A0A077Z7C4_TRITR Loading...

Glycine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z7C4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 695 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
1M33.9Very low68.2Low242 Ų24284.7 Ų84.7100%1.19245%0.446SS*.  0126.50-81.3170.7164.500106.6D3M1-D3 PolarHBondContact O-N 2.89Å
2Q54.9Low69.3Low126 Ų12683.7 Ų83.759%0.58945%0.447SS*.  trans-60.7134.7173.2-74.7177.1-8.600107.6E7 R14Q2-E7 PolarHBondContact OE1-OE2 2.85Å; Q2-R14 VanDerWaalsContact OE1-NH2 3.07Å
3D65.6Low70.4Confident50 Ų5080.3 Ų80.327%0.26743%0.429SS..  trans-54.2126.7179.7-172.6-37.9000109.1M1 A5 I6 E7 Y62M1-D3 PolarHBondContact O-N 2.89Å; D3-A5 PolarHBondContact O-N 3.04Å; D3-A5 VanDerWaalsContact O-N 3.11Å; D3-A5 WeakPolarHBondContact OD1-CB 3.29Å; D3-A5 PolarHBondContact OD1-N 3.33Å; D3-I6 HydrophobicContact CB-CB 4.07Å; D3-I6 HydrophobicContact CB-CD1 3.72Å; D3-I6 HydrophobicContact CB-CG1 3.79Å; D3-I6 WeakPolarHBondContact O-CB 3.49Å; D3-I6 PolarHBondContact O-N 2.76Å; D3-E7 PolarHBondContact O-N 3.39Å; D3-Y62 VanDerWaalsContact OD2-CZ 3.27Å; D3-Y62 PolarHBondContact OD2-OH 3.34Å
4P70.1Confident71.6Confident108 Ų10880.1 Ų80.170%0.70142%0.419SS*.Hα-helixtrans-51.4-34.2179-26.533.9000113.5E7 E8P4-E7 PolarHBondContact O-N 2.63Å; P4-E8 PolarHBondContact O-N 3.15Å
5A64.7Low72.7Confident50 Ų5080.2 Ų80.241%0.41342%0.417SS..Hα-helixtrans-72.3-36.5178.600000112.5D3 E7 E8 V9D3-A5 PolarHBondContact O-N 3.04Å; D3-A5 VanDerWaalsContact O-N 3.11Å; D3-A5 WeakPolarHBondContact OD1-CB 3.29Å; D3-A5 PolarHBondContact OD1-N 3.33Å; A5-E7 VanDerWaalsContact C-N 3.3Å; A5-E8 PolarHBondContact O-N 2.98Å; A5-V9 PolarHBondContact O-N 3.14Å
6I68.3Low73.7Confident28 Ų2877.3 Ų77.314%0.14441%0.405CS..Hα-helixtrans-64.7-41.3172.7-66.2175.8000109.5D3 V9 L10 W58 Y62D3-I6 HydrophobicContact CB-CB 4.07Å; D3-I6 HydrophobicContact CB-CD1 3.72Å; D3-I6 HydrophobicContact CB-CG1 3.79Å; D3-I6 WeakPolarHBondContact O-CB 3.49Å; D3-I6 PolarHBondContact O-N 2.76Å; I6-V9 PolarHBondContact O-N 3.44Å; I6-L10 HydrophobicContact CG2-CD1 3.58Å; I6-L10 HydrophobicContact CG2-CG 4.15Å; I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.37Å; I6-L10 PolarHBondContact O-N 2.92Å; I6-W58 HydrophobicContact CD1-CE3 4.16Å; I6-W58 HydrophobicContact CG1-CD2 4.3Å; I6-W58 HydrophobicContact CG1-CE3 3.82Å; I6-W58 HydrophobicContact CG1-CZ3 4.1Å; I6-Y62 HydrophobicContact CD1-CD1 4.41Å; I6-Y62 HydrophobicContact CD1-CG 4.38Å
7E77Confident74.5Confident51 Ų5173.6 Ų73.624%0.23839%0.387CS..Hα-helixtrans-66.6-39.4-179.8-165.162.7-17000111.6Q2 D3 P4 A5 V9 L10 Q11 R14Q2-E7 PolarHBondContact OE1-OE2 2.85Å; D3-E7 PolarHBondContact O-N 3.39Å; P4-E7 PolarHBondContact O-N 2.63Å; A5-E7 VanDerWaalsContact C-N 3.3Å; E7-V9 VanDerWaalsContact C-N 3.31Å; E7-V9 PolarHBondContact O-N 3.06Å; E7-L10 PolarHBondContact O-N 2.68Å; E7-Q11 WeakPolarHBondContact O-CB 3.45Å; E7-Q11 PolarHBondContact O-N 3.09Å; E7-Q11 PolarHBondContact OE1-OE1 2.7Å; E7-R14 IonicContact OE1-CZ 2.73Å; E7-R14 IonicContact OE1-NH1 2.96Å; E7-R14 PolarHBondContact OE1-NH1 2.86Å; E7-R14 IonicContact OE2-CZ 3.81Å; E7-R14 VanDerWaalsContact OE2-CZ 3.3Å; E7-R14 IonicContact OE2-NH1 3.96Å; E7-R14 PolarHBondContact OE2-NH1 3.26Å; E7-R14 IonicContact OE2-NH2 3.82Å; E7-R14 PolarHBondContact OE2-NH2 2.72Å
8E76.4Confident75.3Confident155 Ų15576.8 Ų76.872%0.72440%0.397SS*.Hα-helixtrans-58.5-39.3175.7-168.8173.1-170.200112.8P4 A5 P12P4-E8 PolarHBondContact O-N 3.15Å; A5-E8 PolarHBondContact O-N 2.98Å; E8-P12 WeakPolarHBondContact O-CD 3.43Å
9V74.4Confident76.1Confident42 Ų4280.9 Ų80.926%0.25541%0.407SS..Hα-helixtrans-75.5-36.4177.3173.40000112.8A5 I6 E7 W58 L74A5-V9 PolarHBondContact O-N 3.14Å; I6-V9 PolarHBondContact O-N 3.44Å; E7-V9 VanDerWaalsContact C-N 3.31Å; E7-V9 PolarHBondContact O-N 3.06Å; V9-W58 HydrophobicContact CG2-CZ2 4.4Å; V9-L74 HydrophobicContact CG1-CD2 3.93Å; V9-L74 HydrophobicContact CG2-CD2 4.24Å
10L81.3Confident76.8Confident6 Ų678.1 Ų78.13%0.03139%0.392CS..Hα-helixtrans-83.3-27.8-176.1-68-179000112.8I6 E7 L13 R14 L51 K54 V55I6-L10 HydrophobicContact CG2-CD1 3.58Å; I6-L10 HydrophobicContact CG2-CG 4.15Å; I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.37Å; I6-L10 PolarHBondContact O-N 2.92Å; E7-L10 PolarHBondContact O-N 2.68Å; L10-L13 PolarHBondContact O-N 2.57Å; L10-L13 VanDerWaalsContact O-N 3.14Å; L10-R14 WeakPolarHBondContact O-CG 3.36Å; L10-R14 PolarHBondContact O-N 2.85Å; L10-L51 HydrophobicContact CD2-CD1 4.32Å; L10-K54 HydrophobicContact CD2-CB 4.2Å; L10-V55 HydrophobicContact CD1-CG2 4.07Å; L10-V55 HydrophobicContact CD2-CG2 4.02Å
11Q83.2Confident77.4Confident74 Ų7477.2 Ų77.235%0.34639%0.389SS..Hα-helixtrans-59.3-46.7-173.7-175.466.1600113.6E7 L13 R14 E15E7-Q11 WeakPolarHBondContact O-CB 3.45Å; E7-Q11 PolarHBondContact O-N 3.09Å; E7-Q11 PolarHBondContact OE1-OE1 2.7Å; Q11-L13 PolarHBondContact O-N 3.19Å; Q11-R14 PolarHBondContact O-N 2.69Å; Q11-E15 PolarHBondContact NE2-OE1 3.07Å; Q11-E15 WeakPolarHBondContact O-CG 3.22Å; Q11-E15 PolarHBondContact O-N 3.14Å
12P82.2Confident80.1Confident72 Ų7269.8 Ų69.847%0.46835%0.351SS..Hα-helixtrans-60.4-32.3177.2-2434000113.2E8 S16E8-P12 WeakPolarHBondContact O-CD 3.43Å; P12-S16 WeakPolarHBondContact O-CB 3.35Å; P12-S16 PolarHBondContact O-N 3.23Å
13L82.7Confident81.7Confident40 Ų4068.1 Ų68.121%0.20934%0.343CS..Hα-helixtrans-76.8-39.8178-70.5169.4000112.1L10 Q11 E15 S16 V17 L51 K54L10-L13 PolarHBondContact O-N 2.57Å; L10-L13 VanDerWaalsContact O-N 3.14Å; Q11-L13 PolarHBondContact O-N 3.19Å; L13-E15 VanDerWaalsContact C-N 3.28Å; L13-E15 PolarHBondContact O-N 3.46Å; L13-S16 PolarHBondContact O-N 3.19Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.06Å; L13-L51 HydrophobicContact CB-CD1 3.8Å; L13-K54 HydrophobicContact CD1-CB 4.48Å; L13-K54 HydrophobicContact CD1-CD 3.08Å; L13-K54 HydrophobicContact CD1-CG 4.38Å; L13-K54 VanDerWaalsContact CD1-NZ 3.35Å
14R88.2Confident82.8Confident78 Ų7866 Ų6629%0.29433%0.332SS..Hα-helixtrans-58.7-44.2171.3-70.4178.5-177.5-179.58.1110.3Q2 E7 L10 Q11 V17 K18 L51Q2-R14 VanDerWaalsContact OE1-NH2 3.07Å; E7-R14 IonicContact OE1-CZ 2.73Å; E7-R14 IonicContact OE1-NH1 2.96Å; E7-R14 PolarHBondContact OE1-NH1 2.86Å; E7-R14 IonicContact OE2-CZ 3.81Å; E7-R14 VanDerWaalsContact OE2-CZ 3.3Å; E7-R14 IonicContact OE2-NH1 3.96Å; E7-R14 PolarHBondContact OE2-NH1 3.26Å; E7-R14 IonicContact OE2-NH2 3.82Å; E7-R14 PolarHBondContact OE2-NH2 2.72Å; L10-R14 WeakPolarHBondContact O-CG 3.36Å; L10-R14 PolarHBondContact O-N 2.85Å; Q11-R14 PolarHBondContact O-N 2.69Å; R14-V17 PolarHBondContact O-N 3.49Å; R14-K18 WeakPolarHBondContact O-CB 3.34Å; R14-K18 PolarHBondContact O-N 3.15Å; R14-L51 HydrophobicContact CG-CD1 4.09Å; R14-L51 HydrophobicContact CG-CD2 4.1Å
15E88.3Confident83.5Confident81 Ų8165.6 Ų65.638%0.37932%0.321SS..Hα-helixtrans-65.1-40175.6-72.8177-171.200113Q11 L13 K18 R19Q11-E15 PolarHBondContact NE2-OE1 3.07Å; Q11-E15 WeakPolarHBondContact O-CG 3.22Å; Q11-E15 PolarHBondContact O-N 3.14Å; L13-E15 VanDerWaalsContact C-N 3.28Å; L13-E15 PolarHBondContact O-N 3.46Å; E15-K18 PolarHBondContact O-N 2.75Å; E15-R19 WeakPolarHBondContact O-CB 3.42Å; E15-R19 WeakPolarHBondContact O-CG 3.42Å; E15-R19 PolarHBondContact O-N 3.05Å; E15-R19 IonicContact OE2-NH2 2.83Å
16S88Confident84.7Confident33 Ų3367.2 Ų67.223%0.23132%0.322CS..Hα-helixtrans-64.8-40.2176.6-176.50000112.2P12 L13 Q20 K47P12-S16 WeakPolarHBondContact O-CB 3.35Å; P12-S16 PolarHBondContact O-N 3.23Å; L13-S16 PolarHBondContact O-N 3.19Å; S16-Q20 WeakPolarHBondContact O-CB 3.31Å; S16-Q20 PolarHBondContact O-N 3.5Å; S16-K47 PolarHBondContact O-NZ 3.35Å
17V88.2Confident85.7Confident16 Ų1667 Ų6710%0.09732%0.321CS..Hα-helixtrans-64.4-47.9172.7170.40000110.2L13 R14 Q20 D21 L44 K47 K48 L51L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.06Å; R14-V17 PolarHBondContact O-N 3.49Å; V17-Q20 PolarHBondContact O-N 3.23Å; V17-Q20 VanDerWaalsContact O-N 3.16Å; V17-D21 PolarHBondContact O-N 2.95Å; V17-L44 HydrophobicContact CG1-CD1 4.36Å; V17-K47 HydrophobicContact CG2-CB 3.86Å; V17-K48 HydrophobicContact CG1-CD 4.47Å; V17-K48 HydrophobicContact CG1-CG 3.74Å; V17-K48 HydrophobicContact CG2-CG 4.37Å; V17-L51 HydrophobicContact CG2-CB 4.21Å; V17-L51 HydrophobicContact CG2-CD2 4.05Å
18K88.9Confident86.1Confident130 Ų13070.6 Ų70.657%0.56534%0.336SS*.Hα-helixtrans-58.9-48.7179.4-175.7179.8174.7-175.20112R14 E15 Q20 D21 E22R14-K18 WeakPolarHBondContact O-CB 3.34Å; R14-K18 PolarHBondContact O-N 3.15Å; E15-K18 PolarHBondContact O-N 2.75Å; K18-Q20 VanDerWaalsContact C-N 3.25Å; K18-Q20 PolarHBondContact O-N 2.95Å; K18-D21 WeakPolarHBondContact O-CB 3.35Å; K18-D21 PolarHBondContact O-N 2.78Å; K18-D21 VanDerWaalsContact O-N 3.12Å; K18-E22 WeakPolarHBondContact CE-OE1 3.26Å; K18-E22 WeakPolarHBondContact O-CG 3.28Å; K18-E22 PolarHBondContact O-N 3.02Å
19R89.3Confident86.5Confident156 Ų15670.7 Ų70.759%0.58933%0.334SS*.Hα-helixtrans-56.9-38.7175.4-80.6-176.5-97.2165.8-11.5112.4E15 H23E15-R19 WeakPolarHBondContact O-CB 3.42Å; E15-R19 WeakPolarHBondContact O-CG 3.42Å; E15-R19 PolarHBondContact O-N 3.05Å; E15-R19 IonicContact OE2-NH2 2.83Å; R19-H23 WeakPolarHBondContact O-CB 3.4Å; R19-H23 PolarHBondContact O-N 3.11Å
20Q91.3Very high87.1Confident23 Ų2375 Ų7511%0.10736%0.356CS..Hα-helixtrans-72.7-37.5177.4-166.268.128.900112.3S16 V17 K18 H23 V24 A40 L44 K47S16-Q20 WeakPolarHBondContact O-CB 3.31Å; S16-Q20 PolarHBondContact O-N 3.5Å; V17-Q20 PolarHBondContact O-N 3.23Å; V17-Q20 VanDerWaalsContact O-N 3.16Å; K18-Q20 VanDerWaalsContact C-N 3.25Å; K18-Q20 PolarHBondContact O-N 2.95Å; Q20-H23 PolarHBondContact O-N 3.48Å; Q20-V24 WeakPolarHBondContact O-CG2 3.22Å; Q20-V24 PolarHBondContact O-N 3.07Å; Q20-A40 PolarHBondContact NE2-O 3.48Å; Q20-L44 HydrophobicContact CB-CD1 3.84Å; Q20-L44 HydrophobicContact CG-CB 3.79Å; Q20-L44 HydrophobicContact CG-CD1 3.92Å; Q20-L44 HydrophobicContact CG-CG 4.47Å; Q20-K47 HydrophobicContact CB-CD 3.77Å; Q20-K47 HydrophobicContact CG-CD 4.02Å
21D88.6Confident87.1Confident60 Ų6078 Ų7832%0.32139%0.388SS..Hα-helixtrans-62.4-47.1176.2-136.143.6000109.8V17 K18 H23 V24 E25 L44 K48V17-D21 PolarHBondContact O-N 2.95Å; K18-D21 WeakPolarHBondContact O-CB 3.35Å; K18-D21 PolarHBondContact O-N 2.78Å; K18-D21 VanDerWaalsContact O-N 3.12Å; D21-H23 VanDerWaalsContact C-N 3.33Å; D21-H23 PolarHBondContact O-N 2.62Å; D21-V24 PolarHBondContact O-N 3.41Å; D21-V24 VanDerWaalsContact O-N 3.17Å; D21-E25 PolarHBondContact O-N 2.92Å; D21-L44 HydrophobicContact CB-CD1 4.16Å; D21-L44 WeakPolarHBondContact OD1-CD2 3.39Å; D21-K48 IonicContact OD1-NZ 2.9Å; D21-K48 PolarHBondContact OD1-NZ 3.44Å
22E90Very high87Confident87 Ų8776.1 Ų76.141%0.40738%0.383SS..Hα-helixtrans-60.2-40.5174.5-71.3171.2-177.200112.1K18 E25 N26K18-E22 WeakPolarHBondContact CE-OE1 3.26Å; K18-E22 WeakPolarHBondContact O-CG 3.28Å; K18-E22 PolarHBondContact O-N 3.02Å; E22-E25 PolarHBondContact O-N 3.39Å; E22-N26 VanDerWaalsContact O-CG 3.3Å; E22-N26 PolarHBondContact O-N 3.42Å; E22-N26 PolarHBondContact O-ND2 3.14Å
23H89Confident87Confident91 Ų9176.5 Ų76.542%0.42138%0.384SS..Hα-helixtrans-62.4-43.5174.6-178.563.7000112R19 Q20 D21 E25 N26 L27R19-H23 WeakPolarHBondContact O-CB 3.4Å; R19-H23 PolarHBondContact O-N 3.11Å; Q20-H23 PolarHBondContact O-N 3.48Å; D21-H23 VanDerWaalsContact C-N 3.33Å; D21-H23 PolarHBondContact O-N 2.62Å; H23-E25 VanDerWaalsContact C-N 3.34Å; H23-E25 PolarHBondContact O-N 2.83Å; H23-N26 PolarHBondContact O-N 3.18Å; H23-L27 WeakPolarHBondContact O-CG 3.48Å; H23-L27 PolarHBondContact O-N 3.44Å
24V88.3Confident86.9Confident4 Ų482.9 Ų82.92%0.02441%0.41CS..Hα-helixtrans-62.8-39.7175170.50000111.3Q20 D21 L27 K28 A40 L41 L44Q20-V24 WeakPolarHBondContact O-CG2 3.22Å; Q20-V24 PolarHBondContact O-N 3.07Å; D21-V24 PolarHBondContact O-N 3.41Å; D21-V24 VanDerWaalsContact O-N 3.17Å; V24-L27 PolarHBondContact O-N 3.3Å; V24-K28 WeakPolarHBondContact O-CG 3.44Å; V24-K28 PolarHBondContact O-N 2.98Å; V24-K28 VanDerWaalsContact O-N 3.14Å; V24-A40 HydrophobicContact CG2-CB 3.73Å; V24-L41 HydrophobicContact CG1-CD2 3.88Å; V24-L41 HydrophobicContact CG1-CG 4.29Å; V24-L44 HydrophobicContact CG2-CB 4.43Å; V24-L44 HydrophobicContact CG2-CD2 4.18Å
25E86.1Confident86.4Confident101 Ų10184.7 Ų84.747%0.47243%0.426SS..Hα-helixtrans-64.4-41.5175-73.2-167.416900112.8D21 E22 H23 K28 K29D21-E25 PolarHBondContact O-N 2.92Å; E22-E25 PolarHBondContact O-N 3.39Å; H23-E25 VanDerWaalsContact C-N 3.34Å; H23-E25 PolarHBondContact O-N 2.83Å; E25-K28 WeakPolarHBondContact O-CB 3.4Å; E25-K28 PolarHBondContact O-N 3.17Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.03Å
26N89.5Confident86.1Confident83 Ų8385.5 Ų85.544%0.44443%0.43SS..Hα-helixtrans-64.4-41.1176.7-73.2-25.2000111.7E22 H23 K28 K29 N30E22-N26 VanDerWaalsContact O-CG 3.3Å; E22-N26 PolarHBondContact O-N 3.42Å; E22-N26 PolarHBondContact O-ND2 3.14Å; H23-N26 PolarHBondContact O-N 3.18Å; N26-K28 VanDerWaalsContact C-N 3.29Å; N26-K28 PolarHBondContact O-N 2.86Å; N26-K29 PolarHBondContact O-N 3.47Å; N26-N30 WeakPolarHBondContact O-CB 3.43Å; N26-N30 PolarHBondContact O-N 3.24Å
27L88.1Confident85.9Confident23 Ų2385.9 Ų85.912%0.1243%0.429CS..Hα-helixtrans-61.5-38.1175.4-70.6174.3000112.1H23 V24 S32 L37 A40H23-L27 WeakPolarHBondContact O-CG 3.48Å; H23-L27 PolarHBondContact O-N 3.44Å; V24-L27 PolarHBondContact O-N 3.3Å; L27-S32 VanDerWaalsContact CA-OG 3.22Å; L27-S32 WeakPolarHBondContact CA-OG 3.29Å; L27-S32 WeakPolarHBondContact CD2-OG 3.23Å; L27-S32 WeakPolarHBondContact O-CB 3.43Å; L27-S32 PolarHBondContact O-N 3.14Å; L27-S32 PolarHBondContact O-OG 3.35Å; L27-L37 HydrophobicContact CB-CD1 4.15Å; L27-A40 HydrophobicContact CD1-CB 3.42Å; L27-A40 VanDerWaalsContact CD1-CB 3.42Å
28K85.6Confident85.6Confident128 Ų12888 Ų8856%0.55744%0.442SS*.Hα-helixtrans-65.8-40.2175-73175.3-179.8176.30112.6V24 E25 N26 L37V24-K28 WeakPolarHBondContact O-CG 3.44Å; V24-K28 PolarHBondContact O-N 2.98Å; V24-K28 VanDerWaalsContact O-N 3.14Å; E25-K28 WeakPolarHBondContact O-CB 3.4Å; E25-K28 PolarHBondContact O-N 3.17Å; N26-K28 VanDerWaalsContact C-N 3.29Å; N26-K28 PolarHBondContact O-N 2.86Å; K28-L37 HydrophobicContact CG-CD1 3.83Å; K28-L37 HydrophobicContact CG-CD2 4.42Å
29K86Confident85.2Confident157 Ų15788.1 Ų88.168%0.68344%0.444SS*.Hα-helixtrans-70.5-36.7179.7-73.6175.1-177167.80112.8E25 N26 G31E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.03Å; N26-K29 PolarHBondContact O-N 3.47Å; K29-G31 VanDerWaalsContact C-N 3.32Å; K29-G31 PolarHBondContact O-N 2.84Å
30N86.1Confident84.9Confident132 Ų13281 Ų8171%0.70642%0.418SS*.THydrogen-bonded Turntrans-85.20.4-175-67.5-10.1000114.3N26N26-N30 WeakPolarHBondContact O-CB 3.43Å; N26-N30 PolarHBondContact O-N 3.24Å
31G81.1Confident84.7Confident69 Ų6983 Ų8371%0.71143%0.43SS*.THydrogen-bonded Turntrans68.438.9-179.400000113.5K29K29-G31 VanDerWaalsContact C-N 3.32Å; K29-G31 PolarHBondContact O-N 2.84Å
32S82Confident84.1Confident35 Ų3585.4 Ų85.425%0.24544%0.44CS..  trans-65.6163-178.1-45.50000112.2L27 E36L27-S32 VanDerWaalsContact CA-OG 3.22Å; L27-S32 WeakPolarHBondContact CA-OG 3.29Å; L27-S32 WeakPolarHBondContact CD2-OG 3.23Å; L27-S32 WeakPolarHBondContact O-CB 3.43Å; L27-S32 PolarHBondContact O-N 3.14Å; L27-S32 PolarHBondContact O-OG 3.35Å; S32-E36 WeakPolarHBondContact CB-OE2 3.15Å
33T81.9Confident83.8Confident80 Ų8083.3 Ų83.349%0.49144%0.435SS..  trans-64.4152.7-179.564.70000111.4D35 E36 L37T33-D35 PolarHBondContact O-N 2.97Å; T33-E36 PolarHBondContact N-OE2 3.31Å; T33-E36 PolarHBondContact O-N 2.72Å; T33-E36 WeakPolarHBondContact OG1-CB 3.48Å; T33-E36 WeakPolarHBondContact OG1-CG 3.37Å; T33-E36 PolarHBondContact OG1-N 3.48Å; T33-E36 PolarHBondContact OG1-OE2 2.83Å; T33-L37 PolarHBondContact O-N 2.96Å; T33-L37 VanDerWaalsContact O-N 3.12Å
34K80.5Confident83.7Confident173 Ų17379.5 Ų79.575%0.75242%0.418SS*.Hα-helixtrans-56.6-36.9178.5-171.2179.5177.7-1760111.7L37 V38K34-L37 PolarHBondContact O-N 3.19Å; K34-V38 VanDerWaalsContact O-CG2 3.26Å; K34-V38 WeakPolarHBondContact O-CG2 3.41Å; K34-V38 PolarHBondContact O-N 3.32Å
35D78.1Confident83.2Confident117 Ų11787 Ų8763%0.62645%0.45SS*.Hα-helixtrans-70.4-43.8-179-67.1-20.8000112.2T33 L37 V38 H39T33-D35 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact C-N 3.26Å; D35-L37 PolarHBondContact O-N 3.36Å; D35-V38 PolarHBondContact O-N 2.71Å; D35-H39 PolarHBondContact O-CD2 3.19Å; D35-H39 VanDerWaalsContact O-CD2 3.27Å; D35-H39 PolarHBondContact O-N 3.37Å
36E81.2Confident82.9Confident97 Ų9788.1 Ų88.145%0.45346%0.459SS..Hα-helixtrans-57.8-42.3173.3-73.6165.3147.300111.3S32 T33 H39 A40S32-E36 WeakPolarHBondContact CB-OE2 3.15Å; T33-E36 PolarHBondContact N-OE2 3.31Å; T33-E36 PolarHBondContact O-N 2.72Å; T33-E36 WeakPolarHBondContact OG1-CB 3.48Å; T33-E36 WeakPolarHBondContact OG1-CG 3.37Å; T33-E36 PolarHBondContact OG1-N 3.48Å; T33-E36 PolarHBondContact OG1-OE2 2.83Å; E36-H39 PolarHBondContact O-N 3.21Å; E36-A40 WeakPolarHBondContact O-CB 3.49Å; E36-A40 PolarHBondContact O-N 3.17Å
37L83.4Confident82.7Confident42 Ų4287 Ų8722%0.2245%0.45CS..Hα-helixtrans-65.4-40.8178.7-144.3114.6000111.9L27 K28 T33 K34 D35 L41L27-L37 HydrophobicContact CB-CD1 4.15Å; K28-L37 HydrophobicContact CG-CD1 3.83Å; K28-L37 HydrophobicContact CG-CD2 4.42Å; T33-L37 PolarHBondContact O-N 2.96Å; T33-L37 VanDerWaalsContact O-N 3.12Å; K34-L37 PolarHBondContact O-N 3.19Å; D35-L37 VanDerWaalsContact C-N 3.26Å; D35-L37 PolarHBondContact O-N 3.36Å; L37-L41 HydrophobicContact CD2-CD1 4Å; L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.17Å; L37-L41 PolarHBondContact O-N 3.08Å
38V81.8Confident82.5Confident60 Ų6090.3 Ų90.336%0.36446%0.463SS..Hα-helixtrans-65-46.9176.7168.50000110.9K34 D35 A40 L41 M42K34-V38 VanDerWaalsContact O-CG2 3.26Å; K34-V38 WeakPolarHBondContact O-CG2 3.41Å; K34-V38 PolarHBondContact O-N 3.32Å; D35-V38 PolarHBondContact O-N 2.71Å; V38-A40 PolarHBondContact O-N 3.35Å; V38-L41 PolarHBondContact O-N 2.89Å; V38-M42 HydrophobicContact CG1-CE 3.83Å; V38-M42 HydrophobicContact CG1-SD 4.42Å; V38-M42 WeakPolarHBondContact O-CG 3.37Å; V38-M42 PolarHBondContact O-N 2.97Å
39H81.2Confident82Confident132 Ų13290.6 Ų90.661%0.61146%0.464SS*.Hα-helixtrans-60.1-45.2176.7-83.6-67.4000112.1D35 E36 L41 M42 S43D35-H39 PolarHBondContact O-CD2 3.19Å; D35-H39 VanDerWaalsContact O-CD2 3.27Å; D35-H39 PolarHBondContact O-N 3.37Å; E36-H39 PolarHBondContact O-N 3.21Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 3.4Å; H39-M42 PolarHBondContact O-N 2.91Å; H39-S43 PolarHBondContact O-N 3.38Å
40A84Confident81.5Confident6 Ų685.4 Ų85.45%0.0545%0.451CS..Hα-helixtrans-63.8-38.6178.200000112.3Q20 V24 L27 E36 V38 L44Q20-A40 PolarHBondContact NE2-O 3.48Å; V24-A40 HydrophobicContact CG2-CB 3.73Å; L27-A40 HydrophobicContact CD1-CB 3.42Å; L27-A40 VanDerWaalsContact CD1-CB 3.42Å; E36-A40 WeakPolarHBondContact O-CB 3.49Å; E36-A40 PolarHBondContact O-N 3.17Å; V38-A40 PolarHBondContact O-N 3.35Å; A40-L44 WeakPolarHBondContact O-CB 3.42Å; A40-L44 PolarHBondContact O-N 3.4Å
41L86.4Confident81.3Confident67 Ų6780.6 Ų80.635%0.35143%0.425SS..Hα-helixtrans-68.1-38.9174.8-78.3168.9000112.9V24 L37 V38 H39 L44 K45V24-L41 HydrophobicContact CG1-CD2 3.88Å; V24-L41 HydrophobicContact CG1-CG 4.29Å; L37-L41 HydrophobicContact CD2-CD1 4Å; L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.17Å; L37-L41 PolarHBondContact O-N 3.08Å; V38-L41 PolarHBondContact O-N 2.89Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 3.4Å; L41-L44 HydrophobicContact CD2-CD2 4.47Å; L41-L44 PolarHBondContact O-N 3.27Å; L41-K45 PolarHBondContact O-N 3.06Å
42M76.6Confident81.1Confident110 Ų11084.5 Ų84.554%0.54242%0.423SS..Hα-helixtrans-63.1-45.6174.1-74.8-173.4-179.900111.2V38 H39 L44 K45 L46V38-M42 HydrophobicContact CG1-CE 3.83Å; V38-M42 HydrophobicContact CG1-SD 4.42Å; V38-M42 WeakPolarHBondContact O-CG 3.37Å; V38-M42 PolarHBondContact O-N 2.97Å; H39-M42 PolarHBondContact O-N 2.91Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-L44 PolarHBondContact O-N 3.13Å; M42-K45 PolarHBondContact O-N 3.29Å; M42-L46 PolarHBondContact O-N 3.28Å
43S83.1Confident80.7Confident42 Ų4287.3 Ų87.329%0.29444%0.435SS..Hα-helixtrans-60.3-42.5175-177.60000111.8H39 K45 L46 K47H39-S43 PolarHBondContact O-N 3.38Å; S43-K45 PolarHBondContact O-N 2.89Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-K47 WeakPolarHBondContact O-CG 3.3Å; S43-K47 PolarHBondContact O-N 2.91Å
44L86.2Confident80.2Confident11 Ų1184.9 Ų84.96%0.05842%0.417CS..Hα-helixtrans-61.5-44174.5-177.865.4000112.5V17 Q20 D21 V24 A40 L41 M42 K47 K48V17-L44 HydrophobicContact CG1-CD1 4.36Å; Q20-L44 HydrophobicContact CB-CD1 3.84Å; Q20-L44 HydrophobicContact CG-CB 3.79Å; Q20-L44 HydrophobicContact CG-CD1 3.92Å; Q20-L44 HydrophobicContact CG-CG 4.47Å; D21-L44 HydrophobicContact CB-CD1 4.16Å; D21-L44 WeakPolarHBondContact OD1-CD2 3.39Å; V24-L44 HydrophobicContact CG2-CB 4.43Å; V24-L44 HydrophobicContact CG2-CD2 4.18Å; A40-L44 WeakPolarHBondContact O-CB 3.42Å; A40-L44 PolarHBondContact O-N 3.4Å; L41-L44 HydrophobicContact CD2-CD2 4.47Å; L41-L44 PolarHBondContact O-N 3.27Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-L44 PolarHBondContact O-N 3.13Å; L44-K47 PolarHBondContact O-N 2.78Å; L44-K48 HydrophobicContact CD1-CD 4.36Å; L44-K48 HydrophobicContact CD1-CG 4.44Å; L44-K48 HydrophobicContact CG-CD 4.21Å; L44-K48 WeakPolarHBondContact O-CB 3.42Å; L44-K48 WeakPolarHBondContact O-CG 3.49Å; L44-K48 PolarHBondContact O-N 3.23Å
45K78.9Confident80Confident163 Ų16379 Ų7971%0.70940%0.396SS*.Hα-helixtrans-60.2-44.5175.7-81.9-174.8176.1-174.90111.6L41 M42 S43 K48 K49L41-K45 PolarHBondContact O-N 3.06Å; M42-K45 PolarHBondContact O-N 3.29Å; S43-K45 PolarHBondContact O-N 2.89Å; K45-K48 PolarHBondContact O-N 3.13Å; K45-K49 WeakPolarHBondContact O-CB 3.19Å; K45-K49 PolarHBondContact O-N 2.91Å
46L78.9Confident79.4Confident124 Ų12476.4 Ų76.465%0.64939%0.386SS*.Hα-helixtrans-60.1-47.9176.4-76166.1000111.5M42 S43 K49 A50M42-L46 PolarHBondContact O-N 3.28Å; S43-L46 PolarHBondContact O-N 2.96Å; L46-K49 PolarHBondContact O-N 2.92Å; L46-A50 PolarHBondContact O-N 3.36Å
47K86.3Confident78.3Confident58 Ų5874.2 Ų74.225%0.25238%0.375SS..Hα-helixtrans-62.9-42.9177.5-70.3179176.4-1750112.6S16 V17 Q20 S43 L44 A50 L51S16-K47 PolarHBondContact O-NZ 3.35Å; V17-K47 HydrophobicContact CG2-CB 3.86Å; Q20-K47 HydrophobicContact CB-CD 3.77Å; Q20-K47 HydrophobicContact CG-CD 4.02Å; S43-K47 WeakPolarHBondContact O-CG 3.3Å; S43-K47 PolarHBondContact O-N 2.91Å; L44-K47 PolarHBondContact O-N 2.78Å; K47-A50 PolarHBondContact O-N 2.97Å; K47-L51 PolarHBondContact O-N 3.13Å
48K83Confident77.3Confident93 Ų9373.7 Ų73.740%0.40437%0.37SS..Hα-helixtrans-63.2-40.3175.6-77-178.7177.9170.30111.5V17 D21 L44 K45 L51 K52V17-K48 HydrophobicContact CG1-CD 4.47Å; V17-K48 HydrophobicContact CG1-CG 3.74Å; V17-K48 HydrophobicContact CG2-CG 4.37Å; D21-K48 IonicContact OD1-NZ 2.9Å; D21-K48 PolarHBondContact OD1-NZ 3.44Å; L44-K48 HydrophobicContact CD1-CD 4.36Å; L44-K48 HydrophobicContact CD1-CG 4.44Å; L44-K48 HydrophobicContact CG-CD 4.21Å; L44-K48 WeakPolarHBondContact O-CB 3.42Å; L44-K48 WeakPolarHBondContact O-CG 3.49Å; L44-K48 PolarHBondContact O-N 3.23Å; K45-K48 PolarHBondContact O-N 3.13Å; K48-L51 PolarHBondContact O-N 3.06Å; K48-K52 WeakPolarHBondContact O-CB 3.25Å; K48-K52 PolarHBondContact O-N 3.34Å
49K74.9Confident76.5Confident134 Ų13477.4 Ų77.458%0.58339%0.388SS*.Hα-helixtrans-63.7-45175-173.1175.7-179.3-179.10111.5K45 L46 K52 N53K45-K49 WeakPolarHBondContact O-CB 3.19Å; K45-K49 PolarHBondContact O-N 2.91Å; L46-K49 PolarHBondContact O-N 2.92Å; K49-K52 PolarHBondContact O-N 2.79Å; K49-N53 WeakPolarHBondContact O-CB 3.48Å; K49-N53 VanDerWaalsContact O-CG 3.22Å; K49-N53 PolarHBondContact O-N 3.28Å; K49-N53 PolarHBondContact O-OD1 3.24Å
50A75.9Confident75.3Confident49 Ų4976.7 Ų76.741%0.40538%0.384SS..Hα-helixtrans-60.2-46.3176.300000112.2L46 K47 N53 K54L46-A50 PolarHBondContact O-N 3.36Å; K47-A50 PolarHBondContact O-N 2.97Å; A50-N53 PolarHBondContact O-N 3.42Å; A50-K54 PolarHBondContact O-N 3.45Å; A50-K54 VanDerWaalsContact O-N 3.09Å
51L82Confident73.7Confident30 Ų3079.4 Ų79.416%0.15740%0.4CS..Hα-helixtrans-61.3-46.5175.1178.163.3000111.5L10 L13 R14 V17 K47 K48 N53 K54 V55L10-L51 HydrophobicContact CD2-CD1 4.32Å; L13-L51 HydrophobicContact CB-CD1 3.8Å; R14-L51 HydrophobicContact CG-CD1 4.09Å; R14-L51 HydrophobicContact CG-CD2 4.1Å; V17-L51 HydrophobicContact CG2-CB 4.21Å; V17-L51 HydrophobicContact CG2-CD2 4.05Å; K47-L51 PolarHBondContact O-N 3.13Å; K48-L51 PolarHBondContact O-N 3.06Å; L51-N53 PolarHBondContact O-N 3.44Å; L51-K54 PolarHBondContact O-N 2.97Å; L51-V55 HydrophobicContact CD1-CG2 4.18Å; L51-V55 HydrophobicContact CG-CG2 4.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.85Å
52K76.7Confident72Confident152 Ų15280.5 Ų80.566%0.66140%0.4SS*.Hα-helixtrans-59.8-47178.8-175.4-178178.3-176.10111.7K48 K49 K54 V55 C56K48-K52 WeakPolarHBondContact O-CB 3.25Å; K48-K52 PolarHBondContact O-N 3.34Å; K49-K52 PolarHBondContact O-N 2.79Å; K52-K54 VanDerWaalsContact C-N 3.31Å; K52-K54 PolarHBondContact O-N 3.18Å; K52-V55 PolarHBondContact O-N 2.74Å; K52-C56 WeakPolarHBondContact O-CB 3.45Å; K52-C56 PolarHBondContact O-N 3.45Å
53N72.9Confident70.9Confident93 Ų9380.2 Ų80.250%0.49741%0.407SS..Hα-helixtrans-58.9-44.3178.4-72.91.5000111K49 A50 L51 C56 F57K49-N53 WeakPolarHBondContact O-CB 3.48Å; K49-N53 VanDerWaalsContact O-CG 3.22Å; K49-N53 PolarHBondContact O-N 3.28Å; K49-N53 PolarHBondContact O-OD1 3.24Å; A50-N53 PolarHBondContact O-N 3.42Å; L51-N53 PolarHBondContact O-N 3.44Å; N53-C56 PolarHBondContact O-N 2.96Å; N53-F57 WeakPolarHBondContact O-CB 3.42Å; N53-F57 PolarHBondContact O-N 2.99Å
54K72.2Confident69Low30 Ų3089 Ų8913%0.1343%0.434CS..Hα-helixtrans-64.4-43.3176.5-111.2178.3170.1-163.70113.3L10 L13 A50 L51 K52 C56 F57 W58 L78L10-K54 HydrophobicContact CD2-CB 4.2Å; L13-K54 HydrophobicContact CD1-CB 4.48Å; L13-K54 HydrophobicContact CD1-CD 3.08Å; L13-K54 HydrophobicContact CD1-CG 4.38Å; L13-K54 VanDerWaalsContact CD1-NZ 3.35Å; A50-K54 PolarHBondContact O-N 3.45Å; A50-K54 VanDerWaalsContact O-N 3.09Å; L51-K54 PolarHBondContact O-N 2.97Å; K52-K54 VanDerWaalsContact C-N 3.31Å; K52-K54 PolarHBondContact O-N 3.18Å; K54-C56 VanDerWaalsContact C-N 3.35Å; K54-F57 PolarHBondContact O-N 2.9Å; K54-W58 VanDerWaalsContact O-CD1 3.26Å; K54-W58 PolarHBondContact O-N 3.5Å; K54-L78 HydrophobicContact CD-CD2 4.31Å
55V75.9Confident66.8Low49 Ų4993.2 Ų93.230%0.29746%0.459SS..Hα-helixtrans-62.2-44.2176.6171.10000110.6L10 L51 K52 W58 L59L10-V55 HydrophobicContact CD1-CG2 4.07Å; L10-V55 HydrophobicContact CD2-CG2 4.02Å; L51-V55 HydrophobicContact CD1-CG2 4.18Å; L51-V55 HydrophobicContact CG-CG2 4.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.85Å; K52-V55 PolarHBondContact O-N 2.74Å; V55-W58 PolarHBondContact O-N 3.33Å; V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CG 3.43Å; V55-L59 PolarHBondContact O-N 3.07Å
56C65.2Low65Low63 Ų6389.5 Ų89.543%0.42645%0.454SS..Hα-helixtrans-59.6-47.1176-119.30000111.7K52 N53 K54 W58 L59 Q60K52-C56 WeakPolarHBondContact O-CB 3.45Å; K52-C56 PolarHBondContact O-N 3.45Å; N53-C56 PolarHBondContact O-N 2.96Å; K54-C56 VanDerWaalsContact C-N 3.35Å; C56-W58 PolarHBondContact O-N 3.05Å; C56-L59 PolarHBondContact O-N 2.93Å; C56-Q60 WeakPolarHBondContact O-CG 3.11Å; C56-Q60 PolarHBondContact O-N 3.25Å; C56-Q60 VanDerWaalsContact O-N 3.09Å
57F59.3Low63.3Low50 Ų5093.3 Ų93.322%0.21946%0.46CS..Hα-helixtrans-58.6-48178.8-176.9-94.9000111.8N53 K54 L59 Q60 V61 L74 E77N53-F57 WeakPolarHBondContact O-CB 3.42Å; N53-F57 PolarHBondContact O-N 2.99Å; K54-F57 PolarHBondContact O-N 2.9Å; F57-L59 PolarHBondContact O-N 3.23Å; F57-Q60 PolarHBondContact O-N 3.43Å; F57-V61 HydrophobicContact CD2-CG2 4.16Å; F57-V61 HydrophobicContact CE1-CG2 4.48Å; F57-V61 HydrophobicContact CE2-CG2 4.03Å; F57-V61 HydrophobicContact CG-CG2 4.45Å; F57-V61 HydrophobicContact CZ-CG2 4.2Å; F57-V61 WeakPolarHBondContact O-CB 3.36Å; F57-V61 VanDerWaalsContact O-CG2 3.3Å; F57-V61 WeakPolarHBondContact O-CG2 3.43Å; F57-V61 PolarHBondContact O-N 2.86Å; F57-L74 HydrophobicContact CD1-CD1 4.44Å; F57-L74 HydrophobicContact CE1-CD1 4.18Å; F57-E77 WeakPolarHBondContact CE2-OE1 3.41Å
58W62.8Low61.1Low31 Ų3196.3 Ų96.312%0.11748%0.483CS..Hα-helixtrans-64.3-39.8178.4-84.9104.3000113.1I6 V9 K54 V55 C56 Q60 Y62 L74I6-W58 HydrophobicContact CD1-CE3 4.16Å; I6-W58 HydrophobicContact CG1-CD2 4.3Å; I6-W58 HydrophobicContact CG1-CE3 3.82Å; I6-W58 HydrophobicContact CG1-CZ3 4.1Å; V9-W58 HydrophobicContact CG2-CZ2 4.4Å; K54-W58 VanDerWaalsContact O-CD1 3.26Å; K54-W58 PolarHBondContact O-N 3.5Å; V55-W58 PolarHBondContact O-N 3.33Å; C56-W58 PolarHBondContact O-N 3.05Å; W58-Q60 VanDerWaalsContact C-N 3.32Å; W58-Q60 PolarHBondContact O-N 3.37Å; W58-Y62 AromaticContact CE3-CD2 3.83Å; W58-Y62 HydrophobicContact CE3-CD2 3.83Å; W58-Y62 HydrophobicContact CE3-CE2 4.5Å; W58-Y62 HydrophobicContact CE3-CG 4.49Å; W58-Y62 AromaticContact CZ3-CD2 3.54Å; W58-Y62 HydrophobicContact CZ3-CD2 3.54Å; W58-Y62 AromaticContact CZ3-CE2 3.87Å; W58-Y62 HydrophobicContact CZ3-CE2 3.87Å; W58-Y62 WeakPolarHBondContact O-CB 3.48Å; W58-Y62 PolarHBondContact O-N 3.49Å; W58-L74 HydrophobicContact CZ2-CD1 3.75Å; W58-L74 HydrophobicContact CZ2-CD2 3.93Å; W58-L74 HydrophobicContact CZ2-CG 4.49Å
59L64.4Low59.3Low139 Ų13999 Ų9973%0.72850%0.495SS*.Hα-helixtrans-67-31.7178.6-73.5170.9000113V55 C56 F57V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CG 3.43Å; V55-L59 PolarHBondContact O-N 3.07Å; C56-L59 PolarHBondContact O-N 2.93Å; F57-L59 PolarHBondContact O-N 3.23Å
60Q56.8Low57.8Low116 Ų11694.9 Ų94.954%0.54248%0.478SS..Hα-helixtrans-84.9-35.2-178.5-73178.7-36.500113.2C56 F57 W58C56-Q60 WeakPolarHBondContact O-CG 3.11Å; C56-Q60 PolarHBondContact O-N 3.25Å; C56-Q60 VanDerWaalsContact O-N 3.09Å; F57-Q60 PolarHBondContact O-N 3.43Å; W58-Q60 VanDerWaalsContact C-N 3.32Å; W58-Q60 PolarHBondContact O-N 3.37Å
61V50.2Low56.2Low63 Ų6399.6 Ų99.638%0.38249%0.492SS..Hα-helixtrans-98.8-29.5-166-179.70000113.6F57 P63 R64F57-V61 HydrophobicContact CD2-CG2 4.16Å; F57-V61 HydrophobicContact CE1-CG2 4.48Å; F57-V61 HydrophobicContact CE2-CG2 4.03Å; F57-V61 HydrophobicContact CG-CG2 4.45Å; F57-V61 HydrophobicContact CZ-CG2 4.2Å; F57-V61 WeakPolarHBondContact O-CB 3.36Å; F57-V61 VanDerWaalsContact O-CG2 3.3Å; F57-V61 WeakPolarHBondContact O-CG2 3.43Å; F57-V61 PolarHBondContact O-N 2.86Å; V61-P63 VanDerWaalsContact C-N 3.31Å; V61-P63 VanDerWaalsContact O-N 3.11Å; V61-R64 PolarHBondContact O-N 3.37Å
62Y50.7Low54.5Low91 Ų91103.8 Ų103.836%0.35751%0.51SS..THydrogen-bonded Turntrans-54.1-34.2-172.2-161.9-116.6000115.8D3 I6 W58 R64D3-Y62 VanDerWaalsContact OD2-CZ 3.27Å; D3-Y62 PolarHBondContact OD2-OH 3.34Å; I6-Y62 HydrophobicContact CD1-CD1 4.41Å; I6-Y62 HydrophobicContact CD1-CG 4.38Å; W58-Y62 AromaticContact CE3-CD2 3.83Å; W58-Y62 HydrophobicContact CE3-CD2 3.83Å; W58-Y62 HydrophobicContact CE3-CE2 4.5Å; W58-Y62 HydrophobicContact CE3-CG 4.49Å; W58-Y62 AromaticContact CZ3-CD2 3.54Å; W58-Y62 HydrophobicContact CZ3-CD2 3.54Å; W58-Y62 AromaticContact CZ3-CE2 3.87Å; W58-Y62 HydrophobicContact CZ3-CE2 3.87Å; W58-Y62 WeakPolarHBondContact O-CB 3.48Å; W58-Y62 PolarHBondContact O-N 3.49Å; Y62-R64 PolarHBondContact O-N 2.95Å; Y62-R64 VanDerWaalsContact O-N 3.08Å
63P52.6Low53Low104 Ų10498.6 Ų98.668%0.67549%0.488SS*.THydrogen-bonded Turntrans-68.2-4.2-177-21.833.6000116.8V61V61-P63 VanDerWaalsContact C-N 3.31Å; V61-P63 VanDerWaalsContact O-N 3.11Å
64R43.5Very low51.6Low227 Ų22795.6 Ų95.686%0.85747%0.472SS*.SBendtrans-128.2-6.8-162.6-69-169.9179.8-175.80.9120.9V61 Y62V61-R64 PolarHBondContact O-N 3.37Å; Y62-R64 PolarHBondContact O-N 2.95Å; Y62-R64 VanDerWaalsContact O-N 3.08Å
65V39.7Very low50.4Low99 Ų9998.3 Ų98.360%0.649%0.487SS*.  trans-150.3152.5-176.7-166.60000115Q70V65-Q70 PolarHBondContact O-NE2 2.76Å; V65-Q70 VanDerWaalsContact O-NE2 3.08Å
66S42.2Very low49.2Very low85 Ų85101.5 Ų101.559%0.59449%0.494SS*.  trans-59.3153.2-178.6-1760000116.8
67R42.1Very low48.4Very low203 Ų203103.2 Ų103.277%0.76650%0.496SS*.THydrogen-bonded Turntrans-62-44.3-167.3-79-179.1172.4173.5-3.5116.8F69 Q70R67-F69 PolarHBondContact O-N 2.86Å; R67-Q70 WeakPolarHBondContact O-CB 3.25Å; R67-Q70 PolarHBondContact O-N 3.18Å
68T40.8Very low47.8Very low122 Ų122104.8 Ų104.875%0.74851%0.506SS*.Hα-helixtrans-71.4-27.8-170.5190000113.8Q70T68-Q70 VanDerWaalsContact C-N 3.27Å; T68-Q70 PolarHBondContact O-N 3.21Å
69F44.1Very low47.4Very low150 Ų150106.9 Ų106.966%0.65852%0.517SS*.Hα-helixtrans-75.4-18.2176.2-144.8-96.8000112R67 E73R67-F69 PolarHBondContact O-N 2.86Å; F69-E73 WeakPolarHBondContact O-CB 3.42Å
70Q43.5Very low47.5Very low47 Ų47106 Ų10622%0.2252%0.52CS..Hα-helixtrans-77.3-41.8-176.8-66.4-178.7-3.300113.2V65 R67 T68 E73 L74V65-Q70 PolarHBondContact O-NE2 2.76Å; V65-Q70 VanDerWaalsContact O-NE2 3.08Å; R67-Q70 WeakPolarHBondContact O-CB 3.25Å; R67-Q70 PolarHBondContact O-N 3.18Å; T68-Q70 VanDerWaalsContact C-N 3.27Å; T68-Q70 PolarHBondContact O-N 3.21Å; Q70-E73 PolarHBondContact O-N 2.87Å; Q70-L74 WeakPolarHBondContact O-CB 3.3Å; Q70-L74 PolarHBondContact O-N 2.75Å
71E42.1Very low48.9Very low148 Ų148104.2 Ų104.269%0.69251%0.511SS*.Hα-helixtrans-67.3-45.8-172.6-79.8-179.7179.100113L75E71-L75 WeakPolarHBondContact O-CB 3.44Å; E71-L75 WeakPolarHBondContact O-CD1 3.34Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 2.92Å
72E46.9Very low50.8Low118 Ų118104 Ų10455%0.55151%0.508SS*.Hα-helixtrans-66.6-39.5176.7-73.1-170175.400111.9R76E72-R76 VanDerWaalsContact O-CG 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 3.01Å; E72-R76 IonicContact OE2-NH2 3.72Å
73E46.2Very low52.7Low43 Ų43103 Ų10320%0.20150%0.503CS..Hα-helixtrans-75.4-34.8-177.2-161.168-161.500112.9F69 Q70 R76 E77 K383F69-E73 WeakPolarHBondContact O-CB 3.42Å; Q70-E73 PolarHBondContact O-N 2.87Å; E73-R76 WeakPolarHBondContact O-CB 3.27Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 VanDerWaalsContact OE2-CD 3.24Å; E73-R76 WeakPolarHBondContact OE2-CD 3.43Å; E73-R76 IonicContact OE2-CZ 3.5Å; E73-R76 IonicContact OE2-NE 2.74Å; E73-R76 IonicContact OE2-NH1 3.75Å; E73-R76 PolarHBondContact OE2-NH1 3.25Å; E73-E77 PolarHBondContact O-N 2.93Å; E73-K383 IonicContact OE1-NZ 3.2Å
74L42Very low54.6Low29 Ų29104.9 Ų104.915%0.15250%0.501CS..Hα-helixtrans-67.4-37.3173.4-168.988.7000111.5V9 F57 W58 Q70 R76 L78V9-L74 HydrophobicContact CG1-CD2 3.93Å; V9-L74 HydrophobicContact CG2-CD2 4.24Å; F57-L74 HydrophobicContact CD1-CD1 4.44Å; F57-L74 HydrophobicContact CE1-CD1 4.18Å; W58-L74 HydrophobicContact CZ2-CD1 3.75Å; W58-L74 HydrophobicContact CZ2-CD2 3.93Å; W58-L74 HydrophobicContact CZ2-CG 4.49Å; Q70-L74 WeakPolarHBondContact O-CB 3.3Å; Q70-L74 PolarHBondContact O-N 2.75Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-L78 PolarHBondContact O-N 3.29Å
75L46.9Very low57.1Low87 Ų8796.9 Ų96.946%0.45547%0.472SS..Hα-helixtrans-67-35.5171.3-73.7167.1000111.3E71 E77 L78E71-L75 WeakPolarHBondContact O-CB 3.44Å; E71-L75 WeakPolarHBondContact O-CD1 3.34Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 2.92Å; L75-E77 PolarHBondContact O-N 3.38Å; L75-L78 PolarHBondContact O-N 2.88Å
76R52.2Low59.8Low117 Ų11792.1 Ų92.144%0.44244%0.444SS..Hα-helixtrans-62.1-36.4175.6-74.6169.3-162.9178.70.8113.7E72 E73 L74E72-R76 VanDerWaalsContact O-CG 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 3.01Å; E72-R76 IonicContact OE2-NH2 3.72Å; E73-R76 WeakPolarHBondContact O-CB 3.27Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 VanDerWaalsContact OE2-CD 3.24Å; E73-R76 WeakPolarHBondContact OE2-CD 3.43Å; E73-R76 IonicContact OE2-CZ 3.5Å; E73-R76 IonicContact OE2-NE 2.74Å; E73-R76 IonicContact OE2-NH1 3.75Å; E73-R76 PolarHBondContact OE2-NH1 3.25Å; L74-R76 VanDerWaalsContact C-N 3.34Å
77E47.3Very low62.3Low99 Ų9991.2 Ų91.246%0.46343%0.43SS..Hα-helixtrans-81.3-18178-81.2-173.2-156.700114.3F57 E73 L75 E79 K383F57-E77 WeakPolarHBondContact CE2-OE1 3.41Å; E73-E77 PolarHBondContact O-N 2.93Å; L75-E77 PolarHBondContact O-N 3.38Å; E77-E79 VanDerWaalsContact C-N 3.33Å; E77-K383 IonicContact OE1-NZ 2.6Å; E77-K383 PolarHBondContact OE1-NZ 2.79Å
78L46.2Very low64.8Low83 Ų8385.8 Ų85.844%0.43542%0.416SS..Hα-helixtrans-77.8-20177.6-85.5171.5000113.4K54 L74 L75 P80K54-L78 HydrophobicContact CD-CD2 4.31Å; L74-L78 PolarHBondContact O-N 3.29Å; L75-L78 PolarHBondContact O-N 2.88Å; L78-P80 WeakPolarHBondContact O-CD 3.34Å
79E55.4Low67.5Low74 Ų7480 Ų8035%0.34638%0.38SS..SBendtrans-70.8117.8177.7-73.6-176.4-174.600109.4E77 F81E77-E79 VanDerWaalsContact C-N 3.33Å; E79-F81 PolarHBondContact O-N 2.78Å; E79-F81 VanDerWaalsContact O-N 3.09Å
80P67.1Low70Confident122 Ų12272.9 Ų72.979%0.79235%0.349SS*.PPolyproline II helixtrans-61118.917524.6-31.3000108.8L78 D82L78-P80 WeakPolarHBondContact O-CD 3.34Å; P80-D82 PolarHBondContact O-N 2.75Å
81F85.5Confident72.5Confident78 Ų7876.3 Ų76.334%0.34236%0.363SS..PPolyproline II helixtrans-64.4117.2172.7172.4-106.8000109.8E79 R83 M86 E548 F551E79-F81 PolarHBondContact O-N 2.78Å; E79-F81 VanDerWaalsContact O-N 3.09Å; F81-R83 HydrophobicContact CD1-CB 4.42Å; F81-R83 HydrophobicContact CE1-CB 3.6Å; F81-R83 HydrophobicContact CE1-CG 4.16Å; F81-R83 HydrophobicContact CZ-CB 4.07Å; F81-R83 HydrophobicContact CZ-CG 4.42Å; F81-M86 HydrophobicContact CE2-CB 4.19Å; F81-M86 HydrophobicContact CE2-SD 3.99Å; F81-M86 HydrophobicContact CZ-CB 4.22Å; F81-M86 HydrophobicContact CZ-CE 4.08Å; F81-M86 HydrophobicContact CZ-SD 3.8Å; F81-E548 HydrophobicContact CD2-CG 4.43Å; F81-E548 HydrophobicContact CE1-CG 3.88Å; F81-E548 HydrophobicContact CE2-CG 3.72Å; F81-E548 HydrophobicContact CZ-CB 4.44Å; F81-E548 HydrophobicContact CZ-CG 3.42Å; F81-E548 VanDerWaalsContact CZ-CG 3.42Å; F81-F551 HydrophobicContact CD2-CD1 4.06Å; F81-F551 HydrophobicContact CE2-CB 4.22Å; F81-F551 AromaticContact CE2-CD1 3.86Å; F81-F551 HydrophobicContact CE2-CD1 3.86Å; F81-F551 HydrophobicContact CE2-CG 4.32Å
82D89.9Confident75.1Confident59 Ų5974 Ų7432%0.31635%0.349SS..  trans-99.697175.4-171.2-22.4000110.1P80 F84 K85 M86P80-D82 PolarHBondContact O-N 2.75Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.3Å; D82-F84 PolarHBondContact OD1-N 2.86Å; D82-K85 HydrophobicContact CB-CB 4.09Å; D82-K85 HydrophobicContact CB-CD 4.07Å; D82-K85 HydrophobicContact CB-CG 4.17Å; D82-K85 PolarHBondContact O-N 3.33Å; D82-K85 PolarHBondContact OD1-N 3.11Å; D82-K85 VanDerWaalsContact OD1-N 3.13Å; D82-K85 WeakPolarHBondContact OD2-CD 3.39Å; D82-K85 WeakPolarHBondContact OD2-CE 3.23Å; D82-K85 VanDerWaalsContact OD2-CG 3.31Å; D82-K85 WeakPolarHBondContact OD2-CG 3.35Å; D82-M86 PolarHBondContact O-N 3.48Å
83R91.6Very high77.5Confident70 Ų7071.4 Ų71.426%0.26433%0.334SS..Hα-helixtrans-57.3-39.2178.1-173.2179.759.8-132.8-5.4112.2F81 M86 E87 S410F81-R83 HydrophobicContact CD1-CB 4.42Å; F81-R83 HydrophobicContact CE1-CB 3.6Å; F81-R83 HydrophobicContact CE1-CG 4.16Å; F81-R83 HydrophobicContact CZ-CB 4.07Å; F81-R83 HydrophobicContact CZ-CG 4.42Å; R83-M86 PolarHBondContact O-N 3.21Å; R83-E87 WeakPolarHBondContact CD-OE1 3.3Å; R83-E87 HydrophobicContact CG-CG 4.23Å; R83-E87 WeakPolarHBondContact CG-OE1 3.29Å; R83-E87 IonicContact NE-OE1 2.96Å; R83-E87 WeakPolarHBondContact O-CG 3.1Å; R83-E87 PolarHBondContact O-N 2.96Å; R83-S410 WeakPolarHBondContact CD-OG 3.5Å
84F92.5Very high79.9Confident142 Ų14274 Ų7462%0.62334%0.344SS*.Hα-helixtrans-68.9-39-175.9-65-71.9000111.3D82 M86 E87 D88D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.3Å; D82-F84 PolarHBondContact OD1-N 2.86Å; F84-M86 VanDerWaalsContact C-N 3.35Å; F84-E87 PolarHBondContact O-N 2.85Å; F84-D88 WeakPolarHBondContact O-CB 3.44Å; F84-D88 PolarHBondContact O-N 2.65Å
85K94.7Very high82.6Confident59 Ų5972.6 Ų72.626%0.25734%0.337SS..Hα-helixtrans-63.6-39.6172.5-76-177.5-177.7-172.80112.4D82 L89 F551 E558 T561D82-K85 HydrophobicContact CB-CB 4.09Å; D82-K85 HydrophobicContact CB-CD 4.07Å; D82-K85 HydrophobicContact CB-CG 4.17Å; D82-K85 PolarHBondContact O-N 3.33Å; D82-K85 PolarHBondContact OD1-N 3.11Å; D82-K85 VanDerWaalsContact OD1-N 3.13Å; D82-K85 WeakPolarHBondContact OD2-CD 3.39Å; D82-K85 WeakPolarHBondContact OD2-CE 3.23Å; D82-K85 VanDerWaalsContact OD2-CG 3.31Å; D82-K85 WeakPolarHBondContact OD2-CG 3.35Å; K85-L89 WeakPolarHBondContact O-CB 3.41Å; K85-L89 PolarHBondContact O-N 2.9Å; K85-F551 HydrophobicContact CB-CE1 4.41Å; K85-F551 HydrophobicContact CB-CZ 3.82Å; K85-E558 PolarHBondContact NZ-O 2.97Å; K85-T561 HydrophobicContact CD-CG2 4.43Å
86M95.7Very high84.9Confident0 Ų069.3 Ų69.30%032%0.319CS..Hα-helixtrans-63.8-49.2175.4-177.2-162.870.100111.3F81 D82 R83 F84 D88 L89 L90 Y544 E548 F551F81-M86 HydrophobicContact CE2-CB 4.19Å; F81-M86 HydrophobicContact CE2-SD 3.99Å; F81-M86 HydrophobicContact CZ-CB 4.22Å; F81-M86 HydrophobicContact CZ-CE 4.08Å; F81-M86 HydrophobicContact CZ-SD 3.8Å; D82-M86 PolarHBondContact O-N 3.48Å; R83-M86 PolarHBondContact O-N 3.21Å; F84-M86 VanDerWaalsContact C-N 3.35Å; M86-D88 VanDerWaalsContact C-N 3.33Å; M86-D88 PolarHBondContact O-N 2.8Å; M86-L89 WeakPolarHBondContact O-CB 3.47Å; M86-L89 PolarHBondContact O-N 3.34Å; M86-L90 HydrophobicContact CE-CD1 4.24Å; M86-L90 HydrophobicContact CG-CD1 4.09Å; M86-L90 HydrophobicContact CG-CG 4.39Å; M86-L90 VanDerWaalsContact O-CG 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.48Å; M86-L90 PolarHBondContact O-N 2.81Å; M86-L90 HydrophobicContact SD-CD1 4.42Å; M86-Y544 HydrophobicContact CE-CE2 4.12Å; M86-E548 HydrophobicContact CE-CB 4.39Å; M86-E548 WeakPolarHBondContact SD-CA 3.49Å; M86-E548 HydrophobicContact SD-CB 3.8Å; M86-E548 HydrophobicContact SD-CG 4.2Å; M86-F551 VanDerWaalsContact CA-CE2 3.48Å; M86-F551 HydrophobicContact CB-CB 4.45Å; M86-F551 HydrophobicContact CB-CD1 4.12Å; M86-F551 HydrophobicContact CB-CD2 3.72Å; M86-F551 HydrophobicContact CB-CE1 4.26Å; M86-F551 HydrophobicContact CB-CE2 3.86Å; M86-F551 HydrophobicContact CB-CG 3.84Å; M86-F551 HydrophobicContact CB-CZ 4.13Å; M86-F551 HydrophobicContact CG-CB 4.06Å; M86-F551 HydrophobicContact CG-CD2 3.73Å; M86-F551 HydrophobicContact CG-CE2 4.31Å; M86-F551 HydrophobicContact CG-CG 3.9Å; M86-F551 HydrophobicContact SD-CB 4.3Å
87E94.8Very high87Confident66 Ų6665.7 Ų65.731%0.30831%0.308SS..Hα-helixtrans-60.7-41.1178.6-73174.7174.700111.7R83 F84 L90 K91R83-E87 WeakPolarHBondContact CD-OE1 3.3Å; R83-E87 HydrophobicContact CG-CG 4.23Å; R83-E87 WeakPolarHBondContact CG-OE1 3.29Å; R83-E87 IonicContact NE-OE1 2.96Å; R83-E87 WeakPolarHBondContact O-CG 3.1Å; R83-E87 PolarHBondContact O-N 2.96Å; F84-E87 PolarHBondContact O-N 2.85Å; E87-L90 PolarHBondContact O-N 2.97Å; E87-K91 WeakPolarHBondContact O-CB 3.26Å; E87-K91 PolarHBondContact O-N 3.32Å
88D95.4Very high89.3Confident88 Ų8863.9 Ų63.947%0.47130%0.3SS..Hα-helixtrans-59.4-48.9172.1178.179.2000111.6F84 M86 L90 K91 R92F84-D88 WeakPolarHBondContact O-CB 3.44Å; F84-D88 PolarHBondContact O-N 2.65Å; M86-D88 VanDerWaalsContact C-N 3.33Å; M86-D88 PolarHBondContact O-N 2.8Å; D88-L90 PolarHBondContact O-N 3.38Å; D88-K91 PolarHBondContact O-N 3.31Å; D88-R92 WeakPolarHBondContact O-CB 3.44Å; D88-R92 PolarHBondContact O-N 3.34Å; D88-R92 IonicContact OD2-CZ 3.84Å; D88-R92 IonicContact OD2-NE 3.05Å; D88-R92 PolarHBondContact OD2-NE 3Å; D88-R92 IonicContact OD2-NH2 3.5Å
89L97Very high91.6Very high0 Ų060.2 Ų60.20%028%0.281CS..Hα-helixtrans-57.1-49.6178.9175.664.8000111K85 M86 K91 R92 R93 F551 L563 E621K85-L89 WeakPolarHBondContact O-CB 3.41Å; K85-L89 PolarHBondContact O-N 2.9Å; M86-L89 WeakPolarHBondContact O-CB 3.47Å; M86-L89 PolarHBondContact O-N 3.34Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.44Å; L89-R92 PolarHBondContact O-N 2.73Å; L89-R93 HydrophobicContact CD1-CG 3.8Å; L89-R93 VanDerWaalsContact O-CB 3.27Å; L89-R93 WeakPolarHBondContact O-CB 3.45Å; L89-R93 WeakPolarHBondContact O-CG 3.44Å; L89-R93 PolarHBondContact O-N 3.05Å; L89-F551 HydrophobicContact CB-CE2 4.4Å; L89-F551 HydrophobicContact CD2-CD2 4.05Å; L89-F551 HydrophobicContact CD2-CE2 3.84Å; L89-L563 HydrophobicContact CD2-CG 4.2Å; L89-E621 HydrophobicContact CD1-CB 3.79Å; L89-E621 HydrophobicContact CD1-CG 3.7Å
90L97.4Very high93.6Very high2 Ų262 Ų621%0.0129%0.288CS..Hα-helixtrans-60.2-42.9-179.5-68.4175.4000111.5M86 E87 D88 F94 F95 Y96 C547 L563M86-L90 HydrophobicContact CE-CD1 4.24Å; M86-L90 HydrophobicContact CG-CD1 4.09Å; M86-L90 HydrophobicContact CG-CG 4.39Å; M86-L90 VanDerWaalsContact O-CG 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.48Å; M86-L90 PolarHBondContact O-N 2.81Å; M86-L90 HydrophobicContact SD-CD1 4.42Å; E87-L90 PolarHBondContact O-N 2.97Å; D88-L90 PolarHBondContact O-N 3.38Å; L90-F94 PolarHBondContact O-N 3.47Å; L90-F95 HydrophobicContact CB-CB 4.24Å; L90-F95 HydrophobicContact CD2-CB 3.84Å; L90-F95 HydrophobicContact CD2-CD1 3.95Å; L90-F95 HydrophobicContact CD2-CD2 3.68Å; L90-F95 HydrophobicContact CD2-CE1 4.43Å; L90-F95 HydrophobicContact CD2-CE2 4.19Å; L90-F95 HydrophobicContact CD2-CG 3.55Å; L90-F95 PolarHBondContact O-N 2.95Å; L90-Y96 HydrophobicContact CD1-CE1 3.94Å; L90-C547 HydrophobicContact CD1-CB 4.18Å; L90-C547 HydrophobicContact CD2-CB 4.22Å; L90-L563 HydrophobicContact CD2-CD1 3.86Å
91K95.9Very high94.8Very high118 Ų11859.2 Ų59.251%0.51327%0.271SS..Hα-helixtrans-68.4-51177.7-175172.7-176.3157.90112.1E87 D88 L89 R93 F94 D97E87-K91 WeakPolarHBondContact O-CB 3.26Å; E87-K91 PolarHBondContact O-N 3.32Å; D88-K91 PolarHBondContact O-N 3.31Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.44Å; K91-R93 PolarHBondContact O-N 2.95Å; K91-F94 WeakPolarHBondContact O-CA 3.12Å; K91-F94 PolarHBondContact O-N 3.43Å; K91-D97 WeakPolarHBondContact CE-OD1 3.33Å; K91-D97 WeakPolarHBondContact CE-OD2 3.28Å; K91-D97 IonicContact NZ-OD1 3.77Å; K91-D97 PolarHBondContact NZ-OD1 2.93Å; K91-D97 IonicContact NZ-OD2 3.5Å
92R96.6Very high95.2Very high101 Ų10162.5 Ų62.538%0.38129%0.291SS..Hα-helixtrans-64.3-25.1-178.5-177.7169.552.184.24.7113.1D88 L89 E621D88-R92 WeakPolarHBondContact O-CB 3.44Å; D88-R92 PolarHBondContact O-N 3.34Å; D88-R92 IonicContact OD2-CZ 3.84Å; D88-R92 IonicContact OD2-NE 3.05Å; D88-R92 PolarHBondContact OD2-NE 3Å; D88-R92 IonicContact OD2-NH2 3.5Å; L89-R92 PolarHBondContact O-N 2.73Å; R92-E621 IonicContact CZ-OE1 3.48Å; R92-E621 IonicContact NH1-OE1 2.78Å; R92-E621 PolarHBondContact NH1-OE1 3.08Å; R92-E621 IonicContact NH1-OE2 3.87Å; R92-E621 IonicContact NH2-OE1 2.84Å; R92-E621 PolarHBondContact NH2-OE1 2.71Å
93R97Very high95.5Very high63 Ų6369.2 Ų69.224%0.23831%0.313CS..THydrogen-bonded Turntrans-1014.5173.8-63.4-66.5168.1-1089.7113.6L89 K91 F95 V115 E621 I622L89-R93 HydrophobicContact CD1-CG 3.8Å; L89-R93 VanDerWaalsContact O-CB 3.27Å; L89-R93 WeakPolarHBondContact O-CB 3.45Å; L89-R93 WeakPolarHBondContact O-CG 3.44Å; L89-R93 PolarHBondContact O-N 3.05Å; K91-R93 PolarHBondContact O-N 2.95Å; R93-F95 HydrophobicContact CB-CD2 4.03Å; R93-F95 HydrophobicContact CB-CE2 3.96Å; R93-F95 PolarHBondContact O-N 3.08Å; R93-V115 WeakPolarHBondContact O-CG2 3.41Å; R93-E621 HydrophobicContact CG-CB 4.23Å; R93-E621 IonicContact CZ-OE2 3.55Å; R93-E621 IonicContact NE-OE1 2.65Å; R93-E621 IonicContact NE-OE2 2.73Å; R93-E621 PolarHBondContact NE-OE2 3.2Å; R93-E621 IonicContact NH2-OE1 3.01Å; R93-E621 PolarHBondContact NH2-OE1 3.42Å; R93-E621 IonicContact NH2-OE2 3.85Å; R93-E621 PolarHBondContact NH2-OE2 2.91Å; R93-I622 HydrophobicContact CB-CG2 3.93Å; R93-I622 HydrophobicContact CG-CG2 4.01Å
94F96.9Very high95.5Very high96 Ų9669 Ų6942%0.42133%0.332SS..THydrogen-bonded Turntrans51.754176.1-158.9-164.8000112.9L90 K91 D97 G113L90-F94 PolarHBondContact O-N 3.47Å; K91-F94 WeakPolarHBondContact O-CA 3.12Å; K91-F94 PolarHBondContact O-N 3.43Å; F94-D97 HydrophobicContact CE2-CB 4.41Å; F94-G113 CarbonylContact O-C 3.2Å; F94-G113 WeakPolarHBondContact O-CA 3.49Å
95F98.1Very high95.4Very high0 Ų062.9 Ų62.90%031%0.31CS..SBendtrans-69.2-57.1163-80.3-102.4000109L90 R93 Y112 G113 V115 G116 M119 L563 P571L90-F95 HydrophobicContact CB-CB 4.24Å; L90-F95 HydrophobicContact CD2-CB 3.84Å; L90-F95 HydrophobicContact CD2-CD1 3.95Å; L90-F95 HydrophobicContact CD2-CD2 3.68Å; L90-F95 HydrophobicContact CD2-CE1 4.43Å; L90-F95 HydrophobicContact CD2-CE2 4.19Å; L90-F95 HydrophobicContact CD2-CG 3.55Å; L90-F95 PolarHBondContact O-N 2.95Å; R93-F95 HydrophobicContact CB-CD2 4.03Å; R93-F95 HydrophobicContact CB-CE2 3.96Å; R93-F95 PolarHBondContact O-N 3.08Å; F95-Y112 WeakPolarHBondContact O-CA 3.43Å; F95-G113 PolarHBondContact O-N 2.75Å; F95-V115 HydrophobicContact CD1-CG1 3.95Å; F95-V115 HydrophobicContact CD2-CB 4.36Å; F95-V115 HydrophobicContact CD2-CG1 4.03Å; F95-V115 HydrophobicContact CE1-CG1 3.51Å; F95-V115 HydrophobicContact CE2-CB 4.36Å; F95-V115 HydrophobicContact CE2-CG1 3.61Å; F95-V115 HydrophobicContact CG-CB 4.45Å; F95-V115 HydrophobicContact CG-CG1 4.19Å; F95-V115 HydrophobicContact CZ-CB 4.42Å; F95-V115 HydrophobicContact CZ-CG1 3.3Å; F95-G116 VanDerWaalsContact O-CA 3.29Å; F95-G116 WeakPolarHBondContact O-CA 3.24Å; F95-M119 HydrophobicContact CD1-SD 4.14Å; F95-M119 HydrophobicContact CE1-SD 4.04Å; F95-L563 HydrophobicContact CE1-CD1 3.75Å; F95-L563 HydrophobicContact CE2-CD1 3.95Å; F95-L563 HydrophobicContact CZ-CD1 3.41Å; F95-L563 VanDerWaalsContact CZ-CD1 3.41Å; F95-P571 HydrophobicContact CE1-CG 4.27Å
96Y96.9Very high95.3Very high19 Ų1964 Ų648%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-152.1155.516960.6-90.2000109.9L90 Y110 D111 L298 M543L90-Y96 HydrophobicContact CD1-CE1 3.94Å; Y96-Y110 AromaticContact CD2-CD1 3.96Å; Y96-Y110 HydrophobicContact CD2-CD1 3.96Å; Y96-Y110 HydrophobicContact CD2-CE1 4.45Å; Y96-D111 CarbonylContact C-O 3.57Å; Y96-D111 WeakPolarHBondContact CA-O 3.38Å; Y96-D111 WeakPolarHBondContact CB-O 3.26Å; Y96-L298 HydrophobicContact CD1-CD1 3.53Å; Y96-L298 HydrophobicContact CD1-CG 4.13Å; Y96-L298 HydrophobicContact CD2-CD1 4.23Å; Y96-L298 HydrophobicContact CD2-CD2 4.06Å; Y96-L298 HydrophobicContact CD2-CG 3.93Å; Y96-L298 HydrophobicContact CE1-CD1 3.59Å; Y96-L298 HydrophobicContact CE1-CG 4.03Å; Y96-L298 HydrophobicContact CE2-CD1 4.28Å; Y96-L298 HydrophobicContact CE2-CD2 4.38Å; Y96-L298 HydrophobicContact CE2-CG 3.83Å; Y96-L298 HydrophobicContact CG-CD1 3.87Å; Y96-L298 HydrophobicContact CG-CD2 4.23Å; Y96-L298 HydrophobicContact CG-CG 4.08Å; Y96-M543 HydrophobicContact CD1-CE 3.92Å; Y96-M543 HydrophobicContact CE1-CE 4.36Å
97D95.1Very high95.1Very high41 Ų4166.1 Ų66.122%0.21934%0.336CS..EExtended strand (participates in β ladder)trans-147.2166.6170.9-162.913.8000109.4K91 F94 S99 Y110 D111K91-D97 WeakPolarHBondContact CE-OD1 3.33Å; K91-D97 WeakPolarHBondContact CE-OD2 3.28Å; K91-D97 IonicContact NZ-OD1 3.77Å; K91-D97 PolarHBondContact NZ-OD1 2.93Å; K91-D97 IonicContact NZ-OD2 3.5Å; F94-D97 HydrophobicContact CE2-CB 4.41Å; D97-S99 PolarHBondContact O-N 3.22Å; D97-Y110 CarbonylContact O-C 3.59Å; D97-Y110 WeakPolarHBondContact O-CA 3.37Å; D97-D111 PolarHBondContact N-O 2.75Å; D97-D111 PolarHBondContact O-N 3.46Å
98Q95.2Very high95.1Very high61 Ų6163 Ų6329%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-62.6129.1-179.6-171.1174.730.600111.3S101 I106Q98-S101 PolarHBondContact O-N 3.34Å; Q98-I106 PolarHBondContact NE2-O 3.01Å; Q98-I106 VanDerWaalsContact NE2-O 3.07Å
99S95.9Very high95.1Very high6 Ų660.5 Ų60.54%0.04231%0.308CS..THydrogen-bonded Turntrans-63.1146.3177.3-58.30000110.8D97 S101 G105 I106 L109 Y110 D111D97-S99 PolarHBondContact O-N 3.22Å; S99-S101 PolarHBondContact O-N 3.18Å; S99-G105 WeakPolarHBondContact O-CA 3.41Å; S99-I106 PolarHBondContact O-N 3Å; S99-L109 PolarHBondContact N-O 3.03Å; S99-L109 VanDerWaalsContact OG-C 3.32Å; S99-Y110 VanDerWaalsContact OG-CA 3.26Å; S99-Y110 WeakPolarHBondContact OG-CA 3.18Å; S99-Y110 PolarHBondContact OG-N 3.35Å; S99-Y110 VanDerWaalsContact OG-N 3.09Å; S99-D111 WeakPolarHBondContact CA-OD2 3.44Å; S99-D111 WeakPolarHBondContact CB-OD1 3.42Å; S99-D111 VanDerWaalsContact OG-CG 3.23Å; S99-D111 PolarHBondContact OG-N 3.39Å; S99-D111 VanDerWaalsContact OG-N 3.15Å; S99-D111 PolarHBondContact OG-OD1 2.97Å
100F96.4Very high95.1Very high110 Ų11063 Ų6348%0.48232%0.317SS..THydrogen-bonded Turntrans61.828179.9-39.5-73.3000114I102 Y103 G104 G105 I106 L109F100-I102 PolarHBondContact O-N 2.82Å; F100-I102 VanDerWaalsContact O-N 3.14Å; F100-Y103 CarbonylContact O-C 3.58Å; F100-Y103 WeakPolarHBondContact O-CA 3.47Å; F100-Y103 WeakPolarHBondContact O-CB 3.3Å; F100-Y103 PolarHBondContact O-N 3.14Å; F100-G104 PolarHBondContact O-N 2.98Å; F100-G105 WeakPolarHBondContact O-CA 3.49Å; F100-G105 PolarHBondContact O-N 3.47Å; F100-I106 HydrophobicContact CD2-CB 4.3Å; F100-I106 HydrophobicContact CD2-CG1 3.93Å; F100-L109 HydrophobicContact CE2-CD1 3.91Å
101S92.5Very high95.1Very high64 Ų6466.8 Ų66.845%0.44834%0.337SS..G310 helixtrans-52.4-36.2-177.457.80000114.2Q98 S99 Y103 G104Q98-S101 PolarHBondContact O-N 3.34Å; S99-S101 PolarHBondContact O-N 3.18Å; S101-Y103 PolarHBondContact O-N 3.46Å; S101-G104 PolarHBondContact O-N 3.3Å
102I94.2Very high95.1Very high148 Ų14863.6 Ų63.676%0.75932%0.322SS*.G310 helixtrans-66.7-17.917667.1172.5000113.8F100F100-I102 PolarHBondContact O-N 2.82Å; F100-I102 VanDerWaalsContact O-N 3.14Å
103Y95.5Very high95.2Very high199 Ų19958.9 Ų58.978%0.7831%0.306SS*.G310 helixtrans-101.813.8173.7-66.5-78.4000112.4F100 S101F100-Y103 CarbonylContact O-C 3.58Å; F100-Y103 WeakPolarHBondContact O-CA 3.47Å; F100-Y103 WeakPolarHBondContact O-CB 3.3Å; F100-Y103 PolarHBondContact O-N 3.14Å; S101-Y103 PolarHBondContact O-N 3.46Å
104G91.3Very high95.2Very high65 Ų6559.7 Ų59.767%0.6732%0.319SS*.THydrogen-bonded Turntrans94.3-5.3-177.300000114.6F100 S101F100-G104 PolarHBondContact O-N 2.98Å; S101-G104 PolarHBondContact O-N 3.3Å
105G91.1Very high95.3Very high15 Ų1555.8 Ų55.816%0.15530%0.303CS..  trans74.9154.1177.500000114.2S99 F100S99-G105 WeakPolarHBondContact O-CA 3.41Å; F100-G105 WeakPolarHBondContact O-CA 3.49Å; F100-G105 PolarHBondContact O-N 3.47Å
106I92Very high95.3Very high82 Ų8255.8 Ų55.842%0.42130%0.303SS..  trans-117.6127.5173.3-58.5-63.7000109.2Q98 S99 F100 G108 L109Q98-I106 PolarHBondContact NE2-O 3.01Å; Q98-I106 VanDerWaalsContact NE2-O 3.07Å; S99-I106 PolarHBondContact O-N 3Å; F100-I106 HydrophobicContact CD2-CB 4.3Å; F100-I106 HydrophobicContact CD2-CG1 3.93Å; I106-G108 PolarHBondContact O-N 3.12Å; I106-L109 HydrophobicContact CB-CD1 4.02Å; I106-L109 HydrophobicContact CB-CG 4.49Å; I106-L109 HydrophobicContact CG2-CD1 3.72Å; I106-L109 HydrophobicContact CG2-CG 4.15Å; I106-L109 PolarHBondContact O-N 3.2Å
107A91.6Very high95.4Very high45 Ų4557.9 Ų57.937%0.37232%0.32SS..THydrogen-bonded Turntrans-61.7135.7-179.300000111.2L109 P294 R302A107-L109 VanDerWaalsContact C-N 3.31Å; A107-L109 PolarHBondContact O-N 3.43Å; A107-P294 HydrophobicContact CB-CG 4.1Å; A107-R302 PolarHBondContact O-NH1 3.48Å
108G94.4Very high95.5Very high0 Ų057.1 Ų57.10%032%0.319CS..THydrogen-bonded Turntrans803179.800000116.1I106 V301 R302I106-G108 PolarHBondContact O-N 3.12Å; G108-V301 WeakPolarHBondContact O-CA 3.25Å; G108-V301 VanDerWaalsContact O-CB 3.32Å; G108-V301 WeakPolarHBondContact O-CB 3.44Å; G108-R302 PolarHBondContact O-N 3.43Å
109L96.4Very high95.7Very high36 Ų3654.2 Ų54.219%0.18831%0.305CS..  trans-114.9129.5173.3-59.9-179.7000108.7S99 F100 I106 A107 R302 E303S99-L109 PolarHBondContact N-O 3.03Å; S99-L109 VanDerWaalsContact OG-C 3.32Å; F100-L109 HydrophobicContact CE2-CD1 3.91Å; I106-L109 HydrophobicContact CB-CD1 4.02Å; I106-L109 HydrophobicContact CB-CG 4.49Å; I106-L109 HydrophobicContact CG2-CD1 3.72Å; I106-L109 HydrophobicContact CG2-CG 4.15Å; I106-L109 PolarHBondContact O-N 3.2Å; A107-L109 VanDerWaalsContact C-N 3.31Å; A107-L109 PolarHBondContact O-N 3.43Å; L109-R302 HydrophobicContact CD2-CB 3.91Å; L109-E303 HydrophobicContact CD2-CB 4.05Å
110Y96.6Very high95.8Very high53 Ų5355.8 Ų55.821%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-137136-173.3-67.5-88.7000111.9Y96 D97 S99 G297 L298 V301Y96-Y110 AromaticContact CD2-CD1 3.96Å; Y96-Y110 HydrophobicContact CD2-CD1 3.96Å; Y96-Y110 HydrophobicContact CD2-CE1 4.45Å; D97-Y110 CarbonylContact O-C 3.59Å; D97-Y110 WeakPolarHBondContact O-CA 3.37Å; S99-Y110 VanDerWaalsContact OG-CA 3.26Å; S99-Y110 WeakPolarHBondContact OG-CA 3.18Å; S99-Y110 PolarHBondContact OG-N 3.35Å; S99-Y110 VanDerWaalsContact OG-N 3.09Å; Y110-G297 WeakPolarHBondContact CE2-O 3.39Å; Y110-G297 WeakPolarHBondContact OH-CA 3.22Å; Y110-G297 PolarHBondContact OH-N 3.29Å; Y110-G297 PolarHBondContact OH-O 3.23Å; Y110-L298 HydrophobicContact CD1-CD2 4.38Å; Y110-L298 HydrophobicContact CD2-CD2 3.97Å; Y110-L298 HydrophobicContact CG-CD2 3.8Å; Y110-V301 HydrophobicContact CD2-CG1 3.66Å; Y110-V301 HydrophobicContact CE2-CG1 3.68Å
111D96.8Very high95.9Very high80 Ų8053.1 Ų53.143%0.42831%0.31SS..EExtended strand (participates in β ladder)trans-94.5134.2171.9-63-24.7000108.7Y96 D97 S99Y96-D111 CarbonylContact C-O 3.57Å; Y96-D111 WeakPolarHBondContact CA-O 3.38Å; Y96-D111 WeakPolarHBondContact CB-O 3.26Å; D97-D111 PolarHBondContact N-O 2.75Å; D97-D111 PolarHBondContact O-N 3.46Å; S99-D111 WeakPolarHBondContact CA-OD2 3.44Å; S99-D111 WeakPolarHBondContact CB-OD1 3.42Å; S99-D111 VanDerWaalsContact OG-CG 3.23Å; S99-D111 PolarHBondContact OG-N 3.39Å; S99-D111 VanDerWaalsContact OG-N 3.15Å; S99-D111 PolarHBondContact OG-OD1 2.97Å
112Y97.7Very high96.1Very high51 Ų5151.8 Ų51.820%0.230%0.298CS..EExtended strand (participates in β ladder)trans-89.2125.2171.6-67.1-107000108.2F95 C117 K120 L298 M543F95-Y112 WeakPolarHBondContact O-CA 3.43Å; Y112-C117 PolarHBondContact O-SG 3.46Å; Y112-C117 VanDerWaalsContact O-SG 3.33Å; Y112-K120 HydrophobicContact CD1-CD 4.14Å; Y112-K120 HydrophobicContact CE1-CD 3.91Å; Y112-L298 HydrophobicContact CE1-CD1 4.24Å; Y112-M543 HydrophobicContact CD1-CE 3.91Å; Y112-M543 HydrophobicContact CD1-SD 4.34Å; Y112-M543 HydrophobicContact CE1-CE 3.34Å; Y112-M543 HydrophobicContact CE1-SD 3.91Å
113G97.7Very high96.3Very high3 Ų344.8 Ų44.83%0.03126%0.262CS..  trans-81.1-179.2174.200000112.1F94 F95 V115 G116 C117F94-G113 CarbonylContact O-C 3.2Å; F94-G113 WeakPolarHBondContact O-CA 3.49Å; F95-G113 PolarHBondContact O-N 2.75Å; G113-V115 PolarHBondContact O-N 2.92Å; G113-V115 VanDerWaalsContact O-N 3.11Å; G113-G116 PolarHBondContact O-N 2.98Å; G113-G116 VanDerWaalsContact O-N 3.08Å; G113-C117 WeakPolarHBondContact O-CB 3.36Å; G113-C117 PolarHBondContact O-N 3.3Å; G113-C117 PolarHBondContact O-SG 3.27Å
114P97.9Very high96.5Very high80 Ų8036.3 Ų36.352%0.51923%0.23SC..Hα-helixtrans-53.9-38.7-173.9-27.735000113.9A118P114-A118 PolarHBondContact O-N 2.91Å
115V97.9Very high96.8Very high13 Ų1338.7 Ų38.78%0.07922%0.223CC..Hα-helixtrans-72.1-43.8-179.4-172.60000111R93 F95 G113 A118 M119 P571 I622R93-V115 WeakPolarHBondContact O-CG2 3.41Å; F95-V115 HydrophobicContact CD1-CG1 3.95Å; F95-V115 HydrophobicContact CD2-CB 4.36Å; F95-V115 HydrophobicContact CD2-CG1 4.03Å; F95-V115 HydrophobicContact CE1-CG1 3.51Å; F95-V115 HydrophobicContact CE2-CB 4.36Å; F95-V115 HydrophobicContact CE2-CG1 3.61Å; F95-V115 HydrophobicContact CG-CB 4.45Å; F95-V115 HydrophobicContact CG-CG1 4.19Å; F95-V115 HydrophobicContact CZ-CB 4.42Å; F95-V115 HydrophobicContact CZ-CG1 3.3Å; G113-V115 PolarHBondContact O-N 2.92Å; G113-V115 VanDerWaalsContact O-N 3.11Å; V115-A118 PolarHBondContact O-N 3.42Å; V115-M119 PolarHBondContact O-N 3.47Å; V115-P571 HydrophobicContact CG1-CB 3.74Å; V115-P571 HydrophobicContact CG1-CG 3.39Å; V115-I622 HydrophobicContact CG1-CB 4.11Å; V115-I622 HydrophobicContact CG1-CG2 4.47Å; V115-I622 HydrophobicContact CG2-CB 4.33Å; V115-I622 HydrophobicContact CG2-CG2 4.06Å
116G98Very high97.1Very high0 Ų038.2 Ų38.20%022%0.217CC..Hα-helixtrans-70.6-36.4177.900000113.3F95 G113 A118 M119 K120F95-G116 VanDerWaalsContact O-CA 3.29Å; F95-G116 WeakPolarHBondContact O-CA 3.24Å; G113-G116 PolarHBondContact O-N 2.98Å; G113-G116 VanDerWaalsContact O-N 3.08Å; G116-A118 PolarHBondContact O-N 3.1Å; G116-M119 PolarHBondContact O-N 3.41Å; G116-K120 VanDerWaalsContact O-CB 3.24Å; G116-K120 WeakPolarHBondContact O-CB 3.31Å; G116-K120 PolarHBondContact O-N 3.04Å
117C98.4Very high97.4Very high64 Ų6434.3 Ų34.343%0.43220%0.198SC..Hα-helixtrans-57.9-48172.3-77.10000111.2Y112 G113 K120 A121Y112-C117 PolarHBondContact O-SG 3.46Å; Y112-C117 VanDerWaalsContact O-SG 3.33Å; G113-C117 WeakPolarHBondContact O-CB 3.36Å; G113-C117 PolarHBondContact O-N 3.3Å; G113-C117 PolarHBondContact O-SG 3.27Å; C117-K120 PolarHBondContact O-N 3.24Å; C117-A121 VanDerWaalsContact O-CB 3.29Å; C117-A121 WeakPolarHBondContact O-CB 3.39Å; C117-A121 PolarHBondContact O-N 3.05Å
118A98.2Very high97.7Very high24 Ų2435.9 Ų35.920%0.19819%0.194CC..Hα-helixtrans-65.4-43.517800000112.1P114 V115 G116 A121 N122 P571P114-A118 PolarHBondContact O-N 2.91Å; V115-A118 PolarHBondContact O-N 3.42Å; G116-A118 PolarHBondContact O-N 3.1Å; A118-A121 PolarHBondContact O-N 3.08Å; A118-N122 PolarHBondContact O-N 2.52Å; A118-N122 PolarHBondContact O-ND2 2.9Å; A118-N122 VanDerWaalsContact O-ND2 3.09Å; A118-P571 HydrophobicContact CB-CB 3.95Å
119M98.3Very high97.8Very high0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-58.3-50.7174.7-174.9177.7178.400111.9F95 V115 G116 A121 N122 I123 M543 V546 L565 P571F95-M119 HydrophobicContact CD1-SD 4.14Å; F95-M119 HydrophobicContact CE1-SD 4.04Å; V115-M119 PolarHBondContact O-N 3.47Å; G116-M119 PolarHBondContact O-N 3.41Å; M119-A121 VanDerWaalsContact C-N 3.35Å; M119-A121 PolarHBondContact O-N 3.04Å; M119-N122 PolarHBondContact O-N 3.1Å; M119-I123 HydrophobicContact CE-CD1 4.08Å; M119-I123 HydrophobicContact CG-CD1 4.05Å; M119-I123 WeakPolarHBondContact O-CG1 3.36Å; M119-I123 PolarHBondContact O-N 3.09Å; M119-M543 HydrophobicContact CE-CG 3.67Å; M119-M543 HydrophobicContact CG-CG 4.3Å; M119-M543 HydrophobicContact CG-SD 4.33Å; M119-M543 HydrophobicContact SD-CG 3.73Å; M119-M543 HydrophobicContact SD-SD 4.09Å; M119-V546 HydrophobicContact CE-CB 4.33Å; M119-V546 HydrophobicContact CE-CG1 3.76Å; M119-L565 HydrophobicContact CE-CD1 3.75Å; M119-L565 HydrophobicContact CE-CD2 3.77Å; M119-L565 HydrophobicContact CE-CG 4.47Å; M119-L565 HydrophobicContact CG-CD1 4.37Å; M119-L565 HydrophobicContact SD-CD1 3.83Å; M119-P571 HydrophobicContact CB-CG 4.2Å
120K98.5Very high97.9Very high39 Ų3940.8 Ų40.817%0.1721%0.21CC..Hα-helixtrans-60.3-44179.1-178.6179.3178.2-179.50111.5Y112 G116 C117 N122 I123 I124 T305 I539 M543Y112-K120 HydrophobicContact CD1-CD 4.14Å; Y112-K120 HydrophobicContact CE1-CD 3.91Å; G116-K120 VanDerWaalsContact O-CB 3.24Å; G116-K120 WeakPolarHBondContact O-CB 3.31Å; G116-K120 PolarHBondContact O-N 3.04Å; C117-K120 PolarHBondContact O-N 3.24Å; K120-N122 VanDerWaalsContact C-N 3.33Å; K120-N122 PolarHBondContact O-N 3.27Å; K120-I123 PolarHBondContact O-N 3.26Å; K120-I124 HydrophobicContact CG-CD1 3.92Å; K120-I124 WeakPolarHBondContact O-CG1 3.39Å; K120-I124 PolarHBondContact O-N 3.15Å; K120-T305 WeakPolarHBondContact CE-OG1 3.31Å; K120-T305 PolarHBondContact NZ-OG1 2.83Å; K120-I539 HydrophobicContact CG-CG2 4.26Å; K120-M543 HydrophobicContact CB-SD 4.34Å
121A98.3Very high98Very high55 Ų5538.2 Ų38.246%0.45520%0.2SC..Hα-helixtrans-60.1-43176.200000111.7C117 A118 M119 I124 Q125C117-A121 VanDerWaalsContact O-CB 3.29Å; C117-A121 WeakPolarHBondContact O-CB 3.39Å; C117-A121 PolarHBondContact O-N 3.05Å; A118-A121 PolarHBondContact O-N 3.08Å; M119-A121 VanDerWaalsContact C-N 3.35Å; M119-A121 PolarHBondContact O-N 3.04Å; A121-I124 PolarHBondContact O-N 3.48Å; A121-Q125 WeakPolarHBondContact O-CB 3.39Å; A121-Q125 PolarHBondContact O-N 2.73Å
122N98.1Very high98Very high36 Ų3635.3 Ų35.319%0.19319%0.185CC..Hα-helixtrans-66.1-40.9177.2-66.3-32.8000112.6A118 M119 K120 Q125 L126 V569 A570 K573A118-N122 PolarHBondContact O-N 2.52Å; A118-N122 PolarHBondContact O-ND2 2.9Å; A118-N122 VanDerWaalsContact O-ND2 3.09Å; M119-N122 PolarHBondContact O-N 3.1Å; K120-N122 VanDerWaalsContact C-N 3.33Å; K120-N122 PolarHBondContact O-N 3.27Å; N122-Q125 PolarHBondContact O-N 3.02Å; N122-L126 WeakPolarHBondContact O-CB 3.28Å; N122-L126 PolarHBondContact O-N 3.33Å; N122-V569 PolarHBondContact ND2-O 3.26Å; N122-A570 PolarHBondContact ND2-O 3.34Å; N122-K573 PolarHBondContact ND2-NZ 2.89Å
123I98.6Very high98Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-61.1-47.8175.2-70.7169.2000110.5M119 K120 Q125 L126 W127 F374 V378 I539 M543 V569M119-I123 HydrophobicContact CE-CD1 4.08Å; M119-I123 HydrophobicContact CG-CD1 4.05Å; M119-I123 WeakPolarHBondContact O-CG1 3.36Å; M119-I123 PolarHBondContact O-N 3.09Å; K120-I123 PolarHBondContact O-N 3.26Å; I123-Q125 VanDerWaalsContact C-N 3.35Å; I123-Q125 PolarHBondContact O-N 3.17Å; I123-L126 PolarHBondContact O-N 2.88Å; I123-W127 WeakPolarHBondContact O-CB 3.41Å; I123-W127 PolarHBondContact O-N 2.88Å; I123-F374 HydrophobicContact CG2-CZ 4.09Å; I123-V378 HydrophobicContact CG1-CG1 4.45Å; I123-V378 HydrophobicContact CG2-CG1 4.32Å; I123-I539 HydrophobicContact CG2-CG2 4.38Å; I123-M543 HydrophobicContact CD1-CB 4.29Å; I123-M543 HydrophobicContact CD1-CG 4.03Å; I123-V569 HydrophobicContact CG1-CB 4.11Å; I123-V569 HydrophobicContact CG1-CG1 3.77Å
124I98.7Very high97.9Very high22 Ų2243.3 Ų43.311%0.11323%0.226CC..Hα-helixtrans-63.6-41.8178.9-69.7170.7000110.7K120 A121 L126 W127 R128 I284 T305 I539K120-I124 HydrophobicContact CG-CD1 3.92Å; K120-I124 WeakPolarHBondContact O-CG1 3.39Å; K120-I124 PolarHBondContact O-N 3.15Å; A121-I124 PolarHBondContact O-N 3.48Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.4Å; I124-W127 WeakPolarHBondContact O-CB 3.26Å; I124-W127 PolarHBondContact O-N 2.89Å; I124-R128 WeakPolarHBondContact O-CG 3.21Å; I124-R128 PolarHBondContact O-N 3.15Å; I124-I284 HydrophobicContact CD1-CG2 4.33Å; I124-I284 HydrophobicContact CG2-CD1 3.88Å; I124-I284 HydrophobicContact CG2-CG2 4.1Å; I124-T305 HydrophobicContact CD1-CG2 4.2Å; I124-I539 HydrophobicContact CG1-CG2 4.38Å
125Q97.6Very high97.8Very high114 Ų11440.8 Ų40.853%0.53321%0.208SC..Hα-helixtrans-65.1-39.2177.7-175.557.227.900112A121 N122 I123 W127 R128 R129A121-Q125 WeakPolarHBondContact O-CB 3.39Å; A121-Q125 PolarHBondContact O-N 2.73Å; N122-Q125 PolarHBondContact O-N 3.02Å; I123-Q125 VanDerWaalsContact C-N 3.35Å; I123-Q125 PolarHBondContact O-N 3.17Å; Q125-W127 VanDerWaalsContact C-N 3.33Å; Q125-R128 PolarHBondContact O-N 3.19Å; Q125-R129 PolarHBondContact O-N 3.06Å
126L97.2Very high97.8Very high5 Ų544.9 Ų44.93%0.02624%0.237CC..Hα-helixtrans-63.5-41.5172.7179.158.1000111.1N122 I123 I124 R129 H130 F374 M377 V378 V568 V569N122-L126 WeakPolarHBondContact O-CB 3.28Å; N122-L126 PolarHBondContact O-N 3.33Å; I123-L126 PolarHBondContact O-N 2.88Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.4Å; L126-R129 PolarHBondContact O-N 2.96Å; L126-H130 WeakPolarHBondContact O-CB 3.28Å; L126-H130 PolarHBondContact O-N 2.93Å; L126-F374 HydrophobicContact CB-CE2 4.49Å; L126-F374 HydrophobicContact CD2-CE2 4.46Å; L126-F374 HydrophobicContact CG-CD2 4.38Å; L126-F374 HydrophobicContact CG-CE2 4.16Å; L126-M377 HydrophobicContact CD2-CB 4.09Å; L126-V378 HydrophobicContact CD2-CG1 3.82Å; L126-V568 HydrophobicContact CD1-CG2 4.14Å; L126-V568 HydrophobicContact CD2-CG1 3.99Å; L126-V568 HydrophobicContact CD2-CG2 4.19Å; L126-V569 HydrophobicContact CD2-CG1 4.08Å
127W98.6Very high97.8Very high1 Ų145.4 Ų45.40%0.00424%0.24CC..Hα-helixtrans-61.1-47175.8-170.897.6000111.5I123 I124 Q125 R129 H130 F131 I132 A282 I284 A307 V309 F374 F537I123-W127 WeakPolarHBondContact O-CB 3.41Å; I123-W127 PolarHBondContact O-N 2.88Å; I124-W127 WeakPolarHBondContact O-CB 3.26Å; I124-W127 PolarHBondContact O-N 2.89Å; Q125-W127 VanDerWaalsContact C-N 3.33Å; W127-R129 VanDerWaalsContact C-N 3.35Å; W127-R129 PolarHBondContact O-N 3.2Å; W127-H130 PolarHBondContact O-N 2.7Å; W127-H130 VanDerWaalsContact O-N 3.16Å; W127-F131 AromaticContact CD1-CD2 3.45Å; W127-F131 VanDerWaalsContact CD1-CD2 3.45Å; W127-F131 AromaticContact CD1-CE2 3.43Å; W127-F131 VanDerWaalsContact CD1-CE2 3.43Å; W127-F131 AromaticContact CD2-CD2 3.72Å; W127-F131 HydrophobicContact CD2-CD2 3.72Å; W127-F131 HydrophobicContact CD2-CE2 4.45Å; W127-F131 AromaticContact CE2-CD2 3.49Å; W127-F131 VanDerWaalsContact CE2-CD2 3.49Å; W127-F131 AromaticContact CG-CD2 3.71Å; W127-F131 HydrophobicContact CG-CD2 3.71Å; W127-F131 HydrophobicContact CG-CE2 4.11Å; W127-F131 HydrophobicContact CZ2-CB 4.42Å; W127-F131 HydrophobicContact CZ2-CD2 4.17Å; W127-F131 HydrophobicContact CZ2-CG 4.41Å; W127-F131 AromaticContact NE1-CD2 3.31Å; W127-F131 VanDerWaalsContact NE1-CD2 3.31Å; W127-F131 AromaticContact NE1-CE2 3.36Å; W127-F131 WeakPolarHBondContact O-CD2 3.43Å; W127-F131 PolarHBondContact O-N 3.12Å; W127-I132 HydrophobicContact CE3-CD1 4.24Å; W127-I132 HydrophobicContact CZ3-CD1 3.55Å; W127-I132 HydrophobicContact CZ3-CG1 3.81Å; W127-A282 HydrophobicContact CH2-CB 4.04Å; W127-A282 HydrophobicContact CZ3-CB 4.35Å; W127-I284 HydrophobicContact CE3-CD1 3.74Å; W127-I284 HydrophobicContact CE3-CG1 3.98Å; W127-I284 HydrophobicContact CH2-CG1 4.5Å; W127-I284 HydrophobicContact CZ3-CD1 3.79Å; W127-I284 HydrophobicContact CZ3-CG1 3.78Å; W127-A307 HydrophobicContact CD2-CB 3.84Å; W127-A307 HydrophobicContact CE3-CB 4.17Å; W127-A307 HydrophobicContact CG-CB 4.45Å; W127-A307 HydrophobicContact CH2-CB 3.9Å; W127-A307 HydrophobicContact CZ2-CB 3.55Å; W127-A307 HydrophobicContact CZ3-CB 4.18Å; W127-V309 HydrophobicContact CH2-CG2 3.67Å; W127-V309 HydrophobicContact CZ2-CG2 3.62Å; W127-F374 HydrophobicContact CB-CE2 3.7Å; W127-F374 HydrophobicContact CB-CZ 3.86Å; W127-F374 AromaticContact CD1-CE1 3.82Å; W127-F374 AromaticContact CD1-CE2 3.98Å; W127-F374 AromaticContact CD1-CZ 3.65Å; W127-F374 HydrophobicContact CG-CE2 4.25Å; W127-F374 HydrophobicContact CG-CZ 4.18Å; W127-F537 AromaticContact CE2-CD2 3.97Å; W127-F537 AromaticContact CE2-CE2 3.92Å; W127-F537 HydrophobicContact CZ2-CD2 4.01Å; W127-F537 AromaticContact CZ2-CE2 3.92Å; W127-F537 HydrophobicContact CZ2-CE2 3.92Å; W127-F537 AromaticContact NE1-CD1 3.63Å; W127-F537 AromaticContact NE1-CD2 3.32Å; W127-F537 VanDerWaalsContact NE1-CD2 3.32Å; W127-F537 AromaticContact NE1-CE1 3.62Å; W127-F537 AromaticContact NE1-CE2 3.28Å; W127-F537 VanDerWaalsContact NE1-CE2 3.28Å; W127-F537 AromaticContact NE1-CG 3.5Å; W127-F537 AromaticContact NE1-CZ 3.44Å
128R98.5Very high97.8Very high78 Ų7843.6 Ų43.629%0.29423%0.226SC..Iπ-helixtrans-56.3-47.7174.5-73.2-162.6166.994.66111.8I124 Q125 H130 I132 L133 E139 I284I124-R128 WeakPolarHBondContact O-CG 3.21Å; I124-R128 PolarHBondContact O-N 3.15Å; Q125-R128 PolarHBondContact O-N 3.19Å; R128-H130 VanDerWaalsContact C-N 3.31Å; R128-H130 PolarHBondContact O-N 3.04Å; R128-I132 HydrophobicContact CG-CD1 4.09Å; R128-I132 WeakPolarHBondContact O-CA 3.19Å; R128-I132 WeakPolarHBondContact O-CB 3.38Å; R128-I132 PolarHBondContact O-N 2.85Å; R128-L133 PolarHBondContact O-N 3.19Å; R128-E139 IonicContact CZ-OE1 3.94Å; R128-E139 VanDerWaalsContact CZ-OE1 3.22Å; R128-E139 IonicContact NE-OE1 3.6Å; R128-E139 PolarHBondContact NE-OE1 3.34Å; R128-E139 IonicContact NE-OE2 3.39Å; R128-E139 PolarHBondContact NE-OE2 3.09Å; R128-E139 IonicContact NH2-OE1 2.75Å; R128-E139 PolarHBondContact NH2-OE1 3.44Å; R128-I284 HydrophobicContact CG-CD1 3.63Å
129R96.5Very high97.8Very high126 Ų12646.4 Ų46.448%0.47524%0.235SC..Iπ-helixtrans-62.5-40.8178.1-173.617868.3148.31.3111.7Q125 L126 W127 L133 E134Q125-R129 PolarHBondContact O-N 3.06Å; L126-R129 PolarHBondContact O-N 2.96Å; W127-R129 VanDerWaalsContact C-N 3.35Å; W127-R129 PolarHBondContact O-N 3.2Å; R129-L133 HydrophobicContact CG-CD2 4.23Å; R129-E134 PolarHBondContact O-N 3.27Å
130H97.1Very high97.7Very high12 Ų1248 Ų486%0.05625%0.245CC..Iπ-helixtrans-77.5-35-173.3-173.680.5000114.1L126 W127 R128 E134 R370 F374 M377L126-H130 WeakPolarHBondContact O-CB 3.28Å; L126-H130 PolarHBondContact O-N 2.93Å; W127-H130 PolarHBondContact O-N 2.7Å; W127-H130 VanDerWaalsContact O-N 3.16Å; R128-H130 VanDerWaalsContact C-N 3.31Å; R128-H130 PolarHBondContact O-N 3.04Å; H130-E134 VanDerWaalsContact O-CB 3.3Å; H130-E134 WeakPolarHBondContact O-CB 3.28Å; H130-R370 PolarHBondContact CE1-NH1 2.92Å; H130-R370 VanDerWaalsContact CE1-NH1 3.27Å; H130-R370 PolarHBondContact CE1-NH2 2.83Å; H130-R370 PolarHBondContact ND1-NH2 3.39Å; H130-R370 VanDerWaalsContact ND1-NH2 3.11Å; H130-R370 PolarHBondContact NE2-O 3.05Å; H130-R370 PolarHBondContact O-NH2 2.97Å; H130-F374 HydrophobicContact CB-CD2 4.43Å; H130-M377 WeakPolarHBondContact CE1-CE 3.18Å; H130-M377 WeakPolarHBondContact ND1-CE 3.22Å
131F98.4Very high97.7Very high0 Ų052.4 Ų52.40%027%0.27CS..Iπ-helixtrans-106.8-63.4-178.6-65.6-75.7000111.3W127 D135 M137 R370 V371 F374 F537W127-F131 AromaticContact CD1-CD2 3.45Å; W127-F131 VanDerWaalsContact CD1-CD2 3.45Å; W127-F131 AromaticContact CD1-CE2 3.43Å; W127-F131 VanDerWaalsContact CD1-CE2 3.43Å; W127-F131 AromaticContact CD2-CD2 3.72Å; W127-F131 HydrophobicContact CD2-CD2 3.72Å; W127-F131 HydrophobicContact CD2-CE2 4.45Å; W127-F131 AromaticContact CE2-CD2 3.49Å; W127-F131 VanDerWaalsContact CE2-CD2 3.49Å; W127-F131 AromaticContact CG-CD2 3.71Å; W127-F131 HydrophobicContact CG-CD2 3.71Å; W127-F131 HydrophobicContact CG-CE2 4.11Å; W127-F131 HydrophobicContact CZ2-CB 4.42Å; W127-F131 HydrophobicContact CZ2-CD2 4.17Å; W127-F131 HydrophobicContact CZ2-CG 4.41Å; W127-F131 AromaticContact NE1-CD2 3.31Å; W127-F131 VanDerWaalsContact NE1-CD2 3.31Å; W127-F131 AromaticContact NE1-CE2 3.36Å; W127-F131 WeakPolarHBondContact O-CD2 3.43Å; W127-F131 PolarHBondContact O-N 3.12Å; F131-D135 WeakPolarHBondContact O-CB 3.46Å; F131-D135 PolarHBondContact O-N 2.91Å; F131-M137 HydrophobicContact CB-CE 3.83Å; F131-M137 HydrophobicContact CB-SD 4.07Å; F131-M137 HydrophobicContact CD1-CE 4.39Å; F131-R370 HydrophobicContact CD1-CB 4.36Å; F131-R370 HydrophobicContact CE1-CB 3.62Å; F131-R370 HydrophobicContact CZ-CB 4.36Å; F131-V371 HydrophobicContact CZ-CG2 4.31Å; F131-F374 HydrophobicContact CE2-CB 3.88Å; F131-F374 HydrophobicContact CE2-CD1 4.21Å; F131-F374 HydrophobicContact CE2-CD2 4.15Å; F131-F374 AromaticContact CE2-CG 3.8Å; F131-F374 HydrophobicContact CE2-CG 3.8Å; F131-F374 HydrophobicContact CZ-CB 3.95Å; F131-F374 HydrophobicContact CZ-CG 4.33Å; F131-F537 HydrophobicContact CD2-CZ 4.33Å; F131-F537 AromaticContact CE1-CZ 3.96Å; F131-F537 HydrophobicContact CE1-CZ 3.96Å; F131-F537 AromaticContact CE2-CE1 3.82Å; F131-F537 HydrophobicContact CE2-CE1 3.82Å; F131-F537 HydrophobicContact CE2-CE2 4.31Å; F131-F537 AromaticContact CE2-CZ 3.49Å; F131-F537 HydrophobicContact CE2-CZ 3.49Å; F131-F537 VanDerWaalsContact CE2-CZ 3.49Å; F131-F537 AromaticContact CZ-CE1 3.8Å; F131-F537 HydrophobicContact CZ-CE1 3.8Å; F131-F537 HydrophobicContact CZ-CE2 4.29Å; F131-F537 AromaticContact CZ-CZ 3.29Å; F131-F537 HydrophobicContact CZ-CZ 3.29Å
132I98.4Very high97.7Very high19 Ų1950.7 Ų50.710%0.09725%0.254CS..Iπ-helixtrans-62.6-52.6-172.8-67169.9000111.9W127 R128 S136 M137 E139 A282 I284W127-I132 HydrophobicContact CE3-CD1 4.24Å; W127-I132 HydrophobicContact CZ3-CD1 3.55Å; W127-I132 HydrophobicContact CZ3-CG1 3.81Å; R128-I132 HydrophobicContact CG-CD1 4.09Å; R128-I132 WeakPolarHBondContact O-CA 3.19Å; R128-I132 WeakPolarHBondContact O-CB 3.38Å; R128-I132 PolarHBondContact O-N 2.85Å; I132-S136 CarbonylContact O-C 3.57Å; I132-S136 VanDerWaalsContact O-CA 3.28Å; I132-S136 WeakPolarHBondContact O-CA 3.31Å; I132-S136 PolarHBondContact O-N 3.41Å; I132-M137 HydrophobicContact CB-CB 4.41Å; I132-M137 HydrophobicContact CG1-CB 4.23Å; I132-M137 HydrophobicContact CG1-SD 4.28Å; I132-M137 HydrophobicContact CG2-CB 4.39Å; I132-M137 PolarHBondContact O-N 3.42Å; I132-E139 HydrophobicContact CD1-CB 3.96Å; I132-E139 HydrophobicContact CD1-CG 3.77Å; I132-E139 HydrophobicContact CG2-CB 4.35Å; I132-A282 HydrophobicContact CD1-CB 3.92Å; I132-A282 HydrophobicContact CG1-CB 3.7Å; I132-I284 HydrophobicContact CD1-CD1 4.34Å
133L97.4Very high97.6Very high127 Ų12752.8 Ų52.867%0.66527%0.272SS*.Iπ-helixtrans-69.4-45.2-176.2-177.164.8000111.4R128 R129R128-L133 PolarHBondContact O-N 3.19Å; R129-L133 HydrophobicContact CG-CD2 4.23Å
134E95.7Very high97.5Very high94 Ų9456.1 Ų56.144%0.43929%0.288SS..Hα-helixtrans-59.9-49.6179.9179.257.1-142.200111.3R129 H130 K322R129-E134 PolarHBondContact O-N 3.27Å; H130-E134 VanDerWaalsContact O-CB 3.3Å; H130-E134 WeakPolarHBondContact O-CB 3.28Å; E134-K322 PolarHBondContact O-NZ 2.98Å; E134-K322 IonicContact OE1-NZ 2.86Å; E134-K322 PolarHBondContact OE1-NZ 2.91Å
135D95.7Very high97.4Very high27 Ų2759.1 Ų59.114%0.14430%0.304CS..Hα-helixtrans-95.78.8-174.8-64.1-30.6000114F131 M137 K322 Y366F131-D135 WeakPolarHBondContact O-CB 3.46Å; F131-D135 PolarHBondContact O-N 2.91Å; D135-M137 HydrophobicContact CB-CE 3.8Å; D135-M137 HydrophobicContact CB-CG 3.95Å; D135-M137 PolarHBondContact O-N 3.45Å; D135-K322 IonicContact OD1-NZ 2.63Å; D135-K322 PolarHBondContact OD1-NZ 2.84Å; D135-Y366 PolarHBondContact OD1-OH 3.45Å; D135-Y366 PolarHBondContact OD2-OH 3.39Å
136S96.9Very high97.4Very high99 Ų9954.4 Ų54.469%0.69228%0.283SS*.THydrogen-bonded Turntrans51.642.4-179-56.80000112.5I132I132-S136 CarbonylContact O-C 3.57Å; I132-S136 VanDerWaalsContact O-CA 3.28Å; I132-S136 WeakPolarHBondContact O-CA 3.31Å; I132-S136 PolarHBondContact O-N 3.41Å
137M98Very high97.4Very high12 Ų1256.9 Ų56.96%0.05930%0.3CS..  trans-69.7148.8-176.5-51.1-176.6172.500111.3F131 I132 D135 E139 A280 A282 V309 Y367F131-M137 HydrophobicContact CB-CE 3.83Å; F131-M137 HydrophobicContact CB-SD 4.07Å; F131-M137 HydrophobicContact CD1-CE 4.39Å; I132-M137 HydrophobicContact CB-CB 4.41Å; I132-M137 HydrophobicContact CG1-CB 4.23Å; I132-M137 HydrophobicContact CG1-SD 4.28Å; I132-M137 HydrophobicContact CG2-CB 4.39Å; I132-M137 PolarHBondContact O-N 3.42Å; D135-M137 HydrophobicContact CB-CE 3.8Å; D135-M137 HydrophobicContact CB-CG 3.95Å; D135-M137 PolarHBondContact O-N 3.45Å; M137-E139 PolarHBondContact O-N 3.48Å; M137-A280 WeakPolarHBondContact CA-O 3.14Å; M137-A280 HydrophobicContact CB-CB 4.22Å; M137-A280 HydrophobicContact CE-CB 4.38Å; M137-A280 HydrophobicContact CG-CB 3.78Å; M137-A280 HydrophobicContact SD-CB 4.27Å; M137-A282 HydrophobicContact CB-CB 4.17Å; M137-A282 HydrophobicContact SD-CB 3.98Å; M137-V309 HydrophobicContact CE-CG1 3.77Å; M137-V309 HydrophobicContact CE-CG2 4.04Å; M137-V309 HydrophobicContact SD-CB 4.47Å; M137-V309 HydrophobicContact SD-CG1 3.86Å; M137-V309 HydrophobicContact SD-CG2 3.75Å; M137-Y367 HydrophobicContact CE-CE1 3.74Å; M137-Y367 WeakPolarHBondContact CE-OH 3.41Å
138L98.3Very high97.3Very high26 Ų2658.7 Ų58.714%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-82.594174.8-54.2-174.2000109.7L269 F272 N273 F279 A280 A281 A282L138-L269 HydrophobicContact CB-CD2 3.81Å; L138-L269 HydrophobicContact CD1-CB 4.21Å; L138-L269 HydrophobicContact CD1-CD2 3.97Å; L138-L269 WeakPolarHBondContact CD1-O 3.44Å; L138-F272 HydrophobicContact CD1-CB 4.39Å; L138-F272 HydrophobicContact CD1-CD1 3.88Å; L138-F272 HydrophobicContact CD2-CD1 3.49Å; L138-F272 VanDerWaalsContact CD2-CD1 3.49Å; L138-F272 HydrophobicContact CD2-CE1 3.58Å; L138-F272 HydrophobicContact CG-CD1 4.32Å; L138-N273 HydrophobicContact CD1-CB 4.32Å; L138-F279 HydrophobicContact CD1-CD2 4.11Å; L138-F279 HydrophobicContact CD1-CE2 4.45Å; L138-A280 PolarHBondContact N-O 3.41Å; L138-A281 HydrophobicContact CB-CB 4.43Å; L138-A281 VanDerWaalsContact O-CA 3.27Å; L138-A281 WeakPolarHBondContact O-CA 3.43Å; L138-A282 PolarHBondContact O-N 3.29Å
139E98.2Very high97.1Very high83 Ų8358.5 Ų58.539%0.38832%0.324SS..EExtended strand (participates in β ladder)trans-71.3131.6177-169.2175.6-17200111.3R128 I132 M137 A282R128-E139 IonicContact CZ-OE1 3.94Å; R128-E139 VanDerWaalsContact CZ-OE1 3.22Å; R128-E139 IonicContact NE-OE1 3.6Å; R128-E139 PolarHBondContact NE-OE1 3.34Å; R128-E139 IonicContact NE-OE2 3.39Å; R128-E139 PolarHBondContact NE-OE2 3.09Å; R128-E139 IonicContact NH2-OE1 2.75Å; R128-E139 PolarHBondContact NH2-OE1 3.44Å; I132-E139 HydrophobicContact CD1-CB 3.96Å; I132-E139 HydrophobicContact CD1-CG 3.77Å; I132-E139 HydrophobicContact CG2-CB 4.35Å; M137-E139 PolarHBondContact O-N 3.48Å; E139-A282 CarbonylContact C-O 3.59Å; E139-A282 VanDerWaalsContact CA-O 3.31Å; E139-A282 WeakPolarHBondContact CA-O 3.5Å
140V98.1Very high97.1Very high33 Ų3354.1 Ų54.120%0.231%0.311CS..  trans-129.8156.6174.5-660000111.5I262 L269 A282 Q283V140-I262 HydrophobicContact CG2-CG1 3.79Å; V140-L269 HydrophobicContact CG1-CD2 3.75Å; V140-A282 PolarHBondContact N-O 3.35Å; V140-Q283 HydrophobicContact CG2-CB 4.25Å; V140-Q283 VanDerWaalsContact O-CG 3.29Å; V140-Q283 WeakPolarHBondContact O-CG 3.24Å; V140-Q283 PolarHBondContact O-OE1 3Å
141D97.5Very high97Very high132 Ų13253.6 Ų53.671%0.70631%0.308SS*.  trans-128.9105.7170-175.314.2000109.7
142C97.6Very high96.9Very high18 Ų1859 Ų5912%0.12233%0.329CS..  trans-99.4157.3-174.6-61.10000111.8R255 G261 Q283C142-R255 PolarHBondContact O-NH1 3.37Å; C142-G261 VanDerWaalsContact SG-C 3.52Å; C142-G261 VanDerWaalsContact SG-CA 3.56Å; C142-G261 PolarHBondContact SG-O 3.4Å; C142-Q283 PolarHBondContact SG-OE1 3.28Å
143S97Very high96.6Very high80 Ų8058.8 Ų58.856%0.55933%0.33SS*.  trans-55.3138177.1-179.20000112.8L145S143-L145 PolarHBondContact OG-N 3.02Å; S143-L145 VanDerWaalsContact OG-N 3.14Å; S143-L145 PolarHBondContact OG-O 3.23Å
144M97.2Very high96.4Very high70 Ų7053 Ų5335%0.34530%0.3SS..SBendtrans-80.5-28.1169.8-60.6175.2-16800112.3T146 L254 R255 F288M144-T146 PolarHBondContact O-N 2.89Å; M144-L254 WeakPolarHBondContact O-CA 3.48Å; M144-R255 PolarHBondContact O-N 3.49Å; M144-F288 HydrophobicContact CB-CE2 4.17Å; M144-F288 HydrophobicContact CG-CE2 4.27Å; M144-F288 HydrophobicContact SD-CE2 3.86Å; M144-F288 HydrophobicContact SD-CZ 4.06Å
145L96.6Very high96.1Very high85 Ų8549 Ų4945%0.44528%0.283SS..EExtended strand (participates in β ladder)trans-80.1110172.6-66.7170.1000107.9S143 T242 L254S143-L145 PolarHBondContact OG-N 3.02Å; S143-L145 VanDerWaalsContact OG-N 3.14Å; S143-L145 PolarHBondContact OG-O 3.23Å; L145-T242 HydrophobicContact CD2-CG2 3.87Å; L145-L254 HydrophobicContact CD2-CD2 3.86Å
146T97Very high95.9Very high16 Ų1648.5 Ų48.510%0.09828%0.28CS..EExtended strand (participates in β ladder)trans-115.3122.7-174-530000109.9M144 V150 L151 G252 Y253M144-T146 PolarHBondContact O-N 2.89Å; T146-V150 HydrophobicContact CG2-CB 3.87Å; T146-V150 HydrophobicContact CG2-CG1 4.01Å; T146-V150 HydrophobicContact CG2-CG2 4.47Å; T146-L151 HydrophobicContact CG2-CD1 4.13Å; T146-L151 HydrophobicContact CG2-CD2 4.15Å; T146-L151 HydrophobicContact CG2-CG 3.8Å; T146-G252 CarbonylContact O-C 3.37Å; T146-G252 WeakPolarHBondContact O-CA 3.18Å; T146-Y253 PolarHBondContact N-O 2.9Å; T146-Y253 PolarHBondContact O-N 3.28Å
147P96.4Very high95.4Very high57 Ų5744.8 Ų44.837%0.3725%0.253SS..EExtended strand (participates in β ladder)trans-58.5141.9174.5-23.934000111.8A149 V150 I244P147-A149 PolarHBondContact O-N 2.9Å; P147-A149 VanDerWaalsContact O-N 3.15Å; P147-V150 HydrophobicContact CB-CG2 4.42Å; P147-V150 WeakPolarHBondContact O-CB 3.19Å; P147-V150 PolarHBondContact O-N 2.84Å; P147-I244 HydrophobicContact CG-CD1 4.25Å
148E96.4Very high94.8Very high38 Ų3849.1 Ų49.118%0.17827%0.273CS..Hα-helixtrans-53.5-38.8-179173.1174.9-17700112.9V150 L151 R152 V157 P251 Y253E148-V150 PolarHBondContact O-N 3.45Å; E148-L151 PolarHBondContact O-N 3.21Å; E148-L151 VanDerWaalsContact O-N 3.15Å; E148-R152 VanDerWaalsContact O-CB 3.31Å; E148-R152 WeakPolarHBondContact O-CB 3.18Å; E148-R152 PolarHBondContact O-N 3.44Å; E148-R152 IonicContact OE1-CZ 3.41Å; E148-R152 IonicContact OE1-NE 3.5Å; E148-R152 IonicContact OE1-NH2 3.4Å; E148-R152 PolarHBondContact OE1-NH2 2.79Å; E148-V157 HydrophobicContact CG-CG2 4.29Å; E148-P251 HydrophobicContact CB-CB 4.17Å; E148-P251 HydrophobicContact CB-CG 4.07Å; E148-P251 PolarHBondContact N-O 3.15Å; E148-P251 WeakPolarHBondContact OE2-CB 3.29Å; E148-P251 WeakPolarHBondContact OE2-CG 3.31Å; E148-Y253 HydrophobicContact CB-CD2 4.4Å; E148-Y253 HydrophobicContact CB-CE2 3.94Å; E148-Y253 HydrophobicContact CG-CE2 3.93Å
149A95.5Very high94Very high75 Ų7554.1 Ų54.162%0.6229%0.29SS*.Hα-helixtrans-56.9-33.1-179.300000113.3P147 A153P147-A149 PolarHBondContact O-N 2.9Å; P147-A149 VanDerWaalsContact O-N 3.15Å; A149-A153 WeakPolarHBondContact O-CB 3.06Å; A149-A153 PolarHBondContact O-N 3.5Å
150V96.1Very high93.3Very high34 Ų3451.7 Ų51.721%0.20628%0.279CS..Hα-helixtrans-69.7-48.4178.5-179.50000110T146 P147 E148 R152 A153 S154 V264 H430T146-V150 HydrophobicContact CG2-CB 3.87Å; T146-V150 HydrophobicContact CG2-CG1 4.01Å; T146-V150 HydrophobicContact CG2-CG2 4.47Å; P147-V150 HydrophobicContact CB-CG2 4.42Å; P147-V150 WeakPolarHBondContact O-CB 3.19Å; P147-V150 PolarHBondContact O-N 2.84Å; E148-V150 PolarHBondContact O-N 3.45Å; V150-R152 VanDerWaalsContact C-N 3.34Å; V150-A153 PolarHBondContact O-N 2.82Å; V150-S154 PolarHBondContact O-N 3.47Å; V150-S154 PolarHBondContact O-OG 3.5Å; V150-V264 HydrophobicContact CG1-CG2 3.82Å; V150-H430 PolarHBondContact O-CE1 3.08Å; V150-H430 VanDerWaalsContact O-CE1 3.3Å
151L95.4Very high92.7Very high1 Ų152.4 Ų52.41%0.00528%0.284CS..Hα-helixtrans-73.4-28.2-178.9-65.5176.8000112.5T146 E148 S154 G155 H156 V157 M239 Y253 Q260T146-L151 HydrophobicContact CG2-CD1 4.13Å; T146-L151 HydrophobicContact CG2-CD2 4.15Å; T146-L151 HydrophobicContact CG2-CG 3.8Å; E148-L151 PolarHBondContact O-N 3.21Å; E148-L151 VanDerWaalsContact O-N 3.15Å; L151-S154 PolarHBondContact O-OG 3.13Å; L151-G155 PolarHBondContact O-N 2.99Å; L151-H156 HydrophobicContact CB-CB 4.02Å; L151-H156 HydrophobicContact CD2-CB 4.24Å; L151-H156 WeakPolarHBondContact O-CB 3.42Å; L151-H156 PolarHBondContact O-N 3.38Å; L151-V157 HydrophobicContact CB-CG2 4.11Å; L151-V157 PolarHBondContact O-N 3.47Å; L151-M239 HydrophobicContact CD1-SD 3.81Å; L151-Y253 HydrophobicContact CD1-CD2 3.91Å; L151-Y253 HydrophobicContact CD1-CG 4.04Å; L151-Q260 HydrophobicContact CD2-CG 4.12Å
152R94.9Very high92.3Very high113 Ų11347.8 Ų47.843%0.42626%0.26SS..Hα-helixtrans-67.3-42.1170.1-176.2175.9-62.6-75.211.1111.2E148 V150 G155 V157 E158E148-R152 VanDerWaalsContact O-CB 3.31Å; E148-R152 WeakPolarHBondContact O-CB 3.18Å; E148-R152 PolarHBondContact O-N 3.44Å; E148-R152 IonicContact OE1-CZ 3.41Å; E148-R152 IonicContact OE1-NE 3.5Å; E148-R152 IonicContact OE1-NH2 3.4Å; E148-R152 PolarHBondContact OE1-NH2 2.79Å; V150-R152 VanDerWaalsContact C-N 3.34Å; R152-G155 PolarHBondContact O-N 3.37Å; R152-G155 VanDerWaalsContact O-N 3.11Å; R152-V157 HydrophobicContact CB-CB 4.46Å; R152-V157 HydrophobicContact CB-CG2 4.04Å; R152-E158 IonicContact CZ-OE1 3.23Å; R152-E158 IonicContact NH1-OE1 3.57Å; R152-E158 PolarHBondContact NH1-OE1 3.26Å
153A93.7Very high92Very high15 Ų1550.2 Ų50.212%0.12427%0.267CS..Hα-helixtrans-60.5-46.6176.800000111.2A149 V150 G155 Q429 A433A149-A153 WeakPolarHBondContact O-CB 3.06Å; A149-A153 PolarHBondContact O-N 3.5Å; V150-A153 PolarHBondContact O-N 2.82Å; A153-G155 PolarHBondContact O-N 3.44Å; A153-Q429 WeakPolarHBondContact O-CB 3.5Å; A153-Q429 WeakPolarHBondContact O-CG 3.45Å; A153-A433 HydrophobicContact CB-CB 3.77Å
154S92Very high91.8Very high6 Ų647.2 Ų47.24%0.04224%0.244CC..THydrogen-bonded Turntrans-74.7-117651.50000114.8V150 L151 H156 Q260 D426V150-S154 PolarHBondContact O-N 3.47Å; V150-S154 PolarHBondContact O-OG 3.5Å; L151-S154 PolarHBondContact O-OG 3.13Å; S154-H156 VanDerWaalsContact C-N 3.33Å; S154-H156 PolarHBondContact O-N 3.07Å; S154-H156 PolarHBondContact OG-ND1 3.44Å; S154-Q260 PolarHBondContact OG-OE1 3.22Å; S154-Q260 VanDerWaalsContact OG-OE1 3.06Å; S154-D426 WeakPolarHBondContact CB-OD1 3.45Å
155G89.4Confident91.7Very high8 Ų843.9 Ų43.98%0.08223%0.228CC..THydrogen-bonded Turntrans78.99.4177.500000115.2L151 R152 A153 E158 R159L151-G155 PolarHBondContact O-N 2.99Å; R152-G155 PolarHBondContact O-N 3.37Å; R152-G155 VanDerWaalsContact O-N 3.11Å; A153-G155 PolarHBondContact O-N 3.44Å; G155-E158 WeakPolarHBondContact CA-OE2 3.47Å; G155-E158 PolarHBondContact O-N 2.96Å; G155-R159 VanDerWaalsContact O-CB 3.31Å; G155-R159 WeakPolarHBondContact O-CB 3.39Å; G155-R159 WeakPolarHBondContact O-CG 3.32Å; G155-R159 PolarHBondContact O-N 3.26Å
156H91.3Very high91.6Very high18 Ų1842.3 Ų42.38%0.08322%0.218CC..Hα-helixtrans-64.9-39177.5-78.378.9000112L151 S154 E158 R159 F160 M239 E257 Q260L151-H156 HydrophobicContact CB-CB 4.02Å; L151-H156 HydrophobicContact CD2-CB 4.24Å; L151-H156 WeakPolarHBondContact O-CB 3.42Å; L151-H156 PolarHBondContact O-N 3.38Å; S154-H156 VanDerWaalsContact C-N 3.33Å; S154-H156 PolarHBondContact O-N 3.07Å; S154-H156 PolarHBondContact OG-ND1 3.44Å; H156-E158 PolarHBondContact O-N 2.94Å; H156-R159 PolarHBondContact O-N 3.15Å; H156-F160 AromaticContact CD2-CD2 3.63Å; H156-F160 WeakPolarHBondContact O-CB 3.29Å; H156-F160 PolarHBondContact O-N 3.31Å; H156-M239 HydrophobicContact CB-CE 4.38Å; H156-M239 HydrophobicContact CB-SD 4Å; H156-E257 IonicContact CE1-OE1 3.76Å; H156-E257 PolarHBondContact CE1-OE1 3.43Å; H156-E257 VanDerWaalsContact CE1-OE1 3.25Å; H156-E257 VanDerWaalsContact NE2-CD 3.3Å; H156-E257 IonicContact NE2-OE1 3.81Å; H156-E257 PolarHBondContact NE2-OE1 2.92Å; H156-E257 IonicContact NE2-OE2 2.86Å; H156-E257 PolarHBondContact NE2-OE2 3.21Å; H156-Q260 PolarHBondContact CE1-NE2 3.05Å
157V87.9Confident91.5Very high20 Ų2041.6 Ų41.612%0.12121%0.213CC..Hα-helixtrans-59.2-36-179.2176.50000111.5E148 L151 R152 M239 Y253E148-V157 HydrophobicContact CG-CG2 4.29Å; L151-V157 HydrophobicContact CB-CG2 4.11Å; L151-V157 PolarHBondContact O-N 3.47Å; R152-V157 HydrophobicContact CB-CB 4.46Å; R152-V157 HydrophobicContact CB-CG2 4.04Å; V157-M239 HydrophobicContact CB-CE 4.41Å; V157-M239 HydrophobicContact CG2-CE 4.04Å; V157-Y253 HydrophobicContact CG2-CE2 4.28Å
158E84.4Confident91.4Very high103 Ų10345.7 Ų45.748%0.48123%0.225SC..Hα-helixtrans-88-35.3-179-61.276.2-163.700113.2R152 G155 H156R152-E158 IonicContact CZ-OE1 3.23Å; R152-E158 IonicContact NH1-OE1 3.57Å; R152-E158 PolarHBondContact NH1-OE1 3.26Å; G155-E158 WeakPolarHBondContact CA-OE2 3.47Å; G155-E158 PolarHBondContact O-N 2.96Å; H156-E158 PolarHBondContact O-N 2.94Å
159R82.3Confident91.3Very high131 Ų13151.8 Ų51.849%0.49425%0.251SS..Hα-helixtrans-101.7-19-170-66178173.4160.4-7.2115.2G155 H156 C161 H397G155-R159 VanDerWaalsContact O-CB 3.31Å; G155-R159 WeakPolarHBondContact O-CB 3.39Å; G155-R159 WeakPolarHBondContact O-CG 3.32Å; G155-R159 PolarHBondContact O-N 3.26Å; H156-R159 PolarHBondContact O-N 3.15Å; R159-C161 PolarHBondContact O-N 3.27Å; R159-H397 PolarHBondContact NH1-CE1 3.34Å; R159-H397 PolarHBondContact NH2-CE1 3.25Å; R159-H397 PolarHBondContact NH2-NE2 3.38Å
160F83.4Confident91.2Very high32 Ų3251.8 Ų51.814%0.1424%0.243CC..  trans-82.548.9-174.3-141.5-101000111.8H156 L238 M239 P256 R289H156-F160 AromaticContact CD2-CD2 3.63Å; H156-F160 WeakPolarHBondContact O-CB 3.29Å; H156-F160 PolarHBondContact O-N 3.31Å; F160-L238 HydrophobicContact CD1-CB 3.7Å; F160-L238 HydrophobicContact CD1-CD1 4.34Å; F160-L238 HydrophobicContact CE1-CB 3.88Å; F160-L238 HydrophobicContact CE1-CD1 4.3Å; F160-L238 PolarHBondContact O-N 3.25Å; F160-M239 HydrophobicContact CB-CG 4.19Å; F160-M239 HydrophobicContact CB-SD 4.38Å; F160-M239 HydrophobicContact CD1-CG 3.59Å; F160-M239 HydrophobicContact CE1-CG 4.36Å; F160-M239 HydrophobicContact CG-CG 4.16Å; F160-P256 HydrophobicContact CD1-CB 3.99Å; F160-P256 HydrophobicContact CD1-CG 4.5Å; F160-P256 HydrophobicContact CE1-CB 3.37Å; F160-P256 HydrophobicContact CE1-CG 4.26Å; F160-P256 HydrophobicContact CE2-CB 4.13Å; F160-P256 HydrophobicContact CE2-CG 4.45Å; F160-P256 HydrophobicContact CZ-CB 3.45Å; F160-P256 VanDerWaalsContact CZ-CB 3.45Å; F160-P256 HydrophobicContact CZ-CG 4.24Å; F160-R289 HydrophobicContact CE1-CG 4.03Å; F160-R289 HydrophobicContact CZ-CG 4.23Å
161C85Confident90.9Very high48 Ų4854.8 Ų54.832%0.32426%0.258SS..EExtended strand (participates in β ladder)trans-122.8132.6-177.8-65.20000110.3R159 F236R159-C161 PolarHBondContact O-N 3.27Å; C161-F236 VanDerWaalsContact CA-O 3.23Å; C161-F236 WeakPolarHBondContact CA-O 3.41Å
162D88Confident90.7Very high35 Ų3557.4 Ų57.419%0.18727%0.27CS..EExtended strand (participates in β ladder)trans-109.1162.9167.3-74-40.4000110.3R175 F236 L238 I292D162-R175 HydrophobicContact CB-CG 4.33Å; D162-R175 IonicContact OD1-NH1 2.66Å; D162-R175 IonicContact OD2-CZ 3.83Å; D162-R175 IonicContact OD2-NE 3.6Å; D162-R175 PolarHBondContact OD2-NE 2.89Å; D162-R175 IonicContact OD2-NH1 3.25Å; D162-R175 PolarHBondContact OD2-NH1 2.94Å; D162-R175 IonicContact OD2-NH2 3.3Å; D162-R175 PolarHBondContact OD2-NH2 2.93Å; D162-F236 PolarHBondContact N-O 2.9Å; D162-F236 PolarHBondContact O-N 3.3Å; D162-L238 HydrophobicContact CB-CD1 4.32Å; D162-L238 HydrophobicContact CB-CD2 4.16Å; D162-L238 HydrophobicContact CB-CG 4.41Å; D162-L238 WeakPolarHBondContact OD2-CD1 3.49Å; D162-I292 HydrophobicContact CB-CD1 3.78Å
163Y92Very high90.6Very high69 Ų6953.8 Ų53.827%0.27126%0.262SS..EExtended strand (participates in β ladder)trans-92.4127173.7-60.5-68.9000111.3A176 W209 M212 L234 A235Y163-A176 WeakPolarHBondContact O-CB 3.45Å; Y163-A176 PolarHBondContact O-N 2.98Å; Y163-W209 HydrophobicContact CD1-CB 3.7Å; Y163-W209 HydrophobicContact CE1-CB 3.54Å; Y163-W209 HydrophobicContact CE1-CG 4.26Å; Y163-W209 HydrophobicContact CE2-CB 4.37Å; Y163-W209 HydrophobicContact CG-CB 4.21Å; Y163-M212 HydrophobicContact CD2-CE 4.05Å; Y163-M212 HydrophobicContact CD2-SD 3.87Å; Y163-M212 HydrophobicContact CG-SD 4.28Å; Y163-L234 WeakPolarHBondContact CA-O 3.32Å; Y163-A235 HydrophobicContact CD1-CB 4.23Å; Y163-A235 HydrophobicContact CE1-CB 4.01Å
164M93.4Very high90.5Very high17 Ų1753.5 Ų53.58%0.08426%0.258CS..EExtended strand (participates in β ladder)trans-108.1147.6172.277.1164.181.100111.7K166 C173 F174 P233 L234 F236 I292M164-K166 HydrophobicContact SD-CG 4.3Å; M164-C173 HydrophobicContact SD-CB 4.07Å; M164-C173 VanDerWaalsContact SD-SG 3.68Å; M164-F174 CarbonylContact C-O 3.41Å; M164-F174 VanDerWaalsContact CA-O 3.3Å; M164-F174 WeakPolarHBondContact CA-O 3.24Å; M164-P233 CarbonylContact O-C 3.53Å; M164-P233 WeakPolarHBondContact O-CA 3.26Å; M164-L234 HydrophobicContact CG-CB 4.29Å; M164-L234 PolarHBondContact N-O 3.17Å; M164-L234 PolarHBondContact O-N 2.97Å; M164-F236 HydrophobicContact CE-CB 3.35Å; M164-F236 HydrophobicContact CE-CD1 3.62Å; M164-F236 HydrophobicContact CE-CD2 3.08Å; M164-F236 HydrophobicContact CE-CE1 4.07Å; M164-F236 HydrophobicContact CE-CE2 3.62Å; M164-F236 HydrophobicContact CE-CG 3.06Å; M164-F236 HydrophobicContact CE-CZ 4.07Å; M164-F236 HydrophobicContact CG-CB 4.48Å; M164-I292 HydrophobicContact CB-CD1 3.9Å; M164-I292 HydrophobicContact CB-CG1 4.32Å; M164-I292 HydrophobicContact CB-CG2 3.87Å; M164-I292 HydrophobicContact CE-CG1 4.35Å
165V94.5Very high90.5Very high0 Ų054.5 Ų54.50%026%0.261CS..EExtended strand (participates in β ladder)trans-117.1146.5165.3-680000109.4C173 F174 A176 L179 I216 L230 P233V165-C173 WeakPolarHBondContact O-CA 3.1Å; V165-F174 HydrophobicContact CG2-CB 4.03Å; V165-F174 PolarHBondContact N-O 2.91Å; V165-F174 PolarHBondContact O-N 3.27Å; V165-A176 HydrophobicContact CG1-CB 4.11Å; V165-L179 HydrophobicContact CG2-CD2 3.8Å; V165-I216 HydrophobicContact CG1-CD1 3.95Å; V165-L230 HydrophobicContact CB-CB 4.41Å; V165-L230 HydrophobicContact CG2-CD1 4.2Å; V165-L230 HydrophobicContact CG2-CD2 4.22Å; V165-P233 HydrophobicContact CG1-CB 4.12Å; V165-P233 HydrophobicContact CG1-CG 3.93Å
166K94.4Very high90.6Very high53 Ų5354.1 Ų54.123%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-115.1140.8-178.3-59.8-161.3177.6-169.30111.8M164 K168 D171 E172 L230 S231M164-K166 HydrophobicContact SD-CG 4.3Å; K166-K168 PolarHBondContact O-N 3.29Å; K166-D171 WeakPolarHBondContact CD-OD1 3.45Å; K166-D171 IonicContact NZ-OD1 2.87Å; K166-D171 PolarHBondContact NZ-OD1 3.18Å; K166-D171 IonicContact NZ-OD2 3.95Å; K166-D171 PolarHBondContact NZ-OD2 3.16Å; K166-E172 CarbonylContact C-O 3.56Å; K166-E172 WeakPolarHBondContact CA-O 3.44Å; K166-L230 CarbonylContact O-C 3.54Å; K166-L230 VanDerWaalsContact O-CA 3.28Å; K166-L230 WeakPolarHBondContact O-CA 3.3Å; K166-S231 PolarHBondContact N-OG 3.42Å; K166-S231 PolarHBondContact O-N 2.99Å
167D94.4Very high90.5Very high0 Ų054.5 Ų54.50%026%0.259CS..BIsolated β-bridgetrans-62.2120165.1-175.5-44.7000109.7K169 T170 D171 E172 F174 S223 T226 N228D167-K169 PolarHBondContact O-N 3Å; D167-K169 PolarHBondContact OD1-N 3.44Å; D167-T170 WeakPolarHBondContact CB-OG1 3.15Å; D167-T170 PolarHBondContact O-N 3.28Å; D167-T170 PolarHBondContact OD1-N 3.05Å; D167-T170 VanDerWaalsContact OD1-N 3.08Å; D167-T170 PolarHBondContact OD2-OG1 2.93Å; D167-D171 VanDerWaalsContact O-CA 3.28Å; D167-D171 WeakPolarHBondContact O-CA 3.41Å; D167-D171 PolarHBondContact O-N 3.35Å; D167-E172 HydrophobicContact CB-CB 4.28Å; D167-E172 PolarHBondContact N-O 3.34Å; D167-F174 HydrophobicContact CB-CE2 4.46Å; D167-S223 VanDerWaalsContact OD2-CB 3.26Å; D167-S223 WeakPolarHBondContact OD2-CB 3.26Å; D167-S223 PolarHBondContact OD2-OG 2.9Å; D167-S223 VanDerWaalsContact OD2-OG 3.1Å; D167-T226 PolarHBondContact OD2-OG1 3.26Å; D167-N228 VanDerWaalsContact OD1-CB 3.28Å; D167-N228 WeakPolarHBondContact OD1-CB 3.27Å; D167-N228 PolarHBondContact OD1-ND2 2.88Å; D167-N228 VanDerWaalsContact OD1-ND2 3.09Å; D167-N228 PolarHBondContact OD2-ND2 3.24Å
168K94.9Very high90.5Very high144 Ų14457.7 Ų57.763%0.62627%0.273SS*.THydrogen-bonded Turntrans-63.4-14.2-176.2-75.3-178.9171.1161.50114.3K166 D229 L230K166-K168 PolarHBondContact O-N 3.29Å; K168-D229 WeakPolarHBondContact CB-O 3.48Å; K168-D229 HydrophobicContact CD-CB 3.91Å; K168-D229 PolarHBondContact N-O 3.44Å; K168-L230 WeakPolarHBondContact CE-O 3.29Å; K168-L230 PolarHBondContact NZ-O 3.12Å
169K94.4Very high90.8Very high165 Ų16553.6 Ų53.672%0.71725%0.254SS*.THydrogen-bonded Turntrans-108.1-38.3178.2-58-170-168.51530113.3D167 N228D167-K169 PolarHBondContact O-N 3Å; D167-K169 PolarHBondContact OD1-N 3.44Å; K169-N228 WeakPolarHBondContact CD-OD1 3.42Å; K169-N228 WeakPolarHBondContact CE-OD1 3.23Å; K169-N228 HydrophobicContact CG-CB 4.43Å; K169-N228 PolarHBondContact NZ-OD1 3.49Å
170T93.1Very high91.2Very high75 Ų7547.4 Ų47.446%0.4623%0.231SC..THydrogen-bonded Turntrans-99.9-10-176.464.90000114D167 E172 T226D167-T170 WeakPolarHBondContact CB-OG1 3.15Å; D167-T170 PolarHBondContact O-N 3.28Å; D167-T170 PolarHBondContact OD1-N 3.05Å; D167-T170 VanDerWaalsContact OD1-N 3.08Å; D167-T170 PolarHBondContact OD2-OG1 2.93Å; T170-E172 PolarHBondContact O-N 2.88Å; T170-E172 VanDerWaalsContact O-N 3.15Å; T170-E172 WeakPolarHBondContact OG1-CB 3.48Å; T170-E172 PolarHBondContact OG1-N 2.86Å; T170-T226 HydrophobicContact CG2-CG2 3.93Å
171D90.6Very high91.5Very high97 Ų9749.8 Ų49.852%0.51924%0.241SC..  trans58.113.7-170.1-151.554.8000113.7K166 D167 C173K166-D171 WeakPolarHBondContact CD-OD1 3.45Å; K166-D171 IonicContact NZ-OD1 2.87Å; K166-D171 PolarHBondContact NZ-OD1 3.18Å; K166-D171 IonicContact NZ-OD2 3.95Å; K166-D171 PolarHBondContact NZ-OD2 3.16Å; D167-D171 VanDerWaalsContact O-CA 3.28Å; D167-D171 WeakPolarHBondContact O-CA 3.41Å; D167-D171 PolarHBondContact O-N 3.35Å; D171-C173 PolarHBondContact O-N 3.5Å
172E90.1Very high91.5Very high56 Ų5650.2 Ų50.226%0.26225%0.248SC..  trans-64.3126176.8-170.9-178.7178.500109.9K166 D167 T170 F174 R295K166-E172 CarbonylContact C-O 3.56Å; K166-E172 WeakPolarHBondContact CA-O 3.44Å; D167-E172 HydrophobicContact CB-CB 4.28Å; D167-E172 PolarHBondContact N-O 3.34Å; T170-E172 PolarHBondContact O-N 2.88Å; T170-E172 VanDerWaalsContact O-N 3.15Å; T170-E172 WeakPolarHBondContact OG1-CB 3.48Å; T170-E172 PolarHBondContact OG1-N 2.86Å; E172-F174 HydrophobicContact CB-CE2 4.11Å; E172-F174 HydrophobicContact CB-CZ 4.24Å; E172-F174 VanDerWaalsContact CD-CZ 3.4Å; E172-F174 HydrophobicContact CG-CE1 4.39Å; E172-F174 HydrophobicContact CG-CE2 4.02Å; E172-F174 HydrophobicContact CG-CZ 3.75Å; E172-F174 WeakPolarHBondContact O-CE2 3.43Å; E172-R295 IonicContact OE1-CZ 2.74Å; E172-R295 IonicContact OE1-NH2 3.36Å; E172-R295 PolarHBondContact OE1-NH2 2.85Å
173C92.6Very high91.5Very high37 Ų3751 Ų5125%0.2525%0.251CS..EExtended strand (participates in β ladder)trans-91.1135.4-177.6-570000112M164 V165 D171 I292 S293M164-C173 HydrophobicContact SD-CB 4.07Å; M164-C173 VanDerWaalsContact SD-SG 3.68Å; V165-C173 WeakPolarHBondContact O-CA 3.1Å; D171-C173 PolarHBondContact O-N 3.5Å; C173-I292 HydrophobicContact CB-CG2 4Å; C173-S293 PolarHBondContact O-OG 3.28Å
174F91.9Very high91.3Very high10 Ų1047.7 Ų47.74%0.04424%0.238CC..EExtended strand (participates in β ladder)trans-123.6142.5171.7-55-86000108.9M164 V165 D167 E172 A176 P224 V225 L230 S293M164-F174 CarbonylContact C-O 3.41Å; M164-F174 VanDerWaalsContact CA-O 3.3Å; M164-F174 WeakPolarHBondContact CA-O 3.24Å; V165-F174 HydrophobicContact CG2-CB 4.03Å; V165-F174 PolarHBondContact N-O 2.91Å; V165-F174 PolarHBondContact O-N 3.27Å; D167-F174 HydrophobicContact CB-CE2 4.46Å; E172-F174 HydrophobicContact CB-CE2 4.11Å; E172-F174 HydrophobicContact CB-CZ 4.24Å; E172-F174 VanDerWaalsContact CD-CZ 3.4Å; E172-F174 HydrophobicContact CG-CE1 4.39Å; E172-F174 HydrophobicContact CG-CE2 4.02Å; E172-F174 HydrophobicContact CG-CZ 3.75Å; E172-F174 WeakPolarHBondContact O-CE2 3.43Å; F174-A176 PolarHBondContact O-N 3.45Å; F174-P224 HydrophobicContact CD1-CG 4.33Å; F174-P224 HydrophobicContact CE1-CG 4.19Å; F174-V225 HydrophobicContact CE1-CG2 4.15Å; F174-V225 HydrophobicContact CZ-CG2 4.07Å; F174-L230 HydrophobicContact CD2-CD2 4.12Å; F174-L230 HydrophobicContact CE2-CD2 4.42Å; F174-S293 WeakPolarHBondContact CA-OG 3.33Å
175R92.2Very high90.8Very high27 Ų2750.2 Ų50.210%0.10225%0.249CC..EExtended strand (participates in β ladder)trans-71.6129.3167.8-152.1-163.6-84.8-147.7-17.3109.8D162 D177 H178 L179 E291 I292 S293 R300D162-R175 HydrophobicContact CB-CG 4.33Å; D162-R175 IonicContact OD1-NH1 2.66Å; D162-R175 IonicContact OD2-CZ 3.83Å; D162-R175 IonicContact OD2-NE 3.6Å; D162-R175 PolarHBondContact OD2-NE 2.89Å; D162-R175 IonicContact OD2-NH1 3.25Å; D162-R175 PolarHBondContact OD2-NH1 2.94Å; D162-R175 IonicContact OD2-NH2 3.3Å; D162-R175 PolarHBondContact OD2-NH2 2.93Å; R175-D177 WeakPolarHBondContact CB-OD1 3.43Å; R175-D177 VanDerWaalsContact CD-CG 3.5Å; R175-D177 WeakPolarHBondContact CD-OD1 3.42Å; R175-D177 WeakPolarHBondContact CD-OD2 3.5Å; R175-D177 WeakPolarHBondContact CG-OD1 3.47Å; R175-D177 IonicContact NH1-OD2 2.83Å; R175-H178 HydrophobicContact CB-CB 4.28Å; R175-H178 PolarHBondContact O-N 3.36Å; R175-L179 WeakPolarHBondContact O-CB 3.49Å; R175-L179 PolarHBondContact O-N 2.91Å; R175-E291 IonicContact CZ-OE1 3.95Å; R175-E291 IonicContact CZ-OE2 3.47Å; R175-E291 IonicContact NE-OE1 3.98Å; R175-E291 PolarHBondContact NE-OE1 3.23Å; R175-E291 IonicContact NH2-OE1 3.48Å; R175-E291 PolarHBondContact NH2-OE1 3.13Å; R175-E291 IonicContact NH2-OE2 3.48Å; R175-E291 PolarHBondContact NH2-OE2 3.06Å; R175-I292 HydrophobicContact CB-CB 4.41Å; R175-I292 HydrophobicContact CB-CD1 4.46Å; R175-I292 HydrophobicContact CB-CG2 4.37Å; R175-I292 HydrophobicContact CG-CD1 3.83Å; R175-S293 PolarHBondContact N-OG 3.32Å; R175-R300 VanDerWaalsContact NH2-NH2 3.17Å
176A92.1Very high90.3Very high0 Ų056.7 Ų56.70%028%0.278CS..Hα-helixtrans-66.8-48.1-167.300000112.7Y163 V165 F174 H178 L179 I180 M212 P233Y163-A176 WeakPolarHBondContact O-CB 3.45Å; Y163-A176 PolarHBondContact O-N 2.98Å; V165-A176 HydrophobicContact CG1-CB 4.11Å; F174-A176 PolarHBondContact O-N 3.45Å; A176-H178 PolarHBondContact O-N 2.91Å; A176-L179 WeakPolarHBondContact O-CB 3.4Å; A176-L179 PolarHBondContact O-N 3.17Å; A176-I180 VanDerWaalsContact O-CG1 3.26Å; A176-I180 WeakPolarHBondContact O-CG1 3.42Å; A176-I180 PolarHBondContact O-N 3.18Å; A176-M212 HydrophobicContact CB-SD 3.75Å; A176-P233 HydrophobicContact CB-CB 4.41Å
177D89.1Confident89.7Confident25 Ų2558.1 Ų58.113%0.13428%0.284CS..Hα-helixtrans-51.3-50.5171.259.4-19.1000112.2R175 L179 I180 K181 L204 M212R175-D177 WeakPolarHBondContact CB-OD1 3.43Å; R175-D177 VanDerWaalsContact CD-CG 3.5Å; R175-D177 WeakPolarHBondContact CD-OD1 3.42Å; R175-D177 WeakPolarHBondContact CD-OD2 3.5Å; R175-D177 WeakPolarHBondContact CG-OD1 3.47Å; R175-D177 IonicContact NH1-OD2 2.83Å; D177-L179 PolarHBondContact O-N 3.09Å; D177-I180 PolarHBondContact O-N 3.34Å; D177-K181 VanDerWaalsContact O-CB 3.3Å; D177-K181 WeakPolarHBondContact O-CB 3.44Å; D177-K181 PolarHBondContact O-N 3.27Å; D177-L204 WeakPolarHBondContact O-CD2 3.14Å; D177-M212 HydrophobicContact CB-CE 4.07Å
178H87.5Confident88.8Confident87 Ų8760.3 Ų60.340%0.40330%0.295SS..Hα-helixtrans-65.2-39.1-179.6-81.6-117.5000112.5R175 A176 A182 R300R175-H178 HydrophobicContact CB-CB 4.28Å; R175-H178 PolarHBondContact O-N 3.36Å; A176-H178 PolarHBondContact O-N 2.91Å; H178-A182 WeakPolarHBondContact O-CB 3.49Å; H178-A182 PolarHBondContact O-N 3.39Å; H178-R300 PolarHBondContact CE1-NH1 2.98Å; H178-R300 PolarHBondContact CE1-NH2 3.32Å; H178-R300 PolarHBondContact ND1-NH1 2.95Å; H178-R300 PolarHBondContact NE2-NH1 3.5Å; H178-R300 VanDerWaalsContact NE2-NH1 3.12Å; H178-R300 PolarHBondContact NE2-NH2 2.6Å
179L90.3Very high87.8Confident18 Ų1861 Ų619%0.09430%0.301CS..Hα-helixtrans-61.7-47.6175.4177.673.4000110.7V165 R175 A176 D177 H183 P224 L230V165-L179 HydrophobicContact CG2-CD2 3.8Å; R175-L179 WeakPolarHBondContact O-CB 3.49Å; R175-L179 PolarHBondContact O-N 2.91Å; A176-L179 WeakPolarHBondContact O-CB 3.4Å; A176-L179 PolarHBondContact O-N 3.17Å; D177-L179 PolarHBondContact O-N 3.09Å; L179-H183 PolarHBondContact O-N 2.78Å; L179-H183 VanDerWaalsContact O-N 3.15Å; L179-P224 HydrophobicContact CD1-CG 3.34Å; L179-L230 HydrophobicContact CD2-CD1 3.28Å
180I92Very high87Confident0 Ų058.7 Ų58.70%030%0.296CS..Hα-helixtrans-61.9-51.8178.3-67.3163.9000109.3A176 D177 A182 H183 L184 L204 M212 V215 I216 M221A176-I180 VanDerWaalsContact O-CG1 3.26Å; A176-I180 WeakPolarHBondContact O-CG1 3.42Å; A176-I180 PolarHBondContact O-N 3.18Å; D177-I180 PolarHBondContact O-N 3.34Å; I180-A182 PolarHBondContact O-N 3.48Å; I180-H183 WeakPolarHBondContact O-CB 3.45Å; I180-H183 PolarHBondContact O-N 2.9Å; I180-L184 HydrophobicContact CG2-CD1 3.6Å; I180-L184 HydrophobicContact CG2-CG 3.91Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.13Å; I180-L184 PolarHBondContact O-N 2.79Å; I180-L204 HydrophobicContact CB-CD1 3.93Å; I180-L204 HydrophobicContact CB-CD2 4.24Å; I180-L204 HydrophobicContact CD1-CD1 4.04Å; I180-L204 HydrophobicContact CG2-CD1 3.54Å; I180-L204 HydrophobicContact CG2-CD2 3.98Å; I180-L204 HydrophobicContact CG2-CG 4.42Å; I180-M212 HydrophobicContact CD1-CB 3.81Å; I180-M212 HydrophobicContact CD1-CG 3.92Å; I180-V215 HydrophobicContact CG1-CG1 4.48Å; I180-V215 HydrophobicContact CG2-CG1 3.79Å; I180-I216 HydrophobicContact CD1-CD1 4.14Å; I180-I216 HydrophobicContact CD1-CG1 3.97Å; I180-I216 HydrophobicContact CG1-CD1 4.26Å; I180-I216 HydrophobicContact CG1-CG1 3.78Å; I180-M221 HydrophobicContact CB-CE 4.41Å; I180-M221 HydrophobicContact CB-SD 4.47Å; I180-M221 HydrophobicContact CG1-CE 4.27Å; I180-M221 HydrophobicContact CG1-SD 4.04Å; I180-M221 HydrophobicContact CG2-CE 4.19Å
181K88.9Confident85.5Confident82 Ų8258 Ų5836%0.35730%0.303SS..Hα-helixtrans-51.2-52.6179.5-168.9173.1-174.7163.20111.9D177 H183 L184 E185 Y201 L204D177-K181 VanDerWaalsContact O-CB 3.3Å; D177-K181 WeakPolarHBondContact O-CB 3.44Å; D177-K181 PolarHBondContact O-N 3.27Å; K181-H183 VanDerWaalsContact C-N 3.3Å; K181-H183 PolarHBondContact O-N 3.28Å; K181-L184 PolarHBondContact O-N 2.9Å; K181-E185 WeakPolarHBondContact O-CB 3.36Å; K181-E185 WeakPolarHBondContact O-CG 3.5Å; K181-E185 PolarHBondContact O-N 2.91Å; K181-Y201 HydrophobicContact CG-CE2 3.8Å; K181-L204 HydrophobicContact CB-CD2 3.7Å; K181-L204 HydrophobicContact CG-CD2 4.38Å
182A86Confident83.9Confident57 Ų5761.6 Ų61.647%0.47132%0.315SS..Hα-helixtrans-61.8-36.8179.600000112.8H178 I180 K186H178-A182 WeakPolarHBondContact O-CB 3.49Å; H178-A182 PolarHBondContact O-N 3.39Å; I180-A182 PolarHBondContact O-N 3.48Å; A182-K186 WeakPolarHBondContact O-CB 3.39Å; A182-K186 PolarHBondContact O-N 3.31Å
183H87.7Confident82.3Confident52 Ų5263.1 Ų63.124%0.24133%0.328CS..Hα-helixtrans-69.1-45.1176.6-165.499.8000111.9L179 I180 K181 K186 K187 M221L179-H183 PolarHBondContact O-N 2.78Å; L179-H183 VanDerWaalsContact O-N 3.15Å; I180-H183 WeakPolarHBondContact O-CB 3.45Å; I180-H183 PolarHBondContact O-N 2.9Å; K181-H183 VanDerWaalsContact C-N 3.3Å; K181-H183 PolarHBondContact O-N 3.28Å; H183-K186 PolarHBondContact O-N 3.22Å; H183-K187 VanDerWaalsContact NE2-CE 3.33Å; H183-K187 WeakPolarHBondContact NE2-CE 3.4Å; H183-K187 WeakPolarHBondContact O-CG 3.41Å; H183-K187 PolarHBondContact O-N 3.3Å; H183-K187 VanDerWaalsContact O-N 3.09Å; H183-M221 HydrophobicContact CB-CE 3.82Å; H183-M221 HydrophobicContact CB-CG 4.39Å; H183-M221 HydrophobicContact CB-SD 3.75Å
184L87Confident81.3Confident0 Ų065.3 Ų65.30%034%0.337CS..Hα-helixtrans-64.5-43.5179.1-62.8-177.8000111.2I180 K181 K186 K187 L188 L197 E200 Y201 Y219 M221I180-L184 HydrophobicContact CG2-CD1 3.6Å; I180-L184 HydrophobicContact CG2-CG 3.91Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.13Å; I180-L184 PolarHBondContact O-N 2.79Å; K181-L184 PolarHBondContact O-N 2.9Å; L184-K186 VanDerWaalsContact C-N 3.34Å; L184-K186 PolarHBondContact O-N 3.44Å; L184-K187 WeakPolarHBondContact O-CB 3.41Å; L184-K187 PolarHBondContact O-N 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.26Å; L184-L188 PolarHBondContact O-N 3.28Å; L184-L197 HydrophobicContact CD2-CD1 3.41Å; L184-L197 VanDerWaalsContact CD2-CD1 3.41Å; L184-L197 HydrophobicContact CD2-CG 4.48Å; L184-E200 HydrophobicContact CD1-CB 4.43Å; L184-Y201 HydrophobicContact CB-CD2 3.94Å; L184-Y201 HydrophobicContact CD1-CD2 4.35Å; L184-Y219 HydrophobicContact CD2-CD2 4.13Å; L184-Y219 HydrophobicContact CD2-CE2 3.81Å; L184-M221 HydrophobicContact CD2-CE 4.46Å
185E83.4Confident80.5Confident70 Ų7073.2 Ų73.233%0.32737%0.374SS..Hα-helixtrans-58.3-44.4175.1-74.7176.8179.200112.1K181 K187 L188 Q189 Y201K181-E185 WeakPolarHBondContact O-CB 3.36Å; K181-E185 WeakPolarHBondContact O-CG 3.5Å; K181-E185 PolarHBondContact O-N 2.91Å; E185-K187 VanDerWaalsContact C-N 3.33Å; E185-K187 PolarHBondContact O-N 2.98Å; E185-L188 PolarHBondContact O-N 3.27Å; E185-Q189 VanDerWaalsContact O-CG 3.29Å; E185-Q189 WeakPolarHBondContact O-CG 3.37Å; E185-Q189 PolarHBondContact O-N 3.44Å; E185-Y201 HydrophobicContact CG-CD2 4.43Å; E185-Y201 HydrophobicContact CG-CE2 3.57Å; E185-Y201 PolarHBondContact OE1-OH 2.82Å
186K83Confident79.9Confident136 Ų13676.8 Ų76.859%0.59140%0.395SS*.Hα-helixtrans-61.2-42.5176.8-174.4177.2179.3177.90111.6A182 H183 L184 Q189 D190A182-K186 WeakPolarHBondContact O-CB 3.39Å; A182-K186 PolarHBondContact O-N 3.31Å; H183-K186 PolarHBondContact O-N 3.22Å; L184-K186 VanDerWaalsContact C-N 3.34Å; L184-K186 PolarHBondContact O-N 3.44Å; K186-Q189 PolarHBondContact O-N 2.97Å; K186-D190 PolarHBondContact O-N 3.48Å; K186-D190 VanDerWaalsContact O-N 3.09Å
187K82Confident79.3Confident82 Ų8277 Ų7736%0.35740%0.396SS..Hα-helixtrans-65.4-40.6176.7-71.7-77.3-174.4174.10112.4H183 L184 E185 Q189 D190 L197H183-K187 VanDerWaalsContact NE2-CE 3.33Å; H183-K187 WeakPolarHBondContact NE2-CE 3.4Å; H183-K187 WeakPolarHBondContact O-CG 3.41Å; H183-K187 PolarHBondContact O-N 3.3Å; H183-K187 VanDerWaalsContact O-N 3.09Å; L184-K187 WeakPolarHBondContact O-CB 3.41Å; L184-K187 PolarHBondContact O-N 3.28Å; E185-K187 VanDerWaalsContact C-N 3.33Å; E185-K187 PolarHBondContact O-N 2.98Å; K187-Q189 VanDerWaalsContact C-N 3.31Å; K187-Q189 PolarHBondContact O-N 3.27Å; K187-D190 PolarHBondContact O-N 3.22Å; K187-L197 HydrophobicContact CB-CD1 4.4Å; K187-L197 HydrophobicContact CB-CD2 3.83Å
188L76.6Confident78.7Confident47 Ų4779.9 Ų79.925%0.24641%0.407CS..Hα-helixtrans-62.6-39.3175.6-72.5168000111.1L184 E185 G191 V193 L197 Y201L184-L188 WeakPolarHBondContact O-CG 3.26Å; L184-L188 PolarHBondContact O-N 3.28Å; E185-L188 PolarHBondContact O-N 3.27Å; L188-G191 PolarHBondContact O-N 2.76Å; L188-V193 HydrophobicContact CD2-CG1 4.05Å; L188-V193 HydrophobicContact CD2-CG2 4.07Å; L188-L197 HydrophobicContact CD2-CD2 3.74Å; L188-L197 HydrophobicContact CD2-CG 4.21Å; L188-L197 HydrophobicContact CG-CD2 3.92Å; L188-L197 HydrophobicContact CG-CG 4.4Å; L188-Y201 HydrophobicContact CD1-CD2 4.31Å; L188-Y201 HydrophobicContact CD1-CG 4.14Å
189Q72.9Confident78.4Confident159 Ų15981.7 Ų81.774%0.74341%0.414SS*.Hα-helixtrans-69-30.9176-70.517427.300113.7E185 K186 K187 G191E185-Q189 VanDerWaalsContact O-CG 3.29Å; E185-Q189 WeakPolarHBondContact O-CG 3.37Å; E185-Q189 PolarHBondContact O-N 3.44Å; K186-Q189 PolarHBondContact O-N 2.97Å; K187-Q189 VanDerWaalsContact C-N 3.31Å; K187-Q189 PolarHBondContact O-N 3.27Å; Q189-G191 PolarHBondContact O-N 3.42Å
190D77.4Confident78Confident115 Ų11582.3 Ų82.362%0.61542%0.417SS*.THydrogen-bonded Turntrans-72.7-1.4177.5-76-19.8000113.5K186 K187 K192K186-D190 PolarHBondContact O-N 3.48Å; K186-D190 VanDerWaalsContact O-N 3.09Å; K187-D190 PolarHBondContact O-N 3.22Å; D190-K192 VanDerWaalsContact C-N 3.33Å; D190-K192 PolarHBondContact O-N 3.03Å
191G61.9Low77.4Confident60 Ų6085.9 Ų85.962%0.61943%0.431SS*.THydrogen-bonded Turntrans814.5171.200000115.3L188 Q189 V193L188-G191 PolarHBondContact O-N 2.76Å; Q189-G191 PolarHBondContact O-N 3.42Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 2.73Å
192K57.9Low76.8Confident173 Ų17384.8 Ų84.875%0.75243%0.427SS*.  trans-9164.5171.5-68.3-173.9179-177.60110.2D190 N194D190-K192 VanDerWaalsContact C-N 3.33Å; D190-K192 PolarHBondContact O-N 3.03Å; K192-N194 PolarHBondContact O-N 2.77Å
193V55.7Low76.6Confident89 Ų8984.9 Ų84.954%0.53942%0.42SS..  trans-82.5114.4176.2-172.20000108.4L188 G191L188-V193 HydrophobicContact CD2-CG1 4.05Å; L188-V193 HydrophobicContact CD2-CG2 4.07Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 2.73Å
194N71.7Confident76.4Confident83 Ų8382.6 Ų82.644%0.44441%0.409SS..  trans-105.4154.4157.367.410.8000108.5K192 N196 L197 K198K192-N194 PolarHBondContact O-N 2.77Å; N194-N196 PolarHBondContact O-N 3.07Å; N194-L197 PolarHBondContact O-N 2.54Å; N194-L197 VanDerWaalsContact O-N 3.12Å; N194-L197 WeakPolarHBondContact OD1-CB 3.33Å; N194-L197 PolarHBondContact OD1-N 2.99Å; N194-K198 PolarHBondContact O-N 3.39Å
195E75.2Confident75.9Confident175 Ų17587.1 Ų87.182%0.81843%0.433SS*.Hα-helixtrans-56.2-34.9-178.9-71.7178.9161.700112.1L197 K198 K199E195-L197 PolarHBondContact O-N 3.41Å; E195-K198 PolarHBondContact O-N 3.37Å; E195-K199 WeakPolarHBondContact O-CB 3.41Å; E195-K199 PolarHBondContact O-N 3.37Å
196N80.5Confident75.7Confident102 Ų10286 Ų8655%0.54544%0.441SS..Hα-helixtrans-61.6-42177.4-68.7-13.2000113N194 K199 E200N194-N196 PolarHBondContact O-N 3.07Å; N196-K199 PolarHBondContact O-N 3.34Å; N196-E200 WeakPolarHBondContact O-CB 3.42Å; N196-E200 VanDerWaalsContact O-CG 3.32Å; N196-E200 WeakPolarHBondContact O-CG 3.06Å; N196-E200 PolarHBondContact O-N 3.08Å
197L79.2Confident75.7Confident4 Ų480.8 Ų80.82%0.02142%0.418CS..Hα-helixtrans-66-39.5179-176.377.6000111.2L184 K187 L188 N194 E195 Y201 Y219L184-L197 HydrophobicContact CD2-CD1 3.41Å; L184-L197 VanDerWaalsContact CD2-CD1 3.41Å; L184-L197 HydrophobicContact CD2-CG 4.48Å; K187-L197 HydrophobicContact CB-CD1 4.4Å; K187-L197 HydrophobicContact CB-CD2 3.83Å; L188-L197 HydrophobicContact CD2-CD2 3.74Å; L188-L197 HydrophobicContact CD2-CG 4.21Å; L188-L197 HydrophobicContact CG-CD2 3.92Å; L188-L197 HydrophobicContact CG-CG 4.4Å; N194-L197 PolarHBondContact O-N 2.54Å; N194-L197 VanDerWaalsContact O-N 3.12Å; N194-L197 WeakPolarHBondContact OD1-CB 3.33Å; N194-L197 PolarHBondContact OD1-N 2.99Å; E195-L197 PolarHBondContact O-N 3.41Å; L197-Y201 WeakPolarHBondContact O-CB 3.34Å; L197-Y201 PolarHBondContact O-N 3.26Å; L197-Y201 VanDerWaalsContact O-N 3.1Å; L197-Y219 HydrophobicContact CD1-CE1 4.01Å; L197-Y219 HydrophobicContact CD1-CE2 4.26Å; L197-Y219 WeakPolarHBondContact CD1-OH 3.38Å
198K76Confident76Confident86 Ų8679.7 Ų79.737%0.37442%0.418SS..Hα-helixtrans-64.8-45177.1-166.7-173.7-176.4-116.20110.4N194 E195 Y201 E202N194-K198 PolarHBondContact O-N 3.39Å; E195-K198 PolarHBondContact O-N 3.37Å; K198-Y201 WeakPolarHBondContact O-CB 3.42Å; K198-Y201 PolarHBondContact O-N 3.43Å; K198-E202 WeakPolarHBondContact CE-OE1 3.46Å; K198-E202 IonicContact NZ-OE1 3.1Å; K198-E202 PolarHBondContact NZ-OE1 2.86Å; K198-E202 WeakPolarHBondContact O-CG 3.28Å; K198-E202 PolarHBondContact O-N 3.22Å
199K80.4Confident76.6Confident126 Ų12682 Ų8255%0.54842%0.424SS..Hα-helixtrans-62.3-45.3176.9-173.9174.8-179.7-177.90112.4E195 N196 Y201 E202 D203E195-K199 WeakPolarHBondContact O-CB 3.41Å; E195-K199 PolarHBondContact O-N 3.37Å; N196-K199 PolarHBondContact O-N 3.34Å; K199-Y201 PolarHBondContact O-N 2.68Å; K199-E202 PolarHBondContact O-N 2.98Å; K199-E202 VanDerWaalsContact O-N 3.14Å; K199-D203 WeakPolarHBondContact CE-OD2 3.47Å; K199-D203 VanDerWaalsContact CG-OD2 3.29Å; K199-D203 WeakPolarHBondContact CG-OD2 3.4Å; K199-D203 WeakPolarHBondContact O-CB 3.48Å; K199-D203 PolarHBondContact O-N 3.5Å
200E83Confident77.5Confident31 Ų3179.2 Ų79.215%0.14541%0.411CS..Hα-helixtrans-61.4-30.2175.8-75.7170.216800113.1L184 N196 L204 F207 K218 Y219L184-E200 HydrophobicContact CD1-CB 4.43Å; N196-E200 WeakPolarHBondContact O-CB 3.42Å; N196-E200 VanDerWaalsContact O-CG 3.32Å; N196-E200 WeakPolarHBondContact O-CG 3.06Å; N196-E200 PolarHBondContact O-N 3.08Å; E200-L204 PolarHBondContact O-N 3.16Å; E200-F207 HydrophobicContact CB-CZ 4.4Å; E200-K218 IonicContact OE1-NZ 2.99Å; E200-K218 PolarHBondContact OE1-NZ 3.27Å; E200-K218 IonicContact OE2-NZ 3.38Å; E200-K218 PolarHBondContact OE2-NZ 2.88Å; E200-Y219 WeakPolarHBondContact OE2-CE2 3.5Å; E200-Y219 VanDerWaalsContact OE2-CZ 3.25Å; E200-Y219 PolarHBondContact OE2-OH 3.3Å
201Y79.3Confident78.2Confident75 Ų7578 Ų7829%0.29440%0.402SS..Hα-helixtrans-74.1-40.9173.9178.6-92.2000112.2K181 L184 E185 L188 L197 K198 K199K181-Y201 HydrophobicContact CG-CE2 3.8Å; L184-Y201 HydrophobicContact CB-CD2 3.94Å; L184-Y201 HydrophobicContact CD1-CD2 4.35Å; E185-Y201 HydrophobicContact CG-CD2 4.43Å; E185-Y201 HydrophobicContact CG-CE2 3.57Å; E185-Y201 PolarHBondContact OE1-OH 2.82Å; L188-Y201 HydrophobicContact CD1-CD2 4.31Å; L188-Y201 HydrophobicContact CD1-CG 4.14Å; L197-Y201 WeakPolarHBondContact O-CB 3.34Å; L197-Y201 PolarHBondContact O-N 3.26Å; L197-Y201 VanDerWaalsContact O-N 3.1Å; K198-Y201 WeakPolarHBondContact O-CB 3.42Å; K198-Y201 PolarHBondContact O-N 3.43Å; K199-Y201 PolarHBondContact O-N 2.68Å
202E76.2Confident79.6Confident58 Ų5875.7 Ų75.727%0.27138%0.375SS..Hα-helixtrans-70.2-33.2178.6-71.6169.2175.900112.8K198 K199 N393K198-E202 WeakPolarHBondContact CE-OE1 3.46Å; K198-E202 IonicContact NZ-OE1 3.1Å; K198-E202 PolarHBondContact NZ-OE1 2.86Å; K198-E202 WeakPolarHBondContact O-CG 3.28Å; K198-E202 PolarHBondContact O-N 3.22Å; K199-E202 PolarHBondContact O-N 2.98Å; K199-E202 VanDerWaalsContact O-N 3.14Å; E202-N393 PolarHBondContact O-ND2 3.08Å
203D81.6Confident81.3Confident60 Ų6068.9 Ų68.932%0.32135%0.345SS..SBendtrans-89.7-5.1-177.2-68.4-23.5000113.4K199 D205 G206 F207K199-D203 WeakPolarHBondContact CE-OD2 3.47Å; K199-D203 VanDerWaalsContact CG-OD2 3.29Å; K199-D203 WeakPolarHBondContact CG-OD2 3.4Å; K199-D203 WeakPolarHBondContact O-CB 3.48Å; K199-D203 PolarHBondContact O-N 3.5Å; D203-D205 VanDerWaalsContact C-N 3.34Å; D203-D205 PolarHBondContact O-N 3.18Å; D203-G206 PolarHBondContact O-N 3.35Å; D203-F207 HydrophobicContact CB-CD1 4.43Å; D203-F207 HydrophobicContact CB-CE1 3.66Å; D203-F207 HydrophobicContact CB-CZ 4.4Å; D203-F207 VanDerWaalsContact O-CD1 3.26Å; D203-F207 WeakPolarHBondContact O-CD1 3.44Å; D203-F207 WeakPolarHBondContact O-CE1 3.42Å
204L83.2Confident83.1Confident4 Ų467.1 Ų67.12%0.02134%0.34CS..G310 helixtrans-56-40.7-167.8179.658.8000114.3D177 I180 K181 E200 G206 F207D177-L204 WeakPolarHBondContact O-CD2 3.14Å; I180-L204 HydrophobicContact CB-CD1 3.93Å; I180-L204 HydrophobicContact CB-CD2 4.24Å; I180-L204 HydrophobicContact CD1-CD1 4.04Å; I180-L204 HydrophobicContact CG2-CD1 3.54Å; I180-L204 HydrophobicContact CG2-CD2 3.98Å; I180-L204 HydrophobicContact CG2-CG 4.42Å; K181-L204 HydrophobicContact CB-CD2 3.7Å; K181-L204 HydrophobicContact CG-CD2 4.38Å; E200-L204 PolarHBondContact O-N 3.16Å; L204-G206 PolarHBondContact O-N 2.93Å; L204-F207 HydrophobicContact CD1-CD2 3.58Å; L204-F207 HydrophobicContact CD1-CE2 3.82Å; L204-F207 HydrophobicContact CD1-CG 4.33Å; L204-F207 WeakPolarHBondContact O-CB 3.43Å; L204-F207 PolarHBondContact O-N 3.18Å; L204-F207 VanDerWaalsContact O-N 3.14Å
205D76.2Confident84.1Confident95 Ų9563.6 Ų63.651%0.50832%0.322SS..G310 helixtrans-66-18-178.5-69.3-18.9000112.3D203 E394D203-D205 VanDerWaalsContact C-N 3.34Å; D203-D205 PolarHBondContact O-N 3.18Å; D205-E394 HydrophobicContact CB-CG 4.34Å
206G78.8Confident84.9Confident47 Ų4756 Ų5649%0.48529%0.286SS..G310 helixtrans-95.60.5176.500000115.1D203 L204D203-G206 PolarHBondContact O-N 3.35Å; L204-G206 PolarHBondContact O-N 2.93Å
207F84.8Confident85.5Confident26 Ų2657 Ų5711%0.11429%0.288CS..  trans-70.5136.5-174-75.51.7000113.4E200 D203 L204 E211 M212 V215E200-F207 HydrophobicContact CB-CZ 4.4Å; D203-F207 HydrophobicContact CB-CD1 4.43Å; D203-F207 HydrophobicContact CB-CE1 3.66Å; D203-F207 HydrophobicContact CB-CZ 4.4Å; D203-F207 VanDerWaalsContact O-CD1 3.26Å; D203-F207 WeakPolarHBondContact O-CD1 3.44Å; D203-F207 WeakPolarHBondContact O-CE1 3.42Å; L204-F207 HydrophobicContact CD1-CD2 3.58Å; L204-F207 HydrophobicContact CD1-CE2 3.82Å; L204-F207 HydrophobicContact CD1-CG 4.33Å; L204-F207 WeakPolarHBondContact O-CB 3.43Å; L204-F207 PolarHBondContact O-N 3.18Å; L204-F207 VanDerWaalsContact O-N 3.14Å; F207-E211 HydrophobicContact CB-CB 4Å; F207-E211 HydrophobicContact CD1-CB 4.27Å; F207-E211 HydrophobicContact CD2-CB 4.26Å; F207-E211 HydrophobicContact CG-CB 3.93Å; F207-M212 HydrophobicContact CB-CE 4Å; F207-M212 HydrophobicContact CB-CG 3.7Å; F207-M212 HydrophobicContact CD2-CG 4.18Å; F207-M212 HydrophobicContact CG-CG 4.49Å; F207-V215 HydrophobicContact CE2-CB 4.47Å; F207-V215 HydrophobicContact CE2-CG2 3.76Å; F207-V215 HydrophobicContact CZ-CG2 4.35Å
208T87.6Confident86.1Confident59 Ų5962.2 Ų62.236%0.36231%0.31SS..  trans-71.2164.3161.761.50000111.2Q210 E211 M212T208-Q210 PolarHBondContact O-N 3.01Å; T208-Q210 PolarHBondContact OG1-OE1 2.97Å; T208-E211 WeakPolarHBondContact CB-OE2 3.48Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.38Å; T208-E211 PolarHBondContact N-OE2 3.01Å; T208-E211 PolarHBondContact O-N 3.19Å; T208-E211 VanDerWaalsContact O-N 3.14Å; T208-E211 WeakPolarHBondContact OG1-CG 3.5Å; T208-E211 PolarHBondContact OG1-N 2.85Å; T208-E211 PolarHBondContact OG1-OE2 3.36Å; T208-M212 WeakPolarHBondContact O-CG 3.49Å; T208-M212 PolarHBondContact O-N 3.4Å
209W88.7Confident86.7Confident96 Ų9660.4 Ų60.436%0.36430%0.302SS..Hα-helixtrans-60.3-32.217771.8-92.9000112.7Y163 Q213 P233Y163-W209 HydrophobicContact CD1-CB 3.7Å; Y163-W209 HydrophobicContact CE1-CB 3.54Å; Y163-W209 HydrophobicContact CE1-CG 4.26Å; Y163-W209 HydrophobicContact CE2-CB 4.37Å; Y163-W209 HydrophobicContact CG-CB 4.21Å; W209-Q213 VanDerWaalsContact CZ3-OE1 3.3Å; W209-Q213 WeakPolarHBondContact O-CB 3.33Å; W209-Q213 PolarHBondContact O-N 2.93Å; W209-P233 HydrophobicContact CB-CB 4.23Å
210Q92.7Very high87.2Confident99 Ų9956.5 Ų56.546%0.46330%0.297SS..Hα-helixtrans-68.5-40.8176-61.794.5-28.900112T208 Q213 A214T208-Q210 PolarHBondContact O-N 3.01Å; T208-Q210 PolarHBondContact OG1-OE1 2.97Å; Q210-Q213 PolarHBondContact O-N 2.76Å; Q210-A214 WeakPolarHBondContact O-CB 3.42Å; Q210-A214 PolarHBondContact O-N 3.46Å
211E91.2Very high87.8Confident91 Ų9155.3 Ų55.343%0.42529%0.291SS..Hα-helixtrans-67.6-42.4176.6-71.7163.1138.600111F207 T208 Q213 A214 V215F207-E211 HydrophobicContact CB-CB 4Å; F207-E211 HydrophobicContact CD1-CB 4.27Å; F207-E211 HydrophobicContact CD2-CB 4.26Å; F207-E211 HydrophobicContact CG-CB 3.93Å; T208-E211 WeakPolarHBondContact CB-OE2 3.48Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.38Å; T208-E211 PolarHBondContact N-OE2 3.01Å; T208-E211 PolarHBondContact O-N 3.19Å; T208-E211 VanDerWaalsContact O-N 3.14Å; T208-E211 WeakPolarHBondContact OG1-CG 3.5Å; T208-E211 PolarHBondContact OG1-N 2.85Å; T208-E211 PolarHBondContact OG1-OE2 3.36Å; E211-Q213 VanDerWaalsContact C-N 3.34Å; E211-Q213 PolarHBondContact O-N 3.2Å; E211-A214 PolarHBondContact O-N 3.45Å; E211-V215 WeakPolarHBondContact O-CG2 3.48Å; E211-V215 PolarHBondContact O-N 3.4Å
212M92.2Very high88.5Confident11 Ų1156.3 Ų56.35%0.05430%0.297CS..Hα-helixtrans-58.8-45.4172.6-69.2-171.2-17800111.5Y163 A176 D177 I180 F207 T208 V215 I216 P233Y163-M212 HydrophobicContact CD2-CE 4.05Å; Y163-M212 HydrophobicContact CD2-SD 3.87Å; Y163-M212 HydrophobicContact CG-SD 4.28Å; A176-M212 HydrophobicContact CB-SD 3.75Å; D177-M212 HydrophobicContact CB-CE 4.07Å; I180-M212 HydrophobicContact CD1-CB 3.81Å; I180-M212 HydrophobicContact CD1-CG 3.92Å; F207-M212 HydrophobicContact CB-CE 4Å; F207-M212 HydrophobicContact CB-CG 3.7Å; F207-M212 HydrophobicContact CD2-CG 4.18Å; F207-M212 HydrophobicContact CG-CG 4.49Å; T208-M212 WeakPolarHBondContact O-CG 3.49Å; T208-M212 PolarHBondContact O-N 3.4Å; M212-V215 PolarHBondContact O-N 2.92Å; M212-I216 WeakPolarHBondContact O-CB 3.41Å; M212-I216 VanDerWaalsContact O-CG1 3.23Å; M212-I216 WeakPolarHBondContact O-CG1 3.36Å; M212-I216 PolarHBondContact O-N 2.85Å; M212-P233 HydrophobicContact CB-CG 4.13Å
213Q93.6Very high89.2Confident29 Ų2953.7 Ų53.714%0.13629%0.286CS..Hα-helixtrans-59.8-48.7175.7178.5171.2-5.400111.5W209 Q210 E211 V215 I216 E217 E232 P233W209-Q213 VanDerWaalsContact CZ3-OE1 3.3Å; W209-Q213 WeakPolarHBondContact O-CB 3.33Å; W209-Q213 PolarHBondContact O-N 2.93Å; Q210-Q213 PolarHBondContact O-N 2.76Å; E211-Q213 VanDerWaalsContact C-N 3.34Å; E211-Q213 PolarHBondContact O-N 3.2Å; Q213-V215 VanDerWaalsContact C-N 3.28Å; Q213-V215 PolarHBondContact O-N 3.49Å; Q213-I216 PolarHBondContact O-N 2.94Å; Q213-E217 HydrophobicContact CG-CG 4.34Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.44Å; Q213-E217 PolarHBondContact NE2-OE1 2.8Å; Q213-E217 WeakPolarHBondContact O-CB 3.42Å; Q213-E217 WeakPolarHBondContact O-CG 3.11Å; Q213-E217 PolarHBondContact O-N 3.37Å; Q213-E232 PolarHBondContact NE2-OE1 2.99Å; Q213-E232 VanDerWaalsContact NE2-OE1 3.14Å; Q213-P233 HydrophobicContact CB-CG 4.15Å
214A93.3Very high89.5Confident53 Ų5354.9 Ų54.944%0.43830%0.297SS..Hα-helixtrans-58.7-40.3-18000000111.9Q210 E211 K218Q210-A214 WeakPolarHBondContact O-CB 3.42Å; Q210-A214 PolarHBondContact O-N 3.46Å; E211-A214 PolarHBondContact O-N 3.45Å; A214-K218 WeakPolarHBondContact O-CB 3.48Å; A214-K218 PolarHBondContact O-N 2.82Å
215V92.1Very high89.7Confident8 Ų859 Ų595%0.04832%0.322CS..Hα-helixtrans-70.4-42177.5171.40000111.9I180 F207 E211 M212 Q213 E217 K218 Y219 M221I180-V215 HydrophobicContact CG1-CG1 4.48Å; I180-V215 HydrophobicContact CG2-CG1 3.79Å; F207-V215 HydrophobicContact CE2-CB 4.47Å; F207-V215 HydrophobicContact CE2-CG2 3.76Å; F207-V215 HydrophobicContact CZ-CG2 4.35Å; E211-V215 WeakPolarHBondContact O-CG2 3.48Å; E211-V215 PolarHBondContact O-N 3.4Å; M212-V215 PolarHBondContact O-N 2.92Å; Q213-V215 VanDerWaalsContact C-N 3.28Å; Q213-V215 PolarHBondContact O-N 3.49Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 3.09Å; V215-K218 PolarHBondContact O-N 3.48Å; V215-Y219 HydrophobicContact CG1-CD2 3.85Å; V215-Y219 HydrophobicContact CG1-CE2 4.02Å; V215-Y219 WeakPolarHBondContact O-CD2 3.44Å; V215-Y219 PolarHBondContact O-N 2.85Å; V215-Y219 VanDerWaalsContact O-N 3.1Å; V215-M221 HydrophobicContact CG1-CE 3.95Å
216I93.1Very high90.4Very high15 Ų1557.2 Ų57.28%0.07731%0.314CS..Hα-helixtrans-58.5-45.6174.7-74.5168.2000110.7V165 I180 M212 Q213 G220 M221 P233V165-I216 HydrophobicContact CG1-CD1 3.95Å; I180-I216 HydrophobicContact CD1-CD1 4.14Å; I180-I216 HydrophobicContact CD1-CG1 3.97Å; I180-I216 HydrophobicContact CG1-CD1 4.26Å; I180-I216 HydrophobicContact CG1-CG1 3.78Å; M212-I216 WeakPolarHBondContact O-CB 3.41Å; M212-I216 VanDerWaalsContact O-CG1 3.23Å; M212-I216 WeakPolarHBondContact O-CG1 3.36Å; M212-I216 PolarHBondContact O-N 2.85Å; Q213-I216 PolarHBondContact O-N 2.94Å; I216-G220 PolarHBondContact O-N 3.39Å; I216-M221 HydrophobicContact CG1-SD 4.17Å; I216-M221 HydrophobicContact CG2-CB 4.23Å; I216-M221 PolarHBondContact O-N 3.42Å; I216-P233 HydrophobicContact CD1-CG 4.34Å
217E93.1Very high91Very high124 Ų12457.3 Ų57.358%0.57932%0.315SS*.Hα-helixtrans-68.3-46.6178.3-71.8176.8-177.100111.9Q213 V215 Y219 G220Q213-E217 HydrophobicContact CG-CG 4.34Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.44Å; Q213-E217 PolarHBondContact NE2-OE1 2.8Å; Q213-E217 WeakPolarHBondContact O-CB 3.42Å; Q213-E217 WeakPolarHBondContact O-CG 3.11Å; Q213-E217 PolarHBondContact O-N 3.37Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 3.09Å; E217-Y219 VanDerWaalsContact C-N 3.29Å; E217-Y219 PolarHBondContact O-N 3.37Å; E217-G220 PolarHBondContact O-N 3.46Å
218K90.7Very high91.5Very high113 Ų11357.2 Ų57.249%0.49132%0.316SS..Hα-helixtrans-54.9-42.4179.1176.3-178174.7-175.10112.5E200 A214 V215E200-K218 IonicContact OE1-NZ 2.99Å; E200-K218 PolarHBondContact OE1-NZ 3.27Å; E200-K218 IonicContact OE2-NZ 3.38Å; E200-K218 PolarHBondContact OE2-NZ 2.88Å; A214-K218 WeakPolarHBondContact O-CB 3.48Å; A214-K218 PolarHBondContact O-N 2.82Å; V215-K218 PolarHBondContact O-N 3.48Å
219Y89.9Confident91.9Very high49 Ų4958.4 Ų58.419%0.19232%0.32CS..THydrogen-bonded Turntrans-94.31.7179.1-65.9-66.8000113.8L184 L197 E200 V215 E217 M221L184-Y219 HydrophobicContact CD2-CD2 4.13Å; L184-Y219 HydrophobicContact CD2-CE2 3.81Å; L197-Y219 HydrophobicContact CD1-CE1 4.01Å; L197-Y219 HydrophobicContact CD1-CE2 4.26Å; L197-Y219 WeakPolarHBondContact CD1-OH 3.38Å; E200-Y219 WeakPolarHBondContact OE2-CE2 3.5Å; E200-Y219 VanDerWaalsContact OE2-CZ 3.25Å; E200-Y219 PolarHBondContact OE2-OH 3.3Å; V215-Y219 HydrophobicContact CG1-CD2 3.85Å; V215-Y219 HydrophobicContact CG1-CE2 4.02Å; V215-Y219 WeakPolarHBondContact O-CD2 3.44Å; V215-Y219 PolarHBondContact O-N 2.85Å; V215-Y219 VanDerWaalsContact O-N 3.1Å; E217-Y219 VanDerWaalsContact C-N 3.29Å; E217-Y219 PolarHBondContact O-N 3.37Å; Y219-M221 VanDerWaalsContact C-N 3.27Å; Y219-M221 HydrophobicContact CD2-CE 3.8Å; Y219-M221 HydrophobicContact CG-CE 4.17Å; Y219-M221 PolarHBondContact O-N 2.92Å
220G91Very high92.2Very high43 Ų4354.6 Ų54.644%0.44331%0.306SS..THydrogen-bonded Turntrans57.639.6179.900000112.7I216 E217I216-G220 PolarHBondContact O-N 3.39Å; E217-G220 PolarHBondContact O-N 3.46Å
221M93.6Very high92.3Very high7 Ų751.1 Ų51.13%0.03429%0.293CS..  trans-65.2140.6-176.3-54.1-171.9-169.700110.6I180 H183 L184 V215 I216 Y219I180-M221 HydrophobicContact CB-CE 4.41Å; I180-M221 HydrophobicContact CB-SD 4.47Å; I180-M221 HydrophobicContact CG1-CE 4.27Å; I180-M221 HydrophobicContact CG1-SD 4.04Å; I180-M221 HydrophobicContact CG2-CE 4.19Å; H183-M221 HydrophobicContact CB-CE 3.82Å; H183-M221 HydrophobicContact CB-CG 4.39Å; H183-M221 HydrophobicContact CB-SD 3.75Å; L184-M221 HydrophobicContact CD2-CE 4.46Å; V215-M221 HydrophobicContact CG1-CE 3.95Å; I216-M221 HydrophobicContact CG1-SD 4.17Å; I216-M221 HydrophobicContact CG2-CB 4.23Å; I216-M221 PolarHBondContact O-N 3.42Å; Y219-M221 VanDerWaalsContact C-N 3.27Å; Y219-M221 HydrophobicContact CD2-CE 3.8Å; Y219-M221 HydrophobicContact CG-CE 4.17Å; Y219-M221 PolarHBondContact O-N 2.92Å
222K94.2Very high92.4Very high95 Ų9552 Ų5241%0.41330%0.297SS..  trans-126.9167.7-178.5-59-62.4176.5-171.30109.7P224 N228 D229K222-P224 WeakPolarHBondContact O-CD 3.13Å; K222-N228 WeakPolarHBondContact CA-O 3.45Å; K222-N228 WeakPolarHBondContact CB-O 3.43Å; K222-D229 WeakPolarHBondContact CE-OD1 3.13Å; K222-D229 IonicContact NZ-OD1 2.93Å; K222-D229 PolarHBondContact NZ-OD1 3.3Å
223S91.9Very high92.5Very high4 Ų451.8 Ų51.83%0.02830%0.297CS..  trans-50122.8170.9172.40000110.5D167 V225 T226 G227 N228D167-S223 VanDerWaalsContact OD2-CB 3.26Å; D167-S223 WeakPolarHBondContact OD2-CB 3.26Å; D167-S223 PolarHBondContact OD2-OG 2.9Å; D167-S223 VanDerWaalsContact OD2-OG 3.1Å; S223-V225 PolarHBondContact O-N 3.05Å; S223-T226 WeakPolarHBondContact CB-OG1 3.38Å; S223-T226 PolarHBondContact OG-N 2.9Å; S223-T226 PolarHBondContact OG-OG1 3.21Å; S223-T226 VanDerWaalsContact OG-OG1 3.04Å; S223-G227 VanDerWaalsContact O-CA 3.31Å; S223-G227 WeakPolarHBondContact O-CA 3.43Å; S223-G227 PolarHBondContact O-N 3.01Å; S223-N228 PolarHBondContact N-O 3.28Å
224P87.4Confident92.5Very high85 Ų8554.7 Ų54.755%0.55231%0.313SS*.THydrogen-bonded Turntrans-62-22179.9-25.234.2000114.1F174 L179 K222F174-P224 HydrophobicContact CD1-CG 4.33Å; F174-P224 HydrophobicContact CE1-CG 4.19Å; L179-P224 HydrophobicContact CD1-CG 3.34Å; K222-P224 WeakPolarHBondContact O-CD 3.13Å
225V86.8Confident92.4Very high90 Ų9055.6 Ų55.655%0.54532%0.32SS..THydrogen-bonded Turntrans-94.4-45.1-173.8-177.80000111.1F174 S223F174-V225 HydrophobicContact CE1-CG2 4.15Å; F174-V225 HydrophobicContact CZ-CG2 4.07Å; S223-V225 PolarHBondContact O-N 3.05Å
226T91.7Very high92.3Very high58 Ų5858 Ų5836%0.35633%0.33SS..THydrogen-bonded Turntrans-110.6-18.5-170.266.40000113.5D167 T170 S223 N228D167-T226 PolarHBondContact OD2-OG1 3.26Å; T170-T226 HydrophobicContact CG2-CG2 3.93Å; S223-T226 WeakPolarHBondContact CB-OG1 3.38Å; S223-T226 PolarHBondContact OG-N 2.9Å; S223-T226 PolarHBondContact OG-OG1 3.21Å; S223-T226 VanDerWaalsContact OG-OG1 3.04Å; T226-N228 WeakPolarHBondContact CB-ND2 3.44Å; T226-N228 PolarHBondContact O-N 3.34Å; T226-N228 WeakPolarHBondContact OG1-CB 3.22Å; T226-N228 PolarHBondContact OG1-N 2.56Å; T226-N228 VanDerWaalsContact OG1-N 3.1Å; T226-N228 PolarHBondContact OG1-ND2 2.83Å
227G91.6Very high92.2Very high48 Ų4859.5 Ų59.550%0.49534%0.338SS..  trans72.78.1-170.100000115S223S223-G227 VanDerWaalsContact O-CA 3.31Å; S223-G227 WeakPolarHBondContact O-CA 3.43Å; S223-G227 PolarHBondContact O-N 3.01Å
228N94.8Very high92.3Very high25 Ų2554.1 Ų54.113%0.13431%0.313CS..PPolyproline II helixtrans-73.4164.7177.8-65.3-40.4000113.2D167 K169 K222 S223 T226D167-N228 VanDerWaalsContact OD1-CB 3.28Å; D167-N228 WeakPolarHBondContact OD1-CB 3.27Å; D167-N228 PolarHBondContact OD1-ND2 2.88Å; D167-N228 VanDerWaalsContact OD1-ND2 3.09Å; D167-N228 PolarHBondContact OD2-ND2 3.24Å; K169-N228 WeakPolarHBondContact CD-OD1 3.42Å; K169-N228 WeakPolarHBondContact CE-OD1 3.23Å; K169-N228 HydrophobicContact CG-CB 4.43Å; K169-N228 PolarHBondContact NZ-OD1 3.49Å; K222-N228 WeakPolarHBondContact CA-O 3.45Å; K222-N228 WeakPolarHBondContact CB-O 3.43Å; S223-N228 PolarHBondContact N-O 3.28Å; T226-N228 WeakPolarHBondContact CB-ND2 3.44Å; T226-N228 PolarHBondContact O-N 3.34Å; T226-N228 WeakPolarHBondContact OG1-CB 3.22Å; T226-N228 PolarHBondContact OG1-N 2.56Å; T226-N228 VanDerWaalsContact OG1-N 3.1Å; T226-N228 PolarHBondContact OG1-ND2 2.83Å
229D95.7Very high92.5Very high84 Ų8448.8 Ų48.845%0.44929%0.291SS..PPolyproline II helixtrans-63.7145.7172-64.4-27.1000112K168 K222K168-D229 WeakPolarHBondContact CB-O 3.48Å; K168-D229 HydrophobicContact CD-CB 3.91Å; K168-D229 PolarHBondContact N-O 3.44Å; K222-D229 WeakPolarHBondContact CE-OD1 3.13Å; K222-D229 IonicContact NZ-OD1 2.93Å; K222-D229 PolarHBondContact NZ-OD1 3.3Å
230L95.2Very high92.8Very high15 Ų1549 Ų498%0.07929%0.292CS..BIsolated β-bridgetrans-99.8153.1177.9-65.5167.1000111.1V165 K166 K168 F174 L179V165-L230 HydrophobicContact CB-CB 4.41Å; V165-L230 HydrophobicContact CG2-CD1 4.2Å; V165-L230 HydrophobicContact CG2-CD2 4.22Å; K166-L230 CarbonylContact O-C 3.54Å; K166-L230 VanDerWaalsContact O-CA 3.28Å; K166-L230 WeakPolarHBondContact O-CA 3.3Å; K168-L230 WeakPolarHBondContact CE-O 3.29Å; K168-L230 PolarHBondContact NZ-O 3.12Å; F174-L230 HydrophobicContact CD2-CD2 4.12Å; F174-L230 HydrophobicContact CE2-CD2 4.42Å; L179-L230 HydrophobicContact CD2-CD1 3.28Å
231S94.4Very high93Very high27 Ų2751.7 Ų51.719%0.18930%0.302CS..PPolyproline II helixtrans-67.8169.2166.474.70000111.2K166K166-S231 PolarHBondContact N-OG 3.42Å; K166-S231 PolarHBondContact O-N 2.99Å
232E94.4Very high93.1Very high109 Ų10954 Ų5451%0.50932%0.317SS..PPolyproline II helixtrans-62.6154.3163.5-59.5-177.6159.900110.1Q213 L234Q213-E232 PolarHBondContact NE2-OE1 2.99Å; Q213-E232 VanDerWaalsContact NE2-OE1 3.14Å; E232-L234 PolarHBondContact O-N 2.88Å
233P94.2Very high93.2Very high7 Ų752 Ų525%0.04532%0.315CS..PPolyproline II helixtrans-63.9127.4173.9-18.731.8000111.2M164 V165 A176 W209 M212 Q213 I216M164-P233 CarbonylContact O-C 3.53Å; M164-P233 WeakPolarHBondContact O-CA 3.26Å; V165-P233 HydrophobicContact CG1-CB 4.12Å; V165-P233 HydrophobicContact CG1-CG 3.93Å; A176-P233 HydrophobicContact CB-CB 4.41Å; W209-P233 HydrophobicContact CB-CB 4.23Å; M212-P233 HydrophobicContact CB-CG 4.13Å; Q213-P233 HydrophobicContact CB-CG 4.15Å; I216-P233 HydrophobicContact CD1-CG 4.34Å
234L93Very high93.3Very high89 Ų8954.1 Ų54.147%0.46633%0.325SS..EExtended strand (participates in β ladder)trans-114133.7179.8-64.4170.8000109.6Y163 M164 E232 F236Y163-L234 WeakPolarHBondContact CA-O 3.32Å; M164-L234 HydrophobicContact CG-CB 4.29Å; M164-L234 PolarHBondContact N-O 3.17Å; M164-L234 PolarHBondContact O-N 2.97Å; E232-L234 PolarHBondContact O-N 2.88Å; L234-F236 PolarHBondContact O-N 3.48Å
235A91Very high93.6Very high73 Ų7352.3 Ų52.360%0.60332%0.322SS*.EExtended strand (participates in β ladder)trans-65.4133.2174.200000110.7Y163Y163-A235 HydrophobicContact CD1-CB 4.23Å; Y163-A235 HydrophobicContact CE1-CB 4.01Å
236F91Very high93.9Very high58 Ų5854.7 Ų54.725%0.25434%0.339SS..EExtended strand (participates in β ladder)trans-134120.1-179.5-176.6-115.8000111.2C161 D162 M164 L234 L238 N290 I292C161-F236 VanDerWaalsContact CA-O 3.23Å; C161-F236 WeakPolarHBondContact CA-O 3.41Å; D162-F236 PolarHBondContact N-O 2.9Å; D162-F236 PolarHBondContact O-N 3.3Å; M164-F236 HydrophobicContact CE-CB 3.35Å; M164-F236 HydrophobicContact CE-CD1 3.62Å; M164-F236 HydrophobicContact CE-CD2 3.08Å; M164-F236 HydrophobicContact CE-CE1 4.07Å; M164-F236 HydrophobicContact CE-CE2 3.62Å; M164-F236 HydrophobicContact CE-CG 3.06Å; M164-F236 HydrophobicContact CE-CZ 4.07Å; M164-F236 HydrophobicContact CG-CB 4.48Å; L234-F236 PolarHBondContact O-N 3.48Å; F236-L238 HydrophobicContact CD1-CD2 4.04Å; F236-L238 PolarHBondContact O-N 3.41Å; F236-N290 HydrophobicContact CE1-CB 4.47Å; F236-N290 VanDerWaalsContact CE1-O 3.25Å; F236-N290 WeakPolarHBondContact CE1-O 3.39Å; F236-N290 WeakPolarHBondContact CZ-ND2 3.38Å; F236-I292 HydrophobicContact CB-CD1 4.28Å; F236-I292 HydrophobicContact CD1-CD1 3.9Å; F236-I292 HydrophobicContact CD1-CG1 3.42Å; F236-I292 VanDerWaalsContact CD1-CG1 3.42Å; F236-I292 HydrophobicContact CE1-CG1 3.85Å; F236-I292 HydrophobicContact CG-CG1 4.31Å
237N91.1Very high94Very high46 Ų4656.5 Ų56.525%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-70.7123.4176.5-169.1-35000109.9M239N237-M239 VanDerWaalsContact C-N 3.31Å; N237-M239 WeakPolarHBondContact OD1-CB 3.36Å; N237-M239 PolarHBondContact OD1-N 2.89Å
238L93.9Very high93.9Very high11 Ų1156.4 Ų56.46%0.05835%0.349CS..  trans-86.21.7-178-55.4171.4000112.9F160 D162 F236 R289 N290 I292F160-L238 HydrophobicContact CD1-CB 3.7Å; F160-L238 HydrophobicContact CD1-CD1 4.34Å; F160-L238 HydrophobicContact CE1-CB 3.88Å; F160-L238 HydrophobicContact CE1-CD1 4.3Å; F160-L238 PolarHBondContact O-N 3.25Å; D162-L238 HydrophobicContact CB-CD1 4.32Å; D162-L238 HydrophobicContact CB-CD2 4.16Å; D162-L238 HydrophobicContact CB-CG 4.41Å; D162-L238 WeakPolarHBondContact OD2-CD1 3.49Å; F236-L238 HydrophobicContact CD1-CD2 4.04Å; F236-L238 PolarHBondContact O-N 3.41Å; L238-R289 CarbonylContact O-C 3.53Å; L238-R289 WeakPolarHBondContact O-CA 3.28Å; L238-N290 WeakPolarHBondContact O-CB 3.3Å; L238-N290 PolarHBondContact O-N 2.94Å; L238-I292 HydrophobicContact CD2-CD1 4.23Å; L238-I292 HydrophobicContact CD2-CG1 4.28Å
239M95.9Very high93.8Very high2 Ų261.8 Ų61.81%0.0138%0.377CS..SBendtrans-87.7146175-58.5-171.6-69.500110.1L151 H156 V157 F160 N237 P241 Y253 P256L151-M239 HydrophobicContact CD1-SD 3.81Å; H156-M239 HydrophobicContact CB-CE 4.38Å; H156-M239 HydrophobicContact CB-SD 4Å; V157-M239 HydrophobicContact CB-CE 4.41Å; V157-M239 HydrophobicContact CG2-CE 4.04Å; F160-M239 HydrophobicContact CB-CG 4.19Å; F160-M239 HydrophobicContact CB-SD 4.38Å; F160-M239 HydrophobicContact CD1-CG 3.59Å; F160-M239 HydrophobicContact CE1-CG 4.36Å; F160-M239 HydrophobicContact CG-CG 4.16Å; N237-M239 VanDerWaalsContact C-N 3.31Å; N237-M239 WeakPolarHBondContact OD1-CB 3.36Å; N237-M239 PolarHBondContact OD1-N 2.89Å; M239-P241 WeakPolarHBondContact O-CD 3.4Å; M239-Y253 HydrophobicContact CB-CD1 3.47Å; M239-Y253 VanDerWaalsContact CB-CD1 3.47Å; M239-Y253 HydrophobicContact CB-CE1 4.08Å; M239-Y253 HydrophobicContact CB-CG 4.16Å; M239-Y253 HydrophobicContact CE-CD1 4.16Å; M239-Y253 HydrophobicContact CE-CE1 4.08Å; M239-Y253 HydrophobicContact CE-CG 4.41Å; M239-Y253 HydrophobicContact SD-CD1 4.46Å; M239-Y253 HydrophobicContact SD-CG 4.44Å; M239-P256 HydrophobicContact CG-CB 4.23Å; M239-P256 HydrophobicContact CG-CG 4.15Å; M239-P256 HydrophobicContact SD-CG 3.97Å
240F96.1Very high93.8Very high53 Ų5361 Ų6123%0.23238%0.376CS..EExtended strand (participates in β ladder)trans-84.9108.6172.1-74.4-81.3000109.8Y253 L254 F288 R289 N290 R302F240-Y253 CarbonylContact O-C 3.56Å; F240-Y253 VanDerWaalsContact O-CA 3.24Å; F240-Y253 WeakPolarHBondContact O-CA 3.3Å; F240-L254 HydrophobicContact CB-CB 4.15Å; F240-L254 HydrophobicContact CB-CD1 3.95Å; F240-L254 HydrophobicContact CB-CG 4.14Å; F240-L254 HydrophobicContact CG-CD1 4.4Å; F240-L254 PolarHBondContact O-N 2.92Å; F240-F288 HydrophobicContact CD2-CB 3.76Å; F240-F288 HydrophobicContact CE2-CB 4.19Å; F240-R289 VanDerWaalsContact CE2-C 3.42Å; F240-N290 HydrophobicContact CD1-CB 4.06Å; F240-N290 HydrophobicContact CD2-CB 4.06Å; F240-N290 HydrophobicContact CE1-CB 3.79Å; F240-N290 WeakPolarHBondContact CE1-OD1 3.43Å; F240-N290 VanDerWaalsContact CE2-CA 3.48Å; F240-N290 HydrophobicContact CE2-CB 3.84Å; F240-N290 VanDerWaalsContact CE2-N 3.29Å; F240-N290 HydrophobicContact CG-CB 4.21Å; F240-N290 VanDerWaalsContact CZ-CA 3.46Å; F240-N290 HydrophobicContact CZ-CB 3.69Å; F240-R302 HydrophobicContact CE2-CB 4.27Å; F240-R302 HydrophobicContact CZ-CB 4.09Å; F240-R302 HydrophobicContact CZ-CG 4.35Å
241P96Very high93.8Very high99 Ų9963.4 Ų63.464%0.64339%0.392SS*.EExtended strand (participates in β ladder)trans-69.3146.9176.830.9-35.6000110.5M239 Y253M239-P241 WeakPolarHBondContact O-CD 3.4Å; P241-Y253 HydrophobicContact CB-CD1 4.14Å; P241-Y253 HydrophobicContact CB-CE1 3.92Å
242T95.7Very high93.9Very high56 Ų5662.2 Ų62.234%0.34438%0.384SS..EExtended strand (participates in β ladder)trans-146.9169.4173.6-170.20000109.9L145 G252L145-T242 HydrophobicContact CD2-CG2 3.87Å; T242-G252 PolarHBondContact N-O 3.14Å; T242-G252 CarbonylContact O-C 3.44Å; T242-G252 PolarHBondContact O-N 3.2Å
243S95.8Very high94.1Very high53 Ų5358.4 Ų58.437%0.37137%0.365SS..EExtended strand (participates in β ladder)trans-119.9131171.6-167.10000110.6G248S243-G248 WeakPolarHBondContact OG-CA 3.21Å; S243-G248 PolarHBondContact OG-O 3.35Å
244I94.5Very high94.2Very high49 Ų4960.3 Ų60.325%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-93.1117.6-175.1-58.3172.7000108.7P147 V250P147-I244 HydrophobicContact CG-CD1 4.25Å; I244-V250 HydrophobicContact CB-CB 3.99Å; I244-V250 HydrophobicContact CB-CG1 3.97Å; I244-V250 HydrophobicContact CD1-CG1 4.34Å; I244-V250 PolarHBondContact N-O 2.95Å; I244-V250 WeakPolarHBondContact O-CB 3.42Å
245G93.8Very high94.4Very high47 Ų4756.3 Ų56.349%0.48535%0.353SS..SBendtrans88.4166.8178.300000114.2T247 G248G245-T247 VanDerWaalsContact C-N 3.3Å; G245-T247 PolarHBondContact O-N 3.41Å; G245-G248 PolarHBondContact O-N 3.37Å
246P93.2Very high94.6Very high139 Ų13952.9 Ų52.990%0.90332%0.324SS*.THydrogen-bonded Turntrans-71.9-20.9-167.328.7-36.4000114.1G248P246-G248 VanDerWaalsContact C-N 3.29Å; P246-G248 PolarHBondContact O-N 2.98Å
247T92.9Very high94.8Very high97 Ų9751.5 Ų51.560%0.59532%0.319SS*.THydrogen-bonded Turntrans-78.8-14.5-176.957.70000113.1G245 L249G245-T247 VanDerWaalsContact C-N 3.3Å; G245-T247 PolarHBondContact O-N 3.41Å; T247-L249 PolarHBondContact O-N 2.92Å; T247-L249 PolarHBondContact OG1-N 3.18Å
248G90.2Very high95.1Very high46 Ų4649.3 Ų49.347%0.47431%0.307SS..SBendtrans75.7-0.5-174.800000114.5S243 G245 P246S243-G248 WeakPolarHBondContact OG-CA 3.21Å; S243-G248 PolarHBondContact OG-O 3.35Å; G245-G248 PolarHBondContact O-N 3.37Å; P246-G248 VanDerWaalsContact C-N 3.29Å; P246-G248 PolarHBondContact O-N 2.98Å
249L92.3Very high95.1Very high137 Ų13748.9 Ų48.972%0.71731%0.305SS*.  trans-87.9-13.3-166-64.8177.1000115.1T247 P251T247-L249 PolarHBondContact O-N 2.92Å; T247-L249 PolarHBondContact OG1-N 3.18Å; L249-P251 WeakPolarHBondContact O-CD 3.24Å
250V95.4Very high95.1Very high69 Ų6949.1 Ų49.142%0.41831%0.306SS..EExtended strand (participates in β ladder)trans-10495.8179.4-176.30000108I244I244-V250 HydrophobicContact CB-CB 3.99Å; I244-V250 HydrophobicContact CB-CG1 3.97Å; I244-V250 HydrophobicContact CD1-CG1 4.34Å; I244-V250 PolarHBondContact N-O 2.95Å; I244-V250 WeakPolarHBondContact O-CB 3.42Å
251P96.1Very high95.1Very high65 Ų6547.4 Ų47.442%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-66.5141.3177.529.5-35.6000110.3E148 L249E148-P251 HydrophobicContact CB-CB 4.17Å; E148-P251 HydrophobicContact CB-CG 4.07Å; E148-P251 PolarHBondContact N-O 3.15Å; E148-P251 WeakPolarHBondContact OE2-CB 3.29Å; E148-P251 WeakPolarHBondContact OE2-CG 3.31Å; L249-P251 WeakPolarHBondContact O-CD 3.24Å
252G96.1Very high95.1Very high1 Ų142.7 Ų42.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-152.8179.117800000111.5T146 T242T146-G252 CarbonylContact O-C 3.37Å; T146-G252 WeakPolarHBondContact O-CA 3.18Å; T242-G252 PolarHBondContact N-O 3.14Å; T242-G252 CarbonylContact O-C 3.44Å; T242-G252 PolarHBondContact O-N 3.2Å
253Y97.1Very high95.2Very high30 Ų3040.1 Ų40.112%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-136156176.1-61.5-95000109.3T146 E148 L151 V157 M239 F240 P241T146-Y253 PolarHBondContact N-O 2.9Å; T146-Y253 PolarHBondContact O-N 3.28Å; E148-Y253 HydrophobicContact CB-CD2 4.4Å; E148-Y253 HydrophobicContact CB-CE2 3.94Å; E148-Y253 HydrophobicContact CG-CE2 3.93Å; L151-Y253 HydrophobicContact CD1-CD2 3.91Å; L151-Y253 HydrophobicContact CD1-CG 4.04Å; V157-Y253 HydrophobicContact CG2-CE2 4.28Å; M239-Y253 HydrophobicContact CB-CD1 3.47Å; M239-Y253 VanDerWaalsContact CB-CD1 3.47Å; M239-Y253 HydrophobicContact CB-CE1 4.08Å; M239-Y253 HydrophobicContact CB-CG 4.16Å; M239-Y253 HydrophobicContact CE-CD1 4.16Å; M239-Y253 HydrophobicContact CE-CE1 4.08Å; M239-Y253 HydrophobicContact CE-CG 4.41Å; M239-Y253 HydrophobicContact SD-CD1 4.46Å; M239-Y253 HydrophobicContact SD-CG 4.44Å; F240-Y253 CarbonylContact O-C 3.56Å; F240-Y253 VanDerWaalsContact O-CA 3.24Å; F240-Y253 WeakPolarHBondContact O-CA 3.3Å; P241-Y253 HydrophobicContact CB-CD1 4.14Å; P241-Y253 HydrophobicContact CB-CE1 3.92Å
254L97.7Very high95.2Very high46 Ų4641 Ų4124%0.24126%0.26CS..EExtended strand (participates in β ladder)trans-68.9130.6155.3-58.8178.8000107.8M144 L145 F240 F288M144-L254 WeakPolarHBondContact O-CA 3.48Å; L145-L254 HydrophobicContact CD2-CD2 3.86Å; F240-L254 HydrophobicContact CB-CB 4.15Å; F240-L254 HydrophobicContact CB-CD1 3.95Å; F240-L254 HydrophobicContact CB-CG 4.14Å; F240-L254 HydrophobicContact CG-CD1 4.4Å; F240-L254 PolarHBondContact O-N 2.92Å; L254-F288 HydrophobicContact CB-CB 3.81Å; L254-F288 HydrophobicContact CB-CD2 3.65Å; L254-F288 HydrophobicContact CB-CE2 4.33Å; L254-F288 HydrophobicContact CB-CG 3.74Å; L254-F288 HydrophobicContact CD1-CB 4.33Å; L254-F288 HydrophobicContact CD1-CD1 3.83Å; L254-F288 HydrophobicContact CD1-CD2 4.33Å; L254-F288 HydrophobicContact CD1-CE1 4.16Å; L254-F288 HydrophobicContact CD1-CG 3.91Å; L254-F288 HydrophobicContact CG-CD2 4.46Å; L254-F288 HydrophobicContact CG-CG 4.42Å
255R96.8Very high95.4Very high6 Ų641 Ų412%0.02326%0.26CS..  trans-57.9131.6-175.771.6-178.3-179.8-163.2-4.9111.6C142 M144 E257 T286 F288C142-R255 PolarHBondContact O-NH1 3.37Å; M144-R255 PolarHBondContact O-N 3.49Å; R255-E257 VanDerWaalsContact C-N 3.31Å; R255-E257 WeakPolarHBondContact CB-O 3.35Å; R255-E257 WeakPolarHBondContact CD-O 3.37Å; R255-E257 WeakPolarHBondContact CG-O 3.4Å; R255-T286 PolarHBondContact NE-O 2.74Å; R255-T286 PolarHBondContact NH2-O 3.02Å; R255-F288 PolarHBondContact O-N 3.2Å
256P96Very high95.6Very high0 Ų038.8 Ų38.80%024%0.238CC..SBendtrans-79.4-15.8177.430.5-34.3000114.6F160 M239 F288 R289F160-P256 HydrophobicContact CD1-CB 3.99Å; F160-P256 HydrophobicContact CD1-CG 4.5Å; F160-P256 HydrophobicContact CE1-CB 3.37Å; F160-P256 HydrophobicContact CE1-CG 4.26Å; F160-P256 HydrophobicContact CE2-CB 4.13Å; F160-P256 HydrophobicContact CE2-CG 4.45Å; F160-P256 HydrophobicContact CZ-CB 3.45Å; F160-P256 VanDerWaalsContact CZ-CB 3.45Å; F160-P256 HydrophobicContact CZ-CG 4.24Å; M239-P256 HydrophobicContact CG-CB 4.23Å; M239-P256 HydrophobicContact CG-CG 4.15Å; M239-P256 HydrophobicContact SD-CG 3.97Å; P256-F288 VanDerWaalsContact CA-O 3.32Å; P256-F288 WeakPolarHBondContact CA-O 3.34Å; P256-R289 PolarHBondContact O-NE 3.4Å
257E94.9Very high95.7Very high29 Ų2938 Ų3814%0.13622%0.22CC..  trans-149.9169.9-178.863.3-179.1-153.500108.9H156 R255 Q260H156-E257 IonicContact CE1-OE1 3.76Å; H156-E257 PolarHBondContact CE1-OE1 3.43Å; H156-E257 VanDerWaalsContact CE1-OE1 3.25Å; H156-E257 VanDerWaalsContact NE2-CD 3.3Å; H156-E257 IonicContact NE2-OE1 3.81Å; H156-E257 PolarHBondContact NE2-OE1 2.92Å; H156-E257 IonicContact NE2-OE2 2.86Å; H156-E257 PolarHBondContact NE2-OE2 3.21Å; R255-E257 VanDerWaalsContact C-N 3.31Å; R255-E257 WeakPolarHBondContact CB-O 3.35Å; R255-E257 WeakPolarHBondContact CD-O 3.37Å; R255-E257 WeakPolarHBondContact CG-O 3.4Å; E257-Q260 HydrophobicContact CG-CG 4.26Å; E257-Q260 WeakPolarHBondContact OE1-CG 3.39Å; E257-Q260 PolarHBondContact OE1-NE2 3.03Å
258T96.1Very high95.9Very high0 Ų042.2 Ų42.20%023%0.225CC..SBendtrans-98-27.6-179.4840000111.8Q260 G261 Q283 M306 E308T258-Q260 VanDerWaalsContact C-N 3.34Å; T258-Q260 PolarHBondContact O-N 2.83Å; T258-Q260 VanDerWaalsContact O-N 3.16Å; T258-G261 PolarHBondContact O-N 3.2Å; T258-G261 VanDerWaalsContact O-N 3.14Å; T258-Q283 VanDerWaalsContact C-NE2 3.34Å; T258-Q283 PolarHBondContact O-NE2 3.09Å; T258-M306 HydrophobicContact CG2-CB 3.94Å; T258-M306 HydrophobicContact CG2-SD 4.33Å; T258-E308 WeakPolarHBondContact CA-OE2 3.45Å; T258-E308 VanDerWaalsContact CB-OE2 3.22Å; T258-E308 WeakPolarHBondContact CB-OE2 3.45Å; T258-E308 PolarHBondContact N-OE2 3.22Å; T258-E308 WeakPolarHBondContact OG1-CG 3.05Å; T258-E308 PolarHBondContact OG1-OE2 3.03Å
259A94.7Very high96.3Very high2 Ų240.6 Ų40.62%0.01721%0.206CC..Hα-helixtrans-48.8-42-175.900000115.4G261 I262 F263 E308 E310A259-G261 PolarHBondContact O-N 2.64Å; A259-I262 WeakPolarHBondContact O-CA 3.44Å; A259-I262 VanDerWaalsContact O-CB 3.31Å; A259-I262 WeakPolarHBondContact O-CB 3.44Å; A259-I262 PolarHBondContact O-N 3.4Å; A259-F263 HydrophobicContact CB-CD2 4.39Å; A259-F263 HydrophobicContact CB-CE2 3.86Å; A259-F263 WeakPolarHBondContact O-CD2 3.46Å; A259-F263 PolarHBondContact O-N 3.18Å; A259-E308 PolarHBondContact N-OE2 3.4Å; A259-E310 VanDerWaalsContact CB-OE1 3.23Å; A259-E310 WeakPolarHBondContact CB-OE1 3.14Å
260Q95.2Very high96.5Very high8 Ų835 Ų354%0.03718%0.176CC..Hα-helixtrans-53.9-34.5-179.3-66.6-57.2-54.300114.1L151 S154 H156 E257 T258 I262 F263 V264 D426 H430L151-Q260 HydrophobicContact CD2-CG 4.12Å; S154-Q260 PolarHBondContact OG-OE1 3.22Å; S154-Q260 VanDerWaalsContact OG-OE1 3.06Å; H156-Q260 PolarHBondContact CE1-NE2 3.05Å; E257-Q260 HydrophobicContact CG-CG 4.26Å; E257-Q260 WeakPolarHBondContact OE1-CG 3.39Å; E257-Q260 PolarHBondContact OE1-NE2 3.03Å; T258-Q260 VanDerWaalsContact C-N 3.34Å; T258-Q260 PolarHBondContact O-N 2.83Å; T258-Q260 VanDerWaalsContact O-N 3.16Å; Q260-I262 VanDerWaalsContact C-N 3.26Å; Q260-I262 PolarHBondContact O-N 3.45Å; Q260-F263 PolarHBondContact O-N 3.41Å; Q260-V264 VanDerWaalsContact O-CG2 3.31Å; Q260-V264 WeakPolarHBondContact O-CG2 3.33Å; Q260-V264 PolarHBondContact O-N 3.28Å; Q260-V264 VanDerWaalsContact O-N 3.08Å; Q260-D426 PolarHBondContact NE2-OD1 2.89Å; Q260-H430 PolarHBondContact OE1-NE2 3.2Å
261G95.8Very high96.6Very high17 Ų1738.8 Ų38.818%0.17519%0.189CC..Hα-helixtrans-62.8-34.617600000112.9C142 T258 A259 N265C142-G261 VanDerWaalsContact SG-C 3.52Å; C142-G261 VanDerWaalsContact SG-CA 3.56Å; C142-G261 PolarHBondContact SG-O 3.4Å; T258-G261 PolarHBondContact O-N 3.2Å; T258-G261 VanDerWaalsContact O-N 3.14Å; A259-G261 PolarHBondContact O-N 2.64Å; G261-N265 WeakPolarHBondContact O-CB 3.37Å; G261-N265 PolarHBondContact O-N 2.66Å; G261-N265 PolarHBondContact O-ND2 3.42Å
262I97.5Very high96.6Very high0 Ų043.1 Ų43.10%020%0.202CC..Hα-helixtrans-72.1-48.3177.7-62.3169.7000110.1V140 A259 Q260 V264 N265 F266 L269 A281 Q283 E310 F312V140-I262 HydrophobicContact CG2-CG1 3.79Å; A259-I262 WeakPolarHBondContact O-CA 3.44Å; A259-I262 VanDerWaalsContact O-CB 3.31Å; A259-I262 WeakPolarHBondContact O-CB 3.44Å; A259-I262 PolarHBondContact O-N 3.4Å; Q260-I262 VanDerWaalsContact C-N 3.26Å; Q260-I262 PolarHBondContact O-N 3.45Å; I262-V264 PolarHBondContact O-N 2.79Å; I262-N265 CarbonylContact O-C 3.16Å; I262-N265 WeakPolarHBondContact O-CA 3.13Å; I262-N265 PolarHBondContact O-N 3.5Å; I262-F266 PolarHBondContact O-N 3.18Å; I262-L269 HydrophobicContact CG2-CD1 3.82Å; I262-A281 HydrophobicContact CG2-CB 3.62Å; I262-Q283 HydrophobicContact CD1-CB 3.86Å; I262-Q283 HydrophobicContact CG1-CB 4.28Å; I262-E310 HydrophobicContact CB-CG 3.92Å; I262-E310 HydrophobicContact CD1-CB 4.35Å; I262-E310 HydrophobicContact CD1-CG 3.53Å; I262-E310 HydrophobicContact CG1-CG 4.32Å; I262-E310 HydrophobicContact CG2-CB 3.78Å; I262-E310 HydrophobicContact CG2-CG 3.66Å; I262-F312 HydrophobicContact CG2-CE2 4.03Å; I262-F312 HydrophobicContact CG2-CZ 4.18Å
263F96.9Very high96.6Very high1 Ų145.3 Ų45.30%0.00421%0.213CC..Hα-helixtrans-59.1-43.8179-65.4-57.8000112.7A259 Q260 N265 F266 E310 F312 C424 D426 L427 V532 E534A259-F263 HydrophobicContact CB-CD2 4.39Å; A259-F263 HydrophobicContact CB-CE2 3.86Å; A259-F263 WeakPolarHBondContact O-CD2 3.46Å; A259-F263 PolarHBondContact O-N 3.18Å; Q260-F263 PolarHBondContact O-N 3.41Å; F263-N265 PolarHBondContact O-N 2.89Å; F263-F266 WeakPolarHBondContact O-CB 3.38Å; F263-F266 PolarHBondContact O-N 2.81Å; F263-F266 VanDerWaalsContact O-N 3.12Å; F263-E310 HydrophobicContact CZ-CG 4.43Å; F263-E310 VanDerWaalsContact CZ-OE2 3.23Å; F263-E310 WeakPolarHBondContact CZ-OE2 3.2Å; F263-F312 HydrophobicContact CD1-CE1 4.05Å; F263-F312 AromaticContact CD1-CZ 3.98Å; F263-F312 HydrophobicContact CD1-CZ 3.98Å; F263-F312 AromaticContact CE1-CE1 3.91Å; F263-F312 HydrophobicContact CE1-CE1 3.91Å; F263-F312 AromaticContact CE1-CZ 3.99Å; F263-F312 HydrophobicContact CE1-CZ 3.99Å; F263-C424 VanDerWaalsContact CE1-SG 3.55Å; F263-D426 HydrophobicContact CB-CB 4.17Å; F263-D426 HydrophobicContact CD1-CB 4.09Å; F263-D426 HydrophobicContact CD2-CB 3.71Å; F263-D426 HydrophobicContact CE1-CB 4.45Å; F263-D426 HydrophobicContact CE2-CB 4.09Å; F263-D426 HydrophobicContact CG-CB 3.72Å; F263-D426 HydrophobicContact CZ-CB 4.46Å; F263-L427 HydrophobicContact CB-CD2 4.24Å; F263-L427 HydrophobicContact CD1-CD2 4.06Å; F263-L427 HydrophobicContact CD1-CG 4.29Å; F263-V532 HydrophobicContact CE1-CG1 4.45Å; F263-V532 HydrophobicContact CE1-CG2 4.48Å; F263-E534 WeakPolarHBondContact CZ-OE1 3.44Å
264V96.5Very high96.5Very high73 Ų7350.8 Ų50.844%0.44224%0.24SC..Hα-helixtrans-63.8-31.3176.7173.80000111.7V150 Q260 I262V150-V264 HydrophobicContact CG1-CG2 3.82Å; Q260-V264 VanDerWaalsContact O-CG2 3.31Å; Q260-V264 WeakPolarHBondContact O-CG2 3.33Å; Q260-V264 PolarHBondContact O-N 3.28Å; Q260-V264 VanDerWaalsContact O-N 3.08Å; I262-V264 PolarHBondContact O-N 2.79Å
265N97.4Very high96.3Very high47 Ų4750.3 Ų50.325%0.25125%0.246SC..THydrogen-bonded Turntrans-90.83.9176.7-76.5-68000114.3G261 I262 F263 K267 R268 L269G261-N265 WeakPolarHBondContact O-CB 3.37Å; G261-N265 PolarHBondContact O-N 2.66Å; G261-N265 PolarHBondContact O-ND2 3.42Å; I262-N265 CarbonylContact O-C 3.16Å; I262-N265 WeakPolarHBondContact O-CA 3.13Å; I262-N265 PolarHBondContact O-N 3.5Å; F263-N265 PolarHBondContact O-N 2.89Å; N265-K267 VanDerWaalsContact C-N 3.29Å; N265-K267 PolarHBondContact O-N 2.82Å; N265-K267 VanDerWaalsContact O-N 3.12Å; N265-R268 PolarHBondContact O-N 3.41Å; N265-L269 HydrophobicContact CB-CD1 4.16Å; N265-L269 HydrophobicContact CB-CG 4.43Å; N265-L269 PolarHBondContact O-N 2.95Å
266F97.8Very high96.1Very high1 Ų155.8 Ų55.80%0.00427%0.27CS..Hα-helixtrans-48.2-47.6-174.3170.9-99.1000113I262 F263 R268 L269 L270 F279 F312 L427 L438 P530I262-F266 PolarHBondContact O-N 3.18Å; F263-F266 WeakPolarHBondContact O-CB 3.38Å; F263-F266 PolarHBondContact O-N 2.81Å; F263-F266 VanDerWaalsContact O-N 3.12Å; F266-R268 VanDerWaalsContact C-N 3.32Å; F266-R268 PolarHBondContact O-N 3.42Å; F266-L269 PolarHBondContact O-N 3.03Å; F266-L270 HydrophobicContact CE1-CB 4.5Å; F266-L270 HydrophobicContact CE1-CD2 3.93Å; F266-L270 HydrophobicContact CZ-CB 4.37Å; F266-L270 HydrophobicContact CZ-CD2 3.93Å; F266-L270 WeakPolarHBondContact O-CB 3.47Å; F266-L270 PolarHBondContact O-N 2.7Å; F266-F279 AromaticContact CD2-CZ 3.99Å; F266-F279 HydrophobicContact CD2-CZ 3.99Å; F266-F279 AromaticContact CE2-CE1 3.9Å; F266-F279 HydrophobicContact CE2-CE1 3.9Å; F266-F279 AromaticContact CE2-CZ 3.81Å; F266-F279 HydrophobicContact CE2-CZ 3.81Å; F266-F312 AromaticContact CD2-CD1 3.87Å; F266-F312 HydrophobicContact CD2-CD1 3.87Å; F266-F312 HydrophobicContact CD2-CD2 4.15Å; F266-F312 AromaticContact CD2-CE1 3.69Å; F266-F312 HydrophobicContact CD2-CE1 3.69Å; F266-F312 AromaticContact CD2-CE2 3.98Å; F266-F312 HydrophobicContact CD2-CE2 3.98Å; F266-F312 HydrophobicContact CD2-CG 4.1Å; F266-F312 AromaticContact CD2-CZ 3.75Å; F266-F312 HydrophobicContact CD2-CZ 3.75Å; F266-F312 HydrophobicContact CE2-CB 4.33Å; F266-F312 AromaticContact CE2-CD1 3.7Å; F266-F312 HydrophobicContact CE2-CD1 3.7Å; F266-F312 HydrophobicContact CE2-CD2 4.21Å; F266-F312 HydrophobicContact CE2-CE1 4.02Å; F266-F312 HydrophobicContact CE2-CE2 4.49Å; F266-F312 AromaticContact CE2-CG 3.8Å; F266-F312 HydrophobicContact CE2-CG 3.8Å; F266-F312 HydrophobicContact CE2-CZ 4.4Å; F266-L427 HydrophobicContact CB-CD2 3.51Å; F266-L427 HydrophobicContact CD1-CD1 4.19Å; F266-L427 HydrophobicContact CD1-CD2 4.07Å; F266-L427 HydrophobicContact CD2-CD1 3.96Å; F266-L427 HydrophobicContact CD2-CD2 4.18Å; F266-L427 HydrophobicContact CE1-CD1 4.29Å; F266-L427 HydrophobicContact CE2-CD1 4.07Å; F266-L427 HydrophobicContact CG-CD1 4.03Å; F266-L427 HydrophobicContact CG-CD2 3.65Å; F266-L427 HydrophobicContact CZ-CD1 4.24Å; F266-L438 HydrophobicContact CD1-CB 4.03Å; F266-L438 HydrophobicContact CD1-CD2 4.43Å; F266-P530 HydrophobicContact CE2-CG 3.84Å; F266-P530 HydrophobicContact CZ-CG 3.72Å
267K96.4Very high96Very high124 Ų12458 Ų5854%0.53928%0.282SS..Hα-helixtrans-60.3-39.4-179.4-176.3173.9-179.4174.10113N265 Q271 V436 L438N265-K267 VanDerWaalsContact C-N 3.29Å; N265-K267 PolarHBondContact O-N 2.82Å; N265-K267 VanDerWaalsContact O-N 3.12Å; K267-Q271 VanDerWaalsContact O-CB 3.32Å; K267-Q271 WeakPolarHBondContact O-CB 3.38Å; K267-Q271 PolarHBondContact O-N 2.99Å; K267-V436 HydrophobicContact CD-CG1 4.48Å; K267-L438 HydrophobicContact CB-CD2 4.12Å
268R97.4Very high96.1Very high185 Ų18559.4 Ų59.470%0.69829%0.293SS*.Hα-helixtrans-71.3-39.7178-69-177.5176.3-168.1-0.7111.1N265 F266 Q271 F272N265-R268 PolarHBondContact O-N 3.41Å; F266-R268 VanDerWaalsContact C-N 3.32Å; F266-R268 PolarHBondContact O-N 3.42Å; R268-Q271 PolarHBondContact O-N 2.95Å; R268-F272 WeakPolarHBondContact O-CB 3.49Å; R268-F272 PolarHBondContact O-N 2.86Å
269L98.1Very high96.1Very high12 Ų1259.9 Ų59.96%0.06330%0.295CS..Hα-helixtrans-65.5-46177.2-67.7164.4000111.3L138 V140 I262 N265 F266 Q271 F272 N273 F279 A281L138-L269 HydrophobicContact CB-CD2 3.81Å; L138-L269 HydrophobicContact CD1-CB 4.21Å; L138-L269 HydrophobicContact CD1-CD2 3.97Å; L138-L269 WeakPolarHBondContact CD1-O 3.44Å; V140-L269 HydrophobicContact CG1-CD2 3.75Å; I262-L269 HydrophobicContact CG2-CD1 3.82Å; N265-L269 HydrophobicContact CB-CD1 4.16Å; N265-L269 HydrophobicContact CB-CG 4.43Å; N265-L269 PolarHBondContact O-N 2.95Å; F266-L269 PolarHBondContact O-N 3.03Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.41Å; L269-F272 WeakPolarHBondContact O-CB 3.32Å; L269-F272 PolarHBondContact O-N 3.23Å; L269-N273 PolarHBondContact O-N 3.45Å; L269-F279 HydrophobicContact CB-CE2 3.78Å; L269-F279 HydrophobicContact CB-CZ 4.14Å; L269-A281 HydrophobicContact CD1-CB 3.78Å; L269-A281 HydrophobicContact CD2-CB 4.31Å
270L97.2Very high96.2Very high18 Ų1860.2 Ų60.29%0.09430%0.298CS..Hα-helixtrans-60-43.5173.8-179.763.9000111.1F266 N273 Q274 G275 F279 A440F266-L270 HydrophobicContact CE1-CB 4.5Å; F266-L270 HydrophobicContact CE1-CD2 3.93Å; F266-L270 HydrophobicContact CZ-CB 4.37Å; F266-L270 HydrophobicContact CZ-CD2 3.93Å; F266-L270 WeakPolarHBondContact O-CB 3.47Å; F266-L270 PolarHBondContact O-N 2.7Å; L270-N273 CarbonylContact O-C 3.46Å; L270-N273 VanDerWaalsContact O-C 3.29Å; L270-N273 PolarHBondContact O-N 3.38Å; L270-Q274 PolarHBondContact O-N 2.97Å; L270-G275 PolarHBondContact O-N 2.8Å; L270-F279 HydrophobicContact CB-CE1 4.12Å; L270-F279 HydrophobicContact CB-CZ 4.29Å; L270-F279 HydrophobicContact CD1-CD1 4.18Å; L270-F279 HydrophobicContact CD1-CE1 3.77Å; L270-A440 HydrophobicContact CD2-CB 4.34Å
271Q96.6Very high96.4Very high149 Ų14959.8 Ų59.870%0.69630%0.296SS*.Hα-helixtrans-62.5-42.7175.4-177-178.96.500112K267 R268 L269 N273 Q274K267-Q271 VanDerWaalsContact O-CB 3.32Å; K267-Q271 WeakPolarHBondContact O-CB 3.38Å; K267-Q271 PolarHBondContact O-N 2.99Å; R268-Q271 PolarHBondContact O-N 2.95Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.41Å; Q271-N273 VanDerWaalsContact C-N 3.25Å; Q271-N273 PolarHBondContact O-N 3.28Å; Q271-Q274 WeakPolarHBondContact O-CA 3.26Å; Q271-Q274 PolarHBondContact O-N 3.28Å
272F96.5Very high96.5Very high157 Ų15759 Ų5969%0.68929%0.288SS*.Hα-helixtrans-61.1-38175.3-171-87.8000111.1L138 R268 L269 Q274L138-F272 HydrophobicContact CD1-CB 4.39Å; L138-F272 HydrophobicContact CD1-CD1 3.88Å; L138-F272 HydrophobicContact CD2-CD1 3.49Å; L138-F272 VanDerWaalsContact CD2-CD1 3.49Å; L138-F272 HydrophobicContact CD2-CE1 3.58Å; L138-F272 HydrophobicContact CG-CD1 4.32Å; R268-F272 WeakPolarHBondContact O-CB 3.49Å; R268-F272 PolarHBondContact O-N 2.86Å; L269-F272 WeakPolarHBondContact O-CB 3.32Å; L269-F272 PolarHBondContact O-N 3.23Å; F272-Q274 PolarHBondContact O-N 2.98Å
273N96.2Very high96.5Very high47 Ų4759 Ų5925%0.25129%0.288SS..THydrogen-bonded Turntrans-80.618.7171.3-156.255.1000114.1L138 L269 L270 Q271 G275 K276 F279L138-N273 HydrophobicContact CD1-CB 4.32Å; L269-N273 PolarHBondContact O-N 3.45Å; L270-N273 CarbonylContact O-C 3.46Å; L270-N273 VanDerWaalsContact O-C 3.29Å; L270-N273 PolarHBondContact O-N 3.38Å; Q271-N273 VanDerWaalsContact C-N 3.25Å; Q271-N273 PolarHBondContact O-N 3.28Å; N273-G275 PolarHBondContact O-N 2.95Å; N273-G275 VanDerWaalsContact O-N 3.13Å; N273-K276 PolarHBondContact ND2-O 3.43Å; N273-K276 WeakPolarHBondContact O-CB 3.48Å; N273-K276 PolarHBondContact O-N 2.91Å; N273-F279 HydrophobicContact CB-CB 4.21Å; N273-F279 HydrophobicContact CB-CG 4.22Å; N273-F279 VanDerWaalsContact ND2-CB 3.27Å; N273-F279 WeakPolarHBondContact ND2-CB 3.39Å
274Q94.7Very high96.6Very high145 Ų14559.9 Ų59.968%0.67829%0.292SS*.THydrogen-bonded Turntrans5730.1176-52.9171.50.900114.2L270 Q271 F272 K276L270-Q274 PolarHBondContact O-N 2.97Å; Q271-Q274 WeakPolarHBondContact O-CA 3.26Å; Q271-Q274 PolarHBondContact O-N 3.28Å; F272-Q274 PolarHBondContact O-N 2.98Å; Q274-K276 VanDerWaalsContact C-N 3.26Å; Q274-K276 PolarHBondContact O-N 3.46Å
275G93.5Very high96.7Very high36 Ų3656.8 Ų56.837%0.37128%0.275SS..THydrogen-bonded Turntrans75.67.2-179.100000115L270 N273L270-G275 PolarHBondContact O-N 2.8Å; N273-G275 PolarHBondContact O-N 2.95Å; N273-G275 VanDerWaalsContact O-N 3.13Å
276K93.4Very high96.7Very high121 Ų12155.7 Ų55.753%0.52627%0.27SS..  trans-90.2146.1-173.4-63.9171.1-177.8160.90112N273 Q274N273-K276 PolarHBondContact ND2-O 3.43Å; N273-K276 WeakPolarHBondContact O-CB 3.48Å; N273-K276 PolarHBondContact O-N 2.91Å; Q274-K276 VanDerWaalsContact C-N 3.26Å; Q274-K276 PolarHBondContact O-N 3.46Å
277L93.8Very high96.7Very high47 Ų4755.7 Ų55.725%0.24627%0.27CS..SBendtrans-122.6153.8168.6-75.8169.3000110F279 F312 A440 F528 P530L277-F279 HydrophobicContact CD2-CD1 3.61Å; L277-F279 HydrophobicContact CD2-CE1 3.86Å; L277-F312 HydrophobicContact CD2-CB 3.7Å; L277-F312 VanDerWaalsContact CD2-O 3.26Å; L277-F312 WeakPolarHBondContact CD2-O 3.5Å; L277-A440 HydrophobicContact CD1-CB 3.38Å; L277-A440 HydrophobicContact CG-CB 4.34Å; L277-F528 HydrophobicContact CD1-CE2 3.84Å; L277-F528 HydrophobicContact CD1-CZ 3.55Å; L277-P530 HydrophobicContact CD1-CB 4.33Å
278P95.7Very high96.7Very high58 Ų5851 Ų5138%0.37725%0.25SC..SBendcis-72159.9-732.8-36000111.9H311 F312 V313P278-H311 WeakPolarHBondContact CB-NE2 3.44Å; P278-F312 WeakPolarHBondContact CA-O 3.34Å; P278-F312 WeakPolarHBondContact CB-O 3.14Å; P278-V313 HydrophobicContact CB-CG1 4.03Å
279F96.8Very high96.6Very high10 Ų1046 Ų464%0.04423%0.231CC..EExtended strand (participates in β ladder)trans-148.415216779.9-90.7000110L138 F266 L269 L270 N273 L277 F312L138-F279 HydrophobicContact CD1-CD2 4.11Å; L138-F279 HydrophobicContact CD1-CE2 4.45Å; F266-F279 AromaticContact CD2-CZ 3.99Å; F266-F279 HydrophobicContact CD2-CZ 3.99Å; F266-F279 AromaticContact CE2-CE1 3.9Å; F266-F279 HydrophobicContact CE2-CE1 3.9Å; F266-F279 AromaticContact CE2-CZ 3.81Å; F266-F279 HydrophobicContact CE2-CZ 3.81Å; L269-F279 HydrophobicContact CB-CE2 3.78Å; L269-F279 HydrophobicContact CB-CZ 4.14Å; L270-F279 HydrophobicContact CB-CE1 4.12Å; L270-F279 HydrophobicContact CB-CZ 4.29Å; L270-F279 HydrophobicContact CD1-CD1 4.18Å; L270-F279 HydrophobicContact CD1-CE1 3.77Å; N273-F279 HydrophobicContact CB-CB 4.21Å; N273-F279 HydrophobicContact CB-CG 4.22Å; N273-F279 VanDerWaalsContact ND2-CB 3.27Å; N273-F279 WeakPolarHBondContact ND2-CB 3.39Å; L277-F279 HydrophobicContact CD2-CD1 3.61Å; L277-F279 HydrophobicContact CD2-CE1 3.86Å; F279-F312 HydrophobicContact CD1-CB 4.26Å; F279-F312 HydrophobicContact CD2-CD2 4.28Å; F279-F312 HydrophobicContact CE1-CB 3.93Å; F279-F312 AromaticContact CE1-CD2 3.99Å; F279-F312 HydrophobicContact CE1-CD2 3.99Å; F279-F312 HydrophobicContact CE1-CG 4.19Å; F279-F312 AromaticContact CE2-CD2 3.57Å; F279-F312 HydrophobicContact CE2-CD2 3.57Å; F279-F312 HydrophobicContact CE2-CE2 4.08Å; F279-F312 HydrophobicContact CZ-CB 4.23Å; F279-F312 AromaticContact CZ-CD2 3.39Å; F279-F312 HydrophobicContact CZ-CD2 3.39Å; F279-F312 HydrophobicContact CZ-CE2 4.02Å; F279-F312 HydrophobicContact CZ-CG 4Å; F279-F312 PolarHBondContact N-O 3.47Å; F279-F312 VanDerWaalsContact N-O 3.11Å; F279-F312 PolarHBondContact O-N 3.25Å
280A97.8Very high96.4Very high8 Ų847.1 Ų47.17%0.06624%0.237CC..EExtended strand (participates in β ladder)trans-114.1138.3176.200000110.8M137 L138 V309 E310 H311M137-A280 WeakPolarHBondContact CA-O 3.14Å; M137-A280 HydrophobicContact CB-CB 4.22Å; M137-A280 HydrophobicContact CE-CB 4.38Å; M137-A280 HydrophobicContact CG-CB 3.78Å; M137-A280 HydrophobicContact SD-CB 4.27Å; L138-A280 PolarHBondContact N-O 3.41Å; A280-V309 HydrophobicContact CB-CG1 4.28Å; A280-E310 WeakPolarHBondContact CA-O 3.38Å; A280-H311 HydrophobicContact CB-CB 4.16Å
281A98.3Very high96.2Very high0 Ų046.9 Ų46.90%024%0.236CC..EExtended strand (participates in β ladder)trans-110.5152.1163.500000109.1L138 I262 L269 V309 E310L138-A281 HydrophobicContact CB-CB 4.43Å; L138-A281 VanDerWaalsContact O-CA 3.27Å; L138-A281 WeakPolarHBondContact O-CA 3.43Å; I262-A281 HydrophobicContact CG2-CB 3.62Å; L269-A281 HydrophobicContact CD1-CB 3.78Å; L269-A281 HydrophobicContact CD2-CB 4.31Å; A281-V309 WeakPolarHBondContact O-CA 3.31Å; A281-E310 PolarHBondContact N-O 3.35Å; A281-E310 PolarHBondContact O-N 3.29Å
282A98.3Very high95.8Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-137.5149.3-17900000110.6W127 I132 M137 L138 E139 V140 E308 V309W127-A282 HydrophobicContact CH2-CB 4.04Å; W127-A282 HydrophobicContact CZ3-CB 4.35Å; I132-A282 HydrophobicContact CD1-CB 3.92Å; I132-A282 HydrophobicContact CG1-CB 3.7Å; M137-A282 HydrophobicContact CB-CB 4.17Å; M137-A282 HydrophobicContact SD-CB 3.98Å; L138-A282 PolarHBondContact O-N 3.29Å; E139-A282 CarbonylContact C-O 3.59Å; E139-A282 VanDerWaalsContact CA-O 3.31Å; E139-A282 WeakPolarHBondContact CA-O 3.5Å; V140-A282 PolarHBondContact N-O 3.35Å; A282-E308 CarbonylContact C-O 3.45Å; A282-E308 VanDerWaalsContact CA-O 3.28Å; A282-E308 WeakPolarHBondContact CA-O 3.39Å; A282-V309 HydrophobicContact CB-CG2 4.32Å
283Q98.3Very high95.2Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-143.2134174.1-177.4161.3-99.100110.7V140 C142 T258 I262 A307 E308V140-Q283 HydrophobicContact CG2-CB 4.25Å; V140-Q283 VanDerWaalsContact O-CG 3.29Å; V140-Q283 WeakPolarHBondContact O-CG 3.24Å; V140-Q283 PolarHBondContact O-OE1 3Å; C142-Q283 PolarHBondContact SG-OE1 3.28Å; T258-Q283 VanDerWaalsContact C-NE2 3.34Å; T258-Q283 PolarHBondContact O-NE2 3.09Å; I262-Q283 HydrophobicContact CD1-CB 3.86Å; I262-Q283 HydrophobicContact CG1-CB 4.28Å; Q283-A307 CarbonylContact O-C 3.29Å; Q283-A307 WeakPolarHBondContact O-CA 3.45Å; Q283-E308 PolarHBondContact N-O 3.42Å; Q283-E308 PolarHBondContact O-N 3.06Å
284I98.4Very high94.8Very high19 Ų1932 Ų3210%0.09717%0.169CC..EExtended strand (participates in β ladder)trans-112.6124.7170.1-62.7150.6000107I124 W127 R128 I132 T305 M306 A307I124-I284 HydrophobicContact CD1-CG2 4.33Å; I124-I284 HydrophobicContact CG2-CD1 3.88Å; I124-I284 HydrophobicContact CG2-CG2 4.1Å; W127-I284 HydrophobicContact CE3-CD1 3.74Å; W127-I284 HydrophobicContact CE3-CG1 3.98Å; W127-I284 HydrophobicContact CH2-CG1 4.5Å; W127-I284 HydrophobicContact CZ3-CD1 3.79Å; W127-I284 HydrophobicContact CZ3-CG1 3.78Å; R128-I284 HydrophobicContact CG-CD1 3.63Å; I132-I284 HydrophobicContact CD1-CD1 4.34Å; I284-T305 HydrophobicContact CG2-CG2 4.2Å; I284-M306 WeakPolarHBondContact CA-O 3.3Å; I284-A307 HydrophobicContact CG1-CB 3.8Å
285G97.7Very high94.3Very high9 Ų930.6 Ų30.69%0.09316%0.158CC..EExtended strand (participates in β ladder)trans-174177.4-179.100000113.8T305 M306G285-T305 WeakPolarHBondContact O-CA 3.37Å; G285-M306 PolarHBondContact N-O 2.95Å; G285-M306 PolarHBondContact O-N 3.39Å
286T97.8Very high94Very high24 Ų2433.3 Ų33.315%0.14716%0.161CC..EExtended strand (participates in β ladder)trans-85.9134.4178.9-54.70000111.1R255 F288 E303 F304R255-T286 PolarHBondContact NE-O 2.74Å; R255-T286 PolarHBondContact NH2-O 3.02Å; T286-F288 HydrophobicContact CG2-CD2 4.43Å; T286-F288 HydrophobicContact CG2-CE1 3.94Å; T286-F288 HydrophobicContact CG2-CE2 3.84Å; T286-F288 HydrophobicContact CG2-CZ 3.57Å; T286-E303 HydrophobicContact CG2-CG 3.44Å; T286-E303 VanDerWaalsContact CG2-CG 3.44Å; T286-F304 CarbonylContact C-O 3.56Å; T286-F304 VanDerWaalsContact CA-O 3.3Å; T286-F304 WeakPolarHBondContact CA-O 3.18Å
287G97Very high93.7Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-112.4153.1166.900000110.6F304G287-F304 PolarHBondContact N-O 2.9Å; G287-F304 PolarHBondContact O-N 3.32Å; G287-F304 VanDerWaalsContact O-N 3.1Å
288F97.5Very high93.7Very high25 Ų2526.2 Ų26.211%0.1113%0.132CC..EExtended strand (participates in β ladder)trans-128.2121.5-174-56.8-95.1000110.9M144 F240 L254 R255 P256 T286 R302 E303M144-F288 HydrophobicContact CB-CE2 4.17Å; M144-F288 HydrophobicContact CG-CE2 4.27Å; M144-F288 HydrophobicContact SD-CE2 3.86Å; M144-F288 HydrophobicContact SD-CZ 4.06Å; F240-F288 HydrophobicContact CD2-CB 3.76Å; F240-F288 HydrophobicContact CE2-CB 4.19Å; L254-F288 HydrophobicContact CB-CB 3.81Å; L254-F288 HydrophobicContact CB-CD2 3.65Å; L254-F288 HydrophobicContact CB-CE2 4.33Å; L254-F288 HydrophobicContact CB-CG 3.74Å; L254-F288 HydrophobicContact CD1-CB 4.33Å; L254-F288 HydrophobicContact CD1-CD1 3.83Å; L254-F288 HydrophobicContact CD1-CD2 4.33Å; L254-F288 HydrophobicContact CD1-CE1 4.16Å; L254-F288 HydrophobicContact CD1-CG 3.91Å; L254-F288 HydrophobicContact CG-CD2 4.46Å; L254-F288 HydrophobicContact CG-CG 4.42Å; R255-F288 PolarHBondContact O-N 3.2Å; P256-F288 VanDerWaalsContact CA-O 3.32Å; P256-F288 WeakPolarHBondContact CA-O 3.34Å; T286-F288 HydrophobicContact CG2-CD2 4.43Å; T286-F288 HydrophobicContact CG2-CE1 3.94Å; T286-F288 HydrophobicContact CG2-CE2 3.84Å; T286-F288 HydrophobicContact CG2-CZ 3.57Å; F288-R302 CarbonylContact C-O 3.59Å; F288-R302 VanDerWaalsContact CA-O 3.3Å; F288-R302 WeakPolarHBondContact CA-O 3.35Å; F288-E303 HydrophobicContact CD1-CB 4.25Å; F288-E303 HydrophobicContact CD1-CG 4.08Å; F288-E303 HydrophobicContact CE1-CB 4.35Å; F288-E303 HydrophobicContact CE1-CG 3.73Å
289R94.5Very high93.6Very high80 Ų8024 Ų2430%0.30212%0.117SC..  trans-126.2121174.7-62.4-173.8-176.1-172.50.2108.6F160 L238 F240 P256 E291 R302 F304F160-R289 HydrophobicContact CE1-CG 4.03Å; F160-R289 HydrophobicContact CZ-CG 4.23Å; L238-R289 CarbonylContact O-C 3.53Å; L238-R289 WeakPolarHBondContact O-CA 3.28Å; F240-R289 VanDerWaalsContact CE2-C 3.42Å; P256-R289 PolarHBondContact O-NE 3.4Å; R289-E291 PolarHBondContact O-N 3.47Å; R289-R302 PolarHBondContact N-O 2.88Å; R289-R302 WeakPolarHBondContact O-CA 3.33Å; R289-R302 WeakPolarHBondContact O-CB 3.48Å; R289-R302 WeakPolarHBondContact O-CG 3.49Å; R289-F304 HydrophobicContact CB-CE1 4.16Å; R289-F304 HydrophobicContact CG-CE1 3.8Å; R289-F304 HydrophobicContact CG-CZ 3.92Å
290N93.8Very high93.4Very high36 Ų3625 Ų2519%0.19312%0.121CC..  trans-70.670.7174.9-166.113.1000109.6F236 L238 F240F236-N290 HydrophobicContact CE1-CB 4.47Å; F236-N290 VanDerWaalsContact CE1-O 3.25Å; F236-N290 WeakPolarHBondContact CE1-O 3.39Å; F236-N290 WeakPolarHBondContact CZ-ND2 3.38Å; L238-N290 WeakPolarHBondContact O-CB 3.3Å; L238-N290 PolarHBondContact O-N 2.94Å; F240-N290 HydrophobicContact CD1-CB 4.06Å; F240-N290 HydrophobicContact CD2-CB 4.06Å; F240-N290 HydrophobicContact CE1-CB 3.79Å; F240-N290 WeakPolarHBondContact CE1-OD1 3.43Å; F240-N290 VanDerWaalsContact CE2-CA 3.48Å; F240-N290 HydrophobicContact CE2-CB 3.84Å; F240-N290 VanDerWaalsContact CE2-N 3.29Å; F240-N290 HydrophobicContact CG-CB 4.21Å; F240-N290 VanDerWaalsContact CZ-CA 3.46Å; F240-N290 HydrophobicContact CZ-CB 3.69Å
291E92.9Very high93.3Very high13 Ų1325.4 Ų25.46%0.06112%0.122CC..  trans-65.7136.2-173.2-179.559.6-99.700111.4R175 R289 P294 R300 R302R175-E291 IonicContact CZ-OE1 3.95Å; R175-E291 IonicContact CZ-OE2 3.47Å; R175-E291 IonicContact NE-OE1 3.98Å; R175-E291 PolarHBondContact NE-OE1 3.23Å; R175-E291 IonicContact NH2-OE1 3.48Å; R175-E291 PolarHBondContact NH2-OE1 3.13Å; R175-E291 IonicContact NH2-OE2 3.48Å; R175-E291 PolarHBondContact NH2-OE2 3.06Å; R289-E291 PolarHBondContact O-N 3.47Å; E291-P294 HydrophobicContact CB-CB 4.05Å; E291-P294 HydrophobicContact CB-CG 4.4Å; E291-P294 HydrophobicContact CG-CB 3.79Å; E291-P294 HydrophobicContact CG-CG 4.35Å; E291-P294 WeakPolarHBondContact O-CD 3.41Å; E291-R300 HydrophobicContact CG-CG 3.88Å; E291-R300 IonicContact OE1-CZ 2.76Å; E291-R300 IonicContact OE1-NE 2.75Å; E291-R300 PolarHBondContact OE1-NE 3.34Å; E291-R300 IonicContact OE1-NH2 3.51Å; E291-R300 IonicContact OE2-CZ 3.61Å; E291-R300 IonicContact OE2-NE 2.97Å; E291-R300 PolarHBondContact OE2-NE 2.81Å; E291-R300 IonicContact OE2-NH2 3.08Å; E291-R300 PolarHBondContact OE2-NH2 2.95Å; E291-R302 HydrophobicContact CB-CG 3.97Å; E291-R302 PolarHBondContact O-NE 3.05Å; E291-R302 PolarHBondContact O-NH2 3.31Å
292I88.9Confident93.2Very high15 Ų1527.9 Ų27.98%0.07713%0.132CC..SBendtrans-70.7-45.4-176.8-65.9159.9000110.3D162 M164 C173 R175 F236 L238D162-I292 HydrophobicContact CB-CD1 3.78Å; M164-I292 HydrophobicContact CB-CD1 3.9Å; M164-I292 HydrophobicContact CB-CG1 4.32Å; M164-I292 HydrophobicContact CB-CG2 3.87Å; M164-I292 HydrophobicContact CE-CG1 4.35Å; C173-I292 HydrophobicContact CB-CG2 4Å; R175-I292 HydrophobicContact CB-CB 4.41Å; R175-I292 HydrophobicContact CB-CD1 4.46Å; R175-I292 HydrophobicContact CB-CG2 4.37Å; R175-I292 HydrophobicContact CG-CD1 3.83Å; F236-I292 HydrophobicContact CB-CD1 4.28Å; F236-I292 HydrophobicContact CD1-CD1 3.9Å; F236-I292 HydrophobicContact CD1-CG1 3.42Å; F236-I292 VanDerWaalsContact CD1-CG1 3.42Å; F236-I292 HydrophobicContact CE1-CG1 3.85Å; F236-I292 HydrophobicContact CG-CG1 4.31Å; L238-I292 HydrophobicContact CD2-CD1 4.23Å; L238-I292 HydrophobicContact CD2-CG1 4.28Å
293S84.8Confident93.1Very high17 Ų1732.8 Ų32.812%0.11916%0.155CC..SBendtrans-133.568.5-177.4-55.40000111.6C173 F174 R175 R295C173-S293 PolarHBondContact O-OG 3.28Å; F174-S293 WeakPolarHBondContact CA-OG 3.33Å; R175-S293 PolarHBondContact N-OG 3.32Å; S293-R295 PolarHBondContact O-N 2.68Å
294P87.2Confident93.1Very high8 Ų834.3 Ų34.35%0.05216%0.162CC..  trans-75.296.3-178.531.2-33.6000110.4A107 E291 R300 R302A107-P294 HydrophobicContact CB-CG 4.1Å; E291-P294 HydrophobicContact CB-CB 4.05Å; E291-P294 HydrophobicContact CB-CG 4.4Å; E291-P294 HydrophobicContact CG-CB 3.79Å; E291-P294 HydrophobicContact CG-CG 4.35Å; E291-P294 WeakPolarHBondContact O-CD 3.41Å; P294-R300 WeakPolarHBondContact CA-O 3.48Å; P294-R300 WeakPolarHBondContact CB-O 3.29Å; P294-R302 HydrophobicContact CB-CG 4.44Å; P294-R302 HydrophobicContact CG-CG 4.3Å
295R83.1Confident93.1Very high116 Ų11634 Ų3444%0.43816%0.16SC..  trans-122.2174.6-179.6-60.8-177.3-178.1-168.1-2.3109.1E172 S293 R300E172-R295 IonicContact OE1-CZ 2.74Å; E172-R295 IonicContact OE1-NH2 3.36Å; E172-R295 PolarHBondContact OE1-NH2 2.85Å; S293-R295 PolarHBondContact O-N 2.68Å; R295-R300 WeakPolarHBondContact O-CB 3.25Å
296Q87Confident93.1Very high94 Ų9433.9 Ų33.944%0.43916%0.158SC..THydrogen-bonded Turntrans70.843.4172.3-48.4166.7-31.200115.1L298 I299Q296-L298 PolarHBondContact O-N 2.85Å; Q296-I299 HydrophobicContact CB-CB 4.27Å; Q296-I299 HydrophobicContact CB-CD1 4.18Å; Q296-I299 WeakPolarHBondContact O-CB 3.45Å; Q296-I299 PolarHBondContact O-N 3.1Å
297G89Confident93.1Very high14 Ų1432.8 Ų32.814%0.14415%0.151CC..G310 helixtrans65.1-132.6173.300000112.4Y110 I299 V301Y110-G297 WeakPolarHBondContact CE2-O 3.39Å; Y110-G297 WeakPolarHBondContact OH-CA 3.22Å; Y110-G297 PolarHBondContact OH-N 3.29Å; Y110-G297 PolarHBondContact OH-O 3.23Å; G297-I299 VanDerWaalsContact C-N 3.27Å; G297-I299 PolarHBondContact O-N 2.91Å; G297-V301 WeakPolarHBondContact O-CG1 3.37Å
298L93.8Very high93.2Very high4 Ų433.2 Ų33.22%0.02115%0.153CC..G310 helixtrans-79.5-1.6-179.4-60.1-177.6000114.7Y96 Y110 Y112 Q296 M543Y96-L298 HydrophobicContact CD1-CD1 3.53Å; Y96-L298 HydrophobicContact CD1-CG 4.13Å; Y96-L298 HydrophobicContact CD2-CD1 4.23Å; Y96-L298 HydrophobicContact CD2-CD2 4.06Å; Y96-L298 HydrophobicContact CD2-CG 3.93Å; Y96-L298 HydrophobicContact CE1-CD1 3.59Å; Y96-L298 HydrophobicContact CE1-CG 4.03Å; Y96-L298 HydrophobicContact CE2-CD1 4.28Å; Y96-L298 HydrophobicContact CE2-CD2 4.38Å; Y96-L298 HydrophobicContact CE2-CG 3.83Å; Y96-L298 HydrophobicContact CG-CD1 3.87Å; Y96-L298 HydrophobicContact CG-CD2 4.23Å; Y96-L298 HydrophobicContact CG-CG 4.08Å; Y110-L298 HydrophobicContact CD1-CD2 4.38Å; Y110-L298 HydrophobicContact CD2-CD2 3.97Å; Y110-L298 HydrophobicContact CG-CD2 3.8Å; Y112-L298 HydrophobicContact CE1-CD1 4.24Å; Q296-L298 PolarHBondContact O-N 2.85Å; L298-M543 HydrophobicContact CD1-CE 3.22Å
299I93.6Very high93.2Very high12 Ų1232 Ų326%0.06215%0.148CC..G310 helixtrans-68.8-42.3179.3-64.3170.6000110.2Q296 G297 H411 I414 R541 Y544Q296-I299 HydrophobicContact CB-CB 4.27Å; Q296-I299 HydrophobicContact CB-CD1 4.18Å; Q296-I299 WeakPolarHBondContact O-CB 3.45Å; Q296-I299 PolarHBondContact O-N 3.1Å; G297-I299 VanDerWaalsContact C-N 3.27Å; G297-I299 PolarHBondContact O-N 2.91Å; I299-H411 HydrophobicContact CD1-CB 4.1Å; I299-H411 VanDerWaalsContact CD1-ND1 3.33Å; I299-H411 WeakPolarHBondContact CD1-ND1 3.47Å; I299-I414 HydrophobicContact CD1-CD1 4.37Å; I299-I414 HydrophobicContact CD1-CG2 4.26Å; I299-I414 HydrophobicContact CG1-CD1 4.14Å; I299-I414 HydrophobicContact CG2-CG2 4.07Å; I299-R541 PolarHBondContact O-NE 3.09Å; I299-Y544 HydrophobicContact CD1-CD1 3.86Å; I299-Y544 HydrophobicContact CD1-CE1 3.71Å; I299-Y544 HydrophobicContact CD1-CE2 4.46Å; I299-Y544 HydrophobicContact CD1-CG 4.37Å; I299-Y544 HydrophobicContact CG1-CD1 3.87Å; I299-Y544 HydrophobicContact CG1-CD2 4.42Å; I299-Y544 HydrophobicContact CG1-CE1 4.24Å; I299-Y544 HydrophobicContact CG1-CG 4.02Å
300R91.9Very high93.4Very high30 Ų3028.3 Ų28.311%0.11313%0.134CC..SBendtrans-136106.5-175.2-161177.5-159.5159.827.6111.8R175 H178 E291 P294 R295R175-R300 VanDerWaalsContact NH2-NH2 3.17Å; H178-R300 PolarHBondContact CE1-NH1 2.98Å; H178-R300 PolarHBondContact CE1-NH2 3.32Å; H178-R300 PolarHBondContact ND1-NH1 2.95Å; H178-R300 PolarHBondContact NE2-NH1 3.5Å; H178-R300 VanDerWaalsContact NE2-NH1 3.12Å; H178-R300 PolarHBondContact NE2-NH2 2.6Å; E291-R300 HydrophobicContact CG-CG 3.88Å; E291-R300 IonicContact OE1-CZ 2.76Å; E291-R300 IonicContact OE1-NE 2.75Å; E291-R300 PolarHBondContact OE1-NE 3.34Å; E291-R300 IonicContact OE1-NH2 3.51Å; E291-R300 IonicContact OE2-CZ 3.61Å; E291-R300 IonicContact OE2-NE 2.97Å; E291-R300 PolarHBondContact OE2-NE 2.81Å; E291-R300 IonicContact OE2-NH2 3.08Å; E291-R300 PolarHBondContact OE2-NH2 2.95Å; P294-R300 WeakPolarHBondContact CA-O 3.48Å; P294-R300 WeakPolarHBondContact CB-O 3.29Å; R295-R300 WeakPolarHBondContact O-CB 3.25Å
301V96Very high93.5Very high17 Ų1727 Ų2710%0.10313%0.127CC..  trans-136165.5-168.7-61.30000110.7G108 Y110 G297 E303 F304G108-V301 WeakPolarHBondContact O-CA 3.25Å; G108-V301 VanDerWaalsContact O-CB 3.32Å; G108-V301 WeakPolarHBondContact O-CB 3.44Å; Y110-V301 HydrophobicContact CD2-CG1 3.66Å; Y110-V301 HydrophobicContact CE2-CG1 3.68Å; G297-V301 WeakPolarHBondContact O-CG1 3.37Å; V301-E303 VanDerWaalsContact CG2-O 3.3Å; V301-E303 WeakPolarHBondContact CG2-O 3.37Å; V301-F304 HydrophobicContact CG2-CB 3.54Å; V301-F304 HydrophobicContact CG2-CD1 3.89Å; V301-F304 HydrophobicContact CG2-CG 4.05Å
302R96.1Very high93.8Very high52 Ų5226.4 Ų26.420%0.19612%0.124CC..SBendtrans-93.7-23.2177.7-70.6176.8171.2136.8-3.7113.7A107 G108 L109 F240 F288 R289 E291 P294A107-R302 PolarHBondContact O-NH1 3.48Å; G108-R302 PolarHBondContact O-N 3.43Å; L109-R302 HydrophobicContact CD2-CB 3.91Å; F240-R302 HydrophobicContact CE2-CB 4.27Å; F240-R302 HydrophobicContact CZ-CB 4.09Å; F240-R302 HydrophobicContact CZ-CG 4.35Å; F288-R302 CarbonylContact C-O 3.59Å; F288-R302 VanDerWaalsContact CA-O 3.3Å; F288-R302 WeakPolarHBondContact CA-O 3.35Å; R289-R302 PolarHBondContact N-O 2.88Å; R289-R302 WeakPolarHBondContact O-CA 3.33Å; R289-R302 WeakPolarHBondContact O-CB 3.48Å; R289-R302 WeakPolarHBondContact O-CG 3.49Å; E291-R302 HydrophobicContact CB-CG 3.97Å; E291-R302 PolarHBondContact O-NE 3.05Å; E291-R302 PolarHBondContact O-NH2 3.31Å; P294-R302 HydrophobicContact CB-CG 4.44Å; P294-R302 HydrophobicContact CG-CG 4.3Å
303E96.7Very high94.1Very high103 Ų10325.8 Ų25.848%0.48112%0.12SC..EExtended strand (participates in β ladder)trans-130.7123.8177.9-178.5-177.8173.100107.9L109 T286 F288 V301L109-E303 HydrophobicContact CD2-CB 4.05Å; T286-E303 HydrophobicContact CG2-CG 3.44Å; T286-E303 VanDerWaalsContact CG2-CG 3.44Å; F288-E303 HydrophobicContact CD1-CB 4.25Å; F288-E303 HydrophobicContact CD1-CG 4.08Å; F288-E303 HydrophobicContact CE1-CB 4.35Å; F288-E303 HydrophobicContact CE1-CG 3.73Å; V301-E303 VanDerWaalsContact CG2-O 3.3Å; V301-E303 WeakPolarHBondContact CG2-O 3.37Å
304F96.8Very high94.6Very high33 Ų3326.2 Ų26.215%0.14512%0.121CC..EExtended strand (participates in β ladder)trans-149150.5-178.850.7-73.3000112.4T286 G287 R289 V301 M306T286-F304 CarbonylContact C-O 3.56Å; T286-F304 VanDerWaalsContact CA-O 3.3Å; T286-F304 WeakPolarHBondContact CA-O 3.18Å; G287-F304 PolarHBondContact N-O 2.9Å; G287-F304 PolarHBondContact O-N 3.32Å; G287-F304 VanDerWaalsContact O-N 3.1Å; R289-F304 HydrophobicContact CB-CE1 4.16Å; R289-F304 HydrophobicContact CG-CE1 3.8Å; R289-F304 HydrophobicContact CG-CZ 3.92Å; V301-F304 HydrophobicContact CG2-CB 3.54Å; V301-F304 HydrophobicContact CG2-CD1 3.89Å; V301-F304 HydrophobicContact CG2-CG 4.05Å; F304-M306 HydrophobicContact CD2-CG 3.51Å; F304-M306 HydrophobicContact CD2-SD 4.1Å; F304-M306 HydrophobicContact CE2-CE 4.21Å; F304-M306 HydrophobicContact CE2-CG 3.43Å; F304-M306 VanDerWaalsContact CE2-CG 3.43Å; F304-M306 HydrophobicContact CE2-SD 3.4Å; F304-M306 WeakPolarHBondContact CE2-SD 3.4Å; F304-M306 HydrophobicContact CZ-SD 4.1Å
305T98.1Very high94.9Very high12 Ų1228.5 Ų28.57%0.07414%0.136CC..EExtended strand (participates in β ladder)trans-85.5127.8172.7-57.50000109.9K120 I124 I284 G285 I539K120-T305 WeakPolarHBondContact CE-OG1 3.31Å; K120-T305 PolarHBondContact NZ-OG1 2.83Å; I124-T305 HydrophobicContact CD1-CG2 4.2Å; I284-T305 HydrophobicContact CG2-CG2 4.2Å; G285-T305 WeakPolarHBondContact O-CA 3.37Å; T305-I539 HydrophobicContact CG2-CB 4.37Å; T305-I539 HydrophobicContact CG2-CG1 4.07Å; T305-I539 WeakPolarHBondContact O-CB 3.32Å; T305-I539 PolarHBondContact O-N 3.2Å; T305-I539 VanDerWaalsContact O-N 3.09Å
306M97.8Very high95.3Very high7 Ų727.3 Ų27.33%0.03415%0.152CC..EExtended strand (participates in β ladder)trans-110.9154.1172.6-57175.675.500109.4T258 I284 G285 F304 E308 S536 F537T258-M306 HydrophobicContact CG2-CB 3.94Å; T258-M306 HydrophobicContact CG2-SD 4.33Å; I284-M306 WeakPolarHBondContact CA-O 3.3Å; G285-M306 PolarHBondContact N-O 2.95Å; G285-M306 PolarHBondContact O-N 3.39Å; F304-M306 HydrophobicContact CD2-CG 3.51Å; F304-M306 HydrophobicContact CD2-SD 4.1Å; F304-M306 HydrophobicContact CE2-CE 4.21Å; F304-M306 HydrophobicContact CE2-CG 3.43Å; F304-M306 VanDerWaalsContact CE2-CG 3.43Å; F304-M306 HydrophobicContact CE2-SD 3.4Å; F304-M306 WeakPolarHBondContact CE2-SD 3.4Å; F304-M306 HydrophobicContact CZ-SD 4.1Å; M306-E308 HydrophobicContact CB-CG 4.3Å; M306-E308 HydrophobicContact CE-CG 4.22Å; M306-E308 WeakPolarHBondContact CE-OE1 3.44Å; M306-S536 WeakPolarHBondContact CE-OG 3.46Å; M306-F537 VanDerWaalsContact CA-O 3.25Å; M306-F537 WeakPolarHBondContact CA-O 3.22Å
307A98.5Very high95.7Very high1 Ų126.6 Ų26.61%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-125.7126.2160.300000106.7W127 Q283 I284 F537 I539W127-A307 HydrophobicContact CD2-CB 3.84Å; W127-A307 HydrophobicContact CE3-CB 4.17Å; W127-A307 HydrophobicContact CG-CB 4.45Å; W127-A307 HydrophobicContact CH2-CB 3.9Å; W127-A307 HydrophobicContact CZ2-CB 3.55Å; W127-A307 HydrophobicContact CZ3-CB 4.18Å; Q283-A307 CarbonylContact O-C 3.29Å; Q283-A307 WeakPolarHBondContact O-CA 3.45Å; I284-A307 HydrophobicContact CG1-CB 3.8Å; A307-F537 HydrophobicContact CB-CB 4.3Å; A307-F537 PolarHBondContact N-O 3.26Å; A307-F537 VanDerWaalsContact N-O 3.12Å; A307-F537 WeakPolarHBondContact O-CB 3.33Å; A307-F537 VanDerWaalsContact O-CD2 3.25Å; A307-F537 WeakPolarHBondContact O-CD2 3.33Å; A307-F537 PolarHBondContact O-N 3.01Å; A307-I539 HydrophobicContact CB-CD1 4.11Å
308E98.3Very high96Very high9 Ų927.6 Ų27.64%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-128.8142.9-175.8-58.2-170.7117.200109.6T258 A259 A282 Q283 M306 P535 S536T258-E308 WeakPolarHBondContact CA-OE2 3.45Å; T258-E308 VanDerWaalsContact CB-OE2 3.22Å; T258-E308 WeakPolarHBondContact CB-OE2 3.45Å; T258-E308 PolarHBondContact N-OE2 3.22Å; T258-E308 WeakPolarHBondContact OG1-CG 3.05Å; T258-E308 PolarHBondContact OG1-OE2 3.03Å; A259-E308 PolarHBondContact N-OE2 3.4Å; A282-E308 CarbonylContact C-O 3.45Å; A282-E308 VanDerWaalsContact CA-O 3.28Å; A282-E308 WeakPolarHBondContact CA-O 3.39Å; Q283-E308 PolarHBondContact N-O 3.42Å; Q283-E308 PolarHBondContact O-N 3.06Å; M306-E308 HydrophobicContact CB-CG 4.3Å; M306-E308 HydrophobicContact CE-CG 4.22Å; M306-E308 WeakPolarHBondContact CE-OE1 3.44Å; E308-P535 WeakPolarHBondContact CA-O 3.36Å; E308-S536 WeakPolarHBondContact CG-OG 3.29Å; E308-S536 WeakPolarHBondContact OE1-CB 3.36Å; E308-S536 PolarHBondContact OE1-OG 3.44Å
309V98.4Very high96.1Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-119.6131.3175.9174.40000107.9W127 M137 A280 A281 A282 H311 Y367 E534 P535W127-V309 HydrophobicContact CH2-CG2 3.67Å; W127-V309 HydrophobicContact CZ2-CG2 3.62Å; M137-V309 HydrophobicContact CE-CG1 3.77Å; M137-V309 HydrophobicContact CE-CG2 4.04Å; M137-V309 HydrophobicContact SD-CB 4.47Å; M137-V309 HydrophobicContact SD-CG1 3.86Å; M137-V309 HydrophobicContact SD-CG2 3.75Å; A280-V309 HydrophobicContact CB-CG1 4.28Å; A281-V309 WeakPolarHBondContact O-CA 3.31Å; A282-V309 HydrophobicContact CB-CG2 4.32Å; V309-H311 HydrophobicContact CG1-CB 4.48Å; V309-Y367 HydrophobicContact CG1-CE1 4.23Å; V309-E534 WeakPolarHBondContact O-CA 3.47Å; V309-P535 HydrophobicContact CB-CB 4.44Å; V309-P535 HydrophobicContact CB-CG 4.26Å; V309-P535 PolarHBondContact N-O 2.85Å; V309-P535 WeakPolarHBondContact O-CD 3.12Å
310E97.7Very high96.3Very high2 Ų233.5 Ų33.51%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-114.699172.4-56.7-59.3152.100107.7A259 I262 F263 A280 A281 F312 V532 E534A259-E310 VanDerWaalsContact CB-OE1 3.23Å; A259-E310 WeakPolarHBondContact CB-OE1 3.14Å; I262-E310 HydrophobicContact CB-CG 3.92Å; I262-E310 HydrophobicContact CD1-CB 4.35Å; I262-E310 HydrophobicContact CD1-CG 3.53Å; I262-E310 HydrophobicContact CG1-CG 4.32Å; I262-E310 HydrophobicContact CG2-CB 3.78Å; I262-E310 HydrophobicContact CG2-CG 3.66Å; F263-E310 HydrophobicContact CZ-CG 4.43Å; F263-E310 VanDerWaalsContact CZ-OE2 3.23Å; F263-E310 WeakPolarHBondContact CZ-OE2 3.2Å; A280-E310 WeakPolarHBondContact CA-O 3.38Å; A281-E310 PolarHBondContact N-O 3.35Å; A281-E310 PolarHBondContact O-N 3.29Å; E310-F312 HydrophobicContact CB-CE2 3.76Å; E310-F312 HydrophobicContact CB-CZ 3.92Å; E310-V532 HydrophobicContact CB-CG2 4.05Å; E310-V532 VanDerWaalsContact OE2-CG2 3.25Å; E310-V532 WeakPolarHBondContact OE2-CG2 3.29Å; E310-E534 VanDerWaalsContact OE2-CD 3.27Å; E310-E534 WeakPolarHBondContact OE2-CG 3.44Å
311H97.8Very high96.4Very high9 Ų936.5 Ų36.54%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-96.399.8179.1-173.5107.9000110.2P278 A280 V309 V313 H320 Y367 V532 I533P278-H311 WeakPolarHBondContact CB-NE2 3.44Å; A280-H311 HydrophobicContact CB-CB 4.16Å; V309-H311 HydrophobicContact CG1-CB 4.48Å; H311-V313 WeakPolarHBondContact CD2-CG1 3.24Å; H311-H320 AromaticContact CE1-CD2 3.64Å; H311-H320 AromaticContact CE1-NE2 3.63Å; H311-H320 AromaticContact NE2-CD2 3.88Å; H311-Y367 HydrophobicContact CB-CE2 3.57Å; H311-Y367 AromaticContact CG-CE2 3.55Å; H311-Y367 AromaticContact CG-CZ 3.97Å; H311-Y367 AromaticContact ND1-CE2 3.54Å; H311-Y367 AromaticContact ND1-CZ 3.6Å; H311-Y367 PolarHBondContact ND1-OH 2.8Å; H311-V532 WeakPolarHBondContact O-CA 3.42Å; H311-I533 HydrophobicContact CB-CB 4.29Å; H311-I533 PolarHBondContact N-O 3.32Å; H311-I533 PolarHBondContact O-N 3.03Å
312F97.6Very high96.4Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-79.2130.1-178.9-61.9-80.5000111.2I262 F263 F266 L277 P278 F279 E310 L427 P530 S531 V532I262-F312 HydrophobicContact CG2-CE2 4.03Å; I262-F312 HydrophobicContact CG2-CZ 4.18Å; F263-F312 HydrophobicContact CD1-CE1 4.05Å; F263-F312 AromaticContact CD1-CZ 3.98Å; F263-F312 HydrophobicContact CD1-CZ 3.98Å; F263-F312 AromaticContact CE1-CE1 3.91Å; F263-F312 HydrophobicContact CE1-CE1 3.91Å; F263-F312 AromaticContact CE1-CZ 3.99Å; F263-F312 HydrophobicContact CE1-CZ 3.99Å; F266-F312 AromaticContact CD2-CD1 3.87Å; F266-F312 HydrophobicContact CD2-CD1 3.87Å; F266-F312 HydrophobicContact CD2-CD2 4.15Å; F266-F312 AromaticContact CD2-CE1 3.69Å; F266-F312 HydrophobicContact CD2-CE1 3.69Å; F266-F312 AromaticContact CD2-CE2 3.98Å; F266-F312 HydrophobicContact CD2-CE2 3.98Å; F266-F312 HydrophobicContact CD2-CG 4.1Å; F266-F312 AromaticContact CD2-CZ 3.75Å; F266-F312 HydrophobicContact CD2-CZ 3.75Å; F266-F312 HydrophobicContact CE2-CB 4.33Å; F266-F312 AromaticContact CE2-CD1 3.7Å; F266-F312 HydrophobicContact CE2-CD1 3.7Å; F266-F312 HydrophobicContact CE2-CD2 4.21Å; F266-F312 HydrophobicContact CE2-CE1 4.02Å; F266-F312 HydrophobicContact CE2-CE2 4.49Å; F266-F312 AromaticContact CE2-CG 3.8Å; F266-F312 HydrophobicContact CE2-CG 3.8Å; F266-F312 HydrophobicContact CE2-CZ 4.4Å; L277-F312 HydrophobicContact CD2-CB 3.7Å; L277-F312 VanDerWaalsContact CD2-O 3.26Å; L277-F312 WeakPolarHBondContact CD2-O 3.5Å; P278-F312 WeakPolarHBondContact CA-O 3.34Å; P278-F312 WeakPolarHBondContact CB-O 3.14Å; F279-F312 HydrophobicContact CD1-CB 4.26Å; F279-F312 HydrophobicContact CD2-CD2 4.28Å; F279-F312 HydrophobicContact CE1-CB 3.93Å; F279-F312 AromaticContact CE1-CD2 3.99Å; F279-F312 HydrophobicContact CE1-CD2 3.99Å; F279-F312 HydrophobicContact CE1-CG 4.19Å; F279-F312 AromaticContact CE2-CD2 3.57Å; F279-F312 HydrophobicContact CE2-CD2 3.57Å; F279-F312 HydrophobicContact CE2-CE2 4.08Å; F279-F312 HydrophobicContact CZ-CB 4.23Å; F279-F312 AromaticContact CZ-CD2 3.39Å; F279-F312 HydrophobicContact CZ-CD2 3.39Å; F279-F312 HydrophobicContact CZ-CE2 4.02Å; F279-F312 HydrophobicContact CZ-CG 4Å; F279-F312 PolarHBondContact N-O 3.47Å; F279-F312 VanDerWaalsContact N-O 3.11Å; F279-F312 PolarHBondContact O-N 3.25Å; E310-F312 HydrophobicContact CB-CE2 3.76Å; E310-F312 HydrophobicContact CB-CZ 3.92Å; F312-L427 HydrophobicContact CD1-CD1 4.34Å; F312-L427 HydrophobicContact CE1-CD1 4Å; F312-P530 HydrophobicContact CB-CB 4.29Å; F312-P530 HydrophobicContact CD1-CB 4.39Å; F312-P530 HydrophobicContact CD1-CG 4Å; F312-S531 WeakPolarHBondContact CA-O 3.38Å; F312-V532 HydrophobicContact CD1-CB 4.22Å; F312-V532 HydrophobicContact CD1-CG2 4.16Å; F312-V532 HydrophobicContact CE1-CB 4.35Å; F312-V532 HydrophobicContact CE1-CG2 4.11Å
313V96.1Very high96.5Very high1 Ų136.1 Ų36.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-135.6161.6-177.5-49.90000112.4P278 H311 P315 K318 T363 P530 S531P278-V313 HydrophobicContact CB-CG1 4.03Å; H311-V313 WeakPolarHBondContact CD2-CG1 3.24Å; V313-P315 WeakPolarHBondContact O-CD 3.1Å; V313-K318 HydrophobicContact CG2-CB 4.49Å; V313-K318 HydrophobicContact CG2-CD 4.26Å; V313-K318 HydrophobicContact CG2-CG 3.84Å; V313-T363 HydrophobicContact CG1-CG2 4.36Å; V313-P530 CarbonylContact O-C 3.6Å; V313-P530 VanDerWaalsContact O-CA 3.27Å; V313-P530 WeakPolarHBondContact O-CA 3.19Å; V313-P530 VanDerWaalsContact O-CB 3.3Å; V313-P530 WeakPolarHBondContact O-CB 3.43Å; V313-S531 PolarHBondContact N-O 2.93Å; V313-S531 PolarHBondContact O-N 3.12Å
314D95Very high96.6Very high26 Ų2637.8 Ų37.814%0.13921%0.205CC..BIsolated β-bridgetrans-66.1121.6165.7-175.3-20.8000108.9A316 N317 K442 F528D314-A316 PolarHBondContact O-N 3.02Å; D314-A316 VanDerWaalsContact O-N 3.11Å; D314-A316 WeakPolarHBondContact OD1-CB 3.44Å; D314-A316 PolarHBondContact OD1-N 2.97Å; D314-N317 HydrophobicContact CB-CB 4.27Å; D314-N317 CarbonylContact O-C 3.56Å; D314-N317 PolarHBondContact O-N 2.97Å; D314-N317 VanDerWaalsContact O-O 3.06Å; D314-K442 IonicContact OD2-NZ 3.15Å; D314-K442 PolarHBondContact OD2-NZ 2.92Å; D314-F528 HydrophobicContact CB-CE2 4.18Å; D314-F528 HydrophobicContact CB-CZ 4.25Å
315P93.2Very high96.6Very high56 Ų5641.6 Ų41.636%0.36423%0.228SC..THydrogen-bonded Turntrans-54.7-29.7177.2-22.230.4000113.4V313 F528 V529 S531V313-P315 WeakPolarHBondContact O-CD 3.1Å; P315-F528 HydrophobicContact CG-CD2 4.31Å; P315-V529 WeakPolarHBondContact CG-O 3.28Å; P315-S531 WeakPolarHBondContact CA-OG 3.21Å; P315-S531 WeakPolarHBondContact CB-OG 3.29Å; P315-S531 WeakPolarHBondContact CG-OG 3.39Å
316A92.4Very high96.5Very high92 Ų9241.5 Ų41.576%0.7623%0.227SC*.THydrogen-bonded Turntrans-84.5-10.417800000113.4D314D314-A316 PolarHBondContact O-N 3.02Å; D314-A316 VanDerWaalsContact O-N 3.11Å; D314-A316 WeakPolarHBondContact OD1-CB 3.44Å; D314-A316 PolarHBondContact OD1-N 2.97Å
317N94.3Very high96.5Very high78 Ų7843.2 Ų43.242%0.41724%0.235SC..BIsolated β-bridgetrans-144.193.3178.3-176.210.8000111.8D314 Q319D314-N317 HydrophobicContact CB-CB 4.27Å; D314-N317 CarbonylContact O-C 3.56Å; D314-N317 PolarHBondContact O-N 2.97Å; D314-N317 VanDerWaalsContact O-O 3.06Å; N317-Q319 WeakPolarHBondContact OD1-CB 3.33Å; N317-Q319 WeakPolarHBondContact OD1-CG 3.32Å; N317-Q319 PolarHBondContact OD1-N 2.88Å
318K96Very high96.5Very high35 Ų3549 Ų4915%0.15226%0.26CS..  trans-100.129.1177.6-53.3-165.5-176.9-175.80113.5V313 N361 T363 D421V313-K318 HydrophobicContact CG2-CB 4.49Å; V313-K318 HydrophobicContact CG2-CD 4.26Å; V313-K318 HydrophobicContact CG2-CG 3.84Å; K318-N361 HydrophobicContact CB-CB 3.71Å; K318-N361 HydrophobicContact CD-CB 4.3Å; K318-N361 PolarHBondContact O-OD1 2.87Å; K318-T363 PolarHBondContact O-N 3.26Å; K318-T363 PolarHBondContact O-OG1 3.33Å; K318-D421 IonicContact NZ-OD1 2.89Å; K318-D421 PolarHBondContact NZ-OD1 2.95Å; K318-D421 IonicContact NZ-OD2 2.74Å; K318-D421 PolarHBondContact NZ-OD2 3.47Å
319Q96.4Very high96.5Very high126 Ų12651.6 Ų51.659%0.58927%0.27SS*.  trans-72.2146171-68.9173.441.400110.6N317 E362N317-Q319 WeakPolarHBondContact OD1-CB 3.33Å; N317-Q319 WeakPolarHBondContact OD1-CG 3.32Å; N317-Q319 PolarHBondContact OD1-N 2.88Å; Q319-E362 WeakPolarHBondContact CA-OE2 3.36Å; Q319-E362 WeakPolarHBondContact CB-OE2 2.83Å
320H96.9Very high96.4Very high15 Ų1556.9 Ų56.97%0.06929%0.294CS..  trans-114.4125.1175.9-166.7-94.1000111H311 K322 F323 E362 Y366H311-H320 AromaticContact CE1-CD2 3.64Å; H311-H320 AromaticContact CE1-NE2 3.63Å; H311-H320 AromaticContact NE2-CD2 3.88Å; H320-K322 PolarHBondContact ND1-N 2.88Å; H320-K322 PolarHBondContact O-N 3.25Å; H320-F323 HydrophobicContact CB-CB 4.16Å; H320-F323 WeakPolarHBondContact O-CB 3.42Å; H320-F323 PolarHBondContact O-N 2.89Å; H320-E362 PolarHBondContact N-OE2 2.9Å; H320-Y366 HydrophobicContact CB-CG 4.47Å; H320-Y366 AromaticContact CE1-CD1 3.33Å; H320-Y366 WeakPolarHBondContact CE1-CD1 2.97Å; H320-Y366 AromaticContact CE1-CD2 3.93Å; H320-Y366 AromaticContact CE1-CE1 3.23Å; H320-Y366 WeakPolarHBondContact CE1-CE1 3.35Å; H320-Y366 AromaticContact CE1-CE2 3.85Å; H320-Y366 AromaticContact CE1-CG 3.71Å; H320-Y366 AromaticContact CE1-CZ 3.52Å; H320-Y366 AromaticContact CG-CD1 3.94Å; H320-Y366 AromaticContact CG-CG 3.85Å; H320-Y366 AromaticContact ND1-CD1 3.5Å; H320-Y366 WeakPolarHBondContact ND1-CD1 2.91Å; H320-Y366 AromaticContact ND1-CD2 3.52Å; H320-Y366 AromaticContact ND1-CE1 3.8Å; H320-Y366 AromaticContact ND1-CE2 3.83Å; H320-Y366 AromaticContact ND1-CG 3.36Å; H320-Y366 AromaticContact ND1-CZ 3.97Å; H320-Y366 AromaticContact NE2-CD1 3.71Å; H320-Y366 AromaticContact NE2-CE1 3.76Å
321P94.2Very high96.4Very high92 Ų9256.8 Ų56.860%0.59729%0.294SS*.THydrogen-bonded Turntrans-55.3-28-175.7-27.834.6000115
322K96.9Very high96.4Very high51 Ų5157.1 Ų57.122%0.22230%0.297CS..THydrogen-bonded Turntrans-100.13.8179-57.6-176.4-178.7178.20114.2E134 D135 H320 K324 D325 Y366E134-K322 PolarHBondContact O-NZ 2.98Å; E134-K322 IonicContact OE1-NZ 2.86Å; E134-K322 PolarHBondContact OE1-NZ 2.91Å; D135-K322 IonicContact OD1-NZ 2.63Å; D135-K322 PolarHBondContact OD1-NZ 2.84Å; H320-K322 PolarHBondContact ND1-N 2.88Å; H320-K322 PolarHBondContact O-N 3.25Å; K322-K324 PolarHBondContact O-N 3.4Å; K322-D325 WeakPolarHBondContact O-CB 3.33Å; K322-D325 PolarHBondContact O-N 2.82Å; K322-Y366 HydrophobicContact CB-CD2 4.22Å; K322-Y366 HydrophobicContact CB-CE2 3.59Å; K322-Y366 HydrophobicContact CD-CE2 4.49Å
323F98.3Very high96.4Very high10 Ų1057.2 Ų57.24%0.04430%0.298CS..Hα-helixtrans-58.3-36.5178.1-177.5-110.4000111.7H320 D325 V326 Q327 L350 V354 E362H320-F323 HydrophobicContact CB-CB 4.16Å; H320-F323 WeakPolarHBondContact O-CB 3.42Å; H320-F323 PolarHBondContact O-N 2.89Å; F323-D325 PolarHBondContact O-N 2.86Å; F323-V326 HydrophobicContact CD2-CG2 4.21Å; F323-V326 CarbonylContact O-C 3.5Å; F323-V326 WeakPolarHBondContact O-CG2 3.39Å; F323-V326 PolarHBondContact O-N 3.14Å; F323-Q327 HydrophobicContact CD1-CB 4.26Å; F323-Q327 HydrophobicContact CE1-CB 3.98Å; F323-Q327 HydrophobicContact CZ-CB 4.4Å; F323-Q327 PolarHBondContact O-N 3.46Å; F323-L350 HydrophobicContact CE2-CB 4.01Å; F323-L350 HydrophobicContact CZ-CB 4.1Å; F323-V354 HydrophobicContact CE2-CG2 4.14Å; F323-V354 HydrophobicContact CZ-CB 4.25Å; F323-V354 HydrophobicContact CZ-CG2 3.79Å; F323-E362 HydrophobicContact CB-CB 4.02Å; F323-E362 HydrophobicContact CD1-CB 3.93Å; F323-E362 HydrophobicContact CD1-CG 3.64Å; F323-E362 HydrophobicContact CD2-CB 3.99Å; F323-E362 WeakPolarHBondContact CD2-O 3.41Å; F323-E362 HydrophobicContact CE1-CB 4.4Å; F323-E362 HydrophobicContact CE1-CG 3.91Å; F323-E362 HydrophobicContact CE2-CB 4.44Å; F323-E362 HydrophobicContact CG-CB 3.71Å; F323-E362 HydrophobicContact CG-CG 3.98Å; F323-E362 HydrophobicContact CZ-CG 4.45Å
324K97.6Very high96.4Very high138 Ų13858.6 Ų58.660%0.630%0.303SS*.Hα-helixtrans-53.2-29.1175.268.3-176.3-179.9178.50114.1K322 V326 Q327K322-K324 PolarHBondContact O-N 3.4Å; K324-V326 VanDerWaalsContact C-N 3.32Å; K324-Q327 PolarHBondContact O-NE2 3.28Å
325D96.4Very high96.3Very high114 Ų11458 Ų5861%0.6130%0.302SS*.Hα-helixtrans-79.7-19.3-177.3-53.8-37.1000111.6K322 F323K322-D325 WeakPolarHBondContact O-CB 3.33Å; K322-D325 PolarHBondContact O-N 2.82Å; F323-D325 PolarHBondContact O-N 2.86Å
326V97.4Very high96.1Very high10 Ų1056.3 Ų56.36%0.06129%0.292CS..Hα-helixtrans-120.70.3-179.6-58.80000113.5F323 K324 F328 Y329 L350 Y366 A369F323-V326 HydrophobicContact CD2-CG2 4.21Å; F323-V326 CarbonylContact O-C 3.5Å; F323-V326 WeakPolarHBondContact O-CG2 3.39Å; F323-V326 PolarHBondContact O-N 3.14Å; K324-V326 VanDerWaalsContact C-N 3.32Å; V326-F328 PolarHBondContact O-N 2.77Å; V326-Y329 WeakPolarHBondContact O-CB 3.29Å; V326-Y329 PolarHBondContact O-N 2.82Å; V326-L350 HydrophobicContact CB-CD1 4.27Å; V326-L350 HydrophobicContact CG2-CD1 4.13Å; V326-L350 WeakPolarHBondContact O-CD1 3.45Å; V326-Y366 HydrophobicContact CG1-CE2 4.49Å; V326-Y366 HydrophobicContact CG2-CD2 3.71Å; V326-Y366 HydrophobicContact CG2-CE2 4.4Å; V326-A369 HydrophobicContact CB-CB 3.83Å; V326-A369 HydrophobicContact CG1-CB 4.12Å; V326-A369 HydrophobicContact CG2-CB 3.91Å
327Q97.8Very high95.9Very high43 Ų4356.6 Ų56.620%0.20129%0.287CS..THydrogen-bonded Turntrans-57.3-29.9-17375.6-174.3-68.800113.8F323 K324 L350 K351F323-Q327 HydrophobicContact CD1-CB 4.26Å; F323-Q327 HydrophobicContact CE1-CB 3.98Å; F323-Q327 HydrophobicContact CZ-CB 4.4Å; F323-Q327 PolarHBondContact O-N 3.46Å; K324-Q327 PolarHBondContact O-NE2 3.28Å; Q327-L350 PolarHBondContact O-N 3.33Å; Q327-K351 HydrophobicContact CB-CB 4.16Å; Q327-K351 VanDerWaalsContact O-CB 3.24Å; Q327-K351 WeakPolarHBondContact O-CB 3.5Å; Q327-K351 PolarHBondContact O-N 3.36Å
328F97.9Very high95.4Very high122 Ų12253.1 Ų53.154%0.53527%0.27SS..THydrogen-bonded Turntrans-97.71.2178-56.1-63.3000113V326 K351V326-F328 PolarHBondContact O-N 2.77Å; F328-K351 HydrophobicContact CE1-CD 4.05Å
329Y97.5Very high95Very high63 Ų6353 Ų5325%0.24727%0.27CS..  trans-69.7135.8176.3-170.6-104.8000109.5V326 I331 L350 A369 H372 Q373V326-Y329 WeakPolarHBondContact O-CB 3.29Å; V326-Y329 PolarHBondContact O-N 2.82Å; Y329-I331 HydrophobicContact CD1-CG2 3.7Å; Y329-I331 HydrophobicContact CE1-CG2 3.65Å; Y329-L350 PolarHBondContact O-N 2.81Å; Y329-L350 VanDerWaalsContact O-N 3.14Å; Y329-A369 HydrophobicContact CD1-CB 4.07Å; Y329-H372 HydrophobicContact CE1-CB 4.15Å; Y329-H372 AromaticContact CE1-ND1 3.3Å; Y329-H372 VanDerWaalsContact CE1-ND1 3.3Å; Y329-H372 WeakPolarHBondContact CE1-ND1 3.37Å; Y329-H372 AromaticContact CZ-ND1 3.44Å; Y329-H372 PolarHBondContact OH-ND1 2.94Å; Y329-Q373 HydrophobicContact CE1-CG 3.92Å; Y329-Q373 HydrophobicContact CE2-CG 4.05Å; Y329-Q373 WeakPolarHBondContact OH-CG 3.33Å
330E97.8Very high94.2Very high111 Ų11151.8 Ų51.852%0.51927%0.267SS..EExtended strand (participates in β ladder)trans-97.6132.8-175.4-72.4-177.8164.500110.8V347 Y348 Q349E330-V347 HydrophobicContact CB-CG1 3.68Å; E330-V347 HydrophobicContact CG-CG1 4.2Å; E330-Y348 VanDerWaalsContact CA-O 3.3Å; E330-Y348 WeakPolarHBondContact CA-O 3.5Å; E330-Q349 HydrophobicContact CG-CG 3.81Å
331I97.1Very high93.4Very high1 Ų155.6 Ų55.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-133.5144.9177.159.3170.6000112.3Y329 L333 V347 Y348 L350 I359 M368 H372Y329-I331 HydrophobicContact CD1-CG2 3.7Å; Y329-I331 HydrophobicContact CE1-CG2 3.65Å; I331-L333 HydrophobicContact CD1-CD2 3.54Å; I331-L333 HydrophobicContact CD1-CG 4.36Å; I331-L333 HydrophobicContact CG1-CD2 3.77Å; I331-L333 HydrophobicContact CG1-CG 4.13Å; I331-L333 PolarHBondContact O-N 3.01Å; I331-V347 WeakPolarHBondContact O-CA 3.35Å; I331-Y348 PolarHBondContact N-O 3.47Å; I331-Y348 PolarHBondContact O-N 3.49Å; I331-L350 HydrophobicContact CD1-CD2 3.51Å; I331-L350 HydrophobicContact CD1-CG 4.31Å; I331-L350 HydrophobicContact CG1-CD2 4.09Å; I331-L350 HydrophobicContact CG1-CG 4.44Å; I331-I359 HydrophobicContact CD1-CD1 4.33Å; I331-M368 HydrophobicContact CD1-CB 3.93Å; I331-M368 HydrophobicContact CD1-CE 3.98Å; I331-H372 HydrophobicContact CG2-CB 3.87Å
332P97.6Very high92.5Very high16 Ų1654.2 Ų54.210%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-79.4110.3177.729.1-32000111.6V345 H372 L385 F387P332-V345 HydrophobicContact CB-CG1 3.6Å; P332-H372 WeakPolarHBondContact CD-NE2 3.4Å; P332-L385 VanDerWaalsContact CG-O 3.3Å; P332-L385 WeakPolarHBondContact CG-O 3.48Å; P332-F387 PolarHBondContact O-N 2.94Å
333L98Very high91.5Very high2 Ų253.4 Ų53.41%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-107.6136.3-178.5-56.8-174.8000111.8I331 V345 E346 Y348 A353 L358 I359 M368 F387 W403I331-L333 HydrophobicContact CD1-CD2 3.54Å; I331-L333 HydrophobicContact CD1-CG 4.36Å; I331-L333 HydrophobicContact CG1-CD2 3.77Å; I331-L333 HydrophobicContact CG1-CG 4.13Å; I331-L333 PolarHBondContact O-N 3.01Å; L333-V345 WeakPolarHBondContact O-CA 3.31Å; L333-E346 PolarHBondContact N-O 3.42Å; L333-E346 PolarHBondContact O-N 2.65Å; L333-Y348 HydrophobicContact CB-CD2 3.92Å; L333-Y348 HydrophobicContact CB-CE2 4.34Å; L333-Y348 HydrophobicContact CD1-CD2 3.73Å; L333-Y348 HydrophobicContact CD1-CG 4.06Å; L333-Y348 HydrophobicContact CG-CD2 4.02Å; L333-A353 HydrophobicContact CD1-CB 4.01Å; L333-L358 HydrophobicContact CD1-CD2 3.64Å; L333-L358 HydrophobicContact CD1-CG 4.35Å; L333-I359 HydrophobicContact CD1-CD1 4.08Å; L333-I359 HydrophobicContact CD1-CG1 4.39Å; L333-M368 HydrophobicContact CD2-CE 3.58Å; L333-F387 CarbonylContact C-O 3.53Å; L333-F387 HydrophobicContact CD2-CB 3.77Å; L333-F387 HydrophobicContact CD2-CG 4.39Å; L333-W403 HydrophobicContact CB-CH2 4.1Å; L333-W403 HydrophobicContact CB-CZ3 3.94Å; L333-W403 HydrophobicContact CD1-CH2 4.2Å; L333-W403 HydrophobicContact CD2-CE3 4.28Å; L333-W403 HydrophobicContact CD2-CH2 4.2Å; L333-W403 HydrophobicContact CD2-CZ3 3.84Å; L333-W403 HydrophobicContact CG-CH2 4.4Å; L333-W403 HydrophobicContact CG-CZ3 4.34Å
334F95.6Very high91Very high29 Ų2959.1 Ų59.113%0.12733%0.331CS..EExtended strand (participates in β ladder)trans-117.488.6169.1-168.9-150.1000108.8Q339 V345 F387 R388 Q389F334-Q339 HydrophobicContact CD1-CG 3.67Å; F334-Q339 HydrophobicContact CD2-CG 4.11Å; F334-Q339 HydrophobicContact CE1-CG 3.31Å; F334-Q339 HydrophobicContact CE2-CB 4.5Å; F334-Q339 HydrophobicContact CE2-CG 3.78Å; F334-Q339 HydrophobicContact CG-CG 4.06Å; F334-Q339 HydrophobicContact CZ-CB 4.19Å; F334-Q339 HydrophobicContact CZ-CG 3.37Å; F334-Q339 PolarHBondContact O-NE2 3.37Å; F334-V345 HydrophobicContact CB-CG2 4.19Å; F334-V345 HydrophobicContact CG-CG2 4.42Å; F334-F387 PolarHBondContact N-O 3.35Å; F334-R388 HydrophobicContact CD1-CG 4.01Å; F334-Q389 PolarHBondContact O-N 2.75Å
335S93.9Very high90.7Very high15 Ų1555.3 Ų55.311%0.10532%0.319CS..  trans-64.5160-174.164.90000112.8C337 G338 Q339S335-C337 VanDerWaalsContact C-N 3.3Å; S335-C337 PolarHBondContact O-N 3.39Å; S335-G338 PolarHBondContact O-N 3.34Å; S335-G338 PolarHBondContact OG-N 3Å; S335-Q339 WeakPolarHBondContact O-CG 3.38Å; S335-Q339 PolarHBondContact O-N 3.37Å; S335-Q339 PolarHBondContact O-NE2 2.83Å
336A89.2Confident90.6Very high19 Ų1954.7 Ų54.716%0.15731%0.312CS..Hα-helixtrans-59.4-43174.300000111.3G338 Q339 L340 Q389 L391A336-G338 VanDerWaalsContact C-N 3.35Å; A336-G338 PolarHBondContact O-N 3.24Å; A336-Q339 WeakPolarHBondContact O-CB 3.07Å; A336-Q339 PolarHBondContact O-N 3.03Å; A336-L340 WeakPolarHBondContact O-CG 3.47Å; A336-L340 PolarHBondContact O-N 3.2Å; A336-Q389 HydrophobicContact CB-CB 4.43Å; A336-Q389 HydrophobicContact CB-CG 4.42Å; A336-Q389 VanDerWaalsContact N-OE1 3.09Å; A336-L391 HydrophobicContact CB-CD2 3.89Å
337C86.7Confident90.6Very high98 Ų9858.7 Ų58.766%0.66234%0.336SS*.Hα-helixtrans-61.5-41.7174.1-66.30000112.3S335 Q339 L340 S341S335-C337 VanDerWaalsContact C-N 3.3Å; S335-C337 PolarHBondContact O-N 3.39Å; C337-Q339 VanDerWaalsContact C-N 3.33Å; C337-Q339 PolarHBondContact O-N 2.99Å; C337-L340 PolarHBondContact O-N 3.42Å; C337-S341 WeakPolarHBondContact O-CB 3.33Å; C337-S341 PolarHBondContact O-N 3.29Å; C337-S341 PolarHBondContact O-OG 3.5Å
338G84.7Confident90.5Very high6 Ų658.7 Ų58.76%0.06234%0.335CS..Hα-helixtrans-61.2-40.8175.300000112S335 A336 S341 G342 G343S335-G338 PolarHBondContact O-N 3.34Å; S335-G338 PolarHBondContact OG-N 3Å; A336-G338 VanDerWaalsContact C-N 3.35Å; A336-G338 PolarHBondContact O-N 3.24Å; G338-S341 PolarHBondContact O-OG 3.37Å; G338-G342 PolarHBondContact O-N 2.91Å; G338-G343 WeakPolarHBondContact O-CA 3.47Å; G338-G343 PolarHBondContact O-N 3.29Å
339Q87.1Confident90.6Very high33 Ų3356.2 Ų56.215%0.15433%0.325CS..Hα-helixtrans-61.8-51.7175.5-75.9169.787.500112.3F334 S335 A336 C337 S341 G342 Q389 L391F334-Q339 HydrophobicContact CD1-CG 3.67Å; F334-Q339 HydrophobicContact CD2-CG 4.11Å; F334-Q339 HydrophobicContact CE1-CG 3.31Å; F334-Q339 HydrophobicContact CE2-CB 4.5Å; F334-Q339 HydrophobicContact CE2-CG 3.78Å; F334-Q339 HydrophobicContact CG-CG 4.06Å; F334-Q339 HydrophobicContact CZ-CB 4.19Å; F334-Q339 HydrophobicContact CZ-CG 3.37Å; F334-Q339 PolarHBondContact O-NE2 3.37Å; S335-Q339 WeakPolarHBondContact O-CG 3.38Å; S335-Q339 PolarHBondContact O-N 3.37Å; S335-Q339 PolarHBondContact O-NE2 2.83Å; A336-Q339 WeakPolarHBondContact O-CB 3.07Å; A336-Q339 PolarHBondContact O-N 3.03Å; C337-Q339 VanDerWaalsContact C-N 3.33Å; C337-Q339 PolarHBondContact O-N 2.99Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-S341 PolarHBondContact O-N 3.09Å; Q339-G342 PolarHBondContact O-N 3.48Å; Q339-Q389 PolarHBondContact NE2-O 2.97Å; Q339-L391 HydrophobicContact CB-CD2 4.21Å
340L79.2Confident90.6Very high100 Ų10053.2 Ų53.252%0.52431%0.313SS..Hα-helixtrans-65.6-36-177.1-65.7173.3000112.7A336 C337 G342 L391A336-L340 WeakPolarHBondContact O-CG 3.47Å; A336-L340 PolarHBondContact O-N 3.2Å; C337-L340 PolarHBondContact O-N 3.42Å; L340-G342 VanDerWaalsContact C-N 3.34Å; L340-L391 HydrophobicContact CD1-CD2 4.41Å; L340-L391 HydrophobicContact CD2-CD1 4.28Å; L340-L391 HydrophobicContact CD2-CD2 4.16Å; L340-L391 HydrophobicContact CG-CD2 4Å
341S79.8Confident90.6Very high95 Ų9552.7 Ų52.766%0.66431%0.309SS*.Hα-helixtrans-83.1-4.7179.760.40000114.4C337 G338 Q339 G343C337-S341 WeakPolarHBondContact O-CB 3.33Å; C337-S341 PolarHBondContact O-N 3.29Å; C337-S341 PolarHBondContact O-OG 3.5Å; G338-S341 PolarHBondContact O-OG 3.37Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-S341 PolarHBondContact O-N 3.09Å; S341-G343 VanDerWaalsContact C-N 3.27Å
342G75.7Confident90.6Very high63 Ų6357.3 Ų57.365%0.64933%0.331SS*.THydrogen-bonded Turntrans70.225-173.100000113.5G338 Q339 L340G338-G342 PolarHBondContact O-N 2.91Å; Q339-G342 PolarHBondContact O-N 3.48Å; L340-G342 VanDerWaalsContact C-N 3.34Å
343G76.6Confident90.7Very high33 Ų3356.5 Ų56.534%0.3433%0.326SS..  trans-65.4-177.3172.600000113.4G338 S341G338-G343 WeakPolarHBondContact O-CA 3.47Å; G338-G343 PolarHBondContact O-N 3.29Å; S341-G343 VanDerWaalsContact C-N 3.27Å
344Q87.3Confident90.7Very high130 Ų13057.8 Ų57.861%0.60733%0.334SS*.  trans-116.6171.5-178.5-63.2-173.9-600110.4E346Q344-E346 PolarHBondContact O-N 3.09Å
345V92Very high90.7Very high58 Ų5860.9 Ų60.935%0.35236%0.359SS..  trans-65.4130.4170-177.30000108.4P332 L333 F334 R386P332-V345 HydrophobicContact CB-CG1 3.6Å; L333-V345 WeakPolarHBondContact O-CA 3.31Å; F334-V345 HydrophobicContact CB-CG2 4.19Å; F334-V345 HydrophobicContact CG-CG2 4.42Å; V345-R386 HydrophobicContact CG1-CB 4.26Å; V345-R386 HydrophobicContact CG2-CB 4.19Å
346E94.3Very high90.9Very high102 Ų10264.6 Ų64.648%0.47738%0.381SS..EExtended strand (participates in β ladder)trans-118.6145.9178.4-70.4-179.7105.400109.7L333 Q344 Y348L333-E346 PolarHBondContact N-O 3.42Å; L333-E346 PolarHBondContact O-N 2.65Å; Q344-E346 PolarHBondContact O-N 3.09Å; E346-Y348 HydrophobicContact CB-CD2 4.2Å; E346-Y348 HydrophobicContact CB-CE2 3.55Å; E346-Y348 PolarHBondContact OE2-OH 2.88Å
347V96.5Very high91.2Very high93 Ų9366.1 Ų66.156%0.56440%0.399SS*.EExtended strand (participates in β ladder)trans-96.1124.6179.81780000108.6E330 I331E330-V347 HydrophobicContact CB-CG1 3.68Å; E330-V347 HydrophobicContact CG-CG1 4.2Å; I331-V347 WeakPolarHBondContact O-CA 3.35Å
348Y97.3Very high91.6Very high44 Ų4463 Ų6317%0.17338%0.375CS..EExtended strand (participates in β ladder)trans-120.3143.4179.4-72.4-91000111.3E330 I331 L333 E346 E352 L358E330-Y348 VanDerWaalsContact CA-O 3.3Å; E330-Y348 WeakPolarHBondContact CA-O 3.5Å; I331-Y348 PolarHBondContact N-O 3.47Å; I331-Y348 PolarHBondContact O-N 3.49Å; L333-Y348 HydrophobicContact CB-CD2 3.92Å; L333-Y348 HydrophobicContact CB-CE2 4.34Å; L333-Y348 HydrophobicContact CD1-CD2 3.73Å; L333-Y348 HydrophobicContact CD1-CG 4.06Å; L333-Y348 HydrophobicContact CG-CD2 4.02Å; E346-Y348 HydrophobicContact CB-CD2 4.2Å; E346-Y348 HydrophobicContact CB-CE2 3.55Å; E346-Y348 PolarHBondContact OE2-OH 2.88Å; Y348-E352 HydrophobicContact CD1-CG 4.42Å; Y348-L358 HydrophobicContact CD2-CD2 4.13Å; Y348-L358 HydrophobicContact CE1-CD2 4.31Å; Y348-L358 HydrophobicContact CE2-CD2 3.86Å; Y348-L358 HydrophobicContact CG-CD2 4.42Å
349Q98.2Very high92.2Very high69 Ų6962.7 Ų62.732%0.32237%0.372SS..EExtended strand (participates in β ladder)trans-71.1137.1157.7-68.5-174.2-1.200109.2E330 K351 E352 A353E330-Q349 HydrophobicContact CG-CG 3.81Å; Q349-K351 PolarHBondContact O-N 3.3Å; Q349-E352 HydrophobicContact CB-CB 4.46Å; Q349-E352 WeakPolarHBondContact O-CB 3.42Å; Q349-E352 PolarHBondContact O-N 2.92Å; Q349-A353 PolarHBondContact O-N 3.02Å
350L97.9Very high92.6Very high0 Ų063.9 Ų63.90%038%0.38CS..Hα-helixtrans-57-37.4-178-78.9168.9000113.7F323 V326 Q327 Y329 I331 E352 A353 V354 I359 G365 A369F323-L350 HydrophobicContact CE2-CB 4.01Å; F323-L350 HydrophobicContact CZ-CB 4.1Å; V326-L350 HydrophobicContact CB-CD1 4.27Å; V326-L350 HydrophobicContact CG2-CD1 4.13Å; V326-L350 WeakPolarHBondContact O-CD1 3.45Å; Q327-L350 PolarHBondContact O-N 3.33Å; Y329-L350 PolarHBondContact O-N 2.81Å; Y329-L350 VanDerWaalsContact O-N 3.14Å; I331-L350 HydrophobicContact CD1-CD2 3.51Å; I331-L350 HydrophobicContact CD1-CG 4.31Å; I331-L350 HydrophobicContact CG1-CD2 4.09Å; I331-L350 HydrophobicContact CG1-CG 4.44Å; L350-E352 VanDerWaalsContact C-N 3.31Å; L350-E352 PolarHBondContact O-N 3.27Å; L350-A353 PolarHBondContact O-N 3.07Å; L350-V354 WeakPolarHBondContact O-CB 3.45Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.21Å; L350-V354 PolarHBondContact O-N 3.34Å; L350-I359 HydrophobicContact CD2-CD1 3.75Å; L350-G365 WeakPolarHBondContact CD1-O 3.42Å; L350-G365 WeakPolarHBondContact CD2-O 3.36Å; L350-A369 HydrophobicContact CD1-CB 3.23Å
351K98.1Very high93.4Very high101 Ų10159.8 Ų59.844%0.43936%0.358SS..Hα-helixtrans-58-44.9175-176.3177.3-177.2170.20112Q327 F328 Q349 S355Q327-K351 HydrophobicContact CB-CB 4.16Å; Q327-K351 VanDerWaalsContact O-CB 3.24Å; Q327-K351 WeakPolarHBondContact O-CB 3.5Å; Q327-K351 PolarHBondContact O-N 3.36Å; F328-K351 HydrophobicContact CE1-CD 4.05Å; Q349-K351 PolarHBondContact O-N 3.3Å; K351-S355 VanDerWaalsContact O-CB 3.23Å; K351-S355 WeakPolarHBondContact O-CB 3.38Å; K351-S355 PolarHBondContact O-N 3.3Å; K351-S355 PolarHBondContact O-OG 3.45Å; K351-S355 VanDerWaalsContact O-OG 3.09Å
352E98.1Very high94.3Very high97 Ų9758.1 Ų58.145%0.45334%0.34SS..Hα-helixtrans-66.5-50.1179-178.1-177.3173.200110.3Y348 Q349 L350 V354 S355 T356Y348-E352 HydrophobicContact CD1-CG 4.42Å; Q349-E352 HydrophobicContact CB-CB 4.46Å; Q349-E352 WeakPolarHBondContact O-CB 3.42Å; Q349-E352 PolarHBondContact O-N 2.92Å; L350-E352 VanDerWaalsContact C-N 3.31Å; L350-E352 PolarHBondContact O-N 3.27Å; E352-V354 VanDerWaalsContact C-N 3.28Å; E352-V354 PolarHBondContact O-N 2.96Å; E352-S355 WeakPolarHBondContact CA-OG 3.23Å; E352-S355 PolarHBondContact O-N 2.88Å; E352-S355 PolarHBondContact O-OG 3.17Å; E352-T356 HydrophobicContact CG-CG2 4.37Å; E352-T356 WeakPolarHBondContact O-CB 3.26Å; E352-T356 WeakPolarHBondContact O-CG2 3.49Å; E352-T356 PolarHBondContact O-N 3.09Å; E352-T356 PolarHBondContact O-OG1 3.38Å
353A98Very high95.4Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-58.5-38.7179.400000112.6L333 Q349 L350 T356 G357 L358 I359L333-A353 HydrophobicContact CD1-CB 4.01Å; Q349-A353 PolarHBondContact O-N 3.02Å; L350-A353 PolarHBondContact O-N 3.07Å; A353-T356 PolarHBondContact O-OG1 2.94Å; A353-G357 PolarHBondContact O-N 3.1Å; A353-L358 HydrophobicContact CB-CD2 4.45Å; A353-L358 WeakPolarHBondContact O-CB 3.3Å; A353-L358 PolarHBondContact O-N 3.29Å; A353-I359 HydrophobicContact CB-CB 4.46Å; A353-I359 HydrophobicContact CB-CD1 3.71Å; A353-I359 HydrophobicContact CB-CG1 4Å; A353-I359 PolarHBondContact O-N 3.42Å
354V98Very high96.4Very high29 Ų2953.6 Ų53.618%0.17629%0.293CS..Hα-helixtrans-72.6-44.4175.1174.60000111.8F323 L350 E352 T356 G357 I359 E362F323-V354 HydrophobicContact CE2-CG2 4.14Å; F323-V354 HydrophobicContact CZ-CB 4.25Å; F323-V354 HydrophobicContact CZ-CG2 3.79Å; L350-V354 WeakPolarHBondContact O-CB 3.45Å; L350-V354 VanDerWaalsContact O-CG2 3.31Å; L350-V354 WeakPolarHBondContact O-CG2 3.21Å; L350-V354 PolarHBondContact O-N 3.34Å; E352-V354 VanDerWaalsContact C-N 3.28Å; E352-V354 PolarHBondContact O-N 2.96Å; V354-T356 VanDerWaalsContact C-N 3.27Å; V354-T356 PolarHBondContact O-N 3.4Å; V354-G357 PolarHBondContact O-N 2.86Å; V354-G357 VanDerWaalsContact O-N 3.09Å; V354-I359 WeakPolarHBondContact CA-O 3.39Å; V354-I359 HydrophobicContact CG2-CB 4.07Å; V354-I359 HydrophobicContact CG2-CG2 4.04Å; V354-E362 HydrophobicContact CG1-CG 4.18Å
355S97.3Very high96.9Very high94 Ų9447.4 Ų47.466%0.65726%0.264SS*.Hα-helixtrans-65.2-29.2-17968.50000114.2K351 E352 G357K351-S355 VanDerWaalsContact O-CB 3.23Å; K351-S355 WeakPolarHBondContact O-CB 3.38Å; K351-S355 PolarHBondContact O-N 3.3Å; K351-S355 PolarHBondContact O-OG 3.45Å; K351-S355 VanDerWaalsContact O-OG 3.09Å; E352-S355 WeakPolarHBondContact CA-OG 3.23Å; E352-S355 PolarHBondContact O-N 2.88Å; E352-S355 PolarHBondContact O-OG 3.17Å; S355-G357 VanDerWaalsContact C-N 3.31Å
356T96.5Very high97.2Very high92 Ų9244.9 Ų44.956%0.56425%0.248SC*.THydrogen-bonded Turntrans-84.9-7.8177.153.50000112.5E352 A353 V354 L358E352-T356 HydrophobicContact CG-CG2 4.37Å; E352-T356 WeakPolarHBondContact O-CB 3.26Å; E352-T356 WeakPolarHBondContact O-CG2 3.49Å; E352-T356 PolarHBondContact O-N 3.09Å; E352-T356 PolarHBondContact O-OG1 3.38Å; A353-T356 PolarHBondContact O-OG1 2.94Å; V354-T356 VanDerWaalsContact C-N 3.27Å; V354-T356 PolarHBondContact O-N 3.4Å; T356-L358 VanDerWaalsContact C-N 3.26Å; T356-L358 PolarHBondContact O-N 3.23Å
357G95.5Very high97.4Very high52 Ų5240 Ų4054%0.53623%0.226SC..THydrogen-bonded Turntrans7510.1-175.900000114.3A353 V354 S355A353-G357 PolarHBondContact O-N 3.1Å; V354-G357 PolarHBondContact O-N 2.86Å; V354-G357 VanDerWaalsContact O-N 3.09Å; S355-G357 VanDerWaalsContact C-N 3.31Å
358L95.7Very high97.6Very high31 Ų3135.6 Ų35.616%0.16220%0.199CC..SBendtrans-63.7-45.3173.3173.660.5000110.9L333 Y348 A353 T356 Q389 W403L333-L358 HydrophobicContact CD1-CD2 3.64Å; L333-L358 HydrophobicContact CD1-CG 4.35Å; Y348-L358 HydrophobicContact CD2-CD2 4.13Å; Y348-L358 HydrophobicContact CE1-CD2 4.31Å; Y348-L358 HydrophobicContact CE2-CD2 3.86Å; Y348-L358 HydrophobicContact CG-CD2 4.42Å; A353-L358 HydrophobicContact CB-CD2 4.45Å; A353-L358 WeakPolarHBondContact O-CB 3.3Å; A353-L358 PolarHBondContact O-N 3.29Å; T356-L358 VanDerWaalsContact C-N 3.26Å; T356-L358 PolarHBondContact O-N 3.23Å; L358-Q389 PolarHBondContact O-NE2 2.86Å; L358-W403 HydrophobicContact CD1-CH2 3.99Å; L358-W403 HydrophobicContact CD1-CZ2 4.06Å; L358-W403 HydrophobicContact CG-CH2 4.18Å; L358-W403 HydrophobicContact CG-CZ2 4.16Å
359I97.6Very high97.6Very high0 Ų033.5 Ų33.50%019%0.191CC..SBendtrans-102.1123.5165.4-63.6171.6000106.4I331 L333 L350 A353 V354 N361 L364 M368 W403I331-I359 HydrophobicContact CD1-CD1 4.33Å; L333-I359 HydrophobicContact CD1-CD1 4.08Å; L333-I359 HydrophobicContact CD1-CG1 4.39Å; L350-I359 HydrophobicContact CD2-CD1 3.75Å; A353-I359 HydrophobicContact CB-CB 4.46Å; A353-I359 HydrophobicContact CB-CD1 3.71Å; A353-I359 HydrophobicContact CB-CG1 4Å; A353-I359 PolarHBondContact O-N 3.42Å; V354-I359 WeakPolarHBondContact CA-O 3.39Å; V354-I359 HydrophobicContact CG2-CB 4.07Å; V354-I359 HydrophobicContact CG2-CG2 4.04Å; I359-N361 VanDerWaalsContact C-N 3.32Å; I359-N361 PolarHBondContact O-N 2.89Å; I359-L364 HydrophobicContact CG2-CB 4.09Å; I359-L364 HydrophobicContact CG2-CD2 4.01Å; I359-L364 HydrophobicContact CG2-CG 4.02Å; I359-M368 HydrophobicContact CD1-CE 3.91Å; I359-M368 HydrophobicContact CD1-SD 3.59Å; I359-M368 VanDerWaalsContact CD1-SD 3.59Å; I359-M368 HydrophobicContact CG1-CE 4.27Å; I359-M368 HydrophobicContact CG1-SD 3.88Å; I359-M368 HydrophobicContact CG2-SD 4.12Å; I359-W403 HydrophobicContact CG1-CZ2 4.17Å
360N95.1Very high97.6Very high59 Ų5931.8 Ų31.832%0.31618%0.181SC..  trans-70.6-20.3-164.173.1-7.4000115.6L364 T400 D401 D421N360-L364 VanDerWaalsContact OD1-CD2 3.29Å; N360-L364 WeakPolarHBondContact OD1-CD2 3.49Å; N360-T400 PolarHBondContact ND2-OG1 3.39Å; N360-D401 HydrophobicContact CB-CB 3.94Å; N360-D401 VanDerWaalsContact CG-CB 3.42Å; N360-D401 PolarHBondContact N-OD2 3.04Å; N360-D401 VanDerWaalsContact N-OD2 3.1Å; N360-D401 VanDerWaalsContact ND2-CB 3.27Å; N360-D401 WeakPolarHBondContact ND2-CB 3.4Å; N360-D421 PolarHBondContact ND2-OD2 3.45Å
361N97.3Very high97.7Very high14 Ų1431.8 Ų31.88%0.07518%0.181CC..  trans-157.3164.5179.372.678.9000114.1K318 I359 T363 L364 G365 D421K318-N361 HydrophobicContact CB-CB 3.71Å; K318-N361 HydrophobicContact CD-CB 4.3Å; K318-N361 PolarHBondContact O-OD1 2.87Å; I359-N361 VanDerWaalsContact C-N 3.32Å; I359-N361 PolarHBondContact O-N 2.89Å; N361-T363 PolarHBondContact O-N 2.94Å; N361-T363 WeakPolarHBondContact OD1-CA 2.92Å; N361-T363 VanDerWaalsContact OD1-CB 3.29Å; N361-T363 WeakPolarHBondContact OD1-CB 3.31Å; N361-T363 PolarHBondContact OD1-N 3.03Å; N361-L364 PolarHBondContact O-N 3.21Å; N361-L364 PolarHBondContact OD1-N 3.33Å; N361-G365 PolarHBondContact O-N 3.2Å; N361-G365 VanDerWaalsContact O-N 3.09Å; N361-D421 PolarHBondContact ND2-OD2 2.69Å
362E98Very high97.7Very high60 Ų6027.6 Ų27.628%0.2816%0.163SC..Hα-helixtrans-64.9-34.4-178.8-65.1-172.2164.600113.7Q319 H320 F323 V354 G365 Y366Q319-E362 WeakPolarHBondContact CA-OE2 3.36Å; Q319-E362 WeakPolarHBondContact CB-OE2 2.83Å; H320-E362 PolarHBondContact N-OE2 2.9Å; F323-E362 HydrophobicContact CB-CB 4.02Å; F323-E362 HydrophobicContact CD1-CB 3.93Å; F323-E362 HydrophobicContact CD1-CG 3.64Å; F323-E362 HydrophobicContact CD2-CB 3.99Å; F323-E362 WeakPolarHBondContact CD2-O 3.41Å; F323-E362 HydrophobicContact CE1-CB 4.4Å; F323-E362 HydrophobicContact CE1-CG 3.91Å; F323-E362 HydrophobicContact CE2-CB 4.44Å; F323-E362 HydrophobicContact CG-CB 3.71Å; F323-E362 HydrophobicContact CG-CG 3.98Å; F323-E362 HydrophobicContact CZ-CG 4.45Å; V354-E362 HydrophobicContact CG1-CG 4.18Å; E362-G365 PolarHBondContact O-N 3.41Å; E362-Y366 VanDerWaalsContact O-CB 3.27Å; E362-Y366 WeakPolarHBondContact O-CB 3.4Å; E362-Y366 PolarHBondContact O-N 2.89Å
363T98Very high97.7Very high0 Ų024.9 Ų24.90%015%0.15CC..Hα-helixtrans-68.9-43.1-179.6-53.20000111.2V313 K318 N361 Y366 Y367 I533V313-T363 HydrophobicContact CG1-CG2 4.36Å; K318-T363 PolarHBondContact O-N 3.26Å; K318-T363 PolarHBondContact O-OG1 3.33Å; N361-T363 PolarHBondContact O-N 2.94Å; N361-T363 WeakPolarHBondContact OD1-CA 2.92Å; N361-T363 VanDerWaalsContact OD1-CB 3.29Å; N361-T363 WeakPolarHBondContact OD1-CB 3.31Å; N361-T363 PolarHBondContact OD1-N 3.03Å; T363-Y366 WeakPolarHBondContact O-CB 3.28Å; T363-Y366 PolarHBondContact O-N 3.14Å; T363-Y367 HydrophobicContact CG2-CD2 4.05Å; T363-Y367 HydrophobicContact CG2-CE2 3.97Å; T363-Y367 WeakPolarHBondContact O-CD2 3.22Å; T363-Y367 PolarHBondContact O-N 3.15Å; T363-I533 HydrophobicContact CG2-CB 4.24Å; T363-I533 HydrophobicContact CG2-CG1 3.63Å
364L98.1Very high97.7Very high0 Ų024.9 Ų24.90%015%0.15CC..Hα-helixtrans-61-49172.7-175.763.5000110.7I359 N360 N361 Y366 Y367 M368 D401 I419 D421 I533I359-L364 HydrophobicContact CG2-CB 4.09Å; I359-L364 HydrophobicContact CG2-CD2 4.01Å; I359-L364 HydrophobicContact CG2-CG 4.02Å; N360-L364 VanDerWaalsContact OD1-CD2 3.29Å; N360-L364 WeakPolarHBondContact OD1-CD2 3.49Å; N361-L364 PolarHBondContact O-N 3.21Å; N361-L364 PolarHBondContact OD1-N 3.33Å; L364-Y366 VanDerWaalsContact C-N 3.31Å; L364-Y366 PolarHBondContact O-N 2.9Å; L364-Y367 PolarHBondContact O-N 2.84Å; L364-M368 HydrophobicContact CG-SD 4.2Å; L364-M368 WeakPolarHBondContact O-CG 3.11Å; L364-M368 PolarHBondContact O-N 3.48Å; L364-D401 HydrophobicContact CD2-CB 3.74Å; L364-D401 VanDerWaalsContact CD2-OD2 3.22Å; L364-D401 WeakPolarHBondContact CD2-OD2 3.49Å; L364-I419 HydrophobicContact CD1-CB 4.48Å; L364-I419 HydrophobicContact CD1-CG2 3.57Å; L364-D421 HydrophobicContact CD2-CB 4.28Å; L364-I533 HydrophobicContact CB-CD1 4.43Å; L364-I533 HydrophobicContact CD1-CG2 4.11Å
365G98.3Very high97.7Very high0 Ų023.5 Ų23.50%014%0.142CC..Hα-helixtrans-59.6-39.4176.900000113.3L350 N361 E362 M368 A369L350-G365 WeakPolarHBondContact CD1-O 3.42Å; L350-G365 WeakPolarHBondContact CD2-O 3.36Å; N361-G365 PolarHBondContact O-N 3.2Å; N361-G365 VanDerWaalsContact O-N 3.09Å; E362-G365 PolarHBondContact O-N 3.41Å; G365-M368 PolarHBondContact O-N 3.25Å; G365-A369 PolarHBondContact O-N 3.46Å
366Y98.6Very high97.8Very high5 Ų521.5 Ų21.52%0.0212%0.124CC..Hα-helixtrans-58.5-52.5173.8175.1-98.8000111.2D135 H320 K322 V326 E362 T363 L364 M368 A369 R370D135-Y366 PolarHBondContact OD1-OH 3.45Å; D135-Y366 PolarHBondContact OD2-OH 3.39Å; H320-Y366 HydrophobicContact CB-CG 4.47Å; H320-Y366 AromaticContact CE1-CD1 3.33Å; H320-Y366 WeakPolarHBondContact CE1-CD1 2.97Å; H320-Y366 AromaticContact CE1-CD2 3.93Å; H320-Y366 AromaticContact CE1-CE1 3.23Å; H320-Y366 WeakPolarHBondContact CE1-CE1 3.35Å; H320-Y366 AromaticContact CE1-CE2 3.85Å; H320-Y366 AromaticContact CE1-CG 3.71Å; H320-Y366 AromaticContact CE1-CZ 3.52Å; H320-Y366 AromaticContact CG-CD1 3.94Å; H320-Y366 AromaticContact CG-CG 3.85Å; H320-Y366 AromaticContact ND1-CD1 3.5Å; H320-Y366 WeakPolarHBondContact ND1-CD1 2.91Å; H320-Y366 AromaticContact ND1-CD2 3.52Å; H320-Y366 AromaticContact ND1-CE1 3.8Å; H320-Y366 AromaticContact ND1-CE2 3.83Å; H320-Y366 AromaticContact ND1-CG 3.36Å; H320-Y366 AromaticContact ND1-CZ 3.97Å; H320-Y366 AromaticContact NE2-CD1 3.71Å; H320-Y366 AromaticContact NE2-CE1 3.76Å; K322-Y366 HydrophobicContact CB-CD2 4.22Å; K322-Y366 HydrophobicContact CB-CE2 3.59Å; K322-Y366 HydrophobicContact CD-CE2 4.49Å; V326-Y366 HydrophobicContact CG1-CE2 4.49Å; V326-Y366 HydrophobicContact CG2-CD2 3.71Å; V326-Y366 HydrophobicContact CG2-CE2 4.4Å; E362-Y366 VanDerWaalsContact O-CB 3.27Å; E362-Y366 WeakPolarHBondContact O-CB 3.4Å; E362-Y366 PolarHBondContact O-N 2.89Å; T363-Y366 WeakPolarHBondContact O-CB 3.28Å; T363-Y366 PolarHBondContact O-N 3.14Å; L364-Y366 VanDerWaalsContact C-N 3.31Å; L364-Y366 PolarHBondContact O-N 2.9Å; Y366-M368 VanDerWaalsContact C-N 3.35Å; Y366-M368 PolarHBondContact O-N 2.95Å; Y366-A369 WeakPolarHBondContact O-CB 3.22Å; Y366-A369 PolarHBondContact O-N 3.27Å; Y366-A369 VanDerWaalsContact O-N 3.15Å; Y366-R370 HydrophobicContact CD1-CG 4.15Å; Y366-R370 HydrophobicContact CD2-CG 4.49Å; Y366-R370 HydrophobicContact CE1-CG 3.65Å; Y366-R370 HydrophobicContact CE2-CG 4.03Å; Y366-R370 WeakPolarHBondContact O-CG 3.23Å; Y366-R370 PolarHBondContact O-N 3.4Å
367Y98.5Very high97.7Very high0 Ų020.3 Ų20.30%011%0.113CC..Hα-helixtrans-65.8-35.1-179.7-82-64.2000113M137 V309 H311 T363 L364 A369 R370 V371 I533 P535M137-Y367 HydrophobicContact CE-CE1 3.74Å; M137-Y367 WeakPolarHBondContact CE-OH 3.41Å; V309-Y367 HydrophobicContact CG1-CE1 4.23Å; H311-Y367 HydrophobicContact CB-CE2 3.57Å; H311-Y367 AromaticContact CG-CE2 3.55Å; H311-Y367 AromaticContact CG-CZ 3.97Å; H311-Y367 AromaticContact ND1-CE2 3.54Å; H311-Y367 AromaticContact ND1-CZ 3.6Å; H311-Y367 PolarHBondContact ND1-OH 2.8Å; T363-Y367 HydrophobicContact CG2-CD2 4.05Å; T363-Y367 HydrophobicContact CG2-CE2 3.97Å; T363-Y367 WeakPolarHBondContact O-CD2 3.22Å; T363-Y367 PolarHBondContact O-N 3.15Å; L364-Y367 PolarHBondContact O-N 2.84Å; Y367-A369 VanDerWaalsContact C-N 3.33Å; Y367-A369 PolarHBondContact O-N 2.92Å; Y367-R370 PolarHBondContact O-N 3.03Å; Y367-V371 WeakPolarHBondContact O-CB 3.35Å; Y367-V371 WeakPolarHBondContact O-CG2 3.02Å; Y367-V371 PolarHBondContact O-N 3.12Å; Y367-I533 HydrophobicContact CD2-CB 4.36Å; Y367-I533 HydrophobicContact CD2-CG2 3.78Å; Y367-I533 HydrophobicContact CG-CG2 4.48Å; Y367-P535 HydrophobicContact CD1-CG 3.71Å; Y367-P535 HydrophobicContact CD2-CG 4.34Å; Y367-P535 HydrophobicContact CE1-CG 4.4Å; Y367-P535 HydrophobicContact CG-CG 3.69Å
368M98.7Very high97.8Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-59.5-43.1171.5-69.1174.475.700111.7I331 L333 I359 L364 G365 Y366 R370 V371 H372 F387 W403 I419I331-M368 HydrophobicContact CD1-CB 3.93Å; I331-M368 HydrophobicContact CD1-CE 3.98Å; L333-M368 HydrophobicContact CD2-CE 3.58Å; I359-M368 HydrophobicContact CD1-CE 3.91Å; I359-M368 HydrophobicContact CD1-SD 3.59Å; I359-M368 VanDerWaalsContact CD1-SD 3.59Å; I359-M368 HydrophobicContact CG1-CE 4.27Å; I359-M368 HydrophobicContact CG1-SD 3.88Å; I359-M368 HydrophobicContact CG2-SD 4.12Å; L364-M368 HydrophobicContact CG-SD 4.2Å; L364-M368 WeakPolarHBondContact O-CG 3.11Å; L364-M368 PolarHBondContact O-N 3.48Å; G365-M368 PolarHBondContact O-N 3.25Å; Y366-M368 VanDerWaalsContact C-N 3.35Å; Y366-M368 PolarHBondContact O-N 2.95Å; M368-R370 PolarHBondContact O-N 2.84Å; M368-V371 PolarHBondContact O-N 3.4Å; M368-H372 WeakPolarHBondContact O-CB 3.13Å; M368-H372 PolarHBondContact O-N 2.84Å; M368-F387 HydrophobicContact CB-CE1 4.35Å; M368-F387 HydrophobicContact CE-CB 3.98Å; M368-F387 HydrophobicContact CE-CD1 3.93Å; M368-F387 HydrophobicContact CE-CG 4.07Å; M368-F387 HydrophobicContact CG-CD1 4.48Å; M368-F387 WeakPolarHBondContact O-CZ 3.36Å; M368-W403 HydrophobicContact CE-CB 4.02Å; M368-W403 HydrophobicContact CE-CD2 3.47Å; M368-W403 VanDerWaalsContact CE-CD2 3.47Å; M368-W403 HydrophobicContact CE-CE3 3.78Å; M368-W403 HydrophobicContact CE-CG 3.59Å; M368-W403 HydrophobicContact CE-CZ3 4.42Å; M368-W403 HydrophobicContact SD-CB 4.48Å; M368-W403 HydrophobicContact SD-CD2 4.32Å; M368-W403 HydrophobicContact SD-CG 4Å; M368-I419 HydrophobicContact CG-CD1 3.91Å; M368-I419 HydrophobicContact CG-CG2 4.5Å
369A98.6Very high97.8Very high0 Ų017.2 Ų17.20%09%0.088CC..Hα-helixtrans-57.5-50.2173.200000111.7V326 Y329 L350 G365 Y366 Y367 V371 H372 Q373V326-A369 HydrophobicContact CB-CB 3.83Å; V326-A369 HydrophobicContact CG1-CB 4.12Å; V326-A369 HydrophobicContact CG2-CB 3.91Å; Y329-A369 HydrophobicContact CD1-CB 4.07Å; L350-A369 HydrophobicContact CD1-CB 3.23Å; G365-A369 PolarHBondContact O-N 3.46Å; Y366-A369 WeakPolarHBondContact O-CB 3.22Å; Y366-A369 PolarHBondContact O-N 3.27Å; Y366-A369 VanDerWaalsContact O-N 3.15Å; Y367-A369 VanDerWaalsContact C-N 3.33Å; Y367-A369 PolarHBondContact O-N 2.92Å; A369-V371 VanDerWaalsContact C-N 3.35Å; A369-V371 PolarHBondContact O-N 2.81Å; A369-H372 PolarHBondContact O-N 3.27Å; A369-Q373 VanDerWaalsContact O-CG 3.29Å; A369-Q373 WeakPolarHBondContact O-CG 3.38Å; A369-Q373 PolarHBondContact O-N 3.41Å
370R98.3Very high97.9Very high33 Ų3317.3 Ų17.313%0.1259%0.089CC..Hα-helixtrans-64.8-40.4-177.5-63-59-67.1161.8-7.1111.1H130 F131 Y366 Y367 M368 Q373 F374H130-R370 PolarHBondContact CE1-NH1 2.92Å; H130-R370 VanDerWaalsContact CE1-NH1 3.27Å; H130-R370 PolarHBondContact CE1-NH2 2.83Å; H130-R370 PolarHBondContact ND1-NH2 3.39Å; H130-R370 VanDerWaalsContact ND1-NH2 3.11Å; H130-R370 PolarHBondContact NE2-O 3.05Å; H130-R370 PolarHBondContact O-NH2 2.97Å; F131-R370 HydrophobicContact CD1-CB 4.36Å; F131-R370 HydrophobicContact CE1-CB 3.62Å; F131-R370 HydrophobicContact CZ-CB 4.36Å; Y366-R370 HydrophobicContact CD1-CG 4.15Å; Y366-R370 HydrophobicContact CD2-CG 4.49Å; Y366-R370 HydrophobicContact CE1-CG 3.65Å; Y366-R370 HydrophobicContact CE2-CG 4.03Å; Y366-R370 WeakPolarHBondContact O-CG 3.23Å; Y366-R370 PolarHBondContact O-N 3.4Å; Y367-R370 PolarHBondContact O-N 3.03Å; M368-R370 PolarHBondContact O-N 2.84Å; R370-Q373 PolarHBondContact O-N 3.38Å; R370-F374 WeakPolarHBondContact O-CB 3.25Å; R370-F374 PolarHBondContact O-N 2.93Å
371V98.8Very high97.8Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-60.8-48.5173.7171.10000110.6F131 Y367 M368 A369 Q373 F374 L375 F387 A405 V417 I419 P535 F537F131-V371 HydrophobicContact CZ-CG2 4.31Å; Y367-V371 WeakPolarHBondContact O-CB 3.35Å; Y367-V371 WeakPolarHBondContact O-CG2 3.02Å; Y367-V371 PolarHBondContact O-N 3.12Å; M368-V371 PolarHBondContact O-N 3.4Å; A369-V371 VanDerWaalsContact C-N 3.35Å; A369-V371 PolarHBondContact O-N 2.81Å; V371-Q373 PolarHBondContact O-N 2.9Å; V371-F374 PolarHBondContact O-N 2.8Å; V371-L375 HydrophobicContact CG1-CD1 3.87Å; V371-L375 HydrophobicContact CG1-CG 4.32Å; V371-L375 WeakPolarHBondContact O-CG 3.41Å; V371-L375 PolarHBondContact O-N 3.49Å; V371-F387 HydrophobicContact CB-CE1 4.27Å; V371-F387 HydrophobicContact CB-CZ 4.3Å; V371-F387 HydrophobicContact CG1-CE1 3.95Å; V371-F387 HydrophobicContact CG1-CZ 4.01Å; V371-A405 HydrophobicContact CG1-CB 3.92Å; V371-V417 HydrophobicContact CG1-CB 4.06Å; V371-V417 HydrophobicContact CG1-CG1 4.01Å; V371-V417 HydrophobicContact CG1-CG2 3.99Å; V371-V417 HydrophobicContact CG2-CG1 4.15Å; V371-I419 HydrophobicContact CB-CD1 4Å; V371-I419 HydrophobicContact CG1-CD1 4.11Å; V371-I419 HydrophobicContact CG2-CD1 3.76Å; V371-I419 HydrophobicContact CG2-CG1 4.23Å; V371-P535 HydrophobicContact CG2-CB 4.47Å; V371-F537 HydrophobicContact CG1-CE1 4.31Å; V371-F537 HydrophobicContact CG2-CE1 3.94Å; V371-F537 HydrophobicContact CG2-CZ 3.57Å
372H98.7Very high97.7Very high13 Ų1319.2 Ų19.26%0.0610%0.103CC..Hα-helixtrans-58.3-50178.5-173.7-110.3000111.1Y329 I331 P332 M368 A369 F374 L375 L376 L385 F387Y329-H372 HydrophobicContact CE1-CB 4.15Å; Y329-H372 AromaticContact CE1-ND1 3.3Å; Y329-H372 VanDerWaalsContact CE1-ND1 3.3Å; Y329-H372 WeakPolarHBondContact CE1-ND1 3.37Å; Y329-H372 AromaticContact CZ-ND1 3.44Å; Y329-H372 PolarHBondContact OH-ND1 2.94Å; I331-H372 HydrophobicContact CG2-CB 3.87Å; P332-H372 WeakPolarHBondContact CD-NE2 3.4Å; M368-H372 WeakPolarHBondContact O-CB 3.13Å; M368-H372 PolarHBondContact O-N 2.84Å; A369-H372 PolarHBondContact O-N 3.27Å; H372-F374 VanDerWaalsContact C-N 3.33Å; H372-F374 PolarHBondContact O-N 3.43Å; H372-L375 PolarHBondContact O-N 3.15Å; H372-L376 WeakPolarHBondContact O-CG 3.21Å; H372-L376 PolarHBondContact O-N 2.68Å; H372-L385 WeakPolarHBondContact CD2-CD2 3.29Å; H372-F387 HydrophobicContact CB-CE2 3.72Å; H372-F387 HydrophobicContact CB-CZ 3.75Å; H372-F387 AromaticContact CD2-CE2 3.7Å
373Q98Very high97.4Very high40 Ų4021.1 Ų21.119%0.18711%0.11CC..Hα-helixtrans-56.9-44.6177.1-71.4171.3-12.400112.2Y329 A369 R370 V371 L376 M377Y329-Q373 HydrophobicContact CE1-CG 3.92Å; Y329-Q373 HydrophobicContact CE2-CG 4.05Å; Y329-Q373 WeakPolarHBondContact OH-CG 3.33Å; A369-Q373 VanDerWaalsContact O-CG 3.29Å; A369-Q373 WeakPolarHBondContact O-CG 3.38Å; A369-Q373 PolarHBondContact O-N 3.41Å; R370-Q373 PolarHBondContact O-N 3.38Å; V371-Q373 PolarHBondContact O-N 2.9Å; Q373-L376 PolarHBondContact O-N 2.93Å; Q373-M377 HydrophobicContact CB-CE 4.39Å; Q373-M377 WeakPolarHBondContact O-CE 3.4Å; Q373-M377 WeakPolarHBondContact O-CG 3.35Å; Q373-M377 PolarHBondContact O-N 3.32Å
374F98.5Very high97.3Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-61.6-48.1177.6171-105000112I123 L126 W127 H130 F131 R370 V371 H372 L376 M377 V378 F537 I542I123-F374 HydrophobicContact CG2-CZ 4.09Å; L126-F374 HydrophobicContact CB-CE2 4.49Å; L126-F374 HydrophobicContact CD2-CE2 4.46Å; L126-F374 HydrophobicContact CG-CD2 4.38Å; L126-F374 HydrophobicContact CG-CE2 4.16Å; W127-F374 HydrophobicContact CB-CE2 3.7Å; W127-F374 HydrophobicContact CB-CZ 3.86Å; W127-F374 AromaticContact CD1-CE1 3.82Å; W127-F374 AromaticContact CD1-CE2 3.98Å; W127-F374 AromaticContact CD1-CZ 3.65Å; W127-F374 HydrophobicContact CG-CE2 4.25Å; W127-F374 HydrophobicContact CG-CZ 4.18Å; H130-F374 HydrophobicContact CB-CD2 4.43Å; F131-F374 HydrophobicContact CE2-CB 3.88Å; F131-F374 HydrophobicContact CE2-CD1 4.21Å; F131-F374 HydrophobicContact CE2-CD2 4.15Å; F131-F374 AromaticContact CE2-CG 3.8Å; F131-F374 HydrophobicContact CE2-CG 3.8Å; F131-F374 HydrophobicContact CZ-CB 3.95Å; F131-F374 HydrophobicContact CZ-CG 4.33Å; R370-F374 WeakPolarHBondContact O-CB 3.25Å; R370-F374 PolarHBondContact O-N 2.93Å; V371-F374 PolarHBondContact O-N 2.8Å; H372-F374 VanDerWaalsContact C-N 3.33Å; H372-F374 PolarHBondContact O-N 3.43Å; F374-L376 VanDerWaalsContact C-N 3.3Å; F374-L376 PolarHBondContact O-N 2.91Å; F374-M377 PolarHBondContact O-N 2.91Å; F374-M377 VanDerWaalsContact O-N 3.11Å; F374-V378 HydrophobicContact CD2-CG1 4.17Å; F374-V378 HydrophobicContact CE1-CG1 4.13Å; F374-V378 HydrophobicContact CE2-CG1 3.58Å; F374-V378 HydrophobicContact CZ-CG1 3.57Å; F374-V378 PolarHBondContact O-N 2.92Å; F374-F537 HydrophobicContact CD1-CD1 4.23Å; F374-F537 AromaticContact CD1-CE1 3.9Å; F374-F537 HydrophobicContact CD1-CE1 3.9Å; F374-F537 HydrophobicContact CE1-CD1 4.15Å; F374-F537 HydrophobicContact CE1-CE1 4.26Å; F374-I542 HydrophobicContact CE1-CD1 4.19Å
375L98.7Very high97.3Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-60.1-41179.5-69.7175.3000111.4V371 H372 V378 G379 V380 L385 A405 V417 I542V371-L375 HydrophobicContact CG1-CD1 3.87Å; V371-L375 HydrophobicContact CG1-CG 4.32Å; V371-L375 WeakPolarHBondContact O-CG 3.41Å; V371-L375 PolarHBondContact O-N 3.49Å; H372-L375 PolarHBondContact O-N 3.15Å; L375-V378 WeakPolarHBondContact O-CG2 3.46Å; L375-V378 PolarHBondContact O-N 2.79Å; L375-G379 PolarHBondContact O-N 3.06Å; L375-V380 HydrophobicContact CB-CB 4.18Å; L375-V380 HydrophobicContact CB-CG2 4.02Å; L375-V380 HydrophobicContact CD2-CG2 4.18Å; L375-V380 WeakPolarHBondContact O-CB 3.2Å; L375-V380 WeakPolarHBondContact O-CG2 3.36Å; L375-V380 PolarHBondContact O-N 3.43Å; L375-L385 HydrophobicContact CB-CD2 3.84Å; L375-L385 HydrophobicContact CD1-CD1 3.64Å; L375-L385 HydrophobicContact CD1-CD2 4.13Å; L375-A405 HydrophobicContact CD1-CB 3.78Å; L375-V417 HydrophobicContact CD1-CG2 4.35Å; L375-V417 HydrophobicContact CD2-CG2 4.33Å; L375-I542 HydrophobicContact CD2-CD1 4.03Å; L375-I542 HydrophobicContact CD2-CG1 4.03Å; L375-I542 HydrophobicContact CD2-CG2 4.22Å
376L97.7Very high97.2Very high52 Ų5226 Ų2627%0.27213%0.131SC..Hα-helixtrans-64.2-42.9173.5-64-170.2000112.3H372 Q373 F374 V378 G379 V380 P382 L385H372-L376 WeakPolarHBondContact O-CG 3.21Å; H372-L376 PolarHBondContact O-N 2.68Å; Q373-L376 PolarHBondContact O-N 2.93Å; F374-L376 VanDerWaalsContact C-N 3.3Å; F374-L376 PolarHBondContact O-N 2.91Å; L376-V378 PolarHBondContact O-N 2.8Å; L376-G379 PolarHBondContact O-N 3.33Å; L376-V380 WeakPolarHBondContact CD2-O 3.41Å; L376-P382 HydrophobicContact CD2-CB 3.94Å; L376-P382 HydrophobicContact CD2-CG 3.66Å; L376-L385 HydrophobicContact CD2-CD2 4.08Å
377M95.9Very high97.2Very high68 Ų6825.7 Ų25.734%0.33513%0.13SC..Hα-helixtrans-65.4-33.7179.4-78.3-171-76.700113.9L126 H130 Q373 F374 G379L126-M377 HydrophobicContact CD2-CB 4.09Å; H130-M377 WeakPolarHBondContact CE1-CE 3.18Å; H130-M377 WeakPolarHBondContact ND1-CE 3.22Å; Q373-M377 HydrophobicContact CB-CE 4.39Å; Q373-M377 WeakPolarHBondContact O-CE 3.4Å; Q373-M377 WeakPolarHBondContact O-CG 3.35Å; Q373-M377 PolarHBondContact O-N 3.32Å; F374-M377 PolarHBondContact O-N 2.91Å; F374-M377 VanDerWaalsContact O-N 3.11Å; M377-G379 PolarHBondContact O-N 3.46Å
378V97.6Very high97.1Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-75.4-12.5173.9-61.60000112.7I123 L126 F374 L375 L376 V380 I542 V546 V569I123-V378 HydrophobicContact CG1-CG1 4.45Å; I123-V378 HydrophobicContact CG2-CG1 4.32Å; L126-V378 HydrophobicContact CD2-CG1 3.82Å; F374-V378 HydrophobicContact CD2-CG1 4.17Å; F374-V378 HydrophobicContact CE1-CG1 4.13Å; F374-V378 HydrophobicContact CE2-CG1 3.58Å; F374-V378 HydrophobicContact CZ-CG1 3.57Å; F374-V378 PolarHBondContact O-N 2.92Å; L375-V378 WeakPolarHBondContact O-CG2 3.46Å; L375-V378 PolarHBondContact O-N 2.79Å; L376-V378 PolarHBondContact O-N 2.8Å; V378-V380 HydrophobicContact CG2-CG2 4.2Å; V378-I542 HydrophobicContact CG2-CG2 3.93Å; V378-V546 HydrophobicContact CB-CG2 4.26Å; V378-V546 HydrophobicContact CG2-CG2 3.79Å; V378-V546 VanDerWaalsContact O-CG1 3.25Å; V378-V546 WeakPolarHBondContact O-CG1 3.32Å; V378-V569 HydrophobicContact CB-CG1 4.07Å; V378-V569 HydrophobicContact CG1-CG1 4Å; V378-V569 WeakPolarHBondContact O-CG2 3.16Å
379G96Very high97Very high17 Ų1728.4 Ų28.418%0.17514%0.141CC..THydrogen-bonded Turntrans106.520.9174.800000115L375 L376 M377 D381L375-G379 PolarHBondContact O-N 3.06Å; L376-G379 PolarHBondContact O-N 3.33Å; M377-G379 PolarHBondContact O-N 3.46Å; G379-D381 PolarHBondContact O-N 3.5Å
380V97.6Very high96.6Very high3 Ų330.1 Ų30.12%0.01815%0.149CC..  trans-67.7126.3167.5178.30000108.7L375 L376 V378 P382 L385 V546L375-V380 HydrophobicContact CB-CB 4.18Å; L375-V380 HydrophobicContact CB-CG2 4.02Å; L375-V380 HydrophobicContact CD2-CG2 4.18Å; L375-V380 WeakPolarHBondContact O-CB 3.2Å; L375-V380 WeakPolarHBondContact O-CG2 3.36Å; L375-V380 PolarHBondContact O-N 3.43Å; L376-V380 WeakPolarHBondContact CD2-O 3.41Å; V378-V380 HydrophobicContact CG2-CG2 4.2Å; V380-P382 WeakPolarHBondContact O-CD 3.47Å; V380-L385 HydrophobicContact CG1-CB 3.95Å; V380-L385 HydrophobicContact CG1-CD1 4.42Å; V380-L385 HydrophobicContact CG1-CD2 4.18Å; V380-L385 HydrophobicContact CG1-CG 4.42Å; V380-V546 HydrophobicContact CG2-CG2 3.85Å
381D94.9Very high96.1Very high34 Ų3429.2 Ų29.218%0.18215%0.147CC..  trans-59120172.1179-8.3000111G379 K383 K384 L385 H549G379-D381 PolarHBondContact O-N 3.5Å; D381-K383 PolarHBondContact O-N 2.65Å; D381-K383 VanDerWaalsContact O-N 3.15Å; D381-K383 WeakPolarHBondContact OD1-CB 3.48Å; D381-K383 PolarHBondContact OD1-N 3.39Å; D381-K384 HydrophobicContact CB-CB 4.16Å; D381-K384 HydrophobicContact CB-CD 4.16Å; D381-K384 HydrophobicContact CB-CG 4.23Å; D381-K384 CarbonylContact O-C 3.56Å; D381-K384 WeakPolarHBondContact O-CA 3Å; D381-K384 PolarHBondContact O-N 2.86Å; D381-L385 PolarHBondContact O-N 3.02Å; D381-H549 HydrophobicContact CB-CB 4.16Å; D381-H549 PolarHBondContact N-ND1 3.2Å
382P94.3Very high95.2Very high78 Ų7834.3 Ų34.351%0.50618%0.182SC..G310 helixtrans-54.3-32.2179.3-19.924.6000114.1L376 V380 K384 L385L376-P382 HydrophobicContact CD2-CB 3.94Å; L376-P382 HydrophobicContact CD2-CG 3.66Å; V380-P382 WeakPolarHBondContact O-CD 3.47Å; P382-K384 PolarHBondContact O-N 2.95Å; P382-L385 PolarHBondContact O-N 2.96Å
383K91.8Very high94.1Very high100 Ų10036.9 Ų36.944%0.43520%0.196SC..G310 helixtrans-72.7-19.3179.7-61.4172.4179.7171.10112.6E73 E77 D381E73-K383 IonicContact OE1-NZ 3.2Å; E77-K383 IonicContact OE1-NZ 2.6Å; E77-K383 PolarHBondContact OE1-NZ 2.79Å; D381-K383 PolarHBondContact O-N 2.65Å; D381-K383 VanDerWaalsContact O-N 3.15Å; D381-K383 WeakPolarHBondContact OD1-CB 3.48Å; D381-K383 PolarHBondContact OD1-N 3.39Å
384K95.6Very high92.8Very high65 Ų6537.2 Ų37.228%0.28320%0.198SC..G310 helixtrans-108.320.6-178.7-62.1-179.7-175.9178.30111.4D381 P382 C407 H408D381-K384 HydrophobicContact CB-CB 4.16Å; D381-K384 HydrophobicContact CB-CD 4.16Å; D381-K384 HydrophobicContact CB-CG 4.23Å; D381-K384 CarbonylContact O-C 3.56Å; D381-K384 WeakPolarHBondContact O-CA 3Å; D381-K384 PolarHBondContact O-N 2.86Å; P382-K384 PolarHBondContact O-N 2.95Å; K384-C407 CarbonylContact O-C 3.59Å; K384-C407 VanDerWaalsContact O-CA 3.28Å; K384-C407 WeakPolarHBondContact O-CA 3.48Å; K384-H408 HydrophobicContact CB-CB 3.99Å; K384-H408 HydrophobicContact CG-CB 4.38Å; K384-H408 PolarHBondContact O-N 2.56Å
385L97.4Very high91.6Very high5 Ų540 Ų403%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-124133.6179179.255.8000109.9P332 H372 L375 L376 V380 D381 P382 E406P332-L385 VanDerWaalsContact CG-O 3.3Å; P332-L385 WeakPolarHBondContact CG-O 3.48Å; H372-L385 WeakPolarHBondContact CD2-CD2 3.29Å; L375-L385 HydrophobicContact CB-CD2 3.84Å; L375-L385 HydrophobicContact CD1-CD1 3.64Å; L375-L385 HydrophobicContact CD1-CD2 4.13Å; L376-L385 HydrophobicContact CD2-CD2 4.08Å; V380-L385 HydrophobicContact CG1-CB 3.95Å; V380-L385 HydrophobicContact CG1-CD1 4.42Å; V380-L385 HydrophobicContact CG1-CD2 4.18Å; V380-L385 HydrophobicContact CG1-CG 4.42Å; D381-L385 PolarHBondContact O-N 3.02Å; P382-L385 PolarHBondContact O-N 2.96Å; L385-E406 WeakPolarHBondContact CA-O 3.45Å; L385-E406 WeakPolarHBondContact CD1-O 3.46Å
386R97.1Very high90.1Very high32 Ų3241.8 Ų41.812%0.12123%0.226CC..EExtended strand (participates in β ladder)trans-145.2161.6171.772.9-175.5-176.8175.52.2110.9V345 A405 E406 W413V345-R386 HydrophobicContact CG1-CB 4.26Å; V345-R386 HydrophobicContact CG2-CB 4.19Å; R386-A405 CarbonylContact O-C 3.52Å; R386-A405 WeakPolarHBondContact O-CA 3.48Å; R386-E406 HydrophobicContact CG-CB 4.15Å; R386-E406 IonicContact CZ-OE2 2.66Å; R386-E406 PolarHBondContact N-O 3.44Å; R386-E406 VanDerWaalsContact N-O 3.11Å; R386-E406 IonicContact NE-OE2 3.54Å; R386-E406 PolarHBondContact NE-OE2 2.97Å; R386-E406 IonicContact NH2-OE2 3.6Å; R386-E406 PolarHBondContact NH2-OE2 2.79Å; R386-E406 PolarHBondContact O-N 3.11Å; R386-W413 HydrophobicContact CB-CH2 4.2Å; R386-W413 HydrophobicContact CB-CZ3 4.07Å; R386-W413 HydrophobicContact CG-CD2 4.46Å; R386-W413 HydrophobicContact CG-CE3 3.82Å; R386-W413 HydrophobicContact CG-CH2 3.92Å; R386-W413 HydrophobicContact CG-CZ3 3.52Å
387F98.5Very high88.6Confident0 Ų045.4 Ų45.40%024%0.241CC..EExtended strand (participates in β ladder)trans-108.2112.1166.8-69.7-98.8000109P332 L333 F334 M368 V371 H372 W403 D404 A405 I419P332-F387 PolarHBondContact O-N 2.94Å; L333-F387 CarbonylContact C-O 3.53Å; L333-F387 HydrophobicContact CD2-CB 3.77Å; L333-F387 HydrophobicContact CD2-CG 4.39Å; F334-F387 PolarHBondContact N-O 3.35Å; M368-F387 HydrophobicContact CB-CE1 4.35Å; M368-F387 HydrophobicContact CE-CB 3.98Å; M368-F387 HydrophobicContact CE-CD1 3.93Å; M368-F387 HydrophobicContact CE-CG 4.07Å; M368-F387 HydrophobicContact CG-CD1 4.48Å; M368-F387 WeakPolarHBondContact O-CZ 3.36Å; V371-F387 HydrophobicContact CB-CE1 4.27Å; V371-F387 HydrophobicContact CB-CZ 4.3Å; V371-F387 HydrophobicContact CG1-CE1 3.95Å; V371-F387 HydrophobicContact CG1-CZ 4.01Å; H372-F387 HydrophobicContact CB-CE2 3.72Å; H372-F387 HydrophobicContact CB-CZ 3.75Å; H372-F387 AromaticContact CD2-CE2 3.7Å; F387-W403 HydrophobicContact CB-CE3 3.83Å; F387-W403 HydrophobicContact CB-CZ3 4.36Å; F387-W403 WeakPolarHBondContact O-CZ3 3.33Å; F387-D404 CarbonylContact C-O 3.49Å; F387-D404 VanDerWaalsContact CA-O 3.24Å; F387-D404 WeakPolarHBondContact CA-O 3.47Å; F387-A405 HydrophobicContact CD1-CB 3.96Å; F387-A405 HydrophobicContact CE1-CB 3.6Å; F387-A405 HydrophobicContact CZ-CB 4.01Å; F387-I419 HydrophobicContact CD1-CD1 4.04Å; F387-I419 HydrophobicContact CE1-CD1 3.61Å
388R96.5Very high87.4Confident29 Ų2944.5 Ų44.511%0.10924%0.235CC..EExtended strand (participates in β ladder)trans-95.8125.2178-174.8-172.272.183.26.2109.7F334 E394 W403 D404 E406F334-R388 HydrophobicContact CD1-CG 4.01Å; R388-E394 IonicContact CZ-OE2 2.64Å; R388-E394 IonicContact NH1-OE1 3.93Å; R388-E394 IonicContact NH1-OE2 2.87Å; R388-E394 PolarHBondContact NH1-OE2 3.01Å; R388-E394 IonicContact NH2-OE2 3.41Å; R388-E394 PolarHBondContact NH2-OE2 3.4Å; R388-W403 CarbonylContact O-C 3.56Å; R388-W403 WeakPolarHBondContact O-CA 3.43Å; R388-D404 IonicContact CZ-OD2 3.45Å; R388-D404 PolarHBondContact N-O 3.12Å; R388-D404 IonicContact NE-OD2 2.7Å; R388-D404 IonicContact NH2-OD2 3.72Å; R388-D404 PolarHBondContact NH2-OD2 3.2Å; R388-D404 PolarHBondContact O-N 3.45Å; R388-E406 HydrophobicContact CB-CG 4.49Å; R388-E406 WeakPolarHBondContact CD-OE1 3.32Å; R388-E406 IonicContact CZ-OE1 2.84Å; R388-E406 IonicContact NE-OE1 3.75Å; R388-E406 PolarHBondContact NE-OE1 3.01Å
389Q95.9Very high86.5Confident27 Ų2745.2 Ų45.213%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-76.7140.2174.8-163.1170.72700110.2F334 A336 Q339 L358 D401 C402 W403F334-Q389 PolarHBondContact O-N 2.75Å; A336-Q389 HydrophobicContact CB-CB 4.43Å; A336-Q389 HydrophobicContact CB-CG 4.42Å; A336-Q389 VanDerWaalsContact N-OE1 3.09Å; Q339-Q389 PolarHBondContact NE2-O 2.97Å; L358-Q389 PolarHBondContact O-NE2 2.86Å; Q389-D401 PolarHBondContact NE2-OD1 3.36Å; Q389-C402 CarbonylContact C-O 3.53Å; Q389-C402 WeakPolarHBondContact CA-O 3.08Å; Q389-W403 HydrophobicContact CB-CD2 3.92Å; Q389-W403 HydrophobicContact CB-CE3 3.77Å; Q389-W403 HydrophobicContact CB-CH2 3.74Å; Q389-W403 HydrophobicContact CB-CZ2 3.85Å; Q389-W403 HydrophobicContact CB-CZ3 3.68Å; Q389-W403 VanDerWaalsContact CD-CZ2 3.45Å; Q389-W403 HydrophobicContact CG-CD2 4.08Å; Q389-W403 HydrophobicContact CG-CE3 4.43Å; Q389-W403 HydrophobicContact CG-CH2 4.18Å; Q389-W403 HydrophobicContact CG-CZ2 3.77Å; Q389-W403 HydrophobicContact CG-CZ3 4.48Å
390H90.9Very high86.1Confident37 Ų3748.2 Ų48.217%0.17126%0.256CS..PPolyproline II helixtrans-66.3143.7172.8-75.4-159.1000110.9E394 M395 C402 D404H390-E394 HydrophobicContact CB-CB 4.28Å; H390-M395 HydrophobicContact CB-CG 3.69Å; H390-C402 HydrophobicContact CB-CB 4.12Å; H390-C402 VanDerWaalsContact CE1-SG 3.54Å; H390-C402 PolarHBondContact N-O 2.57Å; H390-D404 IonicContact CD2-OD1 3.88Å; H390-D404 IonicContact CD2-OD2 3.94Å; H390-D404 PolarHBondContact CD2-OD2 3.49Å; H390-D404 IonicContact CE1-OD1 2.97Å; H390-D404 IonicContact NE2-OD1 3.38Å; H390-D404 PolarHBondContact NE2-OD1 2.86Å; H390-D404 IonicContact NE2-OD2 2.84Å; H390-D404 PolarHBondContact NE2-OD2 3.28Å
391L87.2Confident85.9Confident14 Ų1448.3 Ų48.37%0.07326%0.256CS..PPolyproline II helixtrans-75.2159169.7-61.1179.3000110.4A336 Q339 L340 N393 E394 M395A336-L391 HydrophobicContact CB-CD2 3.89Å; Q339-L391 HydrophobicContact CB-CD2 4.21Å; L340-L391 HydrophobicContact CD1-CD2 4.41Å; L340-L391 HydrophobicContact CD2-CD1 4.28Å; L340-L391 HydrophobicContact CD2-CD2 4.16Å; L340-L391 HydrophobicContact CG-CD2 4Å; L391-N393 WeakPolarHBondContact CB-OD1 3.45Å; L391-N393 PolarHBondContact O-N 3.49Å; L391-E394 HydrophobicContact CB-CG 4.17Å; L391-E394 PolarHBondContact N-OE2 2.88Å; L391-E394 WeakPolarHBondContact O-CB 3.3Å; L391-E394 PolarHBondContact O-N 3.33Å; L391-M395 WeakPolarHBondContact O-CG 3.37Å; L391-M395 PolarHBondContact O-N 3.44Å
392S80.9Confident85.9Confident106 Ų10647.1 Ų47.174%0.74125%0.25SS*.THydrogen-bonded Turntrans-63.6-23.9-176.353.60000114.5
393N74.4Confident86.1Confident67 Ų6743.4 Ų43.436%0.35823%0.226SC..THydrogen-bonded Turntrans-81.4-22172.759.9-35.5000113.3E202 L391E202-N393 PolarHBondContact O-ND2 3.08Å; L391-N393 WeakPolarHBondContact CB-OD1 3.45Å; L391-N393 PolarHBondContact O-N 3.49Å
394E72Confident86.3Confident48 Ų4839.1 Ų39.122%0.22421%0.208CC..THydrogen-bonded Turntrans-84.7-31.7176-64.7171.7-169.300111.6D205 R388 H390 L391D205-E394 HydrophobicContact CB-CG 4.34Å; R388-E394 IonicContact CZ-OE2 2.64Å; R388-E394 IonicContact NH1-OE1 3.93Å; R388-E394 IonicContact NH1-OE2 2.87Å; R388-E394 PolarHBondContact NH1-OE2 3.01Å; R388-E394 IonicContact NH2-OE2 3.41Å; R388-E394 PolarHBondContact NH2-OE2 3.4Å; H390-E394 HydrophobicContact CB-CB 4.28Å; L391-E394 HydrophobicContact CB-CG 4.17Å; L391-E394 PolarHBondContact N-OE2 2.88Å; L391-E394 WeakPolarHBondContact O-CB 3.3Å; L391-E394 PolarHBondContact O-N 3.33Å
395M72.3Confident86.5Confident59 Ų5936 Ų3629%0.29120%0.195SC..SBendtrans-64.1135.8-176-71.2-163-57.300112.7H390 L391 H397H390-M395 HydrophobicContact CB-CG 3.69Å; L391-M395 WeakPolarHBondContact O-CG 3.37Å; L391-M395 PolarHBondContact O-N 3.44Å; M395-H397 PolarHBondContact O-N 2.99Å
396A68.1Low86.5Confident37 Ų3736.5 Ų36.531%0.30620%0.196SC..  trans-60.2139.4167.400000110.5Y398 A399A396-Y398 HydrophobicContact CB-CD1 4.49Å; A396-Y398 HydrophobicContact CB-CD2 4.19Å; A396-Y398 HydrophobicContact CB-CE1 4.11Å; A396-Y398 HydrophobicContact CB-CE2 3.78Å; A396-Y398 PolarHBondContact O-N 3.05Å; A396-A399 HydrophobicContact CB-CB 4.38Å; A396-A399 WeakPolarHBondContact O-CB 3.11Å; A396-A399 PolarHBondContact O-N 2.72Å
397H65Low86.6Confident127 Ų12735 Ų3559%0.58819%0.191SC*.THydrogen-bonded Turntrans-49.1-18.7177.862.2-62.4000116.7R159 M395R159-H397 PolarHBondContact NH1-CE1 3.34Å; R159-H397 PolarHBondContact NH2-CE1 3.25Å; R159-H397 PolarHBondContact NH2-NE2 3.38Å; M395-H397 PolarHBondContact O-N 2.99Å
398Y71Confident86.4Confident50 Ų5038.5 Ų38.520%0.19621%0.207CC..THydrogen-bonded Turntrans-103.7-5.717751.5-108.8000114.7A396 R422 S423 Y425A396-Y398 HydrophobicContact CB-CD1 4.49Å; A396-Y398 HydrophobicContact CB-CD2 4.19Å; A396-Y398 HydrophobicContact CB-CE1 4.11Å; A396-Y398 HydrophobicContact CB-CE2 3.78Å; A396-Y398 PolarHBondContact O-N 3.05Å; Y398-R422 HydrophobicContact CD2-CB 4.14Å; Y398-R422 HydrophobicContact CD2-CG 4.01Å; Y398-R422 HydrophobicContact CE2-CG 4.22Å; Y398-S423 PolarHBondContact O-N 3.15Å; Y398-S423 PolarHBondContact O-OG 3.24Å; Y398-Y425 HydrophobicContact CD1-CD1 4.25Å; Y398-Y425 HydrophobicContact CD1-CD2 4.33Å; Y398-Y425 AromaticContact CD1-CG 3.92Å; Y398-Y425 HydrophobicContact CD1-CG 3.92Å; Y398-Y425 HydrophobicContact CE1-CD1 4.25Å; Y398-Y425 HydrophobicContact CE1-CG 4.39Å; Y398-Y425 HydrophobicContact CG-CG 4.49Å
399A80Confident86.3Confident14 Ų1437.2 Ų37.212%0.11620%0.203CC..EExtended strand (participates in β ladder)trans-85.3136177.600000110.3A396 D421 R422A396-A399 HydrophobicContact CB-CB 4.38Å; A396-A399 WeakPolarHBondContact O-CB 3.11Å; A396-A399 PolarHBondContact O-N 2.72Å; A399-D421 CarbonylContact C-O 3.54Å; A399-D421 WeakPolarHBondContact CA-O 3.14Å; A399-R422 HydrophobicContact CB-CG 4.15Å
400T86.5Confident86.1Confident81 Ų8138 Ų3850%0.49721%0.211SC..EExtended strand (participates in β ladder)trans-100-27.3178.940.40000112.6N360 D421N360-T400 PolarHBondContact ND2-OG1 3.39Å; T400-D421 PolarHBondContact N-O 2.75Å; T400-D421 PolarHBondContact OG1-O 3.07Å; T400-D421 VanDerWaalsContact OG1-O 3.07Å; T400-D421 PolarHBondContact OG1-OD2 2.8Å
401D93.1Very high86Confident5 Ų538.9 Ų38.93%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-160.3136.2172.6-169.49.6000108.8N360 L364 Q389 W403 A420 D421N360-D401 HydrophobicContact CB-CB 3.94Å; N360-D401 VanDerWaalsContact CG-CB 3.42Å; N360-D401 PolarHBondContact N-OD2 3.04Å; N360-D401 VanDerWaalsContact N-OD2 3.1Å; N360-D401 VanDerWaalsContact ND2-CB 3.27Å; N360-D401 WeakPolarHBondContact ND2-CB 3.4Å; L364-D401 HydrophobicContact CD2-CB 3.74Å; L364-D401 VanDerWaalsContact CD2-OD2 3.22Å; L364-D401 WeakPolarHBondContact CD2-OD2 3.49Å; Q389-D401 PolarHBondContact NE2-OD1 3.36Å; D401-W403 VanDerWaalsContact CG-NE1 3.31Å; D401-W403 PolarHBondContact OD1-NE1 2.93Å; D401-W403 PolarHBondContact OD2-NE1 2.99Å; D401-W403 VanDerWaalsContact OD2-NE1 3.16Å; D401-A420 WeakPolarHBondContact O-CA 3.19Å; D401-D421 PolarHBondContact O-N 3.14Å
402C95.5Very high86.1Confident9 Ų939.4 Ų39.46%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-142.3135.6-177.7-166.20000111.7Q389 H390 I419 A420Q389-C402 CarbonylContact C-O 3.53Å; Q389-C402 WeakPolarHBondContact CA-O 3.08Å; H390-C402 HydrophobicContact CB-CB 4.12Å; H390-C402 VanDerWaalsContact CE1-SG 3.54Å; H390-C402 PolarHBondContact N-O 2.57Å; C402-I419 WeakPolarHBondContact CA-O 3.37Å; C402-A420 HydrophobicContact CB-CB 4.32Å
403W97.7Very high86.7Confident0 Ų038.8 Ų38.80%021%0.205CC..EExtended strand (participates in β ladder)trans-134.4134.6-175.4-67.382.2000111.4L333 L358 I359 M368 F387 R388 Q389 D401 I419L333-W403 HydrophobicContact CB-CH2 4.1Å; L333-W403 HydrophobicContact CB-CZ3 3.94Å; L333-W403 HydrophobicContact CD1-CH2 4.2Å; L333-W403 HydrophobicContact CD2-CE3 4.28Å; L333-W403 HydrophobicContact CD2-CH2 4.2Å; L333-W403 HydrophobicContact CD2-CZ3 3.84Å; L333-W403 HydrophobicContact CG-CH2 4.4Å; L333-W403 HydrophobicContact CG-CZ3 4.34Å; L358-W403 HydrophobicContact CD1-CH2 3.99Å; L358-W403 HydrophobicContact CD1-CZ2 4.06Å; L358-W403 HydrophobicContact CG-CH2 4.18Å; L358-W403 HydrophobicContact CG-CZ2 4.16Å; I359-W403 HydrophobicContact CG1-CZ2 4.17Å; M368-W403 HydrophobicContact CE-CB 4.02Å; M368-W403 HydrophobicContact CE-CD2 3.47Å; M368-W403 VanDerWaalsContact CE-CD2 3.47Å; M368-W403 HydrophobicContact CE-CE3 3.78Å; M368-W403 HydrophobicContact CE-CG 3.59Å; M368-W403 HydrophobicContact CE-CZ3 4.42Å; M368-W403 HydrophobicContact SD-CB 4.48Å; M368-W403 HydrophobicContact SD-CD2 4.32Å; M368-W403 HydrophobicContact SD-CG 4Å; F387-W403 HydrophobicContact CB-CE3 3.83Å; F387-W403 HydrophobicContact CB-CZ3 4.36Å; F387-W403 WeakPolarHBondContact O-CZ3 3.33Å; R388-W403 CarbonylContact O-C 3.56Å; R388-W403 WeakPolarHBondContact O-CA 3.43Å; Q389-W403 HydrophobicContact CB-CD2 3.92Å; Q389-W403 HydrophobicContact CB-CE3 3.77Å; Q389-W403 HydrophobicContact CB-CH2 3.74Å; Q389-W403 HydrophobicContact CB-CZ2 3.85Å; Q389-W403 HydrophobicContact CB-CZ3 3.68Å; Q389-W403 VanDerWaalsContact CD-CZ2 3.45Å; Q389-W403 HydrophobicContact CG-CD2 4.08Å; Q389-W403 HydrophobicContact CG-CE3 4.43Å; Q389-W403 HydrophobicContact CG-CH2 4.18Å; Q389-W403 HydrophobicContact CG-CZ2 3.77Å; Q389-W403 HydrophobicContact CG-CZ3 4.48Å; D401-W403 VanDerWaalsContact CG-NE1 3.31Å; D401-W403 PolarHBondContact OD1-NE1 2.93Å; D401-W403 PolarHBondContact OD2-NE1 2.99Å; D401-W403 VanDerWaalsContact OD2-NE1 3.16Å; W403-I419 PolarHBondContact N-O 3.17Å; W403-I419 PolarHBondContact O-N 3.11Å
404D97.9Very high87.6Confident10 Ų1036.3 Ų36.35%0.05319%0.192CC..EExtended strand (participates in β ladder)trans-101.5121.1172.2-64.4-24.5000110.1F387 R388 H390 E406 E415 V417F387-D404 CarbonylContact C-O 3.49Å; F387-D404 VanDerWaalsContact CA-O 3.24Å; F387-D404 WeakPolarHBondContact CA-O 3.47Å; R388-D404 IonicContact CZ-OD2 3.45Å; R388-D404 PolarHBondContact N-O 3.12Å; R388-D404 IonicContact NE-OD2 2.7Å; R388-D404 IonicContact NH2-OD2 3.72Å; R388-D404 PolarHBondContact NH2-OD2 3.2Å; R388-D404 PolarHBondContact O-N 3.45Å; H390-D404 IonicContact CD2-OD1 3.88Å; H390-D404 IonicContact CD2-OD2 3.94Å; H390-D404 PolarHBondContact CD2-OD2 3.49Å; H390-D404 IonicContact CE1-OD1 2.97Å; H390-D404 IonicContact NE2-OD1 3.38Å; H390-D404 PolarHBondContact NE2-OD1 2.86Å; H390-D404 IonicContact NE2-OD2 2.84Å; H390-D404 PolarHBondContact NE2-OD2 3.28Å; D404-E406 HydrophobicContact CB-CG 3.9Å; D404-E406 PolarHBondContact O-N 3.04Å; D404-E415 HydrophobicContact CB-CG 4.06Å; D404-V417 CarbonylContact C-O 3.55Å; D404-V417 WeakPolarHBondContact CA-O 3.39Å
405A98.6Very high88.7Confident0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-76.5106.2163.100000108.8V371 L375 R386 F387 C416 V417V371-A405 HydrophobicContact CG1-CB 3.92Å; L375-A405 HydrophobicContact CD1-CB 3.78Å; R386-A405 CarbonylContact O-C 3.52Å; R386-A405 WeakPolarHBondContact O-CA 3.48Å; F387-A405 HydrophobicContact CD1-CB 3.96Å; F387-A405 HydrophobicContact CE1-CB 3.6Å; F387-A405 HydrophobicContact CZ-CB 4.01Å; A405-C416 PolarHBondContact O-N 3.08Å; A405-V417 HydrophobicContact CB-CB 3.91Å; A405-V417 HydrophobicContact CB-CG2 4.32Å; A405-V417 PolarHBondContact N-O 2.91Å; A405-V417 PolarHBondContact O-N 3.38Å
406E98.3Very high90Very high14 Ų1435 Ų357%0.06519%0.185CC..EExtended strand (participates in β ladder)trans-105.3136.8-175.4-63.3178.9159.900111.5L385 R386 R388 D404 W413 I414L385-E406 WeakPolarHBondContact CA-O 3.45Å; L385-E406 WeakPolarHBondContact CD1-O 3.46Å; R386-E406 HydrophobicContact CG-CB 4.15Å; R386-E406 IonicContact CZ-OE2 2.66Å; R386-E406 PolarHBondContact N-O 3.44Å; R386-E406 VanDerWaalsContact N-O 3.11Å; R386-E406 IonicContact NE-OE2 3.54Å; R386-E406 PolarHBondContact NE-OE2 2.97Å; R386-E406 IonicContact NH2-OE2 3.6Å; R386-E406 PolarHBondContact NH2-OE2 2.79Å; R386-E406 PolarHBondContact O-N 3.11Å; R388-E406 HydrophobicContact CB-CG 4.49Å; R388-E406 WeakPolarHBondContact CD-OE1 3.32Å; R388-E406 IonicContact CZ-OE1 2.84Å; R388-E406 IonicContact NE-OE1 3.75Å; R388-E406 PolarHBondContact NE-OE1 3.01Å; D404-E406 HydrophobicContact CB-CG 3.9Å; D404-E406 PolarHBondContact O-N 3.04Å; E406-W413 HydrophobicContact CB-CB 4.4Å; E406-W413 HydrophobicContact CB-CE3 3.83Å; E406-W413 WeakPolarHBondContact O-CZ3 3.18Å; E406-I414 CarbonylContact C-O 3.59Å; E406-I414 WeakPolarHBondContact CA-O 3.43Å
407C97.8Very high91.4Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-104.8130.5173.4-66.10000110.3K384 T409 I414 C416 A545K384-C407 CarbonylContact O-C 3.59Å; K384-C407 VanDerWaalsContact O-CA 3.28Å; K384-C407 WeakPolarHBondContact O-CA 3.48Å; C407-T409 PolarHBondContact O-N 2.57Å; C407-I414 HydrophobicContact CB-CG1 4.2Å; C407-I414 PolarHBondContact N-O 3.37Å; C407-I414 VanDerWaalsContact O-CG1 3.31Å; C407-I414 WeakPolarHBondContact O-CG1 3.42Å; C407-I414 PolarHBondContact O-N 3.1Å; C407-C416 VanDerWaalsContact SG-SG 3.6Å; C407-A545 HydrophobicContact CB-CB 3.71Å
408H95.8Very high92.9Very high75 Ų7527.8 Ų27.835%0.34715%0.149SC..EExtended strand (participates in β ladder)trans-84.1111.4177.2-176.1-84.6000111.5K384 W413 H549K384-H408 HydrophobicContact CB-CB 3.99Å; K384-H408 HydrophobicContact CG-CB 4.38Å; K384-H408 PolarHBondContact O-N 2.56Å; H408-W413 HydrophobicContact CB-CD2 3.84Å; H408-W413 HydrophobicContact CB-CE3 3.7Å; H408-W413 HydrophobicContact CB-CH2 3.73Å; H408-W413 HydrophobicContact CB-CZ2 3.86Å; H408-W413 HydrophobicContact CB-CZ3 3.64Å; H408-W413 AromaticContact CD2-CD1 3.87Å; H408-W413 AromaticContact CD2-CD2 3.96Å; H408-W413 AromaticContact CD2-CE2 3.61Å; H408-W413 AromaticContact CD2-NE1 3.56Å; H408-H549 PolarHBondContact O-NE2 2.54Å
409T93.7Very high94.2Very high2 Ų225.4 Ų25.41%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-114.2-179.1178.3690000111.5C407 H411 G412 I414 Y544 A545 E548C407-T409 PolarHBondContact O-N 2.57Å; T409-H411 PolarHBondContact O-N 3.31Å; T409-H411 PolarHBondContact OG1-N 3.48Å; T409-G412 PolarHBondContact N-O 2.98Å; T409-G412 WeakPolarHBondContact O-CA 3.49Å; T409-G412 PolarHBondContact O-N 3.09Å; T409-G412 PolarHBondContact OG1-O 3.32Å; T409-I414 HydrophobicContact CG2-CD1 3.7Å; T409-I414 HydrophobicContact CG2-CG1 3.9Å; T409-Y544 HydrophobicContact CG2-CD1 4.23Å; T409-Y544 HydrophobicContact CG2-CE1 4.01Å; T409-A545 HydrophobicContact CG2-CB 4.3Å; T409-E548 VanDerWaalsContact C-OE1 3.23Å; T409-E548 WeakPolarHBondContact CA-OE1 3.23Å; T409-E548 WeakPolarHBondContact CB-OE1 3.33Å
410S91.2Very high94.9Very high44 Ų4424.8 Ų24.831%0.30813%0.134SC..THydrogen-bonded Turntrans-63.7-14.317158.80000113.4R83 E548R83-S410 WeakPolarHBondContact CD-OG 3.5Å; S410-E548 PolarHBondContact N-OE1 2.85Å; S410-E548 PolarHBondContact N-OE2 3.43Å; S410-E548 PolarHBondContact OG-OE2 3.46Å
411H88.7Confident95.3Very high54 Ų5421 Ų2125%0.2511%0.111CC..THydrogen-bonded Turntrans-931.9169.7-63.1105.7000113.2I299 T409 Y544I299-H411 HydrophobicContact CD1-CB 4.1Å; I299-H411 VanDerWaalsContact CD1-ND1 3.33Å; I299-H411 WeakPolarHBondContact CD1-ND1 3.47Å; T409-H411 PolarHBondContact O-N 3.31Å; T409-H411 PolarHBondContact OG1-N 3.48Å; H411-Y544 AromaticContact CE1-CZ 3.99Å; H411-Y544 PolarHBondContact CE1-OH 3.33Å; H411-Y544 VanDerWaalsContact CE1-OH 3.3Å; H411-Y544 AromaticContact ND1-CZ 3.81Å; H411-Y544 PolarHBondContact ND1-OH 3.04Å
412G89.2Confident95.1Very high25 Ų2523.7 Ų23.726%0.25812%0.121SC..EExtended strand (participates in β ladder)trans96.3-163.2-172.300000112.4T409 I414T409-G412 PolarHBondContact N-O 2.98Å; T409-G412 WeakPolarHBondContact O-CA 3.49Å; T409-G412 PolarHBondContact O-N 3.09Å; T409-G412 PolarHBondContact OG1-O 3.32Å; G412-I414 PolarHBondContact O-N 3.37Å
413W93.2Very high94.3Very high94 Ų9426 Ų2636%0.35614%0.137SC..EExtended strand (participates in β ladder)trans-71121175.3-67.9100.5000109.9R386 E406 H408R386-W413 HydrophobicContact CB-CH2 4.2Å; R386-W413 HydrophobicContact CB-CZ3 4.07Å; R386-W413 HydrophobicContact CG-CD2 4.46Å; R386-W413 HydrophobicContact CG-CE3 3.82Å; R386-W413 HydrophobicContact CG-CH2 3.92Å; R386-W413 HydrophobicContact CG-CZ3 3.52Å; E406-W413 HydrophobicContact CB-CB 4.4Å; E406-W413 HydrophobicContact CB-CE3 3.83Å; E406-W413 WeakPolarHBondContact O-CZ3 3.18Å; H408-W413 HydrophobicContact CB-CD2 3.84Å; H408-W413 HydrophobicContact CB-CE3 3.7Å; H408-W413 HydrophobicContact CB-CH2 3.73Å; H408-W413 HydrophobicContact CB-CZ2 3.86Å; H408-W413 HydrophobicContact CB-CZ3 3.64Å; H408-W413 AromaticContact CD2-CD1 3.87Å; H408-W413 AromaticContact CD2-CD2 3.96Å; H408-W413 AromaticContact CD2-CE2 3.61Å; H408-W413 AromaticContact CD2-NE1 3.56Å
414I94.2Very high93.5Very high14 Ų1426 Ų267%0.07214%0.137CC..EExtended strand (participates in β ladder)trans-112.6130.5174.860.6167.6000109.5I299 E406 C407 T409 G412 C416 Y544 A545I299-I414 HydrophobicContact CD1-CD1 4.37Å; I299-I414 HydrophobicContact CD1-CG2 4.26Å; I299-I414 HydrophobicContact CG1-CD1 4.14Å; I299-I414 HydrophobicContact CG2-CG2 4.07Å; E406-I414 CarbonylContact C-O 3.59Å; E406-I414 WeakPolarHBondContact CA-O 3.43Å; C407-I414 HydrophobicContact CB-CG1 4.2Å; C407-I414 PolarHBondContact N-O 3.37Å; C407-I414 VanDerWaalsContact O-CG1 3.31Å; C407-I414 WeakPolarHBondContact O-CG1 3.42Å; C407-I414 PolarHBondContact O-N 3.1Å; T409-I414 HydrophobicContact CG2-CD1 3.7Å; T409-I414 HydrophobicContact CG2-CG1 3.9Å; G412-I414 PolarHBondContact O-N 3.37Å; I414-C416 PolarHBondContact O-N 3.28Å; I414-Y544 HydrophobicContact CD1-CD1 4.32Å; I414-A545 HydrophobicContact CD1-CB 4.41Å
415E95.8Very high93Very high78 Ų7827.6 Ų27.636%0.36414%0.143SC..EExtended strand (participates in β ladder)trans-66.1117.9170.5174.4-141.6168.700109.3D404 R541D404-E415 HydrophobicContact CB-CG 4.06Å; E415-R541 WeakPolarHBondContact O-CD 3.44Å; E415-R541 PolarHBondContact O-NH1 3.46Å; E415-R541 IonicContact OE2-NH1 2.6Å; E415-R541 PolarHBondContact OE2-NH1 2.93Å
416C98.1Very high92.6Very high2 Ų228 Ų281%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-104.2-30.1177.4-78.40000112.4A405 C407 I414 G538 I542A405-C416 PolarHBondContact O-N 3.08Å; C407-C416 VanDerWaalsContact SG-SG 3.6Å; I414-C416 PolarHBondContact O-N 3.28Å; C416-G538 PolarHBondContact O-N 2.74Å; C416-I542 HydrophobicContact CB-CG1 3.81Å
417V98.6Very high92.4Very high1 Ų127.4 Ų27.41%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-142.8128.3179.4-169.40000109.1V371 L375 D404 A405 I419 S536 F537 I542V371-V417 HydrophobicContact CG1-CB 4.06Å; V371-V417 HydrophobicContact CG1-CG1 4.01Å; V371-V417 HydrophobicContact CG1-CG2 3.99Å; V371-V417 HydrophobicContact CG2-CG1 4.15Å; L375-V417 HydrophobicContact CD1-CG2 4.35Å; L375-V417 HydrophobicContact CD2-CG2 4.33Å; D404-V417 CarbonylContact C-O 3.55Å; D404-V417 WeakPolarHBondContact CA-O 3.39Å; A405-V417 HydrophobicContact CB-CB 3.91Å; A405-V417 HydrophobicContact CB-CG2 4.32Å; A405-V417 PolarHBondContact N-O 2.91Å; A405-V417 PolarHBondContact O-N 3.38Å; V417-I419 HydrophobicContact CG1-CG1 4.05Å; V417-S536 CarbonylContact C-O 3.54Å; V417-S536 WeakPolarHBondContact CA-O 3.41Å; V417-S536 VanDerWaalsContact CG1-O 3.28Å; V417-S536 WeakPolarHBondContact CG1-O 3.5Å; V417-F537 HydrophobicContact CB-CD1 4.25Å; V417-F537 HydrophobicContact CG1-CD1 3.78Å; V417-F537 HydrophobicContact CG1-CD2 4.11Å; V417-F537 HydrophobicContact CG1-CE1 3.85Å; V417-F537 HydrophobicContact CG1-CE2 4.19Å; V417-F537 HydrophobicContact CG1-CG 3.91Å; V417-F537 HydrophobicContact CG1-CZ 4.06Å; V417-F537 HydrophobicContact CG2-CB 4.44Å; V417-F537 HydrophobicContact CG2-CD1 3.38Å; V417-F537 HydrophobicContact CG2-CE1 3.82Å; V417-F537 HydrophobicContact CG2-CG 4.05Å; V417-I542 HydrophobicContact CG2-CD1 4.14Å
418G97.2Very high92.2Very high12 Ų1231.5 Ų31.512%0.12416%0.164CC..EExtended strand (participates in β ladder)trans-96.5140.1166.300000109.9P535 S536G418-P535 CarbonylContact O-C 3.52Å; G418-P535 WeakPolarHBondContact O-CA 3.3Å; G418-S536 PolarHBondContact N-O 3.41Å; G418-S536 PolarHBondContact O-N 2.9Å
419I97.5Very high92.1Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-134.9114.5-179.6-46.1163.3000107.6L364 M368 V371 F387 C402 W403 V417 E534 P535L364-I419 HydrophobicContact CD1-CB 4.48Å; L364-I419 HydrophobicContact CD1-CG2 3.57Å; M368-I419 HydrophobicContact CG-CD1 3.91Å; M368-I419 HydrophobicContact CG-CG2 4.5Å; V371-I419 HydrophobicContact CB-CD1 4Å; V371-I419 HydrophobicContact CG1-CD1 4.11Å; V371-I419 HydrophobicContact CG2-CD1 3.76Å; V371-I419 HydrophobicContact CG2-CG1 4.23Å; F387-I419 HydrophobicContact CD1-CD1 4.04Å; F387-I419 HydrophobicContact CE1-CD1 3.61Å; C402-I419 WeakPolarHBondContact CA-O 3.37Å; W403-I419 PolarHBondContact N-O 3.17Å; W403-I419 PolarHBondContact O-N 3.11Å; V417-I419 HydrophobicContact CG1-CG1 4.05Å; I419-E534 WeakPolarHBondContact CA-O 3.38Å; I419-P535 HydrophobicContact CG2-CG 4.24Å
420A95.2Very high92.2Very high1 Ų130.8 Ų30.81%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-125.3142.8-175.100000112.1D401 C402 R422 I533 E534D401-A420 WeakPolarHBondContact O-CA 3.19Å; C402-A420 HydrophobicContact CB-CB 4.32Å; A420-R422 HydrophobicContact CB-CG 3.9Å; A420-R422 VanDerWaalsContact CB-NE 3.26Å; A420-I533 CarbonylContact O-C 3.57Å; A420-I533 WeakPolarHBondContact O-CA 3.45Å; A420-E534 PolarHBondContact N-O 3.36Å; A420-E534 PolarHBondContact O-N 3.04Å
421D94.9Very high92.4Very high2 Ų229.8 Ų29.81%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-96.9123.5158.3178.824.1000109.1K318 N360 N361 L364 A399 T400 D401 I533K318-D421 IonicContact NZ-OD1 2.89Å; K318-D421 PolarHBondContact NZ-OD1 2.95Å; K318-D421 IonicContact NZ-OD2 2.74Å; K318-D421 PolarHBondContact NZ-OD2 3.47Å; N360-D421 PolarHBondContact ND2-OD2 3.45Å; N361-D421 PolarHBondContact ND2-OD2 2.69Å; L364-D421 HydrophobicContact CD2-CB 4.28Å; A399-D421 CarbonylContact C-O 3.54Å; A399-D421 WeakPolarHBondContact CA-O 3.14Å; T400-D421 PolarHBondContact N-O 2.75Å; T400-D421 PolarHBondContact OG1-O 3.07Å; T400-D421 VanDerWaalsContact OG1-O 3.07Å; T400-D421 PolarHBondContact OG1-OD2 2.8Å; D401-D421 PolarHBondContact O-N 3.14Å; D421-I533 HydrophobicContact CB-CD1 3.48Å; D421-I533 VanDerWaalsContact CB-CD1 3.48Å; D421-I533 VanDerWaalsContact CG-CD1 3.45Å; D421-I533 WeakPolarHBondContact OD1-CD1 3.05Å
422R87.1Confident92.6Very high60 Ų6035.7 Ų35.723%0.22618%0.178CC..EExtended strand (participates in β ladder)trans-133.8145.3-174.3-60.5172.2179.7-177.46.8111.3Y398 A399 A420 V532 E534Y398-R422 HydrophobicContact CD2-CB 4.14Å; Y398-R422 HydrophobicContact CD2-CG 4.01Å; Y398-R422 HydrophobicContact CE2-CG 4.22Å; A399-R422 HydrophobicContact CB-CG 4.15Å; A420-R422 HydrophobicContact CB-CG 3.9Å; A420-R422 VanDerWaalsContact CB-NE 3.26Å; R422-V532 HydrophobicContact CB-CG1 4.17Å; R422-V532 PolarHBondContact N-O 2.74Å; R422-V532 PolarHBondContact O-N 3.46Å; R422-E534 WeakPolarHBondContact CD-OE1 3.28Å; R422-E534 WeakPolarHBondContact CD-OE2 3.3Å; R422-E534 IonicContact CZ-OE2 2.77Å; R422-E534 IonicContact NE-OE2 2.73Å; R422-E534 PolarHBondContact NE-OE2 3.39Å; R422-E534 IonicContact NH1-OE2 2.76Å; R422-E534 PolarHBondContact NH1-OE2 3.37Å; R422-E534 IonicContact NH2-OE2 3.53Å
423S79.1Confident92.8Very high57 Ų5737.8 Ų37.840%0.39919%0.193SC..EExtended strand (participates in β ladder)trans-66.6137.9155.164.60000108.1Y398 Y425Y398-S423 PolarHBondContact O-N 3.15Å; Y398-S423 PolarHBondContact O-OG 3.24Å; S423-Y425 PolarHBondContact O-N 2.87Å
424C81.8Confident92.8Very high2 Ų237.5 Ų37.51%0.01420%0.202CC..  trans-79.771.1-170.8-152.30000112F263 D426 L427 L428 V529 P530 V532F263-C424 VanDerWaalsContact CE1-SG 3.55Å; C424-D426 VanDerWaalsContact C-N 3.27Å; C424-D426 PolarHBondContact O-N 2.93Å; C424-L427 HydrophobicContact CB-CB 4.44Å; C424-L427 HydrophobicContact CB-CD1 3.99Å; C424-L427 HydrophobicContact CB-CG 4.21Å; C424-L427 PolarHBondContact O-N 3.19Å; C424-L427 WeakPolarHBondContact SG-CD1 3.38Å; C424-L427 WeakPolarHBondContact SG-CG 3.39Å; C424-L428 PolarHBondContact O-N 3.14Å; C424-V529 HydrophobicContact CB-CG1 4.12Å; C424-P530 WeakPolarHBondContact CB-O 3.36Å; C424-V532 HydrophobicContact CB-CG1 4.2Å
425Y86.7Confident92.6Very high42 Ų4239.8 Ų39.817%0.16523%0.229CC..Hα-helixtrans-53.4-43.3179175.4-98.1000111.4Y398 S423 L427 L428 Q429Y398-Y425 HydrophobicContact CD1-CD1 4.25Å; Y398-Y425 HydrophobicContact CD1-CD2 4.33Å; Y398-Y425 AromaticContact CD1-CG 3.92Å; Y398-Y425 HydrophobicContact CD1-CG 3.92Å; Y398-Y425 HydrophobicContact CE1-CD1 4.25Å; Y398-Y425 HydrophobicContact CE1-CG 4.39Å; Y398-Y425 HydrophobicContact CG-CG 4.49Å; S423-Y425 PolarHBondContact O-N 2.87Å; Y425-L427 PolarHBondContact O-N 3.11Å; Y425-L428 WeakPolarHBondContact O-CB 3.47Å; Y425-L428 PolarHBondContact O-N 2.83Å; Y425-Q429 HydrophobicContact CD1-CG 3.88Å; Y425-Q429 HydrophobicContact CD2-CG 4.24Å; Y425-Q429 HydrophobicContact CE1-CG 3.43Å; Y425-Q429 VanDerWaalsContact CE1-CG 3.43Å; Y425-Q429 HydrophobicContact CE2-CG 3.83Å; Y425-Q429 HydrophobicContact CG-CG 4.26Å; Y425-Q429 WeakPolarHBondContact O-CG 3.39Å; Y425-Q429 PolarHBondContact O-N 3.44Å
426D90.3Very high92.5Very high10 Ų1039.2 Ų39.25%0.05323%0.231CC..Hα-helixtrans-58.9-45.2179.3-66.6-89000112.6S154 Q260 F263 C424 L428 Q429 H430S154-D426 WeakPolarHBondContact CB-OD1 3.45Å; Q260-D426 PolarHBondContact NE2-OD1 2.89Å; F263-D426 HydrophobicContact CB-CB 4.17Å; F263-D426 HydrophobicContact CD1-CB 4.09Å; F263-D426 HydrophobicContact CD2-CB 3.71Å; F263-D426 HydrophobicContact CE1-CB 4.45Å; F263-D426 HydrophobicContact CE2-CB 4.09Å; F263-D426 HydrophobicContact CG-CB 3.72Å; F263-D426 HydrophobicContact CZ-CB 4.46Å; C424-D426 VanDerWaalsContact C-N 3.27Å; C424-D426 PolarHBondContact O-N 2.93Å; D426-L428 VanDerWaalsContact C-N 3.31Å; D426-L428 PolarHBondContact O-N 3.3Å; D426-Q429 PolarHBondContact O-N 3.44Å; D426-H430 WeakPolarHBondContact O-CB 3.4Å; D426-H430 PolarHBondContact O-CD2 2.94Å; D426-H430 PolarHBondContact O-N 2.95Å
427L94.5Very high92.2Very high0 Ų045 Ų450%026%0.256CS..Hα-helixtrans-62.9-39.3177.5-63.8179.7000111.7F263 F266 F312 C424 Y425 S431 L438 V529 P530F263-L427 HydrophobicContact CB-CD2 4.24Å; F263-L427 HydrophobicContact CD1-CD2 4.06Å; F263-L427 HydrophobicContact CD1-CG 4.29Å; F266-L427 HydrophobicContact CB-CD2 3.51Å; F266-L427 HydrophobicContact CD1-CD1 4.19Å; F266-L427 HydrophobicContact CD1-CD2 4.07Å; F266-L427 HydrophobicContact CD2-CD1 3.96Å; F266-L427 HydrophobicContact CD2-CD2 4.18Å; F266-L427 HydrophobicContact CE1-CD1 4.29Å; F266-L427 HydrophobicContact CE2-CD1 4.07Å; F266-L427 HydrophobicContact CG-CD1 4.03Å; F266-L427 HydrophobicContact CG-CD2 3.65Å; F266-L427 HydrophobicContact CZ-CD1 4.24Å; F312-L427 HydrophobicContact CD1-CD1 4.34Å; F312-L427 HydrophobicContact CE1-CD1 4Å; C424-L427 HydrophobicContact CB-CB 4.44Å; C424-L427 HydrophobicContact CB-CD1 3.99Å; C424-L427 HydrophobicContact CB-CG 4.21Å; C424-L427 PolarHBondContact O-N 3.19Å; C424-L427 WeakPolarHBondContact SG-CD1 3.38Å; C424-L427 WeakPolarHBondContact SG-CG 3.39Å; Y425-L427 PolarHBondContact O-N 3.11Å; L427-S431 WeakPolarHBondContact O-CB 3.43Å; L427-S431 PolarHBondContact O-N 3.48Å; L427-S431 PolarHBondContact O-OG 3.28Å; L427-L438 HydrophobicContact CB-CB 4.05Å; L427-L438 HydrophobicContact CD2-CB 3.95Å; L427-L438 HydrophobicContact CD2-CD1 3.93Å; L427-L438 HydrophobicContact CG-CB 4.45Å; L427-V529 HydrophobicContact CB-CG1 4.43Å; L427-P530 HydrophobicContact CD1-CG 3.62Å
428L93.5Very high92.1Very high87 Ų8745.4 Ų45.446%0.45526%0.258SS..Hα-helixtrans-63.2-48.4175.4-78.4169.1000111.5C424 Y425 D426 S431 K432 V529C424-L428 PolarHBondContact O-N 3.14Å; Y425-L428 WeakPolarHBondContact O-CB 3.47Å; Y425-L428 PolarHBondContact O-N 2.83Å; D426-L428 VanDerWaalsContact C-N 3.31Å; D426-L428 PolarHBondContact O-N 3.3Å; L428-S431 PolarHBondContact O-N 2.76Å; L428-K432 WeakPolarHBondContact O-CB 3.24Å; L428-K432 PolarHBondContact O-N 3.01Å; L428-V529 HydrophobicContact CD2-CG2 3.67Å; L428-V529 HydrophobicContact CG-CG1 4.14Å; L428-V529 HydrophobicContact CG-CG2 4.11Å
429Q93.7Very high92Very high53 Ų5346.4 Ų46.425%0.24826%0.262CS..Hα-helixtrans-67.1-44.7-178.7-64.9-48.6-45.100112.3A153 Y425 D426 S431 K432 A433A153-Q429 WeakPolarHBondContact O-CB 3.5Å; A153-Q429 WeakPolarHBondContact O-CG 3.45Å; Y425-Q429 HydrophobicContact CD1-CG 3.88Å; Y425-Q429 HydrophobicContact CD2-CG 4.24Å; Y425-Q429 HydrophobicContact CE1-CG 3.43Å; Y425-Q429 VanDerWaalsContact CE1-CG 3.43Å; Y425-Q429 HydrophobicContact CE2-CG 3.83Å; Y425-Q429 HydrophobicContact CG-CG 4.26Å; Y425-Q429 WeakPolarHBondContact O-CG 3.39Å; Y425-Q429 PolarHBondContact O-N 3.44Å; D426-Q429 PolarHBondContact O-N 3.44Å; Q429-S431 VanDerWaalsContact C-N 3.31Å; Q429-S431 PolarHBondContact O-N 3.4Å; Q429-K432 PolarHBondContact O-N 3.36Å; Q429-A433 WeakPolarHBondContact O-CB 3.31Å; Q429-A433 PolarHBondContact O-N 3.24Å
430H95.5Very high91.9Very high9 Ų946.5 Ų46.54%0.04226%0.262CS..Hα-helixtrans-62.8-39175.8-74.5-56.3000111.4V150 Q260 D426 K432 A433 T434 L438V150-H430 PolarHBondContact O-CE1 3.08Å; V150-H430 VanDerWaalsContact O-CE1 3.3Å; Q260-H430 PolarHBondContact OE1-NE2 3.2Å; D426-H430 WeakPolarHBondContact O-CB 3.4Å; D426-H430 PolarHBondContact O-CD2 2.94Å; D426-H430 PolarHBondContact O-N 2.95Å; H430-K432 VanDerWaalsContact C-N 3.34Å; H430-K432 PolarHBondContact O-N 3.45Å; H430-A433 PolarHBondContact O-N 2.77Å; H430-T434 WeakPolarHBondContact O-CB 3.03Å; H430-T434 WeakPolarHBondContact O-CG2 3.22Å; H430-T434 PolarHBondContact O-N 2.94Å; H430-T434 PolarHBondContact O-OG1 3.48Å; H430-L438 HydrophobicContact CB-CD1 3.64Å
431S95.2Very high91.8Very high23 Ų2351.5 Ų51.516%0.16129%0.285CS..Hα-helixtrans-62-42.5174.2-62.60000111.9L427 L428 Q429 G435 V436 L438L427-S431 WeakPolarHBondContact O-CB 3.43Å; L427-S431 PolarHBondContact O-N 3.48Å; L427-S431 PolarHBondContact O-OG 3.28Å; L428-S431 PolarHBondContact O-N 2.76Å; Q429-S431 VanDerWaalsContact C-N 3.31Å; Q429-S431 PolarHBondContact O-N 3.4Å; S431-G435 VanDerWaalsContact O-CA 3.26Å; S431-G435 WeakPolarHBondContact O-CA 3.47Å; S431-G435 PolarHBondContact O-N 3.24Å; S431-V436 VanDerWaalsContact CA-O 3.23Å; S431-V436 WeakPolarHBondContact CA-O 3.44Å; S431-V436 WeakPolarHBondContact CB-O 3.25Å; S431-V436 PolarHBondContact OG-O 3.38Å; S431-L438 WeakPolarHBondContact OG-CB 3.39Å; S431-L438 PolarHBondContact OG-N 3.45Å
432K93.1Very high91.5Very high177 Ų17756 Ų5677%0.7731%0.305SS*.Hα-helixtrans-67.8-41.1179-164.3176.9-175.4179.30112.1L428 Q429 H430L428-K432 WeakPolarHBondContact O-CB 3.24Å; L428-K432 PolarHBondContact O-N 3.01Å; Q429-K432 PolarHBondContact O-N 3.36Å; H430-K432 VanDerWaalsContact C-N 3.34Å; H430-K432 PolarHBondContact O-N 3.45Å
433A92.5Very high91.5Very high69 Ų6960.4 Ų60.457%0.5733%0.328SS*.Hα-helixtrans-71.3-35.6-17900000113.1A153 Q429 H430A153-A433 HydrophobicContact CB-CB 3.77Å; Q429-A433 WeakPolarHBondContact O-CB 3.31Å; Q429-A433 PolarHBondContact O-N 3.24Å; H430-A433 PolarHBondContact O-N 2.77Å
434T94Very high92Very high88 Ų8859.9 Ų59.954%0.5432%0.32SS..Hα-helixtrans-102.9-19.5-173.765.10000114.1H430 V436H430-T434 WeakPolarHBondContact O-CB 3.03Å; H430-T434 WeakPolarHBondContact O-CG2 3.22Å; H430-T434 PolarHBondContact O-N 2.94Å; H430-T434 PolarHBondContact O-OG1 3.48Å; T434-V436 PolarHBondContact O-N 3Å; T434-V436 WeakPolarHBondContact OG1-CB 3.44Å; T434-V436 PolarHBondContact OG1-N 2.93Å; T434-V436 VanDerWaalsContact OG1-N 3.14Å
435G90.6Very high92.3Very high63 Ų6365 Ų6565%0.64936%0.363SS*.  trans72.23.2-168.300000114.1S431S431-G435 VanDerWaalsContact O-CA 3.26Å; S431-G435 WeakPolarHBondContact O-CA 3.47Å; S431-G435 PolarHBondContact O-N 3.24Å
436V93.5Very high92.5Very high65 Ų6568.3 Ų68.339%0.39439%0.388SS..  trans-85.5121176-179.80000108.8K267 S431 T434 L438K267-V436 HydrophobicContact CD-CG1 4.48Å; S431-V436 VanDerWaalsContact CA-O 3.23Å; S431-V436 WeakPolarHBondContact CA-O 3.44Å; S431-V436 WeakPolarHBondContact CB-O 3.25Å; S431-V436 PolarHBondContact OG-O 3.38Å; T434-V436 PolarHBondContact O-N 3Å; T434-V436 WeakPolarHBondContact OG1-CB 3.44Å; T434-V436 PolarHBondContact OG1-N 2.93Å; T434-V436 VanDerWaalsContact OG1-N 3.14Å; V436-L438 HydrophobicContact CG1-CD2 4.31Å; V436-L438 PolarHBondContact O-N 3.22Å
437K92.3Very high92.5Very high124 Ų12470.8 Ų70.854%0.53940%0.404SS..  trans-65.4118.1175-64.1-172.7175.9-164.90111.2V439 E527K437-V439 HydrophobicContact CB-CG2 4.18Å; K437-E527 VanDerWaalsContact NZ-CD 3.26Å; K437-E527 IonicContact NZ-OE1 2.66Å; K437-E527 PolarHBondContact NZ-OE1 2.85Å; K437-E527 IonicContact NZ-OE2 2.76Å; K437-E527 PolarHBondContact NZ-OE2 3.26Å
438L95.8Very high92.3Very high9 Ų977 Ų775%0.04743%0.431CS..  trans-108.266.5170.4-56.7176.9000109.9F266 K267 L427 H430 S431 V436F266-L438 HydrophobicContact CD1-CB 4.03Å; F266-L438 HydrophobicContact CD1-CD2 4.43Å; K267-L438 HydrophobicContact CB-CD2 4.12Å; L427-L438 HydrophobicContact CB-CB 4.05Å; L427-L438 HydrophobicContact CD2-CB 3.95Å; L427-L438 HydrophobicContact CD2-CD1 3.93Å; L427-L438 HydrophobicContact CG-CB 4.45Å; H430-L438 HydrophobicContact CB-CD1 3.64Å; S431-L438 WeakPolarHBondContact OG-CB 3.39Å; S431-L438 PolarHBondContact OG-N 3.45Å; V436-L438 HydrophobicContact CG1-CD2 4.31Å; V436-L438 PolarHBondContact O-N 3.22Å
439V95.6Very high92.2Very high34 Ų3479.7 Ų79.721%0.20644%0.439CS..  trans-122.8157.7-177.4-60.70000110.1K437 E527 F528 V529K437-V439 HydrophobicContact CB-CG2 4.18Å; V439-E527 HydrophobicContact CG2-CB 4.19Å; V439-E527 HydrophobicContact CG2-CG 4.21Å; V439-F528 WeakPolarHBondContact CB-O 3.46Å; V439-V529 HydrophobicContact CG1-CG2 4.13Å
440A94.7Very high91.8Very high1 Ų179.2 Ų79.21%0.00844%0.44CS..EExtended strand (participates in β ladder)trans-97.1158.8167.400000110.5L270 L277 E527 F528L270-A440 HydrophobicContact CD2-CB 4.34Å; L277-A440 HydrophobicContact CD1-CB 3.38Å; L277-A440 HydrophobicContact CG-CB 4.34Å; A440-E527 WeakPolarHBondContact O-CA 3.19Å; A440-F528 HydrophobicContact CB-CE1 4.09Å; A440-F528 HydrophobicContact CB-CE2 4.18Å; A440-F528 HydrophobicContact CB-CZ 3.85Å; A440-F528 PolarHBondContact N-O 2.96Å; A440-F528 PolarHBondContact O-N 3.12Å
441E92.6Very high91.6Very high106 Ų10683.3 Ų83.350%0.49547%0.466SS..EExtended strand (participates in β ladder)trans-118133.7178.6-68.7179.7-165.600110.1V525 E526 E527E441-V525 HydrophobicContact CB-CB 4.4Å; E441-E526 WeakPolarHBondContact CA-O 3.48Å; E441-E527 HydrophobicContact CG-CG 4.22Å
442K89.1Confident91.3Very high97 Ų9782.7 Ų82.742%0.42246%0.463SS..EExtended strand (participates in β ladder)trans-116.2121.1172.2-175.9175-168.9168.50109.4D314 L444 V525 E526 F528D314-K442 IonicContact OD2-NZ 3.15Å; D314-K442 PolarHBondContact OD2-NZ 2.92Å; K442-L444 PolarHBondContact O-N 2.92Å; K442-V525 CarbonylContact O-C 3.56Å; K442-V525 VanDerWaalsContact O-CA 3.27Å; K442-V525 WeakPolarHBondContact O-CA 3.37Å; K442-E526 PolarHBondContact N-O 2.92Å; K442-E526 PolarHBondContact O-N 3.06Å; K442-F528 HydrophobicContact CB-CD1 4.42Å; K442-F528 HydrophobicContact CB-CE1 3.85Å
443H88.5Confident91.2Very high152 Ų15276.4 Ų76.470%0.70444%0.439SS*.EExtended strand (participates in β ladder)trans-64.1128.1173.8-75.8-74.8000110.7V525H443-V525 WeakPolarHBondContact ND1-CG1 3.4Å
444L88Confident91.1Very high47 Ų4779 Ų7925%0.24643%0.434CS..EExtended strand (participates in β ladder)trans-77.6132.2174.4-63.9174.9000109.1K442 T446 K448 V523 H524 E526K442-L444 PolarHBondContact O-N 2.92Å; L444-T446 WeakPolarHBondContact CB-O 3.23Å; L444-T446 PolarHBondContact O-N 3.47Å; L444-K448 HydrophobicContact CD1-CB 3.8Å; L444-V523 HydrophobicContact CD1-CG2 3.91Å; L444-H524 PolarHBondContact N-O 2.77Å; L444-E526 HydrophobicContact CD2-CB 3.99Å; L444-E526 HydrophobicContact CG-CB 4.44Å
445A88.9Confident91.1Very high110 Ų11075.1 Ų75.191%0.90941%0.41SS*.EExtended strand (participates in β ladder)trans-57.4-36.3176.500000112
446T90.1Very high91.2Very high111 Ų11173.5 Ų73.568%0.68139%0.388SS*.EExtended strand (participates in β ladder)trans-127.1131.9171.4-530000108.5L444 K448L444-T446 WeakPolarHBondContact CB-O 3.23Å; L444-T446 PolarHBondContact O-N 3.47Å; T446-K448 PolarHBondContact O-N 2.63Å
447P91Very high91.2Very high61 Ų6170.9 Ų70.940%0.39637%0.372SS..EExtended strand (participates in β ladder)trans-56.1131.9176.5-22.832.5000111.3I522 V523P447-I522 HydrophobicContact CB-CG2 3.41Å; P447-I522 VanDerWaalsContact CB-CG2 3.41Å; P447-V523 CarbonylContact C-O 3.5Å; P447-V523 WeakPolarHBondContact CA-O 3.41Å
448K89.7Confident91.4Very high131 Ų13168 Ų6857%0.5736%0.363SS*.EExtended strand (participates in β ladder)trans-94.4127.2179.9-178178.2179-179.50109.2L444 T446 V450 V523L444-K448 HydrophobicContact CD1-CB 3.8Å; T446-K448 PolarHBondContact O-N 2.63Å; K448-V450 HydrophobicContact CD-CG2 4.45Å; K448-V450 HydrophobicContact CG-CG2 4.29Å; K448-V450 PolarHBondContact O-N 2.81Å; K448-V523 HydrophobicContact CB-CG2 3.82Å; K448-V523 PolarHBondContact N-O 2.87Å; K448-V523 WeakPolarHBondContact O-CG2 3.38Å; K448-V523 PolarHBondContact O-N 2.97Å
449K91.1Very high91.3Very high144 Ų14474.2 Ų74.263%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans-78.6113.3168.9-170-178.2-177.9-175.90108.2T451 S520K449-T451 HydrophobicContact CD-CG2 4.47Å; K449-T451 HydrophobicContact CG-CG2 4.3Å; K449-S520 WeakPolarHBondContact CE-OG 3.35Å
450V86.9Confident91.2Very high43 Ų4382 Ų8226%0.26142%0.415SS..EExtended strand (participates in β ladder)trans-100.7120.5173.4177.80000107.7K448 S520 K521 V523K448-V450 HydrophobicContact CD-CG2 4.45Å; K448-V450 HydrophobicContact CG-CG2 4.29Å; K448-V450 PolarHBondContact O-N 2.81Å; V450-S520 WeakPolarHBondContact O-CA 3.28Å; V450-K521 HydrophobicContact CB-CG 4.09Å; V450-K521 PolarHBondContact N-O 2.82Å; V450-K521 PolarHBondContact O-N 2.94Å; V450-V523 HydrophobicContact CG2-CG1 4.12Å; V450-V523 HydrophobicContact CG2-CG2 3.74Å
451T90.9Very high91.1Very high95 Ų9583.4 Ų83.458%0.58343%0.426SS*.EExtended strand (participates in β ladder)trans-112.9146.9174.354.80000109.4K449 F519K449-T451 HydrophobicContact CD-CG2 4.47Å; K449-T451 HydrophobicContact CG-CG2 4.3Å; T451-F519 VanDerWaalsContact CA-O 3.28Å; T451-F519 WeakPolarHBondContact CA-O 3.46Å
452G88.7Confident91.2Very high10 Ų1078.3 Ų78.310%0.10340%0.403CS..EExtended strand (participates in β ladder)trans-174.1-179174.400000110.8P518 F519G452-P518 CarbonylContact O-C 3.56Å; G452-P518 WeakPolarHBondContact O-CA 3.37Å; G452-F519 VanDerWaalsContact C-CE1 3.46Å; G452-F519 PolarHBondContact N-O 2.83Å; G452-F519 VanDerWaalsContact N-O 3.15Å; G452-F519 WeakPolarHBondContact O-CD1 3.36Å; G452-F519 PolarHBondContact O-N 3.16Å
453T90.8Very high91.4Very high44 Ų4475.1 Ų75.127%0.2740%0.397SS..EExtended strand (participates in β ladder)trans-102.1135.7176-510000110.3E482 M516T453-E482 PolarHBondContact N-OE1 3.32Å; T453-E482 PolarHBondContact OG1-OE1 3.38Å; T453-M516 HydrophobicContact CG2-CB 3.83Å
454R91.4Very high91.6Very high124 Ų12474.3 Ų74.347%0.46840%0.395SS..EExtended strand (participates in β ladder)trans-127.9149.3175.567.3178.2-178.2-178.30.7111.4V456 M516 E517 F519R454-V456 HydrophobicContact CG-CG2 4.12Å; R454-M516 WeakPolarHBondContact O-CA 3.43Å; R454-E517 PolarHBondContact N-O 3.27Å; R454-E517 IonicContact NH2-OE2 3.81Å; R454-E517 PolarHBondContact O-N 3.11Å; R454-F519 HydrophobicContact CB-CD1 3.76Å; R454-F519 HydrophobicContact CB-CE1 4.13Å; R454-F519 HydrophobicContact CG-CB 4.35Å; R454-F519 HydrophobicContact CG-CD1 3.84Å; R454-F519 HydrophobicContact CG-CG 4.45Å
455C93Very high91.8Very high6 Ų678 Ų784%0.04141%0.411CS..EExtended strand (participates in β ladder)trans-78.9123.8168.1-178.30000110.1P457 L477 M480 C485 C514 M516C455-P457 WeakPolarHBondContact O-CD 3.31Å; C455-L477 WeakPolarHBondContact CB-O 3.37Å; C455-M480 HydrophobicContact CB-SD 4.34Å; C455-C485 PolarHBondContact N-SG 3.27Å; C455-C485 VanDerWaalsContact N-SG 3.36Å; C455-C514 VanDerWaalsContact SG-CB 3.56Å; C455-M516 VanDerWaalsContact CA-SD 3.59Å; C455-M516 HydrophobicContact CB-CE 3.65Å; C455-M516 HydrophobicContact CB-SD 3.7Å; C455-M516 VanDerWaalsContact SG-CE 3.53Å
456V93.7Very high92Very high29 Ų2974.3 Ų74.318%0.17637%0.374CS..EExtended strand (participates in β ladder)trans-107.4102.2173.7-178.10000108.1R454 C514 R515 E517R454-V456 HydrophobicContact CG-CG2 4.12Å; V456-C514 WeakPolarHBondContact O-CA 3.43Å; V456-R515 HydrophobicContact CB-CG 4.13Å; V456-R515 PolarHBondContact N-O 2.75Å; V456-R515 PolarHBondContact O-N 2.83Å; V456-E517 HydrophobicContact CG2-CB 4.08Å; V456-E517 HydrophobicContact CG2-CG 4Å; V456-E517 WeakPolarHBondContact CG2-OE2 3.3Å
457P93.7Very high92Very high11 Ų1179.1 Ų79.17%0.07138%0.38CS..EExtended strand (participates in β ladder)trans-74144.3177.626-31000112.8C455 K459 I462 L474 L477 E478 M513C455-P457 WeakPolarHBondContact O-CD 3.31Å; P457-K459 PolarHBondContact O-N 3.42Å; P457-I462 HydrophobicContact CB-CD1 3.5Å; P457-I462 VanDerWaalsContact CB-CD1 3.5Å; P457-L474 HydrophobicContact CB-CD2 3.61Å; P457-L474 HydrophobicContact CG-CD2 3.74Å; P457-L477 HydrophobicContact CB-CB 4.18Å; P457-L477 HydrophobicContact CB-CD1 3.89Å; P457-L477 HydrophobicContact CG-CB 4.22Å; P457-E478 HydrophobicContact CG-CG 3.64Å; P457-M513 CarbonylContact C-O 3.49Å; P457-M513 WeakPolarHBondContact CA-O 3.25Å
458D95.7Very high91.9Very high63 Ų6379.7 Ų79.734%0.33740%0.397SS..  trans-80.6102.5169.3-170.8-50.4000109.7R460 A461 I462 M513D458-R460 PolarHBondContact O-N 2.6Å; D458-R460 WeakPolarHBondContact OD1-CA 3.39Å; D458-R460 VanDerWaalsContact OD1-CB 3.31Å; D458-R460 WeakPolarHBondContact OD1-CB 3.31Å; D458-R460 PolarHBondContact OD1-N 2.9Å; D458-A461 HydrophobicContact CB-CB 4Å; D458-A461 PolarHBondContact O-N 2.83Å; D458-A461 PolarHBondContact OD1-N 2.84Å; D458-I462 WeakPolarHBondContact O-CB 3.31Å; D458-I462 WeakPolarHBondContact O-CG1 3.43Å; D458-I462 PolarHBondContact O-N 3.4Å; D458-M513 PolarHBondContact N-O 3.41Å
459K93.4Very high92Very high140 Ų14076.1 Ų76.161%0.60938%0.384SS*.Hα-helixtrans-57.6-31.7-179.4-63.3-173.7179.2-174.10113.2P457 G463 L474P457-K459 PolarHBondContact O-N 3.42Å; K459-G463 WeakPolarHBondContact O-CA 3.31Å; K459-G463 PolarHBondContact O-N 3.06Å; K459-L474 HydrophobicContact CG-CD1 4.17Å; K459-L474 HydrophobicContact CG-CD2 4.03Å
460R94Very high92.1Very high198 Ų19869.7 Ų69.775%0.74736%0.358SS*.Hα-helixtrans-76.4-49.1-178.7-175.8-178.4-178.9175.41.1110.3D458 G463 M464D458-R460 PolarHBondContact O-N 2.6Å; D458-R460 WeakPolarHBondContact OD1-CA 3.39Å; D458-R460 VanDerWaalsContact OD1-CB 3.31Å; D458-R460 WeakPolarHBondContact OD1-CB 3.31Å; D458-R460 PolarHBondContact OD1-N 2.9Å; R460-G463 PolarHBondContact O-N 3.19Å; R460-M464 HydrophobicContact CG-SD 4.16Å; R460-M464 WeakPolarHBondContact O-CB 3.27Å; R460-M464 VanDerWaalsContact O-CG 3.28Å; R460-M464 WeakPolarHBondContact O-CG 3.28Å; R460-M464 PolarHBondContact O-N 2.94Å
461A93.3Very high92.2Very high29 Ų2971 Ų7124%0.2437%0.373CS..Hα-helixtrans-61.5-48.6179.700000111.3D458 M464 Q465 M513D458-A461 HydrophobicContact CB-CB 4Å; D458-A461 PolarHBondContact O-N 2.83Å; D458-A461 PolarHBondContact OD1-N 2.84Å; A461-M464 PolarHBondContact O-N 3.49Å; A461-Q465 WeakPolarHBondContact O-CB 3.46Å; A461-Q465 PolarHBondContact O-N 3.45Å; A461-Q465 VanDerWaalsContact O-N 3.07Å; A461-M513 HydrophobicContact CB-CG 4.2Å
462I93.6Very high92.1Very high0 Ų067.8 Ų67.80%036%0.355CS..Hα-helixtrans-66-41.1178.7-68.4167000110.9P457 D458 M464 Q465 Y466 A470 V473 L474 L477 M513P457-I462 HydrophobicContact CB-CD1 3.5Å; P457-I462 VanDerWaalsContact CB-CD1 3.5Å; D458-I462 WeakPolarHBondContact O-CB 3.31Å; D458-I462 WeakPolarHBondContact O-CG1 3.43Å; D458-I462 PolarHBondContact O-N 3.4Å; I462-M464 PolarHBondContact O-N 3.28Å; I462-Q465 PolarHBondContact O-N 2.81Å; I462-Y466 HydrophobicContact CG2-CD2 4.07Å; I462-Y466 PolarHBondContact O-N 3.3Å; I462-A470 HydrophobicContact CG2-CB 4.05Å; I462-V473 HydrophobicContact CD1-CG1 4.34Å; I462-V473 HydrophobicContact CG2-CB 3.95Å; I462-V473 HydrophobicContact CG2-CG1 3.97Å; I462-L474 HydrophobicContact CB-CD2 4.21Å; I462-L474 HydrophobicContact CD1-CD2 3.71Å; I462-L474 HydrophobicContact CG2-CD2 4.06Å; I462-L474 HydrophobicContact CG2-CG 4.05Å; I462-L477 HydrophobicContact CD1-CD1 3.69Å; I462-M513 HydrophobicContact CD1-CB 4.32Å; I462-M513 WeakPolarHBondContact CD1-O 3.49Å; I462-M513 HydrophobicContact CG1-CB 3.93Å; I462-M513 HydrophobicContact CG1-CG 4.17Å; I462-M513 HydrophobicContact CG1-SD 4.42Å
463G92.4Very high92.3Very high29 Ų2967.3 Ų67.330%0.29935%0.35SS..Hα-helixtrans-61.5-42176.500000113.3K459 R460 R467K459-G463 WeakPolarHBondContact O-CA 3.31Å; K459-G463 PolarHBondContact O-N 3.06Å; R460-G463 PolarHBondContact O-N 3.19Å; G463-R467 WeakPolarHBondContact O-CA 3.49Å; G463-R467 PolarHBondContact O-N 2.85Å; G463-R467 VanDerWaalsContact O-N 3.08Å
464M93Very high92.4Very high136 Ų13666.6 Ų66.667%0.6734%0.344SS*.Hα-helixtrans-67.4-40.5177.4-74.2-179.764.700112.3R460 A461 I462R460-M464 HydrophobicContact CG-SD 4.16Å; R460-M464 WeakPolarHBondContact O-CB 3.27Å; R460-M464 VanDerWaalsContact O-CG 3.28Å; R460-M464 WeakPolarHBondContact O-CG 3.28Å; R460-M464 PolarHBondContact O-N 2.94Å; A461-M464 PolarHBondContact O-N 3.49Å; I462-M464 PolarHBondContact O-N 3.28Å
465Q92.7Very high92.3Very high123 Ų12368.1 Ų68.158%0.57535%0.354SS*.Hα-helixtrans-75.8-47.5-176.9-171.367.812.700112.7A461 I462 M513A461-Q465 WeakPolarHBondContact O-CB 3.46Å; A461-Q465 PolarHBondContact O-N 3.45Å; A461-Q465 VanDerWaalsContact O-N 3.07Å; I462-Q465 PolarHBondContact O-N 2.81Å; Q465-M513 HydrophobicContact CB-CE 3.93Å; Q465-M513 HydrophobicContact CG-CE 3.78Å
466Y92.7Very high92.2Very high34 Ų3471.9 Ų71.913%0.13337%0.368CS..Hα-helixtrans-106.8-10.2-167.4-62.7-59.8000114.7I462 G468 D469 V473 F507 N508 M513I462-Y466 HydrophobicContact CG2-CD2 4.07Å; I462-Y466 PolarHBondContact O-N 3.3Å; Y466-G468 PolarHBondContact O-N 3.16Å; Y466-D469 PolarHBondContact O-N 2.91Å; Y466-V473 HydrophobicContact CD2-CG2 4.13Å; Y466-V473 HydrophobicContact CG-CG2 4.37Å; Y466-F507 AromaticContact CD1-CD1 3.54Å; Y466-F507 HydrophobicContact CD1-CD1 3.54Å; Y466-F507 HydrophobicContact CD1-CE1 4.09Å; Y466-F507 HydrophobicContact CE1-CB 4.14Å; Y466-F507 AromaticContact CE1-CD1 3.6Å; Y466-F507 HydrophobicContact CE1-CD1 3.6Å; Y466-F507 HydrophobicContact CE1-CG 4.34Å; Y466-F507 HydrophobicContact CG-CD1 4.19Å; Y466-N508 WeakPolarHBondContact OH-CA 3.07Å; Y466-N508 PolarHBondContact OH-N 3.5Å; Y466-N508 PolarHBondContact OH-O 3.25Å; Y466-M513 HydrophobicContact CE2-CE 4.31Å; Y466-M513 HydrophobicContact CE2-SD 3.99Å
467R91Very high92.1Very high211 Ų21170.5 Ų70.580%0.79636%0.359SS*.G310 helixtrans47.8-105.9174.8-57.9-179.9-177.6-179.80.3112.5G463 D469 A470G463-R467 WeakPolarHBondContact O-CA 3.49Å; G463-R467 PolarHBondContact O-N 2.85Å; G463-R467 VanDerWaalsContact O-N 3.08Å; R467-D469 VanDerWaalsContact C-N 3.29Å; R467-D469 PolarHBondContact O-N 3Å; R467-A470 WeakPolarHBondContact O-CB 3.1Å; R467-A470 PolarHBondContact O-N 2.9Å
468G89.4Confident92Very high74 Ų7475.2 Ų75.276%0.76338%0.381SS*.G310 helixtrans-64.1-29.5-178.900000114Y466Y466-G468 PolarHBondContact O-N 3.16Å
469D91.3Very high91.6Very high55 Ų5575.9 Ų75.929%0.29440%0.395SS..G310 helixtrans-90.7-0.6178.5-66.3-59.3000112.6Y466 R467 A471 S472 V473 K505 F507Y466-D469 PolarHBondContact O-N 2.91Å; R467-D469 VanDerWaalsContact C-N 3.29Å; R467-D469 PolarHBondContact O-N 3Å; D469-A471 VanDerWaalsContact C-N 3.26Å; D469-A471 PolarHBondContact O-N 2.88Å; D469-S472 PolarHBondContact O-N 3.47Å; D469-S472 PolarHBondContact O-OG 3.15Å; D469-V473 PolarHBondContact O-N 3.17Å; D469-K505 IonicContact OD1-NZ 3.39Å; D469-K505 PolarHBondContact OD1-NZ 3.49Å; D469-K505 IonicContact OD2-NZ 2.8Å; D469-F507 HydrophobicContact CB-CE1 3.62Å; D469-F507 HydrophobicContact CB-CZ 3.64Å
470A91.9Very high91.4Very high9 Ų970.5 Ų70.57%0.07437%0.372CS..Hα-helixtrans-58.8-38-17900000112.2I462 R467 S472 V473 L474I462-A470 HydrophobicContact CG2-CB 4.05Å; R467-A470 WeakPolarHBondContact O-CB 3.1Å; R467-A470 PolarHBondContact O-N 2.9Å; A470-S472 VanDerWaalsContact C-N 3.35Å; A470-S472 PolarHBondContact O-N 2.81Å; A470-V473 PolarHBondContact O-N 3.3Å; A470-L474 WeakPolarHBondContact O-CB 3.36Å; A470-L474 VanDerWaalsContact O-CG 3.25Å; A470-L474 WeakPolarHBondContact O-CG 3.32Å; A470-L474 PolarHBondContact O-N 3.45Å
471A90.3Very high91Very high70 Ų7063.1 Ų63.158%0.57935%0.351SS*.Hα-helixtrans-62.7-38.6179.900000112.9D469 K475D469-A471 VanDerWaalsContact C-N 3.26Å; D469-A471 PolarHBondContact O-N 2.88Å; A471-K475 WeakPolarHBondContact O-CB 3.41Å; A471-K475 PolarHBondContact O-N 3.16Å
472S89.2Confident90.7Very high29 Ų2966.1 Ų66.120%0.20336%0.36CS..Hα-helixtrans-67.4-40.3176.233.20000112.3D469 A470 Y476D469-S472 PolarHBondContact O-N 3.47Å; D469-S472 PolarHBondContact O-OG 3.15Å; A470-S472 VanDerWaalsContact C-N 3.35Å; A470-S472 PolarHBondContact O-N 2.81Å; S472-Y476 WeakPolarHBondContact O-CB 3.47Å; S472-Y476 PolarHBondContact O-N 3.04Å
473V91.6Very high90.4Very high0 Ų072.7 Ų72.70%039%0.391CS..Hα-helixtrans-68.2-44.6178.6-179.50000110.8I462 Y466 D469 A470 K475 Y476 L477 F507 V509I462-V473 HydrophobicContact CD1-CG1 4.34Å; I462-V473 HydrophobicContact CG2-CB 3.95Å; I462-V473 HydrophobicContact CG2-CG1 3.97Å; Y466-V473 HydrophobicContact CD2-CG2 4.13Å; Y466-V473 HydrophobicContact CG-CG2 4.37Å; D469-V473 PolarHBondContact O-N 3.17Å; A470-V473 PolarHBondContact O-N 3.3Å; V473-K475 PolarHBondContact O-N 3.27Å; V473-Y476 PolarHBondContact O-N 3.04Å; V473-L477 HydrophobicContact CG1-CD1 3.94Å; V473-L477 HydrophobicContact CG1-CG 4.43Å; V473-L477 WeakPolarHBondContact O-CG 3.47Å; V473-L477 PolarHBondContact O-N 2.84Å; V473-F507 HydrophobicContact CG2-CB 4.07Å; V473-F507 HydrophobicContact CG2-CD1 4.01Å; V473-F507 HydrophobicContact CG2-CD2 3.7Å; V473-F507 HydrophobicContact CG2-CE1 4.37Å; V473-F507 HydrophobicContact CG2-CE2 4.09Å; V473-F507 HydrophobicContact CG2-CG 3.65Å; V473-F507 HydrophobicContact CG2-CZ 4.4Å; V473-V509 HydrophobicContact CG1-CG2 4.48Å
474L93.1Very high90.3Very high29 Ų2975.4 Ų75.415%0.15240%0.396CS..Hα-helixtrans-58-49.1175.6-70.5176.2000111.6P457 K459 I462 A470 Y476 L477 E478P457-L474 HydrophobicContact CB-CD2 3.61Å; P457-L474 HydrophobicContact CG-CD2 3.74Å; K459-L474 HydrophobicContact CG-CD1 4.17Å; K459-L474 HydrophobicContact CG-CD2 4.03Å; I462-L474 HydrophobicContact CB-CD2 4.21Å; I462-L474 HydrophobicContact CD1-CD2 3.71Å; I462-L474 HydrophobicContact CG2-CD2 4.06Å; I462-L474 HydrophobicContact CG2-CG 4.05Å; A470-L474 WeakPolarHBondContact O-CB 3.36Å; A470-L474 VanDerWaalsContact O-CG 3.25Å; A470-L474 WeakPolarHBondContact O-CG 3.32Å; A470-L474 PolarHBondContact O-N 3.45Å; L474-Y476 VanDerWaalsContact C-N 3.32Å; L474-Y476 PolarHBondContact O-N 3.43Å; L474-L477 PolarHBondContact O-N 3.07Å; L474-E478 WeakPolarHBondContact O-CB 3.26Å; L474-E478 VanDerWaalsContact O-CG 3.32Å; L474-E478 WeakPolarHBondContact O-CG 3.47Å; L474-E478 PolarHBondContact O-N 3.14Å
475K89.1Confident90.1Very high156 Ų15668.9 Ų68.968%0.67836%0.364SS*.Hα-helixtrans-62.9-38.8-180-174.3-180178.3-176.40112.2A471 V473 A479A471-K475 WeakPolarHBondContact O-CB 3.41Å; A471-K475 PolarHBondContact O-N 3.16Å; V473-K475 PolarHBondContact O-N 3.27Å; K475-A479 WeakPolarHBondContact O-CB 3.37Å; K475-A479 PolarHBondContact O-N 3.19Å
476Y90.7Very high90Very high84 Ų8466.4 Ų66.433%0.32936%0.357SS..Hα-helixtrans-62.5-52.5176.2177.6-89.8000111S472 V473 L474 E478 A479 M480 V500 N501 C502S472-Y476 WeakPolarHBondContact O-CB 3.47Å; S472-Y476 PolarHBondContact O-N 3.04Å; V473-Y476 PolarHBondContact O-N 3.04Å; L474-Y476 VanDerWaalsContact C-N 3.32Å; L474-Y476 PolarHBondContact O-N 3.43Å; Y476-E478 PolarHBondContact O-N 3.08Å; Y476-A479 PolarHBondContact O-N 2.91Å; Y476-M480 HydrophobicContact CE1-SD 4.39Å; Y476-M480 PolarHBondContact O-N 3.39Å; Y476-V500 HydrophobicContact CD1-CB 4.27Å; Y476-V500 HydrophobicContact CD1-CG2 4.31Å; Y476-V500 HydrophobicContact CE1-CB 3.71Å; Y476-V500 HydrophobicContact CE1-CG1 4Å; Y476-V500 HydrophobicContact CE1-CG2 4.25Å; Y476-N501 WeakPolarHBondContact CE2-O 3.33Å; Y476-C502 WeakPolarHBondContact CB-SG 3.39Å; Y476-C502 HydrophobicContact CD2-CB 4.46Å; Y476-C502 HydrophobicContact CG-CB 4.41Å
477L92.8Very high89.9Confident0 Ų070.1 Ų70.10%038%0.376CS..Hα-helixtrans-63.5-41.7-178.6-68.6174.1000112.4C455 P457 I462 V473 L474 A479 M480 L488 V509 C514C455-L477 WeakPolarHBondContact CB-O 3.37Å; P457-L477 HydrophobicContact CB-CB 4.18Å; P457-L477 HydrophobicContact CB-CD1 3.89Å; P457-L477 HydrophobicContact CG-CB 4.22Å; I462-L477 HydrophobicContact CD1-CD1 3.69Å; V473-L477 HydrophobicContact CG1-CD1 3.94Å; V473-L477 HydrophobicContact CG1-CG 4.43Å; V473-L477 WeakPolarHBondContact O-CG 3.47Å; V473-L477 PolarHBondContact O-N 2.84Å; L474-L477 PolarHBondContact O-N 3.07Å; L477-A479 PolarHBondContact O-N 3Å; L477-M480 HydrophobicContact CD2-SD 3.84Å; L477-M480 PolarHBondContact O-N 3.21Å; L477-L488 HydrophobicContact CD2-CD2 3.8Å; L477-V509 HydrophobicContact CD1-CG1 4.43Å; L477-V509 HydrophobicContact CD1-CG2 4.39Å; L477-V509 HydrophobicContact CD2-CG1 4.45Å; L477-V509 HydrophobicContact CD2-CG2 4.35Å; L477-C514 HydrophobicContact CD1-CB 4.29Å
478E91.4Very high89.9Confident110 Ų11060.5 Ų60.551%0.51434%0.34SS..Hα-helixtrans-68.1-19.5178.1-71.7174.7175.900113.6P457 L474 Y476P457-E478 HydrophobicContact CG-CG 3.64Å; L474-E478 WeakPolarHBondContact O-CB 3.26Å; L474-E478 VanDerWaalsContact O-CG 3.32Å; L474-E478 WeakPolarHBondContact O-CG 3.47Å; L474-E478 PolarHBondContact O-N 3.14Å; Y476-E478 PolarHBondContact O-N 3.08Å
479A87.8Confident89.9Confident78 Ų7858.2 Ų58.265%0.64531%0.314SS*.THydrogen-bonded Turntrans-97.9-0.9-176.500000114.3K475 Y476 L477K475-A479 WeakPolarHBondContact O-CB 3.37Å; K475-A479 PolarHBondContact O-N 3.19Å; Y476-A479 PolarHBondContact O-N 2.91Å; L477-A479 PolarHBondContact O-N 3Å
480M88.2Confident89.9Confident26 Ų2659.6 Ų59.613%0.12832%0.322CS..  trans-63.6145.1-177-74.5172.16100113C455 Y476 L477 E484 L488C455-M480 HydrophobicContact CB-SD 4.34Å; Y476-M480 HydrophobicContact CE1-SD 4.39Å; Y476-M480 PolarHBondContact O-N 3.39Å; L477-M480 HydrophobicContact CD2-SD 3.84Å; L477-M480 PolarHBondContact O-N 3.21Å; M480-E484 WeakPolarHBondContact CA-OE2 3.48Å; M480-E484 HydrophobicContact CB-CB 4.05Å; M480-E484 HydrophobicContact CE-CB 3.67Å; M480-E484 WeakPolarHBondContact CE-O 3.48Å; M480-E484 HydrophobicContact CG-CB 4.3Å; M480-L488 HydrophobicContact CE-CB 3.59Å; M480-L488 HydrophobicContact CE-CD2 3.6Å; M480-L488 HydrophobicContact CE-CG 4.22Å; M480-L488 HydrophobicContact SD-CD2 3.7Å
481S86.1Confident89.9Confident44 Ų4462.7 Ų62.731%0.30834%0.335SS..  trans-70.1168.6170.792.20000111.7E483 E484 C485S481-E483 VanDerWaalsContact C-N 3.32Å; S481-E483 VanDerWaalsContact CB-OE2 3.3Å; S481-E483 WeakPolarHBondContact CB-OE2 3.24Å; S481-E483 PolarHBondContact OG-N 2.95Å; S481-E483 PolarHBondContact OG-OE2 2.85Å; S481-E484 PolarHBondContact N-OE2 3.45Å; S481-E484 PolarHBondContact O-N 3.2Å; S481-E484 WeakPolarHBondContact OG-CG 3.4Å; S481-E484 PolarHBondContact OG-N 3.48Å; S481-E484 VanDerWaalsContact OG-N 3.13Å; S481-C485 WeakPolarHBondContact O-CB 3.46Å; S481-C485 PolarHBondContact O-N 3.3Å; S481-C485 PolarHBondContact O-SG 2.95Å
482E85.9Confident89.9Confident91 Ų9159.8 Ų59.843%0.42531%0.309SS..Hα-helixtrans-65.8-37.6176.2179.5158.1-140.700111.4T453 C485 T486T453-E482 PolarHBondContact N-OE1 3.32Å; T453-E482 PolarHBondContact OG1-OE1 3.38Å; E482-C485 PolarHBondContact O-N 3.08Å; E482-T486 PolarHBondContact O-N 3.21Å; E482-T486 PolarHBondContact O-OG1 3.3Å
483E88Confident90Very high139 Ų13963.4 Ų63.465%0.6533%0.326SS*.Hα-helixtrans-62.4-46.9173.9-56.580.6-174.400111S481 C485 T486 E487S481-E483 VanDerWaalsContact C-N 3.32Å; S481-E483 VanDerWaalsContact CB-OE2 3.3Å; S481-E483 WeakPolarHBondContact CB-OE2 3.24Å; S481-E483 PolarHBondContact OG-N 2.95Å; S481-E483 PolarHBondContact OG-OE2 2.85Å; E483-C485 VanDerWaalsContact C-N 3.34Å; E483-C485 PolarHBondContact O-N 3.46Å; E483-T486 WeakPolarHBondContact O-CB 3.32Å; E483-T486 PolarHBondContact O-N 2.82Å; E483-E487 PolarHBondContact O-N 3.12Å
484E89.8Confident89.9Confident85 Ų8571.7 Ų71.740%0.39736%0.362SS..Hα-helixtrans-63.8-39.7176.7-68.4176.6145.300111.5M480 S481 T486 E487 L488M480-E484 WeakPolarHBondContact CA-OE2 3.48Å; M480-E484 HydrophobicContact CB-CB 4.05Å; M480-E484 HydrophobicContact CE-CB 3.67Å; M480-E484 WeakPolarHBondContact CE-O 3.48Å; M480-E484 HydrophobicContact CG-CB 4.3Å; S481-E484 PolarHBondContact N-OE2 3.45Å; S481-E484 PolarHBondContact O-N 3.2Å; S481-E484 WeakPolarHBondContact OG-CG 3.4Å; S481-E484 PolarHBondContact OG-N 3.48Å; S481-E484 VanDerWaalsContact OG-N 3.13Å; E484-T486 VanDerWaalsContact C-N 3.31Å; E484-T486 PolarHBondContact O-N 3.01Å; E484-E487 PolarHBondContact O-N 2.91Å; E484-L488 WeakPolarHBondContact O-CB 3.33Å; E484-L488 PolarHBondContact O-N 3.4Å
485C90.2Very high89.6Confident0 Ų073.8 Ų73.80%038%0.383CS..Hα-helixtrans-61.4-41.6175.9-73.90000111.4C455 S481 E482 E483 A489 M516C455-C485 PolarHBondContact N-SG 3.27Å; C455-C485 VanDerWaalsContact N-SG 3.36Å; S481-C485 WeakPolarHBondContact O-CB 3.46Å; S481-C485 PolarHBondContact O-N 3.3Å; S481-C485 PolarHBondContact O-SG 2.95Å; E482-C485 PolarHBondContact O-N 3.08Å; E483-C485 VanDerWaalsContact C-N 3.34Å; E483-C485 PolarHBondContact O-N 3.46Å; C485-A489 WeakPolarHBondContact O-CB 3.39Å; C485-A489 PolarHBondContact O-N 2.66Å; C485-M516 HydrophobicContact CB-SD 3.57Å; C485-M516 VanDerWaalsContact CB-SD 3.57Å
486T89.4Confident89.5Confident70 Ų7068.1 Ų68.143%0.42937%0.37SS..Hα-helixtrans-66.1-46177.2-520000110.8E482 E483 E484 A489 D490E482-T486 PolarHBondContact O-N 3.21Å; E482-T486 PolarHBondContact O-OG1 3.3Å; E483-T486 WeakPolarHBondContact O-CB 3.32Å; E483-T486 PolarHBondContact O-N 2.82Å; E484-T486 VanDerWaalsContact C-N 3.31Å; E484-T486 PolarHBondContact O-N 3.01Å; T486-A489 PolarHBondContact O-N 2.98Å; T486-D490 PolarHBondContact O-N 2.98Å
487E90.8Very high89.4Confident113 Ų11367 Ų6753%0.52837%0.371SS..Hα-helixtrans-62.2-45.6177.7-179.5170.8-161.500112.1E483 E484 A489 D490 Q491E483-E487 PolarHBondContact O-N 3.12Å; E484-E487 PolarHBondContact O-N 2.91Å; E487-A489 VanDerWaalsContact C-N 3.34Å; E487-A489 PolarHBondContact O-N 3.3Å; E487-D490 PolarHBondContact O-N 2.89Å; E487-Q491 HydrophobicContact CG-CG 4.36Å; E487-Q491 WeakPolarHBondContact O-CB 3.47Å; E487-Q491 VanDerWaalsContact O-CG 3.25Å; E487-Q491 WeakPolarHBondContact O-CG 3.49Å; E487-Q491 PolarHBondContact O-N 3.14Å; E487-Q491 PolarHBondContact OE1-NE2 2.84Å; E487-Q491 VanDerWaalsContact OE1-NE2 3.12Å
488L91.6Very high89.4Confident8 Ų867.6 Ų67.64%0.04238%0.375CS..Hα-helixtrans-63.5-40.1177.6-179.163.8000111.7L477 M480 E484 Q491 L492 V498 V500 M516L477-L488 HydrophobicContact CD2-CD2 3.8Å; M480-L488 HydrophobicContact CE-CB 3.59Å; M480-L488 HydrophobicContact CE-CD2 3.6Å; M480-L488 HydrophobicContact CE-CG 4.22Å; M480-L488 HydrophobicContact SD-CD2 3.7Å; E484-L488 WeakPolarHBondContact O-CB 3.33Å; E484-L488 PolarHBondContact O-N 3.4Å; L488-Q491 PolarHBondContact O-N 3.22Å; L488-L492 HydrophobicContact CD1-CD1 4.02Å; L488-L492 HydrophobicContact CD1-CG 4.05Å; L488-L492 HydrophobicContact CD2-CD1 4.42Å; L488-L492 HydrophobicContact CG-CD1 3.82Å; L488-L492 HydrophobicContact CG-CG 4.28Å; L488-L492 WeakPolarHBondContact O-CB 3.3Å; L488-L492 VanDerWaalsContact O-CG 3.25Å; L488-L492 WeakPolarHBondContact O-CG 3.48Å; L488-L492 PolarHBondContact O-N 3.27Å; L488-V498 HydrophobicContact CD1-CB 3.84Å; L488-V498 HydrophobicContact CD1-CG1 3.81Å; L488-V498 HydrophobicContact CD1-CG2 4.07Å; L488-V500 HydrophobicContact CD1-CG1 4.47Å; L488-M516 HydrophobicContact CD2-CE 3.93Å; L488-M516 HydrophobicContact CG-CE 4.35Å
489A89.5Confident89.4Confident27 Ų2768.6 Ų68.622%0.22338%0.38CS..Hα-helixtrans-60.8-48.5175.900000111.4C485 T486 E487 Q491 L492 D493 M516C485-A489 WeakPolarHBondContact O-CB 3.39Å; C485-A489 PolarHBondContact O-N 2.66Å; T486-A489 PolarHBondContact O-N 2.98Å; E487-A489 VanDerWaalsContact C-N 3.34Å; E487-A489 PolarHBondContact O-N 3.3Å; A489-Q491 VanDerWaalsContact C-N 3.32Å; A489-Q491 PolarHBondContact O-N 3.4Å; A489-L492 PolarHBondContact O-N 2.84Å; A489-D493 WeakPolarHBondContact O-CB 3.4Å; A489-D493 PolarHBondContact O-N 2.96Å; A489-M516 HydrophobicContact CB-CG 3.79Å
490D90.7Very high89.5Confident84 Ų8465.3 Ų65.345%0.44935%0.352SS..Hα-helixtrans-60.8-40.8177.6-80.8-6.2000112.2T486 E487 K494T486-D490 PolarHBondContact O-N 2.98Å; E487-D490 PolarHBondContact O-N 2.89Å; D490-K494 WeakPolarHBondContact O-CD 3.42Å; D490-K494 WeakPolarHBondContact O-CG 3.4Å; D490-K494 PolarHBondContact O-N 2.74Å
491Q91.2Very high89.5Confident74 Ų7468.2 Ų68.235%0.34637%0.368SS..Hα-helixtrans-70.6-41.4179.1-70.8179.68.600111.8E487 L488 A489 D493 K494 A495 V498E487-Q491 HydrophobicContact CG-CG 4.36Å; E487-Q491 WeakPolarHBondContact O-CB 3.47Å; E487-Q491 VanDerWaalsContact O-CG 3.25Å; E487-Q491 WeakPolarHBondContact O-CG 3.49Å; E487-Q491 PolarHBondContact O-N 3.14Å; E487-Q491 PolarHBondContact OE1-NE2 2.84Å; E487-Q491 VanDerWaalsContact OE1-NE2 3.12Å; L488-Q491 PolarHBondContact O-N 3.22Å; A489-Q491 VanDerWaalsContact C-N 3.32Å; A489-Q491 PolarHBondContact O-N 3.4Å; Q491-D493 VanDerWaalsContact C-N 3.34Å; Q491-D493 PolarHBondContact O-N 2.72Å; Q491-K494 PolarHBondContact O-N 2.77Å; Q491-A495 WeakPolarHBondContact O-CB 3.2Å; Q491-A495 PolarHBondContact O-N 3.39Å; Q491-V498 HydrophobicContact CB-CG2 3.42Å; Q491-V498 VanDerWaalsContact CB-CG2 3.42Å
492L91.7Very high89.2Confident8 Ų866.2 Ų66.24%0.04235%0.354CS..Hα-helixtrans-66.1-34.9176.3-74.7172.1000112.4L488 A489 K494 G496 V498 V509L488-L492 HydrophobicContact CD1-CD1 4.02Å; L488-L492 HydrophobicContact CD1-CG 4.05Å; L488-L492 HydrophobicContact CD2-CD1 4.42Å; L488-L492 HydrophobicContact CG-CD1 3.82Å; L488-L492 HydrophobicContact CG-CG 4.28Å; L488-L492 WeakPolarHBondContact O-CB 3.3Å; L488-L492 VanDerWaalsContact O-CG 3.25Å; L488-L492 WeakPolarHBondContact O-CG 3.48Å; L488-L492 PolarHBondContact O-N 3.27Å; A489-L492 PolarHBondContact O-N 2.84Å; L492-K494 VanDerWaalsContact C-N 3.35Å; L492-G496 WeakPolarHBondContact O-CA 3.42Å; L492-G496 PolarHBondContact O-N 2.84Å; L492-V498 HydrophobicContact CD2-CB 4.27Å; L492-V498 HydrophobicContact CD2-CG2 3.85Å; L492-V498 HydrophobicContact CG-CG2 3.95Å; L492-V509 WeakPolarHBondContact CD2-O 3.45Å
493D89.7Confident88.7Confident105 Ų10569.3 Ų69.356%0.56137%0.373SS*.Hα-helixtrans-69.9-31.3176.1-82.7-17.9000112.8A489 Q491 K511A489-D493 WeakPolarHBondContact O-CB 3.4Å; A489-D493 PolarHBondContact O-N 2.96Å; Q491-D493 VanDerWaalsContact C-N 3.34Å; Q491-D493 PolarHBondContact O-N 2.72Å; D493-K511 IonicContact OD1-NZ 2.68Å; D493-K511 PolarHBondContact OD1-NZ 2.82Å
494K89.9Confident88.3Confident175 Ų17565.8 Ų65.876%0.76137%0.374SS*.Hα-helixtrans-83.3-45.6178.3-70.3169.3-171.1163.90113.3D490 Q491 L492D490-K494 WeakPolarHBondContact O-CD 3.42Å; D490-K494 WeakPolarHBondContact O-CG 3.4Å; D490-K494 PolarHBondContact O-N 2.74Å; Q491-K494 PolarHBondContact O-N 2.77Å; L492-K494 VanDerWaalsContact C-N 3.35Å
495A87.5Confident88.2Confident72 Ų7266.9 Ų66.960%0.59538%0.378SS*.Hα-helixtrans-107.7-13.7-169.100000113.9Q491 T497Q491-A495 WeakPolarHBondContact O-CB 3.2Å; Q491-A495 PolarHBondContact O-N 3.39Å; A495-T497 PolarHBondContact O-N 2.81Å
496G85.7Confident88.2Confident38 Ų3870 Ų7039%0.39240%0.399SS..SBendtrans72.7-23.8-175.700000114.7L492 T510 K511L492-G496 WeakPolarHBondContact O-CA 3.42Å; L492-G496 PolarHBondContact O-N 2.84Å; G496-T510 WeakPolarHBondContact O-CA 3.29Å; G496-K511 PolarHBondContact O-N 2.86Å
497T90.7Very high88.4Confident59 Ų5967.4 Ų67.436%0.36238%0.382SS..EExtended strand (participates in β ladder)trans-143.2144.8175.1-167.20000111.6A495 V509A495-T497 PolarHBondContact O-N 2.81Å; T497-V509 CarbonylContact C-O 3.49Å; T497-V509 WeakPolarHBondContact CA-O 2.99Å; T497-V509 PolarHBondContact OG1-O 3.01Å
498V92.3Very high88.5Confident14 Ų1466 Ų669%0.08538%0.378CS..EExtended strand (participates in β ladder)trans-132.3132.8-179.81760000108.9L488 Q491 L492 V500 N508 V509L488-V498 HydrophobicContact CD1-CB 3.84Å; L488-V498 HydrophobicContact CD1-CG1 3.81Å; L488-V498 HydrophobicContact CD1-CG2 4.07Å; Q491-V498 HydrophobicContact CB-CG2 3.42Å; Q491-V498 VanDerWaalsContact CB-CG2 3.42Å; L492-V498 HydrophobicContact CD2-CB 4.27Å; L492-V498 HydrophobicContact CD2-CG2 3.85Å; L492-V498 HydrophobicContact CG-CG2 3.95Å; V498-V500 HydrophobicContact CG1-CG1 4.31Å; V498-N508 CarbonylContact O-C 3.54Å; V498-V509 PolarHBondContact N-O 3.45Å; V498-V509 PolarHBondContact O-N 3.23Å
499E91.3Very high88.5Confident130 Ų13065.6 Ų65.661%0.60738%0.376SS*.EExtended strand (participates in β ladder)trans-81.5120.7172.2-170.4177.786.300109.7C506 F507E499-C506 VanDerWaalsContact CD-CB 3.44Å; E499-C506 HydrophobicContact CG-CB 3.64Å; E499-C506 PolarHBondContact OE1-SG 3.43Å; E499-C506 VanDerWaalsContact OE1-SG 3.37Å; E499-F507 CarbonylContact C-O 3.58Å; E499-F507 WeakPolarHBondContact CA-O 3.33Å
500V89.7Confident88.7Confident9 Ų966.3 Ų66.36%0.05538%0.378CS..EExtended strand (participates in β ladder)trans-110.5139.5175.6-56.90000109.9Y476 L488 V498 C506 F507 V509Y476-V500 HydrophobicContact CD1-CB 4.27Å; Y476-V500 HydrophobicContact CD1-CG2 4.31Å; Y476-V500 HydrophobicContact CE1-CB 3.71Å; Y476-V500 HydrophobicContact CE1-CG1 4Å; Y476-V500 HydrophobicContact CE1-CG2 4.25Å; L488-V500 HydrophobicContact CD1-CG1 4.47Å; V498-V500 HydrophobicContact CG1-CG1 4.31Å; V500-C506 CarbonylContact O-C 3.59Å; V500-C506 WeakPolarHBondContact O-CA 3.37Å; V500-F507 HydrophobicContact CG2-CB 4.2Å; V500-F507 PolarHBondContact N-O 2.79Å; V500-F507 PolarHBondContact O-N 2.84Å; V500-V509 HydrophobicContact CB-CG2 4.36Å; V500-V509 HydrophobicContact CG1-CB 4.41Å; V500-V509 HydrophobicContact CG1-CG2 3.89Å; V500-V509 HydrophobicContact CG2-CG2 3.51Å
501N86.8Confident88.7Confident87 Ų8768 Ų6847%0.46538%0.381SS..EExtended strand (participates in β ladder)trans-96.9106.2176.5-173.9-17.6000110.1Y476 G504 K505Y476-N501 WeakPolarHBondContact CE2-O 3.33Å; N501-G504 WeakPolarHBondContact OD1-CA 3.37Å; N501-G504 PolarHBondContact OD1-N 3.18Å; N501-K505 CarbonylContact C-O 3.57Å; N501-K505 WeakPolarHBondContact CA-O 3.16Å; N501-K505 PolarHBondContact OD1-N 3.27Å
502C81.9Confident88.7Confident2 Ų271.9 Ų71.91%0.01440%0.399CS..EExtended strand (participates in β ladder)trans-104.3109.5175.2-47.40000109.6Y476 G504 K505 F507Y476-C502 WeakPolarHBondContact CB-SG 3.39Å; Y476-C502 HydrophobicContact CD2-CB 4.46Å; Y476-C502 HydrophobicContact CG-CB 4.41Å; C502-G504 VanDerWaalsContact C-N 3.3Å; C502-G504 PolarHBondContact O-N 2.8Å; C502-K505 PolarHBondContact N-O 2.83Å; C502-K505 PolarHBondContact O-N 2.95Å; C502-K505 VanDerWaalsContact O-N 3.17Å; C502-F507 HydrophobicContact CB-CD2 3.84Å; C502-F507 HydrophobicContact CB-CE2 3.79Å
503N74.3Confident88.7Confident156 Ų15672.3 Ų72.383%0.83440%0.401SS*.THydrogen-bonded Turntrans54.939176.9-59.3-24.8000114.3
504G80.2Confident88.9Confident65 Ų6567.7 Ų67.767%0.6738%0.377SS*.THydrogen-bonded Turntrans86.92.1178.600000114.7N501 C502N501-G504 WeakPolarHBondContact OD1-CA 3.37Å; N501-G504 PolarHBondContact OD1-N 3.18Å; C502-G504 VanDerWaalsContact C-N 3.3Å; C502-G504 PolarHBondContact O-N 2.8Å
505K86.8Confident89Confident108 Ų10865.8 Ų65.847%0.4737%0.365SS..EExtended strand (participates in β ladder)trans-112.8133.5172.5-67.4-175.9-177.7-177.60110.1D469 N501 C502 F507D469-K505 IonicContact OD1-NZ 3.39Å; D469-K505 PolarHBondContact OD1-NZ 3.49Å; D469-K505 IonicContact OD2-NZ 2.8Å; N501-K505 CarbonylContact C-O 3.57Å; N501-K505 WeakPolarHBondContact CA-O 3.16Å; N501-K505 PolarHBondContact OD1-N 3.27Å; C502-K505 PolarHBondContact N-O 2.83Å; C502-K505 PolarHBondContact O-N 2.95Å; C502-K505 VanDerWaalsContact O-N 3.17Å; K505-F507 HydrophobicContact CB-CD2 4.39Å; K505-F507 HydrophobicContact CB-CE2 3.52Å; K505-F507 HydrophobicContact CB-CZ 3.67Å; K505-F507 HydrophobicContact CD-CE2 4.47Å; K505-F507 HydrophobicContact CD-CZ 3.89Å; K505-F507 HydrophobicContact CG-CZ 4.49Å; K505-F507 WeakPolarHBondContact O-CD2 3.12Å; K505-F507 WeakPolarHBondContact O-CE2 3.4Å
506C90.3Very high89.3Confident67 Ų6764.8 Ų64.845%0.45335%0.348SS..EExtended strand (participates in β ladder)trans-86.6136.3175.7-69.40000111.8E499 V500E499-C506 VanDerWaalsContact CD-CB 3.44Å; E499-C506 HydrophobicContact CG-CB 3.64Å; E499-C506 PolarHBondContact OE1-SG 3.43Å; E499-C506 VanDerWaalsContact OE1-SG 3.37Å; V500-C506 CarbonylContact O-C 3.59Å; V500-C506 WeakPolarHBondContact O-CA 3.37Å
507F92.9Very high89.5Confident15 Ų1565.5 Ų65.57%0.06634%0.342CS..EExtended strand (participates in β ladder)trans-134.5140.9178.9-59.7-79.8000110.7Y466 D469 V473 E499 V500 C502 K505 V509Y466-F507 AromaticContact CD1-CD1 3.54Å; Y466-F507 HydrophobicContact CD1-CD1 3.54Å; Y466-F507 HydrophobicContact CD1-CE1 4.09Å; Y466-F507 HydrophobicContact CE1-CB 4.14Å; Y466-F507 AromaticContact CE1-CD1 3.6Å; Y466-F507 HydrophobicContact CE1-CD1 3.6Å; Y466-F507 HydrophobicContact CE1-CG 4.34Å; Y466-F507 HydrophobicContact CG-CD1 4.19Å; D469-F507 HydrophobicContact CB-CE1 3.62Å; D469-F507 HydrophobicContact CB-CZ 3.64Å; V473-F507 HydrophobicContact CG2-CB 4.07Å; V473-F507 HydrophobicContact CG2-CD1 4.01Å; V473-F507 HydrophobicContact CG2-CD2 3.7Å; V473-F507 HydrophobicContact CG2-CE1 4.37Å; V473-F507 HydrophobicContact CG2-CE2 4.09Å; V473-F507 HydrophobicContact CG2-CG 3.65Å; V473-F507 HydrophobicContact CG2-CZ 4.4Å; E499-F507 CarbonylContact C-O 3.58Å; E499-F507 WeakPolarHBondContact CA-O 3.33Å; V500-F507 HydrophobicContact CG2-CB 4.2Å; V500-F507 PolarHBondContact N-O 2.79Å; V500-F507 PolarHBondContact O-N 2.84Å; C502-F507 HydrophobicContact CB-CD2 3.84Å; C502-F507 HydrophobicContact CB-CE2 3.79Å; K505-F507 HydrophobicContact CB-CD2 4.39Å; K505-F507 HydrophobicContact CB-CE2 3.52Å; K505-F507 HydrophobicContact CB-CZ 3.67Å; K505-F507 HydrophobicContact CD-CE2 4.47Å; K505-F507 HydrophobicContact CD-CZ 3.89Å; K505-F507 HydrophobicContact CG-CZ 4.49Å; K505-F507 WeakPolarHBondContact O-CD2 3.12Å; K505-F507 WeakPolarHBondContact O-CE2 3.4Å; F507-V509 PolarHBondContact O-N 2.82Å
508N92.8Very high89.5Confident82 Ų8268 Ų6844%0.43936%0.359SS..EExtended strand (participates in β ladder)trans-89.8104.9179-71.3-28.3000111.5Y466 V498Y466-N508 WeakPolarHBondContact OH-CA 3.07Å; Y466-N508 PolarHBondContact OH-N 3.5Å; Y466-N508 PolarHBondContact OH-O 3.25Å; V498-N508 CarbonylContact O-C 3.54Å
509V92.9Very high89.4Confident0 Ų069.9 Ų69.90%037%0.366CS..EExtended strand (participates in β ladder)trans-85.5133.2174.6179.60000108.4V473 L477 L492 T497 V498 V500 F507 M513 C514V473-V509 HydrophobicContact CG1-CG2 4.48Å; L477-V509 HydrophobicContact CD1-CG1 4.43Å; L477-V509 HydrophobicContact CD1-CG2 4.39Å; L477-V509 HydrophobicContact CD2-CG1 4.45Å; L477-V509 HydrophobicContact CD2-CG2 4.35Å; L492-V509 WeakPolarHBondContact CD2-O 3.45Å; T497-V509 CarbonylContact C-O 3.49Å; T497-V509 WeakPolarHBondContact CA-O 2.99Å; T497-V509 PolarHBondContact OG1-O 3.01Å; V498-V509 PolarHBondContact N-O 3.45Å; V498-V509 PolarHBondContact O-N 3.23Å; V500-V509 HydrophobicContact CB-CG2 4.36Å; V500-V509 HydrophobicContact CG1-CB 4.41Å; V500-V509 HydrophobicContact CG1-CG2 3.89Å; V500-V509 HydrophobicContact CG2-CG2 3.51Å; F507-V509 PolarHBondContact O-N 2.82Å; V509-M513 HydrophobicContact CG1-CB 4.23Å; V509-C514 VanDerWaalsContact CG1-SG 3.53Å
510T93.3Very high89.4Confident43 Ų4367 Ų6726%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-112.5165.9175.166.60000110.7G496 E512 M513G496-T510 WeakPolarHBondContact O-CA 3.29Å; T510-E512 PolarHBondContact O-N 3.11Å; T510-E512 VanDerWaalsContact O-N 3.14Å; T510-M513 HydrophobicContact CG2-CE 4.48Å; T510-M513 WeakPolarHBondContact O-CB 3.41Å; T510-M513 PolarHBondContact O-N 2.64Å; T510-M513 WeakPolarHBondContact OG1-CG 3.23Å
511K90.7Very high89.4Confident118 Ų11871.9 Ų71.951%0.51338%0.381SS..THydrogen-bonded Turntrans-57.8-27.4178.9-170.3166.6-178.7161.50113.8D493 G496 M513 C514D493-K511 IonicContact OD1-NZ 2.68Å; D493-K511 PolarHBondContact OD1-NZ 2.82Å; G496-K511 PolarHBondContact O-N 2.86Å; K511-M513 VanDerWaalsContact C-N 3.31Å; K511-C514 VanDerWaalsContact O-O 3.05Å
512E90.3Very high89.6Confident157 Ų15773 Ų7373%0.73439%0.386SS*.THydrogen-bonded Turntrans-79.2-14177-50.1-61.5-179.900113.1T510T510-E512 PolarHBondContact O-N 3.11Å; T510-E512 VanDerWaalsContact O-N 3.14Å
513M93.5Very high90Very high16 Ų1674.3 Ų74.38%0.07939%0.394CS..THydrogen-bonded Turntrans-90.9-17.9-177.5-69.6-179.9-175.500113.4P457 D458 A461 I462 Q465 Y466 V509 T510 K511P457-M513 CarbonylContact C-O 3.49Å; P457-M513 WeakPolarHBondContact CA-O 3.25Å; D458-M513 PolarHBondContact N-O 3.41Å; A461-M513 HydrophobicContact CB-CG 4.2Å; I462-M513 HydrophobicContact CD1-CB 4.32Å; I462-M513 WeakPolarHBondContact CD1-O 3.49Å; I462-M513 HydrophobicContact CG1-CB 3.93Å; I462-M513 HydrophobicContact CG1-CG 4.17Å; I462-M513 HydrophobicContact CG1-SD 4.42Å; Q465-M513 HydrophobicContact CB-CE 3.93Å; Q465-M513 HydrophobicContact CG-CE 3.78Å; Y466-M513 HydrophobicContact CE2-CE 4.31Å; Y466-M513 HydrophobicContact CE2-SD 3.99Å; V509-M513 HydrophobicContact CG1-CB 4.23Å; T510-M513 HydrophobicContact CG2-CE 4.48Å; T510-M513 WeakPolarHBondContact O-CB 3.41Å; T510-M513 PolarHBondContact O-N 2.64Å; T510-M513 WeakPolarHBondContact OG1-CG 3.23Å; K511-M513 VanDerWaalsContact C-N 3.31Å
514C93.2Very high90.8Very high9 Ų972.3 Ų72.36%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-157.2153.4178.262.20000112.4C455 V456 L477 V509 K511C455-C514 VanDerWaalsContact SG-CB 3.56Å; V456-C514 WeakPolarHBondContact O-CA 3.43Å; L477-C514 HydrophobicContact CD1-CB 4.29Å; V509-C514 VanDerWaalsContact CG1-SG 3.53Å; K511-C514 VanDerWaalsContact O-O 3.05Å
515R92.2Very high91.4Very high135 Ų13571.1 Ų71.151%0.50936%0.359SS..EExtended strand (participates in β ladder)trans-133.9148.217463.4-175.7-172.6-96.2-5.6111.2V456 E517V456-R515 HydrophobicContact CB-CG 4.13Å; V456-R515 PolarHBondContact N-O 2.75Å; V456-R515 PolarHBondContact O-N 2.83Å; R515-E517 HydrophobicContact CG-CG 4.26Å; R515-E517 IonicContact CZ-OE1 2.77Å; R515-E517 IonicContact NE-OE1 3.3Å; R515-E517 PolarHBondContact NE-OE1 3.11Å; R515-E517 IonicContact NH2-OE1 3.22Å; R515-E517 PolarHBondContact NH2-OE1 3.22Å
516M92.7Very high91.6Very high50 Ų5070.9 Ų70.925%0.24636%0.359CS..EExtended strand (participates in β ladder)trans-86.6125.4171.8-60.1-49.2132.500109.7T453 R454 C455 C485 L488 A489T453-M516 HydrophobicContact CG2-CB 3.83Å; R454-M516 WeakPolarHBondContact O-CA 3.43Å; C455-M516 VanDerWaalsContact CA-SD 3.59Å; C455-M516 HydrophobicContact CB-CE 3.65Å; C455-M516 HydrophobicContact CB-SD 3.7Å; C455-M516 VanDerWaalsContact SG-CE 3.53Å; C485-M516 HydrophobicContact CB-SD 3.57Å; C485-M516 VanDerWaalsContact CB-SD 3.57Å; L488-M516 HydrophobicContact CD2-CE 3.93Å; L488-M516 HydrophobicContact CG-CE 4.35Å; A489-M516 HydrophobicContact CB-CG 3.79Å
517E91Very high91.7Very high54 Ų5472 Ų7225%0.25236%0.358SS..EExtended strand (participates in β ladder)trans-122.5136.7175.2-69.9-175.4173.700110.4R454 V456 R515 F519R454-E517 PolarHBondContact N-O 3.27Å; R454-E517 IonicContact NH2-OE2 3.81Å; R454-E517 PolarHBondContact O-N 3.11Å; V456-E517 HydrophobicContact CG2-CB 4.08Å; V456-E517 HydrophobicContact CG2-CG 4Å; V456-E517 WeakPolarHBondContact CG2-OE2 3.3Å; R515-E517 HydrophobicContact CG-CG 4.26Å; R515-E517 IonicContact CZ-OE1 2.77Å; R515-E517 IonicContact NE-OE1 3.3Å; R515-E517 PolarHBondContact NE-OE1 3.11Å; R515-E517 IonicContact NH2-OE1 3.22Å; R515-E517 PolarHBondContact NH2-OE1 3.22Å; E517-F519 PolarHBondContact O-N 3.18Å
518P90.7Very high91.7Very high112 Ų11273.1 Ų73.173%0.72736%0.363SS*.EExtended strand (participates in β ladder)trans-65.6136.4164.829.7-33000108.9G452G452-P518 CarbonylContact O-C 3.56Å; G452-P518 WeakPolarHBondContact O-CA 3.37Å
519F90.8Very high91.8Very high53 Ų5371.1 Ų71.123%0.23235%0.353CS..EExtended strand (participates in β ladder)trans-118.4155170.774.7-88.3000110.2T451 G452 R454 E517 K521T451-F519 VanDerWaalsContact CA-O 3.28Å; T451-F519 WeakPolarHBondContact CA-O 3.46Å; G452-F519 VanDerWaalsContact C-CE1 3.46Å; G452-F519 PolarHBondContact N-O 2.83Å; G452-F519 VanDerWaalsContact N-O 3.15Å; G452-F519 WeakPolarHBondContact O-CD1 3.36Å; G452-F519 PolarHBondContact O-N 3.16Å; R454-F519 HydrophobicContact CB-CD1 3.76Å; R454-F519 HydrophobicContact CB-CE1 4.13Å; R454-F519 HydrophobicContact CG-CB 4.35Å; R454-F519 HydrophobicContact CG-CD1 3.84Å; R454-F519 HydrophobicContact CG-CG 4.45Å; E517-F519 PolarHBondContact O-N 3.18Å; F519-K521 HydrophobicContact CD2-CG 4.33Å; F519-K521 HydrophobicContact CE2-CD 4.11Å; F519-K521 HydrophobicContact CE2-CG 4.07Å
520S90.3Very high91.9Very high69 Ų6971.2 Ų71.248%0.48335%0.354SS..EExtended strand (participates in β ladder)trans-133.6121.1169.7167.30000107.5K449 V450K449-S520 WeakPolarHBondContact CE-OG 3.35Å; V450-S520 WeakPolarHBondContact O-CA 3.28Å
521K89.8Confident92Very high112 Ų11269.6 Ų69.649%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-121.9139.8172.166.2-179-177.9-178.30109.9V450 F519 V523V450-K521 HydrophobicContact CB-CG 4.09Å; V450-K521 PolarHBondContact N-O 2.82Å; V450-K521 PolarHBondContact O-N 2.94Å; F519-K521 HydrophobicContact CD2-CG 4.33Å; F519-K521 HydrophobicContact CE2-CD 4.11Å; F519-K521 HydrophobicContact CE2-CG 4.07Å; K521-V523 HydrophobicContact CD-CG1 4.09Å; K521-V523 HydrophobicContact CG-CG1 4.02Å
522I90.7Very high92.3Very high110 Ų11064 Ų6456%0.56432%0.32SS*.EExtended strand (participates in β ladder)trans-87.8118.6169-61175.7000106.2P447P447-I522 HydrophobicContact CB-CG2 3.41Å; P447-I522 VanDerWaalsContact CB-CG2 3.41Å
523V89.8Confident92.6Very high30 Ų3056.5 Ų56.518%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-99.7129.9173.6-59.30000109.2L444 P447 K448 V450 K521L444-V523 HydrophobicContact CD1-CG2 3.91Å; P447-V523 CarbonylContact C-O 3.5Å; P447-V523 WeakPolarHBondContact CA-O 3.41Å; K448-V523 HydrophobicContact CB-CG2 3.82Å; K448-V523 PolarHBondContact N-O 2.87Å; K448-V523 WeakPolarHBondContact O-CG2 3.38Å; K448-V523 PolarHBondContact O-N 2.97Å; V450-V523 HydrophobicContact CG2-CG1 4.12Å; V450-V523 HydrophobicContact CG2-CG2 3.74Å; K521-V523 HydrophobicContact CD-CG1 4.09Å; K521-V523 HydrophobicContact CG-CG1 4.02Å
524H92.7Very high92.7Very high114 Ų11456.3 Ų56.353%0.52828%0.284SS..EExtended strand (participates in β ladder)trans-98-14.3176.3-67.7-91.9000112.2L444L444-H524 PolarHBondContact N-O 2.77Å
525V92.2Very high93Very high40 Ų4056 Ų5624%0.24228%0.281CS..EExtended strand (participates in β ladder)trans-132.2147.6-178.8-62.90000109.7E441 K442 H443E441-V525 HydrophobicContact CB-CB 4.4Å; K442-V525 CarbonylContact O-C 3.56Å; K442-V525 VanDerWaalsContact O-CA 3.27Å; K442-V525 WeakPolarHBondContact O-CA 3.37Å; H443-V525 WeakPolarHBondContact ND1-CG1 3.4Å
526E90.3Very high93.2Very high103 Ų10351 Ų5148%0.48127%0.267SS..EExtended strand (participates in β ladder)trans-101.6121166.2178.7170.2-149.200108.3E441 K442 L444E441-E526 WeakPolarHBondContact CA-O 3.48Å; K442-E526 PolarHBondContact N-O 2.92Å; K442-E526 PolarHBondContact O-N 3.06Å; L444-E526 HydrophobicContact CD2-CB 3.99Å; L444-E526 HydrophobicContact CG-CB 4.44Å
527E92.5Very high93.5Very high91 Ų9148.6 Ų48.643%0.42526%0.255SS..EExtended strand (participates in β ladder)trans-86.5133.3171.8-69.8-179.3-173.600108.7K437 V439 A440 E441K437-E527 VanDerWaalsContact NZ-CD 3.26Å; K437-E527 IonicContact NZ-OE1 2.66Å; K437-E527 PolarHBondContact NZ-OE1 2.85Å; K437-E527 IonicContact NZ-OE2 2.76Å; K437-E527 PolarHBondContact NZ-OE2 3.26Å; V439-E527 HydrophobicContact CG2-CB 4.19Å; V439-E527 HydrophobicContact CG2-CG 4.21Å; A440-E527 WeakPolarHBondContact O-CA 3.19Å; E441-E527 HydrophobicContact CG-CG 4.22Å
528F93.5Very high93.8Very high38 Ų3846.8 Ų46.817%0.16725%0.251CS..EExtended strand (participates in β ladder)trans-147.2157.5174.866.7-81.5000111.1L277 D314 P315 V439 A440 K442L277-F528 HydrophobicContact CD1-CE2 3.84Å; L277-F528 HydrophobicContact CD1-CZ 3.55Å; D314-F528 HydrophobicContact CB-CE2 4.18Å; D314-F528 HydrophobicContact CB-CZ 4.25Å; P315-F528 HydrophobicContact CG-CD2 4.31Å; V439-F528 WeakPolarHBondContact CB-O 3.46Å; A440-F528 HydrophobicContact CB-CE1 4.09Å; A440-F528 HydrophobicContact CB-CE2 4.18Å; A440-F528 HydrophobicContact CB-CZ 3.85Å; A440-F528 PolarHBondContact N-O 2.96Å; A440-F528 PolarHBondContact O-N 3.12Å; K442-F528 HydrophobicContact CB-CD1 4.42Å; K442-F528 HydrophobicContact CB-CE1 3.85Å
529V94.4Very high94.2Very high40 Ų4041.5 Ų41.524%0.24222%0.217CC..PPolyproline II helixtrans-86.5122.9173.4179.70000108P315 C424 L427 L428 V439P315-V529 WeakPolarHBondContact CG-O 3.28Å; C424-V529 HydrophobicContact CB-CG1 4.12Å; L427-V529 HydrophobicContact CB-CG1 4.43Å; L428-V529 HydrophobicContact CD2-CG2 3.67Å; L428-V529 HydrophobicContact CG-CG1 4.14Å; L428-V529 HydrophobicContact CG-CG2 4.11Å; V439-V529 HydrophobicContact CG1-CG2 4.13Å
530P95.4Very high94.5Very high1 Ų139.2 Ų39.21%0.00621%0.209CC..PPolyproline II helixtrans-63.6156.4178.528.1-34.8000111.4F266 L277 F312 V313 C424 L427F266-P530 HydrophobicContact CE2-CG 3.84Å; F266-P530 HydrophobicContact CZ-CG 3.72Å; L277-P530 HydrophobicContact CD1-CB 4.33Å; F312-P530 HydrophobicContact CB-CB 4.29Å; F312-P530 HydrophobicContact CD1-CB 4.39Å; F312-P530 HydrophobicContact CD1-CG 4Å; V313-P530 CarbonylContact O-C 3.6Å; V313-P530 VanDerWaalsContact O-CA 3.27Å; V313-P530 WeakPolarHBondContact O-CA 3.19Å; V313-P530 VanDerWaalsContact O-CB 3.3Å; V313-P530 WeakPolarHBondContact O-CB 3.43Å; C424-P530 WeakPolarHBondContact CB-O 3.36Å; L427-P530 HydrophobicContact CD1-CG 3.62Å
531S95.3Very high94.8Very high9 Ų939.4 Ų39.46%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-86.1165.8159.4-66.60000109F312 V313 P315F312-S531 WeakPolarHBondContact CA-O 3.38Å; V313-S531 PolarHBondContact N-O 2.93Å; V313-S531 PolarHBondContact O-N 3.12Å; P315-S531 WeakPolarHBondContact CA-OG 3.21Å; P315-S531 WeakPolarHBondContact CB-OG 3.29Å; P315-S531 WeakPolarHBondContact CG-OG 3.39Å
532V96.5Very high95.3Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-137.2135-179.162.40000110.5F263 E310 H311 F312 R422 C424 E534F263-V532 HydrophobicContact CE1-CG1 4.45Å; F263-V532 HydrophobicContact CE1-CG2 4.48Å; E310-V532 HydrophobicContact CB-CG2 4.05Å; E310-V532 VanDerWaalsContact OE2-CG2 3.25Å; E310-V532 WeakPolarHBondContact OE2-CG2 3.29Å; H311-V532 WeakPolarHBondContact O-CA 3.42Å; F312-V532 HydrophobicContact CD1-CB 4.22Å; F312-V532 HydrophobicContact CD1-CG2 4.16Å; F312-V532 HydrophobicContact CE1-CB 4.35Å; F312-V532 HydrophobicContact CE1-CG2 4.11Å; R422-V532 HydrophobicContact CB-CG1 4.17Å; R422-V532 PolarHBondContact N-O 2.74Å; R422-V532 PolarHBondContact O-N 3.46Å; C424-V532 HydrophobicContact CB-CG1 4.2Å; V532-E534 HydrophobicContact CB-CG 4.35Å; V532-E534 HydrophobicContact CG1-CG 3.93Å; V532-E534 WeakPolarHBondContact CG1-OE1 3.49Å; V532-E534 HydrophobicContact CG2-CG 3.77Å
533I97.6Very high95.6Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-102.3125.6169-53.4-57.9000108H311 T363 L364 Y367 A420 D421 P535H311-I533 HydrophobicContact CB-CB 4.29Å; H311-I533 PolarHBondContact N-O 3.32Å; H311-I533 PolarHBondContact O-N 3.03Å; T363-I533 HydrophobicContact CG2-CB 4.24Å; T363-I533 HydrophobicContact CG2-CG1 3.63Å; L364-I533 HydrophobicContact CB-CD1 4.43Å; L364-I533 HydrophobicContact CD1-CG2 4.11Å; Y367-I533 HydrophobicContact CD2-CB 4.36Å; Y367-I533 HydrophobicContact CD2-CG2 3.78Å; Y367-I533 HydrophobicContact CG-CG2 4.48Å; A420-I533 CarbonylContact O-C 3.57Å; A420-I533 WeakPolarHBondContact O-CA 3.45Å; D421-I533 HydrophobicContact CB-CD1 3.48Å; D421-I533 VanDerWaalsContact CB-CD1 3.48Å; D421-I533 VanDerWaalsContact CG-CD1 3.45Å; D421-I533 WeakPolarHBondContact OD1-CD1 3.05Å; I533-P535 WeakPolarHBondContact O-CD 3.46Å
534E96Very high96Very high13 Ų1327.4 Ų27.46%0.06114%0.14CC..EExtended strand (participates in β ladder)trans-124.685.1-165.3-53.2-171.9-170.600112.9F263 V309 E310 I419 A420 R422 V532F263-E534 WeakPolarHBondContact CZ-OE1 3.44Å; V309-E534 WeakPolarHBondContact O-CA 3.47Å; E310-E534 VanDerWaalsContact OE2-CD 3.27Å; E310-E534 WeakPolarHBondContact OE2-CG 3.44Å; I419-E534 WeakPolarHBondContact CA-O 3.38Å; A420-E534 PolarHBondContact N-O 3.36Å; A420-E534 PolarHBondContact O-N 3.04Å; R422-E534 WeakPolarHBondContact CD-OE1 3.28Å; R422-E534 WeakPolarHBondContact CD-OE2 3.3Å; R422-E534 IonicContact CZ-OE2 2.77Å; R422-E534 IonicContact NE-OE2 2.73Å; R422-E534 PolarHBondContact NE-OE2 3.39Å; R422-E534 IonicContact NH1-OE2 2.76Å; R422-E534 PolarHBondContact NH1-OE2 3.37Å; R422-E534 IonicContact NH2-OE2 3.53Å; V532-E534 HydrophobicContact CB-CG 4.35Å; V532-E534 HydrophobicContact CG1-CG 3.93Å; V532-E534 WeakPolarHBondContact CG1-OE1 3.49Å; V532-E534 HydrophobicContact CG2-CG 3.77Å
535P97.9Very high96.2Very high1 Ų122 Ų221%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-74118.2163.5-17.330.3000111.7E308 V309 Y367 V371 G418 I419 I533 F537E308-P535 WeakPolarHBondContact CA-O 3.36Å; V309-P535 HydrophobicContact CB-CB 4.44Å; V309-P535 HydrophobicContact CB-CG 4.26Å; V309-P535 PolarHBondContact N-O 2.85Å; V309-P535 WeakPolarHBondContact O-CD 3.12Å; Y367-P535 HydrophobicContact CD1-CG 3.71Å; Y367-P535 HydrophobicContact CD2-CG 4.34Å; Y367-P535 HydrophobicContact CE1-CG 4.4Å; Y367-P535 HydrophobicContact CG-CG 3.69Å; V371-P535 HydrophobicContact CG2-CB 4.47Å; G418-P535 CarbonylContact O-C 3.52Å; G418-P535 WeakPolarHBondContact O-CA 3.3Å; I419-P535 HydrophobicContact CG2-CG 4.24Å; I533-P535 WeakPolarHBondContact O-CD 3.46Å; P535-F537 HydrophobicContact CB-CE2 3.69Å; P535-F537 HydrophobicContact CB-CZ 4.24Å
536S97.7Very high96.5Very high30 Ų3020.1 Ų20.121%0.2110%0.103CC..EExtended strand (participates in β ladder)trans-121.5121.6178.1-179.20000111.4M306 E308 V417 G418M306-S536 WeakPolarHBondContact CE-OG 3.46Å; E308-S536 WeakPolarHBondContact CG-OG 3.29Å; E308-S536 WeakPolarHBondContact OE1-CB 3.36Å; E308-S536 PolarHBondContact OE1-OG 3.44Å; V417-S536 CarbonylContact C-O 3.54Å; V417-S536 WeakPolarHBondContact CA-O 3.41Å; V417-S536 VanDerWaalsContact CG1-O 3.28Å; V417-S536 WeakPolarHBondContact CG1-O 3.5Å; G418-S536 PolarHBondContact N-O 3.41Å; G418-S536 PolarHBondContact O-N 2.9Å
537F98.6Very high96.8Very high0 Ų015.2 Ų15.20%08%0.08CC..EExtended strand (participates in β ladder)trans-111.3125.2-170.2-60.5-109.1000111.6W127 F131 M306 A307 V371 F374 V417 P535 I539 I542W127-F537 AromaticContact CE2-CD2 3.97Å; W127-F537 AromaticContact CE2-CE2 3.92Å; W127-F537 HydrophobicContact CZ2-CD2 4.01Å; W127-F537 AromaticContact CZ2-CE2 3.92Å; W127-F537 HydrophobicContact CZ2-CE2 3.92Å; W127-F537 AromaticContact NE1-CD1 3.63Å; W127-F537 AromaticContact NE1-CD2 3.32Å; W127-F537 VanDerWaalsContact NE1-CD2 3.32Å; W127-F537 AromaticContact NE1-CE1 3.62Å; W127-F537 AromaticContact NE1-CE2 3.28Å; W127-F537 VanDerWaalsContact NE1-CE2 3.28Å; W127-F537 AromaticContact NE1-CG 3.5Å; W127-F537 AromaticContact NE1-CZ 3.44Å; F131-F537 HydrophobicContact CD2-CZ 4.33Å; F131-F537 AromaticContact CE1-CZ 3.96Å; F131-F537 HydrophobicContact CE1-CZ 3.96Å; F131-F537 AromaticContact CE2-CE1 3.82Å; F131-F537 HydrophobicContact CE2-CE1 3.82Å; F131-F537 HydrophobicContact CE2-CE2 4.31Å; F131-F537 AromaticContact CE2-CZ 3.49Å; F131-F537 HydrophobicContact CE2-CZ 3.49Å; F131-F537 VanDerWaalsContact CE2-CZ 3.49Å; F131-F537 AromaticContact CZ-CE1 3.8Å; F131-F537 HydrophobicContact CZ-CE1 3.8Å; F131-F537 HydrophobicContact CZ-CE2 4.29Å; F131-F537 AromaticContact CZ-CZ 3.29Å; F131-F537 HydrophobicContact CZ-CZ 3.29Å; M306-F537 VanDerWaalsContact CA-O 3.25Å; M306-F537 WeakPolarHBondContact CA-O 3.22Å; A307-F537 HydrophobicContact CB-CB 4.3Å; A307-F537 PolarHBondContact N-O 3.26Å; A307-F537 VanDerWaalsContact N-O 3.12Å; A307-F537 WeakPolarHBondContact O-CB 3.33Å; A307-F537 VanDerWaalsContact O-CD2 3.25Å; A307-F537 WeakPolarHBondContact O-CD2 3.33Å; A307-F537 PolarHBondContact O-N 3.01Å; V371-F537 HydrophobicContact CG1-CE1 4.31Å; V371-F537 HydrophobicContact CG2-CE1 3.94Å; V371-F537 HydrophobicContact CG2-CZ 3.57Å; F374-F537 HydrophobicContact CD1-CD1 4.23Å; F374-F537 AromaticContact CD1-CE1 3.9Å; F374-F537 HydrophobicContact CD1-CE1 3.9Å; F374-F537 HydrophobicContact CE1-CD1 4.15Å; F374-F537 HydrophobicContact CE1-CE1 4.26Å; V417-F537 HydrophobicContact CB-CD1 4.25Å; V417-F537 HydrophobicContact CG1-CD1 3.78Å; V417-F537 HydrophobicContact CG1-CD2 4.11Å; V417-F537 HydrophobicContact CG1-CE1 3.85Å; V417-F537 HydrophobicContact CG1-CE2 4.19Å; V417-F537 HydrophobicContact CG1-CG 3.91Å; V417-F537 HydrophobicContact CG1-CZ 4.06Å; V417-F537 HydrophobicContact CG2-CB 4.44Å; V417-F537 HydrophobicContact CG2-CD1 3.38Å; V417-F537 HydrophobicContact CG2-CE1 3.82Å; V417-F537 HydrophobicContact CG2-CG 4.05Å; P535-F537 HydrophobicContact CB-CE2 3.69Å; P535-F537 HydrophobicContact CB-CZ 4.24Å; F537-I539 HydrophobicContact CB-CD1 4.25Å; F537-I539 PolarHBondContact O-N 3.37Å; F537-I542 HydrophobicContact CB-CD1 4.2Å; F537-I542 HydrophobicContact CD1-CD1 4.06Å
538G97.7Very high97Very high16 Ų1611.2 Ų11.217%0.1656%0.062CC..EExtended strand (participates in β ladder)trans-86.291.8169.100000111.8C416 G540 R541 I542C416-G538 PolarHBondContact O-N 2.74Å; G538-G540 VanDerWaalsContact C-N 3.28Å; G538-G540 PolarHBondContact O-N 3.07Å; G538-R541 WeakPolarHBondContact O-CB 3.44Å; G538-R541 PolarHBondContact O-N 3.45Å; G538-I542 PolarHBondContact O-N 3.49Å
539I98.3Very high97.1Very high1 Ų19.7 Ų9.71%0.0056%0.055CC..Hα-helixtrans-57.7-39.6-173-57.1-57.9000112.4K120 I123 I124 T305 A307 F537 I542 M543K120-I539 HydrophobicContact CG-CG2 4.26Å; I123-I539 HydrophobicContact CG2-CG2 4.38Å; I124-I539 HydrophobicContact CG1-CG2 4.38Å; T305-I539 HydrophobicContact CG2-CB 4.37Å; T305-I539 HydrophobicContact CG2-CG1 4.07Å; T305-I539 WeakPolarHBondContact O-CB 3.32Å; T305-I539 PolarHBondContact O-N 3.2Å; T305-I539 VanDerWaalsContact O-N 3.09Å; A307-I539 HydrophobicContact CB-CD1 4.11Å; F537-I539 HydrophobicContact CB-CD1 4.25Å; F537-I539 PolarHBondContact O-N 3.37Å; I539-I542 PolarHBondContact O-N 3.17Å; I539-M543 WeakPolarHBondContact O-CB 3.17Å; I539-M543 PolarHBondContact O-N 3.44Å
540G97.4Very high97.1Very high6 Ų68 Ų86%0.0625%0.045CC..Hα-helixtrans-63.4-39.6176.900000113.4G538 M543 Y544G538-G540 VanDerWaalsContact C-N 3.28Å; G538-G540 PolarHBondContact O-N 3.07Å; G540-M543 PolarHBondContact O-N 3.26Å; G540-Y544 PolarHBondContact O-N 2.92Å
541R97.5Very high97.2Very high72 Ų728.5 Ų8.527%0.2725%0.047SC..Hα-helixtrans-67.3-44.6177.6-62.5-169.4175.9171.13.5111.4I299 E415 G538 M543 Y544 A545I299-R541 PolarHBondContact O-NE 3.09Å; E415-R541 WeakPolarHBondContact O-CD 3.44Å; E415-R541 PolarHBondContact O-NH1 3.46Å; E415-R541 IonicContact OE2-NH1 2.6Å; E415-R541 PolarHBondContact OE2-NH1 2.93Å; G538-R541 WeakPolarHBondContact O-CB 3.44Å; G538-R541 PolarHBondContact O-N 3.45Å; R541-M543 VanDerWaalsContact C-N 3.32Å; R541-M543 PolarHBondContact O-N 3.24Å; R541-Y544 PolarHBondContact O-N 2.77Å; R541-A545 PolarHBondContact O-N 2.73Å
542I98.4Very high97.1Very high0 Ų011.4 Ų11.40%06%0.057CC..Hα-helixtrans-59.1-46.4174.7-65.2169.6000110F374 L375 V378 C416 V417 F537 G538 I539 Y544 A545 V546F374-I542 HydrophobicContact CE1-CD1 4.19Å; L375-I542 HydrophobicContact CD2-CD1 4.03Å; L375-I542 HydrophobicContact CD2-CG1 4.03Å; L375-I542 HydrophobicContact CD2-CG2 4.22Å; V378-I542 HydrophobicContact CG2-CG2 3.93Å; C416-I542 HydrophobicContact CB-CG1 3.81Å; V417-I542 HydrophobicContact CG2-CD1 4.14Å; F537-I542 HydrophobicContact CB-CD1 4.2Å; F537-I542 HydrophobicContact CD1-CD1 4.06Å; G538-I542 PolarHBondContact O-N 3.49Å; I539-I542 PolarHBondContact O-N 3.17Å; I542-Y544 VanDerWaalsContact C-N 3.34Å; I542-Y544 PolarHBondContact O-N 2.95Å; I542-A545 PolarHBondContact O-N 3.28Å; I542-V546 HydrophobicContact CG2-CG2 4.27Å; I542-V546 WeakPolarHBondContact O-CB 3.41Å; I542-V546 VanDerWaalsContact O-CG2 3.29Å; I542-V546 WeakPolarHBondContact O-CG2 3.49Å; I542-V546 PolarHBondContact O-N 2.96Å
543M98Very high96.9Very high1 Ų112.9 Ų12.91%0.0057%0.066CC..Hα-helixtrans-61.8-42.3179.5-161.1-176.872.300111.8Y96 Y112 M119 K120 I123 L298 I539 G540 R541 V546 C547Y96-M543 HydrophobicContact CD1-CE 3.92Å; Y96-M543 HydrophobicContact CE1-CE 4.36Å; Y112-M543 HydrophobicContact CD1-CE 3.91Å; Y112-M543 HydrophobicContact CD1-SD 4.34Å; Y112-M543 HydrophobicContact CE1-CE 3.34Å; Y112-M543 HydrophobicContact CE1-SD 3.91Å; M119-M543 HydrophobicContact CE-CG 3.67Å; M119-M543 HydrophobicContact CG-CG 4.3Å; M119-M543 HydrophobicContact CG-SD 4.33Å; M119-M543 HydrophobicContact SD-CG 3.73Å; M119-M543 HydrophobicContact SD-SD 4.09Å; K120-M543 HydrophobicContact CB-SD 4.34Å; I123-M543 HydrophobicContact CD1-CB 4.29Å; I123-M543 HydrophobicContact CD1-CG 4.03Å; L298-M543 HydrophobicContact CD1-CE 3.22Å; I539-M543 WeakPolarHBondContact O-CB 3.17Å; I539-M543 PolarHBondContact O-N 3.44Å; G540-M543 PolarHBondContact O-N 3.26Å; R541-M543 VanDerWaalsContact C-N 3.32Å; R541-M543 PolarHBondContact O-N 3.24Å; M543-V546 PolarHBondContact O-N 3.46Å; M543-C547 PolarHBondContact O-N 3.06Å; M543-C547 PolarHBondContact O-SG 2.86Å; M543-C547 VanDerWaalsContact O-SG 3.34Å
544Y97.5Very high96.5Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-59.8-51.2174177.9-82.8000111.6M86 I299 T409 H411 I414 G540 R541 I542 V546 C547 E548M86-Y544 HydrophobicContact CE-CE2 4.12Å; I299-Y544 HydrophobicContact CD1-CD1 3.86Å; I299-Y544 HydrophobicContact CD1-CE1 3.71Å; I299-Y544 HydrophobicContact CD1-CE2 4.46Å; I299-Y544 HydrophobicContact CD1-CG 4.37Å; I299-Y544 HydrophobicContact CG1-CD1 3.87Å; I299-Y544 HydrophobicContact CG1-CD2 4.42Å; I299-Y544 HydrophobicContact CG1-CE1 4.24Å; I299-Y544 HydrophobicContact CG1-CG 4.02Å; T409-Y544 HydrophobicContact CG2-CD1 4.23Å; T409-Y544 HydrophobicContact CG2-CE1 4.01Å; H411-Y544 AromaticContact CE1-CZ 3.99Å; H411-Y544 PolarHBondContact CE1-OH 3.33Å; H411-Y544 VanDerWaalsContact CE1-OH 3.3Å; H411-Y544 AromaticContact ND1-CZ 3.81Å; H411-Y544 PolarHBondContact ND1-OH 3.04Å; I414-Y544 HydrophobicContact CD1-CD1 4.32Å; G540-Y544 PolarHBondContact O-N 2.92Å; R541-Y544 PolarHBondContact O-N 2.77Å; I542-Y544 VanDerWaalsContact C-N 3.34Å; I542-Y544 PolarHBondContact O-N 2.95Å; Y544-V546 VanDerWaalsContact C-N 3.31Å; Y544-V546 PolarHBondContact O-N 3.18Å; Y544-C547 PolarHBondContact O-N 3.05Å; Y544-E548 HydrophobicContact CE1-CB 4.46Å; Y544-E548 WeakPolarHBondContact CE1-OE2 3.5Å; Y544-E548 PolarHBondContact O-N 2.93Å; Y544-E548 PolarHBondContact OH-OE2 2.86Å
545A97.5Very high95.9Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-58.4-43.9-179.700000111.7C407 T409 I414 R541 I542 E548 H549C407-A545 HydrophobicContact CB-CB 3.71Å; T409-A545 HydrophobicContact CG2-CB 4.3Å; I414-A545 HydrophobicContact CD1-CB 4.41Å; R541-A545 PolarHBondContact O-N 2.73Å; I542-A545 PolarHBondContact O-N 3.28Å; A545-E548 PolarHBondContact O-N 3.16Å; A545-H549 WeakPolarHBondContact O-CB 3.27Å; A545-H549 PolarHBondContact O-CD2 3.47Å; A545-H549 PolarHBondContact O-N 2.83Å
546V97.7Very high95.2Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-64.5-43.1177.8167.30000111.8M119 V378 V380 I542 M543 Y544 E548 H549 S550 L565M119-V546 HydrophobicContact CE-CB 4.33Å; M119-V546 HydrophobicContact CE-CG1 3.76Å; V378-V546 HydrophobicContact CB-CG2 4.26Å; V378-V546 HydrophobicContact CG2-CG2 3.79Å; V378-V546 VanDerWaalsContact O-CG1 3.25Å; V378-V546 WeakPolarHBondContact O-CG1 3.32Å; V380-V546 HydrophobicContact CG2-CG2 3.85Å; I542-V546 HydrophobicContact CG2-CG2 4.27Å; I542-V546 WeakPolarHBondContact O-CB 3.41Å; I542-V546 VanDerWaalsContact O-CG2 3.29Å; I542-V546 WeakPolarHBondContact O-CG2 3.49Å; I542-V546 PolarHBondContact O-N 2.96Å; M543-V546 PolarHBondContact O-N 3.46Å; Y544-V546 VanDerWaalsContact C-N 3.31Å; Y544-V546 PolarHBondContact O-N 3.18Å; V546-E548 VanDerWaalsContact C-N 3.3Å; V546-E548 PolarHBondContact O-N 2.87Å; V546-H549 PolarHBondContact O-N 3.09Å; V546-S550 WeakPolarHBondContact O-CB 3.41Å; V546-S550 PolarHBondContact O-N 2.93Å; V546-S550 PolarHBondContact O-OG 3.05Å; V546-L565 HydrophobicContact CG1-CD2 3.34Å
547C97.6Very high94.6Very high0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-59.3-43.4174-74.90000111.3L90 M543 Y544 S550 F551 L563L90-C547 HydrophobicContact CD1-CB 4.18Å; L90-C547 HydrophobicContact CD2-CB 4.22Å; M543-C547 PolarHBondContact O-N 3.06Å; M543-C547 PolarHBondContact O-SG 2.86Å; M543-C547 VanDerWaalsContact O-SG 3.34Å; Y544-C547 PolarHBondContact O-N 3.05Å; C547-S550 PolarHBondContact O-N 3.43Å; C547-S550 PolarHBondContact O-OG 3Å; C547-F551 WeakPolarHBondContact O-CB 3.4Å; C547-F551 PolarHBondContact O-N 3.5Å; C547-L563 WeakPolarHBondContact O-CD2 3.35Å
548E96.4Very high93.9Very high8 Ų836.1 Ų36.14%0.03718%0.175CC..Hα-helixtrans-66.2-47177.6-175.4170.1135.500112.5F81 M86 T409 S410 Y544 A545 V546 S550 F551F81-E548 HydrophobicContact CD2-CG 4.43Å; F81-E548 HydrophobicContact CE1-CG 3.88Å; F81-E548 HydrophobicContact CE2-CG 3.72Å; F81-E548 HydrophobicContact CZ-CB 4.44Å; F81-E548 HydrophobicContact CZ-CG 3.42Å; F81-E548 VanDerWaalsContact CZ-CG 3.42Å; M86-E548 HydrophobicContact CE-CB 4.39Å; M86-E548 WeakPolarHBondContact SD-CA 3.49Å; M86-E548 HydrophobicContact SD-CB 3.8Å; M86-E548 HydrophobicContact SD-CG 4.2Å; T409-E548 VanDerWaalsContact C-OE1 3.23Å; T409-E548 WeakPolarHBondContact CA-OE1 3.23Å; T409-E548 WeakPolarHBondContact CB-OE1 3.33Å; S410-E548 PolarHBondContact N-OE1 2.85Å; S410-E548 PolarHBondContact N-OE2 3.43Å; S410-E548 PolarHBondContact OG-OE2 3.46Å; Y544-E548 HydrophobicContact CE1-CB 4.46Å; Y544-E548 WeakPolarHBondContact CE1-OE2 3.5Å; Y544-E548 PolarHBondContact O-N 2.93Å; Y544-E548 PolarHBondContact OH-OE2 2.86Å; A545-E548 PolarHBondContact O-N 3.16Å; V546-E548 VanDerWaalsContact C-N 3.3Å; V546-E548 PolarHBondContact O-N 2.87Å; E548-S550 PolarHBondContact O-N 3.14Å; E548-F551 PolarHBondContact O-N 2.85Å
549H95.5Very high93.3Very high5 Ų542.2 Ų42.22%0.02320%0.199CC..Hα-helixtrans-67.2-24.2-178.7-65.1-178.7000112.5D381 H408 A545 V546 R552D381-H549 HydrophobicContact CB-CB 4.16Å; D381-H549 PolarHBondContact N-ND1 3.2Å; H408-H549 PolarHBondContact O-NE2 2.54Å; A545-H549 WeakPolarHBondContact O-CB 3.27Å; A545-H549 PolarHBondContact O-CD2 3.47Å; A545-H549 PolarHBondContact O-N 2.83Å; V546-H549 PolarHBondContact O-N 3.09Å; H549-R552 PolarHBondContact O-NH1 3.43Å; H549-R552 PolarHBondContact O-NH2 2.79Å
550S95.6Very high93Very high4 Ų445.7 Ų45.73%0.02821%0.212CC..Hα-helixtrans-97.7-7.5178.565.80000114.4V546 C547 E548 R552 A564 L565V546-S550 WeakPolarHBondContact O-CB 3.41Å; V546-S550 PolarHBondContact O-N 2.93Å; V546-S550 PolarHBondContact O-OG 3.05Å; C547-S550 PolarHBondContact O-N 3.43Å; C547-S550 PolarHBondContact O-OG 3Å; E548-S550 PolarHBondContact O-N 3.14Å; S550-R552 VanDerWaalsContact C-NH1 3.29Å; S550-R552 PolarHBondContact O-N 3.15Å; S550-A564 WeakPolarHBondContact O-CB 3.43Å; S550-A564 PolarHBondContact O-N 3.36Å; S550-L565 VanDerWaalsContact OG-CD2 3.27Å; S550-L565 WeakPolarHBondContact OG-CD2 3.27Å
551F96.3Very high92.9Very high13 Ų1345.8 Ų45.86%0.05721%0.212CC..EExtended strand (participates in β ladder)trans-66.6130.3179.9-178.6-102000112.2F81 K85 M86 L89 C547 E548 T561 L563F81-F551 HydrophobicContact CD2-CD1 4.06Å; F81-F551 HydrophobicContact CE2-CB 4.22Å; F81-F551 AromaticContact CE2-CD1 3.86Å; F81-F551 HydrophobicContact CE2-CD1 3.86Å; F81-F551 HydrophobicContact CE2-CG 4.32Å; K85-F551 HydrophobicContact CB-CE1 4.41Å; K85-F551 HydrophobicContact CB-CZ 3.82Å; M86-F551 VanDerWaalsContact CA-CE2 3.48Å; M86-F551 HydrophobicContact CB-CB 4.45Å; M86-F551 HydrophobicContact CB-CD1 4.12Å; M86-F551 HydrophobicContact CB-CD2 3.72Å; M86-F551 HydrophobicContact CB-CE1 4.26Å; M86-F551 HydrophobicContact CB-CE2 3.86Å; M86-F551 HydrophobicContact CB-CG 3.84Å; M86-F551 HydrophobicContact CB-CZ 4.13Å; M86-F551 HydrophobicContact CG-CB 4.06Å; M86-F551 HydrophobicContact CG-CD2 3.73Å; M86-F551 HydrophobicContact CG-CE2 4.31Å; M86-F551 HydrophobicContact CG-CG 3.9Å; M86-F551 HydrophobicContact SD-CB 4.3Å; L89-F551 HydrophobicContact CB-CE2 4.4Å; L89-F551 HydrophobicContact CD2-CD2 4.05Å; L89-F551 HydrophobicContact CD2-CE2 3.84Å; C547-F551 WeakPolarHBondContact O-CB 3.4Å; C547-F551 PolarHBondContact O-N 3.5Å; E548-F551 PolarHBondContact O-N 2.85Å; F551-T561 HydrophobicContact CE2-CG2 3.93Å; F551-T561 HydrophobicContact CZ-CG2 3.51Å; F551-L563 HydrophobicContact CB-CD2 4.05Å; F551-L563 HydrophobicContact CD2-CD2 4.11Å
552R93Very high92.8Very high69 Ų6943.5 Ų43.526%0.2620%0.203SC..EExtended strand (participates in β ladder)trans-138.1153.7-177.5-62.2-63.6178-84.5-3.2110.7H549 S550 T561 Y562 A564H549-R552 PolarHBondContact O-NH1 3.43Å; H549-R552 PolarHBondContact O-NH2 2.79Å; S550-R552 VanDerWaalsContact C-NH1 3.29Å; S550-R552 PolarHBondContact O-N 3.15Å; R552-T561 CarbonylContact O-C 3.33Å; R552-T561 VanDerWaalsContact O-CA 3.28Å; R552-T561 WeakPolarHBondContact O-CA 3.43Å; R552-Y562 HydrophobicContact CB-CD1 3.87Å; R552-Y562 HydrophobicContact CB-CD2 4.49Å; R552-Y562 HydrophobicContact CB-CE1 3.36Å; R552-Y562 HydrophobicContact CB-CE2 4.07Å; R552-Y562 HydrophobicContact CB-CG 4.41Å; R552-Y562 VanDerWaalsContact CB-CZ 3.48Å; R552-Y562 HydrophobicContact CG-CE1 4.31Å; R552-Y562 HydrophobicContact CG-CE2 4.29Å; R552-Y562 PolarHBondContact N-O 3.42Å; R552-Y562 PolarHBondContact O-N 3.43Å; R552-A564 HydrophobicContact CG-CB 3.98Å
553T92.8Very high92.8Very high31 Ų3143.5 Ų43.519%0.1920%0.203CC..EExtended strand (participates in β ladder)trans-115142.5169-54.50000108.8E558T553-E558 VanDerWaalsContact CG2-CA 3.47Å; T553-E558 HydrophobicContact CG2-CB 4.42Å; T553-E558 WeakPolarHBondContact CG2-O 3.01Å
554R90.1Very high92.7Very high19 Ų1944.4 Ų44.47%0.07221%0.211CC..EExtended strand (participates in β ladder)trans-73135.9176.3-65-65.7-175.2-177.93.4109.7D556 D557 R560 Y562 D620 R646 D647 M649R554-D556 PolarHBondContact O-N 3.37Å; R554-D557 CarbonylContact O-C 3.53Å; R554-D557 VanDerWaalsContact O-C 3.31Å; R554-D557 PolarHBondContact O-N 2.98Å; R554-D557 VanDerWaalsContact O-N 3.13Å; R554-D557 VanDerWaalsContact O-O 3.1Å; R554-R560 HydrophobicContact CB-CB 3.96Å; R554-R560 HydrophobicContact CG-CB 3.79Å; R554-R560 WeakPolarHBondContact CG-O 3.49Å; R554-R560 PolarHBondContact N-O 2.92Å; R554-Y562 HydrophobicContact CG-CD1 4.24Å; R554-Y562 HydrophobicContact CG-CE1 4.25Å; R554-D620 IonicContact CZ-OD2 3.17Å; R554-D620 IonicContact NE-OD2 2.69Å; R554-D620 IonicContact NH2-OD2 2.57Å; R554-D620 PolarHBondContact NH2-OD2 3.01Å; R554-R646 PolarHBondContact NH1-O 3.47Å; R554-R646 VanDerWaalsContact NH1-O 3.15Å; R554-R646 PolarHBondContact NH2-O 3.39Å; R554-D647 PolarHBondContact NH1-O 3.05Å; R554-M649 VanDerWaalsContact NH1-CG 3.33Å
555K83.3Confident92.7Very high152 Ų15244.4 Ų44.466%0.66121%0.211SC*.THydrogen-bonded Turntrans-56.5-36.4-178.9-67-177.8177.9177.90113.6
556D81.9Confident92.6Very high156 Ų15646.5 Ų46.583%0.83422%0.224SC*.THydrogen-bonded Turntrans-85.3-12.2-176-52-39.1000113.3R554R554-D556 PolarHBondContact O-N 3.37Å
557D85.1Confident92.5Very high65 Ų6547.3 Ų47.335%0.34823%0.232SC..EExtended strand (participates in β ladder)trans-154.9102.2-174.4-173.6-13.8000111R554 Q559 R560R554-D557 CarbonylContact O-C 3.53Å; R554-D557 VanDerWaalsContact O-C 3.31Å; R554-D557 PolarHBondContact O-N 2.98Å; R554-D557 VanDerWaalsContact O-N 3.13Å; R554-D557 VanDerWaalsContact O-O 3.1Å; D557-Q559 PolarHBondContact O-N 3.14Å; D557-Q559 VanDerWaalsContact OD1-CB 3.31Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.35Å; D557-Q559 PolarHBondContact OD1-N 3.22Å; D557-R560 HydrophobicContact CB-CB 4.09Å; D557-R560 HydrophobicContact CB-CG 3.96Å; D557-R560 PolarHBondContact O-N 3.06Å; D557-R560 VanDerWaalsContact OD2-CD 3.28Å; D557-R560 WeakPolarHBondContact OD2-CD 3.18Å; D557-R560 VanDerWaalsContact OD2-CG 3.26Å; D557-R560 WeakPolarHBondContact OD2-CG 3.35Å
558E84Confident92.4Very high140 Ų14049.4 Ų49.465%0.65424%0.244SC*.EExtended strand (participates in β ladder)trans-62.9-12.6-179.8-67.6-172.6177.400114.6K85 T553K85-E558 PolarHBondContact NZ-O 2.97Å; T553-E558 VanDerWaalsContact CG2-CA 3.47Å; T553-E558 HydrophobicContact CG2-CB 4.42Å; T553-E558 WeakPolarHBondContact CG2-O 3.01Å
559Q86.1Confident92.4Very high145 Ų14549 Ų4968%0.67824%0.242SC*.EExtended strand (participates in β ladder)trans-89.5-15.8174.8-57.8-60.7-38.700112D557 T561D557-Q559 PolarHBondContact O-N 3.14Å; D557-Q559 VanDerWaalsContact OD1-CB 3.31Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.35Å; D557-Q559 PolarHBondContact OD1-N 3.22Å; Q559-T561 PolarHBondContact O-N 3Å
560R91.2Very high92.5Very high73 Ų7348.8 Ų48.828%0.27524%0.241SC..EExtended strand (participates in β ladder)trans-89.490.1178.3-73.2-178.469.8-159.1-2.7110.6R554 D557R554-R560 HydrophobicContact CB-CB 3.96Å; R554-R560 HydrophobicContact CG-CB 3.79Å; R554-R560 WeakPolarHBondContact CG-O 3.49Å; R554-R560 PolarHBondContact N-O 2.92Å; D557-R560 HydrophobicContact CB-CB 4.09Å; D557-R560 HydrophobicContact CB-CG 3.96Å; D557-R560 PolarHBondContact O-N 3.06Å; D557-R560 VanDerWaalsContact OD2-CD 3.28Å; D557-R560 WeakPolarHBondContact OD2-CD 3.18Å; D557-R560 VanDerWaalsContact OD2-CG 3.26Å; D557-R560 WeakPolarHBondContact OD2-CG 3.35Å
561T95.1Very high92.6Very high9 Ų948.6 Ų48.66%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-94.6149.8174.658.60000111.5K85 F551 R552 Q559 E621K85-T561 HydrophobicContact CD-CG2 4.43Å; F551-T561 HydrophobicContact CE2-CG2 3.93Å; F551-T561 HydrophobicContact CZ-CG2 3.51Å; R552-T561 CarbonylContact O-C 3.33Å; R552-T561 VanDerWaalsContact O-CA 3.28Å; R552-T561 WeakPolarHBondContact O-CA 3.43Å; Q559-T561 PolarHBondContact O-N 3Å; T561-E621 VanDerWaalsContact O-CG 3.25Å; T561-E621 WeakPolarHBondContact O-CG 3.41Å
562Y96.4Very high92.7Very high23 Ų2350.7 Ų50.79%0.0925%0.248CC..EExtended strand (participates in β ladder)trans-153.5169.6175.271.3-78000111.7R552 R554 A564 D620 R646 D647R552-Y562 HydrophobicContact CB-CD1 3.87Å; R552-Y562 HydrophobicContact CB-CD2 4.49Å; R552-Y562 HydrophobicContact CB-CE1 3.36Å; R552-Y562 HydrophobicContact CB-CE2 4.07Å; R552-Y562 HydrophobicContact CB-CG 4.41Å; R552-Y562 VanDerWaalsContact CB-CZ 3.48Å; R552-Y562 HydrophobicContact CG-CE1 4.31Å; R552-Y562 HydrophobicContact CG-CE2 4.29Å; R552-Y562 PolarHBondContact N-O 3.42Å; R552-Y562 PolarHBondContact O-N 3.43Å; R554-Y562 HydrophobicContact CG-CD1 4.24Å; R554-Y562 HydrophobicContact CG-CE1 4.25Å; Y562-A564 HydrophobicContact CE2-CB 4.08Å; Y562-D620 WeakPolarHBondContact CB-O 3.37Å; Y562-D620 HydrophobicContact CG-CB 4.4Å; Y562-R646 HydrophobicContact CD2-CG 4.01Å; Y562-R646 HydrophobicContact CE2-CG 4.23Å; Y562-D647 WeakPolarHBondContact CE2-OD1 3.2Å
563L97Very high93Very high0 Ų048.1 Ų48.10%024%0.238CC..EExtended strand (participates in β ladder)trans-110.7119.4175.3-65.4175.8000110.4L89 L90 F95 C547 F551 L565 A623 R646L89-L563 HydrophobicContact CD2-CG 4.2Å; L90-L563 HydrophobicContact CD2-CD1 3.86Å; F95-L563 HydrophobicContact CE1-CD1 3.75Å; F95-L563 HydrophobicContact CE2-CD1 3.95Å; F95-L563 HydrophobicContact CZ-CD1 3.41Å; F95-L563 VanDerWaalsContact CZ-CD1 3.41Å; C547-L563 WeakPolarHBondContact O-CD2 3.35Å; F551-L563 HydrophobicContact CB-CD2 4.05Å; F551-L563 HydrophobicContact CD2-CD2 4.11Å; L563-L565 HydrophobicContact CB-CG 4.25Å; L563-L565 PolarHBondContact O-N 3.43Å; L563-L565 VanDerWaalsContact O-N 3.08Å; L563-A623 HydrophobicContact CB-CB 3.72Å; L563-A623 HydrophobicContact CD1-CB 4.49Å; L563-A623 WeakPolarHBondContact O-CA 3.44Å; L563-A623 WeakPolarHBondContact O-CB 3.13Å; L563-R646 PolarHBondContact O-NE 3.37Å; L563-R646 PolarHBondContact O-NH1 3.18Å; L563-R646 VanDerWaalsContact O-NH1 3.16Å
564A96.4Very high93.2Very high20 Ų2046.6 Ų46.617%0.16523%0.229CC..  trans-82.747.8178.600000112.7S550 R552 Y562S550-A564 WeakPolarHBondContact O-CB 3.43Å; S550-A564 PolarHBondContact O-N 3.36Å; R552-A564 HydrophobicContact CG-CB 3.98Å; Y562-A564 HydrophobicContact CE2-CB 4.08Å
565L97.2Very high93.6Very high1 Ų145.7 Ų45.71%0.00523%0.226CC..  trans-65.8144.7-178.9-66.3-177.3000112.1M119 V546 S550 L563 V569 A623 R646M119-L565 HydrophobicContact CE-CD1 3.75Å; M119-L565 HydrophobicContact CE-CD2 3.77Å; M119-L565 HydrophobicContact CE-CG 4.47Å; M119-L565 HydrophobicContact CG-CD1 4.37Å; M119-L565 HydrophobicContact SD-CD1 3.83Å; V546-L565 HydrophobicContact CG1-CD2 3.34Å; S550-L565 VanDerWaalsContact OG-CD2 3.27Å; S550-L565 WeakPolarHBondContact OG-CD2 3.27Å; L563-L565 HydrophobicContact CB-CG 4.25Å; L563-L565 PolarHBondContact O-N 3.43Å; L563-L565 VanDerWaalsContact O-N 3.08Å; L565-V569 HydrophobicContact CB-CG2 4.26Å; L565-A623 HydrophobicContact CB-CB 4.03Å; L565-A623 HydrophobicContact CD1-CB 3.5Å; L565-A623 VanDerWaalsContact CD1-CB 3.5Å; L565-A623 HydrophobicContact CG-CB 3.73Å; L565-R646 VanDerWaalsContact N-NH1 3.14Å; L565-R646 PolarHBondContact O-NH1 3.07Å; L565-R646 PolarHBondContact O-NH2 3Å; L565-R646 VanDerWaalsContact O-NH2 3.08Å
566P95.8Very high94.3Very high43 Ų4338.5 Ų38.528%0.27920%0.195SC..  trans-56.8142.7166.1-23.533.1000111.6V568 V569 A570P566-V568 HydrophobicContact CB-CG1 4.21Å; P566-V568 PolarHBondContact O-N 3.35Å; P566-V568 VanDerWaalsContact O-N 3.13Å; P566-V569 HydrophobicContact CB-CG2 4.22Å; P566-V569 HydrophobicContact CG-CG2 4.32Å; P566-V569 WeakPolarHBondContact O-CG2 3.41Å; P566-V569 PolarHBondContact O-N 2.89Å; P566-A570 PolarHBondContact O-N 2.94Å
567A95.9Very high95.1Very high18 Ų1831 Ų3115%0.14916%0.155CC..THydrogen-bonded Turntrans-57.8-33.3-175.500000113.1V569 A570 K573 P625 F626 V667A567-V569 VanDerWaalsContact C-N 3.32Å; A567-V569 PolarHBondContact O-N 2.76Å; A567-A570 PolarHBondContact O-N 2.95Å; A567-K573 VanDerWaalsContact O-CD 3.31Å; A567-K573 WeakPolarHBondContact O-CD 3.37Å; A567-K573 PolarHBondContact O-NZ 3.43Å; A567-P625 HydrophobicContact CB-CB 4.25Å; A567-P625 HydrophobicContact CB-CG 3.89Å; A567-F626 HydrophobicContact CB-CE2 4.16Å; A567-V667 HydrophobicContact CB-CG2 4.24Å
568V94.6Very high95.7Very high43 Ų4328.1 Ų28.126%0.26114%0.139SC..THydrogen-bonded Turntrans-62.1-34.9178.6660000112.9L126 P566 K573L126-V568 HydrophobicContact CD1-CG2 4.14Å; L126-V568 HydrophobicContact CD2-CG1 3.99Å; L126-V568 HydrophobicContact CD2-CG2 4.19Å; P566-V568 HydrophobicContact CB-CG1 4.21Å; P566-V568 PolarHBondContact O-N 3.35Å; P566-V568 VanDerWaalsContact O-N 3.13Å; V568-K573 PolarHBondContact O-NZ 2.86Å
569V96.9Very high96.2Very high0 Ų025 Ų250%013%0.127CC..THydrogen-bonded Turntrans-99.6-12.2178.2-62.90000114.2N122 I123 L126 V378 L565 P566 A567N122-V569 PolarHBondContact ND2-O 3.26Å; I123-V569 HydrophobicContact CG1-CB 4.11Å; I123-V569 HydrophobicContact CG1-CG1 3.77Å; L126-V569 HydrophobicContact CD2-CG1 4.08Å; V378-V569 HydrophobicContact CB-CG1 4.07Å; V378-V569 HydrophobicContact CG1-CG1 4Å; V378-V569 WeakPolarHBondContact O-CG2 3.16Å; L565-V569 HydrophobicContact CB-CG2 4.26Å; P566-V569 HydrophobicContact CB-CG2 4.22Å; P566-V569 HydrophobicContact CG-CG2 4.32Å; P566-V569 WeakPolarHBondContact O-CG2 3.41Å; P566-V569 PolarHBondContact O-N 2.89Å; A567-V569 VanDerWaalsContact C-N 3.32Å; A567-V569 PolarHBondContact O-N 2.76Å
570A98.2Very high96.6Very high0 Ų020.2 Ų20.20%011%0.109CC..  trans-54.2134.6179.700000112.3N122 P566 A567 Y572 K573 A623 P625N122-A570 PolarHBondContact ND2-O 3.34Å; P566-A570 PolarHBondContact O-N 2.94Å; A567-A570 PolarHBondContact O-N 2.95Å; A570-Y572 PolarHBondContact O-N 3.18Å; A570-K573 PolarHBondContact O-NZ 2.67Å; A570-A623 WeakPolarHBondContact CB-O 3.41Å; A570-P625 HydrophobicContact CB-CG 4.19Å
571P98Very high96.6Very high1 Ų121.6 Ų21.61%0.00614%0.137CC..SBendtrans-51.4-53.1-175.6-26.631.8000113.5F95 V115 A118 M119 S602F95-P571 HydrophobicContact CE1-CG 4.27Å; V115-P571 HydrophobicContact CG1-CB 3.74Å; V115-P571 HydrophobicContact CG1-CG 3.39Å; A118-P571 HydrophobicContact CB-CB 3.95Å; M119-P571 HydrophobicContact CB-CG 4.2Å; P571-S602 PolarHBondContact O-OG 2.86Å
572Y98.3Very high96.6Very high56 Ų5624.3 Ų24.322%0.2215%0.148CC..SBendtrans-117.1145.7167.8-49.3-92.2000108.8A570 S602 K604 I622 I624 P625A570-Y572 PolarHBondContact O-N 3.18Å; Y572-S602 WeakPolarHBondContact CA-OG 3.26Å; Y572-K604 HydrophobicContact CD1-CB 4.43Å; Y572-K604 HydrophobicContact CG-CB 4.3Å; Y572-I622 HydrophobicContact CD2-CD1 4.36Å; Y572-I624 HydrophobicContact CD2-CD1 4.06Å; Y572-I624 HydrophobicContact CD2-CG1 4.33Å; Y572-I624 HydrophobicContact CG-CD1 4.28Å; Y572-P625 WeakPolarHBondContact O-CD 3.47Å
573K98Very high96.5Very high15 Ų1527.5 Ų27.57%0.06517%0.174CC..SBendtrans-83.1-33.9-176.7-52.2-44178.9-172.40111.8N122 A567 V568 A570 V601 S602 P625 F626 I663 V667N122-K573 PolarHBondContact ND2-NZ 2.89Å; A567-K573 VanDerWaalsContact O-CD 3.31Å; A567-K573 WeakPolarHBondContact O-CD 3.37Å; A567-K573 PolarHBondContact O-NZ 3.43Å; V568-K573 PolarHBondContact O-NZ 2.86Å; A570-K573 PolarHBondContact O-NZ 2.67Å; K573-V601 HydrophobicContact CB-CG1 3.66Å; K573-V601 HydrophobicContact CG-CG1 4.03Å; K573-S602 WeakPolarHBondContact CB-O 3.45Å; K573-S602 PolarHBondContact N-O 3.22Å; K573-P625 WeakPolarHBondContact O-CD 3.45Å; K573-P625 VanDerWaalsContact O-CG 3.28Å; K573-P625 WeakPolarHBondContact O-CG 3.4Å; K573-F626 WeakPolarHBondContact O-CD2 3.39Å; K573-I663 HydrophobicContact CB-CG2 4.25Å; K573-V667 HydrophobicContact CB-CG2 3.68Å; K573-V667 HydrophobicContact CD-CG1 3.92Å; K573-V667 HydrophobicContact CD-CG2 4Å; K573-V667 HydrophobicContact CG-CG1 4.22Å; K573-V667 HydrophobicContact CG-CG2 3.84Å
574C98.3Very high96.5Very high0 Ų032.8 Ų32.80%020%0.199CC..EExtended strand (participates in β ladder)trans-146.4162.8172.566.40000113.6S602 H603 K604 F626 I663C574-S602 PolarHBondContact N-O 3.02Å; C574-H603 CarbonylContact O-C 3.58Å; C574-H603 WeakPolarHBondContact O-CA 3.23Å; C574-H603 WeakPolarHBondContact O-CB 3.33Å; C574-K604 PolarHBondContact O-N 3.02Å; C574-F626 CarbonylContact C-O 3.54Å; C574-F626 WeakPolarHBondContact CA-O 3.2Å; C574-F626 HydrophobicContact CB-CB 4.04Å; C574-F626 WeakPolarHBondContact CB-O 3.32Å; C574-I663 HydrophobicContact CB-CD1 4.16Å; C574-I663 HydrophobicContact CB-CG1 4.43Å; C574-I663 HydrophobicContact CB-CG2 4.28Å
575S98.3Very high96.6Very high0 Ų031.9 Ų31.90%019%0.191CC..EExtended strand (participates in β ladder)trans-111.9141.5166.465.10000111.3K604 T619 F626 A627 I628S575-K604 CarbonylContact C-O 3.57Å; S575-K604 WeakPolarHBondContact CA-O 3.42Å; S575-T619 VanDerWaalsContact OG-CG2 3.29Å; S575-T619 WeakPolarHBondContact OG-CG2 3.42Å; S575-T619 PolarHBondContact OG-OG1 2.81Å; S575-F626 PolarHBondContact N-O 3.19Å; S575-A627 CarbonylContact O-C 3.56Å; S575-A627 WeakPolarHBondContact O-CA 3.47Å; S575-A627 VanDerWaalsContact OG-CB 3.3Å; S575-A627 WeakPolarHBondContact OG-CB 3.46Å; S575-I628 PolarHBondContact O-N 3.09Å
576I98.4Very high96.6Very high0 Ų036.4 Ų36.40%021%0.212CC..EExtended strand (participates in β ladder)trans-103.1119.7170-53.4172000108.2I589 L592 L596 K604 I605 D606 I628 I630I576-I589 HydrophobicContact CG2-CG1 4.23Å; I576-I589 HydrophobicContact CG2-CG2 4.18Å; I576-L592 HydrophobicContact CD1-CB 3.92Å; I576-L596 HydrophobicContact CD1-CD1 3.93Å; I576-L596 HydrophobicContact CG1-CD1 4.32Å; I576-K604 PolarHBondContact N-O 3.43Å; I576-I605 HydrophobicContact CB-CG1 4.26Å; I576-I605 HydrophobicContact CD1-CG1 4.27Å; I576-I605 WeakPolarHBondContact O-CA 3.35Å; I576-D606 PolarHBondContact O-N 3Å; I576-D606 VanDerWaalsContact O-N 3.08Å; I576-I628 CarbonylContact C-O 3.31Å; I576-I628 WeakPolarHBondContact CA-O 3.28Å; I576-I630 HydrophobicContact CG2-CG1 4.06Å
577L97.9Very high96.7Very high0 Ų038.4 Ų38.40%023%0.225CC..EExtended strand (participates in β ladder)trans-124.4100.3-170-54-178.3000110.2L579 D606 I612 R615 Y616 A627 I628 T629 I630L577-L579 PolarHBondContact O-N 2.95Å; L577-D606 HydrophobicContact CD2-CB 3.63Å; L577-I612 HydrophobicContact CB-CD1 3.84Å; L577-I612 HydrophobicContact CD1-CD1 4.1Å; L577-R615 HydrophobicContact CD1-CB 4.39Å; L577-R615 HydrophobicContact CD2-CB 4.37Å; L577-Y616 HydrophobicContact CD1-CD1 3.43Å; L577-Y616 VanDerWaalsContact CD1-CD1 3.43Å; L577-Y616 HydrophobicContact CD1-CE1 3.47Å; L577-Y616 VanDerWaalsContact CD1-CE1 3.47Å; L577-A627 HydrophobicContact CD1-CB 3.96Å; L577-I628 PolarHBondContact N-O 3.32Å; L577-T629 CarbonylContact O-C 3.57Å; L577-T629 VanDerWaalsContact O-CA 3.23Å; L577-T629 WeakPolarHBondContact O-CA 3.34Å; L577-T629 WeakPolarHBondContact O-CG2 3.5Å; L577-I630 PolarHBondContact O-N 3.29Å
578P97.4Very high96.7Very high4 Ų438.8 Ų38.83%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-69.8129.9172.926.9-33.1000111S580 F585 I589 D607 R615 I630P578-S580 PolarHBondContact O-N 3.39Å; P578-S580 VanDerWaalsContact O-N 3.14Å; P578-F585 HydrophobicContact CB-CB 4.47Å; P578-F585 HydrophobicContact CB-CD2 3.99Å; P578-I589 HydrophobicContact CB-CD1 3.81Å; P578-I589 HydrophobicContact CG-CD1 3.94Å; P578-D607 HydrophobicContact CG-CB 3.95Å; P578-R615 PolarHBondContact O-NH1 2.88Å; P578-R615 PolarHBondContact O-NH2 2.92Å; P578-I630 CarbonylContact C-O 3.49Å
579L95.2Very high96.9Very high74 Ų7437 Ų3739%0.38721%0.212SC..SBendtrans-57.3-34.2-176.4-176.165.6000112.3L577 F585 I612 R615 T629 I630 D631 F632L577-L579 PolarHBondContact O-N 2.95Å; L579-F585 HydrophobicContact CB-CE2 4.36Å; L579-I612 HydrophobicContact CD1-CB 4.28Å; L579-I612 HydrophobicContact CD1-CG2 4.46Å; L579-R615 PolarHBondContact O-NH2 3.23Å; L579-T629 HydrophobicContact CB-CG2 4.45Å; L579-I630 WeakPolarHBondContact CB-O 3.45Å; L579-I630 PolarHBondContact N-O 3.39Å; L579-D631 HydrophobicContact CB-CB 4.11Å; L579-D631 HydrophobicContact CD2-CB 3.82Å; L579-F632 HydrophobicContact CD2-CD2 4.37Å
580S93.9Very high96.9Very high45 Ų4542.6 Ų42.632%0.31524%0.239SC..SBendtrans-144.8173.3175.670.40000110.8P578 H582 F585P578-S580 PolarHBondContact O-N 3.39Å; P578-S580 VanDerWaalsContact O-N 3.14Å; S580-H582 PolarHBondContact O-N 2.93Å; S580-F585 WeakPolarHBondContact O-CD2 3.32Å
581A92.2Very high96.9Very high102 Ų10248 Ų4884%0.84326%0.259SS*.  trans-77.324.8176.900000113.7S583A581-S583 PolarHBondContact O-N 2.68Å
582H93.8Very high96.9Very high66 Ų6648 Ų4831%0.30626%0.259SS..  trans-64.2125-179.2-157.1-81.7000110.5S580 E584 F585 F632S580-H582 PolarHBondContact O-N 2.93Å; H582-E584 IonicContact CE1-OE1 3.57Å; H582-E584 WeakPolarHBondContact ND1-CB 3.33Å; H582-E584 PolarHBondContact ND1-N 3.35Å; H582-E584 PolarHBondContact O-N 2.82Å; H582-F585 HydrophobicContact CB-CD2 3.94Å; H582-F585 HydrophobicContact CB-CE1 4.5Å; H582-F585 HydrophobicContact CB-CE2 3.87Å; H582-F585 HydrophobicContact CB-CG 4.3Å; H582-F585 HydrophobicContact CB-CZ 4.15Å; H582-F585 WeakPolarHBondContact O-CB 3.47Å; H582-F585 PolarHBondContact O-N 3.11Å; H582-F585 VanDerWaalsContact O-N 3.07Å; H582-F632 HydrophobicContact CB-CE1 4.44Å; H582-F632 AromaticContact CD2-CE1 3.7Å
583S95.3Very high96.8Very high90 Ų9046.2 Ų46.263%0.62926%0.255SS*.G310 helixtrans-61.3-31.9-174.553.40000113A581 F585 Q586A581-S583 PolarHBondContact O-N 2.68Å; S583-F585 PolarHBondContact O-N 3.17Å; S583-F585 VanDerWaalsContact O-N 3.15Å; S583-Q586 WeakPolarHBondContact O-CB 3.31Å; S583-Q586 WeakPolarHBondContact O-CG 3.24Å; S583-Q586 PolarHBondContact O-N 3.31Å
584E97.1Very high96.8Very high111 Ų11148.1 Ų48.152%0.51927%0.268SS..G310 helixtrans-65.1-13.4177.6-62.4-177.5-151.200114.2H582 Q586 P587 F588 L635H582-E584 IonicContact CE1-OE1 3.57Å; H582-E584 WeakPolarHBondContact ND1-CB 3.33Å; H582-E584 PolarHBondContact ND1-N 3.35Å; H582-E584 PolarHBondContact O-N 2.82Å; E584-Q586 VanDerWaalsContact C-N 3.33Å; E584-P587 WeakPolarHBondContact O-CD 3.49Å; E584-F588 WeakPolarHBondContact O-CD2 3.22Å; E584-F588 WeakPolarHBondContact O-CE2 3.41Å; E584-L635 HydrophobicContact CB-CD1 4.37Å; E584-L635 HydrophobicContact CB-CD2 3.73Å
585F97.3Very high96.8Very high0 Ų050.6 Ų50.60%028%0.281CS..G310 helixtrans-75.3-23.3172.3-63.1-20.7000112.8P578 L579 S580 H582 S583 F588 I589 I630 D631 F632 L635P578-F585 HydrophobicContact CB-CB 4.47Å; P578-F585 HydrophobicContact CB-CD2 3.99Å; L579-F585 HydrophobicContact CB-CE2 4.36Å; S580-F585 WeakPolarHBondContact O-CD2 3.32Å; H582-F585 HydrophobicContact CB-CD2 3.94Å; H582-F585 HydrophobicContact CB-CE1 4.5Å; H582-F585 HydrophobicContact CB-CE2 3.87Å; H582-F585 HydrophobicContact CB-CG 4.3Å; H582-F585 HydrophobicContact CB-CZ 4.15Å; H582-F585 WeakPolarHBondContact O-CB 3.47Å; H582-F585 PolarHBondContact O-N 3.11Å; H582-F585 VanDerWaalsContact O-N 3.07Å; S583-F585 PolarHBondContact O-N 3.17Å; S583-F585 VanDerWaalsContact O-N 3.15Å; F585-F588 PolarHBondContact O-N 3.44Å; F585-F588 VanDerWaalsContact O-N 3.13Å; F585-I589 HydrophobicContact CB-CD1 4.17Å; F585-I589 WeakPolarHBondContact O-CG1 3.29Å; F585-I589 PolarHBondContact O-N 2.99Å; F585-I630 HydrophobicContact CB-CG2 3.84Å; F585-I630 HydrophobicContact CD1-CG2 3.89Å; F585-I630 HydrophobicContact CD2-CG2 4.47Å; F585-I630 HydrophobicContact CG-CG2 3.83Å; F585-D631 VanDerWaalsContact CE1-C 3.44Å; F585-D631 WeakPolarHBondContact CE1-O 3.44Å; F585-D631 VanDerWaalsContact CZ-C 3.49Å; F585-F632 HydrophobicContact CE1-CD1 4.21Å; F585-F632 AromaticContact CZ-CD1 3.94Å; F585-F632 HydrophobicContact CZ-CD1 3.94Å; F585-F632 HydrophobicContact CZ-CD2 4.3Å; F585-F632 HydrophobicContact CZ-CE1 4.02Å; F585-F632 HydrophobicContact CZ-CE2 4.37Å; F585-F632 HydrophobicContact CZ-CG 4.09Å; F585-F632 HydrophobicContact CZ-CZ 4.24Å; F585-L635 HydrophobicContact CD1-CD2 3.79Å; F585-L635 HydrophobicContact CD1-CG 4.26Å; F585-L635 HydrophobicContact CE1-CD1 4.06Å; F585-L635 HydrophobicContact CE1-CD2 3.99Å; F585-L635 HydrophobicContact CE1-CG 3.94Å
586Q97.5Very high96.8Very high96 Ų9650.6 Ų50.645%0.44928%0.281SS..Hα-helixtrans-59-43.3-172.2-67.3-63.4-2900114.5S583 E584 F588 I589 Q590S583-Q586 WeakPolarHBondContact O-CB 3.31Å; S583-Q586 WeakPolarHBondContact O-CG 3.24Å; S583-Q586 PolarHBondContact O-N 3.31Å; E584-Q586 VanDerWaalsContact C-N 3.33Å; Q586-F588 VanDerWaalsContact C-N 3.27Å; Q586-F588 PolarHBondContact O-N 2.71Å; Q586-I589 PolarHBondContact O-N 3.48Å; Q586-Q590 WeakPolarHBondContact O-CB 3.37Å; Q586-Q590 PolarHBondContact O-N 3.02Å
587P97.4Very high96.8Very high85 Ų8554.6 Ų54.655%0.55231%0.305SS*.Hα-helixtrans-59.1-36.6176.5-25.235.8000113.3E584 R591E584-P587 WeakPolarHBondContact O-CD 3.49Å; P587-R591 VanDerWaalsContact O-CB 3.25Å; P587-R591 WeakPolarHBondContact O-CB 3.27Å; P587-R591 PolarHBondContact O-N 2.93Å
588F97.6Very high96.7Very high27 Ų2760.9 Ų60.912%0.11833%0.334CS..Hα-helixtrans-73.2-41178.7-58.2-78.3000112.1E584 F585 Q586 R591 L592 I630 T634 L635 H639 L656E584-F588 WeakPolarHBondContact O-CD2 3.22Å; E584-F588 WeakPolarHBondContact O-CE2 3.41Å; F585-F588 PolarHBondContact O-N 3.44Å; F585-F588 VanDerWaalsContact O-N 3.13Å; Q586-F588 VanDerWaalsContact C-N 3.27Å; Q586-F588 PolarHBondContact O-N 2.71Å; F588-R591 PolarHBondContact O-N 3.14Å; F588-L592 WeakPolarHBondContact O-CB 3.49Å; F588-L592 WeakPolarHBondContact O-CG 3.44Å; F588-L592 PolarHBondContact O-N 3.2Å; F588-I630 HydrophobicContact CB-CG2 4.34Å; F588-T634 HydrophobicContact CB-CG2 4.23Å; F588-T634 HydrophobicContact CD1-CG2 3.93Å; F588-T634 HydrophobicContact CD2-CG2 4.34Å; F588-T634 HydrophobicContact CE1-CG2 4.4Å; F588-T634 HydrophobicContact CG-CG2 3.9Å; F588-L635 HydrophobicContact CD2-CD2 4.25Å; F588-L635 HydrophobicContact CE2-CD2 3.64Å; F588-H639 HydrophobicContact CE1-CB 4.14Å; F588-H639 AromaticContact CE1-CD2 3.86Å; F588-H639 AromaticContact CE1-CE1 3.63Å; F588-H639 AromaticContact CE1-CG 3.54Å; F588-H639 AromaticContact CE1-ND1 3.39Å; F588-H639 WeakPolarHBondContact CE1-ND1 3.47Å; F588-H639 AromaticContact CE1-NE2 3.91Å; F588-H639 AromaticContact CZ-CE1 3.64Å; F588-H639 AromaticContact CZ-ND1 3.65Å; F588-L656 HydrophobicContact CB-CD1 4.18Å; F588-L656 HydrophobicContact CD1-CD1 4.17Å; F588-L656 HydrophobicContact CD1-CD2 4.13Å
589I97.8Very high96.6Very high5 Ų564.1 Ų64.13%0.02635%0.351CS..Hα-helixtrans-60.5-48.7174.3-62.5165.4000109.8I576 P578 F585 Q586 L592 S593 I605 I630I576-I589 HydrophobicContact CG2-CG1 4.23Å; I576-I589 HydrophobicContact CG2-CG2 4.18Å; P578-I589 HydrophobicContact CB-CD1 3.81Å; P578-I589 HydrophobicContact CG-CD1 3.94Å; F585-I589 HydrophobicContact CB-CD1 4.17Å; F585-I589 WeakPolarHBondContact O-CG1 3.29Å; F585-I589 PolarHBondContact O-N 2.99Å; Q586-I589 PolarHBondContact O-N 3.48Å; I589-L592 PolarHBondContact O-N 2.86Å; I589-S593 VanDerWaalsContact O-CB 3.3Å; I589-S593 WeakPolarHBondContact O-CB 3.21Å; I589-S593 PolarHBondContact O-N 3.21Å; I589-I605 HydrophobicContact CG2-CD1 3.89Å; I589-I605 HydrophobicContact CG2-CG1 4.23Å; I589-I605 HydrophobicContact CG2-CG2 4.12Å; I589-I630 HydrophobicContact CG1-CG1 4.2Å
590Q97.3Very high96.6Very high118 Ų11867.9 Ų67.955%0.55137%0.372SS*.Hα-helixtrans-62.6-44.9179.6-17659.254.600111.4Q586 S593 T594Q586-Q590 WeakPolarHBondContact O-CB 3.37Å; Q586-Q590 PolarHBondContact O-N 3.02Å; Q590-S593 PolarHBondContact O-N 3.34Å; Q590-T594 PolarHBondContact NE2-OG1 3.21Å; Q590-T594 PolarHBondContact O-N 3.2Å; Q590-T594 PolarHBondContact O-OG1 2.94Å; Q590-T594 VanDerWaalsContact O-OG1 3.08Å
591R97.3Very high96.8Very high113 Ų11366 Ų6643%0.42636%0.359SS..Hα-helixtrans-59.3-48.8177.2-178.1175179.8173.80.6111.6P587 F588 T594 L595 D657P587-R591 VanDerWaalsContact O-CB 3.25Å; P587-R591 WeakPolarHBondContact O-CB 3.27Å; P587-R591 PolarHBondContact O-N 2.93Å; F588-R591 PolarHBondContact O-N 3.14Å; R591-T594 PolarHBondContact O-N 3.21Å; R591-L595 HydrophobicContact CG-CD1 4.06Å; R591-L595 VanDerWaalsContact O-CG 3.3Å; R591-L595 WeakPolarHBondContact O-CG 3.32Å; R591-L595 PolarHBondContact O-N 2.81Å; R591-D657 IonicContact CZ-OD1 3.58Å; R591-D657 IonicContact CZ-OD2 2.83Å; R591-D657 IonicContact NE-OD1 2.62Å; R591-D657 PolarHBondContact NE-OD1 3.44Å; R591-D657 VanDerWaalsContact NE-OD1 3.08Å; R591-D657 IonicContact NH1-OD1 3.97Å; R591-D657 IonicContact NH1-OD2 2.72Å; R591-D657 IonicContact NH2-OD1 3.98Å; R591-D657 PolarHBondContact NH2-OD1 2.88Å; R591-D657 IonicContact NH2-OD2 3.77Å; R591-D657 PolarHBondContact NH2-OD2 3.2Å
592L97.7Very high97Very high0 Ų063.1 Ų63.10%033%0.332CS..Hα-helixtrans-62.4-44.2177.3-80.4172.5000112I576 F588 I589 T594 L595 L596 I628 I630 L656 L659 P660I576-L592 HydrophobicContact CD1-CB 3.92Å; F588-L592 WeakPolarHBondContact O-CB 3.49Å; F588-L592 WeakPolarHBondContact O-CG 3.44Å; F588-L592 PolarHBondContact O-N 3.2Å; I589-L592 PolarHBondContact O-N 2.86Å; L592-T594 VanDerWaalsContact C-N 3.35Å; L592-T594 PolarHBondContact O-N 3.33Å; L592-L595 PolarHBondContact O-N 2.8Å; L592-L596 WeakPolarHBondContact O-CB 3.36Å; L592-L596 WeakPolarHBondContact O-CD1 3.39Å; L592-L596 VanDerWaalsContact O-CG 3.24Å; L592-L596 WeakPolarHBondContact O-CG 3.47Å; L592-L596 PolarHBondContact O-N 2.76Å; L592-I628 HydrophobicContact CD1-CG2 3.99Å; L592-I630 HydrophobicContact CD1-CD1 3.53Å; L592-I630 HydrophobicContact CD1-CG1 4.49Å; L592-L656 HydrophobicContact CD1-CD1 3.86Å; L592-L656 HydrophobicContact CD1-CG 4.28Å; L592-L656 HydrophobicContact CD2-CG 4.1Å; L592-L656 HydrophobicContact CG-CD1 4.16Å; L592-L656 HydrophobicContact CG-CD2 4.4Å; L592-L656 HydrophobicContact CG-CG 4.09Å; L592-L659 HydrophobicContact CD2-CB 4.21Å; L592-L659 HydrophobicContact CD2-CD1 4.39Å; L592-P660 HydrophobicContact CD2-CG 4.14Å
593S98Very high97.2Very high19 Ų1961.5 Ų61.513%0.13333%0.325CS..Hα-helixtrans-60.1-44.6178.8-179.10000111.8I589 Q590 T597 H603I589-S593 VanDerWaalsContact O-CB 3.3Å; I589-S593 WeakPolarHBondContact O-CB 3.21Å; I589-S593 PolarHBondContact O-N 3.21Å; Q590-S593 PolarHBondContact O-N 3.34Å; S593-T597 WeakPolarHBondContact O-CB 3.3Å; S593-T597 PolarHBondContact O-N 3Å; S593-T597 PolarHBondContact O-OG1 2.81Å; S593-H603 WeakPolarHBondContact CA-NE2 3.38Å; S593-H603 WeakPolarHBondContact CB-NE2 3.47Å; S593-H603 PolarHBondContact O-CE1 2.91Å; S593-H603 VanDerWaalsContact O-CE1 3.31Å; S593-H603 PolarHBondContact OG-NE2 3.4Å
594T97.9Very high97.3Very high56 Ų5661.3 Ų61.334%0.34431%0.312SS..Hα-helixtrans-60-52.3175.1-62.60000111.1Q590 R591 L592 L596 T597 E598Q590-T594 PolarHBondContact NE2-OG1 3.21Å; Q590-T594 PolarHBondContact O-N 3.2Å; Q590-T594 PolarHBondContact O-OG1 2.94Å; Q590-T594 VanDerWaalsContact O-OG1 3.08Å; R591-T594 PolarHBondContact O-N 3.21Å; L592-T594 VanDerWaalsContact C-N 3.35Å; L592-T594 PolarHBondContact O-N 3.33Å; T594-L596 PolarHBondContact O-N 3.22Å; T594-T597 WeakPolarHBondContact O-CB 3.2Å; T594-T597 PolarHBondContact O-N 2.94Å; T594-T597 VanDerWaalsContact O-N 3.15Å; T594-E598 WeakPolarHBondContact CG2-OE1 3.26Å; T594-E598 WeakPolarHBondContact O-CG 3.27Å; T594-E598 PolarHBondContact O-N 3.47Å
595L97.9Very high97.3Very high51 Ų5159.1 Ų59.127%0.26730%0.304SS..Hα-helixtrans-63.7-37.6-177.9-67.2171.5000113.1R591 L592 L599 P660R591-L595 HydrophobicContact CG-CD1 4.06Å; R591-L595 VanDerWaalsContact O-CG 3.3Å; R591-L595 WeakPolarHBondContact O-CG 3.32Å; R591-L595 PolarHBondContact O-N 2.81Å; L592-L595 PolarHBondContact O-N 2.8Å; L595-L599 WeakPolarHBondContact O-CG 3.36Å; L595-L599 PolarHBondContact O-N 3.13Å; L595-P660 HydrophobicContact CB-CB 4.06Å; L595-P660 HydrophobicContact CB-CG 3.6Å; L595-P660 HydrophobicContact CD1-CG 4.11Å
596L98.1Very high97.3Very high0 Ų059.9 Ų59.90%031%0.307CS..Hα-helixtrans-66.3-41174.7-72.8163.7000111.3I576 L592 T594 L599 N600 V601 H603 P660 I663I576-L596 HydrophobicContact CD1-CD1 3.93Å; I576-L596 HydrophobicContact CG1-CD1 4.32Å; L592-L596 WeakPolarHBondContact O-CB 3.36Å; L592-L596 WeakPolarHBondContact O-CD1 3.39Å; L592-L596 VanDerWaalsContact O-CG 3.24Å; L592-L596 WeakPolarHBondContact O-CG 3.47Å; L592-L596 PolarHBondContact O-N 2.76Å; T594-L596 PolarHBondContact O-N 3.22Å; L596-L599 PolarHBondContact O-N 3.42Å; L596-N600 PolarHBondContact O-N 3.37Å; L596-V601 HydrophobicContact CB-CB 4.3Å; L596-V601 HydrophobicContact CD2-CB 3.95Å; L596-V601 HydrophobicContact CD2-CG1 3.73Å; L596-V601 WeakPolarHBondContact O-CB 3.34Å; L596-V601 PolarHBondContact O-N 3.1Å; L596-H603 HydrophobicContact CD1-CB 4.07Å; L596-P660 HydrophobicContact CD2-CB 4.07Å; L596-P660 HydrophobicContact CG-CB 4.33Å; L596-P660 HydrophobicContact CG-CG 4.46Å; L596-I663 HydrophobicContact CD2-CB 4.42Å
597T97.4Very high97.1Very high84 Ų8460.2 Ų60.252%0.51531%0.313SS..Hα-helixtrans-63.3-42.9177.3-54.60000111.4S593 T594 L599 N600 H603S593-T597 WeakPolarHBondContact O-CB 3.3Å; S593-T597 PolarHBondContact O-N 3Å; S593-T597 PolarHBondContact O-OG1 2.81Å; T594-T597 WeakPolarHBondContact O-CB 3.2Å; T594-T597 PolarHBondContact O-N 2.94Å; T594-T597 VanDerWaalsContact O-N 3.15Å; T597-L599 PolarHBondContact O-N 2.95Å; T597-N600 PolarHBondContact O-N 2.7Å; T597-H603 PolarHBondContact OG1-CE1 3.3Å
598E96.7Very high96.9Very high132 Ų13258 Ų5862%0.61730%0.299SS*.Hα-helixtrans-59.6-31.1176.8-73.4173.5-17900112.6T594 N600T594-E598 WeakPolarHBondContact CG2-OE1 3.26Å; T594-E598 WeakPolarHBondContact O-CG 3.27Å; T594-E598 PolarHBondContact O-N 3.47Å; E598-N600 VanDerWaalsContact C-N 3.32Å
599L96Very high96.4Very high72 Ų7261.2 Ų61.238%0.37734%0.339SS..THydrogen-bonded Turntrans-87.77.1175.1-65.6177000113.9L595 L596 T597 V601 P660 N664L595-L599 WeakPolarHBondContact O-CG 3.36Å; L595-L599 PolarHBondContact O-N 3.13Å; L596-L599 PolarHBondContact O-N 3.42Å; T597-L599 PolarHBondContact O-N 2.95Å; L599-V601 HydrophobicContact CB-CG2 3.88Å; L599-V601 PolarHBondContact O-N 3.33Å; L599-P660 HydrophobicContact CD1-CB 3.66Å; L599-N664 HydrophobicContact CD1-CB 4.46Å
600N95Very high95.9Very high154 Ų15462 Ų6282%0.82435%0.349SS*.THydrogen-bonded Turntrans56.630-173.4-58.9-71.8000113.8L596 T597 E598L596-N600 PolarHBondContact O-N 3.37Å; T597-N600 PolarHBondContact O-N 2.7Å; E598-N600 VanDerWaalsContact C-N 3.32Å
601V96.5Very high95.8Very high6 Ų659.5 Ų59.54%0.03635%0.345CS..  trans-91.7106.4177.9-179.20000109.2K573 L596 L599 H603 I663 N664K573-V601 HydrophobicContact CB-CG1 3.66Å; K573-V601 HydrophobicContact CG-CG1 4.03Å; L596-V601 HydrophobicContact CB-CB 4.3Å; L596-V601 HydrophobicContact CD2-CB 3.95Å; L596-V601 HydrophobicContact CD2-CG1 3.73Å; L596-V601 WeakPolarHBondContact O-CB 3.34Å; L596-V601 PolarHBondContact O-N 3.1Å; L599-V601 HydrophobicContact CB-CG2 3.88Å; L599-V601 PolarHBondContact O-N 3.33Å; V601-H603 PolarHBondContact O-N 2.98Å; V601-H603 PolarHBondContact O-ND1 3.47Å; V601-H603 VanDerWaalsContact O-ND1 3.07Å; V601-I663 HydrophobicContact CG1-CG2 3.59Å; V601-N664 HydrophobicContact CG2-CB 4.02Å
602S97.2Very high95.6Very high40 Ų4056.3 Ų56.328%0.2834%0.335SS..  trans-62.9130.317662.20000110.6P571 Y572 K573 C574P571-S602 PolarHBondContact O-OG 2.86Å; Y572-S602 WeakPolarHBondContact CA-OG 3.26Å; K573-S602 WeakPolarHBondContact CB-O 3.45Å; K573-S602 PolarHBondContact N-O 3.22Å; C574-S602 PolarHBondContact N-O 3.02Å
603H98.2Very high95.4Very high33 Ų3358.1 Ų58.115%0.15335%0.354CS..EExtended strand (participates in β ladder)trans-142.1159.4-177.861.5-80.8000111.8C574 S593 L596 T597 V601C574-H603 CarbonylContact O-C 3.58Å; C574-H603 WeakPolarHBondContact O-CA 3.23Å; C574-H603 WeakPolarHBondContact O-CB 3.33Å; S593-H603 WeakPolarHBondContact CA-NE2 3.38Å; S593-H603 WeakPolarHBondContact CB-NE2 3.47Å; S593-H603 PolarHBondContact O-CE1 2.91Å; S593-H603 VanDerWaalsContact O-CE1 3.31Å; S593-H603 PolarHBondContact OG-NE2 3.4Å; L596-H603 HydrophobicContact CD1-CB 4.07Å; T597-H603 PolarHBondContact OG1-CE1 3.3Å; V601-H603 PolarHBondContact O-N 2.98Å; V601-H603 PolarHBondContact O-ND1 3.47Å; V601-H603 VanDerWaalsContact O-ND1 3.07Å
604K97.4Very high95.2Very high85 Ų8566 Ų6637%0.3738%0.381SS..EExtended strand (participates in β ladder)trans-122.8126177.6-176.7176.5179.162.60110.6Y572 C574 S575 I576 I622 I624Y572-K604 HydrophobicContact CD1-CB 4.43Å; Y572-K604 HydrophobicContact CG-CB 4.3Å; C574-K604 PolarHBondContact O-N 3.02Å; S575-K604 CarbonylContact C-O 3.57Å; S575-K604 WeakPolarHBondContact CA-O 3.42Å; I576-K604 PolarHBondContact N-O 3.43Å; K604-I622 HydrophobicContact CD-CD1 3.81Å; K604-I624 HydrophobicContact CB-CD1 4.15Å; K604-I624 HydrophobicContact CD-CD1 4.44Å
605I97.5Very high95.1Very high66 Ų6663.7 Ų63.734%0.33837%0.366SS..EExtended strand (participates in β ladder)trans-87.5128.9168.6-58.2165.8000107.9I576 I589I576-I605 HydrophobicContact CB-CG1 4.26Å; I576-I605 HydrophobicContact CD1-CG1 4.27Å; I576-I605 WeakPolarHBondContact O-CA 3.35Å; I589-I605 HydrophobicContact CG2-CD1 3.89Å; I589-I605 HydrophobicContact CG2-CG1 4.23Å; I589-I605 HydrophobicContact CG2-CG2 4.12Å
606D96.3Very high95Very high15 Ų1562.1 Ų62.18%0.0836%0.357CS..  trans-127.190.8171.71777.2000109.8I576 L577 S608 R615 R618I576-D606 PolarHBondContact O-N 3Å; I576-D606 VanDerWaalsContact O-N 3.08Å; L577-D606 HydrophobicContact CD2-CB 3.63Å; D606-S608 WeakPolarHBondContact OD1-CB 3.25Å; D606-S608 PolarHBondContact OD1-N 3.2Å; D606-S608 PolarHBondContact OD1-OG 2.8Å; D606-R615 PolarHBondContact O-NH1 2.75Å; D606-R615 WeakPolarHBondContact OD2-CG 3.37Å; D606-R618 VanDerWaalsContact CG-NH2 3.3Å; D606-R618 IonicContact OD1-NH2 3.09Å; D606-R618 PolarHBondContact OD1-NH2 3.04Å; D606-R618 VanDerWaalsContact OD1-NH2 3.09Å; D606-R618 IonicContact OD2-CZ 3.48Å; D606-R618 IonicContact OD2-NE 3.96Å; D606-R618 IonicContact OD2-NH2 2.7Å; D606-R618 PolarHBondContact OD2-NH2 2.9Å
607D93.6Very high94.9Very high104 Ų10463.2 Ų63.256%0.55637%0.366SS*.  trans-94.411.4178.763.4-12.7000113.2P578P578-D607 HydrophobicContact CG-CB 3.95Å
608S93.3Very high94.8Very high39 Ų3963.7 Ų63.727%0.27336%0.358SS..SBendtrans-69.1154.1-178.967.60000112.7D606 G610 R615 R618D606-S608 WeakPolarHBondContact OD1-CB 3.25Å; D606-S608 PolarHBondContact OD1-N 3.2Å; D606-S608 PolarHBondContact OD1-OG 2.8Å; S608-G610 PolarHBondContact O-N 3.4Å; S608-R615 PolarHBondContact O-NE 2.63Å; S608-R618 PolarHBondContact OG-NH2 2.87Å
609G88Confident94.8Very high93 Ų9357.6 Ų57.696%0.95933%0.33SS*.SBendtrans-68.613.5-173.300000117.1
610G87.5Confident94.9Very high22 Ų2254.3 Ų54.323%0.22731%0.313CS..SBendtrans-75.4149.9176.300000112.7S608 R615S608-G610 PolarHBondContact O-N 3.4Å; G610-R615 PolarHBondContact O-NE 3.07Å
611S93.6Very high95Very high66 Ų6648 Ų4846%0.46228%0.278SS..  trans-50.2146.8169.4630000111.1G613 R614 R615S611-G613 PolarHBondContact O-N 2.75Å; S611-G613 VanDerWaalsContact O-N 3.14Å; S611-R614 PolarHBondContact O-N 3.49Å; S611-R614 WeakPolarHBondContact OG-CB 3.47Å; S611-R614 VanDerWaalsContact OG-CG 3.29Å; S611-R614 WeakPolarHBondContact OG-CG 3.2Å; S611-R614 PolarHBondContact OG-N 2.73Å; S611-R615 PolarHBondContact O-N 2.84Å; S611-R615 VanDerWaalsContact O-N 3.15Å
612I93.8Very high95Very high45 Ų4548.4 Ų48.423%0.23128%0.28CS..Hα-helixtrans-54.5-38-178.7-166.963000112.8L577 L579 R614 R615 Y616 T629L577-I612 HydrophobicContact CB-CD1 3.84Å; L577-I612 HydrophobicContact CD1-CD1 4.1Å; L579-I612 HydrophobicContact CD1-CB 4.28Å; L579-I612 HydrophobicContact CD1-CG2 4.46Å; I612-R614 PolarHBondContact O-N 2.84Å; I612-R615 PolarHBondContact O-N 3Å; I612-R615 VanDerWaalsContact O-N 3.14Å; I612-Y616 HydrophobicContact CD1-CE1 4.32Å; I612-Y616 HydrophobicContact CG1-CD2 4.16Å; I612-Y616 HydrophobicContact CG1-CE1 4.28Å; I612-Y616 HydrophobicContact CG1-CE2 3.63Å; I612-Y616 WeakPolarHBondContact O-CD2 3.33Å; I612-Y616 PolarHBondContact O-N 3.5Å; I612-T629 HydrophobicContact CD1-CG2 3.89Å; I612-T629 HydrophobicContact CG1-CG2 4.33Å
613G93.1Very high95.1Very high39 Ų3946.5 Ų46.540%0.40227%0.266SS..Hα-helixtrans-61.9-4017600000114.2S611 R615 Y616 A617S611-G613 PolarHBondContact O-N 2.75Å; S611-G613 VanDerWaalsContact O-N 3.14Å; G613-R615 VanDerWaalsContact C-N 3.32Å; G613-Y616 PolarHBondContact O-N 3.49Å; G613-A617 PolarHBondContact O-N 3.44Å
614R93.8Very high95.1Very high184 Ų18444.9 Ų44.969%0.69426%0.259SS*.Hα-helixtrans-66.8-34.8173.8-73178.7-169172.94.1111.8S611 I612 A617 R618S611-R614 PolarHBondContact O-N 3.49Å; S611-R614 WeakPolarHBondContact OG-CB 3.47Å; S611-R614 VanDerWaalsContact OG-CG 3.29Å; S611-R614 WeakPolarHBondContact OG-CG 3.2Å; S611-R614 PolarHBondContact OG-N 2.73Å; I612-R614 PolarHBondContact O-N 2.84Å; R614-A617 PolarHBondContact O-N 3.27Å; R614-R618 PolarHBondContact O-N 3.25Å
615R96.2Very high95.1Very high7 Ų741.2 Ų41.23%0.02624%0.244CC..Hα-helixtrans-69.5-44.5176-67.8-166.8-86.8155.70.2111.5L577 P578 L579 D606 S608 G610 S611 I612 G613 A617 R618 T619L577-R615 HydrophobicContact CD1-CB 4.39Å; L577-R615 HydrophobicContact CD2-CB 4.37Å; P578-R615 PolarHBondContact O-NH1 2.88Å; P578-R615 PolarHBondContact O-NH2 2.92Å; L579-R615 PolarHBondContact O-NH2 3.23Å; D606-R615 PolarHBondContact O-NH1 2.75Å; D606-R615 WeakPolarHBondContact OD2-CG 3.37Å; S608-R615 PolarHBondContact O-NE 2.63Å; G610-R615 PolarHBondContact O-NE 3.07Å; S611-R615 PolarHBondContact O-N 2.84Å; S611-R615 VanDerWaalsContact O-N 3.15Å; I612-R615 PolarHBondContact O-N 3Å; I612-R615 VanDerWaalsContact O-N 3.14Å; G613-R615 VanDerWaalsContact C-N 3.32Å; R615-A617 VanDerWaalsContact C-N 3.32Å; R615-A617 PolarHBondContact O-N 3.06Å; R615-R618 PolarHBondContact O-N 3.07Å; R615-T619 PolarHBondContact O-N 3.18Å; R615-T619 PolarHBondContact O-OG1 2.73Å
616Y96.2Very high95.1Very high19 Ų1938.7 Ų38.78%0.07523%0.23CC..Hα-helixtrans-55.6-45.1169.2-68.7-37.4000112.2L577 I612 G613 R618 T619 D620 A627 T629 R644 Q651L577-Y616 HydrophobicContact CD1-CD1 3.43Å; L577-Y616 VanDerWaalsContact CD1-CD1 3.43Å; L577-Y616 HydrophobicContact CD1-CE1 3.47Å; L577-Y616 VanDerWaalsContact CD1-CE1 3.47Å; I612-Y616 HydrophobicContact CD1-CE1 4.32Å; I612-Y616 HydrophobicContact CG1-CD2 4.16Å; I612-Y616 HydrophobicContact CG1-CE1 4.28Å; I612-Y616 HydrophobicContact CG1-CE2 3.63Å; I612-Y616 WeakPolarHBondContact O-CD2 3.33Å; I612-Y616 PolarHBondContact O-N 3.5Å; G613-Y616 PolarHBondContact O-N 3.49Å; Y616-R618 VanDerWaalsContact C-N 3.34Å; Y616-R618 PolarHBondContact O-N 2.89Å; Y616-T619 WeakPolarHBondContact O-CB 3.38Å; Y616-T619 PolarHBondContact O-N 2.99Å; Y616-D620 WeakPolarHBondContact O-CB 3.43Å; Y616-D620 PolarHBondContact O-N 3.37Å; Y616-A627 HydrophobicContact CD1-CB 3.86Å; Y616-A627 HydrophobicContact CE1-CB 3.72Å; Y616-T629 PolarHBondContact OH-OG1 3.33Å; Y616-R644 HydrophobicContact CE1-CB 4.47Å; Y616-Q651 PolarHBondContact OH-OE1 2.84Å
617A95.2Very high95.2Very high22 Ų2238 Ų3818%0.18223%0.227CC..Hα-helixtrans-59.6-43.5177.500000112.3G613 R614 R615 D620 E621G613-A617 PolarHBondContact O-N 3.44Å; R614-A617 PolarHBondContact O-N 3.27Å; R615-A617 VanDerWaalsContact C-N 3.32Å; R615-A617 PolarHBondContact O-N 3.06Å; A617-D620 PolarHBondContact O-N 3.06Å; A617-E621 WeakPolarHBondContact O-CB 3.23Å; A617-E621 VanDerWaalsContact O-CG 3.3Å; A617-E621 WeakPolarHBondContact O-CG 3.4Å; A617-E621 PolarHBondContact O-N 3.28Å
618R95.2Very high95.5Very high95 Ų9533 Ų3336%0.35820%0.2SC..Hα-helixtrans-65.5-38.5175.5-71.2-169.8-56.6-161.4-2.4113D606 S608 R614 R615 Y616 E621 I622D606-R618 VanDerWaalsContact CG-NH2 3.3Å; D606-R618 IonicContact OD1-NH2 3.09Å; D606-R618 PolarHBondContact OD1-NH2 3.04Å; D606-R618 VanDerWaalsContact OD1-NH2 3.09Å; D606-R618 IonicContact OD2-CZ 3.48Å; D606-R618 IonicContact OD2-NE 3.96Å; D606-R618 IonicContact OD2-NH2 2.7Å; D606-R618 PolarHBondContact OD2-NH2 2.9Å; S608-R618 PolarHBondContact OG-NH2 2.87Å; R614-R618 PolarHBondContact O-N 3.25Å; R615-R618 PolarHBondContact O-N 3.07Å; Y616-R618 VanDerWaalsContact C-N 3.34Å; Y616-R618 PolarHBondContact O-N 2.89Å; R618-E621 PolarHBondContact O-N 3.32Å; R618-I622 WeakPolarHBondContact O-CG1 3.49Å; R618-I622 PolarHBondContact O-N 3.25Å
619T97.2Very high95.7Very high4 Ų431.4 Ų31.43%0.02519%0.189CC..Hα-helixtrans-59.9-47173.5-680000110.9S575 R615 Y616 I622 I624 A627S575-T619 VanDerWaalsContact OG-CG2 3.29Å; S575-T619 WeakPolarHBondContact OG-CG2 3.42Å; S575-T619 PolarHBondContact OG-OG1 2.81Å; R615-T619 PolarHBondContact O-N 3.18Å; R615-T619 PolarHBondContact O-OG1 2.73Å; Y616-T619 WeakPolarHBondContact O-CB 3.38Å; Y616-T619 PolarHBondContact O-N 2.99Å; T619-I622 WeakPolarHBondContact O-CG1 3.38Å; T619-I622 PolarHBondContact O-N 3.06Å; T619-I624 HydrophobicContact CG2-CB 3.54Å; T619-I624 HydrophobicContact CG2-CD1 4.18Å; T619-I624 HydrophobicContact CG2-CG1 4.39Å; T619-I624 HydrophobicContact CG2-CG2 3.67Å; T619-I624 PolarHBondContact O-N 3.37Å; T619-A627 HydrophobicContact CG2-CB 4.36Å
620D97.6Very high96.1Very high3 Ų327 Ų272%0.01614%0.143CC..Hα-helixtrans-63.9-43.4179.2-61.4-11.2000111.1R554 Y562 Y616 A617 I622 A623 R644 R646R554-D620 IonicContact CZ-OD2 3.17Å; R554-D620 IonicContact NE-OD2 2.69Å; R554-D620 IonicContact NH2-OD2 2.57Å; R554-D620 PolarHBondContact NH2-OD2 3.01Å; Y562-D620 WeakPolarHBondContact CB-O 3.37Å; Y562-D620 HydrophobicContact CG-CB 4.4Å; Y616-D620 WeakPolarHBondContact O-CB 3.43Å; Y616-D620 PolarHBondContact O-N 3.37Å; A617-D620 PolarHBondContact O-N 3.06Å; D620-I622 PolarHBondContact O-N 3.19Å; D620-A623 WeakPolarHBondContact O-CA 3.38Å; D620-A623 PolarHBondContact O-N 2.9Å; D620-R644 IonicContact OD1-CZ 3.76Å; D620-R644 IonicContact OD1-NH1 3.12Å; D620-R644 PolarHBondContact OD1-NH1 3.32Å; D620-R644 IonicContact OD1-NH2 3.48Å; D620-R644 PolarHBondContact OD1-NH2 2.74Å; D620-R644 IonicContact OD2-CZ 3.43Å; D620-R644 IonicContact OD2-NH1 3.13Å; D620-R644 IonicContact OD2-NH2 3.23Å; D620-R644 PolarHBondContact OD2-NH2 2.89Å; D620-R646 HydrophobicContact CB-CG 4.09Å
621E97.3Very high96.5Very high20 Ų2026.5 Ų26.59%0.09314%0.135CC..Hα-helixtrans-58.6-29.4178.7-82.3177.4139.300113.9L89 R92 R93 T561 A617 R618 A623L89-E621 HydrophobicContact CD1-CB 3.79Å; L89-E621 HydrophobicContact CD1-CG 3.7Å; R92-E621 IonicContact CZ-OE1 3.48Å; R92-E621 IonicContact NH1-OE1 2.78Å; R92-E621 PolarHBondContact NH1-OE1 3.08Å; R92-E621 IonicContact NH1-OE2 3.87Å; R92-E621 IonicContact NH2-OE1 2.84Å; R92-E621 PolarHBondContact NH2-OE1 2.71Å; R93-E621 HydrophobicContact CG-CB 4.23Å; R93-E621 IonicContact CZ-OE2 3.55Å; R93-E621 IonicContact NE-OE1 2.65Å; R93-E621 IonicContact NE-OE2 2.73Å; R93-E621 PolarHBondContact NE-OE2 3.2Å; R93-E621 IonicContact NH2-OE1 3.01Å; R93-E621 PolarHBondContact NH2-OE1 3.42Å; R93-E621 IonicContact NH2-OE2 3.85Å; R93-E621 PolarHBondContact NH2-OE2 2.91Å; T561-E621 VanDerWaalsContact O-CG 3.25Å; T561-E621 WeakPolarHBondContact O-CG 3.41Å; A617-E621 WeakPolarHBondContact O-CB 3.23Å; A617-E621 VanDerWaalsContact O-CG 3.3Å; A617-E621 WeakPolarHBondContact O-CG 3.4Å; A617-E621 PolarHBondContact O-N 3.28Å; R618-E621 PolarHBondContact O-N 3.32Å; E621-A623 VanDerWaalsContact C-N 3.34Å
622I97.5Very high96.6Very high15 Ų1528.1 Ų28.18%0.07713%0.134CC..THydrogen-bonded Turntrans-98.520.5174.562.4172.3000113R93 V115 Y572 K604 R618 T619 D620 I624R93-I622 HydrophobicContact CB-CG2 3.93Å; R93-I622 HydrophobicContact CG-CG2 4.01Å; V115-I622 HydrophobicContact CG1-CB 4.11Å; V115-I622 HydrophobicContact CG1-CG2 4.47Å; V115-I622 HydrophobicContact CG2-CB 4.33Å; V115-I622 HydrophobicContact CG2-CG2 4.06Å; Y572-I622 HydrophobicContact CD2-CD1 4.36Å; K604-I622 HydrophobicContact CD-CD1 3.81Å; R618-I622 WeakPolarHBondContact O-CG1 3.49Å; R618-I622 PolarHBondContact O-N 3.25Å; T619-I622 WeakPolarHBondContact O-CG1 3.38Å; T619-I622 PolarHBondContact O-N 3.06Å; D620-I622 PolarHBondContact O-N 3.19Å; I622-I624 VanDerWaalsContact C-N 3.25Å; I622-I624 HydrophobicContact CD1-CD1 3.47Å; I622-I624 VanDerWaalsContact CD1-CD1 3.47Å; I622-I624 HydrophobicContact CD1-CG1 4.08Å; I622-I624 HydrophobicContact CG1-CD1 3.79Å; I622-I624 HydrophobicContact CG1-CG1 3.88Å; I622-I624 PolarHBondContact O-N 3.08Å
623A97.9Very high96.7Very high0 Ų029.1 Ų29.10%014%0.14CC..THydrogen-bonded Turntrans64.318.5172.300000116L563 L565 A570 D620 E621 P625 R646L563-A623 HydrophobicContact CB-CB 3.72Å; L563-A623 HydrophobicContact CD1-CB 4.49Å; L563-A623 WeakPolarHBondContact O-CA 3.44Å; L563-A623 WeakPolarHBondContact O-CB 3.13Å; L565-A623 HydrophobicContact CB-CB 4.03Å; L565-A623 HydrophobicContact CD1-CB 3.5Å; L565-A623 VanDerWaalsContact CD1-CB 3.5Å; L565-A623 HydrophobicContact CG-CB 3.73Å; A570-A623 WeakPolarHBondContact CB-O 3.41Å; D620-A623 WeakPolarHBondContact O-CA 3.38Å; D620-A623 PolarHBondContact O-N 2.9Å; E621-A623 VanDerWaalsContact C-N 3.34Å; A623-P625 WeakPolarHBondContact O-CD 3.44Å; A623-R646 PolarHBondContact O-NH1 3.4Å
624I98.4Very high96.9Very high0 Ų027.3 Ų27.30%012%0.121CC..  trans-69.8122.6177.7-65.8175.1000108.7Y572 K604 T619 I622 F626Y572-I624 HydrophobicContact CD2-CD1 4.06Å; Y572-I624 HydrophobicContact CD2-CG1 4.33Å; Y572-I624 HydrophobicContact CG-CD1 4.28Å; K604-I624 HydrophobicContact CB-CD1 4.15Å; K604-I624 HydrophobicContact CD-CD1 4.44Å; T619-I624 HydrophobicContact CG2-CB 3.54Å; T619-I624 HydrophobicContact CG2-CD1 4.18Å; T619-I624 HydrophobicContact CG2-CG1 4.39Å; T619-I624 HydrophobicContact CG2-CG2 3.67Å; T619-I624 PolarHBondContact O-N 3.37Å; I622-I624 VanDerWaalsContact C-N 3.25Å; I622-I624 HydrophobicContact CD1-CD1 3.47Å; I622-I624 VanDerWaalsContact CD1-CD1 3.47Å; I622-I624 HydrophobicContact CD1-CG1 4.08Å; I622-I624 HydrophobicContact CG1-CD1 3.79Å; I622-I624 HydrophobicContact CG1-CG1 3.88Å; I622-I624 PolarHBondContact O-N 3.08Å; I624-F626 VanDerWaalsContact CG2-O 3.23Å; I624-F626 WeakPolarHBondContact CG2-O 3.39Å
625P98Very high97Very high7 Ų720.7 Ų20.75%0.04510%0.099CC..  trans-76-27.8-173.129.2-34.8000112.8A567 A570 Y572 K573 A623 E645 R646A567-P625 HydrophobicContact CB-CB 4.25Å; A567-P625 HydrophobicContact CB-CG 3.89Å; A570-P625 HydrophobicContact CB-CG 4.19Å; Y572-P625 WeakPolarHBondContact O-CD 3.47Å; K573-P625 WeakPolarHBondContact O-CD 3.45Å; K573-P625 VanDerWaalsContact O-CG 3.28Å; K573-P625 WeakPolarHBondContact O-CG 3.4Å; A623-P625 WeakPolarHBondContact O-CD 3.44Å; P625-E645 WeakPolarHBondContact O-CA 3.39Å; P625-R646 WeakPolarHBondContact O-CB 3.31Å; P625-R646 PolarHBondContact O-N 2.56Å
626F98.5Very high97Very high13 Ų1323.9 Ų23.96%0.05712%0.122CC..EExtended strand (participates in β ladder)trans-128.5141.2-173.6-53.1-62.2000113.3A567 K573 C574 S575 I624 L643 R644 E645 I663 L666 V667 W673A567-F626 HydrophobicContact CB-CE2 4.16Å; K573-F626 WeakPolarHBondContact O-CD2 3.39Å; C574-F626 CarbonylContact C-O 3.54Å; C574-F626 WeakPolarHBondContact CA-O 3.2Å; C574-F626 HydrophobicContact CB-CB 4.04Å; C574-F626 WeakPolarHBondContact CB-O 3.32Å; S575-F626 PolarHBondContact N-O 3.19Å; I624-F626 VanDerWaalsContact CG2-O 3.23Å; I624-F626 WeakPolarHBondContact CG2-O 3.39Å; F626-L643 HydrophobicContact CB-CD1 4.01Å; F626-R644 CarbonylContact C-O 3.51Å; F626-R644 VanDerWaalsContact CA-O 3.24Å; F626-R644 WeakPolarHBondContact CA-O 3.5Å; F626-E645 HydrophobicContact CD1-CB 4.26Å; F626-E645 HydrophobicContact CD1-CG 4.26Å; F626-E645 HydrophobicContact CE1-CB 4.28Å; F626-E645 HydrophobicContact CE1-CG 3.87Å; F626-I663 HydrophobicContact CB-CD1 3.57Å; F626-I663 HydrophobicContact CD2-CD1 3.84Å; F626-I663 HydrophobicContact CD2-CG2 4.47Å; F626-I663 HydrophobicContact CG-CD1 3.76Å; F626-L666 HydrophobicContact CD1-CD1 4.25Å; F626-L666 HydrophobicContact CE1-CB 4.45Å; F626-L666 HydrophobicContact CE1-CD1 3.82Å; F626-L666 HydrophobicContact CE2-CB 3.67Å; F626-L666 HydrophobicContact CE2-CD1 4.16Å; F626-L666 HydrophobicContact CZ-CB 3.59Å; F626-L666 HydrophobicContact CZ-CD1 3.79Å; F626-L666 HydrophobicContact CZ-CD2 4.26Å; F626-L666 HydrophobicContact CZ-CG 4.1Å; F626-V667 HydrophobicContact CE2-CG2 4.43Å; F626-W673 HydrophobicContact CE1-CE3 4.38Å
627A98.3Very high96.9Very high1 Ų131.4 Ų31.41%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-126.1126.6172.500000110.9S575 L577 Y616 T619 L643 R644S575-A627 CarbonylContact O-C 3.56Å; S575-A627 WeakPolarHBondContact O-CA 3.47Å; S575-A627 VanDerWaalsContact OG-CB 3.3Å; S575-A627 WeakPolarHBondContact OG-CB 3.46Å; L577-A627 HydrophobicContact CD1-CB 3.96Å; Y616-A627 HydrophobicContact CD1-CB 3.86Å; Y616-A627 HydrophobicContact CE1-CB 3.72Å; T619-A627 HydrophobicContact CG2-CB 4.36Å; A627-L643 CarbonylContact O-C 3.6Å; A627-L643 WeakPolarHBondContact O-CA 3.46Å; A627-R644 HydrophobicContact CB-CB 4.18Å; A627-R644 PolarHBondContact N-O 2.85Å; A627-R644 PolarHBondContact O-N 3.48Å
628I98.3Very high96.8Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-98.6120.9173.9-60.2168.5000107.7S575 I576 L577 L592 I630 A641 T642 L643 L659 I663S575-I628 PolarHBondContact O-N 3.09Å; I576-I628 CarbonylContact C-O 3.31Å; I576-I628 WeakPolarHBondContact CA-O 3.28Å; L577-I628 PolarHBondContact N-O 3.32Å; L592-I628 HydrophobicContact CD1-CG2 3.99Å; I628-I630 HydrophobicContact CG2-CD1 4.26Å; I628-A641 HydrophobicContact CG2-CB 3.95Å; I628-T642 CarbonylContact C-O 3.58Å; I628-T642 VanDerWaalsContact CA-O 3.23Å; I628-T642 WeakPolarHBondContact CA-O 3.43Å; I628-L643 HydrophobicContact CG1-CD1 4.12Å; I628-L659 HydrophobicContact CD1-CB 4.3Å; I628-L659 HydrophobicContact CD1-CD1 4.37Å; I628-L659 HydrophobicContact CG1-CD1 4.46Å; I628-L659 HydrophobicContact CG1-CD2 4.5Å; I628-L659 HydrophobicContact CG2-CD1 3.81Å; I628-I663 HydrophobicContact CD1-CG1 4.35Å
629T97.9Very high96.9Very high4 Ų433.1 Ų33.13%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-107.5126.3176.3-61.60000110.8L577 L579 I612 Y616 A641 T642L577-T629 CarbonylContact O-C 3.57Å; L577-T629 VanDerWaalsContact O-CA 3.23Å; L577-T629 WeakPolarHBondContact O-CA 3.34Å; L577-T629 WeakPolarHBondContact O-CG2 3.5Å; L579-T629 HydrophobicContact CB-CG2 4.45Å; I612-T629 HydrophobicContact CD1-CG2 3.89Å; I612-T629 HydrophobicContact CG1-CG2 4.33Å; Y616-T629 PolarHBondContact OH-OG1 3.33Å; T629-A641 WeakPolarHBondContact O-CB 3.4Å; T629-T642 VanDerWaalsContact CB-OG1 3.29Å; T629-T642 WeakPolarHBondContact CB-OG1 3.43Å; T629-T642 PolarHBondContact N-O 2.95Å; T629-T642 PolarHBondContact O-N 3.46Å; T629-T642 PolarHBondContact O-OG1 3.43Å
630I97.6Very high96.9Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-95.4119.9176.9-54.6-63.3000108I576 L577 P578 L579 F585 F588 I589 L592 I628 T634 A641 L656I576-I630 HydrophobicContact CG2-CG1 4.06Å; L577-I630 PolarHBondContact O-N 3.29Å; P578-I630 CarbonylContact C-O 3.49Å; L579-I630 WeakPolarHBondContact CB-O 3.45Å; L579-I630 PolarHBondContact N-O 3.39Å; F585-I630 HydrophobicContact CB-CG2 3.84Å; F585-I630 HydrophobicContact CD1-CG2 3.89Å; F585-I630 HydrophobicContact CD2-CG2 4.47Å; F585-I630 HydrophobicContact CG-CG2 3.83Å; F588-I630 HydrophobicContact CB-CG2 4.34Å; I589-I630 HydrophobicContact CG1-CG1 4.2Å; L592-I630 HydrophobicContact CD1-CD1 3.53Å; L592-I630 HydrophobicContact CD1-CG1 4.49Å; I628-I630 HydrophobicContact CG2-CD1 4.26Å; I630-T634 HydrophobicContact CD1-CG2 4.34Å; I630-T634 HydrophobicContact CG2-CG2 4.04Å; I630-A641 HydrophobicContact CD1-CB 3.83Å; I630-L656 HydrophobicContact CD1-CD1 4.02Å
631D95.6Very high96.9Very high12 Ų1234 Ų346%0.06418%0.179CC..  trans-131.1-177.5-174.85832.4000111.6L579 F585 D633 T634 R653L579-D631 HydrophobicContact CB-CB 4.11Å; L579-D631 HydrophobicContact CD2-CB 3.82Å; F585-D631 VanDerWaalsContact CE1-C 3.44Å; F585-D631 WeakPolarHBondContact CE1-O 3.44Å; F585-D631 VanDerWaalsContact CZ-C 3.49Å; D631-D633 PolarHBondContact O-N 2.91Å; D631-D633 WeakPolarHBondContact OD1-CB 3.22Å; D631-D633 PolarHBondContact OD1-N 2.86Å; D631-D633 VanDerWaalsContact OD1-N 3.17Å; D631-T634 PolarHBondContact N-OG1 2.86Å; D631-T634 WeakPolarHBondContact O-CB 3.02Å; D631-T634 PolarHBondContact O-N 3.09Å; D631-T634 PolarHBondContact O-OG1 2.87Å; D631-T634 PolarHBondContact OD1-N 3.17Å; D631-T634 PolarHBondContact OD1-OG1 2.93Å; D631-R653 IonicContact OD1-CZ 3.7Å; D631-R653 IonicContact OD1-NH1 3.36Å; D631-R653 PolarHBondContact OD1-NH1 2.93Å; D631-R653 IonicContact OD1-NH2 2.8Å; D631-R653 PolarHBondContact OD1-NH2 2.9Å; D631-R653 IonicContact OD2-CZ 2.68Å; D631-R653 IonicContact OD2-NH1 3.74Å; D631-R653 PolarHBondContact OD2-NH1 3.11Å; D631-R653 IonicContact OD2-NH2 2.93Å
632F96.1Very high96.9Very high101 Ų10133 Ų3344%0.44318%0.175SC..Hα-helixtrans-64.1-28.5-177.8-69-74.7000113.1L579 H582 F585 T634 L635L579-F632 HydrophobicContact CD2-CD2 4.37Å; H582-F632 HydrophobicContact CB-CE1 4.44Å; H582-F632 AromaticContact CD2-CE1 3.7Å; F585-F632 HydrophobicContact CE1-CD1 4.21Å; F585-F632 AromaticContact CZ-CD1 3.94Å; F585-F632 HydrophobicContact CZ-CD1 3.94Å; F585-F632 HydrophobicContact CZ-CD2 4.3Å; F585-F632 HydrophobicContact CZ-CE1 4.02Å; F585-F632 HydrophobicContact CZ-CE2 4.37Å; F585-F632 HydrophobicContact CZ-CG 4.09Å; F585-F632 HydrophobicContact CZ-CZ 4.24Å; F632-T634 PolarHBondContact O-N 2.9Å; F632-L635 HydrophobicContact CD1-CD1 4.02Å; F632-L635 WeakPolarHBondContact O-CB 3.34Å; F632-L635 PolarHBondContact O-N 3.28Å
633D95.2Very high97Very high66 Ų6632.3 Ų32.335%0.35317%0.171SC..Hα-helixtrans-68.8-23174.5-68.8-16.6000110.8D631 L635 S636 R653 Q686D631-D633 PolarHBondContact O-N 2.91Å; D631-D633 WeakPolarHBondContact OD1-CB 3.22Å; D631-D633 PolarHBondContact OD1-N 2.86Å; D631-D633 VanDerWaalsContact OD1-N 3.17Å; D633-L635 PolarHBondContact O-N 3.47Å; D633-S636 WeakPolarHBondContact O-CB 3.27Å; D633-S636 PolarHBondContact O-N 2.82Å; D633-R653 IonicContact OD2-NH1 2.91Å; D633-Q686 PolarHBondContact OD2-NE2 3.02Å
634T96.8Very high97Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-64.1-29.4173.3-53.40000112.6F588 I630 D631 F632 S636 H639 S640 R653 L656F588-T634 HydrophobicContact CB-CG2 4.23Å; F588-T634 HydrophobicContact CD1-CG2 3.93Å; F588-T634 HydrophobicContact CD2-CG2 4.34Å; F588-T634 HydrophobicContact CE1-CG2 4.4Å; F588-T634 HydrophobicContact CG-CG2 3.9Å; I630-T634 HydrophobicContact CD1-CG2 4.34Å; I630-T634 HydrophobicContact CG2-CG2 4.04Å; D631-T634 PolarHBondContact N-OG1 2.86Å; D631-T634 WeakPolarHBondContact O-CB 3.02Å; D631-T634 PolarHBondContact O-N 3.09Å; D631-T634 PolarHBondContact O-OG1 2.87Å; D631-T634 PolarHBondContact OD1-N 3.17Å; D631-T634 PolarHBondContact OD1-OG1 2.93Å; F632-T634 PolarHBondContact O-N 2.9Å; T634-S636 PolarHBondContact O-N 2.81Å; T634-H639 PolarHBondContact O-ND1 3.04Å; T634-S640 WeakPolarHBondContact CA-O 3.19Å; T634-S640 WeakPolarHBondContact CB-O 3.43Å; T634-S640 WeakPolarHBondContact CG2-O 3.37Å; T634-S640 PolarHBondContact OG1-O 2.97Å; T634-R653 VanDerWaalsContact N-NH2 3.14Å; T634-L656 HydrophobicContact CG2-CD1 3.72Å
635L96.7Very high96.9Very high46 Ų4634 Ų3424%0.24118%0.179CC..Hα-helixtrans-67.1-27.1177-55178.9000111.9E584 F585 F588 F632 D633E584-L635 HydrophobicContact CB-CD1 4.37Å; E584-L635 HydrophobicContact CB-CD2 3.73Å; F585-L635 HydrophobicContact CD1-CD2 3.79Å; F585-L635 HydrophobicContact CD1-CG 4.26Å; F585-L635 HydrophobicContact CE1-CD1 4.06Å; F585-L635 HydrophobicContact CE1-CD2 3.99Å; F585-L635 HydrophobicContact CE1-CG 3.94Å; F588-L635 HydrophobicContact CD2-CD2 4.25Å; F588-L635 HydrophobicContact CE2-CD2 3.64Å; F632-L635 HydrophobicContact CD1-CD1 4.02Å; F632-L635 WeakPolarHBondContact O-CB 3.34Å; F632-L635 PolarHBondContact O-N 3.28Å; D633-L635 PolarHBondContact O-N 3.47Å
636S95.1Very high96.9Very high73 Ų7334 Ų3451%0.5118%0.178SC..SBendtrans-78.5139.9179.9-61.70000111.2D633 T634 P638 H639D633-S636 WeakPolarHBondContact O-CB 3.27Å; D633-S636 PolarHBondContact O-N 2.82Å; T634-S636 PolarHBondContact O-N 2.81Å; S636-P638 CarbonylContact O-C 3.55Å; S636-H639 WeakPolarHBondContact O-CA 3.5Å; S636-H639 PolarHBondContact O-N 3.18Å; S636-H639 PolarHBondContact O-ND1 3.26Å
637F94.1Very high96.7Very high177 Ų17736.4 Ų36.478%0.77619%0.191SC*.SBendtrans-88.5133.1173.4-174.6-91.9000110.4H639F637-H639 AromaticContact CD2-NE2 4Å
638P94.3Very high96.4Very high99 Ų9938.9 Ų38.964%0.64321%0.208SC*.SBendcis-73.6134.13.130.3-35000113.1S636 S640S636-P638 CarbonylContact O-C 3.55Å; P638-S640 PolarHBondContact O-N 3.36Å
639H97.2Very high96.2Very high55 Ų5542.2 Ų42.226%0.25523%0.225SC..PPolyproline II helixtrans-62.9127.3-177.5-58.1-56.2000111.1F588 T634 S636 F637 L656F588-H639 HydrophobicContact CE1-CB 4.14Å; F588-H639 AromaticContact CE1-CD2 3.86Å; F588-H639 AromaticContact CE1-CE1 3.63Å; F588-H639 AromaticContact CE1-CG 3.54Å; F588-H639 AromaticContact CE1-ND1 3.39Å; F588-H639 WeakPolarHBondContact CE1-ND1 3.47Å; F588-H639 AromaticContact CE1-NE2 3.91Å; F588-H639 AromaticContact CZ-CE1 3.64Å; F588-H639 AromaticContact CZ-ND1 3.65Å; T634-H639 PolarHBondContact O-ND1 3.04Å; S636-H639 WeakPolarHBondContact O-CA 3.5Å; S636-H639 PolarHBondContact O-N 3.18Å; S636-H639 PolarHBondContact O-ND1 3.26Å; F637-H639 AromaticContact CD2-NE2 4Å; H639-L656 HydrophobicContact CB-CB 4.1Å; H639-L656 PolarHBondContact O-N 3.31Å
640S97Very high96.1Very high24 Ų2444.9 Ų44.917%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-141.2156.6-18057.30000110.4T634 P638 R653 T654T634-S640 WeakPolarHBondContact CA-O 3.19Å; T634-S640 WeakPolarHBondContact CB-O 3.43Å; T634-S640 WeakPolarHBondContact CG2-O 3.37Å; T634-S640 PolarHBondContact OG1-O 2.97Å; P638-S640 PolarHBondContact O-N 3.36Å; S640-R653 PolarHBondContact O-NH2 2.93Å; S640-R653 PolarHBondContact OG-NE 3.5Å; S640-R653 PolarHBondContact OG-NH2 2.92Å; S640-T654 VanDerWaalsContact CA-O 3.28Å; S640-T654 WeakPolarHBondContact CA-O 3.4Å; S640-T654 WeakPolarHBondContact CB-O 3.39Å
641A97.4Very high96.1Very high0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-137.6164.7174.200000109.4I628 T629 I630 T654 L656 L659I628-A641 HydrophobicContact CG2-CB 3.95Å; T629-A641 WeakPolarHBondContact O-CB 3.4Å; I630-A641 HydrophobicContact CD1-CB 3.83Å; A641-T654 PolarHBondContact N-O 3Å; A641-T654 PolarHBondContact O-N 3.47Å; A641-L656 HydrophobicContact CB-CD1 4.32Å; A641-L659 HydrophobicContact CB-CD1 3.84Å
642T97.4Very high96.2Very high1 Ų146.5 Ų46.51%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-88.7141.1176.356.40000110.1I628 T629 V652 F683I628-T642 CarbonylContact C-O 3.58Å; I628-T642 VanDerWaalsContact CA-O 3.23Å; I628-T642 WeakPolarHBondContact CA-O 3.43Å; T629-T642 VanDerWaalsContact CB-OG1 3.29Å; T629-T642 WeakPolarHBondContact CB-OG1 3.43Å; T629-T642 PolarHBondContact N-O 2.95Å; T629-T642 PolarHBondContact O-N 3.46Å; T629-T642 PolarHBondContact O-OG1 3.43Å; T642-V652 CarbonylContact C-O 3.58Å; T642-V652 VanDerWaalsContact CA-O 3.26Å; T642-V652 WeakPolarHBondContact CA-O 3.43Å; T642-F683 HydrophobicContact CG2-CB 4.22Å; T642-F683 HydrophobicContact CG2-CD1 4.42Å; T642-F683 HydrophobicContact CG2-CD2 3.35Å; T642-F683 HydrophobicContact CG2-CE2 3.71Å; T642-F683 HydrophobicContact CG2-CG 3.75Å; T642-F683 HydrophobicContact CG2-CZ 4.38Å
643L98.2Very high96.3Very high0 Ų043.3 Ų43.30%023%0.23CC..EExtended strand (participates in β ladder)trans-116.1121.9174.1175.861.4000108.3F626 A627 I628 Q651 V652 L659 I662 I663 L666 W673 I676F626-L643 HydrophobicContact CB-CD1 4.01Å; A627-L643 CarbonylContact O-C 3.6Å; A627-L643 WeakPolarHBondContact O-CA 3.46Å; I628-L643 HydrophobicContact CG1-CD1 4.12Å; L643-Q651 CarbonylContact O-C 3.47Å; L643-Q651 VanDerWaalsContact O-CA 3.26Å; L643-Q651 WeakPolarHBondContact O-CA 3.34Å; L643-V652 HydrophobicContact CB-CG2 4.03Å; L643-V652 PolarHBondContact N-O 2.78Å; L643-V652 PolarHBondContact O-N 3.04Å; L643-L659 HydrophobicContact CB-CD2 3.92Å; L643-L659 HydrophobicContact CD1-CD2 4.44Å; L643-L659 HydrophobicContact CD2-CD2 4.09Å; L643-L659 HydrophobicContact CG-CD2 4.38Å; L643-I662 HydrophobicContact CD2-CG2 3.93Å; L643-I663 HydrophobicContact CD1-CD1 3.6Å; L643-I663 HydrophobicContact CD2-CD1 4.48Å; L643-L666 HydrophobicContact CD2-CD1 4.45Å; L643-W673 HydrophobicContact CD2-CZ3 3.98Å; L643-W673 HydrophobicContact CG-CH2 4.28Å; L643-W673 HydrophobicContact CG-CZ3 4Å; L643-I676 HydrophobicContact CD2-CG2 4.48Å
644R97.9Very high96.3Very high5 Ų540.2 Ų40.22%0.01921%0.213CC..EExtended strand (participates in β ladder)trans-107.7140.2176.9-174.2175.1164.3-93.44.8110.7Y616 D620 F626 A627 M650 Q651Y616-R644 HydrophobicContact CE1-CB 4.47Å; D620-R644 IonicContact OD1-CZ 3.76Å; D620-R644 IonicContact OD1-NH1 3.12Å; D620-R644 PolarHBondContact OD1-NH1 3.32Å; D620-R644 IonicContact OD1-NH2 3.48Å; D620-R644 PolarHBondContact OD1-NH2 2.74Å; D620-R644 IonicContact OD2-CZ 3.43Å; D620-R644 IonicContact OD2-NH1 3.13Å; D620-R644 IonicContact OD2-NH2 3.23Å; D620-R644 PolarHBondContact OD2-NH2 2.89Å; F626-R644 CarbonylContact C-O 3.51Å; F626-R644 VanDerWaalsContact CA-O 3.24Å; F626-R644 WeakPolarHBondContact CA-O 3.5Å; A627-R644 HydrophobicContact CB-CB 4.18Å; A627-R644 PolarHBondContact N-O 2.85Å; A627-R644 PolarHBondContact O-N 3.48Å; R644-M650 WeakPolarHBondContact CA-O 3.25Å; R644-Q651 HydrophobicContact CB-CG 3.57Å; R644-Q651 HydrophobicContact CG-CG 3.68Å
645E97.8Very high96.4Very high30 Ų3042.7 Ų42.714%0.1423%0.23CC..EExtended strand (participates in β ladder)trans-102.2137.7166.3-174-109.3-167.400111P625 F626 D647 S648 M649 M650 W673P625-E645 WeakPolarHBondContact O-CA 3.39Å; F626-E645 HydrophobicContact CD1-CB 4.26Å; F626-E645 HydrophobicContact CD1-CG 4.26Å; F626-E645 HydrophobicContact CE1-CB 4.28Å; F626-E645 HydrophobicContact CE1-CG 3.87Å; E645-D647 PolarHBondContact OE2-N 3.5Å; E645-S648 WeakPolarHBondContact OE2-CA 3.38Å; E645-S648 WeakPolarHBondContact OE2-CB 3.49Å; E645-S648 PolarHBondContact OE2-N 3.02Å; E645-S648 PolarHBondContact OE2-OG 3.39Å; E645-M649 WeakPolarHBondContact O-CA 3.3Å; E645-M649 PolarHBondContact O-N 3.13Å; E645-M650 PolarHBondContact N-O 2.84Å; E645-M650 VanDerWaalsContact N-O 3.12Å; E645-W673 HydrophobicContact CB-CD2 3.42Å; E645-W673 VanDerWaalsContact CB-CD2 3.42Å; E645-W673 HydrophobicContact CB-CE3 3.75Å; E645-W673 HydrophobicContact CB-CG 3.97Å; E645-W673 HydrophobicContact CB-CH2 3.78Å; E645-W673 HydrophobicContact CB-CZ2 3.44Å; E645-W673 VanDerWaalsContact CB-CZ2 3.44Å; E645-W673 HydrophobicContact CB-CZ3 3.91Å; E645-W673 HydrophobicContact CG-CB 4.41Å; E645-W673 HydrophobicContact CG-CD2 3.78Å; E645-W673 HydrophobicContact CG-CE3 4.23Å; E645-W673 HydrophobicContact CG-CG 3.83Å
646R96.8Very high96.3Very high8 Ų840.6 Ų40.63%0.0322%0.218CC..THydrogen-bonded Turntrans-59.9-48.3-172.7177.9-163.567.2-145.2-11.6111.8R554 Y562 L563 L565 D620 A623 P625R554-R646 PolarHBondContact NH1-O 3.47Å; R554-R646 VanDerWaalsContact NH1-O 3.15Å; R554-R646 PolarHBondContact NH2-O 3.39Å; Y562-R646 HydrophobicContact CD2-CG 4.01Å; Y562-R646 HydrophobicContact CE2-CG 4.23Å; L563-R646 PolarHBondContact O-NE 3.37Å; L563-R646 PolarHBondContact O-NH1 3.18Å; L563-R646 VanDerWaalsContact O-NH1 3.16Å; L565-R646 VanDerWaalsContact N-NH1 3.14Å; L565-R646 PolarHBondContact O-NH1 3.07Å; L565-R646 PolarHBondContact O-NH2 3Å; L565-R646 VanDerWaalsContact O-NH2 3.08Å; D620-R646 HydrophobicContact CB-CG 4.09Å; A623-R646 PolarHBondContact O-NH1 3.4Å; P625-R646 WeakPolarHBondContact O-CB 3.31Å; P625-R646 PolarHBondContact O-N 2.56Å
647D94.1Very high96.3Very high63 Ų6341.1 Ų41.134%0.33722%0.216SC..THydrogen-bonded Turntrans-74.7-54.1-165.7-67.3-15000111.6R554 Y562 E645 M649R554-D647 PolarHBondContact NH1-O 3.05Å; Y562-D647 WeakPolarHBondContact CE2-OD1 3.2Å; E645-D647 PolarHBondContact OE2-N 3.5Å; D647-M649 VanDerWaalsContact C-N 3.29Å; D647-M649 PolarHBondContact O-N 3.29Å
648S93.8Very high96.4Very high52 Ų5236.7 Ų36.736%0.36420%0.197SC..THydrogen-bonded Turntrans-72.6-19176.169.90000113.7E645 M650 W673E645-S648 WeakPolarHBondContact OE2-CA 3.38Å; E645-S648 WeakPolarHBondContact OE2-CB 3.49Å; E645-S648 PolarHBondContact OE2-N 3.02Å; E645-S648 PolarHBondContact OE2-OG 3.39Å; S648-M650 PolarHBondContact O-N 2.68Å; S648-M650 WeakPolarHBondContact OG-CB 3.48Å; S648-M650 PolarHBondContact OG-N 2.79Å; S648-W673 PolarHBondContact OG-NE1 2.92Å; S648-W673 VanDerWaalsContact OG-NE1 3.07Å
649M94Very high96.6Very high71 Ų7132 Ų3235%0.3517%0.167SC..  trans59.55.8-169.7-52.8-17638.600114.7R554 E645 D647R554-M649 VanDerWaalsContact NH1-CG 3.33Å; E645-M649 WeakPolarHBondContact O-CA 3.3Å; E645-M649 PolarHBondContact O-N 3.13Å; D647-M649 VanDerWaalsContact C-N 3.29Å; D647-M649 PolarHBondContact O-N 3.29Å
650M96.1Very high96.6Very high60 Ų6029.6 Ų29.630%0.29616%0.156SC..  trans-73153.8-178.9-66.1-176.468.100111.2R644 E645 S648 W673 L677 K682R644-M650 WeakPolarHBondContact CA-O 3.25Å; E645-M650 PolarHBondContact N-O 2.84Å; E645-M650 VanDerWaalsContact N-O 3.12Å; S648-M650 PolarHBondContact O-N 2.68Å; S648-M650 WeakPolarHBondContact OG-CB 3.48Å; S648-M650 PolarHBondContact OG-N 2.79Å; M650-W673 HydrophobicContact CB-CZ2 4.26Å; M650-W673 WeakPolarHBondContact O-CZ2 3.42Å; M650-L677 HydrophobicContact CB-CD2 4.15Å; M650-L677 HydrophobicContact CE-CD1 4.01Å; M650-L677 HydrophobicContact CE-CD2 3.71Å; M650-L677 HydrophobicContact SD-CD1 3.84Å; M650-L677 HydrophobicContact SD-CD2 4.26Å; M650-K682 HydrophobicContact CE-CD 3.89Å; M650-K682 VanDerWaalsContact CE-CE 3.46Å
651Q97Very high96.6Very high45 Ų4530.4 Ų30.421%0.2117%0.168CC..EExtended strand (participates in β ladder)trans-130.3141.2-177.2-73.517389.800110.6Y616 L643 R644 K682 F683Y616-Q651 PolarHBondContact OH-OE1 2.84Å; L643-Q651 CarbonylContact O-C 3.47Å; L643-Q651 VanDerWaalsContact O-CA 3.26Å; L643-Q651 WeakPolarHBondContact O-CA 3.34Å; R644-Q651 HydrophobicContact CB-CG 3.57Å; R644-Q651 HydrophobicContact CG-CG 3.68Å; Q651-K682 WeakPolarHBondContact O-CA 3.34Å; Q651-F683 HydrophobicContact CB-CB 3.73Å; Q651-F683 HydrophobicContact CB-CD1 4.18Å; Q651-F683 HydrophobicContact CB-CG 4.34Å; Q651-F683 PolarHBondContact O-N 3.34Å
652V97.6Very high96.7Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-124.5155.9171.6-62.50000110.6T642 L643 W673 I676 L677 P681T642-V652 CarbonylContact C-O 3.58Å; T642-V652 VanDerWaalsContact CA-O 3.26Å; T642-V652 WeakPolarHBondContact CA-O 3.43Å; L643-V652 HydrophobicContact CB-CG2 4.03Å; L643-V652 PolarHBondContact N-O 2.78Å; L643-V652 PolarHBondContact O-N 3.04Å; V652-W673 HydrophobicContact CG2-CH2 4.18Å; V652-I676 HydrophobicContact CG2-CG2 3.73Å; V652-L677 HydrophobicContact CG1-CD2 3.82Å; V652-P681 CarbonylContact C-O 3.58Å; V652-P681 VanDerWaalsContact CA-O 3.29Å; V652-P681 WeakPolarHBondContact CA-O 3.37Å
653R97.5Very high96.7Very high35 Ų3530.8 Ų30.813%0.13217%0.17CC..EExtended strand (participates in β ladder)trans-97.1125.6171.8-168.276.7176.7-16615.9109.6D631 D633 T634 S640 P681D631-R653 IonicContact OD1-CZ 3.7Å; D631-R653 IonicContact OD1-NH1 3.36Å; D631-R653 PolarHBondContact OD1-NH1 2.93Å; D631-R653 IonicContact OD1-NH2 2.8Å; D631-R653 PolarHBondContact OD1-NH2 2.9Å; D631-R653 IonicContact OD2-CZ 2.68Å; D631-R653 IonicContact OD2-NH1 3.74Å; D631-R653 PolarHBondContact OD2-NH1 3.11Å; D631-R653 IonicContact OD2-NH2 2.93Å; D633-R653 IonicContact OD2-NH1 2.91Å; T634-R653 VanDerWaalsContact N-NH2 3.14Å; S640-R653 PolarHBondContact O-NH2 2.93Å; S640-R653 PolarHBondContact OG-NE 3.5Å; S640-R653 PolarHBondContact OG-NH2 2.92Å; R653-P681 HydrophobicContact CB-CG 4.24Å; R653-P681 PolarHBondContact N-O 3.25Å
654T96.4Very high96.6Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-133.2143.4-172.7-56.60000110.3S640 A641 L656 E658 L659 I662 Y680S640-T654 VanDerWaalsContact CA-O 3.28Å; S640-T654 WeakPolarHBondContact CA-O 3.4Å; S640-T654 WeakPolarHBondContact CB-O 3.39Å; A641-T654 PolarHBondContact N-O 3Å; A641-T654 PolarHBondContact O-N 3.47Å; T654-L656 PolarHBondContact O-N 2.78Å; T654-E658 HydrophobicContact CG2-CB 4.37Å; T654-L659 HydrophobicContact CG2-CD2 3.84Å; T654-L659 HydrophobicContact CG2-CG 4.09Å; T654-I662 HydrophobicContact CG2-CD1 3.36Å; T654-Y680 HydrophobicContact CG2-CD1 4.08Å; T654-Y680 HydrophobicContact CG2-CE1 3.8Å; T654-Y680 HydrophobicContact CG2-CE2 4.47Å
655P97.3Very high96.5Very high53 Ų5334 Ų3434%0.34419%0.189SC..EExtended strand (participates in β ladder)trans-54.5135.4172.3-26.236.5000111.6D657 E658 L659P655-D657 VanDerWaalsContact C-N 3.25Å; P655-D657 PolarHBondContact O-N 3.3Å; P655-E658 HydrophobicContact CB-CB 4.42Å; P655-E658 HydrophobicContact CB-CG 4.13Å; P655-E658 HydrophobicContact CG-CG 4.48Å; P655-E658 PolarHBondContact O-N 3.2Å; P655-E658 VanDerWaalsContact O-N 3.13Å; P655-L659 PolarHBondContact O-N 3.34Å
656L96.1Very high96.3Very high1 Ų133.2 Ų33.21%0.00519%0.186CC..THydrogen-bonded Turntrans-57.8-39.9-172-172.2112.1000112.2F588 L592 I630 T634 H639 A641 T654 E658 L659F588-L656 HydrophobicContact CB-CD1 4.18Å; F588-L656 HydrophobicContact CD1-CD1 4.17Å; F588-L656 HydrophobicContact CD1-CD2 4.13Å; L592-L656 HydrophobicContact CD1-CD1 3.86Å; L592-L656 HydrophobicContact CD1-CG 4.28Å; L592-L656 HydrophobicContact CD2-CG 4.1Å; L592-L656 HydrophobicContact CG-CD1 4.16Å; L592-L656 HydrophobicContact CG-CD2 4.4Å; L592-L656 HydrophobicContact CG-CG 4.09Å; I630-L656 HydrophobicContact CD1-CD1 4.02Å; T634-L656 HydrophobicContact CG2-CD1 3.72Å; H639-L656 HydrophobicContact CB-CB 4.1Å; H639-L656 PolarHBondContact O-N 3.31Å; A641-L656 HydrophobicContact CB-CD1 4.32Å; T654-L656 PolarHBondContact O-N 2.78Å; L656-E658 VanDerWaalsContact C-N 3.34Å; L656-E658 PolarHBondContact O-N 2.89Å; L656-L659 PolarHBondContact O-N 2.84Å
657D94.8Very high96.1Very high85 Ų8533.8 Ų33.846%0.45519%0.191SC..THydrogen-bonded Turntrans-77-17.2-176-68.5-29000113.8R591 P655R591-D657 IonicContact CZ-OD1 3.58Å; R591-D657 IonicContact CZ-OD2 2.83Å; R591-D657 IonicContact NE-OD1 2.62Å; R591-D657 PolarHBondContact NE-OD1 3.44Å; R591-D657 VanDerWaalsContact NE-OD1 3.08Å; R591-D657 IonicContact NH1-OD1 3.97Å; R591-D657 IonicContact NH1-OD2 2.72Å; R591-D657 IonicContact NH2-OD1 3.98Å; R591-D657 PolarHBondContact NH2-OD1 2.88Å; R591-D657 IonicContact NH2-OD2 3.77Å; R591-D657 PolarHBondContact NH2-OD2 3.2Å; P655-D657 VanDerWaalsContact C-N 3.25Å; P655-D657 PolarHBondContact O-N 3.3Å
658E96.6Very high95.9Very high84 Ų8434.1 Ų34.139%0.39320%0.197SC..THydrogen-bonded Turntrans-84.3-23.4175.5-68-177.7-150.900112.3T654 P655 L656 G661 I662 Y680T654-E658 HydrophobicContact CG2-CB 4.37Å; P655-E658 HydrophobicContact CB-CB 4.42Å; P655-E658 HydrophobicContact CB-CG 4.13Å; P655-E658 HydrophobicContact CG-CG 4.48Å; P655-E658 PolarHBondContact O-N 3.2Å; P655-E658 VanDerWaalsContact O-N 3.13Å; L656-E658 VanDerWaalsContact C-N 3.34Å; L656-E658 PolarHBondContact O-N 2.89Å; E658-G661 PolarHBondContact O-N 3.24Å; E658-I662 HydrophobicContact CB-CD1 3.86Å; E658-I662 WeakPolarHBondContact O-CG1 3.19Å; E658-I662 PolarHBondContact O-N 3.47Å; E658-Y680 PolarHBondContact OE2-OH 2.66Å
659L97.8Very high95.5Very high0 Ų034.5 Ų34.50%021%0.209CC..Hα-helixtrans-56-47.4-172.8-77.1168.9000114L592 I628 A641 L643 T654 P655 L656 G661 I662 I663L592-L659 HydrophobicContact CD2-CB 4.21Å; L592-L659 HydrophobicContact CD2-CD1 4.39Å; I628-L659 HydrophobicContact CD1-CB 4.3Å; I628-L659 HydrophobicContact CD1-CD1 4.37Å; I628-L659 HydrophobicContact CG1-CD1 4.46Å; I628-L659 HydrophobicContact CG1-CD2 4.5Å; I628-L659 HydrophobicContact CG2-CD1 3.81Å; A641-L659 HydrophobicContact CB-CD1 3.84Å; L643-L659 HydrophobicContact CB-CD2 3.92Å; L643-L659 HydrophobicContact CD1-CD2 4.44Å; L643-L659 HydrophobicContact CD2-CD2 4.09Å; L643-L659 HydrophobicContact CG-CD2 4.38Å; T654-L659 HydrophobicContact CG2-CD2 3.84Å; T654-L659 HydrophobicContact CG2-CG 4.09Å; P655-L659 PolarHBondContact O-N 3.34Å; L656-L659 PolarHBondContact O-N 2.84Å; L659-G661 VanDerWaalsContact C-N 3.31Å; L659-G661 PolarHBondContact O-N 3.12Å; L659-I662 PolarHBondContact O-N 2.91Å; L659-I663 WeakPolarHBondContact O-CG1 3.1Å; L659-I663 PolarHBondContact O-N 3.49Å
660P97.7Very high95.3Very high5 Ų536 Ų363%0.03222%0.223CC..Hα-helixtrans-58.9-41.6-179.6-24.735.6000112.9L592 L595 L596 L599 N664L592-P660 HydrophobicContact CD2-CG 4.14Å; L595-P660 HydrophobicContact CB-CB 4.06Å; L595-P660 HydrophobicContact CB-CG 3.6Å; L595-P660 HydrophobicContact CD1-CG 4.11Å; L596-P660 HydrophobicContact CD2-CB 4.07Å; L596-P660 HydrophobicContact CG-CB 4.33Å; L596-P660 HydrophobicContact CG-CG 4.46Å; L599-P660 HydrophobicContact CD1-CB 3.66Å; P660-N664 WeakPolarHBondContact O-CB 3.47Å; P660-N664 PolarHBondContact O-N 2.86Å
661G97.3Very high95.1Very high40 Ų4035.7 Ų35.741%0.41222%0.222SC..Hα-helixtrans-67.3-40.4176.700000112.8E658 L659 N664 A665E658-G661 PolarHBondContact O-N 3.24Å; L659-G661 VanDerWaalsContact C-N 3.31Å; L659-G661 PolarHBondContact O-N 3.12Å; G661-N664 PolarHBondContact O-N 3.33Å; G661-A665 WeakPolarHBondContact O-CB 3.41Å; G661-A665 PolarHBondContact O-N 3.47Å
662I97.7Very high94.9Very high10 Ų1035.5 Ų35.55%0.05123%0.225CC..Hα-helixtrans-62.8-47.6175.9-70.9163.7000111.1L643 T654 E658 L659 N664 A665 L666 I676 Y680L643-I662 HydrophobicContact CD2-CG2 3.93Å; T654-I662 HydrophobicContact CG2-CD1 3.36Å; E658-I662 HydrophobicContact CB-CD1 3.86Å; E658-I662 WeakPolarHBondContact O-CG1 3.19Å; E658-I662 PolarHBondContact O-N 3.47Å; L659-I662 PolarHBondContact O-N 2.91Å; I662-N664 VanDerWaalsContact C-N 3.33Å; I662-N664 PolarHBondContact O-N 2.92Å; I662-A665 PolarHBondContact O-N 2.9Å; I662-L666 HydrophobicContact CG2-CD1 3.71Å; I662-L666 HydrophobicContact CG2-CG 4.35Å; I662-L666 WeakPolarHBondContact O-CB 3.49Å; I662-L666 WeakPolarHBondContact O-CG 3.44Å; I662-L666 PolarHBondContact O-N 3.31Å; I662-I676 HydrophobicContact CG2-CD1 3.68Å; I662-I676 HydrophobicContact CG2-CG1 4.38Å; I662-Y680 HydrophobicContact CD1-CE2 3.84Å; I662-Y680 WeakPolarHBondContact CD1-OH 3.25Å
663I97.9Very high94.8Very high0 Ų036.2 Ų36.20%023%0.228CC..Hα-helixtrans-60.3-46.2177.8-64.9-62.6000110.2K573 C574 L596 V601 F626 I628 L643 L659 A665 L666 V667K573-I663 HydrophobicContact CB-CG2 4.25Å; C574-I663 HydrophobicContact CB-CD1 4.16Å; C574-I663 HydrophobicContact CB-CG1 4.43Å; C574-I663 HydrophobicContact CB-CG2 4.28Å; L596-I663 HydrophobicContact CD2-CB 4.42Å; V601-I663 HydrophobicContact CG1-CG2 3.59Å; F626-I663 HydrophobicContact CB-CD1 3.57Å; F626-I663 HydrophobicContact CD2-CD1 3.84Å; F626-I663 HydrophobicContact CD2-CG2 4.47Å; F626-I663 HydrophobicContact CG-CD1 3.76Å; I628-I663 HydrophobicContact CD1-CG1 4.35Å; L643-I663 HydrophobicContact CD1-CD1 3.6Å; L643-I663 HydrophobicContact CD2-CD1 4.48Å; L659-I663 WeakPolarHBondContact O-CG1 3.1Å; L659-I663 PolarHBondContact O-N 3.49Å; I663-A665 VanDerWaalsContact C-N 3.31Å; I663-A665 PolarHBondContact O-N 3.45Å; I663-L666 PolarHBondContact O-N 3.01Å; I663-V667 HydrophobicContact CG2-CG2 4.17Å; I663-V667 WeakPolarHBondContact O-CB 3.32Å; I663-V667 WeakPolarHBondContact O-CG2 3.5Å; I663-V667 PolarHBondContact O-N 3.33Å
664N96.4Very high94.6Very high57 Ų5741.2 Ų41.231%0.30525%0.253SS..Hα-helixtrans-59.4-42.8178.3-175.550.8000112L599 V601 P660 G661 I662 V667 C668L599-N664 HydrophobicContact CD1-CB 4.46Å; V601-N664 HydrophobicContact CG2-CB 4.02Å; P660-N664 WeakPolarHBondContact O-CB 3.47Å; P660-N664 PolarHBondContact O-N 2.86Å; G661-N664 PolarHBondContact O-N 3.33Å; I662-N664 VanDerWaalsContact C-N 3.33Å; I662-N664 PolarHBondContact O-N 2.92Å; N664-V667 PolarHBondContact O-N 3.11Å; N664-C668 WeakPolarHBondContact O-CB 3.38Å; N664-C668 PolarHBondContact O-N 3.4Å; N664-C668 PolarHBondContact O-SG 3.37Å
665A95.4Very high94.5Very high14 Ų1446.1 Ų46.112%0.11628%0.276CS..Hα-helixtrans-65.4-42.3177.500000112.8G661 I662 I663 C668 G669 T670 L671G661-A665 WeakPolarHBondContact O-CB 3.41Å; G661-A665 PolarHBondContact O-N 3.47Å; I662-A665 PolarHBondContact O-N 2.9Å; I663-A665 VanDerWaalsContact C-N 3.31Å; I663-A665 PolarHBondContact O-N 3.45Å; A665-C668 PolarHBondContact O-N 2.92Å; A665-G669 PolarHBondContact O-N 2.96Å; A665-T670 VanDerWaalsContact CA-OG1 3.29Å; A665-T670 WeakPolarHBondContact CA-OG1 3.35Å; A665-T670 VanDerWaalsContact CB-OG1 3.31Å; A665-T670 WeakPolarHBondContact CB-OG1 3.43Å; A665-T670 PolarHBondContact O-N 3.37Å; A665-T670 PolarHBondContact O-OG1 2.86Å; A665-L671 HydrophobicContact CB-CB 4.13Å; A665-L671 HydrophobicContact CB-CD1 3.7Å; A665-L671 HydrophobicContact CB-CG 3.95Å; A665-L671 PolarHBondContact O-N 3.38Å
666L95.1Very high94.5Very high14 Ų1443.7 Ų43.77%0.07326%0.26CS..Hα-helixtrans-62.6-42174.7-73.9164.8000111.7F626 L643 I662 I663 G669 L671 I676F626-L666 HydrophobicContact CD1-CD1 4.25Å; F626-L666 HydrophobicContact CE1-CB 4.45Å; F626-L666 HydrophobicContact CE1-CD1 3.82Å; F626-L666 HydrophobicContact CE2-CB 3.67Å; F626-L666 HydrophobicContact CE2-CD1 4.16Å; F626-L666 HydrophobicContact CZ-CB 3.59Å; F626-L666 HydrophobicContact CZ-CD1 3.79Å; F626-L666 HydrophobicContact CZ-CD2 4.26Å; F626-L666 HydrophobicContact CZ-CG 4.1Å; L643-L666 HydrophobicContact CD2-CD1 4.45Å; I662-L666 HydrophobicContact CG2-CD1 3.71Å; I662-L666 HydrophobicContact CG2-CG 4.35Å; I662-L666 WeakPolarHBondContact O-CB 3.49Å; I662-L666 WeakPolarHBondContact O-CG 3.44Å; I662-L666 PolarHBondContact O-N 3.31Å; I663-L666 PolarHBondContact O-N 3.01Å; L666-G669 PolarHBondContact O-N 2.77Å; L666-L671 HydrophobicContact CD2-CB 4.32Å; L666-I676 HydrophobicContact CD1-CG1 4.29Å; L666-I676 HydrophobicContact CD2-CG1 3.96Å; L666-I676 HydrophobicContact CG-CG1 4.42Å
667V92.4Very high94.4Very high21 Ų2145.5 Ų45.513%0.12727%0.269CS..Hα-helixtrans-67.1-40.1178.21730000111.6A567 K573 F626 I663 N664 G669A567-V667 HydrophobicContact CB-CG2 4.24Å; K573-V667 HydrophobicContact CB-CG2 3.68Å; K573-V667 HydrophobicContact CD-CG1 3.92Å; K573-V667 HydrophobicContact CD-CG2 4Å; K573-V667 HydrophobicContact CG-CG1 4.22Å; K573-V667 HydrophobicContact CG-CG2 3.84Å; F626-V667 HydrophobicContact CE2-CG2 4.43Å; I663-V667 HydrophobicContact CG2-CG2 4.17Å; I663-V667 WeakPolarHBondContact O-CB 3.32Å; I663-V667 WeakPolarHBondContact O-CG2 3.5Å; I663-V667 PolarHBondContact O-N 3.33Å; N664-V667 PolarHBondContact O-N 3.11Å; V667-G669 PolarHBondContact O-N 2.95Å
668C88.8Confident94.4Very high69 Ų6944.9 Ų44.947%0.46628%0.283SS..Hα-helixtrans-74.7-12.4176.9-70.40000113.5N664 A665 T670N664-C668 WeakPolarHBondContact O-CB 3.38Å; N664-C668 PolarHBondContact O-N 3.4Å; N664-C668 PolarHBondContact O-SG 3.37Å; A665-C668 PolarHBondContact O-N 2.92Å; C668-T670 VanDerWaalsContact C-N 3.33Å; C668-T670 HydrophobicContact CB-CG2 4.27Å
669G86.6Confident94.3Very high61 Ų6147.6 Ų47.663%0.62929%0.294SS*.THydrogen-bonded Turntrans75.118.1-175.900000114.2A665 L666 V667 L671A665-G669 PolarHBondContact O-N 2.96Å; L666-G669 PolarHBondContact O-N 2.77Å; V667-G669 PolarHBondContact O-N 2.95Å; G669-L671 VanDerWaalsContact C-N 3.35Å
670T88.6Confident94.2Very high103 Ų10348.6 Ų48.663%0.63230%0.298SS*.SBendtrans-85.4-12174.462.20000112.8A665 C668A665-T670 VanDerWaalsContact CA-OG1 3.29Å; A665-T670 WeakPolarHBondContact CA-OG1 3.35Å; A665-T670 VanDerWaalsContact CB-OG1 3.31Å; A665-T670 WeakPolarHBondContact CB-OG1 3.43Å; A665-T670 PolarHBondContact O-N 3.37Å; A665-T670 PolarHBondContact O-OG1 2.86Å; C668-T670 VanDerWaalsContact C-N 3.33Å; C668-T670 HydrophobicContact CB-CG2 4.27Å
671L91.3Very high94.1Very high53 Ų5352.5 Ų52.528%0.27732%0.323SS..SBendtrans-131.5144.6166.8-76.7174.4000108.7A665 L666 G669 E675 I676A665-L671 HydrophobicContact CB-CB 4.13Å; A665-L671 HydrophobicContact CB-CD1 3.7Å; A665-L671 HydrophobicContact CB-CG 3.95Å; A665-L671 PolarHBondContact O-N 3.38Å; L666-L671 HydrophobicContact CD2-CB 4.32Å; G669-L671 VanDerWaalsContact C-N 3.35Å; L671-E675 HydrophobicContact CD2-CB 4.5Å; L671-I676 HydrophobicContact CD1-CD1 4.17Å
672S93.6Very high93.9Very high40 Ų4056.9 Ų56.928%0.2833%0.331SS..  trans-96.8160.1169.764.20000111.6E674 E675 I676S672-E674 VanDerWaalsContact C-N 3.28Å; S672-E674 WeakPolarHBondContact CB-OE2 3.28Å; S672-E674 PolarHBondContact O-N 2.84Å; S672-E675 WeakPolarHBondContact CB-OE2 3.32Å; S672-E675 PolarHBondContact N-OE2 2.87Å; S672-E675 PolarHBondContact O-N 2.87Å; S672-E675 VanDerWaalsContact OG-CG 3.22Å; S672-E675 WeakPolarHBondContact OG-CG 3.48Å; S672-E675 PolarHBondContact OG-N 3.39Å; S672-E675 PolarHBondContact OG-OE2 3.36Å; S672-I676 PolarHBondContact O-N 3.34Å
673W94.8Very high93.4Very high16 Ų1659.3 Ų59.36%0.06134%0.341CS..Hα-helixtrans-66.5-34.1176-179.4-119.8000111.7F626 L643 E645 S648 M650 V652 E675 I676 L677F626-W673 HydrophobicContact CE1-CE3 4.38Å; L643-W673 HydrophobicContact CD2-CZ3 3.98Å; L643-W673 HydrophobicContact CG-CH2 4.28Å; L643-W673 HydrophobicContact CG-CZ3 4Å; E645-W673 HydrophobicContact CB-CD2 3.42Å; E645-W673 VanDerWaalsContact CB-CD2 3.42Å; E645-W673 HydrophobicContact CB-CE3 3.75Å; E645-W673 HydrophobicContact CB-CG 3.97Å; E645-W673 HydrophobicContact CB-CH2 3.78Å; E645-W673 HydrophobicContact CB-CZ2 3.44Å; E645-W673 VanDerWaalsContact CB-CZ2 3.44Å; E645-W673 HydrophobicContact CB-CZ3 3.91Å; E645-W673 HydrophobicContact CG-CB 4.41Å; E645-W673 HydrophobicContact CG-CD2 3.78Å; E645-W673 HydrophobicContact CG-CE3 4.23Å; E645-W673 HydrophobicContact CG-CG 3.83Å; S648-W673 PolarHBondContact OG-NE1 2.92Å; S648-W673 VanDerWaalsContact OG-NE1 3.07Å; M650-W673 HydrophobicContact CB-CZ2 4.26Å; M650-W673 WeakPolarHBondContact O-CZ2 3.42Å; V652-W673 HydrophobicContact CG2-CH2 4.18Å; W673-E675 VanDerWaalsContact C-N 3.31Å; W673-E675 PolarHBondContact O-N 3.33Å; W673-I676 HydrophobicContact CE3-CB 3.96Å; W673-I676 HydrophobicContact CE3-CG1 4.38Å; W673-I676 HydrophobicContact CE3-CG2 3.91Å; W673-I676 HydrophobicContact CH2-CG2 4.27Å; W673-I676 HydrophobicContact CZ3-CB 4.22Å; W673-I676 HydrophobicContact CZ3-CG2 3.63Å; W673-I676 WeakPolarHBondContact O-CB 3.36Å; W673-I676 PolarHBondContact O-N 2.91Å; W673-I676 VanDerWaalsContact O-N 3.09Å; W673-L677 HydrophobicContact CD2-CG 4.49Å; W673-L677 HydrophobicContact CZ2-CD2 3.93Å; W673-L677 HydrophobicContact CZ2-CG 4.44Å; W673-L677 WeakPolarHBondContact O-CG 2.91Å; W673-L677 PolarHBondContact O-N 3.04Å
674E94.4Very high92.4Very high139 Ų13965.1 Ų65.165%0.6538%0.376SS*.Hα-helixtrans-59.7-40.8175.6-66.476.5-168.700111.8S672 I676 L677 G678S672-E674 VanDerWaalsContact C-N 3.28Å; S672-E674 WeakPolarHBondContact CB-OE2 3.28Å; S672-E674 PolarHBondContact O-N 2.84Å; E674-I676 VanDerWaalsContact C-N 3.34Å; E674-L677 PolarHBondContact O-N 2.78Å; E674-G678 PolarHBondContact O-N 2.93Å
675E94.6Very high91.1Very high103 Ų10370 Ų7048%0.48140%0.397SS..Hα-helixtrans-64.7-37.7174.2-73.6167.6109.600112L671 S672 W673 G678 K679L671-E675 HydrophobicContact CD2-CB 4.5Å; S672-E675 WeakPolarHBondContact CB-OE2 3.32Å; S672-E675 PolarHBondContact N-OE2 2.87Å; S672-E675 PolarHBondContact O-N 2.87Å; S672-E675 VanDerWaalsContact OG-CG 3.22Å; S672-E675 WeakPolarHBondContact OG-CG 3.48Å; S672-E675 PolarHBondContact OG-N 3.39Å; S672-E675 PolarHBondContact OG-OE2 3.36Å; W673-E675 VanDerWaalsContact C-N 3.31Å; W673-E675 PolarHBondContact O-N 3.33Å; E675-G678 PolarHBondContact O-N 2.9Å; E675-K679 WeakPolarHBondContact O-CB 3.42Å; E675-K679 PolarHBondContact O-N 2.76Å
676I95.8Very high89.3Confident2 Ų275.8 Ų75.81%0.0142%0.422CS..Hα-helixtrans-64.7-43.3175.2-63.9-58.4000111.2L643 V652 I662 L666 L671 S672 W673 E674 G678 K679 Y680L643-I676 HydrophobicContact CD2-CG2 4.48Å; V652-I676 HydrophobicContact CG2-CG2 3.73Å; I662-I676 HydrophobicContact CG2-CD1 3.68Å; I662-I676 HydrophobicContact CG2-CG1 4.38Å; L666-I676 HydrophobicContact CD1-CG1 4.29Å; L666-I676 HydrophobicContact CD2-CG1 3.96Å; L666-I676 HydrophobicContact CG-CG1 4.42Å; L671-I676 HydrophobicContact CD1-CD1 4.17Å; S672-I676 PolarHBondContact O-N 3.34Å; W673-I676 HydrophobicContact CE3-CB 3.96Å; W673-I676 HydrophobicContact CE3-CG1 4.38Å; W673-I676 HydrophobicContact CE3-CG2 3.91Å; W673-I676 HydrophobicContact CH2-CG2 4.27Å; W673-I676 HydrophobicContact CZ3-CB 4.22Å; W673-I676 HydrophobicContact CZ3-CG2 3.63Å; W673-I676 WeakPolarHBondContact O-CB 3.36Å; W673-I676 PolarHBondContact O-N 2.91Å; W673-I676 VanDerWaalsContact O-N 3.09Å; E674-I676 VanDerWaalsContact C-N 3.34Å; I676-G678 PolarHBondContact O-N 3.26Å; I676-K679 PolarHBondContact O-N 2.91Å; I676-Y680 HydrophobicContact CD1-CD2 4.38Å; I676-Y680 HydrophobicContact CD1-CE2 4.06Å; I676-Y680 HydrophobicContact CG2-CD2 4.05Å; I676-Y680 PolarHBondContact O-N 3.14Å
677L95.5Very high86.5Confident39 Ų3983.6 Ų83.620%0.20446%0.458CS..Hα-helixtrans-62.5-31.2175.6-70.2178.3000112.8M650 V652 W673 E674M650-L677 HydrophobicContact CB-CD2 4.15Å; M650-L677 HydrophobicContact CE-CD1 4.01Å; M650-L677 HydrophobicContact CE-CD2 3.71Å; M650-L677 HydrophobicContact SD-CD1 3.84Å; M650-L677 HydrophobicContact SD-CD2 4.26Å; V652-L677 HydrophobicContact CG1-CD2 3.82Å; W673-L677 HydrophobicContact CD2-CG 4.49Å; W673-L677 HydrophobicContact CZ2-CD2 3.93Å; W673-L677 HydrophobicContact CZ2-CG 4.44Å; W673-L677 WeakPolarHBondContact O-CG 2.91Å; W673-L677 PolarHBondContact O-N 3.04Å; E674-L677 PolarHBondContact O-N 2.78Å
678G93.7Very high83.9Confident72 Ų7288 Ų8874%0.74249%0.489SS*.Hα-helixtrans-77.9-28.1174.900000113.9E674 E675 I676E674-G678 PolarHBondContact O-N 2.93Å; E675-G678 PolarHBondContact O-N 2.9Å; I676-G678 PolarHBondContact O-N 3.26Å
679K95.2Very high81.1Confident142 Ų14289.4 Ų89.462%0.61750%0.5SS*.Hα-helixtrans-91.6-34.6-173.9-172.5177.5177.4-1580114.1E675 I676E675-K679 WeakPolarHBondContact O-CB 3.42Å; E675-K679 PolarHBondContact O-N 2.76Å; I676-K679 PolarHBondContact O-N 2.91Å
680Y96.1Very high78.4Confident21 Ų2196 Ų968%0.08251%0.506CS..SBendtrans-116.3147.4-173.1-63.2-79.9000112.3T654 E658 I662 I676 K682T654-Y680 HydrophobicContact CG2-CD1 4.08Å; T654-Y680 HydrophobicContact CG2-CE1 3.8Å; T654-Y680 HydrophobicContact CG2-CE2 4.47Å; E658-Y680 PolarHBondContact OE2-OH 2.66Å; I662-Y680 HydrophobicContact CD1-CE2 3.84Å; I662-Y680 WeakPolarHBondContact CD1-OH 3.25Å; I676-Y680 HydrophobicContact CD1-CD2 4.38Å; I676-Y680 HydrophobicContact CD1-CE2 4.06Å; I676-Y680 HydrophobicContact CG2-CD2 4.05Å; I676-Y680 PolarHBondContact O-N 3.14Å; Y680-K682 PolarHBondContact O-N 3.41Å
681P94.1Very high75.5Confident87 Ų87103 Ų10357%0.56552%0.521SS*.PPolyproline II helixtrans-64.8133.6-179.526.5-34.2000110.9V652 R653 F683V652-P681 CarbonylContact C-O 3.58Å; V652-P681 VanDerWaalsContact CA-O 3.29Å; V652-P681 WeakPolarHBondContact CA-O 3.37Å; R653-P681 HydrophobicContact CB-CG 4.24Å; R653-P681 PolarHBondContact N-O 3.25Å; P681-F683 PolarHBondContact O-N 3.4Å
682K93.2Very high72.8Confident132 Ų132106.6 Ų106.657%0.57454%0.536SS*.BIsolated β-bridgetrans-60.1132.6172.9-67.2-176-177.1-1790109.6M650 Q651 Y680 V684M650-K682 HydrophobicContact CE-CD 3.89Å; M650-K682 VanDerWaalsContact CE-CE 3.46Å; Q651-K682 WeakPolarHBondContact O-CA 3.34Å; Y680-K682 PolarHBondContact O-N 3.41Å; K682-V684 PolarHBondContact O-N 3.01Å
683F87.6Confident69.9Low61 Ų61112.8 Ų112.827%0.26857%0.566SS.*PPolyproline II helixtrans-71.2120.1173.2176.3-104000109.1T642 Q651 P681 Q685T642-F683 HydrophobicContact CG2-CB 4.22Å; T642-F683 HydrophobicContact CG2-CD1 4.42Å; T642-F683 HydrophobicContact CG2-CD2 3.35Å; T642-F683 HydrophobicContact CG2-CE2 3.71Å; T642-F683 HydrophobicContact CG2-CG 3.75Å; T642-F683 HydrophobicContact CG2-CZ 4.38Å; Q651-F683 HydrophobicContact CB-CB 3.73Å; Q651-F683 HydrophobicContact CB-CD1 4.18Å; Q651-F683 HydrophobicContact CB-CG 4.34Å; Q651-F683 PolarHBondContact O-N 3.34Å; P681-F683 PolarHBondContact O-N 3.4Å; F683-Q685 HydrophobicContact CE1-CB 4.23Å
684V77.9Confident67.1Low121 Ų121116.2 Ų116.273%0.73361%0.606SS**PPolyproline II helixtrans-99.9121.7167.8-176.50000106.2K682 Q686K682-V684 PolarHBondContact O-N 3.01Å; V684-Q686 PolarHBondContact O-N 3.23Å; V684-Q686 VanDerWaalsContact O-N 3.11Å
685Q68.3Low64.5Low160 Ų160118 Ų11875%0.74865%0.645SS**PPolyproline II helixtrans-56.6121.4174.2-173.9171.22.700107.9F683 E687F683-Q685 HydrophobicContact CE1-CB 4.23Å; Q685-E687 PolarHBondContact O-N 2.68Å
686Q58.5Low63Low136 Ų136118.8 Ų118.864%0.63665%0.653SS**  trans-60.7114.6167.9-66179.616.400105.6D633 V684 S688D633-Q686 PolarHBondContact OD2-NE2 3.02Å; V684-Q686 PolarHBondContact O-N 3.23Å; V684-Q686 VanDerWaalsContact O-N 3.11Å; Q686-S688 PolarHBondContact O-N 2.96Å
687E36.2Very low61.3Low177 Ų177124.9 Ų124.983%0.82769%0.687SS**  trans-49124.8163-79.2-175.6166.400105.1Q685 S689Q685-E687 PolarHBondContact O-N 2.68Å; E687-S689 PolarHBondContact O-N 2.79Å
688S37.4Very low59.4Low113 Ų113129.7 Ų129.779%0.7971%0.714SS**  trans-6183.2166.247.90000105.9Q686 R690Q686-S688 PolarHBondContact O-N 2.96Å; S688-R690 VanDerWaalsContact C-N 3.31Å; S688-R690 PolarHBondContact O-N 2.88Å
689S30Very low57.4Low100 Ų100133.1 Ų133.170%0.69971%0.712SS**  trans-50.5110.616246.50000103.1E687 R691E687-S689 PolarHBondContact O-N 2.79Å; S689-R691 VanDerWaalsContact C-N 3.28Å; S689-R691 PolarHBondContact O-N 3.15Å
690R29.2Very low55Low198 Ų198132.5 Ų132.575%0.74772%0.718SS**  trans-47.4104.4170.8-76.7176.6173.5179.5-0.4105.4S688 E692S688-R690 VanDerWaalsContact C-N 3.31Å; S688-R690 PolarHBondContact O-N 2.88Å; R690-E692 HydrophobicContact CB-CB 4.24Å; R690-E692 HydrophobicContact CB-CG 4.24Å; R690-E692 IonicContact NH1-OE2 3.84Å; R690-E692 PolarHBondContact O-N 3.49Å
691R29.1Very low52.3Low252 Ų252139.9 Ų139.995%0.95176%0.761SS**  trans-69.863151.4-75.9-173.7177.9-177.30.6106.2S689S689-R691 VanDerWaalsContact C-N 3.28Å; S689-R691 PolarHBondContact O-N 3.15Å
692E32.8Very low49.3Very low128 Ų128143.7 Ų143.760%0.59878%0.775SS**  trans-95.3118.6155.2-77.7-178.2162.800104.5R690R690-E692 HydrophobicContact CB-CB 4.24Å; R690-E692 HydrophobicContact CB-CG 4.24Å; R690-E692 IonicContact NH1-OE2 3.84Å; R690-E692 PolarHBondContact O-N 3.49Å
693N34.1Very low45.9Very low169 Ų169144.6 Ų144.690%0.90479%0.79SS**SBendtrans85.485.8167.9-49.5-22.4000116.5
694G36.4Very low42.4Very low88 Ų88151.6 Ų151.691%0.90783%0.834SS**  trans-165.148.3163.300000111.4
695A39.5Very low39.2Very low177 Ų177154.4 Ų154.4100%1.46384%0.843SS**  trans-123.40161.800000107.7

Retrieved 695 of 695 residues in 235.3 ms (Link to these results)

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