509 HydrophobicContact CG-CB 4.04Å; R75-D509 IonicContact CZ-OD1 3.86Å; R75-D509 IonicContact NE-OD1 3.1Å; R75-D509 PolarHBondContact NE-OD1 3.39Å; R75-D509 VanDerWaalsContact NE-OD1 3.1Å; R75-D509 IonicContact NH2-OD1 3.69Å; T505-D509 HydrophobicContact CG2-CB 4.23Å; E506-D509 PolarHBondContact N-OD2 2.91Å; E506-D509 VanDerWaalsContact N-OD2 3.11Å; E506-D509 WeakPolarHBondContact O-CB 3.45Å; E506-D509 PolarHBondContact O-N 3.45Å; K507-D509 VanDerWaalsContact C-N 3.35Å; D509-F512 PolarHBondContact O-N 3.37Å; D509-A513 WeakPolarHBondContact O-CB 3.34Å; D509-A513 PolarHBondContact O-N 2.72Å
510V98.6Very high96.9Very high1 Ų138.3 Ų38.31%0.00620%0.195CC..Hα-helixtrans-61.6-44.8172.7177.60000110.9L423 Y426 F427 L430 I500 T505 E506 K507 A513 W514L423-V510 HydrophobicContact CB-CG2 4.29Å; L423-V510 HydrophobicContact CD2-CG2 4.17Å; Y426-V510 HydrophobicContact CD1-CB 4.39Å; Y426-V510 HydrophobicContact CD1-CG1 3.91Å; Y426-V510 HydrophobicContact CE1-CG1 4.27Å; F427-V510 HydrophobicContact CB-CG1 3.69Å; F427-V510 HydrophobicContact CD2-CG1 3.94Å; F427-V510 HydrophobicContact CG-CG1 4.28Å; L430-V510 HydrophobicContact CD1-CG1 4.38Å; I500-V510 HydrophobicContact CD1-CG2 3.99Å; T505-V510 HydrophobicContact CG2-CG2 4.09Å; E506-V510 PolarHBondContact O-N 3.03Å; K507-V510 PolarHBondContact O-N 3.38Å; V510-A513 PolarHBondContact O-N 3.26Å; V510-W514 WeakPolarHBondContact O-CB 3.44Å; V510-W514 PolarHBondContact O-N 3.02Å
511N98.7Very high96.8Very high62 Ų6238.3 Ų38.333%0.33220%0.195SC..Hα-helixtrans-62.9-43.8176.2-76-30.3000112.3Y426 K507 S508 W514 Q515Y426-N511 WeakPolarHBondContact CE1-OD1 3.34Å; Y426-N511 PolarHBondContact OH-ND2 2.64Å; Y426-N511 PolarHBondContact OH-OD1 3.23Å; K507-N511 PolarHBondContact O-N 2.87Å; K507-N511 PolarHBondContact O-ND2 2.91Å; S508-N511 PolarHBondContact O-N 3.06Å; N511-W514 PolarHBondContact O-N 3.47Å; N511-Q515 PolarHBondContact O-N 3.24Å
512F98.5Very high97Very high61 Ų6140.4 Ų40.427%0.26821%0.206SC..Hα-helixtrans-59.9-48.1176178.6-86.3000110.9D482 I483 S508 D509 W514 Q515 Q516D482-F512 HydrophobicContact CB-CE1 3.77Å; D482-F512 HydrophobicContact CB-CZ 3.91Å; I483-F512 HydrophobicContact CG2-CD1 3.89Å; I483-F512 HydrophobicContact CG2-CE1 3.87Å; S508-F512 WeakPolarHBondContact O-CB 3.5Å; S508-F512 PolarHBondContact O-N 3.1Å; D509-F512 PolarHBondContact O-N 3.37Å; F512-W514 VanDerWaalsContact C-N 3.34Å; F512-W514 PolarHBondContact O-N 2.91Å; F512-Q515 PolarHBondContact O-N 2.95Å; F512-Q516 HydrophobicContact CD1-CG 4.19Å; F512-Q516 HydrophobicContact CE1-CG 3.73Å; F512-Q516 HydrophobicContact CZ-CG 4.08Å; F512-Q516 WeakPolarHBondContact O-CG 3.38Å; F512-Q516 PolarHBondContact O-N 3.44Å
513A98.4Very high96.9Very high0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-60.4-44.8178.400000111.9F77 I483 D509 V510 Q515 Q516 I517F77-A513 HydrophobicContact CD2-CB 4.44Å; F77-A513 HydrophobicContact CE2-CB 3.6Å; F77-A513 HydrophobicContact CZ-CB 4.05Å; I483-A513 HydrophobicContact CD1-CB 3.93Å; I483-A513 HydrophobicContact CG2-CB 3.97Å; D509-A513 WeakPolarHBondContact O-CB 3.34Å; D509-A513 PolarHBondContact O-N 2.72Å; V510-A513 PolarHBondContact O-N 3.26Å; A513-Q515 VanDerWaalsContact C-N 3.34Å; A513-Q515 PolarHBondContact O-N 3.27Å; A513-Q516 PolarHBondContact O-N 2.9Å; A513-I517 WeakPolarHBondContact O-CD1 3.43Å; A513-I517 WeakPolarHBondContact O-CG1 3.34Å; A513-I517 PolarHBondContact O-N 3.48Å
514W98.5Very high96.8Very high18 Ų1843.5 Ų43.57%0.06822%0.219CC..Hα-helixtrans-60.7-42176.4178.5-126.1000112.6F427 L430 V431 D434 F437 V510 N511 F512 Q516 I517 K518F427-W514 HydrophobicContact CD2-CB 4.42Å; F427-W514 HydrophobicContact CE2-CB 4.18Å; F427-W514 HydrophobicContact CE2-CD2 4.37Å; F427-W514 AromaticContact CE2-CE3 3.76Å; F427-W514 HydrophobicContact CE2-CE3 3.76Å; F427-W514 HydrophobicContact CZ-CE3 4.14Å; L430-W514 HydrophobicContact CB-CD2 4.17Å; L430-W514 HydrophobicContact CB-CG 4.05Å; L430-W514 HydrophobicContact CD1-CB 4.09Å; L430-W514 HydrophobicContact CD1-CG 4.01Å; L430-W514 VanDerWaalsContact O-CZ2 3.27Å; L430-W514 WeakPolarHBondContact O-CZ2 3.41Å; V431-W514 HydrophobicContact CB-CH2 4.32Å; V431-W514 HydrophobicContact CB-CZ3 4.48Å; V431-W514 HydrophobicContact CG2-CE3 4.23Å; V431-W514 HydrophobicContact CG2-CH2 4.09Å; V431-W514 HydrophobicContact CG2-CZ3 3.77Å; D434-W514 HydrophobicContact CB-CH2 4.17Å; D434-W514 HydrophobicContact CB-CZ2 3.79Å; F437-W514 HydrophobicContact CD1-CH2 4.21Å; F437-W514 HydrophobicContact CD1-CZ3 4.28Å; F437-W514 AromaticContact CD2-CH2 3.62Å; F437-W514 HydrophobicContact CD2-CH2 3.62Å; F437-W514 HydrophobicContact CD2-CZ2 4.47Å; F437-W514 HydrophobicContact CD2-CZ3 4.41Å; F437-W514 HydrophobicContact CE1-CH2 4.23Å; F437-W514 HydrophobicContact CE1-CZ3 4.09Å; F437-W514 AromaticContact CE2-CH2 3.65Å; F437-W514 HydrophobicContact CE2-CH2 3.65Å; F437-W514 HydrophobicContact CE2-CZ2 4.44Å; F437-W514 HydrophobicContact CE2-CZ3 4.24Å; F437-W514 AromaticContact CG-CH2 3.89Å; F437-W514 HydrophobicContact CG-CH2 3.89Å; F437-W514 HydrophobicContact CG-CZ3 4.41Å; F437-W514 AromaticContact CZ-CH2 3.94Å; F437-W514 HydrophobicContact CZ-CH2 3.94Å; F437-W514 HydrophobicContact CZ-CZ3 4.05Å; V510-W514 WeakPolarHBondContact O-CB 3.44Å; V510-W514 PolarHBondContact O-N 3.02Å; N511-W514 PolarHBondContact O-N 3.47Å; F512-W514 VanDerWaalsContact C-N 3.34Å; F512-W514 PolarHBondContact O-N 2.91Å; W514-Q516 PolarHBondContact O-N 2.96Å; W514-I517 HydrophobicContact CE3-CB 4.25Å; W514-I517 HydrophobicContact CE3-CG2 4.13Å; W514-I517 HydrophobicContact CZ3-CG2 3.94Å; W514-I517 PolarHBondContact O-N 3.3Å; W514-K518 HydrophobicContact CD2-CD 4.01Å; W514-K518 HydrophobicContact CD2-CG 3.92Å; W514-K518 HydrophobicContact CE3-CG 4.23Å; W514-K518 HydrophobicContact CG-CD 4.36Å; W514-K518 HydrophobicContact CH2-CD 4.37Å; W514-K518 HydrophobicContact CH2-CG 3.94Å; W514-K518 HydrophobicContact CZ2-CD 3.54Å; W514-K518 HydrophobicContact CZ2-CG 3.61Å; W514-K518 HydrophobicContact CZ3-CG 4.23Å; W514-K518 WeakPolarHBondContact O-CB 3.37Å; W514-K518 WeakPolarHBondContact O-CG 3.42Å; W514-K518 PolarHBondContact O-N 2.87Å
515Q98.4Very high96.5Very high91 Ų9142 Ų4243%0.42521%0.212SC..Hα-helixtrans-61.6-44176.4-170.561.148.500111.6N511 F512 A513 I517 K518 D519N511-Q515 PolarHBondContact O-N 3.24Å; F512-Q515 PolarHBondContact O-N 2.95Å; A513-Q515 VanDerWaalsContact C-N 3.34Å; A513-Q515 PolarHBondContact O-N 3.27Å; Q515-I517 VanDerWaalsContact C-N 3.35Å; Q515-I517 PolarHBondContact O-N 3.24Å; Q515-K518 PolarHBondContact O-N 3.34Å; Q515-D519 PolarHBondContact NE2-OD1 3.43Å; Q515-D519 PolarHBondContact O-N 3.45Å
516Q97.7Very high95.9Very high24 Ų2450 Ų5011%0.11224%0.242CC..Hα-helixtrans-59.7-44.4176.1-65.7-50.4-62.500112.3I483 F512 A513 W514 D519 V520I483-Q516 HydrophobicContact CD1-CB 4.24Å; F512-Q516 HydrophobicContact CD1-CG 4.19Å; F512-Q516 HydrophobicContact CE1-CG 3.73Å; F512-Q516 HydrophobicContact CZ-CG 4.08Å; F512-Q516 WeakPolarHBondContact O-CG 3.38Å; F512-Q516 PolarHBondContact O-N 3.44Å; A513-Q516 PolarHBondContact O-N 2.9Å; W514-Q516 PolarHBondContact O-N 2.96Å; Q516-D519 PolarHBondContact O-N 3.08Å; Q516-V520 PolarHBondContact O-N 3.44Å
517I97.8Very high95.1Very high1 Ų149.3 Ų49.31%0.00524%0.241CC..Hα-helixtrans-61.6-46.1177.2-69.6160.1000110.6F427 F437 F450 I477 I483 L498 A513 W514 Q515 A521F427-I517 HydrophobicContact CE2-CD1 4.09Å; F427-I517 HydrophobicContact CZ-CD1 4.02Å; F437-I517 HydrophobicContact CE1-CG2 3.73Å; F437-I517 HydrophobicContact CZ-CG2 3.96Å; F450-I517 HydrophobicContact CE2-CD1 4.48Å; F450-I517 HydrophobicContact CE2-CG2 3.89Å; F450-I517 HydrophobicContact CZ-CD1 3.91Å; F450-I517 HydrophobicContact CZ-CG2 4.35Å; I477-I517 HydrophobicContact CD1-CB 4.44Å; I477-I517 HydrophobicContact CD1-CG1 4.02Å; I483-I517 HydrophobicContact CD1-CD1 4.35Å; I483-I517 HydrophobicContact CD1-CG1 4.18Å; L498-I517 HydrophobicContact CD1-CD1 4.28Å; A513-I517 WeakPolarHBondContact O-CD1 3.43Å; A513-I517 WeakPolarHBondContact O-CG1 3.34Å; A513-I517 PolarHBondContact O-N 3.48Å; W514-I517 HydrophobicContact CE3-CB 4.25Å; W514-I517 HydrophobicContact CE3-CG2 4.13Å; W514-I517 HydrophobicContact CZ3-CG2 3.94Å; W514-I517 PolarHBondContact O-N 3.3Å; Q515-I517 VanDerWaalsContact C-N 3.35Å; Q515-I517 PolarHBondContact O-N 3.24Å; I517-A521 WeakPolarHBondContact O-CB 3.45Å; I517-A521 PolarHBondContact O-N 3.13Å
518K96.9Very high93.9Very high50 Ų5045.5 Ų45.522%0.21723%0.234CC..Hα-helixtrans-62.4-44178.6-80.7-17355.2133.60113D434 F437 W514 Q515 V520 A521 N522D434-K518 WeakPolarHBondContact OD2-CE 3.41Å; D434-K518 IonicContact OD2-NZ 2.72Å; D434-K518 PolarHBondContact OD2-NZ 3.27Å; F437-K518 HydrophobicContact CE2-CG 4.3Å; W514-K518 HydrophobicContact CD2-CD 4.01Å; W514-K518 HydrophobicContact CD2-CG 3.92Å; W514-K518 HydrophobicContact CE3-CG 4.23Å; W514-K518 HydrophobicContact CG-CD 4.36Å; W514-K518 HydrophobicContact CH2-CD 4.37Å; W514-K518 HydrophobicContact CH2-CG 3.94Å; W514-K518 HydrophobicContact CZ2-CD 3.54Å; W514-K518 HydrophobicContact CZ2-CG 3.61Å; W514-K518 HydrophobicContact CZ3-CG 4.23Å; W514-K518 WeakPolarHBondContact O-CB 3.37Å; W514-K518 WeakPolarHBondContact O-CG 3.42Å; W514-K518 PolarHBondContact O-N 2.87Å; Q515-K518 PolarHBondContact O-N 3.34Å; K518-V520 VanDerWaalsContact C-N 3.34Å; K518-V520 PolarHBondContact O-N 3.48Å; K518-A521 PolarHBondContact O-N 2.92Å; K518-N522 WeakPolarHBondContact O-CB 3.04Å; K518-N522 PolarHBondContact O-N 3.23Å; K518-N522 PolarHBondContact O-ND2 2.7Å; K518-N522 VanDerWaalsContact O-ND2 3.13Å
519D96.7Very high92.3Very high74 Ų7447.6 Ų47.640%0.39623%0.234SC..Hα-helixtrans-62.3-44.1-178.2-68.4-20000111Q515 Q516 N522 L523Q515-D519 PolarHBondContact NE2-OD1 3.43Å; Q515-D519 PolarHBondContact O-N 3.45Å; Q516-D519 PolarHBondContact O-N 3.08Å; D519-N522 PolarHBondContact O-N 3.06Å; D519-L523 PolarHBondContact O-N 3.49Å
520V96.1Very high90.6Very high15 Ų1550.9 Ų50.99%0.09125%0.251CS..Hα-helixtrans-67.7-42.7176.3174.30000111.7A473 I476 I477 Q516 K518 N522 L523 L524A473-V520 HydrophobicContact CB-CG1 4.16Å; I476-V520 HydrophobicContact CB-CG1 4.06Å; I476-V520 HydrophobicContact CD1-CG1 4.31Å; I476-V520 HydrophobicContact CG2-CG1 3.93Å; I476-V520 HydrophobicContact CG2-CG2 3.82Å; I477-V520 HydrophobicContact CD1-CB 4.2Å; I477-V520 HydrophobicContact CD1-CG1 4.34Å; I477-V520 HydrophobicContact CD1-CG2 4.46Å; I477-V520 HydrophobicContact CG1-CB 3.92Å; I477-V520 HydrophobicContact CG1-CG1 4.07Å; I477-V520 HydrophobicContact CG1-CG2 3.67Å; Q516-V520 PolarHBondContact O-N 3.44Å; K518-V520 VanDerWaalsContact C-N 3.34Å; K518-V520 PolarHBondContact O-N 3.48Å; V520-N522 PolarHBondContact O-N 3.31Å; V520-L523 WeakPolarHBondContact O-CB 3.36Å; V520-L523 PolarHBondContact O-N 3Å; V520-L524 HydrophobicContact CG1-CD1 3.91Å; V520-L524 HydrophobicContact CG1-CG 4.39Å; V520-L524 WeakPolarHBondContact O-CG 3.24Å; V520-L524 PolarHBondContact O-N 3.27Å
521A94.1Very high88.8Confident0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-60.6-44.7176.400000111.8F437 I452 I517 K518 L523 L524 L525F437-A521 HydrophobicContact CE1-CB 4.1Å; F437-A521 HydrophobicContact CE2-CB 4.11Å; F437-A521 HydrophobicContact CZ-CB 3.39Å; I452-A521 HydrophobicContact CD1-CB 3.72Å; I452-A521 HydrophobicContact CG1-CB 3.99Å; I452-A521 HydrophobicContact CG2-CB 4.43Å; I517-A521 WeakPolarHBondContact O-CB 3.45Å; I517-A521 PolarHBondContact O-N 3.13Å; K518-A521 PolarHBondContact O-N 2.92Å; A521-L523 VanDerWaalsContact C-N 3.33Å; A521-L523 PolarHBondContact O-N 3.44Å; A521-L524 PolarHBondContact O-N 3.13Å; A521-L525 WeakPolarHBondContact O-CB 3.48Å; A521-L525 VanDerWaalsContact O-CG 3.23Å; A521-L525 WeakPolarHBondContact O-CG 3.23Å; A521-L525 PolarHBondContact O-N 3.46Å
522N93.2Very high86.8Confident53 Ų5356.9 Ų56.928%0.28329%0.294SS..Hα-helixtrans-61.5-40.1176.8-75.2-33.6000112.3K518 D519 V520 R526K518-N522 WeakPolarHBondContact O-CB 3.04Å; K518-N522 PolarHBondContact O-N 3.23Å; K518-N522 PolarHBondContact O-ND2 2.7Å; K518-N522 VanDerWaalsContact O-ND2 3.13Å; D519-N522 PolarHBondContact O-N 3.06Å; V520-N522 PolarHBondContact O-N 3.31Å; N522-R526 WeakPolarHBondContact O-CB 3.34Å; N522-R526 VanDerWaalsContact O-CG 3.24Å; N522-R526 WeakPolarHBondContact O-CG 3.48Å; N522-R526 PolarHBondContact O-N 2.9Å; N522-R526 VanDerWaalsContact O-N 3.13Å
523L92.8Very high84.6Confident90 Ų9061.9 Ų61.947%0.47132%0.318SS..Hα-helixtrans-61.3-50.4175.2177.865.8000111.2D519 V520 A521 R526 N527D519-L523 PolarHBondContact O-N 3.49Å; V520-L523 WeakPolarHBondContact O-CB 3.36Å; V520-L523 PolarHBondContact O-N 3Å; A521-L523 VanDerWaalsContact C-N 3.33Å; A521-L523 PolarHBondContact O-N 3.44Å; L523-R526 PolarHBondContact O-N 3.12Å; L523-N527 PolarHBondContact O-N 3.34Å; L523-N527 VanDerWaalsContact O-N 3.12Å; L523-N527 PolarHBondContact O-OD1 3.32Å
524L91.8Very high82.1Confident25 Ų2574.2 Ų74.213%0.13137%0.365CS..Hα-helixtrans-66.7-39.4-177.9-67.6171.9000112.6I469 K472 A473 I476 V520 A521 R526 N527 G528I469-L524 HydrophobicContact CD1-CB 3.93Å; I469-L524 HydrophobicContact CG1-CB 3.87Å; I469-L524 HydrophobicContact CG1-CD1 4.04Å; K472-L524 HydrophobicContact CB-CD1 4.23Å; K472-L524 HydrophobicContact CB-CD2 4.3Å; A473-L524 HydrophobicContact CB-CD1 3.73Å; I476-L524 HydrophobicContact CD1-CD1 4.39Å; I476-L524 HydrophobicContact CD1-CD2 3.93Å; I476-L524 HydrophobicContact CD1-CG 4.42Å; V520-L524 HydrophobicContact CG1-CD1 3.91Å; V520-L524 HydrophobicContact CG1-CG 4.39Å; V520-L524 WeakPolarHBondContact O-CG 3.24Å; V520-L524 PolarHBondContact O-N 3.27Å; A521-L524 PolarHBondContact O-N 3.13Å; L524-R526 VanDerWaalsContact C-N 3.33Å; L524-R526 PolarHBondContact O-N 3.47Å; L524-N527 PolarHBondContact O-N 3.47Å; L524-G528 PolarHBondContact O-N 2.96Å
525L88.4Confident81.3Confident18 Ų1877.1 Ų77.19%0.09438%0.38CS..Hα-helixtrans-68.2-29.5177.4-71.8169.7000113N436 I452 I469 A521 K529N436-L525 HydrophobicContact CB-CD1 3.81Å; I452-L525 HydrophobicContact CG2-CD1 4.13Å; I452-L525 HydrophobicContact CG2-CD2 4.16Å; I452-L525 HydrophobicContact CG2-CG 4.22Å; I469-L525 HydrophobicContact CD1-CD2 3.67Å; I469-L525 HydrophobicContact CD1-CG 4Å; A521-L525 WeakPolarHBondContact O-CB 3.48Å; A521-L525 VanDerWaalsContact O-CG 3.23Å; A521-L525 WeakPolarHBondContact O-CG 3.23Å; A521-L525 PolarHBondContact O-N 3.46Å; L525-K529 WeakPolarHBondContact O-CG 3.39Å; L525-K529 PolarHBondContact O-N 3.02Å
526R85.8Confident80.4Confident170 Ų17076.3 Ų76.364%0.64238%0.378SS*.Hα-helixtrans-71.3-49.9173.1-75.4172.9-174.8-175.61.9111.1N522 L523 L524 G528 K529 D530N522-R526 WeakPolarHBondContact O-CB 3.34Å; N522-R526 VanDerWaalsContact O-CG 3.24Å; N522-R526 WeakPolarHBondContact O-CG 3.48Å; N522-R526 PolarHBondContact O-N 2.9Å; N522-R526 VanDerWaalsContact O-N 3.13Å; L523-R526 PolarHBondContact O-N 3.12Å; L524-R526 VanDerWaalsContact C-N 3.33Å; L524-R526 PolarHBondContact O-N 3.47Å; R526-G528 VanDerWaalsContact C-N 3.29Å; R526-G528 PolarHBondContact O-N 3.22Å; R526-K529 WeakPolarHBondContact O-CB 3.43Å; R526-K529 PolarHBondContact O-N 3.08Å; R526-D530 PolarHBondContact O-N 2.98Å; R526-D530 VanDerWaalsContact O-N 3.08Å
527N81Confident79.4Confident75 Ų7579.2 Ų79.240%0.40139%0.392SS..Hα-helixtrans-58.8-41.8179.2-65.6-4.6000111.8L523 L524 K529 D530 D531L523-N527 PolarHBondContact O-N 3.34Å; L523-N527 VanDerWaalsContact O-N 3.12Å; L523-N527 PolarHBondContact O-OD1 3.32Å; L524-N527 PolarHBondContact O-N 3.47Å; N527-K529 VanDerWaalsContact C-N 3.25Å; N527-K529 PolarHBondContact O-N 3.33Å; N527-D530 PolarHBondContact O-N 3.44Å; N527-D531 PolarHBondContact O-N 3.29Å
528G73.1Confident78.3Confident34 Ų3483.8 Ų83.835%0.35142%0.415SS..Hα-helixtrans-66.9-21.1176.400000114.7L524 R526 A532L524-G528 PolarHBondContact O-N 2.96Å; R526-G528 VanDerWaalsContact C-N 3.29Å; R526-G528 PolarHBondContact O-N 3.22Å; G528-A532 WeakPolarHBondContact O-CB 3.4Å; G528-A532 PolarHBondContact O-N 3.46Å
529K64.2Low77.1Confident123 Ų12385.9 Ų85.954%0.53543%0.427SS..Hα-helixtrans-79.7-40.4171.5-75.3177.2-178.2-176.80111.4L525 R526 N527 D531 A532 Q533L525-K529 WeakPolarHBondContact O-CG 3.39Å; L525-K529 PolarHBondContact O-N 3.02Å; R526-K529 WeakPolarHBondContact O-CB 3.43Å; R526-K529 PolarHBondContact O-N 3.08Å; N527-K529 VanDerWaalsContact C-N 3.25Å; N527-K529 PolarHBondContact O-N 3.33Å; K529-D531 VanDerWaalsContact C-N 3.34Å; K529-A532 PolarHBondContact O-N 3.24Å; K529-Q533 WeakPolarHBondContact O-CG 3.38Å; K529-Q533 PolarHBondContact O-N 3.25Å; K529-Q533 VanDerWaalsContact O-N 3.08Å
530D63.2Low75.8Confident83 Ų8386.7 Ų86.744%0.44443%0.43SS..Hα-helixtrans-65.7-39.4178.2-65.8-14.5000111R526 N527 A532 Q533 R534R526-D530 PolarHBondContact O-N 2.98Å; R526-D530 VanDerWaalsContact O-N 3.08Å; N527-D530 PolarHBondContact O-N 3.44Å; D530-A532 VanDerWaalsContact C-N 3.3Å; D530-A532 PolarHBondContact O-N 3.45Å; D530-Q533 PolarHBondContact O-N 2.77Å; D530-R534 WeakPolarHBondContact O-CG 3.48Å; D530-R534 PolarHBondContact O-N 3.08Å
531D59.3Low74.4Confident109 Ų10991.9 Ų91.958%0.58345%0.454SS*.Hα-helixtrans-68.9-26.2175-70.6-22.2000113N527 K529N527-D531 PolarHBondContact O-N 3.29Å; K529-D531 VanDerWaalsContact C-N 3.34Å
532A57Low72.9Confident80 Ų8098.9 Ų98.966%0.66149%0.489SS*.Hα-helixtrans-85.7-15.9176.100000113.6G528 K529 D530G528-A532 WeakPolarHBondContact O-CB 3.4Å; G528-A532 PolarHBondContact O-N 3.46Å; K529-A532 PolarHBondContact O-N 3.24Å; D530-A532 VanDerWaalsContact C-N 3.3Å; D530-A532 PolarHBondContact O-N 3.45Å
533Q52.6Low71.2Confident166 Ų166102.8 Ų102.878%0.77651%0.506SS*.Hα-helixtrans-92-17.8175.7-76.2-177.4-3.700113.1K529 D530K529-Q533 WeakPolarHBondContact O-CG 3.38Å; K529-Q533 PolarHBondContact O-N 3.25Å; K529-Q533 VanDerWaalsContact O-N 3.08Å; D530-Q533 PolarHBondContact O-N 2.77Å
534R45.3Very low69.2Low260 Ų260103.9 Ų103.998%0.98151%0.509SS*.  trans-850169.1-70.6177.3179.5-175.81.6110.4D530D530-R534 WeakPolarHBondContact O-CG 3.48Å; D530-R534 PolarHBondContact O-N 3.08Å

Retrieved 534 of 534 residues in 593.7 ms (Link to these results)

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