A0A087Y848_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase MINDY

Hydrolase that can remove 'Lys-48'-linked conjugated ubiquitin from proteins. Probable hydrolase that can remove 'Lys-48'-linked conjugated ubiquitin from proteins.

AlphaFold DB , UniProt , Accession A0A087Y848, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 691 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
1M52.9Low81.1Confident223 Ų22374.7 Ų74.7100%1.09942%0.421SS*.  0134.80-170.1175.1-75.600106.9
2V60.7Low82.1Confident134 Ų13469.7 Ų69.781%0.81239%0.392SS*.PPolyproline II helixtrans-81.6126.1172.3-178.50000106.8
3P72.4Confident83Confident24 Ų2469 Ų6916%0.15639%0.391CS..PPolyproline II helixtrans-65.5146.3177.826.3-31.9000110.4E7 I8 I40 M49P3-E7 HydrophobicContact CB-CB 4.21Å; P3-I8 HydrophobicContact CB-CG1 4.17Å; P3-I8 HydrophobicContact CG-CD1 4.17Å; P3-I8 HydrophobicContact CG-CG1 3.99Å; P3-I40 HydrophobicContact CB-CD1 4.47Å; P3-I40 HydrophobicContact CG-CD1 4.09Å; P3-M49 HydrophobicContact CG-SD 4.11Å
4S84.2Confident83.7Confident59 Ų5964.6 Ų64.641%0.41337%0.365SS..PPolyproline II helixtrans-67.7161177.865.50000111.2E6 E7 I8S4-E6 PolarHBondContact O-N 2.81Å; S4-E7 PolarHBondContact O-N 2.66Å; S4-E7 WeakPolarHBondContact OG-CG 3.45Å; S4-E7 PolarHBondContact OG-N 2.83Å; S4-I8 WeakPolarHBondContact O-CG1 3.32Å; S4-I8 PolarHBondContact O-N 2.83Å
5V85Confident84.4Confident119 Ų11960.5 Ų60.572%0.72134%0.342SS*.Hα-helixtrans-56.8-36.7172.6179.70000110.7I8 S9V5-I8 PolarHBondContact O-N 3.22Å; V5-S9 WeakPolarHBondContact O-CB 3.21Å; V5-S9 PolarHBondContact O-N 3.35Å; V5-S9 PolarHBondContact O-OG 3.28Å
6E85.9Confident85.1Confident129 Ų12961.2 Ų61.260%0.60334%0.338SS*.Hα-helixtrans-62.7-49.3174.8-171.1178179.900112.5S4 I8 S9 S10 H33S4-E6 PolarHBondContact O-N 2.81Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.69Å; E6-S9 PolarHBondContact O-N 3.33Å; E6-S10 PolarHBondContact O-N 3.31Å; E6-S10 PolarHBondContact O-OG 3.46Å; E6-H33 IonicContact OE1-CE1 3.85Å
7E87Confident85.5Confident22 Ų2258.6 Ų58.610%0.10332%0.323CS..Hα-helixtrans-61.4-40.6176.6-79.6-72.9-175.200112.4P3 S4 S11 T36 A38 S39P3-E7 HydrophobicContact CB-CB 4.21Å; S4-E7 PolarHBondContact O-N 2.66Å; S4-E7 WeakPolarHBondContact OG-CG 3.45Å; S4-E7 PolarHBondContact OG-N 2.83Å; E7-S11 WeakPolarHBondContact O-CB 3.38Å; E7-S11 PolarHBondContact O-N 3.29Å; E7-S11 PolarHBondContact O-OG 3.05Å; E7-T36 WeakPolarHBondContact OE1-CB 3.47Å; E7-T36 WeakPolarHBondContact OE1-CG2 3.38Å; E7-T36 PolarHBondContact OE1-OG1 2.87Å; E7-A38 HydrophobicContact CG-CB 4.06Å; E7-S39 WeakPolarHBondContact OE2-CA 3.34Å; E7-S39 VanDerWaalsContact OE2-CB 3.31Å; E7-S39 WeakPolarHBondContact OE2-CB 3.42Å; E7-S39 PolarHBondContact OE2-N 3.5Å; E7-S39 PolarHBondContact OE2-OG 2.67Å
8I89Confident85.8Confident29 Ų2957.8 Ų57.815%0.14932%0.323CS..Hα-helixtrans-63.7-44.1175.3-64.2166.1000110.2P3 S4 V5 E6 S11 L12 I40 L46 M49 L50P3-I8 HydrophobicContact CB-CG1 4.17Å; P3-I8 HydrophobicContact CG-CD1 4.17Å; P3-I8 HydrophobicContact CG-CG1 3.99Å; S4-I8 WeakPolarHBondContact O-CG1 3.32Å; S4-I8 PolarHBondContact O-N 2.83Å; V5-I8 PolarHBondContact O-N 3.22Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.69Å; I8-S11 PolarHBondContact O-N 3.5Å; I8-L12 WeakPolarHBondContact O-CB 3.43Å; I8-L12 PolarHBondContact O-N 3.05Å; I8-I40 HydrophobicContact CG1-CD1 3.98Å; I8-L46 HydrophobicContact CG2-CD1 4.24Å; I8-M49 HydrophobicContact CD1-CB 4.33Å; I8-M49 HydrophobicContact CG1-CB 4.49Å; I8-L50 HydrophobicContact CG2-CD2 3.56Å; I8-L50 HydrophobicContact CG2-CG 4.03Å
9S90.6Very high86.1Confident62 Ų6260.1 Ų60.143%0.43433%0.326SS..Hα-helixtrans-65-48.5177.7-75.80000112.5V5 E6 S11 L12 V13V5-S9 WeakPolarHBondContact O-CB 3.21Å; V5-S9 PolarHBondContact O-N 3.35Å; V5-S9 PolarHBondContact O-OG 3.28Å; E6-S9 PolarHBondContact O-N 3.33Å; S9-S11 VanDerWaalsContact C-N 3.3Å; S9-S11 PolarHBondContact O-N 3.09Å; S9-L12 WeakPolarHBondContact O-CB 3.01Å; S9-L12 PolarHBondContact O-N 3.26Å; S9-L12 VanDerWaalsContact O-N 3.11Å; S9-V13 WeakPolarHBondContact O-CG2 3.38Å; S9-V13 PolarHBondContact O-N 3.19Å
10S91.1Very high86.2Confident16 Ų1661.7 Ų61.711%0.11233%0.329CS..Hα-helixtrans-62.4-37.4176.6-71.90000111.9E6 V13 R14 H33E6-S10 PolarHBondContact O-N 3.31Å; E6-S10 PolarHBondContact O-OG 3.46Å; S10-V13 PolarHBondContact O-N 3.34Å; S10-R14 WeakPolarHBondContact O-CG 3.35Å; S10-R14 PolarHBondContact O-N 3.34Å; S10-H33 WeakPolarHBondContact CB-NE2 3.23Å; S10-H33 PolarHBondContact OG-CD2 3.26Å; S10-H33 VanDerWaalsContact OG-CD2 3.26Å; S10-H33 PolarHBondContact OG-NE2 3.04Å
11S92.8Very high86.4Confident5 Ų561.1 Ų61.14%0.03534%0.338CS..Hα-helixtrans-64.5-38.3172.9-57.20000112.4E7 I8 S9 R14 E15 I40E7-S11 WeakPolarHBondContact O-CB 3.38Å; E7-S11 PolarHBondContact O-N 3.29Å; E7-S11 PolarHBondContact O-OG 3.05Å; I8-S11 PolarHBondContact O-N 3.5Å; S9-S11 VanDerWaalsContact C-N 3.3Å; S9-S11 PolarHBondContact O-N 3.09Å; S11-R14 PolarHBondContact O-N 2.96Å; S11-E15 WeakPolarHBondContact O-CB 3.33Å; S11-E15 PolarHBondContact O-N 2.85Å; S11-I40 PolarHBondContact OG-N 3.46Å
12L93.6Very high88.2Confident14 Ų1454 Ų547%0.07330%0.304CS..Hα-helixtrans-67.3-38.1175.6-179.859000112.8I8 S9 E15 Y16 L50 L69 L70 I73I8-L12 WeakPolarHBondContact O-CB 3.43Å; I8-L12 PolarHBondContact O-N 3.05Å; S9-L12 WeakPolarHBondContact O-CB 3.01Å; S9-L12 PolarHBondContact O-N 3.26Å; S9-L12 VanDerWaalsContact O-N 3.11Å; L12-E15 WeakPolarHBondContact O-CB 3.3Å; L12-E15 PolarHBondContact O-N 3.29Å; L12-Y16 PolarHBondContact O-N 2.78Å; L12-L50 HydrophobicContact CD1-CD1 3.89Å; L12-L50 HydrophobicContact CD2-CD1 4.1Å; L12-L50 HydrophobicContact CD2-CD2 4.25Å; L12-L50 HydrophobicContact CG-CD1 4.42Å; L12-L69 HydrophobicContact CD1-CB 3.58Å; L12-L70 HydrophobicContact CD1-CB 4.11Å; L12-L70 HydrophobicContact CD2-CD1 4.04Å; L12-L70 HydrophobicContact CG-CB 4.26Å; L12-L70 HydrophobicContact CG-CD1 4.37Å; L12-I73 HydrophobicContact CD2-CD1 3.85Å
13V93.5Very high89.5Confident61 Ų6156 Ų5637%0.3730%0.302SS..Hα-helixtrans-67.2-43.6173.71760000110.9S9 S10 E15 Y16 L17 M29S9-V13 WeakPolarHBondContact O-CG2 3.38Å; S9-V13 PolarHBondContact O-N 3.19Å; S10-V13 PolarHBondContact O-N 3.34Å; V13-E15 VanDerWaalsContact C-N 3.33Å; V13-E15 PolarHBondContact O-N 2.86Å; V13-Y16 WeakPolarHBondContact O-CB 3.38Å; V13-Y16 PolarHBondContact O-N 3.46Å; V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 HydrophobicContact CG1-CG 4.24Å; V13-L17 WeakPolarHBondContact O-CG 3.34Å; V13-L17 PolarHBondContact O-N 2.98Å; V13-M29 HydrophobicContact CB-CE 3.97Å; V13-M29 HydrophobicContact CB-SD 4.31Å; V13-M29 HydrophobicContact CG1-CE 3.91Å; V13-M29 HydrophobicContact CG1-SD 3.7Å
14R93.1Very high90.2Very high7 Ų765.7 Ų65.73%0.02634%0.335CS..Hα-helixtrans-61.8-38.2174.6-68.3-172.3-134.1-90.1-1.8112.3S10 S11 S18 I26 M29 D30 H33S10-R14 WeakPolarHBondContact O-CG 3.35Å; S10-R14 PolarHBondContact O-N 3.34Å; S11-R14 PolarHBondContact O-N 2.96Å; R14-S18 WeakPolarHBondContact O-CB 3.43Å; R14-S18 PolarHBondContact O-N 2.81Å; R14-I26 HydrophobicContact CB-CD1 4.13Å; R14-I26 HydrophobicContact CG-CD1 4.42Å; R14-I26 HydrophobicContact CG-CG1 4.36Å; R14-M29 HydrophobicContact CG-CE 3.97Å; R14-M29 HydrophobicContact CG-SD 3.66Å; R14-M29 PolarHBondContact NH1-O 3.34Å; R14-D30 IonicContact CZ-OD1 3.41Å; R14-D30 IonicContact NE-OD1 2.7Å; R14-D30 IonicContact NH1-OD1 2.7Å; R14-D30 PolarHBondContact NH1-OD1 2.86Å; R14-H33 PolarHBondContact NH1-O 3.11Å; R14-H33 VanDerWaalsContact NH1-O 3.15Å; R14-H33 PolarHBondContact NH2-CD2 3.42Å; R14-H33 VanDerWaalsContact NH2-CD2 3.27Å; R14-H33 PolarHBondContact NH2-O 3.19Å
15E94.6Very high90.5Very high4 Ų466.3 Ų66.32%0.01934%0.337CS..Hα-helixtrans-58.9-46.9172.8-160.3-74137.800111.7S11 L12 V13 R19 R43 L46 T68 L69S11-E15 WeakPolarHBondContact O-CB 3.33Å; S11-E15 PolarHBondContact O-N 2.85Å; L12-E15 WeakPolarHBondContact O-CB 3.3Å; L12-E15 PolarHBondContact O-N 3.29Å; V13-E15 VanDerWaalsContact C-N 3.33Å; V13-E15 PolarHBondContact O-N 2.86Å; E15-R19 WeakPolarHBondContact O-CB 3.21Å; E15-R19 PolarHBondContact O-N 2.93Å; E15-R19 WeakPolarHBondContact OE1-CG 3.42Å; E15-R43 HydrophobicContact CG-CG 4.25Å; E15-R43 VanDerWaalsContact OE1-CD 3.29Å; E15-R43 WeakPolarHBondContact OE1-CD 3.37Å; E15-R43 IonicContact OE1-CZ 2.83Å; E15-R43 IonicContact OE1-NE 2.7Å; E15-R43 PolarHBondContact OE1-NE 2.83Å; E15-R43 IonicContact OE1-NH1 2.75Å; E15-R43 PolarHBondContact OE1-NH1 3.08Å; E15-R43 IonicContact OE1-NH2 3.4Å; E15-L46 HydrophobicContact CB-CD2 4Å; E15-L46 HydrophobicContact CG-CD2 4.15Å; E15-T68 WeakPolarHBondContact OE2-CA 3.49Å; E15-L69 HydrophobicContact CG-CD1 4.4Å; E15-L69 HydrophobicContact CG-CG 4.42Å; E15-L69 PolarHBondContact OE2-N 3.06Å
16Y94.6Very high90.9Very high71 Ų7161.8 Ų61.828%0.27831%0.308SS..Hα-helixtrans-62.3-52.8177.2177.2-92.1000112.1L12 V13 S18 R19 K20 T68 L70 E71L12-Y16 PolarHBondContact O-N 2.78Å; V13-Y16 WeakPolarHBondContact O-CB 3.38Å; V13-Y16 PolarHBondContact O-N 3.46Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-S18 PolarHBondContact O-N 3.27Å; Y16-R19 PolarHBondContact O-N 3.39Å; Y16-K20 HydrophobicContact CD1-CG 4.25Å; Y16-K20 HydrophobicContact CD2-CG 4.36Å; Y16-K20 HydrophobicContact CE1-CG 3.94Å; Y16-K20 HydrophobicContact CE2-CD 4.34Å; Y16-K20 HydrophobicContact CE2-CG 4.05Å; Y16-K20 HydrophobicContact CG-CG 4.44Å; Y16-K20 WeakPolarHBondContact O-CB 3.44Å; Y16-K20 WeakPolarHBondContact O-CG 3.46Å; Y16-K20 PolarHBondContact O-N 3.22Å; Y16-K20 WeakPolarHBondContact OH-CE 3.24Å; Y16-T68 HydrophobicContact CD2-CG2 3.62Å; Y16-T68 WeakPolarHBondContact CD2-OG1 3.25Å; Y16-T68 HydrophobicContact CE2-CG2 4.22Å; Y16-T68 HydrophobicContact CG-CG2 4.3Å; Y16-L70 HydrophobicContact CD2-CB 4.08Å; Y16-L70 HydrophobicContact CD2-CD2 3.96Å; Y16-L70 HydrophobicContact CD2-CG 4.49Å; Y16-L70 HydrophobicContact CG-CD2 4.03Å; Y16-E71 HydrophobicContact CE2-CG 4.3Å
17L93.1Very high91.1Very high17 Ų1757.5 Ų57.59%0.08930%0.295CS..Hα-helixtrans-59.3-42.4-179.9-67.3177.6000111.8V13 K20 G21 L22 T25 I26 M29V13-L17 HydrophobicContact CG1-CD1 4.06Å; V13-L17 HydrophobicContact CG1-CG 4.24Å; V13-L17 WeakPolarHBondContact O-CG 3.34Å; V13-L17 PolarHBondContact O-N 2.98Å; L17-K20 PolarHBondContact O-N 3.18Å; L17-G21 PolarHBondContact O-N 3.42Å; L17-G21 VanDerWaalsContact O-N 3.15Å; L17-L22 HydrophobicContact CB-CB 4.48Å; L17-L22 HydrophobicContact CD2-CB 4.19Å; L17-L22 HydrophobicContact CD2-CD1 3.68Å; L17-L22 PolarHBondContact O-N 3Å; L17-T25 HydrophobicContact CD1-CG2 4.09Å; L17-T25 HydrophobicContact CD2-CG2 3.88Å; L17-I26 HydrophobicContact CB-CB 4.18Å; L17-I26 HydrophobicContact CD1-CB 4.31Å; L17-M29 HydrophobicContact CD1-SD 3.85Å
18S91.1Very high91.3Very high45 Ų4559.1 Ų59.132%0.31531%0.308SS..Hα-helixtrans-60.8-54.1176.9178.60000111.8R14 Y16 K20 G21R14-S18 WeakPolarHBondContact O-CB 3.43Å; R14-S18 PolarHBondContact O-N 2.81Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-S18 PolarHBondContact O-N 3.27Å; S18-K20 VanDerWaalsContact C-N 3.25Å; S18-K20 PolarHBondContact O-N 3.07Å; S18-G21 PolarHBondContact O-N 2.84Å
19R89.8Confident91.4Very high101 Ų10159.1 Ų59.138%0.38131%0.308SS..Hα-helixtrans-70.6-15.5179.6-73.6-70.1-179.9135.9-4.2114.3E15 Y16 T68 D311E15-R19 WeakPolarHBondContact O-CB 3.21Å; E15-R19 PolarHBondContact O-N 2.93Å; E15-R19 WeakPolarHBondContact OE1-CG 3.42Å; Y16-R19 PolarHBondContact O-N 3.39Å; R19-T68 HydrophobicContact CB-CG2 3.88Å; R19-D311 IonicContact NH2-OD2 2.7Å
20K89.9Confident91.4Very high92 Ų9257.7 Ų57.740%0.430%0.295SS..THydrogen-bonded Turntrans-87.7-5.7168.3-67-75.4178.5170.90113.4Y16 L17 S18 L22 T68 E71Y16-K20 HydrophobicContact CD1-CG 4.25Å; Y16-K20 HydrophobicContact CD2-CG 4.36Å; Y16-K20 HydrophobicContact CE1-CG 3.94Å; Y16-K20 HydrophobicContact CE2-CD 4.34Å; Y16-K20 HydrophobicContact CE2-CG 4.05Å; Y16-K20 HydrophobicContact CG-CG 4.44Å; Y16-K20 WeakPolarHBondContact O-CB 3.44Å; Y16-K20 WeakPolarHBondContact O-CG 3.46Å; Y16-K20 PolarHBondContact O-N 3.22Å; Y16-K20 WeakPolarHBondContact OH-CE 3.24Å; L17-K20 PolarHBondContact O-N 3.18Å; S18-K20 VanDerWaalsContact C-N 3.25Å; S18-K20 PolarHBondContact O-N 3.07Å; K20-L22 VanDerWaalsContact C-N 3.34Å; K20-L22 HydrophobicContact CB-CD1 3.95Å; K20-L22 HydrophobicContact CB-CG 3.95Å; K20-T68 HydrophobicContact CG-CG2 4.42Å; K20-E71 VanDerWaalsContact CE-OE1 3.28Å; K20-E71 WeakPolarHBondContact CE-OE1 3.43Å; K20-E71 IonicContact NZ-OE1 2.7Å; K20-E71 PolarHBondContact NZ-OE1 3.35Å
21G88.9Confident91.4Very high50 Ų5064.2 Ų64.252%0.51532%0.324SS..THydrogen-bonded Turntrans75.717178.900000114.7L17 S18 K23L17-G21 PolarHBondContact O-N 3.42Å; L17-G21 VanDerWaalsContact O-N 3.15Å; S18-G21 PolarHBondContact O-N 2.84Å; G21-K23 PolarHBondContact O-N 2.64Å
22L90.4Very high91.4Very high72 Ų7271.3 Ų71.338%0.37736%0.356SS..  trans-80.758.3-172.8-63.1173.7000112L17 K20 R24 T25 I26L17-L22 HydrophobicContact CB-CB 4.48Å; L17-L22 HydrophobicContact CD2-CB 4.19Å; L17-L22 HydrophobicContact CD2-CD1 3.68Å; L17-L22 PolarHBondContact O-N 3Å; K20-L22 VanDerWaalsContact C-N 3.34Å; K20-L22 HydrophobicContact CB-CD1 3.95Å; K20-L22 HydrophobicContact CB-CG 3.95Å; L22-R24 VanDerWaalsContact C-N 3.26Å; L22-R24 PolarHBondContact O-N 3.32Å; L22-R24 VanDerWaalsContact O-N 3.13Å; L22-T25 PolarHBondContact O-N 3.5Å; L22-I26 PolarHBondContact O-N 2.97Å
23K88.9Confident91Very high176 Ų17673.7 Ų73.777%0.76537%0.367SS*.Hα-helixtrans-57.5-29.3-169.7-65.2-164.6177.4-1650115.1G21 I26G21-K23 PolarHBondContact O-N 2.64Å; K23-I26 WeakPolarHBondContact O-CG2 3.44Å
24R87.2Confident90.8Very high229 Ų22974.8 Ų74.886%0.86438%0.375SS*.Hα-helixtrans-77.5-39.7174.5-68.3-176-179.9175-0.7112.3L22 A27 C28L22-R24 VanDerWaalsContact C-N 3.26Å; L22-R24 PolarHBondContact O-N 3.32Å; L22-R24 VanDerWaalsContact O-N 3.13Å; R24-A27 PolarHBondContact O-N 3.18Å; R24-C28 PolarHBondContact O-N 2.82Å
25T91.3Very high90.4Very high72 Ų7278.1 Ų78.144%0.44239%0.388SS..Hα-helixtrans-69-39.4-178.7-460000111.7L17 L22 C28 M29L17-T25 HydrophobicContact CD1-CG2 4.09Å; L17-T25 HydrophobicContact CD2-CG2 3.88Å; L22-T25 PolarHBondContact O-N 3.5Å; T25-C28 PolarHBondContact O-N 3.36Å; T25-M29 WeakPolarHBondContact O-CB 3.34Å; T25-M29 PolarHBondContact O-N 2.7Å
26I92.1Very high90Very high23 Ų2381 Ų8112%0.11841%0.406CS..Hα-helixtrans-67.4-34.9174.9-167.7169.7000112.1R14 L17 L22 K23 M29 D30R14-I26 HydrophobicContact CB-CD1 4.13Å; R14-I26 HydrophobicContact CG-CD1 4.42Å; R14-I26 HydrophobicContact CG-CG1 4.36Å; L17-I26 HydrophobicContact CB-CB 4.18Å; L17-I26 HydrophobicContact CD1-CB 4.31Å; L22-I26 PolarHBondContact O-N 2.97Å; K23-I26 WeakPolarHBondContact O-CG2 3.44Å; I26-M29 PolarHBondContact O-N 2.84Å; I26-D30 WeakPolarHBondContact O-CB 3.49Å; I26-D30 PolarHBondContact O-N 3.21Å
27A89.6Confident89.1Confident40 Ų4084.7 Ų84.733%0.33144%0.439SS..Hα-helixtrans-64.5-47.517300000111.8R24 M29 D30 E31R24-A27 PolarHBondContact O-N 3.18Å; A27-M29 VanDerWaalsContact C-N 3.27Å; A27-M29 PolarHBondContact O-N 3.49Å; A27-D30 CarbonylContact O-C 3.58Å; A27-D30 WeakPolarHBondContact O-CA 3.46Å; A27-D30 PolarHBondContact O-N 3.37Å; A27-E31 PolarHBondContact O-N 3.22Å
28C91.5Very high88.3Confident55 Ų5585.5 Ų85.537%0.37245%0.447SS..Hα-helixtrans-55.1-43.1173-147.70000111.5R24 T25 D30 E31 E32R24-C28 PolarHBondContact O-N 2.82Å; T25-C28 PolarHBondContact O-N 3.36Å; C28-D30 VanDerWaalsContact C-N 3.35Å; C28-D30 PolarHBondContact O-N 2.98Å; C28-E31 PolarHBondContact O-N 2.88Å; C28-E32 WeakPolarHBondContact O-CB 3.46Å; C28-E32 WeakPolarHBondContact O-CG 3.44Å; C28-E32 PolarHBondContact O-N 3.11Å; C28-E32 PolarHBondContact SG-OE1 3.34Å
29M92.3Very high87.9Confident30 Ų3084.5 Ų84.515%0.14844%0.44CS..Hα-helixtrans-69.5-27.5176.3-168.2-166.1171.100113.3V13 R14 L17 T25 I26 A27 H33V13-M29 HydrophobicContact CB-CE 3.97Å; V13-M29 HydrophobicContact CB-SD 4.31Å; V13-M29 HydrophobicContact CG1-CE 3.91Å; V13-M29 HydrophobicContact CG1-SD 3.7Å; R14-M29 HydrophobicContact CG-CE 3.97Å; R14-M29 HydrophobicContact CG-SD 3.66Å; R14-M29 PolarHBondContact NH1-O 3.34Å; L17-M29 HydrophobicContact CD1-SD 3.85Å; T25-M29 WeakPolarHBondContact O-CB 3.34Å; T25-M29 PolarHBondContact O-N 2.7Å; I26-M29 PolarHBondContact O-N 2.84Å; A27-M29 VanDerWaalsContact C-N 3.27Å; A27-M29 PolarHBondContact O-N 3.49Å; M29-H33 CarbonylContact O-C 3.37Å; M29-H33 WeakPolarHBondContact O-CA 3.44Å; M29-H33 PolarHBondContact O-N 2.91Å
30D91Very high87.7Confident32 Ų3280.3 Ų80.317%0.17143%0.426CS..Hα-helixtrans-78.3-23.8173.3-69.8-36.1000112.1R14 I26 A27 C28 P34 R35R14-D30 IonicContact CZ-OD1 3.41Å; R14-D30 IonicContact NE-OD1 2.7Å; R14-D30 IonicContact NH1-OD1 2.7Å; R14-D30 PolarHBondContact NH1-OD1 2.86Å; I26-D30 WeakPolarHBondContact O-CB 3.49Å; I26-D30 PolarHBondContact O-N 3.21Å; A27-D30 CarbonylContact O-C 3.58Å; A27-D30 WeakPolarHBondContact O-CA 3.46Å; A27-D30 PolarHBondContact O-N 3.37Å; C28-D30 VanDerWaalsContact C-N 3.35Å; C28-D30 PolarHBondContact O-N 2.98Å; D30-P34 WeakPolarHBondContact O-CA 3.38Å; D30-R35 IonicContact OD1-CZ 2.8Å; D30-R35 IonicContact OD1-NE 2.69Å; D30-R35 PolarHBondContact OD1-NE 2.76Å; D30-R35 IonicContact OD1-NH2 2.84Å; D30-R35 PolarHBondContact OD1-NH2 3.19Å; D30-R35 IonicContact OD2-CZ 3.09Å; D30-R35 IonicContact OD2-NE 2.78Å; D30-R35 IonicContact OD2-NH2 3.92Å; D30-R35 PolarHBondContact OD2-NH2 3.22Å
31E91.1Very high87.4Confident152 Ų15280.5 Ų80.571%0.7143%0.431SS*.Hα-helixtrans-80.2-50.7171.6-71.1170.7-16100111.8A27 C28A27-E31 PolarHBondContact O-N 3.22Å; C28-E31 PolarHBondContact O-N 2.88Å
32E91.4Very high87.2Confident154 Ų15481.2 Ų81.272%0.7242%0.423SS*.Hα-helixtrans-71.2-34.8-178.6-70.6169.7-159.900113.2C28C28-E32 WeakPolarHBondContact O-CB 3.46Å; C28-E32 WeakPolarHBondContact O-CG 3.44Å; C28-E32 PolarHBondContact O-N 3.11Å; C28-E32 PolarHBondContact SG-OE1 3.34Å
33H86.3Confident86.9Confident64 Ų6478.6 Ų78.630%0.29641%0.408SS..SBendtrans-135.480.6-179.2-174.271.1000109.3E6 S10 R14 M29E6-H33 IonicContact OE1-CE1 3.85Å; S10-H33 WeakPolarHBondContact CB-NE2 3.23Å; S10-H33 PolarHBondContact OG-CD2 3.26Å; S10-H33 VanDerWaalsContact OG-CD2 3.26Å; S10-H33 PolarHBondContact OG-NE2 3.04Å; R14-H33 PolarHBondContact NH1-O 3.11Å; R14-H33 VanDerWaalsContact NH1-O 3.15Å; R14-H33 PolarHBondContact NH2-CD2 3.42Å; R14-H33 VanDerWaalsContact NH2-CD2 3.27Å; R14-H33 PolarHBondContact NH2-O 3.19Å; M29-H33 CarbonylContact O-C 3.37Å; M29-H33 WeakPolarHBondContact O-CA 3.44Å; M29-H33 PolarHBondContact O-N 2.91Å
34P87.6Confident86.7Confident84 Ų8473.8 Ų73.855%0.54540%0.396SS..  trans-56.7145.9-175.6-2836.7000113.8D30D30-P34 WeakPolarHBondContact O-CA 3.38Å
35R86.6Confident86.6Confident78 Ų7866.6 Ų66.629%0.29438%0.375SS..  trans-72.4136.5178.5-54.4-173.9-163.9161.611.5110.7D30 A305D30-R35 IonicContact OD1-CZ 2.8Å; D30-R35 IonicContact OD1-NE 2.69Å; D30-R35 PolarHBondContact OD1-NE 2.76Å; D30-R35 IonicContact OD1-NH2 2.84Å; D30-R35 PolarHBondContact OD1-NH2 3.19Å; D30-R35 IonicContact OD2-CZ 3.09Å; D30-R35 IonicContact OD2-NE 2.78Å; D30-R35 IonicContact OD2-NH2 3.92Å; D30-R35 PolarHBondContact OD2-NH2 3.22Å; R35-A305 PolarHBondContact NH1-O 2.97Å
36T84.7Confident86.5Confident65 Ų6563.2 Ų63.240%0.39935%0.354SS..  trans-104.5171179.288.50000111.2E7 A38 S39E7-T36 WeakPolarHBondContact OE1-CB 3.47Å; E7-T36 WeakPolarHBondContact OE1-CG2 3.38Å; E7-T36 PolarHBondContact OE1-OG1 2.87Å; T36-A38 PolarHBondContact O-N 2.8Å; T36-A38 VanDerWaalsContact O-N 3.08Å; T36-A38 PolarHBondContact OG1-N 2.76Å; T36-S39 PolarHBondContact N-OG 2.81Å; T36-S39 WeakPolarHBondContact O-CB 3.18Å; T36-S39 PolarHBondContact O-N 2.82Å; T36-S39 VanDerWaalsContact O-N 3.09Å; T36-S39 PolarHBondContact O-OG 2.98Å
37P77Confident86.3Confident148 Ų14863.5 Ų63.596%0.96136%0.355SS*.THydrogen-bonded Turntrans-61.1-8.1169.2-23.535.6000115.3
38A76.3Confident86.2Confident33 Ų3366.3 Ų66.327%0.27336%0.361SS..THydrogen-bonded Turntrans-98-11.2174.400000113.8E7 T36E7-A38 HydrophobicContact CG-CB 4.06Å; T36-A38 PolarHBondContact O-N 2.8Å; T36-A38 VanDerWaalsContact O-N 3.08Å; T36-A38 PolarHBondContact OG1-N 2.76Å
39S82.4Confident85.9Confident24 Ų2467.1 Ų67.117%0.16836%0.36CS..  trans-68.4133.3-178.2-58.30000112.4E7 T36 N41E7-S39 WeakPolarHBondContact OE2-CA 3.34Å; E7-S39 VanDerWaalsContact OE2-CB 3.31Å; E7-S39 WeakPolarHBondContact OE2-CB 3.42Å; E7-S39 PolarHBondContact OE2-N 3.5Å; E7-S39 PolarHBondContact OE2-OG 2.67Å; T36-S39 PolarHBondContact N-OG 2.81Å; T36-S39 WeakPolarHBondContact O-CB 3.18Å; T36-S39 PolarHBondContact O-N 2.82Å; T36-S39 VanDerWaalsContact O-N 3.09Å; T36-S39 PolarHBondContact O-OG 2.98Å; S39-N41 PolarHBondContact O-N 3.02Å
40I85Confident85.7Confident14 Ų1467.8 Ų67.87%0.07236%0.364CS..  trans-89.398.9-171.4-55.1167.3000110.3P3 I8 S11 N42 L45 L46 M49P3-I40 HydrophobicContact CB-CD1 4.47Å; P3-I40 HydrophobicContact CG-CD1 4.09Å; I8-I40 HydrophobicContact CG1-CD1 3.98Å; S11-I40 PolarHBondContact OG-N 3.46Å; I40-N42 WeakPolarHBondContact CG2-O 3.19Å; I40-L45 HydrophobicContact CG2-CB 4.08Å; I40-L45 HydrophobicContact CG2-CD2 4.12Å; I40-L45 HydrophobicContact CG2-CG 4.03Å; I40-L46 HydrophobicContact CB-CD1 4.48Å; I40-L46 HydrophobicContact CD1-CD1 4.04Å; I40-L46 HydrophobicContact CG2-CB 3.92Å; I40-L46 HydrophobicContact CG2-CD1 4.44Å; I40-M49 HydrophobicContact CD1-CB 4.33Å; I40-M49 HydrophobicContact CD1-CG 3.94Å
41N83.4Confident85.6Confident95 Ų9572.5 Ų72.551%0.50839%0.389SS..  trans-76.8-25.8173.261.10.9000113.7S39 M307S39-N41 PolarHBondContact O-N 3.02Å; N41-M307 WeakPolarHBondContact O-CE 3.47Å
42N84.6Confident85.6Confident66 Ų6665.8 Ų65.835%0.35336%0.358SS..  trans-89.9115.2-174.4-173.7-69.2000112.5I40 S44 L45 L46I40-N42 WeakPolarHBondContact CG2-O 3.19Å; N42-S44 PolarHBondContact O-N 2.66Å; N42-S44 VanDerWaalsContact OD1-CA 3.28Å; N42-S44 WeakPolarHBondContact OD1-CA 3.16Å; N42-S44 WeakPolarHBondContact OD1-CB 3.24Å; N42-S44 PolarHBondContact OD1-N 3.3Å; N42-L45 HydrophobicContact CB-CB 4.14Å; N42-L45 PolarHBondContact O-N 2.84Å; N42-L45 PolarHBondContact OD1-N 2.99Å; N42-L46 PolarHBondContact O-N 3.23Å
43R85.3Confident85.4Confident17 Ų1763.3 Ų63.36%0.06435%0.345CS..Hα-helixtrans-61.8-25.3180-171176.4171.6161.4-6.2113.4E15 K47 K67 L69E15-R43 HydrophobicContact CG-CG 4.25Å; E15-R43 VanDerWaalsContact OE1-CD 3.29Å; E15-R43 WeakPolarHBondContact OE1-CD 3.37Å; E15-R43 IonicContact OE1-CZ 2.83Å; E15-R43 IonicContact OE1-NE 2.7Å; E15-R43 PolarHBondContact OE1-NE 2.83Å; E15-R43 IonicContact OE1-NH1 2.75Å; E15-R43 PolarHBondContact OE1-NH1 3.08Å; E15-R43 IonicContact OE1-NH2 3.4Å; R43-K47 VanDerWaalsContact O-CE 3.25Å; R43-K47 WeakPolarHBondContact O-CE 3.38Å; R43-K47 WeakPolarHBondContact O-CG 3.48Å; R43-K47 PolarHBondContact O-N 3.2Å; R43-K47 VanDerWaalsContact O-N 3.08Å; R43-K67 PolarHBondContact NH1-O 3.31Å; R43-K67 PolarHBondContact NH2-O 3.24Å; R43-L69 HydrophobicContact CG-CD1 3.95Å; R43-L69 HydrophobicContact CG-CG 4.34Å
44S84.4Confident85.4Confident74 Ų7464 Ų6452%0.51735%0.35SS..Hα-helixtrans-73-43.6175.9-141.30000112.5N42 L46 K47 Q48N42-S44 PolarHBondContact O-N 2.66Å; N42-S44 VanDerWaalsContact OD1-CA 3.28Å; N42-S44 WeakPolarHBondContact OD1-CA 3.16Å; N42-S44 WeakPolarHBondContact OD1-CB 3.24Å; N42-S44 PolarHBondContact OD1-N 3.3Å; S44-L46 VanDerWaalsContact C-N 3.34Å; S44-K47 VanDerWaalsContact CA-CE 3.49Å; S44-K47 PolarHBondContact O-N 2.91Å; S44-Q48 PolarHBondContact O-N 2.64Å
45L84.8Confident85.4Confident78 Ų7861.5 Ų61.541%0.40833%0.332SS..Hα-helixtrans-62.1-42171.1-178.756.6000111.3I40 N42 K47 Q48 M49I40-L45 HydrophobicContact CG2-CB 4.08Å; I40-L45 HydrophobicContact CG2-CD2 4.12Å; I40-L45 HydrophobicContact CG2-CG 4.03Å; N42-L45 HydrophobicContact CB-CB 4.14Å; N42-L45 PolarHBondContact O-N 2.84Å; N42-L45 PolarHBondContact OD1-N 2.99Å; L45-K47 PolarHBondContact O-N 3.35Å; L45-Q48 WeakPolarHBondContact O-CA 3.38Å; L45-Q48 WeakPolarHBondContact O-CB 3.46Å; L45-Q48 PolarHBondContact O-N 2.89Å; L45-M49 HydrophobicContact CD1-CE 4.18Å; L45-M49 HydrophobicContact CD1-CG 4.16Å; L45-M49 HydrophobicContact CG-CG 4.34Å; L45-M49 WeakPolarHBondContact O-CG 3.41Å; L45-M49 PolarHBondContact O-N 3.29Å
46L88Confident85.5Confident2 Ų260.1 Ų60.11%0.0133%0.328CS..Hα-helixtrans-62.7-42.5178.5-169.657.3000112.7I8 E15 I40 N42 S44 Q48 M49 L50 L69I8-L46 HydrophobicContact CG2-CD1 4.24Å; E15-L46 HydrophobicContact CB-CD2 4Å; E15-L46 HydrophobicContact CG-CD2 4.15Å; I40-L46 HydrophobicContact CB-CD1 4.48Å; I40-L46 HydrophobicContact CD1-CD1 4.04Å; I40-L46 HydrophobicContact CG2-CB 3.92Å; I40-L46 HydrophobicContact CG2-CD1 4.44Å; N42-L46 PolarHBondContact O-N 3.23Å; S44-L46 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 3.17Å; L46-M49 PolarHBondContact O-N 3.11Å; L46-L50 HydrophobicContact CD1-CD1 3.89Å; L46-L50 HydrophobicContact CD1-CG 4.26Å; L46-L50 HydrophobicContact CG-CD1 3.85Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 2.84Å; L46-L69 HydrophobicContact CB-CD1 4.17Å; L46-L69 HydrophobicContact CD2-CD1 3.97Å; L46-L69 HydrophobicContact CG-CD1 3.9Å
47K89.3Confident85.7Confident29 Ų2964.1 Ų64.113%0.12634%0.336CS..Hα-helixtrans-57.4-31.9170.7-76.9174.2-61.8-172.60112.8R43 S44 L45 I52 Y56 L69R43-K47 VanDerWaalsContact O-CE 3.25Å; R43-K47 WeakPolarHBondContact O-CE 3.38Å; R43-K47 WeakPolarHBondContact O-CG 3.48Å; R43-K47 PolarHBondContact O-N 3.2Å; R43-K47 VanDerWaalsContact O-N 3.08Å; S44-K47 VanDerWaalsContact CA-CE 3.49Å; S44-K47 PolarHBondContact O-N 2.91Å; L45-K47 PolarHBondContact O-N 3.35Å; K47-I52 PolarHBondContact O-N 3.33Å; K47-Y56 HydrophobicContact CD-CD1 3.83Å; K47-Y56 HydrophobicContact CD-CD2 3.84Å; K47-Y56 HydrophobicContact CD-CE1 3.95Å; K47-Y56 HydrophobicContact CD-CE2 3.99Å; K47-Y56 HydrophobicContact CD-CG 3.77Å; K47-Y56 HydrophobicContact CG-CD2 4.49Å; K47-L69 HydrophobicContact CD-CD2 4.19Å; K47-L69 HydrophobicContact CG-CD1 3.87Å; K47-L69 HydrophobicContact CG-CD2 3.61Å; K47-L69 HydrophobicContact CG-CG 4.42Å
48Q86.6Confident86.1Confident98 Ų9861.8 Ų61.846%0.45831%0.312SS..Hα-helixtrans-79.5-44.5178.6179.3163.6-59.100112.4S44 L45 L46 L50 N51S44-Q48 PolarHBondContact O-N 2.64Å; L45-Q48 WeakPolarHBondContact O-CA 3.38Å; L45-Q48 WeakPolarHBondContact O-CB 3.46Å; L45-Q48 PolarHBondContact O-N 2.89Å; L46-Q48 PolarHBondContact O-N 3.17Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-L50 PolarHBondContact O-N 3.41Å; Q48-N51 PolarHBondContact O-N 3.21Å; Q48-N51 VanDerWaalsContact O-N 3.11Å
49M85.9Confident86.7Confident72 Ų7260.7 Ų60.736%0.35530%0.301SS..Hα-helixtrans-64.4-36.2178-64.9-66.794.100112.3P3 I8 I40 L45 L46 N51P3-M49 HydrophobicContact CG-SD 4.11Å; I8-M49 HydrophobicContact CD1-CB 4.33Å; I8-M49 HydrophobicContact CG1-CB 4.49Å; I40-M49 HydrophobicContact CD1-CB 4.33Å; I40-M49 HydrophobicContact CD1-CG 3.94Å; L45-M49 HydrophobicContact CD1-CE 4.18Å; L45-M49 HydrophobicContact CD1-CG 4.16Å; L45-M49 HydrophobicContact CG-CG 4.34Å; L45-M49 WeakPolarHBondContact O-CG 3.41Å; L45-M49 PolarHBondContact O-N 3.29Å; L46-M49 PolarHBondContact O-N 3.11Å; M49-N51 VanDerWaalsContact C-N 3.26Å; M49-N51 PolarHBondContact O-N 2.96Å
50L87.9Confident86.9Confident44 Ų4466.5 Ų66.523%0.2332%0.324CS..THydrogen-bonded Turntrans-79.1-3.8174.8-66.9166.2000113.8I8 L12 L46 Q48 I52 L69 I73I8-L50 HydrophobicContact CG2-CD2 3.56Å; I8-L50 HydrophobicContact CG2-CG 4.03Å; L12-L50 HydrophobicContact CD1-CD1 3.89Å; L12-L50 HydrophobicContact CD2-CD1 4.1Å; L12-L50 HydrophobicContact CD2-CD2 4.25Å; L12-L50 HydrophobicContact CG-CD1 4.42Å; L46-L50 HydrophobicContact CD1-CD1 3.89Å; L46-L50 HydrophobicContact CD1-CG 4.26Å; L46-L50 HydrophobicContact CG-CD1 3.85Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 2.84Å; Q48-L50 VanDerWaalsContact C-N 3.32Å; Q48-L50 PolarHBondContact O-N 3.41Å; L50-I52 HydrophobicContact CB-CD1 4.11Å; L50-I52 HydrophobicContact CB-CG1 3.99Å; L50-I52 HydrophobicContact CB-CG2 4.15Å; L50-I52 HydrophobicContact CD1-CD1 4.08Å; L50-I52 WeakPolarHBondContact O-CG2 3.46Å; L50-I52 PolarHBondContact O-N 3Å; L50-I52 VanDerWaalsContact O-N 3.09Å; L50-L69 HydrophobicContact CD1-CD1 4.45Å; L50-I73 HydrophobicContact CD1-CD1 4.18Å; L50-I73 HydrophobicContact CD2-CD1 4.38Å
51N89.9Confident86.9Confident132 Ų13271.8 Ų71.871%0.70636%0.356SS*.THydrogen-bonded Turntrans54.221.2-174.9-159.735.4000116Q48 M49 K53Q48-N51 PolarHBondContact O-N 3.21Å; Q48-N51 VanDerWaalsContact O-N 3.11Å; M49-N51 VanDerWaalsContact C-N 3.26Å; M49-N51 PolarHBondContact O-N 2.96Å; N51-K53 VanDerWaalsContact C-N 3.32Å; N51-K53 PolarHBondContact O-N 3.35Å
52I90.6Very high86.6Confident10 Ų1070.1 Ų70.15%0.05135%0.345CS..  trans-90.123.5-174.960.5178.5000114.3K47 L50 D54 L55 Y56 L69 I73K47-I52 PolarHBondContact O-N 3.33Å; L50-I52 HydrophobicContact CB-CD1 4.11Å; L50-I52 HydrophobicContact CB-CG1 3.99Å; L50-I52 HydrophobicContact CB-CG2 4.15Å; L50-I52 HydrophobicContact CD1-CD1 4.08Å; L50-I52 WeakPolarHBondContact O-CG2 3.46Å; L50-I52 PolarHBondContact O-N 3Å; L50-I52 VanDerWaalsContact O-N 3.09Å; I52-D54 PolarHBondContact O-N 3.13Å; I52-L55 HydrophobicContact CB-CB 4.4Å; I52-L55 HydrophobicContact CB-CD1 4.39Å; I52-L55 HydrophobicContact CG2-CD1 4.05Å; I52-L55 PolarHBondContact O-N 2.9Å; I52-Y56 VanDerWaalsContact O-CB 3.31Å; I52-Y56 WeakPolarHBondContact O-CB 3.43Å; I52-Y56 PolarHBondContact O-N 3.08Å; I52-L69 HydrophobicContact CD1-CB 3.89Å; I52-L69 HydrophobicContact CD1-CD1 4.3Å; I52-L69 HydrophobicContact CD1-CD2 3.93Å; I52-L69 HydrophobicContact CD1-CG 4.24Å; I52-I73 HydrophobicContact CD1-CD1 4.22Å; I52-I73 HydrophobicContact CD1-CG1 4.31Å; I52-I73 HydrophobicContact CG2-CD1 4.29Å; I52-I73 HydrophobicContact CG2-CG1 3.84Å
53K87.8Confident86.1Confident102 Ų10277.4 Ų77.444%0.44337%0.374SS..Hα-helixtrans-60.4-42.9-175.1-69.2-173.3179.7-178.50112.5N51 R57N51-K53 VanDerWaalsContact C-N 3.32Å; N51-K53 PolarHBondContact O-N 3.35Å; K53-R57 PolarHBondContact O-N 2.99Å; K53-R57 VanDerWaalsContact O-N 3.11Å
54D86Confident85.6Confident78 Ų7880.5 Ų80.542%0.41740%0.398SS..Hα-helixtrans-74.1-40.4179.6-63-80.7000112.4I52 Y56 R57 Q58I52-D54 PolarHBondContact O-N 3.13Å; D54-Y56 VanDerWaalsContact C-N 3.28Å; D54-Y56 PolarHBondContact O-N 3.39Å; D54-R57 WeakPolarHBondContact O-CB 3.4Å; D54-R57 PolarHBondContact O-N 2.97Å; D54-R57 VanDerWaalsContact O-N 3.09Å; D54-R57 IonicContact OD1-CZ 2.96Å; D54-R57 IonicContact OD1-NH1 2.83Å; D54-R57 PolarHBondContact OD1-NH1 3.41Å; D54-R57 IonicContact OD1-NH2 2.77Å; D54-R57 PolarHBondContact OD1-NH2 3.17Å; D54-Q58 WeakPolarHBondContact O-CG 3.37Å; D54-Q58 PolarHBondContact O-N 2.84Å
55L88Confident85.8Confident32 Ų3280.6 Ų80.617%0.16840%0.397CS..Hα-helixtrans-60.3-38.4172.5-58.5-179000111.6I52 Q58 N59 I72 H76I52-L55 HydrophobicContact CB-CB 4.4Å; I52-L55 HydrophobicContact CB-CD1 4.39Å; I52-L55 HydrophobicContact CG2-CD1 4.05Å; I52-L55 PolarHBondContact O-N 2.9Å; L55-Q58 PolarHBondContact O-N 3Å; L55-N59 VanDerWaalsContact O-CB 3.3Å; L55-N59 WeakPolarHBondContact O-CB 3.38Å; L55-N59 PolarHBondContact O-N 2.62Å; L55-I72 HydrophobicContact CB-CG2 3.68Å; L55-H76 HydrophobicContact CD1-CB 3.89Å; L55-H76 HydrophobicContact CD2-CB 4.21Å
56Y88.3Confident86Confident50 Ų5078.8 Ų78.820%0.19639%0.389CS..Hα-helixtrans-65.5-37.1174.1-173.4-99000112.4K47 I52 D54 K60 L69 I72K47-Y56 HydrophobicContact CD-CD1 3.83Å; K47-Y56 HydrophobicContact CD-CD2 3.84Å; K47-Y56 HydrophobicContact CD-CE1 3.95Å; K47-Y56 HydrophobicContact CD-CE2 3.99Å; K47-Y56 HydrophobicContact CD-CG 3.77Å; K47-Y56 HydrophobicContact CG-CD2 4.49Å; I52-Y56 VanDerWaalsContact O-CB 3.31Å; I52-Y56 WeakPolarHBondContact O-CB 3.43Å; I52-Y56 PolarHBondContact O-N 3.08Å; D54-Y56 VanDerWaalsContact C-N 3.28Å; D54-Y56 PolarHBondContact O-N 3.39Å; Y56-K60 HydrophobicContact CE1-CD 4.48Å; Y56-K60 PolarHBondContact O-N 2.77Å; Y56-L69 HydrophobicContact CD2-CD2 3.92Å; Y56-L69 HydrophobicContact CE2-CD2 4.18Å; Y56-I72 HydrophobicContact CD2-CD1 3.65Å; Y56-I72 HydrophobicContact CE2-CD1 4.34Å
57R87.4Confident86.1Confident149 Ų14985.8 Ų85.856%0.56242%0.42SS*.Hα-helixtrans-69-41.3173.9-171.6174.769.2-106.6-5.9111.8K53 D54 K60K53-R57 PolarHBondContact O-N 2.99Å; K53-R57 VanDerWaalsContact O-N 3.11Å; D54-R57 WeakPolarHBondContact O-CB 3.4Å; D54-R57 PolarHBondContact O-N 2.97Å; D54-R57 VanDerWaalsContact O-N 3.09Å; D54-R57 IonicContact OD1-CZ 2.96Å; D54-R57 IonicContact OD1-NH1 2.83Å; D54-R57 PolarHBondContact OD1-NH1 3.41Å; D54-R57 IonicContact OD1-NH2 2.77Å; D54-R57 PolarHBondContact OD1-NH2 3.17Å; R57-K60 PolarHBondContact O-N 3.21Å
58Q86.1Confident86.3Confident98 Ų9884.5 Ų84.546%0.45841%0.414SS..Hα-helixtrans-63.7-48.4175.2-71.4170.6-500111.4D54 L55 K60 V61 Q62D54-Q58 WeakPolarHBondContact O-CG 3.37Å; D54-Q58 PolarHBondContact O-N 2.84Å; L55-Q58 PolarHBondContact O-N 3Å; Q58-K60 VanDerWaalsContact C-N 3.27Å; Q58-K60 PolarHBondContact O-N 2.66Å; Q58-V61 WeakPolarHBondContact O-CG2 3.39Å; Q58-V61 PolarHBondContact O-N 3.23Å; Q58-V61 VanDerWaalsContact O-N 3.07Å; Q58-Q62 WeakPolarHBondContact O-CG 3.49Å; Q58-Q62 PolarHBondContact O-N 3.03Å
59N89.3Confident86.6Confident10 Ų1079.8 Ų79.85%0.05339%0.392CS..Hα-helixtrans-54.3-42.4176.1177.659.8000112L55 V61 Q62 P65 V66 I72L55-N59 VanDerWaalsContact O-CB 3.3Å; L55-N59 WeakPolarHBondContact O-CB 3.38Å; L55-N59 PolarHBondContact O-N 2.62Å; N59-V61 PolarHBondContact O-N 2.78Å; N59-Q62 PolarHBondContact O-N 2.79Å; N59-P65 WeakPolarHBondContact O-CB 3.47Å; N59-P65 WeakPolarHBondContact OD1-CA 3.39Å; N59-V66 PolarHBondContact ND2-O 3.18Å; N59-V66 VanDerWaalsContact OD1-CG2 3.28Å; N59-V66 WeakPolarHBondContact OD1-CG2 3.41Å; N59-V66 PolarHBondContact OD1-N 3.01Å; N59-I72 HydrophobicContact CB-CD1 4.17Å; N59-I72 HydrophobicContact CB-CG1 4.18Å
60K86.4Confident87Confident147 Ų14779 Ų7964%0.63939%0.389SS*.Hα-helixtrans-58-26.4177.9-93-164.1168.9-161.60114.9Y56 R57 Q58Y56-K60 HydrophobicContact CE1-CD 4.48Å; Y56-K60 PolarHBondContact O-N 2.77Å; R57-K60 PolarHBondContact O-N 3.21Å; Q58-K60 VanDerWaalsContact C-N 3.27Å; Q58-K60 PolarHBondContact O-N 2.66Å
61V84.7Confident87.3Confident125 Ų12579 Ų7976%0.75839%0.388SS*.THydrogen-bonded Turntrans-102.62.1-178.6-60.80000113.7Q58 N59Q58-V61 WeakPolarHBondContact O-CG2 3.39Å; Q58-V61 PolarHBondContact O-N 3.23Å; Q58-V61 VanDerWaalsContact O-N 3.07Å; N59-V61 PolarHBondContact O-N 2.78Å
62Q77.8Confident87.5Confident60 Ų6073 Ų7328%0.2836%0.356SS..SBendtrans-79151.9176.8-72.4173-0.500111.9Q58 N59 S64Q58-Q62 WeakPolarHBondContact O-CG 3.49Å; Q58-Q62 PolarHBondContact O-N 3.03Å; N59-Q62 PolarHBondContact O-N 2.79Å; Q62-S64 PolarHBondContact O-N 2.97Å
63K73.8Confident87.5Confident218 Ų21874.1 Ų74.195%0.94836%0.361SS*.SBendtrans-57.6-18.8178.4-171175.8179.5-179.10114.3
64S75.8Confident87.7Confident83 Ų8372.8 Ų72.858%0.5836%0.362SS*.SBendtrans-148.285.7177.856.50000110Q62Q62-S64 PolarHBondContact O-N 2.97Å
65P87.6Confident87.9Confident75 Ų7571.7 Ų71.749%0.48735%0.353SS..  trans-70.4133.6-179.128.1-34.2000111.3N59N59-P65 WeakPolarHBondContact O-CB 3.47Å; N59-P65 WeakPolarHBondContact OD1-CA 3.39Å
66V89.4Confident88Confident40 Ų4073.4 Ų73.424%0.24236%0.36CS..  trans-79.4154169.5-68.90000110.9N59 E71 I72N59-V66 PolarHBondContact ND2-O 3.18Å; N59-V66 VanDerWaalsContact OD1-CG2 3.28Å; N59-V66 WeakPolarHBondContact OD1-CG2 3.41Å; N59-V66 PolarHBondContact OD1-N 3.01Å; V66-E71 HydrophobicContact CB-CB 3.64Å; V66-E71 HydrophobicContact CB-CG 4.42Å; V66-E71 HydrophobicContact CG1-CB 4.12Å; V66-E71 HydrophobicContact CG2-CB 3.76Å; V66-I72 HydrophobicContact CG2-CB 4.45Å; V66-I72 HydrophobicContact CG2-CG1 3.54Å
67K88.9Confident88Confident150 Ų15075.8 Ų75.865%0.65237%0.373SS*.SBendtrans-99.8-30-162-69.4-173.3176.7-174.90114.2R43 E71R43-K67 PolarHBondContact NH1-O 3.31Å; R43-K67 PolarHBondContact NH2-O 3.24Å; K67-E71 PolarHBondContact N-OE2 3.08Å; K67-E71 VanDerWaalsContact N-OE2 3.1Å
68T94.1Very high88Confident1 Ų172.9 Ų72.91%0.00637%0.367CS..SBendtrans-96.4163179.868.40000111.2E15 Y16 R19 K20 E71 I72E15-T68 WeakPolarHBondContact OE2-CA 3.49Å; Y16-T68 HydrophobicContact CD2-CG2 3.62Å; Y16-T68 WeakPolarHBondContact CD2-OG1 3.25Å; Y16-T68 HydrophobicContact CE2-CG2 4.22Å; Y16-T68 HydrophobicContact CG-CG2 4.3Å; R19-T68 HydrophobicContact CB-CG2 3.88Å; K20-T68 HydrophobicContact CG-CG2 4.42Å; T68-E71 WeakPolarHBondContact CB-OE2 3.23Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.42Å; T68-E71 PolarHBondContact N-OE2 2.79Å; T68-E71 WeakPolarHBondContact OG1-CB 3.28Å; T68-E71 WeakPolarHBondContact OG1-CG 3.38Å; T68-E71 PolarHBondContact OG1-N 3.5Å; T68-E71 VanDerWaalsContact OG1-N 3.11Å; T68-E71 PolarHBondContact OG1-OE2 2.85Å; T68-I72 WeakPolarHBondContact O-CG1 3.26Å
69L92.9Very high87.9Confident0 Ų071.7 Ų71.70%036%0.362CS..Hα-helixtrans-73.3-32.3172.7-62.1-175.1000112.1L12 E15 R43 L46 K47 L50 I52 Y56 I72 I73L12-L69 HydrophobicContact CD1-CB 3.58Å; E15-L69 HydrophobicContact CG-CD1 4.4Å; E15-L69 HydrophobicContact CG-CG 4.42Å; E15-L69 PolarHBondContact OE2-N 3.06Å; R43-L69 HydrophobicContact CG-CD1 3.95Å; R43-L69 HydrophobicContact CG-CG 4.34Å; L46-L69 HydrophobicContact CB-CD1 4.17Å; L46-L69 HydrophobicContact CD2-CD1 3.97Å; L46-L69 HydrophobicContact CG-CD1 3.9Å; K47-L69 HydrophobicContact CD-CD2 4.19Å; K47-L69 HydrophobicContact CG-CD1 3.87Å; K47-L69 HydrophobicContact CG-CD2 3.61Å; K47-L69 HydrophobicContact CG-CG 4.42Å; L50-L69 HydrophobicContact CD1-CD1 4.45Å; I52-L69 HydrophobicContact CD1-CB 3.89Å; I52-L69 HydrophobicContact CD1-CD1 4.3Å; I52-L69 HydrophobicContact CD1-CD2 3.93Å; I52-L69 HydrophobicContact CD1-CG 4.24Å; Y56-L69 HydrophobicContact CD2-CD2 3.92Å; Y56-L69 HydrophobicContact CE2-CD2 4.18Å; L69-I72 HydrophobicContact CD2-CD1 4.34Å; L69-I72 PolarHBondContact O-N 3.46Å; L69-I73 PolarHBondContact O-N 2.93Å
70L94Very high87.6Confident55 Ų5576.3 Ų76.329%0.28838%0.378SS..Hα-helixtrans-65.4-42.7179-176.861.3000111.8L12 Y16 I72 I73 V74L12-L70 HydrophobicContact CD1-CB 4.11Å; L12-L70 HydrophobicContact CD2-CD1 4.04Å; L12-L70 HydrophobicContact CG-CB 4.26Å; L12-L70 HydrophobicContact CG-CD1 4.37Å; Y16-L70 HydrophobicContact CD2-CB 4.08Å; Y16-L70 HydrophobicContact CD2-CD2 3.96Å; Y16-L70 HydrophobicContact CD2-CG 4.49Å; Y16-L70 HydrophobicContact CG-CD2 4.03Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 2.88Å; L70-I73 PolarHBondContact O-N 2.94Å; L70-V74 HydrophobicContact CD1-CG2 4.4Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 2.75Å
71E94.6Very high86.9Confident44 Ų4473.6 Ų73.621%0.20637%0.371CS..Hα-helixtrans-61.5-34.5174.8-71.4161.4143.900112.6Y16 K20 V66 K67 T68 K75Y16-E71 HydrophobicContact CE2-CG 4.3Å; K20-E71 VanDerWaalsContact CE-OE1 3.28Å; K20-E71 WeakPolarHBondContact CE-OE1 3.43Å; K20-E71 IonicContact NZ-OE1 2.7Å; K20-E71 PolarHBondContact NZ-OE1 3.35Å; V66-E71 HydrophobicContact CB-CB 3.64Å; V66-E71 HydrophobicContact CB-CG 4.42Å; V66-E71 HydrophobicContact CG1-CB 4.12Å; V66-E71 HydrophobicContact CG2-CB 3.76Å; K67-E71 PolarHBondContact N-OE2 3.08Å; K67-E71 VanDerWaalsContact N-OE2 3.1Å; T68-E71 WeakPolarHBondContact CB-OE2 3.23Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.42Å; T68-E71 PolarHBondContact N-OE2 2.79Å; T68-E71 WeakPolarHBondContact OG1-CB 3.28Å; T68-E71 WeakPolarHBondContact OG1-CG 3.38Å; T68-E71 PolarHBondContact OG1-N 3.5Å; T68-E71 VanDerWaalsContact OG1-N 3.11Å; T68-E71 PolarHBondContact OG1-OE2 2.85Å; E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 PolarHBondContact O-N 2.97Å
72I93.3Very high86.2Confident7 Ų774 Ų744%0.03636%0.364CS..Hα-helixtrans-67.1-43.2178.4-64.8170.1000110.4L55 Y56 N59 V66 T68 L69 L70 H76L55-I72 HydrophobicContact CB-CG2 3.68Å; Y56-I72 HydrophobicContact CD2-CD1 3.65Å; Y56-I72 HydrophobicContact CE2-CD1 4.34Å; N59-I72 HydrophobicContact CB-CD1 4.17Å; N59-I72 HydrophobicContact CB-CG1 4.18Å; V66-I72 HydrophobicContact CG2-CB 4.45Å; V66-I72 HydrophobicContact CG2-CG1 3.54Å; T68-I72 WeakPolarHBondContact O-CG1 3.26Å; L69-I72 HydrophobicContact CD2-CD1 4.34Å; L69-I72 PolarHBondContact O-N 3.46Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 2.88Å; I72-H76 WeakPolarHBondContact O-CB 3.45Å; I72-H76 PolarHBondContact O-N 2.77Å; I72-H76 VanDerWaalsContact O-N 3.08Å
73I92.4Very high85.5Confident33 Ų3378.1 Ų78.117%0.16938%0.383CS..Hα-helixtrans-63.1-53.6176.3-69.1162.7000110.2L12 L50 I52 L69 L70 K75 H76 H77L12-I73 HydrophobicContact CD2-CD1 3.85Å; L50-I73 HydrophobicContact CD1-CD1 4.18Å; L50-I73 HydrophobicContact CD2-CD1 4.38Å; I52-I73 HydrophobicContact CD1-CD1 4.22Å; I52-I73 HydrophobicContact CD1-CG1 4.31Å; I52-I73 HydrophobicContact CG2-CD1 4.29Å; I52-I73 HydrophobicContact CG2-CG1 3.84Å; L69-I73 PolarHBondContact O-N 2.93Å; L70-I73 PolarHBondContact O-N 2.94Å; I73-K75 VanDerWaalsContact C-N 3.34Å; I73-K75 PolarHBondContact O-N 3Å; I73-H76 PolarHBondContact O-N 3.32Å; I73-H77 PolarHBondContact O-CD2 3.42Å; I73-H77 PolarHBondContact O-N 3.34Å
74V91.8Very high84.6Confident74 Ų7473.1 Ų73.145%0.44836%0.363SS..Hα-helixtrans-59.4-44.3-178.9171.60000111.3L70 H76 H77 I78L70-V74 HydrophobicContact CD1-CG2 4.4Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 2.75Å; V74-H76 PolarHBondContact O-N 2.84Å; V74-H77 PolarHBondContact O-N 3.31Å; V74-I78 HydrophobicContact CG1-CD1 3.86Å; V74-I78 WeakPolarHBondContact O-CG1 3.31Å; V74-I78 PolarHBondContact O-N 3.45Å
75K89.6Confident83.4Confident55 Ų5576.7 Ų76.724%0.23937%0.37CS..Hα-helixtrans-58.7-47.5176.5178.4170.5178.2173.10111.9E71 I73 H77 I78 E79E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 PolarHBondContact O-N 2.97Å; I73-K75 VanDerWaalsContact C-N 3.34Å; I73-K75 PolarHBondContact O-N 3Å; K75-H77 VanDerWaalsContact C-N 3.34Å; K75-H77 PolarHBondContact O-N 2.86Å; K75-I78 PolarHBondContact O-N 2.95Å; K75-E79 WeakPolarHBondContact CE-OE1 3.47Å; K75-E79 HydrophobicContact CG-CG 4.39Å; K75-E79 IonicContact NZ-OE1 2.76Å; K75-E79 WeakPolarHBondContact O-CG 3.05Å; K75-E79 PolarHBondContact O-N 2.81Å
76H89.9Confident81.3Confident67 Ų6778.6 Ų78.631%0.3138%0.375SS..Hα-helixtrans-61.1-40.6179177.857.5000112.4L55 I72 I73 V74 E79 R80L55-H76 HydrophobicContact CD1-CB 3.89Å; L55-H76 HydrophobicContact CD2-CB 4.21Å; I72-H76 WeakPolarHBondContact O-CB 3.45Å; I72-H76 PolarHBondContact O-N 2.77Å; I72-H76 VanDerWaalsContact O-N 3.08Å; I73-H76 PolarHBondContact O-N 3.32Å; V74-H76 PolarHBondContact O-N 2.84Å; H76-E79 PolarHBondContact O-N 3.42Å; H76-R80 VanDerWaalsContact O-CB 3.32Å; H76-R80 WeakPolarHBondContact O-CB 3.31Å; H76-R80 PolarHBondContact O-N 2.96Å
77H89.1Confident79Confident101 Ų10182.6 Ų82.647%0.46840%0.402SS..Hα-helixtrans-65.6-39.7176.3-74.3-68000112.9I73 V74 K75 R80 L81I73-H77 PolarHBondContact O-CD2 3.42Å; I73-H77 PolarHBondContact O-N 3.34Å; V74-H77 PolarHBondContact O-N 3.31Å; K75-H77 VanDerWaalsContact C-N 3.34Å; K75-H77 PolarHBondContact O-N 2.86Å; H77-R80 PolarHBondContact O-N 2.93Å; H77-L81 WeakPolarHBondContact O-CG 3.29Å; H77-L81 PolarHBondContact O-N 3.45Å
78I86.2Confident76.6Confident87 Ų8782 Ų8245%0.44641%0.411SS..Hα-helixtrans-62.6-49.6174.5-67.6165.8000110.4V74 K75 R80 L81 H82V74-I78 HydrophobicContact CG1-CD1 3.86Å; V74-I78 WeakPolarHBondContact O-CG1 3.31Å; V74-I78 PolarHBondContact O-N 3.45Å; K75-I78 PolarHBondContact O-N 2.95Å; I78-R80 VanDerWaalsContact C-N 3.3Å; I78-R80 PolarHBondContact O-N 3.48Å; I78-L81 PolarHBondContact O-N 3.08Å; I78-H82 PolarHBondContact O-CD2 3.16Å; I78-H82 PolarHBondContact O-N 2.81Å; I78-H82 VanDerWaalsContact O-N 3.15Å
79E85.6Confident73.6Confident73 Ų7385.5 Ų85.534%0.34145%0.447SS..Hα-helixtrans-58.8-41.1177.5-71173.5157.200111.4K75 H76 H82 H83K75-E79 WeakPolarHBondContact CE-OE1 3.47Å; K75-E79 HydrophobicContact CG-CG 4.39Å; K75-E79 IonicContact NZ-OE1 2.76Å; K75-E79 WeakPolarHBondContact O-CG 3.05Å; K75-E79 PolarHBondContact O-N 2.81Å; H76-E79 PolarHBondContact O-N 3.42Å; E79-H82 PolarHBondContact O-N 3.49Å; E79-H83 PolarHBondContact O-CD2 2.84Å; E79-H83 PolarHBondContact O-N 3.32Å
80R82Confident70.9Confident107 Ų10793 Ų9340%0.40449%0.487SS..Hα-helixtrans-64-42.6177-158.9-168.880.888.914.1112.9H76 H77 I78 H82 H83 E84H76-R80 VanDerWaalsContact O-CB 3.32Å; H76-R80 WeakPolarHBondContact O-CB 3.31Å; H76-R80 PolarHBondContact O-N 2.96Å; H77-R80 PolarHBondContact O-N 2.93Å; I78-R80 VanDerWaalsContact C-N 3.3Å; I78-R80 PolarHBondContact O-N 3.48Å; R80-H82 VanDerWaalsContact C-N 3.32Å; R80-H82 PolarHBondContact O-N 3.17Å; R80-H83 PolarHBondContact O-N 3.07Å; R80-H83 VanDerWaalsContact O-N 3.1Å; R80-E84 IonicContact CZ-OE1 3.61Å; R80-E84 VanDerWaalsContact CZ-OE1 3.3Å; R80-E84 IonicContact CZ-OE2 2.65Å; R80-E84 IonicContact NE-OE2 3.49Å; R80-E84 VanDerWaalsContact NH1-CD 3.31Å; R80-E84 IonicContact NH1-OE1 3.53Å; R80-E84 PolarHBondContact NH1-OE1 2.86Å; R80-E84 IonicContact NH1-OE2 3.07Å; R80-E84 PolarHBondContact NH1-OE2 3Å; R80-E84 IonicContact NH2-OE1 3.13Å; R80-E84 PolarHBondContact NH2-OE1 3.26Å; R80-E84 IonicContact NH2-OE2 3.27Å; R80-E84 PolarHBondContact NH2-OE2 2.73Å; R80-E84 PolarHBondContact O-N 3.2Å
81L72.4Confident68Low91 Ų9196.3 Ų96.348%0.47652%0.515SS..Hα-helixtrans-65-34.6178.2-73167.7000112.4H77 I78 H83 E84 H85H77-L81 WeakPolarHBondContact O-CG 3.29Å; H77-L81 PolarHBondContact O-N 3.45Å; I78-L81 PolarHBondContact O-N 3.08Å; L81-H83 PolarHBondContact O-N 3.16Å; L81-E84 PolarHBondContact O-N 3.25Å; L81-H85 PolarHBondContact O-CD2 2.75Å
82H70.3Confident65.1Low133 Ų133101.7 Ų101.762%0.61654%0.54SS*.Hα-helixtrans-68.1-22.2173.3-69.7-57.2000113.6I78 E79 R80I78-H82 PolarHBondContact O-CD2 3.16Å; I78-H82 PolarHBondContact O-N 2.81Å; I78-H82 VanDerWaalsContact O-N 3.15Å; E79-H82 PolarHBondContact O-N 3.49Å; R80-H82 VanDerWaalsContact C-N 3.32Å; R80-H82 PolarHBondContact O-N 3.17Å
83H62Low62.1Low146 Ų146108.9 Ų108.968%0.67657%0.573SS**Hα-helixtrans-86.7-24.2176.3-72.4-56.7000114.1E79 R80 L81E79-H83 PolarHBondContact O-CD2 2.84Å; E79-H83 PolarHBondContact O-N 3.32Å; R80-H83 PolarHBondContact O-N 3.07Å; R80-H83 VanDerWaalsContact O-N 3.1Å; L81-H83 PolarHBondContact O-N 3.16Å
84E54.8Low59.1Low113 Ų113114 Ų11453%0.52861%0.605SS.*Hα-helixtrans-82.4-11.7179.1-71.6178.7144.200113.9R80 L81R80-E84 IonicContact CZ-OE1 3.61Å; R80-E84 VanDerWaalsContact CZ-OE1 3.3Å; R80-E84 IonicContact CZ-OE2 2.65Å; R80-E84 IonicContact NE-OE2 3.49Å; R80-E84 VanDerWaalsContact NH1-CD 3.31Å; R80-E84 IonicContact NH1-OE1 3.53Å; R80-E84 PolarHBondContact NH1-OE1 2.86Å; R80-E84 IonicContact NH1-OE2 3.07Å; R80-E84 PolarHBondContact NH1-OE2 3Å; R80-E84 IonicContact NH2-OE1 3.13Å; R80-E84 PolarHBondContact NH2-OE1 3.26Å; R80-E84 IonicContact NH2-OE2 3.27Å; R80-E84 PolarHBondContact NH2-OE2 2.73Å; R80-E84 PolarHBondContact O-N 3.2Å; L81-E84 PolarHBondContact O-N 3.25Å
85H51Low56.2Low159 Ų159115 Ų11574%0.73661%0.612SS**THydrogen-bonded Turntrans-103.419.1-175.5-82.7-60000115.6L81 P87L81-H85 PolarHBondContact O-CD2 2.75Å; H85-P87 WeakPolarHBondContact O-CD 3.37Å
86I43.2Very low53.3Low115 Ų115119.2 Ų119.259%0.5964%0.642SS**  trans-107.3108.1175.5-55.4178.3000110T88I86-T88 PolarHBondContact O-N 3.13Å
87P41.6Very low50.4Low123 Ų123123 Ų12380%0.79966%0.664SS**  trans-70.3116.5166.5-11.327.2000109.2H85 G89H85-P87 WeakPolarHBondContact O-CD 3.37Å; P87-G89 PolarHBondContact O-N 2.78Å; P87-G89 VanDerWaalsContact O-N 3.13Å
88T37.8Very low47.5Very low138 Ų138125.3 Ų125.385%0.84769%0.686SS**  trans-75.199.9177.550.10000110.9I86I86-T88 PolarHBondContact O-N 3.13Å
89G32.3Very low44.7Very low74 Ų74125 Ų12576%0.76371%0.705SS**  trans-84.6143.3162.700000111.3P87P87-G89 PolarHBondContact O-N 2.78Å; P87-G89 VanDerWaalsContact O-N 3.13Å
90D34.2Very low42.1Very low158 Ų158127.1 Ų127.185%0.84573%0.727SS**  trans-65.1135.2-175.8-76.7-64.2000114.4
91S34.2Very low39.5Very low124 Ų124128.2 Ų128.287%0.86775%0.746SS**  trans-158.1139.4138.8-850000111.6
92Q33.3Very low37.4Very low158 Ų158128.4 Ų128.474%0.73876%0.755SS**  trans-94.3164.5-163.2-58.3165-21.800113.4
93H31.2Very low35.4Very low158 Ų158129.3 Ų129.373%0.73177%0.765SS**  trans69151.7164-59.5-61.2000115.9
94V29.7Very low33.8Very low139 Ų139133 Ų13384%0.84277%0.774SS**  cis-123.8153.523.1173.20000112.9
95V30.9Very low33.2Very low97 Ų97133.2 Ų133.259%0.58879%0.785SS**  trans-97.5143.3178.3172.40000111.5
96T28.5Very low32.2Very low143 Ų143130.5 Ų130.588%0.87779%0.79SS**  trans-131.8115.6154.4510000110.4
97N28.1Very low31.4Very low145 Ų145128.8 Ų128.878%0.77580%0.801SS**  trans-93.2133.9-176.8-86.4-14.2000113.1
98T29.2Very low30.8Very low150 Ų150128.5 Ų128.592%0.9280%0.802SS**  trans-170.9133.7143.836.40000107.3
99G27.6Very low31.5Very low82 Ų82127.3 Ų127.385%0.84580%0.796SS**  cis-159.8-175.4-1.800000110.8
100S29.2Very low31.3Very low116 Ų116128.9 Ų128.981%0.81180%0.796SS**  trans-110144-159.356.10000117.4
101T27.2Very low31Very low130 Ų130128.6 Ų128.680%0.79879%0.791SS**  trans-167.1113.9137.335.60000106.3
102S28.8Very low31Very low96 Ų96131.2 Ų131.267%0.67179%0.794SS**  66.1133.687.794.30000112.4
103D28.7Very low30.7Very low151 Ų151129 Ų12981%0.80779%0.787SS**  cis-141.7173.536.9-66.4-39.2000115.9
104Y28Very low30.8Very low225 Ų225128.9 Ų128.988%0.88279%0.787SS**  trans-88172167.8-87.6-68.9000110.8
105P43.2Very low30.8Very low117 Ų117127.6 Ų127.676%0.7678%0.779SS**  cis-147.4162.331.942.5-21.9000120.9
106A29.1Very low30.9Very low101 Ų101131.8 Ų131.884%0.83579%0.789SS**  trans45.4127.4140.300000122.5
107G26.8Very low31.1Very low79 Ų79128.6 Ų128.681%0.81478%0.778SS**  trans-172.393.7165.400000112.9
108S27.8Very low31.4Very low117 Ų117128.5 Ų128.582%0.81878%0.777SS**  trans-137.5163.8-177.2-61.20000109.8
109P53.3Low31.7Very low113 Ų113129.5 Ų129.573%0.73477%0.771SS**  cis-136.3-150.7-33.238.2-18.8000110.9
110S27.8Very low31.8Very low107 Ų107133.1 Ų133.175%0.74877%0.77SS**  trans79.1163.1157.185.90000117.8
111M29.5Very low31.8Very low152 Ų152133.3 Ų133.375%0.74977%0.766SS**  cis179.3134.7-35-95.9-101.4-68.400106.2
112I32.6Very low32.5Very low180 Ų180132.6 Ų132.692%0.92376%0.764SS**  trans-152.8159155.89.7177.4000111.9
113N28.4Very low32.5Very low112 Ų112132.1 Ų132.160%0.59977%0.766SS**  trans-125.4159.1-158-107.229.9000113.5
114E32Very low32.4Very low155 Ų155131.8 Ų131.872%0.72476%0.762SS**  trans66.8162.9150.2-66.6165.9-117.200117
115T30.6Very low32.4Very low112 Ų112131 Ų13169%0.68776%0.76SS**  cis-154.9143.923.9-34.70000112.7
116K33.1Very low32.4Very low184 Ų184131.1 Ų131.180%0.876%0.76SS**  trans18.4163.5149.5-51.3178.7-178.2-178.10122
117A33.1Very low32.2Very low77 Ų77132.3 Ų132.364%0.63676%0.762SS**  cis-160.1154.722.600000114.2
118D33.3Very low32.3Very low142 Ų142137.1 Ų137.176%0.75976%0.761SS**  36.8148.2125.1-43.2-18.9000120.9
119E35.1Very low32.3Very low171 Ų171140 Ų14080%0.79976%0.761SS**  cis-162.5173.2-9.2-107.1-171.3149.500106.9
120I30.3Very low31Very low158 Ų158138.9 Ų138.981%0.8176%0.756SS**  -171.8151.767-75.9176.5000109.7
121T28.6Very low30.9Very low120 Ų120141.9 Ų141.974%0.73676%0.758SS**  trans-101-159-175.8-5.10000113.9
122P42.3Very low30.8Very low116 Ų116141.7 Ų141.775%0.75376%0.759SS**  cis-111.7-1467.333.8-10.3000112
123A28.3Very low30.4Very low85 Ų85138.2 Ų138.270%0.70275%0.751SS**  cis-168.4168.67.300000109.3
124I28.3Very low30.4Very low144 Ų144138.5 Ų138.574%0.73876%0.761SS**  cis-164.5153-21.2-127.3177.9000110.4
125Y26.1Very low30.2Very low210 Ų210138.8 Ų138.882%0.82476%0.763SS**  trans44.9134.5165.2-86.1-96.2000124.5
126P43.5Very low30.1Very low119 Ų119139.9 Ų139.977%0.77377%0.769SS**  trans-114166.9163.240.6-31.4000114.6
127S24.8Very low29.8Very low125 Ų125137.9 Ų137.987%0.87476%0.761SS**  trans-151.9178.4163.571.90000112.9
128K29.7Very low29.6Very low181 Ų181140.5 Ų140.579%0.78776%0.76SS**  trans-130.8177.3-168.5-77.1-174.8177-178.10112.4
129H27.5Very low29.2Very low178 Ų178140.9 Ų140.982%0.82476%0.76SS**  trans88.9153162-61.7-81.8000116.8
130S25.4Very low28.7Very low89 Ų89137.8 Ų137.862%0.62276%0.756SS**  cis-176.5177.8-23.7-171.70000108.7
131E26Very low28.4Very low169 Ų169135.4 Ų135.479%0.7975%0.753SS**  trans73.6150.3157.9-61.1-169.8-173.100118.8
132L26.8Very low28.5Very low148 Ų148136.7 Ų136.778%0.77575%0.754SS**  cis-167.7-179.2-33.7-124.4168.8000109.6
133S25.8Very low27.9Very low108 Ų108136.7 Ų136.776%0.75575%0.754SS**  trans74.5145.6171.480.90000117
134S28.4Very low27.9Very low117 Ų117138.6 Ų138.682%0.81876%0.757SS**  cis-155.2163.5-10.134.60000112.4
135E27.3Very low27.7Very low161 Ų161137.9 Ų137.975%0.75276%0.759SS**  trans-84.2150.2-175.4-55.5164.883.300115
136V28Very low27.7Very low136 Ų136134.9 Ų134.982%0.82476%0.758SS**  -153.4113.3124.8-1590000105.4
137K27.8Very low26.8Very low142 Ų142137.4 Ų137.462%0.61776%0.764SS**  53.7137.778.8-72.3179.9163.8-1080114
138E27.5Very low26.8Very low132 Ų132136.1 Ų136.162%0.61775%0.754SS**  cis-149.2149.8-2.4-103156.6-172.400106.7
139I25.8Very low26.7Very low149 Ų149135.6 Ų135.676%0.76476%0.757SS**  58.8134.470.8-57.7171.3000111.1
140C24.8Very low26.5Very low107 Ų107134.3 Ų134.372%0.72376%0.762SS**  cis-137.5150.518-116.90000108.6
141S23.3Very low26.7Very low107 Ų107135 Ų13575%0.74877%0.767SS**  97.2146.554.5-59.40000115.1
142I32.2Very low26.7Very low147 Ų147136.7 Ų136.775%0.75477%0.772SS**  trans-71.9170-177-19.9178.2000112V144I142-V144 HydrophobicContact CG2-CG2 4.35Å
143P29.1Very low27Very low117 Ų117138.2 Ų138.276%0.7677%0.772SS**  -136.4151.610638.2-29.5000115.4
144V27.5Very low27.1Very low124 Ų124140 Ų14075%0.75277%0.773SS**  trans-100.5149.3161.6173.90000108I142I142-V144 HydrophobicContact CG2-CG2 4.35Å
145T24.9Very low26.9Very low129 Ų129137.7 Ų137.779%0.79177%0.768SS**  trans-148.5128.5168.3-42.70000110.9
146D25.4Very low27.5Very low148 Ų148135.6 Ų135.679%0.79177%0.768SS**  trans-74.4150.9172.6-80.3-62.2000112.6
147L25.9Very low27.4Very low172 Ų172134.8 Ų134.890%0.90176%0.764SS**  trans-167.3168.2132.6-106.3162.9000111
148S24.7Very low27.4Very low97 Ų97132.8 Ų132.868%0.67877%0.767SS**  trans-133.5160.1-148.360.90000116.4
149M26.5Very low27.4Very low170 Ų170134.4 Ų134.484%0.83778%0.779SS**  trans59.8119.8159.1-66.2-66.8162.600119.9
150T24.5Very low27.7Very low151 Ų151133.9 Ų133.993%0.92678%0.778SS**  -170.8171115.318.70000111.7
151S27.8Very low28Very low104 Ų104134.6 Ų134.673%0.72778%0.781SS**  trans-112.3155.3-172.758.50000113.6
152K27.8Very low28.2Very low205 Ų205135.6 Ų135.689%0.89178%0.778SS**  -175.8169.4129.6-102.4161.1-173.1177.70113.9
153K31.5Very low28.2Very low179 Ų179134.8 Ų134.878%0.77878%0.776SS**  trans-68.1166.3166.9-51174.1174.5-179.10109.8
154D27.8Very low28.1Very low147 Ų147137.1 Ų137.179%0.78677%0.774SS**  -166.1-178.159.4-85.4-55.9000111.3
155G24.5Very low28.1Very low68 Ų68138.7 Ų138.770%0.70178%0.777SS**  trans-84-154.4164.400000112.4
156P40.1Very low28.3Very low117 Ų117138.6 Ų138.676%0.7677%0.771SS**  cis-144.3-169.912.636.8-13.2000116.4
157T25.6Very low28.3Very low119 Ų119138.8 Ų138.873%0.7377%0.772SS**  trans63117.9151.334.80000122.5
158S28.4Very low28.4Very low99 Ų99136.6 Ų136.669%0.69276%0.761SS**  21.8137.8129.362.90000121.8
159L28.1Very low28.6Very low167 Ų167138.9 Ų138.987%0.87477%0.771SS**  -168.4142.7112-102.4162.4000112.1
160N31.3Very low28.8Very low137 Ų137136.7 Ų136.773%0.73376%0.763SS**  trans-101.9146.6166.5-111.833.6000109.3
161P31.6Very low28.9Very low122 Ų122138.7 Ų138.779%0.79276%0.759SS**  trans-116.8145.1147.411.49.4000111.3
162N27.8Very low29Very low129 Ų129140.6 Ų140.669%0.6976%0.756SS**  trans-110.8-177.2176.9-86.22.5000111.5
163D31.7Very low29Very low130 Ų130139 Ų13970%0.69575%0.752SS**  trans95.5147.4162.3-48.6-24.1000114.9
164F27.7Very low28.7Very low165 Ų165133.4 Ų133.472%0.72475%0.745SS**  cis-144.5178.625.9-112.4-71.3000115I166F164-I166 HydrophobicContact CD1-CD1 3.66Å; F164-I166 HydrophobicContact CD1-CG1 4.15Å; F164-I166 HydrophobicContact CE1-CD1 3.88Å
165L27.4Very low28.6Very low158 Ų158136 Ų13683%0.82775%0.753SS**  trans95.5103.7173.4-56.6172.3000114.1
166I29.2Very low28.6Very low127 Ų127142.4 Ų142.465%0.65176%0.761SS**  cis76.3105.843.5-53.7170.5000113.4F164F164-I166 HydrophobicContact CD1-CD1 3.66Å; F164-I166 HydrophobicContact CD1-CG1 4.15Å; F164-I166 HydrophobicContact CE1-CD1 3.88Å
167D24.7Very low28.4Very low152 Ų152142.8 Ų142.881%0.81376%0.764SS**  -147.7158109.8-156.25.4000110.7
168N27.5Very low28.4Very low125 Ų125145.5 Ų145.567%0.66877%0.77SS**  trans-135.9162.8-172.4-101.1-3.2000111.4
169T28.8Very low28.1Very low146 Ų146148.9 Ų148.990%0.89678%0.78SS**  trans-152.8134.7145.6-7.20000110.1
170D31.2Very low28Very low123 Ų123145.4 Ų145.466%0.65877%0.769SS**  trans-84.2162.4-161.7-51.3-86000114.6
171F26.4Very low27.7Very low193 Ų193148 Ų14885%0.84677%0.774SS**  -16615399.3-108.7-77.4000113.9
172Q30Very low27.4Very low144 Ų144150.1 Ų150.167%0.67377%0.773SS**  trans-64.4168.2174.9-69.8165.8-77.600112.6
173E27.3Very low27.2Very low171 Ų171152.7 Ų152.780%0.79978%0.781SS**  cis-160.9167.7-2.5-118.5160.6-154.700106.2
174G24.8Very low27Very low62 Ų62152.9 Ų152.964%0.63978%0.782SS**  cis171.5-169.14.800000110.5
175Q26.5Very low26.8Very low203 Ų203156 Ų15695%0.94979%0.791SS**  trans69.6115.7170.8-57-168.15.400120.5
176K24.6Very low26.7Very low201 Ų201154.3 Ų154.387%0.87479%0.788SS**  trans-77.8175.3158-76178179.6176.20109.7
177P35.7Very low26.6Very low126 Ų126157.9 Ų157.982%0.81880%0.801SS**  cis-142.5-170.922.942.2-20.7000117.6
178M24.8Very low26.7Very low176 Ų176158.3 Ų158.387%0.86780%0.796SS**  trans-75161.2-178.8-46.5170.874.500113.7
179L23.3Very low26.7Very low170 Ų170159.5 Ų159.589%0.8980%0.797SS**  -150.2159.3128.4-151.364.2000112.3
180S25.3Very low26.5Very low93 Ų93162.2 Ų162.265%0.6580%0.797SS**  trans-94.4155.8175.652.70000112.4
181K25Very low26.3Very low192 Ų192163.1 Ų163.184%0.83580%0.797SS**  177.4123.3118.9-97.2171.1-178-175.30114.4
182Q25.8Very low26.3Very low166 Ų166160 Ų16078%0.77680%0.799SS**  -5.2129.3128.7175.2-176.115.900117.5
183E24.4Very low26.1Very low183 Ų183161 Ų16186%0.85580%0.801SS**  trans-160.6167.3130.5-119.8167.5-139.100112.6
184N25.6Very low25.8Very low135 Ų135159 Ų15972%0.72281%0.805SS**  trans-97.4165.9-174.1-52.1-75.6000111.6
185Y25Very low25.9Very low229 Ų229163.9 Ų163.990%0.89882%0.815SS**  -164159.7126.1-110-70.8000112.1
186T25.5Very low25.9Very low124 Ų124162.6 Ų162.676%0.76181%0.813SS**  trans-116.4142.8-17645.50000111.7
187Q26.3Very low25.9Very low202 Ų202157.6 Ų157.694%0.94481%0.809SS**  trans-160.1171.7144.1-119176.111.900115.6
188K26.6Very low25.3Very low161 Ų161155 Ų15570%0.781%0.806SS**  trans-94153.2-153.8-82.5167.2147.4-109.20115.6
189E27.5Very low25.2Very low149 Ų149153.9 Ų153.970%0.69681%0.808SS**  trans41.1130.1132.3-55.2165.5125.100120.7
190K25.6Very low25.3Very low203 Ų203152.1 Ų152.188%0.88381%0.805SS**  -159.6132.9113.4-109161.5-172.8174.90112.8
191E26.2Very low25.3Very low142 Ų142153.5 Ų153.566%0.66482%0.815SS**  trans-69.4157.2160.9-70.3-162.7124.100110.6K193E191-K193 VanDerWaalsContact OE1-CE 3.28Å; E191-K193 WeakPolarHBondContact OE1-CE 3.47Å; E191-K193 IonicContact OE1-NZ 2.66Å; E191-K193 PolarHBondContact OE1-NZ 2.94Å; E191-K193 IonicContact OE2-NZ 3.6Å; E191-K193 PolarHBondContact OE2-NZ 3.02Å
192S25.7Very low25.5Very low127 Ų127153.8 Ų153.889%0.88882%0.816SS**  trans-149.6107.3155.7-75.10000109.5
193K25.9Very low25.4Very low166 Ų166153.7 Ų153.772%0.72282%0.82SS**  trans-97.3136.3175.7-68.3171.4-180123.70109.4E191E191-K193 VanDerWaalsContact OE1-CE 3.28Å; E191-K193 WeakPolarHBondContact OE1-CE 3.47Å; E191-K193 IonicContact OE1-NZ 2.66Å; E191-K193 PolarHBondContact OE1-NZ 2.94Å; E191-K193 IonicContact OE2-NZ 3.6Å; E191-K193 PolarHBondContact OE2-NZ 3.02Å
194C22Very low25.6Very low128 Ų128153.5 Ų153.587%0.86582%0.817SS**  trans-144.5150.9155-156.70000109.8
195L26.2Very low25.7Very low165 Ų165153.3 Ų153.386%0.86482%0.821SS**  trans-118.3130-171.3-67.6162.7000109.7
196I26.7Very low25.8Very low177 Ų177147.8 Ų147.891%0.90882%0.815SS**  trans-134.6141.6155-63.2-175.3000107.4
197A23.9Very low26.3Very low96 Ų96153.6 Ų153.679%0.79382%0.824SS**  trans-112.4145.2-17300000112.9
198G23.8Very low26.4Very low72 Ų72151.5 Ų151.574%0.74282%0.817SS**  trans100155.2137.100000119.4
199V23.6Very low26.5Very low151 Ų151155.8 Ų155.892%0.91583%0.829SS**  trans80.4138.4166.1-168.70000117.1
200T25.2Very low26.8Very low133 Ų133158.4 Ų158.482%0.81683%0.832SS**  trans-97.9147.9-167.453.70000113.8
201S25.6Very low27.1Very low123 Ų123152.6 Ų152.686%0.8683%0.831SS**  trans-152.9174.2132.682.20000111.2
202K27.7Very low27.3Very low197 Ų197150.7 Ų150.786%0.85782%0.823SS**  trans-105.8145.8-170.4-58.3167.9-177.8171.70110.7
203N25.2Very low27.8Very low164 Ų164150.1 Ų150.188%0.87781%0.814SS**  trans-152.4175143.4-115.1-32.4000113.4
204K26.9Very low28.2Very low180 Ų180146.8 Ų146.878%0.78381%0.807SS**  trans-104.5149.1-150.4-68.3176.8175.51740116.3
205T29.5Very low28.6Very low131 Ų131143.5 Ų143.580%0.80480%0.795SS**  trans56.4117.414352.10000121.1
206S27Very low28.9Very low112 Ų112141.8 Ų141.878%0.78379%0.794SS**  -129.7153.2124.363.30000109.1
207R34.7Very low29Very low247 Ų247137.4 Ų137.493%0.93278%0.775SS**  trans-101.6134.1175.5-68.4176.9179.1162.1-2.7108.6
208I29.5Very low29.2Very low158 Ų158137.5 Ų137.581%0.8178%0.776SS**  trans-129.2139.4164.1-61.2-178.1000107.3
209R27.7Very low29.3Very low251 Ų251142.6 Ų142.695%0.94778%0.781SS**  trans-63142.5177.5-83.9178.4165.1175.1-6.7109.9
210R33.8Very low29.4Very low203 Ų203144.1 Ų144.177%0.76678%0.778SS**  trans-122114.3176.5-157.2180-170.9-154.77108.4M212R210-M212 HydrophobicContact CG-CG 4.02Å; R210-M212 HydrophobicContact CG-SD 4.18Å; R210-M212 PolarHBondContact NH1-SD 3.44Å
211G31.4Very low29.6Very low82 Ų82142.5 Ų142.585%0.84577%0.772SS**  trans-70.6124.6166.100000108.8
212M31.9Very low29.9Very low101 Ų101144 Ų14450%0.49877%0.77SS.*  trans-149.7104.7175.7-72.9-174.66700109.3R210 T214R210-M212 HydrophobicContact CG-CG 4.02Å; R210-M212 HydrophobicContact CG-SD 4.18Å; R210-M212 PolarHBondContact NH1-SD 3.44Å; M212-T214 HydrophobicContact CE-CG2 4.37Å; M212-T214 PolarHBondContact O-N 3.28Å
213V35.4Very low29.9Very low115 Ų115145.2 Ų145.270%0.69777%0.769SS**  trans-86.673.6164.1-172.30000107.9
214T33.9Very low30.2Very low96 Ų96147.2 Ų147.259%0.58977%0.77SS**  trans-126.8113.5165.456.50000106.9M212M212-T214 HydrophobicContact CE-CG2 4.37Å; M212-T214 PolarHBondContact O-N 3.28Å
215G31.8Very low30.2Very low60 Ų60150.4 Ų150.462%0.61978%0.778SS**PPolyproline II helixtrans-55.3146.9-175.400000112.9V217G215-V217 PolarHBondContact O-N 2.79Å
216P31.5Very low30Very low128 Ų128152.9 Ų152.983%0.83178%0.78SS**PPolyproline II helixtrans-67.2130.2-177.328-34.2000111.1A218P216-A218 PolarHBondContact O-N 3Å
217V29.3Very low29.9Very low86 Ų86152.9 Ų152.952%0.52178%0.78SS.*PPolyproline II helixtrans-69.6119.6166.8172.80000108.5G215 Q219 A529 H530G215-V217 PolarHBondContact O-N 2.79Å; V217-Q219 PolarHBondContact O-N 2.89Å; V217-A529 HydrophobicContact CG2-CB 4.49Å; V217-H530 VanDerWaalsContact CG1-NE2 3.31Å; V217-H530 WeakPolarHBondContact CG1-NE2 3.26Å
218A27.5Very low29.5Very low98 Ų98152.6 Ų152.681%0.8178%0.779SS**  trans-62.8108.6173.500000110.2P216P216-A218 PolarHBondContact O-N 3Å
219Q26Very low29.4Very low178 Ų178154.3 Ų154.383%0.83278%0.775SS**  trans-95.5101.6178.7-170175.420.900109.7V217 S221V217-Q219 PolarHBondContact O-N 2.89Å; Q219-S221 PolarHBondContact O-N 2.91Å
220E26.9Very low29.2Very low184 Ų184149.2 Ų149.286%0.8677%0.772SS**  trans-59.195178.2-71.9-167.1128.300112.2N222E220-N222 PolarHBondContact O-N 2.79Å; E220-N222 VanDerWaalsContact O-N 3.16Å
221S28.4Very low28.8Very low98 Ų98146.1 Ų146.169%0.68577%0.766SS**  trans-84.291.6174.772.30000110.1Q219 R223Q219-S221 PolarHBondContact O-N 2.91Å; S221-R223 PolarHBondContact O-N 2.77Å
222N31.4Very low28.4Very low156 Ų156148.7 Ų148.783%0.83476%0.764SS**  trans-64.591.5179.9-137.4-49.4000111.2E220E220-N222 PolarHBondContact O-N 2.79Å; E220-N222 VanDerWaalsContact O-N 3.16Å
223R29.2Very low27.9Very low221 Ų221149.1 Ų149.183%0.83478%0.778SS**  trans-132.299.4178.7-78.5-170.7169.9-172.8-2.1111.1S221 R225S221-R223 PolarHBondContact O-N 2.77Å; R223-R225 PolarHBondContact O-N 2.81Å
224K30.4Very low27.4Very low206 Ų206152.7 Ų152.790%0.89679%0.787SS**  trans-52.3107.8166.5-70.4-179.8175.3-179.50109.9
225R26.5Very low27.3Very low248 Ų248153.7 Ų153.794%0.93680%0.795SS**  trans-90104.6172.4-159.6173.3-170.2175.71.2108.4R223 S227R223-R225 PolarHBondContact O-N 2.81Å; R225-S227 PolarHBondContact O-N 2.78Å
226Q25.8Very low26.9Very low183 Ų183158.5 Ų158.586%0.85581%0.806SS**  trans-61.9135.6172-73.6176.3-49.700109.6
227S26Very low26.6Very low111 Ų111161.2 Ų161.278%0.77681%0.805SS**  trans-66.6137.2168.2-178.90000110.1R225R225-S227 PolarHBondContact O-N 2.78Å
228R25.6Very low26.4Very low241 Ų241163.4 Ų163.491%0.90981%0.812SS**  trans-127.8122.7157.3-88-171.2167.6-170.3-4.7107.3
229R26.1Very low26.3Very low195 Ų195168.6 Ų168.674%0.73681%0.811SS**  trans-61.4143.8173.3-68.8-175.3176.5163.8-1.9110E231R229-E231 HydrophobicContact CB-CB 4.36Å; R229-E231 WeakPolarHBondContact CD-OE1 3.44Å; R229-E231 IonicContact CZ-OE1 3.24Å; R229-E231 IonicContact NE-OE1 3.45Å; R229-E231 IonicContact NH1-OE1 2.72Å; R229-E231 PolarHBondContact NH1-OE1 3.25Å
230V24.5Very low26.4Very low144 Ų144165.4 Ų165.487%0.87380%0.799SS**  trans-89.5129.6140.9177.10000105.1
231E24.5Very low26.5Very low138 Ų138165.4 Ų165.465%0.64580%0.799SS**  trans-131.1121.2-173.2-162.5155.8-11100108.2R229R229-E231 HydrophobicContact CB-CB 4.36Å; R229-E231 WeakPolarHBondContact CD-OE1 3.44Å; R229-E231 IonicContact CZ-OE1 3.24Å; R229-E231 IonicContact NE-OE1 3.45Å; R229-E231 IonicContact NH1-OE1 2.72Å; R229-E231 PolarHBondContact NH1-OE1 3.25Å
232V23.9Very low26.4Very low135 Ų135168 Ų16882%0.81880%0.801SS**  trans-99143-175.9175.70000109.5
233S22.3Very low26.3Very low111 Ų111164.3 Ų164.378%0.77679%0.787SS**  trans-64141.4-164.5-44.30000115.4
234Q24.6Very low26.3Very low189 Ų189164.3 Ų164.388%0.88379%0.787SS**  trans-131.4152.1135.5-76.8-158.6-8.200109.9
235P30.9Very low26.3Very low118 Ų118163.9 Ų163.977%0.76679%0.785SS**  trans-98.2164.4-165.738.3-36000113.6
236L24.6Very low26.4Very low161 Ų161157.1 Ų157.184%0.84378%0.776SS**  trans-163.2159.8132.3-104.6172.8000111.3
237F23.7Very low26.5Very low184 Ų184158.8 Ų158.881%0.80777%0.774SS**  trans-77.3171.2-178-51.9-91.4000111.9
238I25.1Very low26.7Very low132 Ų132160.1 Ų160.168%0.67777%0.773SS**  cis-164.8148.90.9-132.4165.5000110.3
239R25.8Very low26.7Very low208 Ų208152.2 Ų152.279%0.78577%0.767SS**  trans58166.4156.8-64.5-178.5125.1147.54.6119.9
240D28Very low27.6Very low111 Ų111148.8 Ų148.859%0.59477%0.769SS**  cis-160.4143.7-30.6-93.3-17.3000106.8
241E28.5Very low27.6Very low184 Ų184149.9 Ų149.986%0.8677%0.765SS**  trans56166.2157.8-61.6-170.9131.500119.2
242E28Very low27.7Very low152 Ų152150 Ų15071%0.7177%0.769SS**  cis-150.3143.5-2.6-142.9-149.1143.300112.6
243S29.1Very low27.7Very low78 Ų78149.3 Ų149.355%0.54577%0.765SS.*  trans54.1159.2142.395.50000126.6
244R29.8Very low27.8Very low221 Ų221150.5 Ų150.583%0.83477%0.768SS**  trans79.492149.7-69.8168-164.4-141.82.6123.8
245K28.5Very low27.8Very low197 Ų197149 Ų14986%0.85776%0.761SS**  30.2126.8118-70-174.2177.31790122.4
246S29.5Very low27.4Very low106 Ų106150.1 Ų150.174%0.74176%0.761SS**  91129.4118.9700000124.7
247R28.8Very low27.5Very low218 Ų218148.7 Ų148.782%0.82376%0.758SS**  trans87.5135.4136.2-91.4-171158177.1-1122.5
248D29.1Very low27.6Very low139 Ų139145.3 Ų145.374%0.74376%0.758SS**  trans53134.8140.7-47.7-20.5000121.5
249G25.4Very low27.5Very low76 Ų76143.8 Ų143.878%0.78476%0.759SS**  trans142.1128165.600000115
250P46.2Very low27.6Very low122 Ų122143.8 Ų143.879%0.79276%0.759SS**  trans-116.4-176.1-18042.7-33.9000115
251E24.6Very low27.5Very low168 Ų168145.6 Ų145.679%0.78576%0.764SS**  trans91.8136.7155.8-79.1-166.5155.900122.6
252L25.2Very low27.4Very low139 Ų139142.7 Ų142.773%0.72875%0.75SS**  trans67.5110.9149.1-66.3167.2000122.1
253T24.3Very low27.4Very low121 Ų121144 Ų14474%0.74275%0.749SS**  trans34.2124.713557.70000121.1
254V25.1Very low27.2Very low137 Ų137146.4 Ų146.483%0.8376%0.755SS**  -166.2165.7117.3136.10000111.2
255Q23.4Very low27.1Very low158 Ų158143.1 Ų143.174%0.73875%0.753SS**  trans-74.3167.4-171.1-57.2152.7-55.700114.7
256N23.9Very low27Very low141 Ų141142.5 Ų142.575%0.75475%0.753SS**  31.5153.8130-53-0.4000120.5
257T25.6Very low27Very low130 Ų130142.1 Ų142.180%0.79875%0.75SS**  cis-166.315720.1-16.40000111.4
258S25.9Very low26.9Very low114 Ų114137.9 Ų137.980%0.79775%0.748SS**  trans173.3156.3139.639.10000108.2
259S23.7Very low26.8Very low99 Ų99137.7 Ų137.769%0.69275%0.747SS**  cis-142.6144.715173.10000111.8
260W26.5Very low27Very low208 Ų208138.2 Ų138.279%0.78874%0.739SS**  trans-5.6145.4146-40.983.2000117.4
261E26.4Very low26.3Very low150 Ų150139.6 Ų139.670%0.70173%0.732SS**  cis-158.5-169.52.3-127.4171.9144.400108.5
262E26.7Very low26.5Very low122 Ų122138.3 Ų138.357%0.5773%0.726SS**  cis-160.5174.413.4-133.8-165-155.500106.8
263R27.4Very low26.6Very low181 Ų181139 Ų13968%0.68373%0.726SS**  cis-155.2-165.7-4.5-153.4-162.2-77.4-123-14.2109
264N24.7Very low26.7Very low128 Ų128138.5 Ų138.568%0.68472%0.719SS**  trans-46.9148.5-178.9-55.4-10.4000118.1
265I28.9Very low26.9Very low152 Ų152140.1 Ų140.178%0.77972%0.717SS**  cis89.7118.124.8-59165.3000115.7
266E26.1Very low27.1Very low184 Ų184139.4 Ų139.486%0.8671%0.714SS**  trans174.8156130.7-95.3-175.1-164.900107.3
267S28.1Very low27.2Very low98 Ų98142.1 Ų142.169%0.68572%0.722SS**  cis-168.1166.6-23.959.70000106.2
268V27.3Very low27.4Very low128 Ų128143.2 Ų143.278%0.77672%0.716SS**  cis-144.315412.1177.90000110
269D28.1Very low27.4Very low136 Ų136141.3 Ų141.373%0.72771%0.714SS**  trans-11163.6143.8-128.2-1.6000119.6
270S29.1Very low27.5Very low86 Ų86145 Ų14560%0.60172%0.717SS**  cis-167.6155.421.556.60000114.8
271K30.8Very low27.5Very low151 Ų151145.9 Ų145.966%0.65772%0.721SS**  trans49.8155.9134-64.7172.7158.7-73.40120.9
272E28.4Very low27.4Very low141 Ų141142.8 Ų142.866%0.65972%0.716SS**  cis-164.9-175.4-14.3-110.2155.9-177.600106.5
273E27.8Very low27.4Very low155 Ų155146.9 Ų146.972%0.72473%0.732SS**  cis-156.7-156.415.6-144-163.698.100112.8
274N27.1Very low27.4Very low110 Ų110142.2 Ų142.259%0.58874%0.739SS**  trans-50.6172.5173.1-76.6-46.9000119.4
275Q29Very low27.5Very low171 Ų171145.3 Ų145.380%0.79975%0.75SS**  cis-157.1-179.53.2-127.4155.842.100114.7
276E27.9Very low27.4Very low143 Ų143149.8 Ų149.867%0.66876%0.757SS**  trans-84.2164177.1-47.4175.999.900115.1K278E276-K278 WeakPolarHBondContact OE1-CE 3.2Å; E276-K278 IonicContact OE1-NZ 2.78Å; E276-K278 PolarHBondContact OE1-NZ 2.96Å; E276-K278 IonicContact OE2-NZ 3.69Å; E276-K278 PolarHBondContact OE2-NZ 2.9Å
277E26.5Very low27.4Very low198 Ų198147.1 Ų147.193%0.92575%0.753SS**  -156179.3126.6-126.5-171.2177.900114.6
278K28.4Very low27.3Very low153 Ų153148.3 Ų148.367%0.66576%0.756SS**  trans-138139-150-62.2179.5173.687.70117.3E276E276-K278 WeakPolarHBondContact OE1-CE 3.2Å; E276-K278 IonicContact OE1-NZ 2.78Å; E276-K278 PolarHBondContact OE1-NZ 2.96Å; E276-K278 IonicContact OE2-NZ 3.69Å; E276-K278 PolarHBondContact OE2-NZ 2.9Å
279G25.6Very low27.2Very low73 Ų73149.4 Ų149.475%0.75376%0.758SS**  trans84.1179.214700000118.8
280F25.8Very low27.1Very low176 Ų176149.7 Ų149.777%0.77277%0.765SS**  cis-166.6143-16.5-150.2-112.3000111.8
281R27.2Very low27.1Very low227 Ų227153.1 Ų153.186%0.85778%0.775SS**  trans65.4165166.4-86.6175.8-175.6169.62116.9
282S25.6Very low26.9Very low85 Ų85155.6 Ų155.659%0.59479%0.785SS**  cis-159.6151.74.6121.10000114.2
283K26.2Very low26.8Very low209 Ų209155 Ų15591%0.90979%0.791SS**  trans65.5136.8154.8-69.9171.1-177.6176.80120.4
284G27Very low26.7Very low82 Ų82157.3 Ų157.385%0.84580%0.799SS**  trans168.6103.316400000112.6
285Q26.7Very low26.6Very low193 Ų193160.1 Ų160.190%0.90281%0.811SS**  trans-109.8117-176.8-138.1-176.3-1700110.5
286R26.4Very low26.6Very low246 Ų246159.2 Ų159.293%0.92880%0.804SS**  trans-173.4150.9136.4-106.9165.6175.7169.6-2.3114.3
287T26Very low26.6Very low128 Ų128158.9 Ų158.979%0.78581%0.814SS**  trans-61.8145.7177.146.70000114.6
288V26.3Very low26.5Very low123 Ų123155.4 Ų155.475%0.74580%0.802SS**  -177.1143.5115.1144.80000111
289N26.5Very low26.5Very low151 Ų151151.8 Ų151.881%0.80780%0.8SS**  trans42.5110.5165.5-62.7-4.5000120.7
290T25.1Very low26.7Very low142 Ų142156.9 Ų156.987%0.87180%0.804SS**  trans-103.7111.1164.6-6.30000111.3
291I29.1Very low27.1Very low159 Ų159157.5 Ų157.582%0.81581%0.81SS**  trans-95.3129.3159-66.9178.8000107.5V293I291-V293 PolarHBondContact O-N 2.61Å
292K26.4Very low27.3Very low202 Ų202154.4 Ų154.488%0.87881%0.809SS**  trans-82.3101.3-176.4-69.8179178.1176.20111.2
293V26.2Very low27.8Very low129 Ų129158.3 Ų158.378%0.78282%0.823SS**  trans-89.1131157.6178.60000108.3I291I291-V293 PolarHBondContact O-N 2.61Å
294K25.4Very low28.3Very low204 Ų204153 Ų15389%0.88781%0.808SS**  trans-111.6105.9179-174.7-172.6-177.7-171.10108.2
295M25.4Very low29Very low169 Ų169152.5 Ų152.583%0.83380%0.796SS**  trans-80.3153.2177.4-71.8-163.371.600112.4
296K28.6Very low30.1Very low151 Ų151151.3 Ų151.366%0.65779%0.791SS**  trans-61.2167.8159.8-80.8-172.4161.6-147.20110.2D298K296-D298 HydrophobicContact CD-CB 3.66Å; K296-D298 HydrophobicContact CG-CB 4.37Å; K296-D298 VanDerWaalsContact NZ-CB 3.29Å; K296-D298 IonicContact NZ-OD2 2.71Å; K296-D298 PolarHBondContact NZ-OD2 3.49Å
297P27.9Very low31.1Very low136 Ų136141 Ų14188%0.88375%0.754SS**  -115.2147.492.134.5-36.2000112.1
298D25.4Very low32Very low125 Ų125139.6 Ų139.667%0.66874%0.744SS**  trans-161.8131.2170.2-1557000105.3K296K296-D298 HydrophobicContact CD-CB 3.66Å; K296-D298 HydrophobicContact CG-CB 4.37Å; K296-D298 VanDerWaalsContact NZ-CB 3.29Å; K296-D298 IonicContact NZ-OD2 2.71Å; K296-D298 PolarHBondContact NZ-OD2 3.49Å
299A28.8Very low32.9Very low77 Ų77137.5 Ų137.564%0.63673%0.729SS**  trans-117.9162.4-157.600000113.3
300H29.4Very low33.4Very low181 Ų181136.4 Ų136.484%0.83872%0.723SS**  trans67.3101173.7-60.6-70.2000116.7
301E33.7Very low34.3Very low188 Ų188134.7 Ų134.788%0.87971%0.708SS**  trans-59.6136152.7-59.3164110.600109.9
302L30.6Very low34.7Very low162 Ų162135 Ų13585%0.84871%0.71SS**  trans-122.8109155-77.8176.3000108V304L302-V304 PolarHBondContact O-N 3.29Å
303N37.2Very low35.4Very low167 Ų167132.3 Ų132.389%0.89371%0.705SS**  trans-86.1101.3-177.4-175.23.3000109.5
304V37.2Very low36.1Very low98 Ų98133.3 Ų133.359%0.59471%0.706SS**  trans-122.4127.3-179.1-174.50000109.3L302 E306L302-V304 PolarHBondContact O-N 3.29Å; V304-E306 PolarHBondContact O-N 3.43Å
305A41.7Very low36.8Very low72 Ų72128.8 Ų128.860%0.59570%0.7SS**  trans-61.5124.7-169.500000113.2R35R35-A305 PolarHBondContact NH1-O 2.97Å
306E48.3Very low37Very low168 Ų168123.6 Ų123.679%0.78569%0.69SS**  trans-66.9149.3171.7-171.9163.9-156.500111.1V304 V308V304-E306 PolarHBondContact O-N 3.43Å; E306-V308 PolarHBondContact O-N 3.09Å
307M47.5Very low37.3Very low30 Ų30120.4 Ų120.415%0.14870%0.7CS.*  trans-74.292.8171.3-78.2-176.869.700109.5N41 L309N41-M307 WeakPolarHBondContact O-CE 3.47Å; M307-L309 PolarHBondContact O-N 2.85Å; M307-L309 VanDerWaalsContact O-N 3.12Å
308V46.2Very low37.4Very low97 Ų97121.7 Ų121.759%0.58870%0.699SS**  trans-62.7112.5171-176.30000109.1E306 D310E306-V308 PolarHBondContact O-N 3.09Å; V308-D310 PolarHBondContact O-N 3.22Å
309L43.8Very low37.8Very low80 Ų80121.3 Ų121.342%0.41970%0.703SS.*  trans-97.876.7178.3-69.9179.1000110.2M307 D311M307-L309 PolarHBondContact O-N 2.85Å; M307-L309 VanDerWaalsContact O-N 3.12Å; L309-D311 VanDerWaalsContact C-N 3.32Å; L309-D311 PolarHBondContact O-N 2.93Å
310D37.8Very low38Very low128 Ų128126.4 Ų126.468%0.68471%0.714SS**  trans-70.485.7169.7-69.7-30.2000110.9V308V308-D310 PolarHBondContact O-N 3.22Å
311D43.6Very low38.2Very low106 Ų106127.2 Ų127.257%0.56772%0.718SS**  trans-114.998.8154.5-79.2-50.5000106R19 L309R19-D311 IonicContact NH2-OD2 2.7Å; L309-D311 VanDerWaalsContact C-N 3.32Å; L309-D311 PolarHBondContact O-N 2.93Å
312I37.6Very low38Very low164 Ų164124.2 Ų124.284%0.84171%0.712SS**  trans-65.3133175.1-70.4173.7000109.1
313D42.2Very low38.3Very low146 Ų146119.7 Ų119.778%0.78169%0.693SS**  trans-71.9133.9176.9-173.518.2000111.2
314D40.1Very low38Very low151 Ų151119.7 Ų119.781%0.80769%0.691SS**  trans-145.877.5169.1-156-7.1000111.5
315S39.4Very low37.8Very low108 Ų108121.3 Ų121.376%0.75569%0.692SS**  trans79.1119.4144.5-159.60000119.3
316G29.8Very low37.4Very low61 Ų61126.2 Ų126.263%0.62970%0.695SS**  trans160.957.8173.400000112.4L318G316-L318 PolarHBondContact O-N 2.89Å
317G36.2Very low36.9Very low84 Ų84123.3 Ų123.387%0.86670%0.7SS**PPolyproline II helixtrans-48.6121.5-164.500000115.5
318L28.4Very low36.7Very low163 Ų163125.2 Ų125.285%0.85371%0.711SS**PPolyproline II helixtrans-88.4141.8175.4-67.5171.8000111.1G316G316-L318 PolarHBondContact O-N 2.89Å
319P34.1Very low36.3Very low116 Ų116124.9 Ų124.975%0.75371%0.712SS**PPolyproline II helixtrans-62.5168.7163.6-20.533.4000112.5
320E32.8Very low36.5Very low185 Ų185127.7 Ų127.786%0.86472%0.721SS**SBendtrans-49.3152.1176-58.5179.6125.800113.4V322E320-V322 PolarHBondContact O-N 2.9Å
321E33.9Very low37Very low197 Ų197127.1 Ų127.192%0.92171%0.713SS**  trans-6286.6-173-66.2-166.9129.400114.1P323E321-P323 WeakPolarHBondContact O-CD 3.22Å
322V30.6Very low38Very low126 Ų126128 Ų12876%0.76472%0.722SS**  trans-71.6124.3163.4-177.50000108.4E320 L324E320-V322 PolarHBondContact O-N 2.9Å; V322-L324 PolarHBondContact O-N 3.07Å
323P36Very low39.8Very low67 Ų67122.2 Ų122.244%0.43569%0.691SS.*  trans-55.2135.2179.8-2835.8000112.4E321 H325E321-P323 WeakPolarHBondContact O-CD 3.22Å; P323-H325 PolarHBondContact O-N 2.74Å
324L30.3Very low41.7Very low166 Ų166120.4 Ų120.487%0.86969%0.687SS**  trans-76.972.8-168.3-148.5148.6000111.3V322 R326V322-L324 PolarHBondContact O-N 3.07Å; L324-R326 PolarHBondContact O-N 2.78Å
325H33.6Very low44.1Very low133 Ų133114.6 Ų114.662%0.61666%0.663SS**  trans-57.4111.7169.3-83.8-91.7000109.2P323 A327P323-H325 PolarHBondContact O-N 2.74Å; H325-A327 PolarHBondContact O-N 3.03Å
326R34.3Very low46.7Very low174 Ų174117.9 Ų117.966%0.65766%0.659SS**  trans-41.6132.2159.4-179.1-175.4-77153.4-3.9108.1L324 I328 E490L324-R326 PolarHBondContact O-N 2.78Å; R326-I328 HydrophobicContact CB-CG1 4.4Å; R326-I328 HydrophobicContact CG-CG1 4.16Å; R326-I328 PolarHBondContact O-N 3.15Å; R326-E490 IonicContact NH1-OE1 3.96Å
327A37.8Very low49.8Very low108 Ų108118.6 Ų118.689%0.89365%0.652SS**  trans-74.159.2-178.200000112.3H325H325-A327 PolarHBondContact O-N 3.03Å
328I42.7Very low52.7Low70 Ų70115 Ų11536%0.35961%0.613SS.*  trans-60.9145159.4-58161.8000106.9R326 K330 Q487R326-I328 HydrophobicContact CB-CG1 4.4Å; R326-I328 HydrophobicContact CG-CG1 4.16Å; R326-I328 PolarHBondContact O-N 3.15Å; I328-K330 PolarHBondContact O-N 2.88Å; I328-Q487 HydrophobicContact CD1-CG 4.32Å; I328-Q487 HydrophobicContact CG2-CG 4.04Å
329S38.5Very low55.8Low90 Ų90110.6 Ų110.663%0.62959%0.59SS**  trans-59.4109.6170-172.50000109F331S329-F331 VanDerWaalsContact C-N 3.28Å; S329-F331 PolarHBondContact O-N 2.89Å
330K46.1Very low58.6Low138 Ų138106.2 Ų106.260%0.656%0.56SS**  trans-74.680.5-175.5-74.8-171175.9-176.70111I328 T332I328-K330 PolarHBondContact O-N 2.88Å; K330-T332 VanDerWaalsContact C-N 3.33Å; K330-T332 PolarHBondContact O-N 3.29Å; K330-T332 PolarHBondContact O-OG1 3.39Å
331F49.8Very low61.5Low117 Ų117105.1 Ų105.151%0.51355%0.548SS..  trans-56.1103.8150.1-70.5-84.8000107.2S329 F333 V483S329-F331 VanDerWaalsContact C-N 3.28Å; S329-F331 PolarHBondContact O-N 2.89Å; F331-F333 HydrophobicContact CB-CD2 3.91Å; F331-F333 HydrophobicContact CB-CE2 3.34Å; F331-F333 HydrophobicContact CB-CZ 3.77Å; F331-F333 HydrophobicContact CD1-CZ 4.49Å; F331-F333 HydrophobicContact CG-CE2 4.25Å; F331-F333 HydrophobicContact CG-CZ 4.36Å; F331-F333 WeakPolarHBondContact O-CD2 3.38Å; F331-F333 PolarHBondContact O-N 2.85Å; F331-V483 HydrophobicContact CD2-CG1 4.19Å
332T63.3Low64.4Low123 Ų12398.6 Ų98.676%0.75552%0.519SS*.  trans-8763.9-166.5-52.50000109.7K330 P334K330-T332 VanDerWaalsContact C-N 3.33Å; K330-T332 PolarHBondContact O-N 3.29Å; K330-T332 PolarHBondContact O-OG1 3.39Å; T332-P334 WeakPolarHBondContact O-CD 3.34Å
333F75.9Confident67.5Low44 Ų4492.6 Ų92.619%0.19348%0.483CS..  trans-61.7123.3173.8-59.5-69000109.2F331 G335 F473 V475 D480 V483 I484F331-F333 HydrophobicContact CB-CD2 3.91Å; F331-F333 HydrophobicContact CB-CE2 3.34Å; F331-F333 HydrophobicContact CB-CZ 3.77Å; F331-F333 HydrophobicContact CD1-CZ 4.49Å; F331-F333 HydrophobicContact CG-CE2 4.25Å; F331-F333 HydrophobicContact CG-CZ 4.36Å; F331-F333 WeakPolarHBondContact O-CD2 3.38Å; F331-F333 PolarHBondContact O-N 2.85Å; F333-G335 VanDerWaalsContact C-N 3.34Å; F333-G335 PolarHBondContact O-N 3.18Å; F333-F473 HydrophobicContact CB-CD1 3.9Å; F333-F473 HydrophobicContact CB-CE1 4.48Å; F333-F473 WeakPolarHBondContact O-CE1 3.26Å; F333-V475 HydrophobicContact CD1-CG1 4.13Å; F333-V475 HydrophobicContact CE1-CG1 4.3Å; F333-D480 HydrophobicContact CE1-CB 3.63Å; F333-D480 HydrophobicContact CZ-CB 3.55Å; F333-V483 HydrophobicContact CE2-CG1 4.25Å; F333-I484 HydrophobicContact CB-CD1 4.07Å; F333-I484 HydrophobicContact CD1-CD1 4.15Å; F333-I484 HydrophobicContact CD2-CD1 3.58Å; F333-I484 HydrophobicContact CD2-CG1 3.4Å; F333-I484 VanDerWaalsContact CD2-CG1 3.4Å; F333-I484 HydrophobicContact CE2-CD1 3.97Å; F333-I484 HydrophobicContact CE2-CG1 3.59Å; F333-I484 HydrophobicContact CG-CD1 3.67Å; F333-I484 HydrophobicContact CG-CG1 4.05Å; F333-I484 HydrophobicContact CZ-CD1 4.45Å; F333-I484 HydrophobicContact CZ-CG1 4.4Å
334P82.4Confident70.3Confident108 Ų10892 Ų9270%0.70148%0.475SS*.  trans-76.784.4-174.130.2-34.7000111T332 R336T332-P334 WeakPolarHBondContact O-CD 3.34Å; P334-R336 PolarHBondContact O-N 2.92Å
335G89.6Confident73.5Confident29 Ų2985.7 Ų85.730%0.29944%0.441SS..PPolyproline II helixtrans-59.2126.8175.900000111.8F333 F473F333-G335 VanDerWaalsContact C-N 3.34Å; F333-G335 PolarHBondContact O-N 3.18Å; G335-F473 VanDerWaalsContact CA-CE1 3.44Å
336R94.2Very high76.5Confident177 Ų17779.4 Ų79.467%0.66841%0.412SS*.EExtended strand (participates in β ladder)trans-94124.1179.4-61-174.6-177.4-167.72.1109.5P334 C472P334-R336 PolarHBondContact O-N 2.92Å; R336-C472 PolarHBondContact N-O 3.21Å; R336-C472 PolarHBondContact O-N 2.98Å
337P95.4Very high79.5Confident76 Ų7671.1 Ų71.149%0.49438%0.38SS..EExtended strand (participates in β ladder)trans-55.9140.2168.6-26.536.5000111.5H454P337-H454 HydrophobicContact CB-CB 3.88Å
338M95.9Very high82.3Confident9 Ų968.8 Ų68.84%0.04436%0.355CS..PPolyproline II helixtrans-64.7133.9168.1-179.261.966.800109.8N342 A343 L346 F455 F467 M470 L508M338-N342 HydrophobicContact SD-CB 3.62Å; M338-A343 HydrophobicContact CG-CB 4.12Å; M338-A343 HydrophobicContact SD-CB 4.4Å; M338-L346 HydrophobicContact CE-CD1 3.48Å; M338-L346 VanDerWaalsContact CE-CD1 3.48Å; M338-L346 HydrophobicContact SD-CD1 3.99Å; M338-F455 HydrophobicContact CG-CE1 4.19Å; M338-F455 VanDerWaalsContact O-CD1 3.29Å; M338-F455 WeakPolarHBondContact O-CD1 3Å; M338-F467 WeakPolarHBondContact CB-O 3.19Å; M338-F467 HydrophobicContact CE-CD1 4.47Å; M338-F467 HydrophobicContact CG-CB 4.3Å; M338-F467 WeakPolarHBondContact CG-O 3.24Å; M338-M470 HydrophobicContact CB-CB 3.87Å; M338-M470 HydrophobicContact CB-CG 4.47Å; M338-M470 WeakPolarHBondContact CB-O 3.44Å; M338-M470 HydrophobicContact CE-CG 4.22Å; M338-M470 HydrophobicContact CE-SD 3.67Å; M338-M470 HydrophobicContact CG-CB 4.39Å; M338-M470 PolarHBondContact N-O 3.25Å; M338-L508 HydrophobicContact CE-CD1 4.14Å
339D94.1Very high84.9Confident69 Ų6965.7 Ų65.737%0.36934%0.339SS..PPolyproline II helixtrans-101.2166.4172.970.476.2000112.4R341 N342 A343D339-R341 PolarHBondContact O-N 3.02Å; D339-R341 WeakPolarHBondContact OD1-CA 3.49Å; D339-R341 WeakPolarHBondContact OD1-CB 3.21Å; D339-R341 PolarHBondContact OD1-N 3.4Å; D339-N342 PolarHBondContact O-N 3.04Å; D339-N342 PolarHBondContact OD1-N 2.83Å; D339-N342 PolarHBondContact OD2-ND2 3.27Å; D339-A343 VanDerWaalsContact O-CB 3.29Å; D339-A343 WeakPolarHBondContact O-CB 3.42Å; D339-A343 PolarHBondContact O-N 2.92Å
340H93.6Very high87.7Confident24 Ų2461.4 Ų61.411%0.11131%0.309CS..Hα-helixtrans-63.2-34.9-177174.4-89.5000113.8M344 F455 F458H340-M344 WeakPolarHBondContact O-CB 3.5Å; H340-M344 PolarHBondContact O-N 3.4Å; H340-F455 HydrophobicContact CB-CD2 3.74Å; H340-F455 HydrophobicContact CB-CE2 3.97Å; H340-F455 HydrophobicContact CB-CG 4.18Å; H340-F455 AromaticContact CD2-CE2 3.91Å; H340-F458 HydrophobicContact CB-CE1 3.97Å; H340-F458 HydrophobicContact CB-CZ 4.31Å; H340-F458 AromaticContact CD2-CD1 3.79Å; H340-F458 AromaticContact CD2-CE1 3.64Å; H340-F458 AromaticContact CE1-CD2 3.87Å; H340-F458 AromaticContact CE1-CE1 3.85Å; H340-F458 AromaticContact CE1-CE2 3.47Å; H340-F458 VanDerWaalsContact CE1-CE2 3.47Å; H340-F458 WeakPolarHBondContact CE1-CE2 3.45Å; H340-F458 AromaticContact CE1-CZ 3.46Å; H340-F458 VanDerWaalsContact CE1-CZ 3.46Å; H340-F458 WeakPolarHBondContact CE1-CZ 3.35Å; H340-F458 AromaticContact CG-CE1 3.51Å; H340-F458 AromaticContact CG-CZ 3.67Å; H340-F458 AromaticContact ND1-CE1 3.66Å; H340-F458 AromaticContact ND1-CE2 3.77Å; H340-F458 AromaticContact ND1-CZ 3.29Å; H340-F458 VanDerWaalsContact ND1-CZ 3.29Å; H340-F458 WeakPolarHBondContact ND1-CZ 3.15Å; H340-F458 AromaticContact NE2-CD1 3.84Å; H340-F458 AromaticContact NE2-CD2 3.97Å; H340-F458 AromaticContact NE2-CE1 3.85Å; H340-F458 AromaticContact NE2-CE2 3.98Å; H340-F458 AromaticContact NE2-CG 3.9Å; H340-F458 AromaticContact NE2-CZ 3.92Å; H340-F458 PolarHBondContact NE2-O 3.16Å
341R94Very high90.1Very high162 Ų16256.1 Ų56.161%0.61129%0.288SS*.Hα-helixtrans-69.7-52.2179177.5-174.4166.5-166.4-9.9109.6D339 A343 M344 E345D339-R341 PolarHBondContact O-N 3.02Å; D339-R341 WeakPolarHBondContact OD1-CA 3.49Å; D339-R341 WeakPolarHBondContact OD1-CB 3.21Å; D339-R341 PolarHBondContact OD1-N 3.4Å; R341-A343 VanDerWaalsContact C-N 3.28Å; R341-A343 PolarHBondContact O-N 2.82Å; R341-M344 PolarHBondContact O-N 2.7Å; R341-E345 HydrophobicContact CG-CG 4.44Å; R341-E345 IonicContact CZ-OE1 3.45Å; R341-E345 VanDerWaalsContact CZ-OE1 3.24Å; R341-E345 IonicContact NE-OE1 2.69Å; R341-E345 PolarHBondContact NE-OE1 3.17Å; R341-E345 IonicContact NH2-OE1 3.36Å; R341-E345 PolarHBondContact NH2-OE1 2.87Å; R341-E345 PolarHBondContact O-N 2.75Å
342N94.6Very high92.3Very high61 Ų6152.6 Ų52.633%0.32628%0.284SS..Hα-helixtrans-60.3-39.3178.5-81.6-50.7000111.3M338 D339 M344 E345 L346M338-N342 HydrophobicContact SD-CB 3.62Å; D339-N342 PolarHBondContact O-N 3.04Å; D339-N342 PolarHBondContact OD1-N 2.83Å; D339-N342 PolarHBondContact OD2-ND2 3.27Å; N342-M344 PolarHBondContact O-N 3.35Å; N342-E345 PolarHBondContact O-N 2.95Å; N342-L346 VanDerWaalsContact O-CB 3.26Å; N342-L346 WeakPolarHBondContact O-CB 3.14Å; N342-L346 WeakPolarHBondContact O-CD1 3.41Å; N342-L346 WeakPolarHBondContact O-CG 3.32Å; N342-L346 PolarHBondContact O-N 2.75Å
343A95.9Very high93.8Very high0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-61.3-3917200000113.5M338 D339 R341 K347 F455 Y461 F467M338-A343 HydrophobicContact CG-CB 4.12Å; M338-A343 HydrophobicContact SD-CB 4.4Å; D339-A343 VanDerWaalsContact O-CB 3.29Å; D339-A343 WeakPolarHBondContact O-CB 3.42Å; D339-A343 PolarHBondContact O-N 2.92Å; R341-A343 VanDerWaalsContact C-N 3.28Å; R341-A343 PolarHBondContact O-N 2.82Å; A343-K347 WeakPolarHBondContact O-CB 3.42Å; A343-K347 WeakPolarHBondContact O-CG 3.36Å; A343-K347 PolarHBondContact O-N 2.77Å; A343-F455 HydrophobicContact CB-CE1 4.06Å; A343-F455 HydrophobicContact CB-CZ 3.55Å; A343-Y461 HydrophobicContact CB-CE2 3.98Å; A343-F467 HydrophobicContact CB-CB 3.67Å; A343-F467 HydrophobicContact CB-CG 4.07Å
344M95.2Very high94.5Very high55 Ų5546.9 Ų46.927%0.27126%0.255SS..Hα-helixtrans-71-41.1177-176.3177.7-72.500112.4H340 R341 N342 K347 T348H340-M344 WeakPolarHBondContact O-CB 3.5Å; H340-M344 PolarHBondContact O-N 3.4Å; R341-M344 PolarHBondContact O-N 2.7Å; N342-M344 PolarHBondContact O-N 3.35Å; M344-K347 PolarHBondContact O-N 3.4Å; M344-T348 WeakPolarHBondContact O-CB 3.12Å; M344-T348 PolarHBondContact O-N 3.34Å; M344-T348 PolarHBondContact O-OG1 3.13Å
345E96.2Very high95Very high33 Ų3346 Ų4615%0.15424%0.244CC..Hα-helixtrans-68-40.8176.4-66.3-149.6-130.900111.6R341 N342 T348 I349 I512 R516R341-E345 HydrophobicContact CG-CG 4.44Å; R341-E345 IonicContact CZ-OE1 3.45Å; R341-E345 VanDerWaalsContact CZ-OE1 3.24Å; R341-E345 IonicContact NE-OE1 2.69Å; R341-E345 PolarHBondContact NE-OE1 3.17Å; R341-E345 IonicContact NH2-OE1 3.36Å; R341-E345 PolarHBondContact NH2-OE1 2.87Å; R341-E345 PolarHBondContact O-N 2.75Å; N342-E345 PolarHBondContact O-N 2.95Å; E345-T348 PolarHBondContact O-N 2.75Å; E345-T348 VanDerWaalsContact O-N 3.15Å; E345-I349 PolarHBondContact O-N 2.97Å; E345-I512 HydrophobicContact CB-CD1 3.85Å; E345-R516 IonicContact OE2-CZ 2.75Å; E345-R516 IonicContact OE2-NH1 3.63Å; E345-R516 PolarHBondContact OE2-NH1 2.87Å; E345-R516 IonicContact OE2-NH2 3.3Å; E345-R516 PolarHBondContact OE2-NH2 3.18Å
346L97.4Very high95.2Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-60.2-47.2171.4-75.1168.1000112M338 N342 T348 I349 L350 F467 V504 V507 L508 I512M338-L346 HydrophobicContact CE-CD1 3.48Å; M338-L346 VanDerWaalsContact CE-CD1 3.48Å; M338-L346 HydrophobicContact SD-CD1 3.99Å; N342-L346 VanDerWaalsContact O-CB 3.26Å; N342-L346 WeakPolarHBondContact O-CB 3.14Å; N342-L346 WeakPolarHBondContact O-CD1 3.41Å; N342-L346 WeakPolarHBondContact O-CG 3.32Å; N342-L346 PolarHBondContact O-N 2.75Å; L346-T348 PolarHBondContact O-N 3.06Å; L346-I349 PolarHBondContact O-N 3.36Å; L346-L350 HydrophobicContact CB-CD1 4.48Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 WeakPolarHBondContact O-CG 3.2Å; L346-L350 PolarHBondContact O-N 3.29Å; L346-F467 HydrophobicContact CB-CE1 3.91Å; L346-F467 HydrophobicContact CB-CZ 4.07Å; L346-F467 HydrophobicContact CD1-CD1 4.24Å; L346-F467 HydrophobicContact CD1-CE1 3.86Å; L346-V504 HydrophobicContact CD1-CG1 3.82Å; L346-V504 HydrophobicContact CD2-CG1 4.28Å; L346-V507 HydrophobicContact CD2-CB 4.42Å; L346-V507 HydrophobicContact CD2-CG1 3.81Å; L346-L508 HydrophobicContact CD1-CD1 4.34Å; L346-L508 HydrophobicContact CD1-CD2 4.27Å; L346-L508 HydrophobicContact CD1-CG 4.47Å; L346-L508 HydrophobicContact CD2-CD2 4.11Å; L346-L508 HydrophobicContact CD2-CG 4.26Å; L346-I512 HydrophobicContact CD2-CD1 4.04Å; L346-I512 HydrophobicContact CD2-CG1 4.29Å; L346-I512 HydrophobicContact CG-CD1 4.01Å
347K96.2Very high95.2Very high0 Ų040.5 Ų40.50%023%0.228CC..Hα-helixtrans-59.8-34173.6-81.8-160.7170.9-146.50113A343 M344 L351 G352 G354 S356 Y461 R462 E464 F467A343-K347 WeakPolarHBondContact O-CB 3.42Å; A343-K347 WeakPolarHBondContact O-CG 3.36Å; A343-K347 PolarHBondContact O-N 2.77Å; M344-K347 PolarHBondContact O-N 3.4Å; K347-L351 CarbonylContact O-C 3.48Å; K347-L351 WeakPolarHBondContact O-CA 3.26Å; K347-L351 WeakPolarHBondContact O-CB 3.25Å; K347-L351 PolarHBondContact O-N 2.88Å; K347-G352 PolarHBondContact O-N 3.03Å; K347-G354 WeakPolarHBondContact CD-O 3.43Å; K347-S356 PolarHBondContact NZ-O 3.32Å; K347-Y461 HydrophobicContact CD-CD2 4.08Å; K347-Y461 HydrophobicContact CD-CE2 3.7Å; K347-Y461 HydrophobicContact CG-CE2 4.35Å; K347-R462 PolarHBondContact NZ-O 3.42Å; K347-E464 WeakPolarHBondContact CE-OE2 3.1Å; K347-E464 IonicContact NZ-OE2 2.77Å; K347-E464 PolarHBondContact NZ-OE2 2.64Å; K347-F467 HydrophobicContact CD-CE2 4.35Å; K347-F467 HydrophobicContact CG-CD2 4.02Å; K347-F467 HydrophobicContact CG-CE2 3.52Å; K347-F467 HydrophobicContact CG-CZ 4.38Å
348T96.4Very high95.2Very high59 Ų5937.1 Ų37.136%0.36221%0.206SC..Hα-helixtrans-72.8-44.3-179.7-55.20000111.6M344 E345 L346 G352M344-T348 WeakPolarHBondContact O-CB 3.12Å; M344-T348 PolarHBondContact O-N 3.34Å; M344-T348 PolarHBondContact O-OG1 3.13Å; E345-T348 PolarHBondContact O-N 2.75Å; E345-T348 VanDerWaalsContact O-N 3.15Å; L346-T348 PolarHBondContact O-N 3.06Å; T348-G352 WeakPolarHBondContact O-CA 3.37Å; T348-G352 PolarHBondContact O-N 3.39Å
349I98.1Very high95.2Very high5 Ų538.6 Ų38.63%0.02622%0.217CC..Hα-helixtrans-76.7-28178.8-158.3167.2000113.2E345 L346 V507 I512 V515 R516 M519 P525 L526E345-I349 PolarHBondContact O-N 2.97Å; L346-I349 PolarHBondContact O-N 3.36Å; I349-V507 HydrophobicContact CG2-CG1 4.19Å; I349-I512 HydrophobicContact CB-CG2 4.43Å; I349-I512 HydrophobicContact CD1-CG2 3.79Å; I349-I512 HydrophobicContact CG2-CG2 4.31Å; I349-V515 HydrophobicContact CD1-CB 3.78Å; I349-V515 HydrophobicContact CD1-CG1 3.44Å; I349-V515 VanDerWaalsContact CD1-CG1 3.44Å; I349-V515 HydrophobicContact CG1-CG1 4.21Å; I349-R516 HydrophobicContact CD1-CG 3.79Å; I349-M519 HydrophobicContact CD1-CE 4.34Å; I349-M519 HydrophobicContact CG1-CE 4.28Å; I349-P525 WeakPolarHBondContact O-CA 3.37Å; I349-L526 PolarHBondContact O-N 3.27Å
350L97.9Very high95.2Very high0 Ų039.2 Ų39.20%022%0.223CC..Hα-helixtrans-85.2-41.9178.2-64.5173.4000113L346 F358 F467 V503 V504 V507 L526 I527L346-L350 HydrophobicContact CB-CD1 4.48Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 WeakPolarHBondContact O-CG 3.2Å; L346-L350 PolarHBondContact O-N 3.29Å; L350-F358 HydrophobicContact CD1-CZ 4.05Å; L350-F467 HydrophobicContact CD1-CZ 4.3Å; L350-V503 HydrophobicContact CD2-CG1 3.46Å; L350-V503 VanDerWaalsContact CD2-CG1 3.46Å; L350-V504 HydrophobicContact CD1-CG2 3.84Å; L350-V507 HydrophobicContact CD2-CG2 4.18Å; L350-L526 HydrophobicContact CD2-CB 4.21Å; L350-L526 HydrophobicContact CD2-CD1 3.99Å; L350-I527 VanDerWaalsContact O-CB 3.31Å; L350-I527 WeakPolarHBondContact O-CB 3.36Å; L350-I527 PolarHBondContact O-N 3.43Å
351L96.9Very high95.2Very high27 Ų2740.3 Ų40.314%0.14123%0.228CC..Hα-helixtrans-128.411.8-167.2-54.2172.3000113.6K347 S353 S356 F358 I527K347-L351 CarbonylContact O-C 3.48Å; K347-L351 WeakPolarHBondContact O-CA 3.26Å; K347-L351 WeakPolarHBondContact O-CB 3.25Å; K347-L351 PolarHBondContact O-N 2.88Å; L351-S353 PolarHBondContact O-N 3.46Å; L351-S356 VanDerWaalsContact CB-CB 3.45Å; L351-S356 WeakPolarHBondContact O-CB 3.41Å; L351-S356 PolarHBondContact O-OG 3.49Å; L351-F358 HydrophobicContact CD1-CD1 4.23Å; L351-F358 HydrophobicContact CD1-CD2 4.01Å; L351-F358 HydrophobicContact CD1-CE1 4.22Å; L351-F358 HydrophobicContact CD1-CE2 4.01Å; L351-F358 HydrophobicContact CD1-CG 4.13Å; L351-F358 HydrophobicContact CD1-CZ 4.1Å; L351-F358 HydrophobicContact CD2-CD1 3.95Å; L351-F358 HydrophobicContact CD2-CE1 4Å; L351-F358 HydrophobicContact CG-CE1 4.27Å; L351-F358 HydrophobicContact CG-CZ 4.42Å; L351-I527 HydrophobicContact CD2-CB 4.24Å; L351-I527 HydrophobicContact CD2-CD1 3.98Å
352G95.7Very high95.4Very high43 Ų4332.7 Ų32.744%0.44320%0.199SC..SBendtrans73.7-9.2176.900000115.6K347 T348K347-G352 PolarHBondContact O-N 3.03Å; T348-G352 WeakPolarHBondContact O-CA 3.37Å; T348-G352 PolarHBondContact O-N 3.39Å
353S94.1Very high95.5Very high43 Ų4332.1 Ų32.130%0.30119%0.194SC..SBendtrans-163.2143.5-179.8-171.80000113.1L351 L355 S356L351-S353 PolarHBondContact O-N 3.46Å; S353-L355 PolarHBondContact O-N 3.33Å; S353-L355 VanDerWaalsContact O-N 3.14Å; S353-L355 PolarHBondContact OG-N 3.2Å; S353-S356 VanDerWaalsContact O-CB 3.32Å; S353-S356 WeakPolarHBondContact O-CB 3.39Å; S353-S356 PolarHBondContact O-N 3.39Å
354G91.4Very high95.4Very high4 Ų435.8 Ų35.84%0.04121%0.214CC..THydrogen-bonded Turntrans-57.2-20165.700000114.6K347 H460 Y461 R462K347-G354 WeakPolarHBondContact CD-O 3.43Å; G354-H460 CarbonylContact C-O 3.58Å; G354-Y461 WeakPolarHBondContact O-CA 3.26Å; G354-R462 PolarHBondContact O-N 2.99Å
355L92.8Very high95.5Very high89 Ų8933.2 Ų33.247%0.46620%0.201SC..THydrogen-bonded Turntrans-86.6-11.8176.3-63.7177.6000114S353 H460 R462S353-L355 PolarHBondContact O-N 3.33Å; S353-L355 VanDerWaalsContact O-N 3.14Å; S353-L355 PolarHBondContact OG-N 3.2Å; L355-H460 HydrophobicContact CD2-CB 4.43Å; L355-R462 WeakPolarHBondContact O-CB 3.46Å; L355-R462 WeakPolarHBondContact O-CD 3.46Å; L355-R462 PolarHBondContact O-NE 2.88Å
356S93.1Very high95.6Very high38 Ų3831.8 Ų31.827%0.26620%0.195SC..  trans-72.5160.8178.9-63.50000112.5K347 L351 S353K347-S356 PolarHBondContact NZ-O 3.32Å; L351-S356 VanDerWaalsContact CB-CB 3.45Å; L351-S356 WeakPolarHBondContact O-CB 3.41Å; L351-S356 PolarHBondContact O-OG 3.49Å; S353-S356 VanDerWaalsContact O-CB 3.32Å; S353-S356 WeakPolarHBondContact O-CB 3.39Å; S353-S356 PolarHBondContact O-N 3.39Å
357C93.9Very high95.6Very high54 Ų5431.8 Ų31.837%0.36520%0.195SC..  trans-125.5148.7177.2-83.10000110.5R462 E464C357-R462 WeakPolarHBondContact SG-CD 3.38Å; C357-E464 VanDerWaalsContact CA-OE1 3.31Å; C357-E464 WeakPolarHBondContact CA-OE1 3.43Å; C357-E464 WeakPolarHBondContact CB-OE1 3.4Å; C357-E464 PolarHBondContact SG-OE1 3.39Å
358F95.7Very high95.6Very high5 Ų532.9 Ų32.92%0.02220%0.202CC..  trans-68.7145164.3-66.6-84.7000110L350 L351 W362 K363 E464 L466 F467 I500 I527L350-F358 HydrophobicContact CD1-CZ 4.05Å; L351-F358 HydrophobicContact CD1-CD1 4.23Å; L351-F358 HydrophobicContact CD1-CD2 4.01Å; L351-F358 HydrophobicContact CD1-CE1 4.22Å; L351-F358 HydrophobicContact CD1-CE2 4.01Å; L351-F358 HydrophobicContact CD1-CG 4.13Å; L351-F358 HydrophobicContact CD1-CZ 4.1Å; L351-F358 HydrophobicContact CD2-CD1 3.95Å; L351-F358 HydrophobicContact CD2-CE1 4Å; L351-F358 HydrophobicContact CG-CE1 4.27Å; L351-F358 HydrophobicContact CG-CZ 4.42Å; F358-W362 HydrophobicContact CB-CB 4.28Å; F358-W362 HydrophobicContact CD1-CB 4.37Å; F358-K363 HydrophobicContact CB-CG 4.1Å; F358-K363 VanDerWaalsContact O-CE 3.31Å; F358-K363 WeakPolarHBondContact O-CE 3.49Å; F358-K363 PolarHBondContact O-NZ 3.46Å; F358-E464 PolarHBondContact N-OE1 3.34Å; F358-L466 HydrophobicContact CD2-CD2 3.87Å; F358-L466 HydrophobicContact CE2-CD2 3.94Å; F358-F467 AromaticContact CE2-CE2 3.69Å; F358-F467 HydrophobicContact CE2-CE2 3.69Å; F358-F467 AromaticContact CE2-CZ 3.88Å; F358-F467 HydrophobicContact CE2-CZ 3.88Å; F358-F467 HydrophobicContact CZ-CE2 4.32Å; F358-F467 HydrophobicContact CZ-CZ 4.08Å; F358-I500 HydrophobicContact CB-CD1 3.93Å; F358-I500 HydrophobicContact CD1-CD1 3.72Å; F358-I500 HydrophobicContact CD1-CG1 3.87Å; F358-I500 HydrophobicContact CD1-CG2 4.39Å; F358-I500 HydrophobicContact CD2-CD1 3.99Å; F358-I500 HydrophobicContact CD2-CG2 4.45Å; F358-I500 HydrophobicContact CE1-CB 4.49Å; F358-I500 HydrophobicContact CE1-CD1 4.19Å; F358-I500 HydrophobicContact CE1-CG1 3.96Å; F358-I500 HydrophobicContact CE1-CG2 3.75Å; F358-I500 HydrophobicContact CE2-CD1 4.41Å; F358-I500 HydrophobicContact CE2-CG2 3.81Å; F358-I500 HydrophobicContact CG-CD1 3.61Å; F358-I500 HydrophobicContact CG-CG1 4.28Å; F358-I500 HydrophobicContact CZ-CG1 4.42Å; F358-I500 HydrophobicContact CZ-CG2 3.43Å; F358-I500 VanDerWaalsContact CZ-CG2 3.43Å; F358-I527 HydrophobicContact CD1-CD1 4.07Å; F358-I527 HydrophobicContact CE1-CD1 3.7Å
359S95.1Very high95.7Very high39 Ų3931 Ų3127%0.27319%0.189SC..  trans-71.8167.417587.70000111.5E361 W362 K363S359-E361 WeakPolarHBondContact CB-OE2 3.42Å; S359-E361 PolarHBondContact O-N 2.81Å; S359-E361 WeakPolarHBondContact OG-CB 3.22Å; S359-E361 PolarHBondContact OG-N 3.07Å; S359-E361 PolarHBondContact OG-OE2 2.68Å; S359-W362 PolarHBondContact O-N 3.25Å; S359-K363 VanDerWaalsContact O-CG 3.3Å; S359-K363 WeakPolarHBondContact O-CG 3.49Å; S359-K363 PolarHBondContact O-N 2.68Å; S359-K363 VanDerWaalsContact O-N 3.1Å
360T94.6Very high95.5Very high82 Ų8231.4 Ų31.450%0.50319%0.192SC..Hα-helixtrans-62.6-31.8179.2-56.70000111.7K363 N364T360-K363 PolarHBondContact O-N 3.3Å; T360-N364 WeakPolarHBondContact CG2-ND2 3.31Å; T360-N364 WeakPolarHBondContact O-CB 3.43Å; T360-N364 PolarHBondContact O-N 3.43Å
361E94.8Very high95.2Very high47 Ų4738.8 Ų38.822%0.2223%0.232CC..Hα-helixtrans-61.3-53.3178.8-59.347-119.700109.4S359 K363 N364 Q365 K383 G384S359-E361 WeakPolarHBondContact CB-OE2 3.42Å; S359-E361 PolarHBondContact O-N 2.81Å; S359-E361 WeakPolarHBondContact OG-CB 3.22Å; S359-E361 PolarHBondContact OG-N 3.07Å; S359-E361 PolarHBondContact OG-OE2 2.68Å; E361-K363 PolarHBondContact O-N 3.48Å; E361-N364 PolarHBondContact O-N 3.38Å; E361-Q365 WeakPolarHBondContact O-CB 3.23Å; E361-Q365 PolarHBondContact O-N 3.4Å; E361-K383 HydrophobicContact CB-CB 4.2Å; E361-K383 HydrophobicContact CG-CB 3.73Å; E361-K383 HydrophobicContact CG-CD 3.61Å; E361-K383 HydrophobicContact CG-CG 4.36Å; E361-K383 WeakPolarHBondContact OE1-CD 3.41Å; E361-K383 IonicContact OE1-NZ 2.67Å; E361-K383 PolarHBondContact OE1-NZ 3.32Å; E361-G384 WeakPolarHBondContact CG-O 3.49Å
362W97.1Very high95Very high2 Ų239.1 Ų39.11%0.00824%0.235CC..Hα-helixtrans-64.9-36.4175.7-8182.9000113.6F358 S359 N364 P386 V389 C499 I500 V503 I527 G531 L537F358-W362 HydrophobicContact CB-CB 4.28Å; F358-W362 HydrophobicContact CD1-CB 4.37Å; S359-W362 PolarHBondContact O-N 3.25Å; W362-N364 VanDerWaalsContact C-N 3.33Å; W362-N364 PolarHBondContact O-N 2.9Å; W362-P386 HydrophobicContact CD2-CB 4.03Å; W362-P386 HydrophobicContact CE3-CB 4.24Å; W362-P386 HydrophobicContact CH2-CB 4.29Å; W362-P386 HydrophobicContact CZ2-CB 4.06Å; W362-P386 HydrophobicContact CZ3-CB 4.37Å; W362-V389 HydrophobicContact CH2-CG2 3.61Å; W362-V389 HydrophobicContact CZ3-CG2 3.99Å; W362-C499 HydrophobicContact CE3-CB 4.33Å; W362-C499 HydrophobicContact CZ3-CB 4.4Å; W362-I500 HydrophobicContact CB-CD1 4.15Å; W362-I500 HydrophobicContact CB-CG1 4.31Å; W362-I500 HydrophobicContact CE3-CG1 3.93Å; W362-V503 HydrophobicContact CZ3-CG2 4.15Å; W362-I527 HydrophobicContact CD2-CD1 4.04Å; W362-I527 HydrophobicContact CE3-CD1 4Å; W362-I527 HydrophobicContact CH2-CD1 3.67Å; W362-I527 HydrophobicContact CH2-CG1 3.85Å; W362-I527 HydrophobicContact CZ2-CD1 3.72Å; W362-I527 HydrophobicContact CZ2-CG1 3.78Å; W362-I527 HydrophobicContact CZ2-CG2 3.98Å; W362-I527 HydrophobicContact CZ3-CD1 3.82Å; W362-I527 HydrophobicContact CZ3-CG1 4.47Å; W362-G531 PolarHBondContact NE1-O 3.01Å; W362-L537 HydrophobicContact CH2-CD2 4.01Å
363K96Very high94.5Very high49 Ų4941.6 Ų41.621%0.21324%0.243CC..Hα-helixtrans-69.3-30.5-179.8-73.3170.5167.7145.90113.2F358 S359 T360 E361 E464 F497 I500F358-K363 HydrophobicContact CB-CG 4.1Å; F358-K363 VanDerWaalsContact O-CE 3.31Å; F358-K363 WeakPolarHBondContact O-CE 3.49Å; F358-K363 PolarHBondContact O-NZ 3.46Å; S359-K363 VanDerWaalsContact O-CG 3.3Å; S359-K363 WeakPolarHBondContact O-CG 3.49Å; S359-K363 PolarHBondContact O-N 2.68Å; S359-K363 VanDerWaalsContact O-N 3.1Å; T360-K363 PolarHBondContact O-N 3.3Å; E361-K363 PolarHBondContact O-N 3.48Å; K363-E464 WeakPolarHBondContact CE-OE1 3.42Å; K363-E464 IonicContact NZ-OE1 3.53Å; K363-E464 PolarHBondContact NZ-OE1 2.91Å; K363-F497 HydrophobicContact CB-CD1 4.04Å; K363-F497 HydrophobicContact CB-CE1 3.96Å; K363-F497 HydrophobicContact CD-CE1 4.44Å; K363-F497 HydrophobicContact CG-CD1 3.94Å; K363-F497 HydrophobicContact CG-CE1 3.81Å; K363-F497 PolarHBondContact O-N 3.3Å; K363-I500 HydrophobicContact CG-CD1 4.45Å
364N95.2Very high94.2Very high78 Ų7842.5 Ų42.542%0.41724%0.244SC..THydrogen-bonded Turntrans-103.111.7-174.8-63.9-10.4000113.4T360 E361 W362T360-N364 WeakPolarHBondContact CG2-ND2 3.31Å; T360-N364 WeakPolarHBondContact O-CB 3.43Å; T360-N364 PolarHBondContact O-N 3.43Å; E361-N364 PolarHBondContact O-N 3.38Å; W362-N364 VanDerWaalsContact C-N 3.33Å; W362-N364 PolarHBondContact O-N 2.9Å
365Q96.9Very high94.4Very high1 Ų142.3 Ų42.31%0.00524%0.242CC..  trans-110.1114.5-178.4-171.368.254.600112E361 V380 P386 L390 G498 C499E361-Q365 WeakPolarHBondContact O-CB 3.23Å; E361-Q365 PolarHBondContact O-N 3.4Å; Q365-V380 PolarHBondContact NE2-O 2.8Å; Q365-P386 HydrophobicContact CB-CG 4.17Å; Q365-P386 HydrophobicContact CG-CG 3.92Å; Q365-L390 HydrophobicContact CG-CD1 3.91Å; Q365-L390 HydrophobicContact CG-CD2 4.01Å; Q365-L390 HydrophobicContact CG-CG 4.38Å; Q365-G498 PolarHBondContact O-N 3.24Å; Q365-C499 PolarHBondContact O-N 2.9Å
366G97.3Very high94.4Very high3 Ų338 Ų383%0.03122%0.22CC..  trans-105.2-158.716100000111.1Y492G366-Y492 CarbonylContact C-O 3.56Å; G366-Y492 WeakPolarHBondContact CA-O 3.45Å
367F98.1Very high94.5Very high0 Ų036.2 Ų36.20%021%0.208CC..  trans-105.448.9176.4-55.5-77.5000111.9F369 I379 V389 L390 I393 L427 L431 Y492 E493 L502F367-F369 PolarHBondContact O-N 2.98Å; F367-I379 HydrophobicContact CB-CD1 4.38Å; F367-I379 HydrophobicContact CB-CG2 4.31Å; F367-I379 HydrophobicContact CD1-CD1 4.29Å; F367-I379 HydrophobicContact CD1-CG2 4.35Å; F367-V389 HydrophobicContact CE1-CG1 4.29Å; F367-V389 HydrophobicContact CZ-CG1 4.18Å; F367-L390 HydrophobicContact CD1-CD2 3.8Å; F367-L390 HydrophobicContact CE1-CD2 3.84Å; F367-I393 HydrophobicContact CD1-CB 4.18Å; F367-I393 HydrophobicContact CD1-CG1 4.49Å; F367-I393 HydrophobicContact CD1-CG2 3.89Å; F367-I393 HydrophobicContact CE1-CB 3.91Å; F367-I393 HydrophobicContact CE1-CG1 3.8Å; F367-I393 HydrophobicContact CE1-CG2 4.05Å; F367-I393 HydrophobicContact CZ-CG1 4.18Å; F367-L427 HydrophobicContact CB-CD1 3.93Å; F367-L427 HydrophobicContact CB-CD2 3.87Å; F367-L427 HydrophobicContact CG-CD1 4.19Å; F367-L431 HydrophobicContact CD2-CD2 4.45Å; F367-L431 HydrophobicContact CE2-CD2 4.13Å; F367-L431 HydrophobicContact CZ-CD2 4.43Å; F367-Y492 VanDerWaalsContact CD2-O 3.26Å; F367-Y492 WeakPolarHBondContact CD2-O 3.31Å; F367-Y492 HydrophobicContact CE2-CD1 4.31Å; F367-Y492 PolarHBondContact N-O 2.96Å; F367-E493 CarbonylContact C-O 3.42Å; F367-E493 PolarHBondContact N-O 3.16Å; F367-L502 HydrophobicContact CE1-CD2 4.27Å; F367-L502 HydrophobicContact CE2-CB 4.19Å; F367-L502 HydrophobicContact CE2-CD2 4.24Å; F367-L502 HydrophobicContact CZ-CB 4.1Å; F367-L502 HydrophobicContact CZ-CD2 3.53Å; F367-L502 HydrophobicContact CZ-CG 4.47Å
368T96.9Very high94.7Very high23 Ų2333.7 Ų33.714%0.14119%0.19CC..PPolyproline II helixtrans-69.5127.2176.748.40000111.1V380 R382 E493 M494T368-V380 PolarHBondContact O-N 2.77Å; T368-R382 PolarHBondContact OG1-NH2 3.47Å; T368-E493 WeakPolarHBondContact CG2-O 3.2Å; T368-E493 PolarHBondContact N-O 3.5Å; T368-E493 VanDerWaalsContact N-O 3.14Å; T368-M494 HydrophobicContact CG2-CG 4.44Å
369F96.9Very high94.8Very high18 Ų1833.6 Ų33.68%0.07919%0.19CC..BIsolated β-bridgetrans-78.3164.4176.4-66.7-86.7000112.9F367 G378 I379 F397 R423 L427F367-F369 PolarHBondContact O-N 2.98Å; F369-G378 CarbonylContact C-O 3.59Å; F369-G378 VanDerWaalsContact CA-O 3.24Å; F369-G378 WeakPolarHBondContact CA-O 3.28Å; F369-I379 HydrophobicContact CD1-CG1 3.85Å; F369-I379 HydrophobicContact CE1-CD1 4.17Å; F369-I379 HydrophobicContact CE1-CG1 3.49Å; F369-I379 VanDerWaalsContact CE1-CG1 3.49Å; F369-I379 HydrophobicContact CZ-CD1 4.29Å; F369-I379 HydrophobicContact CZ-CG1 3.92Å; F369-F397 HydrophobicContact CD1-CZ 4.31Å; F369-F397 HydrophobicContact CE1-CD1 4Å; F369-F397 AromaticContact CE1-CD2 3.87Å; F369-F397 HydrophobicContact CE1-CD2 3.87Å; F369-F397 AromaticContact CE1-CE1 3.68Å; F369-F397 HydrophobicContact CE1-CE1 3.68Å; F369-F397 AromaticContact CE1-CE2 3.51Å; F369-F397 HydrophobicContact CE1-CE2 3.51Å; F369-F397 HydrophobicContact CE1-CG 4.1Å; F369-F397 AromaticContact CE1-CZ 3.41Å; F369-F397 HydrophobicContact CE1-CZ 3.41Å; F369-F397 VanDerWaalsContact CE1-CZ 3.41Å; F369-F397 HydrophobicContact CE2-CE2 4.43Å; F369-F397 AromaticContact CZ-CD2 3.65Å; F369-F397 HydrophobicContact CZ-CD2 3.65Å; F369-F397 HydrophobicContact CZ-CE1 4.39Å; F369-F397 AromaticContact CZ-CE2 3.35Å; F369-F397 HydrophobicContact CZ-CE2 3.35Å; F369-F397 HydrophobicContact CZ-CG 4.27Å; F369-F397 AromaticContact CZ-CZ 3.78Å; F369-F397 HydrophobicContact CZ-CZ 3.78Å; F369-R423 HydrophobicContact CD1-CG 4.49Å; F369-R423 HydrophobicContact CD2-CB 4Å; F369-R423 HydrophobicContact CD2-CG 4.45Å; F369-R423 HydrophobicContact CE2-CB 3.92Å; F369-R423 HydrophobicContact CG-CB 4.4Å; F369-R423 HydrophobicContact CG-CG 4.37Å; F369-R423 HydrophobicContact CZ-CB 4.25Å; F369-L427 HydrophobicContact CE2-CB 4.37Å; F369-L427 HydrophobicContact CE2-CD2 4.15Å; F369-L427 HydrophobicContact CZ-CB 4.27Å
370S95.3Very high94.9Very high14 Ų1433.9 Ų33.910%0.09819%0.19CC..PPolyproline II helixtrans-74.8143173.5-167.40000112.3T372 L375 G378 R423S370-T372 PolarHBondContact OG-N 3.24Å; S370-T372 PolarHBondContact OG-OG1 3.23Å; S370-L375 WeakPolarHBondContact CB-O 3.2Å; S370-G378 PolarHBondContact N-O 3.2Å; S370-R423 PolarHBondContact O-NH1 3.13Å
371D91.6Very high95Very high156 Ų15630.3 Ų30.383%0.83417%0.168SC*.  trans-86.8-9.5171.5-64.1-51.3000112.5
372T91.8Very high94.9Very high33 Ų3335.5 Ų35.520%0.20219%0.185CC..SBendtrans-60.5125.2172.8-55.60000110.1S370 D374 L375 G376 Q642S370-T372 PolarHBondContact OG-N 3.24Å; S370-T372 PolarHBondContact OG-OG1 3.23Å; T372-D374 VanDerWaalsContact C-N 3.34Å; T372-D374 PolarHBondContact O-N 3.05Å; T372-L375 HydrophobicContact CG2-CB 4.31Å; T372-L375 HydrophobicContact CG2-CD1 4.2Å; T372-L375 HydrophobicContact CG2-CG 4.27Å; T372-L375 CarbonylContact O-C 3.49Å; T372-L375 PolarHBondContact O-N 2.81Å; T372-L375 VanDerWaalsContact O-N 3.09Å; T372-G376 PolarHBondContact O-N 3.14Å; T372-Q642 WeakPolarHBondContact CG2-O 3.42Å
373P84.9Confident94.7Very high96 Ų9640.8 Ų40.862%0.62321%0.208SC*.G310 helixtrans-54.5-43.2-169.8-30.536.2000115.1
374D89Confident94.5Very high61 Ų6140.2 Ų40.233%0.32622%0.216SC..G310 helixtrans-85.4-13.2-176.8-64.5-55.8000113.9T372 Y377 R417T372-D374 VanDerWaalsContact C-N 3.34Å; T372-D374 PolarHBondContact O-N 3.05Å; D374-Y377 WeakPolarHBondContact O-CE1 3.26Å; D374-R417 IonicContact OD1-CZ 3.99Å; D374-R417 IonicContact OD1-NE 2.75Å; D374-R417 PolarHBondContact OD1-NE 3.01Å; D374-R417 IonicContact OD1-NH2 3.47Å; D374-R417 PolarHBondContact OD1-NH2 2.88Å
375L94.6Very high94.4Very high0 Ų036.5 Ų36.50%020%0.197CC..G310 helixtrans-11121.5178.4-58.3174.3000112S370 T372 Y377 G378 Y635 Q641 E644S370-L375 WeakPolarHBondContact CB-O 3.2Å; T372-L375 HydrophobicContact CG2-CB 4.31Å; T372-L375 HydrophobicContact CG2-CD1 4.2Å; T372-L375 HydrophobicContact CG2-CG 4.27Å; T372-L375 CarbonylContact O-C 3.49Å; T372-L375 PolarHBondContact O-N 2.81Å; T372-L375 VanDerWaalsContact O-N 3.09Å; L375-Y377 HydrophobicContact CD2-CE1 4.05Å; L375-Y377 PolarHBondContact O-N 3.34Å; L375-G378 PolarHBondContact O-N 2.96Å; L375-Y635 HydrophobicContact CB-CE2 4.38Å; L375-Y635 HydrophobicContact CD2-CD2 4.27Å; L375-Y635 HydrophobicContact CD2-CE2 4.48Å; L375-Q641 HydrophobicContact CD1-CB 4Å; L375-Q641 HydrophobicContact CD1-CG 3.8Å; L375-Q641 WeakPolarHBondContact CD1-O 3.39Å; L375-E644 HydrophobicContact CD2-CB 4.4Å
376G94.3Very high94.4Very high0 Ų036.5 Ų36.50%020%0.197CC..THydrogen-bonded Turntrans-60.9-17-179.600000114.5T372 G378 R423T372-G376 PolarHBondContact O-N 3.14Å; G376-G378 VanDerWaalsContact C-N 3.33Å; G376-R423 VanDerWaalsContact CA-NH2 3.32Å; G376-R423 WeakPolarHBondContact O-CD 3.25Å; G376-R423 PolarHBondContact O-NE 2.91Å; G376-R423 VanDerWaalsContact O-NE 3.08Å; G376-R423 PolarHBondContact O-NH1 2.64Å
377Y95.4Very high94.4Very high0 Ų036.4 Ų36.40%020%0.196CC..THydrogen-bonded Turntrans-77.1-13.417166.9-97.7000114.1D374 L375 Q394 F397 L398 L416 F614 Y635D374-Y377 WeakPolarHBondContact O-CE1 3.26Å; L375-Y377 HydrophobicContact CD2-CE1 4.05Å; L375-Y377 PolarHBondContact O-N 3.34Å; Y377-Q394 PolarHBondContact O-NE2 2.7Å; Y377-Q394 PolarHBondContact O-OE1 2.7Å; Y377-F397 WeakPolarHBondContact O-CD1 3.42Å; Y377-F397 WeakPolarHBondContact O-CE1 3.43Å; Y377-L398 HydrophobicContact CD2-CD2 3.82Å; Y377-L398 HydrophobicContact CE2-CD2 4.49Å; Y377-L398 HydrophobicContact CG-CD2 4.32Å; Y377-L416 HydrophobicContact CD1-CB 3.88Å; Y377-L416 HydrophobicContact CD1-CD2 3.96Å; Y377-L416 HydrophobicContact CD1-CG 4.48Å; Y377-L416 WeakPolarHBondContact CD1-O 3.19Å; Y377-L416 HydrophobicContact CE1-CB 4.25Å; Y377-L416 HydrophobicContact CE1-CD2 4.25Å; Y377-L416 HydrophobicContact CG-CD2 4.25Å; Y377-F614 HydrophobicContact CD2-CZ 4.36Å; Y377-F614 AromaticContact CE2-CE1 3.91Å; Y377-F614 HydrophobicContact CE2-CE1 3.91Å; Y377-F614 AromaticContact CE2-CZ 3.7Å; Y377-F614 HydrophobicContact CE2-CZ 3.7Å; Y377-F614 AromaticContact CZ-CZ 3.89Å; Y377-Y635 HydrophobicContact CE2-CD2 4.01Å; Y377-Y635 AromaticContact CE2-CG 3.95Å; Y377-Y635 HydrophobicContact CE2-CG 3.95Å
378G97.5Very high94.3Very high0 Ų036.4 Ų36.40%020%0.196CC..PPolyproline II helixtrans-94.9131.6-168.400000114.6F369 S370 L375 G376 Y635F369-G378 CarbonylContact C-O 3.59Å; F369-G378 VanDerWaalsContact CA-O 3.24Å; F369-G378 WeakPolarHBondContact CA-O 3.28Å; S370-G378 PolarHBondContact N-O 3.2Å; L375-G378 PolarHBondContact O-N 2.96Å; G376-G378 VanDerWaalsContact C-N 3.33Å; G378-Y635 VanDerWaalsContact CA-CE1 3.45Å
379I98Very high94.4Very high4 Ų435.3 Ų35.32%0.02119%0.189CC..BIsolated β-bridgetrans-84.5121.9173.7-63.8165.5000110.3F367 F369 L390 I393 Q394 Y635 G637F367-I379 HydrophobicContact CB-CD1 4.38Å; F367-I379 HydrophobicContact CB-CG2 4.31Å; F367-I379 HydrophobicContact CD1-CD1 4.29Å; F367-I379 HydrophobicContact CD1-CG2 4.35Å; F369-I379 HydrophobicContact CD1-CG1 3.85Å; F369-I379 HydrophobicContact CE1-CD1 4.17Å; F369-I379 HydrophobicContact CE1-CG1 3.49Å; F369-I379 VanDerWaalsContact CE1-CG1 3.49Å; F369-I379 HydrophobicContact CZ-CD1 4.29Å; F369-I379 HydrophobicContact CZ-CG1 3.92Å; I379-L390 HydrophobicContact CG2-CD2 3.9Å; I379-I393 HydrophobicContact CD1-CG2 3.92Å; I379-Q394 HydrophobicContact CD1-CB 4.49Å; I379-Q394 VanDerWaalsContact CG1-OE1 3.28Å; I379-Y635 PolarHBondContact O-OH 2.82Å; I379-G637 WeakPolarHBondContact O-CA 3.31Å
380V97Very high94.5Very high44 Ų4434.8 Ų34.827%0.26719%0.187SC..PPolyproline II helixtrans-80.5126.5-176.5177.50000111.7Q365 T368Q365-V380 PolarHBondContact NE2-O 2.8Å; T368-V380 PolarHBondContact O-N 2.77Å
381Q96Very high94.7Very high8 Ų834.4 Ų34.44%0.03718%0.184CC..PPolyproline II helixtrans-96.9120.7171.6-176.1174.2-18.400110.2K383 C387 L390 G637 L638Q381-K383 WeakPolarHBondContact CG-O 3.47Å; Q381-K383 PolarHBondContact NE2-O 3.2Å; Q381-C387 VanDerWaalsContact OE1-CA 3.29Å; Q381-C387 VanDerWaalsContact OE1-CB 3.22Å; Q381-L390 HydrophobicContact CB-CD1 3.47Å; Q381-L390 VanDerWaalsContact CB-CD1 3.47Å; Q381-L390 HydrophobicContact CG-CD1 3.43Å; Q381-L390 VanDerWaalsContact CG-CD1 3.43Å; Q381-G637 PolarHBondContact N-O 2.82Å; Q381-L638 HydrophobicContact CB-CB 4.08Å; Q381-L638 HydrophobicContact CB-CD1 4.5Å; Q381-L638 HydrophobicContact CG-CB 4.23Å; Q381-L638 HydrophobicContact CG-CD1 4.08Å
382R92.5Very high95Very high155 Ų15527 Ų2759%0.58515%0.145SC*.  trans-78.3-26.7-173.6-61.2177.4-173.8-113.6-7.9113.5T368T368-R382 PolarHBondContact OG1-NH2 3.47Å
383K93.4Very high95.3Very high113 Ų11325.4 Ų25.449%0.49114%0.135SC..SBendtrans-162.3160.7-177.9-70.3-168.8174.5-1680111.1E361 Q381E361-K383 HydrophobicContact CB-CB 4.2Å; E361-K383 HydrophobicContact CG-CB 3.73Å; E361-K383 HydrophobicContact CG-CD 3.61Å; E361-K383 HydrophobicContact CG-CG 4.36Å; E361-K383 WeakPolarHBondContact OE1-CD 3.41Å; E361-K383 IonicContact OE1-NZ 2.67Å; E361-K383 PolarHBondContact OE1-NZ 3.32Å; Q381-K383 WeakPolarHBondContact CG-O 3.47Å; Q381-K383 PolarHBondContact NE2-O 3.2Å
384G91.8Very high96Very high37 Ų3721 Ų2138%0.38111%0.106SC..SBendtrans-55.9156.2173.400000114.6E361E361-G384 WeakPolarHBondContact CG-O 3.49Å
385G92.9Very high96.5Very high1 Ų118.1 Ų18.11%0.019%0.091CC..SBendtrans122.9-78.3179.700000113.4C387 G531 C533G385-C387 PolarHBondContact O-N 2.83Å; G385-G531 CarbonylContact C-O 3.48Å; G385-G531 VanDerWaalsContact C-O 3.29Å; G385-G531 WeakPolarHBondContact CA-O 3.41Å; G385-C533 PolarHBondContact O-N 3.33Å
386P96.6Very high96.7Very high0 Ų018.1 Ų18.10%09%0.091CC..THydrogen-bonded Turntrans-75.112.8-174.531.4-36.6000115.3W362 Q365 G388 V389 L390W362-P386 HydrophobicContact CD2-CB 4.03Å; W362-P386 HydrophobicContact CE3-CB 4.24Å; W362-P386 HydrophobicContact CH2-CB 4.29Å; W362-P386 HydrophobicContact CZ2-CB 4.06Å; W362-P386 HydrophobicContact CZ3-CB 4.37Å; Q365-P386 HydrophobicContact CB-CG 4.17Å; Q365-P386 HydrophobicContact CG-CG 3.92Å; P386-G388 VanDerWaalsContact C-N 3.32Å; P386-G388 PolarHBondContact O-N 3.33Å; P386-V389 WeakPolarHBondContact O-CB 3.34Å; P386-V389 PolarHBondContact O-N 2.8Å; P386-L390 HydrophobicContact CG-CD1 4.37Å; P386-L390 PolarHBondContact O-N 3.46Å; P386-L390 VanDerWaalsContact O-N 3.13Å
387C97Very high96.9Very high2 Ų218.1 Ų18.11%0.0149%0.091CC..Hα-helixtrans-51.5-44.9-175.742.60000113.3Q381 G385 V389 L390 A391 H609 F610Q381-C387 VanDerWaalsContact OE1-CA 3.29Å; Q381-C387 VanDerWaalsContact OE1-CB 3.22Å; G385-C387 PolarHBondContact O-N 2.83Å; C387-V389 PolarHBondContact O-N 2.7Å; C387-L390 PolarHBondContact O-N 3.29Å; C387-L390 VanDerWaalsContact O-N 3.14Å; C387-A391 WeakPolarHBondContact O-CB 3.36Å; C387-A391 PolarHBondContact O-N 2.71Å; C387-H609 VanDerWaalsContact CB-ND1 3.28Å; C387-H609 WeakPolarHBondContact CB-ND1 3.38Å; C387-F610 HydrophobicContact CB-CB 4.15Å
388G97.8Very high97Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-61.6-29.9178.800000114P386 S392 C533P386-G388 VanDerWaalsContact C-N 3.32Å; P386-G388 PolarHBondContact O-N 3.33Å; G388-S392 WeakPolarHBondContact O-CB 3.37Å; G388-S392 PolarHBondContact O-N 3.03Å; G388-S392 PolarHBondContact O-OG 3.43Å; G388-C533 PolarHBondContact N-SG 2.95Å
389V98.6Very high96.9Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-74.5-45.8174.2-178.30000110.2W362 F367 P386 C387 S392 I393 C499 L502 V503 L537 L541W362-V389 HydrophobicContact CH2-CG2 3.61Å; W362-V389 HydrophobicContact CZ3-CG2 3.99Å; F367-V389 HydrophobicContact CE1-CG1 4.29Å; F367-V389 HydrophobicContact CZ-CG1 4.18Å; P386-V389 WeakPolarHBondContact O-CB 3.34Å; P386-V389 PolarHBondContact O-N 2.8Å; C387-V389 PolarHBondContact O-N 2.7Å; V389-S392 PolarHBondContact O-N 2.87Å; V389-I393 PolarHBondContact O-N 2.84Å; V389-C499 HydrophobicContact CG1-CB 4.39Å; V389-L502 HydrophobicContact CG1-CD2 3.8Å; V389-V503 HydrophobicContact CG1-CG2 4.12Å; V389-V503 HydrophobicContact CG2-CG2 3.63Å; V389-L537 HydrophobicContact CG2-CD2 4.2Å; V389-L541 HydrophobicContact CB-CD1 4.16Å; V389-L541 HydrophobicContact CG1-CD1 4Å; V389-L541 HydrophobicContact CG2-CD1 4.06Å
390L98.6Very high96.9Very high7 Ų718.9 Ų18.94%0.0379%0.094CC..Hα-helixtrans-64.9-46.7-178.8-64.1173.1000111.7Q365 F367 I379 Q381 P386 C387 S392 I393 Q394 C499Q365-L390 HydrophobicContact CG-CD1 3.91Å; Q365-L390 HydrophobicContact CG-CD2 4.01Å; Q365-L390 HydrophobicContact CG-CG 4.38Å; F367-L390 HydrophobicContact CD1-CD2 3.8Å; F367-L390 HydrophobicContact CE1-CD2 3.84Å; I379-L390 HydrophobicContact CG2-CD2 3.9Å; Q381-L390 HydrophobicContact CB-CD1 3.47Å; Q381-L390 VanDerWaalsContact CB-CD1 3.47Å; Q381-L390 HydrophobicContact CG-CD1 3.43Å; Q381-L390 VanDerWaalsContact CG-CD1 3.43Å; P386-L390 HydrophobicContact CG-CD1 4.37Å; P386-L390 PolarHBondContact O-N 3.46Å; P386-L390 VanDerWaalsContact O-N 3.13Å; C387-L390 PolarHBondContact O-N 3.29Å; C387-L390 VanDerWaalsContact O-N 3.14Å; L390-S392 PolarHBondContact O-N 2.97Å; L390-I393 PolarHBondContact O-N 3.41Å; L390-Q394 VanDerWaalsContact O-CB 3.22Å; L390-Q394 WeakPolarHBondContact O-CB 3.46Å; L390-Q394 PolarHBondContact O-N 3.2Å; L390-C499 VanDerWaalsContact CD2-SG 3.56Å
391A98.7Very high96.7Very high5 Ų517 Ų174%0.0418%0.082CC..Hα-helixtrans-63-40.1176.800000112.2C387 Q394 A395 V603 F610 V612C387-A391 WeakPolarHBondContact O-CB 3.36Å; C387-A391 PolarHBondContact O-N 2.71Å; A391-Q394 PolarHBondContact O-N 2.76Å; A391-A395 WeakPolarHBondContact O-CB 3.28Å; A391-A395 PolarHBondContact O-N 3.22Å; A391-V603 HydrophobicContact CB-CG1 4Å; A391-V603 HydrophobicContact CB-CG2 4.21Å; A391-F610 HydrophobicContact CB-CB 3.93Å; A391-V612 HydrophobicContact CB-CG2 3.96Å; A391-V612 WeakPolarHBondContact O-CG2 3.21Å
392S98.8Very high96.6Very high0 Ų016.8 Ų16.80%08%0.081CC..Hα-helixtrans-62.1-44.3175.4-60.40000111.9G388 V389 L390 A395 F396G388-S392 WeakPolarHBondContact O-CB 3.37Å; G388-S392 PolarHBondContact O-N 3.03Å; G388-S392 PolarHBondContact O-OG 3.43Å; V389-S392 PolarHBondContact O-N 2.87Å; L390-S392 PolarHBondContact O-N 2.97Å; S392-A395 PolarHBondContact O-N 3.38Å; S392-F396 WeakPolarHBondContact O-CD2 3.36Å; S392-F396 PolarHBondContact O-N 3.25Å
393I98.8Very high96.5Very high0 Ų011.2 Ų11.20%06%0.062CC..Hα-helixtrans-72.1-36.7176.3-66.3-50.2000112.2F367 I379 V389 L390 A395 F396 F397 L427 L431 V434 L502F367-I393 HydrophobicContact CD1-CB 4.18Å; F367-I393 HydrophobicContact CD1-CG1 4.49Å; F367-I393 HydrophobicContact CD1-CG2 3.89Å; F367-I393 HydrophobicContact CE1-CB 3.91Å; F367-I393 HydrophobicContact CE1-CG1 3.8Å; F367-I393 HydrophobicContact CE1-CG2 4.05Å; F367-I393 HydrophobicContact CZ-CG1 4.18Å; I379-I393 HydrophobicContact CD1-CG2 3.92Å; V389-I393 PolarHBondContact O-N 2.84Å; L390-I393 PolarHBondContact O-N 3.41Å; I393-A395 VanDerWaalsContact C-N 3.28Å; I393-A395 PolarHBondContact O-N 2.78Å; I393-F396 PolarHBondContact O-N 3.36Å; I393-F397 WeakPolarHBondContact O-CB 3.34Å; I393-F397 PolarHBondContact O-N 2.86Å; I393-L427 HydrophobicContact CG2-CD1 3.72Å; I393-L431 HydrophobicContact CD1-CD2 3.89Å; I393-L431 HydrophobicContact CG1-CD2 4.11Å; I393-L431 HydrophobicContact CG2-CD2 4.24Å; I393-V434 HydrophobicContact CD1-CB 4.32Å; I393-V434 HydrophobicContact CD1-CG1 4.42Å; I393-V434 HydrophobicContact CD1-CG2 3.9Å; I393-L502 HydrophobicContact CD1-CD2 3.6Å; I393-L502 HydrophobicContact CG1-CD2 3.38Å
394Q98.8Very high96.3Very high4 Ų49.6 Ų9.62%0.0196%0.056CC..Hα-helixtrans-58.9-40.9173.2-178.963.738.900111.2Y377 I379 L390 A391 F397 L398 V612 Y635Y377-Q394 PolarHBondContact O-NE2 2.7Å; Y377-Q394 PolarHBondContact O-OE1 2.7Å; I379-Q394 HydrophobicContact CD1-CB 4.49Å; I379-Q394 VanDerWaalsContact CG1-OE1 3.28Å; L390-Q394 VanDerWaalsContact O-CB 3.22Å; L390-Q394 WeakPolarHBondContact O-CB 3.46Å; L390-Q394 PolarHBondContact O-N 3.2Å; A391-Q394 PolarHBondContact O-N 2.76Å; Q394-F397 PolarHBondContact O-N 3.46Å; Q394-L398 HydrophobicContact CG-CD1 4.17Å; Q394-L398 WeakPolarHBondContact O-CB 3.41Å; Q394-L398 WeakPolarHBondContact O-CG 3.29Å; Q394-L398 PolarHBondContact O-N 3.29Å; Q394-V612 HydrophobicContact CB-CG2 3.84Å; Q394-V612 HydrophobicContact CG-CB 4.22Å; Q394-V612 HydrophobicContact CG-CG2 3.75Å; Q394-Y635 HydrophobicContact CG-CD1 4.12Å
395A98.8Very high95.4Very high0 Ų010.2 Ų10.20%05%0.05CC..Hα-helixtrans-64.5-47.6176.300000112.3A391 S392 I393 L398 K399 V576 I601 V603 V612A391-A395 WeakPolarHBondContact O-CB 3.28Å; A391-A395 PolarHBondContact O-N 3.22Å; S392-A395 PolarHBondContact O-N 3.38Å; I393-A395 VanDerWaalsContact C-N 3.28Å; I393-A395 PolarHBondContact O-N 2.78Å; A395-L398 PolarHBondContact O-N 3.17Å; A395-K399 WeakPolarHBondContact O-CB 3.46Å; A395-K399 PolarHBondContact O-N 3.04Å; A395-V576 HydrophobicContact CB-CB 4.12Å; A395-V576 HydrophobicContact CB-CG1 4.26Å; A395-V576 HydrophobicContact CB-CG2 4.01Å; A395-I601 HydrophobicContact CB-CG2 3.67Å; A395-V603 HydrophobicContact CB-CG2 4.01Å; A395-V612 HydrophobicContact CB-CG1 4.41Å
396F98.7Very high93.9Very high1 Ų112.3 Ų12.30%0.0047%0.067CC..Hα-helixtrans-68.8-32.4175.1-83.1-76000113.2S392 I393 K399 K400 A430 E433 V434 L541 Q575 V576S392-F396 WeakPolarHBondContact O-CD2 3.36Å; S392-F396 PolarHBondContact O-N 3.25Å; I393-F396 PolarHBondContact O-N 3.36Å; F396-K399 HydrophobicContact CD1-CD 4.22Å; F396-K399 WeakPolarHBondContact O-CB 3.4Å; F396-K399 PolarHBondContact O-N 3.01Å; F396-K400 WeakPolarHBondContact O-CG 3.4Å; F396-K400 PolarHBondContact O-N 3.34Å; F396-A430 HydrophobicContact CB-CB 3.88Å; F396-E433 HydrophobicContact CD1-CG 4.3Å; F396-E433 HydrophobicContact CE1-CG 4.14Å; F396-V434 HydrophobicContact CB-CG2 4.28Å; F396-V434 HydrophobicContact CD1-CG2 4.44Å; F396-V434 HydrophobicContact CD2-CG2 3.36Å; F396-V434 HydrophobicContact CE2-CG2 3.7Å; F396-V434 HydrophobicContact CG-CG2 3.78Å; F396-V434 HydrophobicContact CZ-CG2 4.38Å; F396-L541 WeakPolarHBondContact CE2-O 3.45Å; F396-Q575 HydrophobicContact CE1-CB 4.45Å; F396-V576 HydrophobicContact CD2-CG2 3.94Å; F396-V576 HydrophobicContact CE1-CG2 4.32Å; F396-V576 HydrophobicContact CE2-CG2 3.59Å; F396-V576 HydrophobicContact CG-CG2 4.45Å; F396-V576 HydrophobicContact CZ-CG2 3.79Å
397F98.5Very high91.9Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-63-49.3173.6171.7-92.3000111.3F369 Y377 I393 Q394 K399 K400 L401 R423 C426 L427 A430F369-F397 HydrophobicContact CD1-CZ 4.31Å; F369-F397 HydrophobicContact CE1-CD1 4Å; F369-F397 AromaticContact CE1-CD2 3.87Å; F369-F397 HydrophobicContact CE1-CD2 3.87Å; F369-F397 AromaticContact CE1-CE1 3.68Å; F369-F397 HydrophobicContact CE1-CE1 3.68Å; F369-F397 AromaticContact CE1-CE2 3.51Å; F369-F397 HydrophobicContact CE1-CE2 3.51Å; F369-F397 HydrophobicContact CE1-CG 4.1Å; F369-F397 AromaticContact CE1-CZ 3.41Å; F369-F397 HydrophobicContact CE1-CZ 3.41Å; F369-F397 VanDerWaalsContact CE1-CZ 3.41Å; F369-F397 HydrophobicContact CE2-CE2 4.43Å; F369-F397 AromaticContact CZ-CD2 3.65Å; F369-F397 HydrophobicContact CZ-CD2 3.65Å; F369-F397 HydrophobicContact CZ-CE1 4.39Å; F369-F397 AromaticContact CZ-CE2 3.35Å; F369-F397 HydrophobicContact CZ-CE2 3.35Å; F369-F397 HydrophobicContact CZ-CG 4.27Å; F369-F397 AromaticContact CZ-CZ 3.78Å; F369-F397 HydrophobicContact CZ-CZ 3.78Å; Y377-F397 WeakPolarHBondContact O-CD1 3.42Å; Y377-F397 WeakPolarHBondContact O-CE1 3.43Å; I393-F397 WeakPolarHBondContact O-CB 3.34Å; I393-F397 PolarHBondContact O-N 2.86Å; Q394-F397 PolarHBondContact O-N 3.46Å; F397-K399 VanDerWaalsContact C-N 3.27Å; F397-K399 PolarHBondContact O-N 3.36Å; F397-K400 PolarHBondContact O-N 3.07Å; F397-K400 VanDerWaalsContact O-N 3.15Å; F397-L401 HydrophobicContact CE1-CB 4.41Å; F397-L401 HydrophobicContact CE1-CD2 3.62Å; F397-L401 HydrophobicContact CZ-CD2 3.95Å; F397-L401 WeakPolarHBondContact O-CB 3.42Å; F397-L401 PolarHBondContact O-N 3Å; F397-R423 HydrophobicContact CE2-CB 4.5Å; F397-R423 WeakPolarHBondContact CE2-O 3.2Å; F397-R423 HydrophobicContact CZ-CG 4.39Å; F397-C426 HydrophobicContact CD2-CB 3.66Å; F397-C426 HydrophobicContact CE2-CB 3.4Å; F397-C426 HydrophobicContact CZ-CB 4.22Å; F397-L427 HydrophobicContact CD2-CB 4.43Å; F397-A430 HydrophobicContact CB-CB 4.4Å
398L97.8Very high89.7Confident0 Ų023.6 Ų23.60%015%0.15CC..Hα-helixtrans-59.7-38.9174-77.5165.6000111.4Y377 Q394 A395 K400 L401 L402 I601 V612 F614Y377-L398 HydrophobicContact CD2-CD2 3.82Å; Y377-L398 HydrophobicContact CE2-CD2 4.49Å; Y377-L398 HydrophobicContact CG-CD2 4.32Å; Q394-L398 HydrophobicContact CG-CD1 4.17Å; Q394-L398 WeakPolarHBondContact O-CB 3.41Å; Q394-L398 WeakPolarHBondContact O-CG 3.29Å; Q394-L398 PolarHBondContact O-N 3.29Å; A395-L398 PolarHBondContact O-N 3.17Å; L398-K400 VanDerWaalsContact C-N 3.35Å; L398-K400 PolarHBondContact O-N 3.43Å; L398-L401 PolarHBondContact O-N 3.36Å; L398-L402 HydrophobicContact CB-CD1 4.45Å; L398-L402 HydrophobicContact CD2-CD1 4.23Å; L398-L402 VanDerWaalsContact O-CB 3.29Å; L398-L402 WeakPolarHBondContact O-CB 3.41Å; L398-L402 WeakPolarHBondContact O-CG 3.36Å; L398-L402 PolarHBondContact O-N 3.49Å; L398-I601 HydrophobicContact CB-CD1 3.95Å; L398-V612 HydrophobicContact CD1-CG1 3.93Å; L398-F614 HydrophobicContact CD1-CD1 3.58Å; L398-F614 HydrophobicContact CD1-CD2 4.38Å; L398-F614 HydrophobicContact CD1-CE1 3.75Å; L398-F614 HydrophobicContact CD1-CG 3.93Å; L398-F614 HydrophobicContact CD1-CZ 4.23Å; L398-F614 HydrophobicContact CD2-CD2 4.36Å; L398-F614 HydrophobicContact CD2-CE1 4.38Å; L398-F614 HydrophobicContact CD2-CE2 4Å; L398-F614 HydrophobicContact CD2-CZ 4.01Å
399K96.8Very high87.6Confident2 Ų227 Ų271%0.00919%0.185CC..Hα-helixtrans-57.9-45.3174.4-173.5-123.1176.7-169.90111.7A395 F396 F397 F403 E404 E433 V576 Y599 I601A395-K399 WeakPolarHBondContact O-CB 3.46Å; A395-K399 PolarHBondContact O-N 3.04Å; F396-K399 HydrophobicContact CD1-CD 4.22Å; F396-K399 WeakPolarHBondContact O-CB 3.4Å; F396-K399 PolarHBondContact O-N 3.01Å; F397-K399 VanDerWaalsContact C-N 3.27Å; F397-K399 PolarHBondContact O-N 3.36Å; K399-F403 PolarHBondContact O-N 3.47Å; K399-E404 WeakPolarHBondContact CE-OE1 3.33Å; K399-E404 IonicContact NZ-OE1 3.15Å; K399-E404 PolarHBondContact NZ-OE1 3.11Å; K399-E404 IonicContact NZ-OE2 3.67Å; K399-E404 PolarHBondContact NZ-OE2 3.46Å; K399-E433 IonicContact NZ-OE1 2.8Å; K399-E433 PolarHBondContact NZ-OE1 3.36Å; K399-E433 IonicContact NZ-OE2 3.34Å; K399-E433 PolarHBondContact NZ-OE2 3.2Å; K399-V576 HydrophobicContact CB-CG1 4.12Å; K399-V576 HydrophobicContact CG-CG1 4.42Å; K399-Y599 HydrophobicContact CD-CD2 4.47Å; K399-Y599 HydrophobicContact CD-CE2 4.4Å; K399-Y599 VanDerWaalsContact CE-CZ 3.44Å; K399-Y599 HydrophobicContact CG-CD1 4.03Å; K399-Y599 HydrophobicContact CG-CD2 3.97Å; K399-Y599 HydrophobicContact CG-CE1 4.27Å; K399-Y599 HydrophobicContact CG-CE2 4.28Å; K399-Y599 HydrophobicContact CG-CG 3.85Å; K399-I601 VanDerWaalsContact CA-CD1 3.5Å; K399-I601 HydrophobicContact CB-CD1 3.75Å; K399-I601 VanDerWaalsContact N-CD1 3.31Å
400K96.1Very high85.5Confident18 Ų1832 Ų328%0.07821%0.212CC..Hα-helixtrans-63.8-53174.1-62.4-58.3174.7-175.90111.8F396 F397 L398 L402 E404 N405 C426 L429 A430 E433F396-K400 WeakPolarHBondContact O-CG 3.4Å; F396-K400 PolarHBondContact O-N 3.34Å; F397-K400 PolarHBondContact O-N 3.07Å; F397-K400 VanDerWaalsContact O-N 3.15Å; L398-K400 VanDerWaalsContact C-N 3.35Å; L398-K400 PolarHBondContact O-N 3.43Å; K400-L402 PolarHBondContact O-N 3.49Å; K400-E404 HydrophobicContact CD-CB 4.46Å; K400-E404 VanDerWaalsContact CD-OE2 3.22Å; K400-E404 WeakPolarHBondContact CD-OE2 3.32Å; K400-E404 WeakPolarHBondContact CE-OE2 3.36Å; K400-E404 IonicContact NZ-OE2 3.4Å; K400-E404 PolarHBondContact NZ-OE2 2.88Å; K400-E404 PolarHBondContact O-N 2.69Å; K400-E404 VanDerWaalsContact O-N 3.11Å; K400-N405 WeakPolarHBondContact O-CB 3.37Å; K400-N405 PolarHBondContact O-N 3.15Å; K400-C426 HydrophobicContact CB-CB 4.01Å; K400-L429 HydrophobicContact CD-CB 3.71Å; K400-L429 HydrophobicContact CD-CD1 4.33Å; K400-L429 VanDerWaalsContact CE-O 3.31Å; K400-L429 WeakPolarHBondContact CE-O 3.34Å; K400-L429 HydrophobicContact CG-CB 3.82Å; K400-A430 HydrophobicContact CG-CB 4.3Å; K400-E433 WeakPolarHBondContact CE-OE2 3.22Å; K400-E433 IonicContact NZ-OE2 2.64Å; K400-E433 PolarHBondContact NZ-OE2 2.87Å
401L94.6Very high84Confident4 Ų434.3 Ų34.32%0.02123%0.232CC..Hα-helixtrans-62.3-42.6-173.8179.359.2000113.6F397 L398 R415 P418 T422F397-L401 HydrophobicContact CE1-CB 4.41Å; F397-L401 HydrophobicContact CE1-CD2 3.62Å; F397-L401 HydrophobicContact CZ-CD2 3.95Å; F397-L401 WeakPolarHBondContact O-CB 3.42Å; F397-L401 PolarHBondContact O-N 3Å; L398-L401 PolarHBondContact O-N 3.36Å; L401-R415 WeakPolarHBondContact CD1-O 3.44Å; L401-R415 WeakPolarHBondContact CD2-O 3.46Å; L401-R415 WeakPolarHBondContact CG-O 3.24Å; L401-R415 PolarHBondContact O-NH2 3.23Å; L401-P418 HydrophobicContact CD1-CB 3.88Å; L401-P418 HydrophobicContact CD1-CG 4.45Å; L401-P418 HydrophobicContact CD2-CB 4.28Å; L401-P418 HydrophobicContact CD2-CG 3.93Å; L401-T422 HydrophobicContact CD1-CG2 3.87Å
402L92.8Very high82.7Confident4 Ų437.3 Ų37.32%0.02125%0.247CC..Hα-helixtrans-85.4-36.4-175.6-62.8176.3000112.7L398 K400 R415 L416 F614 L616L398-L402 HydrophobicContact CB-CD1 4.45Å; L398-L402 HydrophobicContact CD2-CD1 4.23Å; L398-L402 VanDerWaalsContact O-CB 3.29Å; L398-L402 WeakPolarHBondContact O-CB 3.41Å; L398-L402 WeakPolarHBondContact O-CG 3.36Å; L398-L402 PolarHBondContact O-N 3.49Å; K400-L402 PolarHBondContact O-N 3.49Å; L402-R415 HydrophobicContact CD2-CB 4.36Å; L402-R415 PolarHBondContact O-NH2 3.1Å; L402-L416 HydrophobicContact CD2-CD2 3.88Å; L402-F614 HydrophobicContact CD1-CD2 3.82Å; L402-F614 HydrophobicContact CD1-CE2 4.12Å; L402-L616 HydrophobicContact CD1-CD2 3.93Å; L402-L616 HydrophobicContact CD2-CD2 3.99Å
403F91.4Very high81.2Confident38 Ų3842 Ų4217%0.16727%0.272CS..Hα-helixtrans-124.8-6.5-163.9-53.3-66.2000116.3K399 Y599 P600 I601 R618K399-F403 PolarHBondContact O-N 3.47Å; F403-Y599 HydrophobicContact CB-CD1 3.68Å; F403-Y599 HydrophobicContact CB-CE1 3.6Å; F403-Y599 AromaticContact CD2-CD1 3.56Å; F403-Y599 HydrophobicContact CD2-CD1 3.56Å; F403-Y599 HydrophobicContact CD2-CE1 4.37Å; F403-Y599 HydrophobicContact CD2-CG 4.38Å; F403-Y599 HydrophobicContact CE2-CD1 4.37Å; F403-Y599 AromaticContact CG-CD1 3.72Å; F403-Y599 HydrophobicContact CG-CD1 3.72Å; F403-Y599 HydrophobicContact CG-CE1 4.17Å; F403-P600 HydrophobicContact CE2-CG 4.13Å; F403-P600 HydrophobicContact CZ-CG 3.71Å; F403-I601 HydrophobicContact CD2-CD1 4.39Å; F403-I601 HydrophobicContact CE2-CD1 4.06Å; F403-I601 HydrophobicContact CE2-CG1 4.34Å; F403-R618 HydrophobicContact CD1-CG 3.58Å; F403-R618 HydrophobicContact CE1-CG 3.57Å; F403-R618 HydrophobicContact CG-CG 4.33Å; F403-R618 HydrophobicContact CZ-CG 4.3Å
404E87.6Confident80.1Confident79 Ų7947.2 Ų47.237%0.36930%0.296SS..THydrogen-bonded Turntrans-130.6-34.1-178-60.8-173.1169.100114.2K399 K400 A406 Y599K399-E404 WeakPolarHBondContact CE-OE1 3.33Å; K399-E404 IonicContact NZ-OE1 3.15Å; K399-E404 PolarHBondContact NZ-OE1 3.11Å; K399-E404 IonicContact NZ-OE2 3.67Å; K399-E404 PolarHBondContact NZ-OE2 3.46Å; K400-E404 HydrophobicContact CD-CB 4.46Å; K400-E404 VanDerWaalsContact CD-OE2 3.22Å; K400-E404 WeakPolarHBondContact CD-OE2 3.32Å; K400-E404 WeakPolarHBondContact CE-OE2 3.36Å; K400-E404 IonicContact NZ-OE2 3.4Å; K400-E404 PolarHBondContact NZ-OE2 2.88Å; K400-E404 PolarHBondContact O-N 2.69Å; K400-E404 VanDerWaalsContact O-N 3.11Å; E404-A406 PolarHBondContact O-N 2.82Å; E404-A406 VanDerWaalsContact O-N 3.17Å; E404-Y599 PolarHBondContact OE1-OH 3.15Å
405N73.4Confident79.2Confident50 Ų5049.3 Ų49.327%0.26730%0.303SS..SBendtrans-89.951174.8-163.419.3000110.9K400 C426K400-N405 WeakPolarHBondContact O-CB 3.37Å; K400-N405 PolarHBondContact O-N 3.15Å; N405-C426 PolarHBondContact ND2-SG 3.44Å
406A60.9Low78.7Confident44 Ų4449.4 Ų49.436%0.36430%0.304SS..  trans-112.576.9-166.100000111.8E404 G408E404-A406 PolarHBondContact O-N 2.82Å; E404-A406 VanDerWaalsContact O-N 3.17Å; A406-G408 PolarHBondContact O-N 3.03Å
407D56.3Low78.4Confident144 Ų14457 Ų5777%0.7733%0.333SS*.  trans-59.2129.4163.8-75.2-38.6000109.2G409D407-G409 PolarHBondContact O-N 3.31Å
408G50.5Low78Confident95 Ų9557.4 Ų57.498%0.97934%0.335SS*.THydrogen-bonded Turntrans-76.276.6-160.600000114.8A406A406-G408 PolarHBondContact O-N 3.03Å
409G52Low77.7Confident72 Ų7260.1 Ų60.174%0.74235%0.354SS*.THydrogen-bonded Turntrans-163.6-40.4173.300000115.5D407D407-G409 PolarHBondContact O-N 3.31Å
410D56.4Low77.5Confident104 Ų10463.8 Ų63.856%0.55638%0.38SS*.  trans-68.9134.1-169.8-75.50.6000113.7R415D410-R415 HydrophobicContact CB-CG 4.49Å; D410-R415 PolarHBondContact O-NE 3.16Å
411A66.8Low77.3Confident56 Ų5667 Ų6746%0.46341%0.405SS..  trans-61.9142.4175.600000110.1L413 Q414A411-L413 PolarHBondContact O-N 2.83Å; A411-Q414 HydrophobicContact CB-CG 4.33Å; A411-Q414 WeakPolarHBondContact O-CB 3.22Å; A411-Q414 PolarHBondContact O-N 3.42Å
412I69.9Low77.3Confident69 Ų6968.9 Ų68.935%0.35442%0.416SS..G310 helixtrans-60-34.3-164.1-48.6175.4000112.7Q414 R415 L616I412-Q414 VanDerWaalsContact C-N 3.35Å; I412-Q414 PolarHBondContact O-N 2.91Å; I412-R415 PolarHBondContact O-N 3.36Å; I412-L616 HydrophobicContact CG2-CB 3.86Å; I412-L616 HydrophobicContact CG2-CD1 4.44Å; I412-L616 HydrophobicContact CG2-CG 4.5Å
413L67.8Low77.4Confident99 Ų9970.5 Ų70.552%0.51842%0.422SS..G310 helixtrans-65.1-31.3174.1-64.2171.9000113.6A411 R415 L416 L616 Y633A411-L413 PolarHBondContact O-N 2.83Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.44Å; L413-L416 HydrophobicContact CD2-CD1 4.4Å; L413-L416 WeakPolarHBondContact O-CB 3.33Å; L413-L416 PolarHBondContact O-N 3.45Å; L413-L416 VanDerWaalsContact O-N 3.16Å; L413-L616 HydrophobicContact CD2-CD1 3.65Å; L413-Y633 WeakPolarHBondContact CD2-OH 3.49Å
414Q75Confident77.6Confident109 Ų10972.2 Ų72.251%0.50943%0.428SS..G310 helixtrans-67.2-28.9178.3-66.8171.9-47.900111.8A411 I412 L416 R417A411-Q414 HydrophobicContact CB-CG 4.33Å; A411-Q414 WeakPolarHBondContact O-CB 3.22Å; A411-Q414 PolarHBondContact O-N 3.42Å; I412-Q414 VanDerWaalsContact C-N 3.35Å; I412-Q414 PolarHBondContact O-N 2.91Å; Q414-L416 PolarHBondContact O-N 3.37Å; Q414-R417 PolarHBondContact O-N 2.76Å
415R80.9Confident78Confident47 Ų4772.2 Ų72.218%0.17743%0.427CS..G310 helixtrans-67.1-15.8174.8-65.8116.7146.9-80.3-145.6113.6L401 L402 D410 I412 L413 R417L401-R415 WeakPolarHBondContact CD1-O 3.44Å; L401-R415 WeakPolarHBondContact CD2-O 3.46Å; L401-R415 WeakPolarHBondContact CG-O 3.24Å; L401-R415 PolarHBondContact O-NH2 3.23Å; L402-R415 HydrophobicContact CD2-CB 4.36Å; L402-R415 PolarHBondContact O-NH2 3.1Å; D410-R415 HydrophobicContact CB-CG 4.49Å; D410-R415 PolarHBondContact O-NE 3.16Å; I412-R415 PolarHBondContact O-N 3.36Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.44Å; R415-R417 PolarHBondContact O-N 2.9Å
416L89.2Confident79.1Confident3 Ų369.8 Ų69.82%0.01642%0.415CS..G310 helixtrans-76.5-7.9171.5-60.6173.2000112.7Y377 L402 L413 Q414 P418 F614 L616 Y633 E644Y377-L416 HydrophobicContact CD1-CB 3.88Å; Y377-L416 HydrophobicContact CD1-CD2 3.96Å; Y377-L416 HydrophobicContact CD1-CG 4.48Å; Y377-L416 WeakPolarHBondContact CD1-O 3.19Å; Y377-L416 HydrophobicContact CE1-CB 4.25Å; Y377-L416 HydrophobicContact CE1-CD2 4.25Å; Y377-L416 HydrophobicContact CG-CD2 4.25Å; L402-L416 HydrophobicContact CD2-CD2 3.88Å; L413-L416 HydrophobicContact CD2-CD1 4.4Å; L413-L416 WeakPolarHBondContact O-CB 3.33Å; L413-L416 PolarHBondContact O-N 3.45Å; L413-L416 VanDerWaalsContact O-N 3.16Å; Q414-L416 PolarHBondContact O-N 3.37Å; L416-P418 WeakPolarHBondContact O-CD 3.35Å; L416-F614 HydrophobicContact CD2-CE2 3.9Å; L416-F614 HydrophobicContact CD2-CZ 4.22Å; L416-L616 HydrophobicContact CD1-CD1 4.15Å; L416-L616 HydrophobicContact CD1-CD2 4.02Å; L416-L616 HydrophobicContact CD2-CD2 4.23Å; L416-L616 HydrophobicContact CG-CD2 4.44Å; L416-Y633 HydrophobicContact CD1-CE1 4.46Å; L416-E644 VanDerWaalsContact CD1-OE2 3.24Å; L416-E644 WeakPolarHBondContact CD1-OE2 3.49Å
417R90.9Very high80.9Confident160 Ų16067.7 Ų67.760%0.60440%0.397SS*.SBendtrans-108.858.3173-61-177.8178.9145-2.5112.2D374 Q414 R415D374-R417 IonicContact OD1-CZ 3.99Å; D374-R417 IonicContact OD1-NE 2.75Å; D374-R417 PolarHBondContact OD1-NE 3.01Å; D374-R417 IonicContact OD1-NH2 3.47Å; D374-R417 PolarHBondContact OD1-NH2 2.88Å; Q414-R417 PolarHBondContact O-N 2.76Å; R415-R417 PolarHBondContact O-N 2.9Å
418P91.3Very high83Confident8 Ų861 Ų615%0.05236%0.361CS..  trans-68.6140.2-173.929.6-36.2000112.9L401 L416 T422 R423L401-P418 HydrophobicContact CD1-CB 3.88Å; L401-P418 HydrophobicContact CD1-CG 4.45Å; L401-P418 HydrophobicContact CD2-CB 4.28Å; L401-P418 HydrophobicContact CD2-CG 3.93Å; L416-P418 WeakPolarHBondContact O-CD 3.35Å; P418-T422 HydrophobicContact CB-CG2 3.96Å; P418-R423 HydrophobicContact CB-CG 3.89Å; P418-R423 HydrophobicContact CG-CG 3.69Å; P418-R423 PolarHBondContact O-NE 2.9Å; P418-R423 PolarHBondContact O-NH2 2.93Å
419S91.3Very high85.2Confident57 Ų5757.7 Ų57.740%0.39932%0.321SS..  trans-65.2158.9169.481.80000111.8S421 T422 R423S419-S421 PolarHBondContact O-N 3.41Å; S419-S421 PolarHBondContact OG-OG 3.06Å; S419-T422 WeakPolarHBondContact O-CA 3.45Å; S419-T422 WeakPolarHBondContact O-CB 3.37Å; S419-T422 PolarHBondContact O-N 2.77Å; S419-T422 PolarHBondContact OG-N 3.45Å; S419-T422 PolarHBondContact OG-OG1 2.83Å; S419-R423 WeakPolarHBondContact O-CG 3.49Å; S419-R423 PolarHBondContact O-N 3.07Å
420S92.2Very high87.5Confident79 Ų7954.3 Ų54.355%0.55229%0.286SS*.Hα-helixtrans-61.3-28.7-178.1-42.10000113.8R424S420-R424 WeakPolarHBondContact O-CB 3.11Å; S420-R424 PolarHBondContact O-N 2.84Å; S420-R424 VanDerWaalsContact O-N 3.13Å
421S92.5Very high89.5Confident87 Ų8749.3 Ų49.361%0.60826%0.26SS*.Hα-helixtrans-73.7-43171.846.50000111.6S419 R423 R424 H425S419-S421 PolarHBondContact O-N 3.41Å; S419-S421 PolarHBondContact OG-OG 3.06Å; S421-R423 VanDerWaalsContact C-N 3.31Å; S421-R423 PolarHBondContact O-N 2.99Å; S421-R424 PolarHBondContact O-N 3.31Å; S421-H425 WeakPolarHBondContact O-CB 3.42Å; S421-H425 PolarHBondContact O-N 2.83Å
422T93.1Very high91Very high42 Ų4246.7 Ų46.726%0.25824%0.238SC..Hα-helixtrans-56.8-45.1172.5-46.50000111.1L401 P418 S419 C426L401-T422 HydrophobicContact CD1-CG2 3.87Å; P418-T422 HydrophobicContact CB-CG2 3.96Å; S419-T422 WeakPolarHBondContact O-CA 3.45Å; S419-T422 WeakPolarHBondContact O-CB 3.37Å; S419-T422 PolarHBondContact O-N 2.77Å; S419-T422 PolarHBondContact OG-N 3.45Å; S419-T422 PolarHBondContact OG-OG1 2.83Å; T422-C426 WeakPolarHBondContact O-CB 3.38Å; T422-C426 PolarHBondContact O-N 2.86Å; T422-C426 PolarHBondContact O-SG 3.09Å
423R95.1Very high92.4Very high38 Ų3844.5 Ų44.514%0.14323%0.226CC..Hα-helixtrans-59.5-51.5176.3-66.5178.1-152.7-160.8-0.6111.4F369 S370 G376 F397 P418 S419 S421 H425 C426 L427F369-R423 HydrophobicContact CD1-CG 4.49Å; F369-R423 HydrophobicContact CD2-CB 4Å; F369-R423 HydrophobicContact CD2-CG 4.45Å; F369-R423 HydrophobicContact CE2-CB 3.92Å; F369-R423 HydrophobicContact CG-CB 4.4Å; F369-R423 HydrophobicContact CG-CG 4.37Å; F369-R423 HydrophobicContact CZ-CB 4.25Å; S370-R423 PolarHBondContact O-NH1 3.13Å; G376-R423 VanDerWaalsContact CA-NH2 3.32Å; G376-R423 WeakPolarHBondContact O-CD 3.25Å; G376-R423 PolarHBondContact O-NE 2.91Å; G376-R423 VanDerWaalsContact O-NE 3.08Å; G376-R423 PolarHBondContact O-NH1 2.64Å; F397-R423 HydrophobicContact CE2-CB 4.5Å; F397-R423 WeakPolarHBondContact CE2-O 3.2Å; F397-R423 HydrophobicContact CZ-CG 4.39Å; P418-R423 HydrophobicContact CB-CG 3.89Å; P418-R423 HydrophobicContact CG-CG 3.69Å; P418-R423 PolarHBondContact O-NE 2.9Å; P418-R423 PolarHBondContact O-NH2 2.93Å; S419-R423 WeakPolarHBondContact O-CG 3.49Å; S419-R423 PolarHBondContact O-N 3.07Å; S421-R423 VanDerWaalsContact C-N 3.31Å; S421-R423 PolarHBondContact O-N 2.99Å; R423-H425 PolarHBondContact O-N 3.44Å; R423-C426 PolarHBondContact O-N 3.21Å; R423-L427 WeakPolarHBondContact O-CB 3.42Å; R423-L427 PolarHBondContact O-N 3.21Å
424R96.1Very high93.9Very high74 Ų7439.8 Ų39.828%0.27920%0.201SC..Hα-helixtrans-60.8-44.4-179.4-170.6159.9-67.7121.613.7112.3S420 S421 L427 V428 I489 E493S420-R424 WeakPolarHBondContact O-CB 3.11Å; S420-R424 PolarHBondContact O-N 2.84Å; S420-R424 VanDerWaalsContact O-N 3.13Å; S421-R424 PolarHBondContact O-N 3.31Å; R424-L427 PolarHBondContact O-N 2.75Å; R424-V428 WeakPolarHBondContact O-CG2 3.43Å; R424-V428 PolarHBondContact O-N 2.81Å; R424-I489 HydrophobicContact CG-CG1 3.94Å; R424-I489 HydrophobicContact CG-CG2 3.85Å; R424-E493 IonicContact CZ-OE1 2.64Å; R424-E493 IonicContact CZ-OE2 2.7Å; R424-E493 VanDerWaalsContact CZ-OE2 3.24Å; R424-E493 IonicContact NE-OE1 2.64Å; R424-E493 IonicContact NE-OE2 3.47Å; R424-E493 PolarHBondContact NE-OE2 2.85Å; R424-E493 IonicContact NH2-OE1 3.71Å; R424-E493 PolarHBondContact NH2-OE1 3.43Å; R424-E493 IonicContact NH2-OE2 3.76Å; R424-E493 PolarHBondContact NH2-OE2 2.65Å
425H96.3Very high95Very high79 Ų7934.6 Ų34.637%0.36618%0.177SC..Hα-helixtrans-65.8-48178.7-171.258000112.4S421 R423 L427 V428 L429S421-H425 WeakPolarHBondContact O-CB 3.42Å; S421-H425 PolarHBondContact O-N 2.83Å; R423-H425 PolarHBondContact O-N 3.44Å; H425-L427 VanDerWaalsContact C-N 3.26Å; H425-L427 PolarHBondContact O-N 3.19Å; H425-V428 PolarHBondContact O-N 3.06Å; H425-L429 WeakPolarHBondContact O-CG 3.5Å; H425-L429 PolarHBondContact O-N 2.84Å
426C97.4Very high95.8Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-60.8-34.7174.9-75.20000112.3F397 K400 N405 T422 R423 A430F397-C426 HydrophobicContact CD2-CB 3.66Å; F397-C426 HydrophobicContact CE2-CB 3.4Å; F397-C426 HydrophobicContact CZ-CB 4.22Å; K400-C426 HydrophobicContact CB-CB 4.01Å; N405-C426 PolarHBondContact ND2-SG 3.44Å; T422-C426 WeakPolarHBondContact O-CB 3.38Å; T422-C426 PolarHBondContact O-N 2.86Å; T422-C426 PolarHBondContact O-SG 3.09Å; R423-C426 PolarHBondContact O-N 3.21Å; C426-A430 VanDerWaalsContact O-CB 3.25Å; C426-A430 WeakPolarHBondContact O-CB 3.28Å; C426-A430 PolarHBondContact O-N 3.28Å
427L98.6Very high96.3Very high0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-66.5-47.2174-177.764.9000111.6F367 F369 I393 F397 R423 R424 H425 L429 A430 L431 I489 E493F367-L427 HydrophobicContact CB-CD1 3.93Å; F367-L427 HydrophobicContact CB-CD2 3.87Å; F367-L427 HydrophobicContact CG-CD1 4.19Å; F369-L427 HydrophobicContact CE2-CB 4.37Å; F369-L427 HydrophobicContact CE2-CD2 4.15Å; F369-L427 HydrophobicContact CZ-CB 4.27Å; I393-L427 HydrophobicContact CG2-CD1 3.72Å; F397-L427 HydrophobicContact CD2-CB 4.43Å; R423-L427 WeakPolarHBondContact O-CB 3.42Å; R423-L427 PolarHBondContact O-N 3.21Å; R424-L427 PolarHBondContact O-N 2.75Å; H425-L427 VanDerWaalsContact C-N 3.26Å; H425-L427 PolarHBondContact O-N 3.19Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 3.25Å; L427-A430 PolarHBondContact O-N 2.76Å; L427-L431 HydrophobicContact CD1-CD1 4.1Å; L427-L431 HydrophobicContact CD1-CD2 4.42Å; L427-L431 HydrophobicContact CD1-CG 4.06Å; L427-L431 HydrophobicContact CG-CD1 3.9Å; L427-L431 HydrophobicContact CG-CG 4.28Å; L427-L431 WeakPolarHBondContact O-CB 3.28Å; L427-L431 VanDerWaalsContact O-CG 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.29Å; L427-L431 PolarHBondContact O-N 3.41Å; L427-I489 HydrophobicContact CD2-CD1 3.81Å; L427-I489 HydrophobicContact CD2-CG1 4.41Å; L427-I489 HydrophobicContact CG-CD1 3.97Å; L427-E493 HydrophobicContact CD2-CB 3.96Å; L427-E493 HydrophobicContact CD2-CG 4.09Å
428V98.7Very high96.6Very high2 Ų228.5 Ų28.51%0.01215%0.154CC..Hα-helixtrans-55.9-47174.4168.40000110.9R424 H425 A430 A432 Q482 L485 E486 I489R424-V428 WeakPolarHBondContact O-CG2 3.43Å; R424-V428 PolarHBondContact O-N 2.81Å; H425-V428 PolarHBondContact O-N 3.06Å; V428-A430 PolarHBondContact O-N 2.82Å; V428-A432 WeakPolarHBondContact O-CB 3.46Å; V428-A432 PolarHBondContact O-N 2.8Å; V428-Q482 HydrophobicContact CG1-CB 4.5Å; V428-L485 HydrophobicContact CG1-CB 4.05Å; V428-E486 HydrophobicContact CG1-CB 4.26Å; V428-E486 HydrophobicContact CG2-CB 4.36Å; V428-I489 HydrophobicContact CG2-CB 3.96Å; V428-I489 HydrophobicContact CG2-CD1 3.63Å; V428-I489 HydrophobicContact CG2-CG1 3.67Å
429L98.5Very high96.9Very high27 Ų2728.3 Ų28.314%0.14115%0.153CC..Hα-helixtrans-65.5-36.6178.4-67.5-178.9000113K400 H425 L427 E433 Q482K400-L429 HydrophobicContact CD-CB 3.71Å; K400-L429 HydrophobicContact CD-CD1 4.33Å; K400-L429 VanDerWaalsContact CE-O 3.31Å; K400-L429 WeakPolarHBondContact CE-O 3.34Å; K400-L429 HydrophobicContact CG-CB 3.82Å; H425-L429 WeakPolarHBondContact O-CG 3.5Å; H425-L429 PolarHBondContact O-N 2.84Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 3.25Å; L429-E433 WeakPolarHBondContact O-CB 3.45Å; L429-E433 PolarHBondContact O-N 3.39Å; L429-Q482 HydrophobicContact CD2-CG 4.23Å
430A98.8Very high97.2Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-69.9-47.4177.700000112F396 F397 K400 C426 L427 V428 A432 E433 V434F396-A430 HydrophobicContact CB-CB 3.88Å; F397-A430 HydrophobicContact CB-CB 4.4Å; K400-A430 HydrophobicContact CG-CB 4.3Å; C426-A430 VanDerWaalsContact O-CB 3.25Å; C426-A430 WeakPolarHBondContact O-CB 3.28Å; C426-A430 PolarHBondContact O-N 3.28Å; L427-A430 PolarHBondContact O-N 2.76Å; V428-A430 PolarHBondContact O-N 2.82Å; A430-A432 VanDerWaalsContact C-N 3.31Å; A430-A432 PolarHBondContact O-N 3.11Å; A430-E433 PolarHBondContact O-N 2.84Å; A430-V434 WeakPolarHBondContact O-CG2 3.05Å; A430-V434 PolarHBondContact O-N 2.96Å; A430-V434 VanDerWaalsContact O-N 3.1Å
431L98.9Very high97.5Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-61-41.5174.9-63.7172000110.8F367 I393 L427 V434 L435 L485 I489 Y492 L502F367-L431 HydrophobicContact CD2-CD2 4.45Å; F367-L431 HydrophobicContact CE2-CD2 4.13Å; F367-L431 HydrophobicContact CZ-CD2 4.43Å; I393-L431 HydrophobicContact CD1-CD2 3.89Å; I393-L431 HydrophobicContact CG1-CD2 4.11Å; I393-L431 HydrophobicContact CG2-CD2 4.24Å; L427-L431 HydrophobicContact CD1-CD1 4.1Å; L427-L431 HydrophobicContact CD1-CD2 4.42Å; L427-L431 HydrophobicContact CD1-CG 4.06Å; L427-L431 HydrophobicContact CG-CD1 3.9Å; L427-L431 HydrophobicContact CG-CG 4.28Å; L427-L431 WeakPolarHBondContact O-CB 3.28Å; L427-L431 VanDerWaalsContact O-CG 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.29Å; L427-L431 PolarHBondContact O-N 3.41Å; L431-V434 PolarHBondContact O-N 2.87Å; L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 VanDerWaalsContact O-CG 3.29Å; L431-L435 WeakPolarHBondContact O-CG 3.37Å; L431-L435 PolarHBondContact O-N 3.27Å; L431-L485 HydrophobicContact CB-CD1 4.11Å; L431-L485 HydrophobicContact CB-CD2 4.34Å; L431-I489 HydrophobicContact CD1-CD1 3.78Å; L431-Y492 HydrophobicContact CD1-CD1 3.87Å; L431-Y492 HydrophobicContact CD1-CG 4.16Å; L431-Y492 HydrophobicContact CD2-CD1 4.5Å; L431-L502 HydrophobicContact CD2-CD1 3.87Å; L431-L502 HydrophobicContact CD2-CD2 3.91Å; L431-L502 HydrophobicContact CD2-CG 4.34Å
432A98.8Very high97.7Very high1 Ų131.8 Ų31.81%0.00814%0.143CC..Hα-helixtrans-61.8-45.6176.300000112.2V428 A430 L435 W436 L481 Q482 L485V428-A432 WeakPolarHBondContact O-CB 3.46Å; V428-A432 PolarHBondContact O-N 2.8Å; A430-A432 VanDerWaalsContact C-N 3.31Å; A430-A432 PolarHBondContact O-N 3.11Å; A432-L435 PolarHBondContact O-N 2.85Å; A432-W436 WeakPolarHBondContact O-CB 3.44Å; A432-W436 PolarHBondContact O-N 3.44Å; A432-L481 HydrophobicContact CB-CD2 4.12Å; A432-L481 HydrophobicContact CB-CG 4.08Å; A432-L481 WeakPolarHBondContact O-CD2 3.47Å; A432-Q482 HydrophobicContact CB-CG 3.64Å; A432-L485 HydrophobicContact CB-CD1 3.71Å
433E98.6Very high97.9Very high22 Ų2234.3 Ų34.310%0.10315%0.152CC..Hα-helixtrans-64.3-42.1179.8-178.4164-167.700112.4F396 K399 K400 L429 A430 W436 R437 Q575F396-E433 HydrophobicContact CD1-CG 4.3Å; F396-E433 HydrophobicContact CE1-CG 4.14Å; K399-E433 IonicContact NZ-OE1 2.8Å; K399-E433 PolarHBondContact NZ-OE1 3.36Å; K399-E433 IonicContact NZ-OE2 3.34Å; K399-E433 PolarHBondContact NZ-OE2 3.2Å; K400-E433 WeakPolarHBondContact CE-OE2 3.22Å; K400-E433 IonicContact NZ-OE2 2.64Å; K400-E433 PolarHBondContact NZ-OE2 2.87Å; L429-E433 WeakPolarHBondContact O-CB 3.45Å; L429-E433 PolarHBondContact O-N 3.39Å; A430-E433 PolarHBondContact O-N 2.84Å; E433-W436 PolarHBondContact O-N 3.25Å; E433-R437 WeakPolarHBondContact O-CG 3.35Å; E433-R437 PolarHBondContact O-N 2.91Å; E433-R437 IonicContact OE1-CZ 2.92Å; E433-R437 IonicContact OE1-NH1 3.16Å; E433-R437 PolarHBondContact OE1-NH1 2.92Å; E433-R437 IonicContact OE1-NH2 3.18Å; E433-R437 PolarHBondContact OE1-NH2 3.45Å; E433-Q575 PolarHBondContact OE1-OE1 2.86Å
434V98.8Very high98.1Very high0 Ų032.5 Ų32.50%015%0.145CC..Hα-helixtrans-64.3-44.7178170.30000111.8I393 F396 A430 L431 R437 A438 L541I393-V434 HydrophobicContact CD1-CB 4.32Å; I393-V434 HydrophobicContact CD1-CG1 4.42Å; I393-V434 HydrophobicContact CD1-CG2 3.9Å; F396-V434 HydrophobicContact CB-CG2 4.28Å; F396-V434 HydrophobicContact CD1-CG2 4.44Å; F396-V434 HydrophobicContact CD2-CG2 3.36Å; F396-V434 HydrophobicContact CE2-CG2 3.7Å; F396-V434 HydrophobicContact CG-CG2 3.78Å; F396-V434 HydrophobicContact CZ-CG2 4.38Å; A430-V434 WeakPolarHBondContact O-CG2 3.05Å; A430-V434 PolarHBondContact O-N 2.96Å; A430-V434 VanDerWaalsContact O-N 3.1Å; L431-V434 PolarHBondContact O-N 2.87Å; V434-R437 PolarHBondContact O-N 3.48Å; V434-A438 PolarHBondContact O-N 3.2Å; V434-A438 VanDerWaalsContact O-N 3.07Å; V434-L541 HydrophobicContact CG1-CB 4.18Å; V434-L541 HydrophobicContact CG1-CD2 3.61Å
435L98.9Very high98.2Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-68.4-39178.1-67.7-179.1000112.6L431 A432 R437 A438 G439 A444 V446 L481 L485 L502 S505 A506L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 VanDerWaalsContact O-CG 3.29Å; L431-L435 WeakPolarHBondContact O-CG 3.37Å; L431-L435 PolarHBondContact O-N 3.27Å; A432-L435 PolarHBondContact O-N 2.85Å; L435-R437 VanDerWaalsContact C-N 3.34Å; L435-R437 PolarHBondContact O-N 3.05Å; L435-A438 PolarHBondContact O-N 2.92Å; L435-G439 PolarHBondContact O-N 3.4Å; L435-A444 HydrophobicContact CB-CB 4.23Å; L435-V446 HydrophobicContact CD1-CG2 4.42Å; L435-L481 HydrophobicContact CB-CD1 4.4Å; L435-L481 HydrophobicContact CB-CD2 4.28Å; L435-L481 HydrophobicContact CD1-CD1 4.29Å; L435-L485 HydrophobicContact CD1-CD1 4.43Å; L435-L485 HydrophobicContact CD1-CD2 4.35Å; L435-L502 HydrophobicContact CD2-CD1 3.94Å; L435-L502 HydrophobicContact CG-CD1 4.17Å; L435-S505 VanDerWaalsContact CD2-CB 3.45Å; L435-A506 HydrophobicContact CD2-CB 3.94Å; L435-A506 VanDerWaalsContact CD2-N 3.26Å
436W98.7Very high98.3Very high37 Ų3725.8 Ų25.814%0.1412%0.118CC..Hα-helixtrans-63.6-39175.8-165.2-112.8000111.8A432 E433 G439 E441 K442 A444 D476 V478 L481A432-W436 WeakPolarHBondContact O-CB 3.44Å; A432-W436 PolarHBondContact O-N 3.44Å; E433-W436 PolarHBondContact O-N 3.25Å; W436-G439 CarbonylContact O-C 3.57Å; W436-G439 PolarHBondContact O-N 2.67Å; W436-E441 VanDerWaalsContact CE2-C 3.47Å; W436-E441 VanDerWaalsContact CZ2-C 3.49Å; W436-E441 WeakPolarHBondContact CZ2-O 3.2Å; W436-E441 PolarHBondContact NE1-O 2.91Å; W436-E441 VanDerWaalsContact O-CA 3.29Å; W436-E441 WeakPolarHBondContact O-CA 3.49Å; W436-E441 PolarHBondContact O-N 2.77Å; W436-K442 VanDerWaalsContact CH2-C 3.42Å; W436-K442 WeakPolarHBondContact CH2-O 3.04Å; W436-A444 HydrophobicContact CE3-CB 4.14Å; W436-D476 WeakPolarHBondContact CH2-O 3.31Å; W436-V478 HydrophobicContact CB-CG2 4.44Å; W436-V478 HydrophobicContact CD2-CB 3.9Å; W436-V478 HydrophobicContact CD2-CG2 4.17Å; W436-V478 HydrophobicContact CE3-CB 4.25Å; W436-V478 HydrophobicContact CG-CB 4.27Å; W436-V478 HydrophobicContact CG-CG2 4.04Å; W436-V478 HydrophobicContact CZ2-CB 4.34Å; W436-L481 HydrophobicContact CB-CD2 3.94Å; W436-L481 HydrophobicContact CE3-CD2 4.06Å
437R97.9Very high98.4Very high45 Ų4525.8 Ų25.817%0.1712%0.118CC..Hα-helixtrans-64.8-44.8172.7-77.1-150.1161.781.239.2113.5E433 V434 L435 G439 E440 E441 Q575E433-R437 WeakPolarHBondContact O-CG 3.35Å; E433-R437 PolarHBondContact O-N 2.91Å; E433-R437 IonicContact OE1-CZ 2.92Å; E433-R437 IonicContact OE1-NH1 3.16Å; E433-R437 PolarHBondContact OE1-NH1 2.92Å; E433-R437 IonicContact OE1-NH2 3.18Å; E433-R437 PolarHBondContact OE1-NH2 3.45Å; V434-R437 PolarHBondContact O-N 3.48Å; L435-R437 VanDerWaalsContact C-N 3.34Å; L435-R437 PolarHBondContact O-N 3.05Å; R437-G439 PolarHBondContact O-N 3.04Å; R437-E440 PolarHBondContact O-N 2.96Å; R437-E441 HydrophobicContact CG-CG 4.38Å; R437-E441 IonicContact CZ-OE1 3.91Å; R437-E441 IonicContact NE-OE1 2.85Å; R437-E441 PolarHBondContact NE-OE1 3.31Å; R437-E441 VanDerWaalsContact NE-OE1 3.16Å; R437-E441 IonicContact NH2-OE1 3.76Å; R437-E441 PolarHBondContact NH2-OE1 3.49Å; R437-Q575 VanDerWaalsContact NH2-NE2 3.16Å
438A98.5Very high98.3Very high0 Ų026.4 Ų26.40%012%0.121CC..Hα-helixtrans-57.1-36.4178.200000111.9V434 L435 E440 A506 R510 L540V434-A438 PolarHBondContact O-N 3.2Å; V434-A438 VanDerWaalsContact O-N 3.07Å; L435-A438 PolarHBondContact O-N 2.92Å; A438-E440 VanDerWaalsContact C-N 3.31Å; A438-E440 PolarHBondContact O-N 3.3Å; A438-A506 HydrophobicContact CB-CB 4.42Å; A438-R510 HydrophobicContact CB-CB 4.45Å; A438-R510 WeakPolarHBondContact O-CA 3.47Å; A438-R510 WeakPolarHBondContact O-CB 3.34Å; A438-R510 WeakPolarHBondContact O-CD 3.34Å; A438-L540 HydrophobicContact CB-CD1 4.28Å
439G98.3Very high98.1Very high4 Ų428.1 Ų28.14%0.04113%0.13CC..THydrogen-bonded Turntrans-88.431.3172.200000116L435 W436 R437 E441 K442 Q443 S509L435-G439 PolarHBondContact O-N 3.4Å; W436-G439 CarbonylContact O-C 3.57Å; W436-G439 PolarHBondContact O-N 2.67Å; R437-G439 PolarHBondContact O-N 3.04Å; G439-E441 PolarHBondContact O-N 2.83Å; G439-K442 PolarHBondContact O-N 3.5Å; G439-K442 VanDerWaalsContact O-N 3.11Å; G439-Q443 VanDerWaalsContact CA-O 3.28Å; G439-Q443 WeakPolarHBondContact CA-O 3.37Å; G439-Q443 PolarHBondContact O-N 3.44Å; G439-S509 VanDerWaalsContact CA-O 3.28Å; G439-S509 WeakPolarHBondContact CA-O 3.12Å
440E97.6Very high97.8Very high64 Ų6428.8 Ų28.830%0.29914%0.137SC..THydrogen-bonded Turntrans57.429.4175.1-58.1176.9-164.900114.8R437 A438 K442 R510 K514R437-E440 PolarHBondContact O-N 2.96Å; A438-E440 VanDerWaalsContact C-N 3.31Å; A438-E440 PolarHBondContact O-N 3.3Å; E440-K442 HydrophobicContact CB-CD 4.04Å; E440-K442 WeakPolarHBondContact O-CE 3.49Å; E440-K442 WeakPolarHBondContact O-CG 3.47Å; E440-K442 PolarHBondContact O-N 2.96Å; E440-K442 IonicContact OE2-NZ 3.4Å; E440-K442 PolarHBondContact OE2-NZ 3.45Å; E440-R510 IonicContact OE1-CZ 3.83Å; E440-R510 IonicContact OE1-NH1 3.46Å; E440-R510 PolarHBondContact OE1-NH1 3.23Å; E440-K514 IonicContact OE1-NZ 2.7Å; E440-K514 PolarHBondContact OE1-NZ 3.44Å; E440-K514 IonicContact OE2-NZ 2.82Å
441E97.4Very high97.3Very high100 Ų10031 Ų3147%0.46716%0.16SC..THydrogen-bonded Turntrans56.127.4-174.9-55.9-169.7171.100113.7W436 R437 G439W436-E441 VanDerWaalsContact CE2-C 3.47Å; W436-E441 VanDerWaalsContact CZ2-C 3.49Å; W436-E441 WeakPolarHBondContact CZ2-O 3.2Å; W436-E441 PolarHBondContact NE1-O 2.91Å; W436-E441 VanDerWaalsContact O-CA 3.29Å; W436-E441 WeakPolarHBondContact O-CA 3.49Å; W436-E441 PolarHBondContact O-N 2.77Å; R437-E441 HydrophobicContact CG-CG 4.38Å; R437-E441 IonicContact CZ-OE1 3.91Å; R437-E441 IonicContact NE-OE1 2.85Å; R437-E441 PolarHBondContact NE-OE1 3.31Å; R437-E441 VanDerWaalsContact NE-OE1 3.16Å; R437-E441 IonicContact NH2-OE1 3.76Å; R437-E441 PolarHBondContact NH2-OE1 3.49Å; G439-E441 PolarHBondContact O-N 2.83Å
442K97.5Very high96.8Very high132 Ų13238.5 Ų38.557%0.57419%0.189SC*.THydrogen-bonded Turntrans-121.3-30.8179.6-64155.8-157.6169.60113.4W436 G439 E440W436-K442 VanDerWaalsContact CH2-C 3.42Å; W436-K442 WeakPolarHBondContact CH2-O 3.04Å; G439-K442 PolarHBondContact O-N 3.5Å; G439-K442 VanDerWaalsContact O-N 3.11Å; E440-K442 HydrophobicContact CB-CD 4.04Å; E440-K442 WeakPolarHBondContact O-CE 3.49Å; E440-K442 WeakPolarHBondContact O-CG 3.47Å; E440-K442 PolarHBondContact O-N 2.96Å; E440-K442 IonicContact OE2-NZ 3.4Å; E440-K442 PolarHBondContact OE2-NZ 3.45Å
443Q97.7Very high96.4Very high95 Ų9542.5 Ų42.544%0.44422%0.216SC..  trans-151.6167.4-177.963.5178.99.300110.8G439 V475G439-Q443 VanDerWaalsContact CA-O 3.28Å; G439-Q443 WeakPolarHBondContact CA-O 3.37Å; G439-Q443 PolarHBondContact O-N 3.44Å; Q443-V475 CarbonylContact C-O 3.39Å; Q443-V475 WeakPolarHBondContact CA-O 3.31Å; Q443-V475 WeakPolarHBondContact CB-O 3.42Å
444A98.4Very high96.1Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-150.1161.416700000110.9L435 W436 S474 V475 L481L435-A444 HydrophobicContact CB-CB 4.23Å; W436-A444 HydrophobicContact CE3-CB 4.14Å; A444-S474 WeakPolarHBondContact O-CA 3.38Å; A444-V475 HydrophobicContact CB-CG2 4.29Å; A444-V475 PolarHBondContact N-O 3.01Å; A444-V475 PolarHBondContact O-N 2.91Å; A444-L481 HydrophobicContact CB-CD1 3.78Å; A444-L481 HydrophobicContact CB-CD2 3.61Å; A444-L481 HydrophobicContact CB-CG 4.22Å
445V98.5Very high95.7Very high13 Ų1345.8 Ų45.88%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-124.1128172.2-179.10000109.1C472 F473 S505 L508 S509V445-C472 HydrophobicContact CG1-CB 3.83Å; V445-F473 CarbonylContact C-O 3.09Å; V445-F473 VanDerWaalsContact CA-O 3.26Å; V445-F473 WeakPolarHBondContact CA-O 3.39Å; V445-S505 WeakPolarHBondContact O-CA 3.41Å; V445-S505 WeakPolarHBondContact O-CB 3.35Å; V445-L508 HydrophobicContact CB-CB 3.82Å; V445-L508 HydrophobicContact CG1-CB 3.78Å; V445-L508 HydrophobicContact CG1-CD1 4.07Å; V445-L508 HydrophobicContact CG2-CB 4.06Å; V445-S509 PolarHBondContact N-OG 3.14Å; V445-S509 PolarHBondContact O-OG 2.77Å
446V98.6Very high95.2Very high0 Ų051.6 Ų51.60%027%0.267CS..EExtended strand (participates in β ladder)trans-108118.3172.6-173.70000109.4L435 I448 C472 F473 L481 I484 L485 Y492L435-V446 HydrophobicContact CD1-CG2 4.42Å; V446-I448 HydrophobicContact CG1-CG2 4.4Å; V446-C472 CarbonylContact O-C 3.54Å; V446-C472 WeakPolarHBondContact O-CA 3.15Å; V446-F473 PolarHBondContact N-O 3.04Å; V446-F473 PolarHBondContact O-N 3.3Å; V446-L481 HydrophobicContact CG2-CD1 3.34Å; V446-I484 HydrophobicContact CB-CG2 3.93Å; V446-I484 HydrophobicContact CG1-CG2 3.97Å; V446-I484 HydrophobicContact CG2-CB 4.47Å; V446-I484 HydrophobicContact CG2-CG2 4.07Å; V446-L485 HydrophobicContact CG1-CD2 3.91Å; V446-L485 HydrophobicContact CG1-CG 4.46Å; V446-L485 HydrophobicContact CG2-CD2 4.32Å; V446-L485 HydrophobicContact CG2-CG 4.19Å; V446-Y492 HydrophobicContact CG1-CE2 4.44Å
447A98.2Very high94.5Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-90.6137.9172.400000111M470 T471 Y492 V504 S505A447-M470 HydrophobicContact CB-CE 4.5Å; A447-M470 HydrophobicContact CB-CG 4.1Å; A447-M470 HydrophobicContact CB-SD 3.83Å; A447-T471 WeakPolarHBondContact CA-O 3.47Å; A447-Y492 PolarHBondContact O-OH 3.4Å; A447-V504 HydrophobicContact CB-CG1 4.24Å; A447-S505 WeakPolarHBondContact CB-OG 3.31Å; A447-S505 PolarHBondContact N-OG 2.92Å
448I97.1Very high93.8Very high13 Ų1355.9 Ų55.97%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-131.815917268.6161000110.6V446 M470 T471 F473 H488V446-I448 HydrophobicContact CG1-CG2 4.4Å; I448-M470 VanDerWaalsContact O-CA 3.32Å; I448-M470 WeakPolarHBondContact O-CA 3.43Å; I448-T471 PolarHBondContact N-O 3.3Å; I448-T471 PolarHBondContact O-N 3.46Å; I448-F473 HydrophobicContact CD1-CE2 3.72Å; I448-F473 HydrophobicContact CD1-CZ 4.18Å; I448-F473 HydrophobicContact CG1-CE2 3.87Å; I448-F473 HydrophobicContact CG2-CE2 4.29Å; I448-H488 HydrophobicContact CG2-CB 3.86Å
449N94.6Very high93.1Very high38 Ų3859 Ų5920%0.20333%0.327CS..EExtended strand (participates in β ladder)trans-84.7118.2163.5-164.7-29.9000109.2G451 K469 Q491N449-G451 PolarHBondContact OD1-N 2.83Å; N449-K469 WeakPolarHBondContact OD1-CB 3.44Å; N449-Q491 PolarHBondContact O-NE2 2.99Å; N449-Q491 PolarHBondContact O-OE1 3.38Å
450S92Very high92.5Very high41 Ų4166 Ų6629%0.28736%0.358SS..  trans-84.7-11.8177.779.20000113R452 H454 K469S450-R452 PolarHBondContact O-N 2.96Å; S450-R452 VanDerWaalsContact O-N 3.11Å; S450-R452 PolarHBondContact OG-N 3.1Å; S450-R452 VanDerWaalsContact OG-N 3.1Å; S450-R452 PolarHBondContact OG-O 2.89Å; S450-H454 PolarHBondContact OG-CE1 3.44Å; S450-H454 VanDerWaalsContact OG-CE1 3.29Å; S450-H454 PolarHBondContact OG-NE2 2.95Å; S450-K469 PolarHBondContact N-O 2.97Å; S450-K469 PolarHBondContact OG-O 3.22Å; S450-K469 VanDerWaalsContact OG-O 3.13Å
451G88.7Confident92.1Very high47 Ų4763.6 Ų63.649%0.48535%0.346SS..SBendtrans72.5-16.6-17000000115.1N449N449-G451 PolarHBondContact OD1-N 2.83Å
452R88.6Confident91.7Very high157 Ų15766 Ų6659%0.59235%0.351SS*.SBendtrans-102.1132.3-173.2-65.4178.5169.3-160.4-8.6110.8S450 H454 K469S450-R452 PolarHBondContact O-N 2.96Å; S450-R452 VanDerWaalsContact O-N 3.11Å; S450-R452 PolarHBondContact OG-N 3.1Å; S450-R452 VanDerWaalsContact OG-N 3.1Å; S450-R452 PolarHBondContact OG-O 2.89Å; R452-H454 PolarHBondContact O-CD2 2.91Å; R452-H454 PolarHBondContact O-N 3.33Å; R452-H454 PolarHBondContact O-NE2 3.44Å; R452-K469 WeakPolarHBondContact O-CA 3.1Å
453S90.8Very high91.2Very high85 Ų8562.8 Ų62.859%0.59435%0.345SS*.  trans-72.2123.5177.1-145.60000110.6F455 E468S453-F455 PolarHBondContact OG-O 3.42Å; S453-E468 CarbonylContact C-O 3.56Å; S453-E468 WeakPolarHBondContact CA-O 3.43Å
454H90.9Very high90.7Very high64 Ų6460.2 Ų60.230%0.29633%0.334SS..  trans-94.2-27.7-178.4-59.2-60.6000113P337 S450 R452 E468 M470 T471P337-H454 HydrophobicContact CB-CB 3.88Å; S450-H454 PolarHBondContact OG-CE1 3.44Å; S450-H454 VanDerWaalsContact OG-CE1 3.29Å; S450-H454 PolarHBondContact OG-NE2 2.95Å; R452-H454 PolarHBondContact O-CD2 2.91Å; R452-H454 PolarHBondContact O-N 3.33Å; R452-H454 PolarHBondContact O-NE2 3.44Å; H454-E468 PolarHBondContact CD2-O 3.44Å; H454-E468 PolarHBondContact N-O 3.33Å; H454-M470 PolarHBondContact CD2-O 2.74Å; H454-M470 PolarHBondContact NE2-O 2.98Å; H454-T471 PolarHBondContact CE1-OG1 2.97Å; H454-T471 PolarHBondContact NE2-OG1 2.82Å; H454-T471 VanDerWaalsContact NE2-OG1 3.1Å
455F91.3Very high90.1Very high27 Ų2761.3 Ų61.312%0.11835%0.345CS..SBendtrans-140.9166.8172.165.7-88000111.3M338 H340 A343 S453 Y461 F467 E468M338-F455 HydrophobicContact CG-CE1 4.19Å; M338-F455 VanDerWaalsContact O-CD1 3.29Å; M338-F455 WeakPolarHBondContact O-CD1 3Å; H340-F455 HydrophobicContact CB-CD2 3.74Å; H340-F455 HydrophobicContact CB-CE2 3.97Å; H340-F455 HydrophobicContact CB-CG 4.18Å; H340-F455 AromaticContact CD2-CE2 3.91Å; A343-F455 HydrophobicContact CB-CE1 4.06Å; A343-F455 HydrophobicContact CB-CZ 3.55Å; S453-F455 PolarHBondContact OG-O 3.42Å; F455-Y461 HydrophobicContact CE2-CE1 4.18Å; F455-F467 HydrophobicContact CZ-CB 4.45Å; F455-E468 HydrophobicContact CD2-CG 4.49Å; F455-E468 HydrophobicContact CE1-CB 4.46Å; F455-E468 HydrophobicContact CE1-CG 4.44Å; F455-E468 HydrophobicContact CE2-CG 3.93Å; F455-E468 HydrophobicContact CZ-CB 4.4Å; F455-E468 HydrophobicContact CZ-CG 3.9Å
456T87.7Confident89.7Confident122 Ų12260.8 Ų60.875%0.74834%0.342SS*.  trans-101.5135.5170-57.40000109F458T456-F458 WeakPolarHBondContact O-CD1 3.25Å
457A84.1Confident89.6Confident36 Ų3660.8 Ų60.830%0.29834%0.342SS..  trans-65.2131.7177.300000112.7Y461A457-Y461 HydrophobicContact CB-CD1 3.66Å; A457-Y461 HydrophobicContact CB-CE1 3.84Å
458F83.4Confident89.4Confident135 Ų13561 Ų6159%0.59234%0.342SS*.  trans-145164.9172.665.7-92.1000112.2H340 T456H340-F458 HydrophobicContact CB-CE1 3.97Å; H340-F458 HydrophobicContact CB-CZ 4.31Å; H340-F458 AromaticContact CD2-CD1 3.79Å; H340-F458 AromaticContact CD2-CE1 3.64Å; H340-F458 AromaticContact CE1-CD2 3.87Å; H340-F458 AromaticContact CE1-CE1 3.85Å; H340-F458 AromaticContact CE1-CE2 3.47Å; H340-F458 VanDerWaalsContact CE1-CE2 3.47Å; H340-F458 WeakPolarHBondContact CE1-CE2 3.45Å; H340-F458 AromaticContact CE1-CZ 3.46Å; H340-F458 VanDerWaalsContact CE1-CZ 3.46Å; H340-F458 WeakPolarHBondContact CE1-CZ 3.35Å; H340-F458 AromaticContact CG-CE1 3.51Å; H340-F458 AromaticContact CG-CZ 3.67Å; H340-F458 AromaticContact ND1-CE1 3.66Å; H340-F458 AromaticContact ND1-CE2 3.77Å; H340-F458 AromaticContact ND1-CZ 3.29Å; H340-F458 VanDerWaalsContact ND1-CZ 3.29Å; H340-F458 WeakPolarHBondContact ND1-CZ 3.15Å; H340-F458 AromaticContact NE2-CD1 3.84Å; H340-F458 AromaticContact NE2-CD2 3.97Å; H340-F458 AromaticContact NE2-CE1 3.85Å; H340-F458 AromaticContact NE2-CE2 3.98Å; H340-F458 AromaticContact NE2-CG 3.9Å; H340-F458 AromaticContact NE2-CZ 3.92Å; H340-F458 PolarHBondContact NE2-O 3.16Å; T456-F458 WeakPolarHBondContact O-CD1 3.25Å
459G84.8Confident89.3Confident66 Ų6663.9 Ų63.968%0.6836%0.355SS*.SBendtrans66.9-146.7176.600000114Y461G459-Y461 PolarHBondContact O-N 2.85Å
460H83.9Confident89.4Confident151 Ų15162.1 Ų62.170%0.69935%0.345SS*.SBendtrans-79.545.3-179.6-62.1-67.7000113.4G354 L355G354-H460 CarbonylContact C-O 3.58Å; L355-H460 HydrophobicContact CD2-CB 4.43Å
461Y89.3Confident89.7Confident13 Ų1360.9 Ų60.95%0.05134%0.336CS..  trans-125.1123.2179.4173.9-86.6000110.1A343 K347 G354 F455 A457 G459 E468A343-Y461 HydrophobicContact CB-CE2 3.98Å; K347-Y461 HydrophobicContact CD-CD2 4.08Å; K347-Y461 HydrophobicContact CD-CE2 3.7Å; K347-Y461 HydrophobicContact CG-CE2 4.35Å; G354-Y461 WeakPolarHBondContact O-CA 3.26Å; F455-Y461 HydrophobicContact CE2-CE1 4.18Å; A457-Y461 HydrophobicContact CB-CD1 3.66Å; A457-Y461 HydrophobicContact CB-CE1 3.84Å; G459-Y461 PolarHBondContact O-N 2.85Å; Y461-E468 WeakPolarHBondContact CE1-OE1 3.35Å; Y461-E468 PolarHBondContact OH-OE1 2.76Å; Y461-E468 PolarHBondContact OH-OE2 2.88Å
462R89.6Confident90.1Very high150 Ų15059.2 Ų59.257%0.56632%0.317SS*.  trans-90117.5175.2-180177.6-77.5-123.10.6109.7K347 G354 L355 C357K347-R462 PolarHBondContact NZ-O 3.42Å; G354-R462 PolarHBondContact O-N 2.99Å; L355-R462 WeakPolarHBondContact O-CB 3.46Å; L355-R462 WeakPolarHBondContact O-CD 3.46Å; L355-R462 PolarHBondContact O-NE 2.88Å; C357-R462 WeakPolarHBondContact SG-CD 3.38Å
463S87.1Confident90.5Very high65 Ų6553 Ų5346%0.45529%0.294SS..  trans-71.3144.5179.8-166.30000113.1E468S463-E468 WeakPolarHBondContact CA-OE1 3.38Å; S463-E468 WeakPolarHBondContact CB-OE1 3.19Å; S463-E468 PolarHBondContact OG-OE1 3.02Å
464E86.3Confident90.8Very high42 Ų4252.4 Ų52.420%0.19629%0.29CS..  trans-133.7-5.9175-66.1-176.6101.300113.3K347 C357 F358 K363 L466 E468K347-E464 WeakPolarHBondContact CE-OE2 3.1Å; K347-E464 IonicContact NZ-OE2 2.77Å; K347-E464 PolarHBondContact NZ-OE2 2.64Å; C357-E464 VanDerWaalsContact CA-OE1 3.31Å; C357-E464 WeakPolarHBondContact CA-OE1 3.43Å; C357-E464 WeakPolarHBondContact CB-OE1 3.4Å; C357-E464 PolarHBondContact SG-OE1 3.39Å; F358-E464 PolarHBondContact N-OE1 3.34Å; K363-E464 WeakPolarHBondContact CE-OE1 3.42Å; K363-E464 IonicContact NZ-OE1 3.53Å; K363-E464 PolarHBondContact NZ-OE1 2.91Å; E464-L466 VanDerWaalsContact C-N 3.31Å; E464-L466 HydrophobicContact CB-CB 4.48Å; E464-E468 PolarHBondContact N-OE1 3.15Å; E464-E468 VanDerWaalsContact N-OE1 3.14Å
465G86.3Confident91.1Very high23 Ų2349.8 Ų49.824%0.23728%0.278CS..SBendtrans69.627.4-175.600000113.6E468 K469G465-E468 VanDerWaalsContact CA-OE2 3.24Å; G465-E468 WeakPolarHBondContact CA-OE2 3.35Å; G465-E468 PolarHBondContact N-OE2 3.46Å; G465-K469 VanDerWaalsContact O-CD 3.3Å; G465-K469 WeakPolarHBondContact O-CD 3.41Å
466L91.6Very high91.4Very high2 Ų254.9 Ų54.91%0.0131%0.307CS..SBendtrans-112-72.8-177.5174.855.4000110.8F358 E464 E468 K469 M470 F497 I500F358-L466 HydrophobicContact CD2-CD2 3.87Å; F358-L466 HydrophobicContact CE2-CD2 3.94Å; E464-L466 VanDerWaalsContact C-N 3.31Å; E464-L466 HydrophobicContact CB-CB 4.48Å; L466-E468 PolarHBondContact N-OE2 3.13Å; L466-E468 PolarHBondContact O-N 3.29Å; L466-K469 CarbonylContact O-C 3.51Å; L466-K469 PolarHBondContact O-N 3.47Å; L466-M470 HydrophobicContact CD1-CE 4.36Å; L466-M470 PolarHBondContact O-N 2.86Å; L466-F497 HydrophobicContact CD1-CB 3.9Å; L466-F497 HydrophobicContact CD1-CD1 3.9Å; L466-F497 HydrophobicContact CD1-CD2 3.82Å; L466-F497 HydrophobicContact CD1-CE1 4.38Å; L466-F497 HydrophobicContact CD1-CE2 4.32Å; L466-F497 HydrophobicContact CD1-CG 3.6Å; L466-F497 HydrophobicContact CD2-CD1 3.91Å; L466-F497 HydrophobicContact CD2-CE1 4.39Å; L466-F497 HydrophobicContact CD2-CG 4.37Å; L466-F497 HydrophobicContact CG-CD1 4.45Å; L466-I500 HydrophobicContact CD2-CD1 4.01Å; L466-I500 HydrophobicContact CD2-CG2 4.09Å
467F94.7Very high91.8Very high0 Ų051.7 Ų51.70%029%0.285CS..G310 helixtrans-62.5-33.3176.2-69-69.8000111.7M338 A343 L346 K347 L350 F358 F455 K469 M470 V504M338-F467 WeakPolarHBondContact CB-O 3.19Å; M338-F467 HydrophobicContact CE-CD1 4.47Å; M338-F467 HydrophobicContact CG-CB 4.3Å; M338-F467 WeakPolarHBondContact CG-O 3.24Å; A343-F467 HydrophobicContact CB-CB 3.67Å; A343-F467 HydrophobicContact CB-CG 4.07Å; L346-F467 HydrophobicContact CB-CE1 3.91Å; L346-F467 HydrophobicContact CB-CZ 4.07Å; L346-F467 HydrophobicContact CD1-CD1 4.24Å; L346-F467 HydrophobicContact CD1-CE1 3.86Å; K347-F467 HydrophobicContact CD-CE2 4.35Å; K347-F467 HydrophobicContact CG-CD2 4.02Å; K347-F467 HydrophobicContact CG-CE2 3.52Å; K347-F467 HydrophobicContact CG-CZ 4.38Å; L350-F467 HydrophobicContact CD1-CZ 4.3Å; F358-F467 AromaticContact CE2-CE2 3.69Å; F358-F467 HydrophobicContact CE2-CE2 3.69Å; F358-F467 AromaticContact CE2-CZ 3.88Å; F358-F467 HydrophobicContact CE2-CZ 3.88Å; F358-F467 HydrophobicContact CZ-CE2 4.32Å; F358-F467 HydrophobicContact CZ-CZ 4.08Å; F455-F467 HydrophobicContact CZ-CB 4.45Å; F467-K469 PolarHBondContact O-N 3.41Å; F467-K469 VanDerWaalsContact O-N 3.15Å; F467-M470 HydrophobicContact CD1-CE 4.05Å; F467-M470 HydrophobicContact CD1-SD 4.02Å; F467-M470 HydrophobicContact CE1-CE 4.3Å; F467-M470 HydrophobicContact CE1-SD 4.41Å; F467-M470 WeakPolarHBondContact O-CB 3Å; F467-M470 PolarHBondContact O-N 3.08Å; F467-M470 VanDerWaalsContact O-N 3.11Å; F467-V504 HydrophobicContact CE1-CG1 4.47Å; F467-V504 HydrophobicContact CE1-CG2 3.71Å; F467-V504 HydrophobicContact CZ-CG2 4.18Å
468E94.8Very high92.4Very high3 Ų352.3 Ų52.31%0.01429%0.285CS..G310 helixtrans-58.2-26.2174.6-55.484.9166.600112S453 H454 F455 Y461 S463 E464 G465 L466S453-E468 CarbonylContact C-O 3.56Å; S453-E468 WeakPolarHBondContact CA-O 3.43Å; H454-E468 PolarHBondContact CD2-O 3.44Å; H454-E468 PolarHBondContact N-O 3.33Å; F455-E468 HydrophobicContact CD2-CG 4.49Å; F455-E468 HydrophobicContact CE1-CB 4.46Å; F455-E468 HydrophobicContact CE1-CG 4.44Å; F455-E468 HydrophobicContact CE2-CG 3.93Å; F455-E468 HydrophobicContact CZ-CB 4.4Å; F455-E468 HydrophobicContact CZ-CG 3.9Å; Y461-E468 WeakPolarHBondContact CE1-OE1 3.35Å; Y461-E468 PolarHBondContact OH-OE1 2.76Å; Y461-E468 PolarHBondContact OH-OE2 2.88Å; S463-E468 WeakPolarHBondContact CA-OE1 3.38Å; S463-E468 WeakPolarHBondContact CB-OE1 3.19Å; S463-E468 PolarHBondContact OG-OE1 3.02Å; E464-E468 PolarHBondContact N-OE1 3.15Å; E464-E468 VanDerWaalsContact N-OE1 3.14Å; G465-E468 VanDerWaalsContact CA-OE2 3.24Å; G465-E468 WeakPolarHBondContact CA-OE2 3.35Å; G465-E468 PolarHBondContact N-OE2 3.46Å; L466-E468 PolarHBondContact N-OE2 3.13Å; L466-E468 PolarHBondContact O-N 3.29Å
469K95.4Very high93Very high74 Ų7452.9 Ų52.932%0.32229%0.287SS..G310 helixtrans-11015.3-179.4-55.8-177.7-175177.30113.2N449 S450 R452 G465 L466 F467N449-K469 WeakPolarHBondContact OD1-CB 3.44Å; S450-K469 PolarHBondContact N-O 2.97Å; S450-K469 PolarHBondContact OG-O 3.22Å; S450-K469 VanDerWaalsContact OG-O 3.13Å; R452-K469 WeakPolarHBondContact O-CA 3.1Å; G465-K469 VanDerWaalsContact O-CD 3.3Å; G465-K469 WeakPolarHBondContact O-CD 3.41Å; L466-K469 CarbonylContact O-C 3.51Å; L466-K469 PolarHBondContact O-N 3.47Å; F467-K469 PolarHBondContact O-N 3.41Å; F467-K469 VanDerWaalsContact O-N 3.15Å
470M96.6Very high93.5Very high1 Ų151.5 Ų51.51%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-91.9132.7-174.6-171.8170.6-71.100111.7M338 A447 I448 H454 L466 F467 L501 V504M338-M470 HydrophobicContact CB-CB 3.87Å; M338-M470 HydrophobicContact CB-CG 4.47Å; M338-M470 WeakPolarHBondContact CB-O 3.44Å; M338-M470 HydrophobicContact CE-CG 4.22Å; M338-M470 HydrophobicContact CE-SD 3.67Å; M338-M470 HydrophobicContact CG-CB 4.39Å; M338-M470 PolarHBondContact N-O 3.25Å; A447-M470 HydrophobicContact CB-CE 4.5Å; A447-M470 HydrophobicContact CB-CG 4.1Å; A447-M470 HydrophobicContact CB-SD 3.83Å; I448-M470 VanDerWaalsContact O-CA 3.32Å; I448-M470 WeakPolarHBondContact O-CA 3.43Å; H454-M470 PolarHBondContact CD2-O 2.74Å; H454-M470 PolarHBondContact NE2-O 2.98Å; L466-M470 HydrophobicContact CD1-CE 4.36Å; L466-M470 PolarHBondContact O-N 2.86Å; F467-M470 HydrophobicContact CD1-CE 4.05Å; F467-M470 HydrophobicContact CD1-SD 4.02Å; F467-M470 HydrophobicContact CE1-CE 4.3Å; F467-M470 HydrophobicContact CE1-SD 4.41Å; F467-M470 WeakPolarHBondContact O-CB 3Å; F467-M470 PolarHBondContact O-N 3.08Å; F467-M470 VanDerWaalsContact O-N 3.11Å; M470-L501 HydrophobicContact CE-CD2 3.96Å; M470-V504 HydrophobicContact CE-CG1 4.4Å; M470-V504 HydrophobicContact CE-CG2 4.44Å; M470-V504 HydrophobicContact SD-CB 4.39Å; M470-V504 HydrophobicContact SD-CG1 3.65Å
471T97.2Very high94.2Very high16 Ų1644.3 Ų44.310%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-116.2137.6167.6-64.30000108.7A447 I448 H454 F473A447-T471 WeakPolarHBondContact CA-O 3.47Å; I448-T471 PolarHBondContact N-O 3.3Å; I448-T471 PolarHBondContact O-N 3.46Å; H454-T471 PolarHBondContact CE1-OG1 2.97Å; H454-T471 PolarHBondContact NE2-OG1 2.82Å; H454-T471 VanDerWaalsContact NE2-OG1 3.1Å; T471-F473 HydrophobicContact CG2-CE2 4.36Å; T471-F473 HydrophobicContact CG2-CZ 4.28Å
472C97.6Very high94.6Very high12 Ų1246.7 Ų46.78%0.08124%0.243CC..EExtended strand (participates in β ladder)trans-118.3131.2-179.2-61.60000111.1R336 V445 V446R336-C472 PolarHBondContact N-O 3.21Å; R336-C472 PolarHBondContact O-N 2.98Å; V445-C472 HydrophobicContact CG1-CB 3.83Å; V446-C472 CarbonylContact O-C 3.54Å; V446-C472 WeakPolarHBondContact O-CA 3.15Å
473F97.9Very high95Very high27 Ų2741.9 Ų41.912%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-105.7121.3172.9-55.7-90.8000109.6F333 G335 V445 V446 I448 T471 I484F333-F473 HydrophobicContact CB-CD1 3.9Å; F333-F473 HydrophobicContact CB-CE1 4.48Å; F333-F473 WeakPolarHBondContact O-CE1 3.26Å; G335-F473 VanDerWaalsContact CA-CE1 3.44Å; V445-F473 CarbonylContact C-O 3.09Å; V445-F473 VanDerWaalsContact CA-O 3.26Å; V445-F473 WeakPolarHBondContact CA-O 3.39Å; V446-F473 PolarHBondContact N-O 3.04Å; V446-F473 PolarHBondContact O-N 3.3Å; I448-F473 HydrophobicContact CD1-CE2 3.72Å; I448-F473 HydrophobicContact CD1-CZ 4.18Å; I448-F473 HydrophobicContact CG1-CE2 3.87Å; I448-F473 HydrophobicContact CG2-CE2 4.29Å; T471-F473 HydrophobicContact CG2-CE2 4.36Å; T471-F473 HydrophobicContact CG2-CZ 4.28Å; F473-I484 HydrophobicContact CB-CD1 3.9Å; F473-I484 HydrophobicContact CB-CG2 4.37Å; F473-I484 HydrophobicContact CD2-CG2 3.95Å; F473-I484 HydrophobicContact CG-CD1 4.41Å; F473-I484 HydrophobicContact CG-CG2 4.25Å
474S97.1Very high95.4Very high71 Ų7139 Ų3950%0.49721%0.209SC..EExtended strand (participates in β ladder)trans-92.4136.7169.9-56.10000109.9A444A444-S474 WeakPolarHBondContact O-CA 3.38Å
475V97.1Very high96Very high10 Ų1037 Ų376%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-139.1149.8176.2-71.40000111.2F333 Q443 A444 D480 L481 I484F333-V475 HydrophobicContact CD1-CG1 4.13Å; F333-V475 HydrophobicContact CE1-CG1 4.3Å; Q443-V475 CarbonylContact C-O 3.39Å; Q443-V475 WeakPolarHBondContact CA-O 3.31Å; Q443-V475 WeakPolarHBondContact CB-O 3.42Å; A444-V475 HydrophobicContact CB-CG2 4.29Å; A444-V475 PolarHBondContact N-O 3.01Å; A444-V475 PolarHBondContact O-N 2.91Å; V475-D480 HydrophobicContact CB-CB 4.39Å; V475-D480 HydrophobicContact CG1-CB 4.07Å; V475-L481 HydrophobicContact CG2-CB 3.86Å; V475-L481 HydrophobicContact CG2-CD1 4.4Å; V475-I484 HydrophobicContact CG1-CD1 3.45Å; V475-I484 VanDerWaalsContact CG1-CD1 3.45Å
476D96.8Very high96.6Very high133 Ų13339.9 Ų39.971%0.71121%0.207SC*.SBendtrans-11218.8178.656.6-8000112.4W436W436-D476 WeakPolarHBondContact CH2-O 3.31Å
477N95.8Very high96.8Very high56 Ų5642.6 Ų42.630%0.29922%0.22SC..  trans-143.5126-178.4174.511.1000111.2K479 D480 L481N477-K479 PolarHBondContact O-N 3.5Å; N477-K479 PolarHBondContact OD1-N 3.23Å; N477-D480 HydrophobicContact CB-CB 4.19Å; N477-D480 WeakPolarHBondContact CB-OD2 3.2Å; N477-D480 VanDerWaalsContact ND2-CG 3.29Å; N477-D480 PolarHBondContact ND2-OD2 3.18Å; N477-D480 PolarHBondContact O-N 3.14Å; N477-L481 PolarHBondContact O-N 3.1Å
478V96.7Very high96.9Very high48 Ų4844.4 Ų44.429%0.29123%0.228SC..Hα-helixtrans-62.2-27.3179.470.60000113.6W436 Q482W436-V478 HydrophobicContact CB-CG2 4.44Å; W436-V478 HydrophobicContact CD2-CB 3.9Å; W436-V478 HydrophobicContact CD2-CG2 4.17Å; W436-V478 HydrophobicContact CE3-CB 4.25Å; W436-V478 HydrophobicContact CG-CB 4.27Å; W436-V478 HydrophobicContact CG-CG2 4.04Å; W436-V478 HydrophobicContact CZ2-CB 4.34Å; V478-Q482 WeakPolarHBondContact O-CG 3.45Å; V478-Q482 PolarHBondContact O-N 2.76Å; V478-Q482 VanDerWaalsContact O-N 3.11Å
479K96.3Very high97Very high147 Ų14744.5 Ų44.564%0.63923%0.229SC*.Hα-helixtrans-71.8-41175.6-64.6-175.7178.2-178.20111.6N477 L481 Q482 V483N477-K479 PolarHBondContact O-N 3.5Å; N477-K479 PolarHBondContact OD1-N 3.23Å; K479-L481 VanDerWaalsContact C-N 3.35Å; K479-Q482 PolarHBondContact O-N 3.14Å; K479-V483 WeakPolarHBondContact O-CG2 3.17Å; K479-V483 PolarHBondContact O-N 2.93Å
480D96.4Very high97.1Very high38 Ų3846.9 Ų46.920%0.20324%0.241CC..Hα-helixtrans-69.4-36.7177.7-66-34.2000110.9F333 V475 N477 V483 I484F333-D480 HydrophobicContact CE1-CB 3.63Å; F333-D480 HydrophobicContact CZ-CB 3.55Å; V475-D480 HydrophobicContact CB-CB 4.39Å; V475-D480 HydrophobicContact CG1-CB 4.07Å; N477-D480 HydrophobicContact CB-CB 4.19Å; N477-D480 WeakPolarHBondContact CB-OD2 3.2Å; N477-D480 VanDerWaalsContact ND2-CG 3.29Å; N477-D480 PolarHBondContact ND2-OD2 3.18Å; N477-D480 PolarHBondContact O-N 3.14Å; D480-V483 PolarHBondContact O-N 2.82Å; D480-I484 VanDerWaalsContact O-CG1 3.31Å; D480-I484 WeakPolarHBondContact O-CG1 3.43Å; D480-I484 PolarHBondContact O-N 3.04Å
481L98Very high97.1Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-55.4-50168.7175.259.3000112.4A432 L435 W436 A444 V446 V475 N477 K479 V483 I484 L485A432-L481 HydrophobicContact CB-CD2 4.12Å; A432-L481 HydrophobicContact CB-CG 4.08Å; A432-L481 WeakPolarHBondContact O-CD2 3.47Å; L435-L481 HydrophobicContact CB-CD1 4.4Å; L435-L481 HydrophobicContact CB-CD2 4.28Å; L435-L481 HydrophobicContact CD1-CD1 4.29Å; W436-L481 HydrophobicContact CB-CD2 3.94Å; W436-L481 HydrophobicContact CE3-CD2 4.06Å; A444-L481 HydrophobicContact CB-CD1 3.78Å; A444-L481 HydrophobicContact CB-CD2 3.61Å; A444-L481 HydrophobicContact CB-CG 4.22Å; V446-L481 HydrophobicContact CG2-CD1 3.34Å; V475-L481 HydrophobicContact CG2-CB 3.86Å; V475-L481 HydrophobicContact CG2-CD1 4.4Å; N477-L481 PolarHBondContact O-N 3.1Å; K479-L481 VanDerWaalsContact C-N 3.35Å; L481-V483 VanDerWaalsContact C-N 3.35Å; L481-V483 PolarHBondContact O-N 3.38Å; L481-I484 PolarHBondContact O-N 3.48Å; L481-L485 HydrophobicContact CD1-CD1 3.8Å; L481-L485 HydrophobicContact CD1-CG 4.26Å; L481-L485 HydrophobicContact CG-CD1 4.01Å; L481-L485 WeakPolarHBondContact O-CB 3.43Å; L481-L485 WeakPolarHBondContact O-CG 3.24Å; L481-L485 PolarHBondContact O-N 3.41Å
482Q97.7Very high97.1Very high63 Ų6348.5 Ų48.529%0.29425%0.247SC..Hα-helixtrans-61.1-42.7176.5-72.2169.39.700111.7V428 L429 A432 V478 K479 I484 L485 E486V428-Q482 HydrophobicContact CG1-CB 4.5Å; L429-Q482 HydrophobicContact CD2-CG 4.23Å; A432-Q482 HydrophobicContact CB-CG 3.64Å; V478-Q482 WeakPolarHBondContact O-CG 3.45Å; V478-Q482 PolarHBondContact O-N 2.76Å; V478-Q482 VanDerWaalsContact O-N 3.11Å; K479-Q482 PolarHBondContact O-N 3.14Å; Q482-I484 PolarHBondContact O-N 3.38Å; Q482-L485 PolarHBondContact O-N 3.33Å; Q482-E486 WeakPolarHBondContact O-CB 3.4Å; Q482-E486 PolarHBondContact O-N 3.5Å
483V97.3Very high97.1Very high49 Ų4948.8 Ų48.830%0.29725%0.247SC..Hα-helixtrans-63.8-39.6178.41670000112.3F331 F333 K479 D480 L481 Q487F331-V483 HydrophobicContact CD2-CG1 4.19Å; F333-V483 HydrophobicContact CE2-CG1 4.25Å; K479-V483 WeakPolarHBondContact O-CG2 3.17Å; K479-V483 PolarHBondContact O-N 2.93Å; D480-V483 PolarHBondContact O-N 2.82Å; L481-V483 VanDerWaalsContact C-N 3.35Å; L481-V483 PolarHBondContact O-N 3.38Å; V483-Q487 VanDerWaalsContact CG1-NE2 3.26Å; V483-Q487 WeakPolarHBondContact O-CB 3.32Å; V483-Q487 VanDerWaalsContact O-CG 3.23Å; V483-Q487 WeakPolarHBondContact O-CG 3.2Å; V483-Q487 PolarHBondContact O-N 3.44Å; V483-Q487 VanDerWaalsContact O-N 3.16Å; V483-Q487 PolarHBondContact O-NE2 3.05Å
484I97Very high96.9Very high3 Ų354.2 Ų54.22%0.01528%0.275CS..Hα-helixtrans-70.1-40.8176.2-64.5168.4000110.9F333 V446 F473 V475 D480 L481 Q482 Q487 H488F333-I484 HydrophobicContact CB-CD1 4.07Å; F333-I484 HydrophobicContact CD1-CD1 4.15Å; F333-I484 HydrophobicContact CD2-CD1 3.58Å; F333-I484 HydrophobicContact CD2-CG1 3.4Å; F333-I484 VanDerWaalsContact CD2-CG1 3.4Å; F333-I484 HydrophobicContact CE2-CD1 3.97Å; F333-I484 HydrophobicContact CE2-CG1 3.59Å; F333-I484 HydrophobicContact CG-CD1 3.67Å; F333-I484 HydrophobicContact CG-CG1 4.05Å; F333-I484 HydrophobicContact CZ-CD1 4.45Å; F333-I484 HydrophobicContact CZ-CG1 4.4Å; V446-I484 HydrophobicContact CB-CG2 3.93Å; V446-I484 HydrophobicContact CG1-CG2 3.97Å; V446-I484 HydrophobicContact CG2-CB 4.47Å; V446-I484 HydrophobicContact CG2-CG2 4.07Å; F473-I484 HydrophobicContact CB-CD1 3.9Å; F473-I484 HydrophobicContact CB-CG2 4.37Å; F473-I484 HydrophobicContact CD2-CG2 3.95Å; F473-I484 HydrophobicContact CG-CD1 4.41Å; F473-I484 HydrophobicContact CG-CG2 4.25Å; V475-I484 HydrophobicContact CG1-CD1 3.45Å; V475-I484 VanDerWaalsContact CG1-CD1 3.45Å; D480-I484 VanDerWaalsContact O-CG1 3.31Å; D480-I484 WeakPolarHBondContact O-CG1 3.43Å; D480-I484 PolarHBondContact O-N 3.04Å; L481-I484 PolarHBondContact O-N 3.48Å; Q482-I484 PolarHBondContact O-N 3.38Å; I484-Q487 PolarHBondContact O-N 2.74Å; I484-H488 PolarHBondContact O-CD2 3.17Å; I484-H488 PolarHBondContact O-N 3Å
485L98.2Very high96.4Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-64.1-47.1176.8-76166.3000111.6V428 L431 A432 L435 V446 L481 Q482 Q487 H488 I489 Y492V428-L485 HydrophobicContact CG1-CB 4.05Å; L431-L485 HydrophobicContact CB-CD1 4.11Å; L431-L485 HydrophobicContact CB-CD2 4.34Å; A432-L485 HydrophobicContact CB-CD1 3.71Å; L435-L485 HydrophobicContact CD1-CD1 4.43Å; L435-L485 HydrophobicContact CD1-CD2 4.35Å; V446-L485 HydrophobicContact CG1-CD2 3.91Å; V446-L485 HydrophobicContact CG1-CG 4.46Å; V446-L485 HydrophobicContact CG2-CD2 4.32Å; V446-L485 HydrophobicContact CG2-CG 4.19Å; L481-L485 HydrophobicContact CD1-CD1 3.8Å; L481-L485 HydrophobicContact CD1-CG 4.26Å; L481-L485 HydrophobicContact CG-CD1 4.01Å; L481-L485 WeakPolarHBondContact O-CB 3.43Å; L481-L485 WeakPolarHBondContact O-CG 3.24Å; L481-L485 PolarHBondContact O-N 3.41Å; Q482-L485 PolarHBondContact O-N 3.33Å; L485-Q487 VanDerWaalsContact C-N 3.29Å; L485-Q487 PolarHBondContact O-N 3.32Å; L485-H488 CarbonylContact O-C 3.29Å; L485-H488 PolarHBondContact O-N 2.93Å; L485-I489 WeakPolarHBondContact O-CA 3.5Å; L485-I489 WeakPolarHBondContact O-CB 3.15Å; L485-I489 PolarHBondContact O-N 3.48Å; L485-Y492 HydrophobicContact CD2-CE1 4.45Å; L485-Y492 HydrophobicContact CD2-CE2 4.41Å
486E97.5Very high96Very high84 Ų8456.6 Ų56.639%0.39329%0.285SS..Hα-helixtrans-58.5-39.1175.8-169.471.2-118.200111.9V428 Q482 H488 I489V428-E486 HydrophobicContact CG1-CB 4.26Å; V428-E486 HydrophobicContact CG2-CB 4.36Å; Q482-E486 WeakPolarHBondContact O-CB 3.4Å; Q482-E486 PolarHBondContact O-N 3.5Å; E486-H488 PolarHBondContact O-N 3.02Å; E486-I489 WeakPolarHBondContact O-CG2 3.43Å
487Q96.1Very high96Very high60 Ų6051.6 Ų51.628%0.2826%0.256SS..Hα-helixtrans-66.2-19.9175.9-75.9-179.454.800114.5I328 V483 I484 L485I328-Q487 HydrophobicContact CD1-CG 4.32Å; I328-Q487 HydrophobicContact CG2-CG 4.04Å; V483-Q487 VanDerWaalsContact CG1-NE2 3.26Å; V483-Q487 WeakPolarHBondContact O-CB 3.32Å; V483-Q487 VanDerWaalsContact O-CG 3.23Å; V483-Q487 WeakPolarHBondContact O-CG 3.2Å; V483-Q487 PolarHBondContact O-N 3.44Å; V483-Q487 VanDerWaalsContact O-N 3.16Å; V483-Q487 PolarHBondContact O-NE2 3.05Å; I484-Q487 PolarHBondContact O-N 2.74Å; L485-Q487 VanDerWaalsContact C-N 3.29Å; L485-Q487 PolarHBondContact O-N 3.32Å
488H96.9Very high96Very high38 Ų3848.9 Ų48.918%0.17624%0.242CC..Hα-helixtrans-127.57.4-173-65.1-51.3000114.3I448 I484 L485 E486 E490 Q491I448-H488 HydrophobicContact CG2-CB 3.86Å; I484-H488 PolarHBondContact O-CD2 3.17Å; I484-H488 PolarHBondContact O-N 3Å; L485-H488 CarbonylContact O-C 3.29Å; L485-H488 PolarHBondContact O-N 2.93Å; E486-H488 PolarHBondContact O-N 3.02Å; H488-E490 PolarHBondContact O-N 3.11Å; H488-E490 VanDerWaalsContact O-N 3.14Å; H488-Q491 WeakPolarHBondContact O-CB 3.5Å; H488-Q491 PolarHBondContact O-N 2.86Å
489I97.7Very high96.1Very high4 Ų446.6 Ų46.62%0.02123%0.228CC..Hα-helixtrans-58.5-31.7-172.6-168.861.1000113.2R424 L427 V428 L431 L485 E486 Q491 Y492 E493R424-I489 HydrophobicContact CG-CG1 3.94Å; R424-I489 HydrophobicContact CG-CG2 3.85Å; L427-I489 HydrophobicContact CD2-CD1 3.81Å; L427-I489 HydrophobicContact CD2-CG1 4.41Å; L427-I489 HydrophobicContact CG-CD1 3.97Å; V428-I489 HydrophobicContact CG2-CB 3.96Å; V428-I489 HydrophobicContact CG2-CD1 3.63Å; V428-I489 HydrophobicContact CG2-CG1 3.67Å; L431-I489 HydrophobicContact CD1-CD1 3.78Å; L485-I489 WeakPolarHBondContact O-CA 3.5Å; L485-I489 WeakPolarHBondContact O-CB 3.15Å; L485-I489 PolarHBondContact O-N 3.48Å; E486-I489 WeakPolarHBondContact O-CG2 3.43Å; I489-Q491 PolarHBondContact O-N 3.26Å; I489-Q491 VanDerWaalsContact O-N 3.14Å; I489-Y492 PolarHBondContact O-N 3.49Å; I489-E493 WeakPolarHBondContact O-CB 3.16Å; I489-E493 PolarHBondContact O-N 2.72Å
490E97.1Very high96.2Very high124 Ų12439.6 Ų39.658%0.57920%0.198SC*.Hα-helixtrans-52.9-34.3173.4-64.4178-166.500112.1R326 H488 M494 G495R326-E490 IonicContact NH1-OE1 3.96Å; H488-E490 PolarHBondContact O-N 3.11Å; H488-E490 VanDerWaalsContact O-N 3.14Å; E490-M494 PolarHBondContact O-N 3.13Å; E490-G495 PolarHBondContact O-N 2.93Å
491Q96.9Very high96.3Very high51 Ų5137.8 Ų37.824%0.23819%0.188CC..Hα-helixtrans-74.5-26.6177.5-57.4-162.58.400113.9N449 H488 I489 G495 L501N449-Q491 PolarHBondContact O-NE2 2.99Å; N449-Q491 PolarHBondContact O-OE1 3.38Å; H488-Q491 WeakPolarHBondContact O-CB 3.5Å; H488-Q491 PolarHBondContact O-N 2.86Å; I489-Q491 PolarHBondContact O-N 3.26Å; I489-Q491 VanDerWaalsContact O-N 3.14Å; Q491-G495 WeakPolarHBondContact O-CA 3.18Å; Q491-L501 HydrophobicContact CB-CD1 3.97Å
492Y98.2Very high96.3Very high0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-87.6-46.6-179.7-77.6-105.9000110.7G366 F367 L431 V446 A447 L485 I489 L501 L502 S505G366-Y492 CarbonylContact C-O 3.56Å; G366-Y492 WeakPolarHBondContact CA-O 3.45Å; F367-Y492 VanDerWaalsContact CD2-O 3.26Å; F367-Y492 WeakPolarHBondContact CD2-O 3.31Å; F367-Y492 HydrophobicContact CE2-CD1 4.31Å; F367-Y492 PolarHBondContact N-O 2.96Å; L431-Y492 HydrophobicContact CD1-CD1 3.87Å; L431-Y492 HydrophobicContact CD1-CG 4.16Å; L431-Y492 HydrophobicContact CD2-CD1 4.5Å; V446-Y492 HydrophobicContact CG1-CE2 4.44Å; A447-Y492 PolarHBondContact O-OH 3.4Å; L485-Y492 HydrophobicContact CD2-CE1 4.45Å; L485-Y492 HydrophobicContact CD2-CE2 4.41Å; I489-Y492 PolarHBondContact O-N 3.49Å; Y492-L501 HydrophobicContact CD1-CB 4.48Å; Y492-L501 HydrophobicContact CD2-CD1 4.48Å; Y492-L501 HydrophobicContact CE1-CB 3.97Å; Y492-L501 HydrophobicContact CE2-CB 4.32Å; Y492-L501 HydrophobicContact CE2-CD1 4.3Å; Y492-L502 HydrophobicContact CD1-CB 4.42Å; Y492-L502 HydrophobicContact CE1-CB 4.16Å; Y492-S505 PolarHBondContact OH-OG 2.74Å; Y492-S505 VanDerWaalsContact OH-OG 3.13Å
493E96.9Very high96.4Very high18 Ų1834.9 Ų34.98%0.08418%0.175CC..Hα-helixtrans-71.9-60.4-177.1-170.8-170.7152.900111.6F367 T368 R424 L427 I489F367-E493 CarbonylContact C-O 3.42Å; F367-E493 PolarHBondContact N-O 3.16Å; T368-E493 WeakPolarHBondContact CG2-O 3.2Å; T368-E493 PolarHBondContact N-O 3.5Å; T368-E493 VanDerWaalsContact N-O 3.14Å; R424-E493 IonicContact CZ-OE1 2.64Å; R424-E493 IonicContact CZ-OE2 2.7Å; R424-E493 VanDerWaalsContact CZ-OE2 3.24Å; R424-E493 IonicContact NE-OE1 2.64Å; R424-E493 IonicContact NE-OE2 3.47Å; R424-E493 PolarHBondContact NE-OE2 2.85Å; R424-E493 IonicContact NH2-OE1 3.71Å; R424-E493 PolarHBondContact NH2-OE1 3.43Å; R424-E493 IonicContact NH2-OE2 3.76Å; R424-E493 PolarHBondContact NH2-OE2 2.65Å; L427-E493 HydrophobicContact CD2-CB 3.96Å; L427-E493 HydrophobicContact CD2-CG 4.09Å; I489-E493 WeakPolarHBondContact O-CB 3.16Å; I489-E493 PolarHBondContact O-N 2.72Å
494M92.6Very high96.4Very high141 Ų14132.5 Ų32.570%0.69516%0.16SC*.THydrogen-bonded Turntrans-107.8-14.8-172.5-57.2-172.877.800113.7T368 E490T368-M494 HydrophobicContact CG2-CG 4.44Å; E490-M494 PolarHBondContact O-N 3.13Å
495G86.4Confident96.5Very high21 Ų2132.4 Ų32.422%0.21616%0.16CC..SBendtrans-70.7153.8-177.100000114.2E490 Q491E490-G495 PolarHBondContact O-N 2.93Å; Q491-G495 WeakPolarHBondContact O-CA 3.18Å
496M89.6Confident96.6Very high110 Ų11032.4 Ų32.454%0.54216%0.16SC..THydrogen-bonded Turntrans-60.1149.7162.6-64.7-176.770.700109.8G498M496-G498 PolarHBondContact O-N 3.24Å
497F95.8Very high96.6Very high28 Ų2828.4 Ų28.412%0.12314%0.141CC..THydrogen-bonded Turntrans64.810.4178.2-33-78.5000115.9K363 L466 C499 I500 L501K363-F497 HydrophobicContact CB-CD1 4.04Å; K363-F497 HydrophobicContact CB-CE1 3.96Å; K363-F497 HydrophobicContact CD-CE1 4.44Å; K363-F497 HydrophobicContact CG-CD1 3.94Å; K363-F497 HydrophobicContact CG-CE1 3.81Å; K363-F497 PolarHBondContact O-N 3.3Å; L466-F497 HydrophobicContact CD1-CB 3.9Å; L466-F497 HydrophobicContact CD1-CD1 3.9Å; L466-F497 HydrophobicContact CD1-CD2 3.82Å; L466-F497 HydrophobicContact CD1-CE1 4.38Å; L466-F497 HydrophobicContact CD1-CE2 4.32Å; L466-F497 HydrophobicContact CD1-CG 3.6Å; L466-F497 HydrophobicContact CD2-CD1 3.91Å; L466-F497 HydrophobicContact CD2-CE1 4.39Å; L466-F497 HydrophobicContact CD2-CG 4.37Å; L466-F497 HydrophobicContact CG-CD1 4.45Å; F497-C499 VanDerWaalsContact C-N 3.33Å; F497-C499 PolarHBondContact O-N 3.5Å; F497-I500 HydrophobicContact CB-CB 4.32Å; F497-I500 HydrophobicContact CB-CD1 4.16Å; F497-I500 HydrophobicContact CD1-CD1 4.11Å; F497-I500 CarbonylContact O-C 3.53Å; F497-I500 WeakPolarHBondContact O-CA 3.3Å; F497-I500 WeakPolarHBondContact O-CB 3.32Å; F497-I500 PolarHBondContact O-N 3.04Å; F497-L501 PolarHBondContact O-N 2.88Å
498G97.6Very high96.8Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-52.7-41.9-17500000114.9Q365 M496 I500 L501 L502Q365-G498 PolarHBondContact O-N 3.24Å; M496-G498 PolarHBondContact O-N 3.24Å; G498-I500 VanDerWaalsContact C-N 3.35Å; G498-I500 PolarHBondContact O-N 3.05Å; G498-L501 PolarHBondContact O-N 3.04Å; G498-L502 PolarHBondContact O-N 3.41Å; G498-L502 VanDerWaalsContact O-N 3.13Å
499C97.9Very high96.8Very high0 Ų025.3 Ų25.30%013%0.127CC..Hα-helixtrans-63.2-37.1171.8-79.50000113.3W362 Q365 V389 L390 F497 V503W362-C499 HydrophobicContact CE3-CB 4.33Å; W362-C499 HydrophobicContact CZ3-CB 4.4Å; Q365-C499 PolarHBondContact O-N 2.9Å; V389-C499 HydrophobicContact CG1-CB 4.39Å; L390-C499 VanDerWaalsContact CD2-SG 3.56Å; F497-C499 VanDerWaalsContact C-N 3.33Å; F497-C499 PolarHBondContact O-N 3.5Å; C499-V503 WeakPolarHBondContact O-CG2 3.22Å; C499-V503 PolarHBondContact O-N 2.98Å
500I98.3Very high96.9Very high0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-72.6-38.9178.5-54.3163.9000110.5F358 W362 K363 L466 F497 G498 L502 V503 V504F358-I500 HydrophobicContact CB-CD1 3.93Å; F358-I500 HydrophobicContact CD1-CD1 3.72Å; F358-I500 HydrophobicContact CD1-CG1 3.87Å; F358-I500 HydrophobicContact CD1-CG2 4.39Å; F358-I500 HydrophobicContact CD2-CD1 3.99Å; F358-I500 HydrophobicContact CD2-CG2 4.45Å; F358-I500 HydrophobicContact CE1-CB 4.49Å; F358-I500 HydrophobicContact CE1-CD1 4.19Å; F358-I500 HydrophobicContact CE1-CG1 3.96Å; F358-I500 HydrophobicContact CE1-CG2 3.75Å; F358-I500 HydrophobicContact CE2-CD1 4.41Å; F358-I500 HydrophobicContact CE2-CG2 3.81Å; F358-I500 HydrophobicContact CG-CD1 3.61Å; F358-I500 HydrophobicContact CG-CG1 4.28Å; F358-I500 HydrophobicContact CZ-CG1 4.42Å; F358-I500 HydrophobicContact CZ-CG2 3.43Å; F358-I500 VanDerWaalsContact CZ-CG2 3.43Å; W362-I500 HydrophobicContact CB-CD1 4.15Å; W362-I500 HydrophobicContact CB-CG1 4.31Å; W362-I500 HydrophobicContact CE3-CG1 3.93Å; K363-I500 HydrophobicContact CG-CD1 4.45Å; L466-I500 HydrophobicContact CD2-CD1 4.01Å; L466-I500 HydrophobicContact CD2-CG2 4.09Å; F497-I500 HydrophobicContact CB-CB 4.32Å; F497-I500 HydrophobicContact CB-CD1 4.16Å; F497-I500 HydrophobicContact CD1-CD1 4.11Å; F497-I500 CarbonylContact O-C 3.53Å; F497-I500 WeakPolarHBondContact O-CA 3.3Å; F497-I500 WeakPolarHBondContact O-CB 3.32Å; F497-I500 PolarHBondContact O-N 3.04Å; G498-I500 VanDerWaalsContact C-N 3.35Å; G498-I500 PolarHBondContact O-N 3.05Å; I500-L502 VanDerWaalsContact C-N 3.33Å; I500-L502 PolarHBondContact O-N 3.37Å; I500-V503 PolarHBondContact O-N 2.95Å; I500-V504 HydrophobicContact CG2-CG2 4.11Å; I500-V504 WeakPolarHBondContact O-CB 3.46Å; I500-V504 VanDerWaalsContact O-CG2 3.31Å; I500-V504 WeakPolarHBondContact O-CG2 3.21Å; I500-V504 PolarHBondContact O-N 3.45Å
501L98.6Very high96.9Very high0 Ų021.3 Ų21.30%011%0.112CC..Hα-helixtrans-57.4-46.4173.9-66.9-180000110.8M470 Q491 Y492 F497 G498 S505M470-L501 HydrophobicContact CE-CD2 3.96Å; Q491-L501 HydrophobicContact CB-CD1 3.97Å; Y492-L501 HydrophobicContact CD1-CB 4.48Å; Y492-L501 HydrophobicContact CD2-CD1 4.48Å; Y492-L501 HydrophobicContact CE1-CB 3.97Å; Y492-L501 HydrophobicContact CE2-CB 4.32Å; Y492-L501 HydrophobicContact CE2-CD1 4.3Å; F497-L501 PolarHBondContact O-N 2.88Å; G498-L501 PolarHBondContact O-N 3.04Å; L501-S505 VanDerWaalsContact O-CB 3.23Å; L501-S505 WeakPolarHBondContact O-CB 3.15Å; L501-S505 PolarHBondContact O-N 3.14Å; L501-S505 PolarHBondContact O-OG 3.13Å
502L98.8Very high97Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-61.3-50.8173.6172.764.4000112.5F367 V389 I393 L431 L435 Y492 G498 I500 V504 S505 A506 L541F367-L502 HydrophobicContact CE1-CD2 4.27Å; F367-L502 HydrophobicContact CE2-CB 4.19Å; F367-L502 HydrophobicContact CE2-CD2 4.24Å; F367-L502 HydrophobicContact CZ-CB 4.1Å; F367-L502 HydrophobicContact CZ-CD2 3.53Å; F367-L502 HydrophobicContact CZ-CG 4.47Å; V389-L502 HydrophobicContact CG1-CD2 3.8Å; I393-L502 HydrophobicContact CD1-CD2 3.6Å; I393-L502 HydrophobicContact CG1-CD2 3.38Å; L431-L502 HydrophobicContact CD2-CD1 3.87Å; L431-L502 HydrophobicContact CD2-CD2 3.91Å; L431-L502 HydrophobicContact CD2-CG 4.34Å; L435-L502 HydrophobicContact CD2-CD1 3.94Å; L435-L502 HydrophobicContact CG-CD1 4.17Å; Y492-L502 HydrophobicContact CD1-CB 4.42Å; Y492-L502 HydrophobicContact CE1-CB 4.16Å; G498-L502 PolarHBondContact O-N 3.41Å; G498-L502 VanDerWaalsContact O-N 3.13Å; I500-L502 VanDerWaalsContact C-N 3.33Å; I500-L502 PolarHBondContact O-N 3.37Å; L502-V504 VanDerWaalsContact C-N 3.32Å; L502-V504 PolarHBondContact O-N 2.66Å; L502-S505 CarbonylContact O-C 3.45Å; L502-S505 WeakPolarHBondContact O-CA 3.27Å; L502-S505 VanDerWaalsContact O-CB 3.31Å; L502-S505 WeakPolarHBondContact O-CB 3.23Å; L502-S505 PolarHBondContact O-N 2.72Å; L502-S505 VanDerWaalsContact O-N 3.1Å; L502-A506 PolarHBondContact O-N 3.2Å; L502-L541 HydrophobicContact CD2-CD2 4.41Å; L502-L541 HydrophobicContact CG-CD2 4.42Å
503V98.8Very high97Very high1 Ų123.4 Ų23.41%0.00612%0.122CC..Hα-helixtrans-64-39.2-174.91670000111.5L350 W362 V389 C499 I500 A506 V507 L537L350-V503 HydrophobicContact CD2-CG1 3.46Å; L350-V503 VanDerWaalsContact CD2-CG1 3.46Å; W362-V503 HydrophobicContact CZ3-CG2 4.15Å; V389-V503 HydrophobicContact CG1-CG2 4.12Å; V389-V503 HydrophobicContact CG2-CG2 3.63Å; C499-V503 WeakPolarHBondContact O-CG2 3.22Å; C499-V503 PolarHBondContact O-N 2.98Å; I500-V503 PolarHBondContact O-N 2.95Å; V503-A506 PolarHBondContact O-N 2.75Å; V503-V507 WeakPolarHBondContact O-CG2 3.4Å; V503-V507 PolarHBondContact O-N 2.84Å; V503-L537 HydrophobicContact CG1-CD1 3.76Å; V503-L537 HydrophobicContact CG2-CD1 4.03Å
504V98.8Very high97.1Very high0 Ų025.9 Ų25.90%013%0.132CC..Hα-helixtrans-65.4-41.9172.5174.10000111.1L346 L350 A447 F467 M470 I500 L502 A506 V507 L508L346-V504 HydrophobicContact CD1-CG1 3.82Å; L346-V504 HydrophobicContact CD2-CG1 4.28Å; L350-V504 HydrophobicContact CD1-CG2 3.84Å; A447-V504 HydrophobicContact CB-CG1 4.24Å; F467-V504 HydrophobicContact CE1-CG1 4.47Å; F467-V504 HydrophobicContact CE1-CG2 3.71Å; F467-V504 HydrophobicContact CZ-CG2 4.18Å; M470-V504 HydrophobicContact CE-CG1 4.4Å; M470-V504 HydrophobicContact CE-CG2 4.44Å; M470-V504 HydrophobicContact SD-CB 4.39Å; M470-V504 HydrophobicContact SD-CG1 3.65Å; I500-V504 HydrophobicContact CG2-CG2 4.11Å; I500-V504 WeakPolarHBondContact O-CB 3.46Å; I500-V504 VanDerWaalsContact O-CG2 3.31Å; I500-V504 WeakPolarHBondContact O-CG2 3.21Å; I500-V504 PolarHBondContact O-N 3.45Å; L502-V504 VanDerWaalsContact C-N 3.32Å; L502-V504 PolarHBondContact O-N 2.66Å; V504-A506 VanDerWaalsContact C-N 3.34Å; V504-A506 PolarHBondContact O-N 2.88Å; V504-V507 PolarHBondContact O-N 2.95Å; V504-L508 HydrophobicContact CG1-CD1 3.69Å; V504-L508 HydrophobicContact CG1-CG 4.18Å; V504-L508 WeakPolarHBondContact O-CB 3.47Å; V504-L508 VanDerWaalsContact O-CG 3.27Å; V504-L508 WeakPolarHBondContact O-CG 3.29Å; V504-L508 PolarHBondContact O-N 3.26Å
505S98.8Very high97.3Very high0 Ų019.1 Ų19.10%010%0.099CC..Hα-helixtrans-58.5-43.6174.8-62.70000112L435 V445 A447 Y492 L501 L502 L508 S509L435-S505 VanDerWaalsContact CD2-CB 3.45Å; V445-S505 WeakPolarHBondContact O-CA 3.41Å; V445-S505 WeakPolarHBondContact O-CB 3.35Å; A447-S505 WeakPolarHBondContact CB-OG 3.31Å; A447-S505 PolarHBondContact N-OG 2.92Å; Y492-S505 PolarHBondContact OH-OG 2.74Å; Y492-S505 VanDerWaalsContact OH-OG 3.13Å; L501-S505 VanDerWaalsContact O-CB 3.23Å; L501-S505 WeakPolarHBondContact O-CB 3.15Å; L501-S505 PolarHBondContact O-N 3.14Å; L501-S505 PolarHBondContact O-OG 3.13Å; L502-S505 CarbonylContact O-C 3.45Å; L502-S505 WeakPolarHBondContact O-CA 3.27Å; L502-S505 VanDerWaalsContact O-CB 3.31Å; L502-S505 WeakPolarHBondContact O-CB 3.23Å; L502-S505 PolarHBondContact O-N 2.72Å; L502-S505 VanDerWaalsContact O-N 3.1Å; S505-L508 PolarHBondContact O-N 2.96Å; S505-S509 WeakPolarHBondContact O-CB 3.26Å; S505-S509 PolarHBondContact O-N 3.18Å; S505-S509 PolarHBondContact O-OG 2.71Å
506A98.9Very high97.9Very high0 Ų021.3 Ų21.30%010%0.101CC..Hα-helixtrans-67.3-47.217900000111.9L435 A438 L502 V503 V504 L508 S509 R510 L540 L541L435-A506 HydrophobicContact CD2-CB 3.94Å; L435-A506 VanDerWaalsContact CD2-N 3.26Å; A438-A506 HydrophobicContact CB-CB 4.42Å; L502-A506 PolarHBondContact O-N 3.2Å; V503-A506 PolarHBondContact O-N 2.75Å; V504-A506 VanDerWaalsContact C-N 3.34Å; V504-A506 PolarHBondContact O-N 2.88Å; A506-L508 VanDerWaalsContact C-N 3.33Å; A506-L508 PolarHBondContact O-N 3.45Å; A506-S509 PolarHBondContact O-N 2.94Å; A506-R510 WeakPolarHBondContact O-CB 3.41Å; A506-R510 PolarHBondContact O-N 2.66Å; A506-L540 HydrophobicContact CB-CD2 4.27Å; A506-L540 HydrophobicContact CB-CG 4.41Å; A506-L541 HydrophobicContact CB-CD2 3.95Å
507V98.8Very high98.3Very high0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-62-38.6176.7169.90000111.8L346 I349 L350 V503 V504 S511 I512 V515 L526 L540L346-V507 HydrophobicContact CD2-CB 4.42Å; L346-V507 HydrophobicContact CD2-CG1 3.81Å; I349-V507 HydrophobicContact CG2-CG1 4.19Å; L350-V507 HydrophobicContact CD2-CG2 4.18Å; V503-V507 WeakPolarHBondContact O-CG2 3.4Å; V503-V507 PolarHBondContact O-N 2.84Å; V504-V507 PolarHBondContact O-N 2.95Å; V507-S511 CarbonylContact O-C 3.54Å; V507-S511 VanDerWaalsContact O-CA 3.3Å; V507-S511 WeakPolarHBondContact O-CA 3.36Å; V507-S511 PolarHBondContact O-N 2.85Å; V507-I512 HydrophobicContact CG1-CG1 4.04Å; V507-V515 HydrophobicContact CG1-CG2 4.35Å; V507-L526 HydrophobicContact CG2-CD1 3.57Å; V507-L540 HydrophobicContact CG2-CD2 3.78Å
508L98.7Very high98.4Very high33 Ų3321.2 Ų21.217%0.17310%0.1CC..Hα-helixtrans-75.6-31.6176.7-68.4176.8000113.2M338 L346 V445 V504 S505 A506 R510 S511M338-L508 HydrophobicContact CE-CD1 4.14Å; L346-L508 HydrophobicContact CD1-CD1 4.34Å; L346-L508 HydrophobicContact CD1-CD2 4.27Å; L346-L508 HydrophobicContact CD1-CG 4.47Å; L346-L508 HydrophobicContact CD2-CD2 4.11Å; L346-L508 HydrophobicContact CD2-CG 4.26Å; V445-L508 HydrophobicContact CB-CB 3.82Å; V445-L508 HydrophobicContact CG1-CB 3.78Å; V445-L508 HydrophobicContact CG1-CD1 4.07Å; V445-L508 HydrophobicContact CG2-CB 4.06Å; V504-L508 HydrophobicContact CG1-CD1 3.69Å; V504-L508 HydrophobicContact CG1-CG 4.18Å; V504-L508 WeakPolarHBondContact O-CB 3.47Å; V504-L508 VanDerWaalsContact O-CG 3.27Å; V504-L508 WeakPolarHBondContact O-CG 3.29Å; V504-L508 PolarHBondContact O-N 3.26Å; S505-L508 PolarHBondContact O-N 2.96Å; A506-L508 VanDerWaalsContact C-N 3.33Å; A506-L508 PolarHBondContact O-N 3.45Å; L508-R510 VanDerWaalsContact C-N 3.33Å; L508-S511 PolarHBondContact O-N 2.73Å
509S98.7Very high98.4Very high0 Ų021.3 Ų21.30%010%0.1CC..Hα-helixtrans-62.8-42.7171.2-58.70000110.8G439 V445 S505 A506G439-S509 VanDerWaalsContact CA-O 3.28Å; G439-S509 WeakPolarHBondContact CA-O 3.12Å; V445-S509 PolarHBondContact N-OG 3.14Å; V445-S509 PolarHBondContact O-OG 2.77Å; S505-S509 WeakPolarHBondContact O-CB 3.26Å; S505-S509 PolarHBondContact O-N 3.18Å; S505-S509 PolarHBondContact O-OG 2.71Å; A506-S509 PolarHBondContact O-N 2.94Å
510R98.4Very high98.3Very high10 Ų1023.7 Ų23.74%0.03811%0.113CC..Hα-helixtrans-72.9-28.5175.7-17265.2-172.6129.47.8113.6A438 E440 A506 L508 K514 V515 D518 L540 G544A438-R510 HydrophobicContact CB-CB 4.45Å; A438-R510 WeakPolarHBondContact O-CA 3.47Å; A438-R510 WeakPolarHBondContact O-CB 3.34Å; A438-R510 WeakPolarHBondContact O-CD 3.34Å; E440-R510 IonicContact OE1-CZ 3.83Å; E440-R510 IonicContact OE1-NH1 3.46Å; E440-R510 PolarHBondContact OE1-NH1 3.23Å; A506-R510 WeakPolarHBondContact O-CB 3.41Å; A506-R510 PolarHBondContact O-N 2.66Å; L508-R510 VanDerWaalsContact C-N 3.33Å; R510-K514 HydrophobicContact CG-CB 4.25Å; R510-K514 WeakPolarHBondContact O-CB 3.43Å; R510-K514 WeakPolarHBondContact O-CD 3.39Å; R510-V515 HydrophobicContact CB-CG2 3.8Å; R510-V515 HydrophobicContact CG-CG2 3.53Å; R510-D518 IonicContact CZ-OD1 3.75Å; R510-D518 IonicContact CZ-OD2 2.71Å; R510-D518 IonicContact NE-OD1 2.61Å; R510-D518 IonicContact NE-OD2 3.98Å; R510-D518 PolarHBondContact NE-OD2 3.3Å; R510-D518 IonicContact NH2-OD1 2.95Å; R510-D518 PolarHBondContact NH2-OD1 3.03Å; R510-D518 IonicContact NH2-OD2 2.66Å; R510-D518 PolarHBondContact NH2-OD2 3.26Å; R510-L540 HydrophobicContact CB-CD1 4.01Å; R510-L540 HydrophobicContact CG-CD1 4.03Å; R510-G544 WeakPolarHBondContact CD-O 3.43Å
511S98.4Very high98.1Very high34 Ų3428 Ų2824%0.23814%0.136CC..  trans72.8142.8-160.674.30000114.3V507 L508 E513 K514 V515V507-S511 CarbonylContact O-C 3.54Å; V507-S511 VanDerWaalsContact O-CA 3.3Å; V507-S511 WeakPolarHBondContact O-CA 3.36Å; V507-S511 PolarHBondContact O-N 2.85Å; L508-S511 PolarHBondContact O-N 2.73Å; S511-E513 VanDerWaalsContact C-N 3.26Å; S511-E513 PolarHBondContact O-N 2.97Å; S511-K514 PolarHBondContact O-N 3.34Å; S511-K514 WeakPolarHBondContact OG-CG 3.32Å; S511-K514 PolarHBondContact OG-N 3.5Å; S511-V515 WeakPolarHBondContact O-CG2 3.21Å; S511-V515 PolarHBondContact O-N 3.3Å
512I98.2Very high97.8Very high4 Ų433.7 Ų33.72%0.02116%0.162CC..Hα-helixtrans-63.3-37-175.9-59.2177.2000110.3E345 L346 I349 V507 R516E345-I512 HydrophobicContact CB-CD1 3.85Å; L346-I512 HydrophobicContact CD2-CD1 4.04Å; L346-I512 HydrophobicContact CD2-CG1 4.29Å; L346-I512 HydrophobicContact CG-CD1 4.01Å; I349-I512 HydrophobicContact CB-CG2 4.43Å; I349-I512 HydrophobicContact CD1-CG2 3.79Å; I349-I512 HydrophobicContact CG2-CG2 4.31Å; V507-I512 HydrophobicContact CG1-CG1 4.04Å; I512-R516 VanDerWaalsContact CG2-CZ 3.44Å; I512-R516 WeakPolarHBondContact O-CG 3.44Å; I512-R516 PolarHBondContact O-N 3.16Å
513E98.1Very high97.5Very high92 Ų9238.1 Ų38.143%0.4319%0.189SC..Hα-helixtrans-60.2-55.4175.4-65.368.3-154.300110.6S511 V515 R516 E517S511-E513 VanDerWaalsContact C-N 3.26Å; S511-E513 PolarHBondContact O-N 2.97Å; E513-V515 VanDerWaalsContact C-N 3.32Å; E513-V515 PolarHBondContact O-N 2.92Å; E513-R516 CarbonylContact O-C 3.55Å; E513-R516 WeakPolarHBondContact O-CA 3.26Å; E513-R516 WeakPolarHBondContact O-CB 3.31Å; E513-R516 PolarHBondContact O-N 3.27Å; E513-E517 WeakPolarHBondContact O-CG 3.45Å; E513-E517 PolarHBondContact O-N 2.81Å
514K98.3Very high97.3Very high69 Ų6939.8 Ų39.830%0.320%0.2SC..Hα-helixtrans-68.2-28.4-179.5-66.8-175.8179.7179.40113.5E440 R510 S511 E517 D518E440-K514 IonicContact OE1-NZ 2.7Å; E440-K514 PolarHBondContact OE1-NZ 3.44Å; E440-K514 IonicContact OE2-NZ 2.82Å; R510-K514 HydrophobicContact CG-CB 4.25Å; R510-K514 WeakPolarHBondContact O-CB 3.43Å; R510-K514 WeakPolarHBondContact O-CD 3.39Å; S511-K514 PolarHBondContact O-N 3.34Å; S511-K514 WeakPolarHBondContact OG-CG 3.32Å; S511-K514 PolarHBondContact OG-N 3.5Å; K514-E517 PolarHBondContact O-N 2.84Å; K514-D518 WeakPolarHBondContact O-CB 3.26Å; K514-D518 PolarHBondContact O-N 2.85Å
515V98.6Very high97.2Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-63.5-43.5169.2173.40000110.2I349 V507 R510 S511 E513 E517 D518 M519 L526 L540 A546I349-V515 HydrophobicContact CD1-CB 3.78Å; I349-V515 HydrophobicContact CD1-CG1 3.44Å; I349-V515 VanDerWaalsContact CD1-CG1 3.44Å; I349-V515 HydrophobicContact CG1-CG1 4.21Å; V507-V515 HydrophobicContact CG1-CG2 4.35Å; R510-V515 HydrophobicContact CB-CG2 3.8Å; R510-V515 HydrophobicContact CG-CG2 3.53Å; S511-V515 WeakPolarHBondContact O-CG2 3.21Å; S511-V515 PolarHBondContact O-N 3.3Å; E513-V515 VanDerWaalsContact C-N 3.32Å; E513-V515 PolarHBondContact O-N 2.92Å; V515-E517 VanDerWaalsContact C-N 3.28Å; V515-E517 PolarHBondContact O-N 2.86Å; V515-D518 PolarHBondContact O-N 3.33Å; V515-M519 HydrophobicContact CG1-CE 4.24Å; V515-M519 WeakPolarHBondContact O-CG 3.36Å; V515-M519 PolarHBondContact O-N 3.39Å; V515-L526 HydrophobicContact CG1-CD1 3.94Å; V515-L526 HydrophobicContact CG1-CD2 4.35Å; V515-L526 HydrophobicContact CG1-CG 4.47Å; V515-L540 HydrophobicContact CG2-CD2 4.39Å; V515-A546 HydrophobicContact CB-CB 4.4Å; V515-A546 HydrophobicContact CG1-CB 3.75Å; V515-A546 HydrophobicContact CG2-CB 4.46Å
516R98.1Very high97.2Very high67 Ų6741.6 Ų41.625%0.25321%0.211SC..Hα-helixtrans-63.8-31173-69.8167.9-178.1148.7-0.5112.7E345 I349 I512 E513 M519 H522E345-R516 IonicContact OE2-CZ 2.75Å; E345-R516 IonicContact OE2-NH1 3.63Å; E345-R516 PolarHBondContact OE2-NH1 2.87Å; E345-R516 IonicContact OE2-NH2 3.3Å; E345-R516 PolarHBondContact OE2-NH2 3.18Å; I349-R516 HydrophobicContact CD1-CG 3.79Å; I512-R516 VanDerWaalsContact CG2-CZ 3.44Å; I512-R516 WeakPolarHBondContact O-CG 3.44Å; I512-R516 PolarHBondContact O-N 3.16Å; E513-R516 CarbonylContact O-C 3.55Å; E513-R516 WeakPolarHBondContact O-CA 3.26Å; E513-R516 WeakPolarHBondContact O-CB 3.31Å; E513-R516 PolarHBondContact O-N 3.27Å; R516-M519 HydrophobicContact CG-CE 4.47Å; R516-H522 HydrophobicContact CB-CB 4.07Å
517E97.5Very high97.2Very high125 Ų12542 Ų4258%0.58421%0.214SC*.Hα-helixtrans-77.3-32.4175.6-67167.7178.400113.5E513 K514 V515 K568E513-E517 WeakPolarHBondContact O-CG 3.45Å; E513-E517 PolarHBondContact O-N 2.81Å; K514-E517 PolarHBondContact O-N 2.84Å; V515-E517 VanDerWaalsContact C-N 3.28Å; V515-E517 PolarHBondContact O-N 2.86Å; E517-K568 PolarHBondContact O-NZ 3Å
518D97.9Very high96.9Very high11 Ų1143.2 Ų43.26%0.05923%0.226CC..Hα-helixtrans-70.5-36.1176.7-71.9-28.4000112R510 K514 V515 R545 A546 V547 K568R510-D518 IonicContact CZ-OD1 3.75Å; R510-D518 IonicContact CZ-OD2 2.71Å; R510-D518 IonicContact NE-OD1 2.61Å; R510-D518 IonicContact NE-OD2 3.98Å; R510-D518 PolarHBondContact NE-OD2 3.3Å; R510-D518 IonicContact NH2-OD1 2.95Å; R510-D518 PolarHBondContact NH2-OD1 3.03Å; R510-D518 IonicContact NH2-OD2 2.66Å; R510-D518 PolarHBondContact NH2-OD2 3.26Å; K514-D518 WeakPolarHBondContact O-CB 3.26Å; K514-D518 PolarHBondContact O-N 2.85Å; V515-D518 PolarHBondContact O-N 3.33Å; D518-R545 IonicContact OD1-NH1 3.99Å; D518-R545 WeakPolarHBondContact OD2-CA 3.41Å; D518-A546 CarbonylContact C-O 3.45Å; D518-A546 HydrophobicContact CB-CB 4.03Å; D518-A546 PolarHBondContact OD2-N 3.34Å; D518-V547 HydrophobicContact CB-CG1 4.3Å; D518-V547 WeakPolarHBondContact O-CA 3.41Å; D518-K568 WeakPolarHBondContact O-CD 3.36Å
519M97.3Very high96.5Very high1 Ų144.8 Ų44.81%0.00524%0.243CC..SBendtrans-72.3149.3-178.1-65.6-171.8-66.900112.9I349 V515 R516 L526 E536 A546 K568I349-M519 HydrophobicContact CD1-CE 4.34Å; I349-M519 HydrophobicContact CG1-CE 4.28Å; V515-M519 HydrophobicContact CG1-CE 4.24Å; V515-M519 WeakPolarHBondContact O-CG 3.36Å; V515-M519 PolarHBondContact O-N 3.39Å; R516-M519 HydrophobicContact CG-CE 4.47Å; M519-L526 HydrophobicContact SD-CD2 3.97Å; M519-E536 HydrophobicContact CB-CG 4.43Å; M519-E536 HydrophobicContact CG-CB 4.21Å; M519-E536 HydrophobicContact CG-CG 3.66Å; M519-E536 HydrophobicContact SD-CB 4.21Å; M519-E536 HydrophobicContact SD-CG 3.9Å; M519-A546 HydrophobicContact CG-CB 4.28Å; M519-A546 WeakPolarHBondContact CG-O 3.36Å; M519-A546 PolarHBondContact N-O 2.79Å; M519-K568 PolarHBondContact O-NZ 3.13Å
520D96.4Very high96Very high50 Ų5051.2 Ų51.227%0.26727%0.273SS..SBendtrans-69.4-38.6171.7-74.4-15.6000111.6S548 N549 L567 K568D520-S548 PolarHBondContact N-OG 2.95Å; D520-N549 PolarHBondContact OD2-ND2 2.86Å; D520-L567 WeakPolarHBondContact OD2-CD2 3.19Å; D520-K568 VanDerWaalsContact OD1-CB 3.31Å; D520-K568 WeakPolarHBondContact OD1-CB 3.16Å; D520-K568 VanDerWaalsContact OD1-CG 3.31Å; D520-K568 WeakPolarHBondContact OD1-CG 3.3Å; D520-K568 PolarHBondContact OD1-N 3.3Å
521L94.4Very high95.7Very high91 Ų9151.3 Ų51.348%0.47628%0.277SS..SBendtrans-119.899.6176.4179.958.3000110.5T523 T524L521-T523 WeakPolarHBondContact CD1-OG1 3.4Å; L521-T523 WeakPolarHBondContact CG-OG1 3.2Å; L521-T523 PolarHBondContact O-N 3.37Å; L521-T524 WeakPolarHBondContact O-CB 3.44Å; L521-T524 PolarHBondContact O-N 3.11Å; L521-T524 PolarHBondContact O-OG1 3.11Å
522H92.6Very high95.5Very high119 Ų11954.5 Ų54.555%0.55129%0.285SS*.THydrogen-bonded Turntrans-59.2-8-177.166.1-95000116R516R516-H522 HydrophobicContact CB-CB 4.07Å
523T92.1Very high95.5Very high94 Ų9454.8 Ų54.858%0.57729%0.287SS*.THydrogen-bonded Turntrans-99.5-4.3175.762.90000114L521L521-T523 WeakPolarHBondContact CD1-OG1 3.4Å; L521-T523 WeakPolarHBondContact CG-OG1 3.2Å; L521-T523 PolarHBondContact O-N 3.37Å
524T94.3Very high95.4Very high36 Ų3651.4 Ų51.422%0.22127%0.273CS..  trans-69.9132.3177.5-61.70000110L521L521-T524 WeakPolarHBondContact O-CB 3.44Å; L521-T524 PolarHBondContact O-N 3.11Å; L521-T524 PolarHBondContact O-OG1 3.11Å
525P97.4Very high95.3Very high38 Ų3849.9 Ų49.925%0.24727%0.266CS..  trans-79.2136.2174.432.8-34.4000110.9I349 I527 T534I349-P525 WeakPolarHBondContact O-CA 3.37Å; P525-I527 PolarHBondContact O-N 2.95Å; P525-T534 VanDerWaalsContact O-CG2 3.23Å; P525-T534 WeakPolarHBondContact O-CG2 3.36Å
526L98.3Very high95.3Very high0 Ų051 Ų510%027%0.272CS..SBendtrans-62.7-26.4179.6-71.1177.9000113.5I349 L350 V507 V515 M519 T534 E536 L537 A546I349-L526 PolarHBondContact O-N 3.27Å; L350-L526 HydrophobicContact CD2-CB 4.21Å; L350-L526 HydrophobicContact CD2-CD1 3.99Å; V507-L526 HydrophobicContact CG2-CD1 3.57Å; V515-L526 HydrophobicContact CG1-CD1 3.94Å; V515-L526 HydrophobicContact CG1-CD2 4.35Å; V515-L526 HydrophobicContact CG1-CG 4.47Å; M519-L526 HydrophobicContact SD-CD2 3.97Å; L526-T534 WeakPolarHBondContact CA-OG1 3.47Å; L526-T534 WeakPolarHBondContact O-CB 3.31Å; L526-T534 WeakPolarHBondContact O-CG2 3.49Å; L526-T534 PolarHBondContact O-N 3.33Å; L526-T534 VanDerWaalsContact O-N 3.16Å; L526-T534 PolarHBondContact O-OG1 2.97Å; L526-E536 HydrophobicContact CD2-CB 3.63Å; L526-L537 HydrophobicContact CB-CB 4.17Å; L526-L537 HydrophobicContact CB-CD1 4.39Å; L526-L537 HydrophobicContact CD1-CD1 4.45Å; L526-L537 HydrophobicContact CD2-CB 4.29Å; L526-L537 WeakPolarHBondContact O-CB 3.33Å; L526-L537 WeakPolarHBondContact O-CD2 3.31Å; L526-A546 HydrophobicContact CD2-CB 4.49Å
527I98Very high95.4Very high9 Ų947.8 Ų47.85%0.04626%0.26CS..BIsolated β-bridgetrans-105116.5167.8-55172.2000107.3L350 L351 F358 W362 P525 L537L350-I527 VanDerWaalsContact O-CB 3.31Å; L350-I527 WeakPolarHBondContact O-CB 3.36Å; L350-I527 PolarHBondContact O-N 3.43Å; L351-I527 HydrophobicContact CD2-CB 4.24Å; L351-I527 HydrophobicContact CD2-CD1 3.98Å; F358-I527 HydrophobicContact CD1-CD1 4.07Å; F358-I527 HydrophobicContact CE1-CD1 3.7Å; W362-I527 HydrophobicContact CD2-CD1 4.04Å; W362-I527 HydrophobicContact CE3-CD1 4Å; W362-I527 HydrophobicContact CH2-CD1 3.67Å; W362-I527 HydrophobicContact CH2-CG1 3.85Å; W362-I527 HydrophobicContact CZ2-CD1 3.72Å; W362-I527 HydrophobicContact CZ2-CG1 3.78Å; W362-I527 HydrophobicContact CZ2-CG2 3.98Å; W362-I527 HydrophobicContact CZ3-CD1 3.82Å; W362-I527 HydrophobicContact CZ3-CG1 4.47Å; P525-I527 PolarHBondContact O-N 2.95Å; I527-L537 HydrophobicContact CG1-CD2 4.11Å
528G94.1Very high95.4Very high25 Ų2541.8 Ų41.826%0.25823%0.232SC..  trans-78.7-169-174.700000114G531 Y532G528-G531 PolarHBondContact O-N 3.14Å; G528-Y532 PolarHBondContact N-O 2.92Å
529A89.3Confident95.4Very high65 Ų6541.3 Ų41.354%0.53723%0.229SC..G310 helixtrans-53.9147.4173.600000111.1V217 G531 Y532V217-A529 HydrophobicContact CG2-CB 4.49Å; A529-G531 PolarHBondContact O-N 2.83Å; A529-Y532 VanDerWaalsContact O-CD2 3.26Å; A529-Y532 WeakPolarHBondContact O-CD2 3.4Å; A529-Y532 PolarHBondContact O-N 3.15Å
530H88.1Confident95.5Very high136 Ų13641.2 Ų41.263%0.6323%0.229SC*.G310 helixtrans58.55.6-177.4-51.5-87.2000116V217 Y532V217-H530 VanDerWaalsContact CG1-NE2 3.31Å; V217-H530 WeakPolarHBondContact CG1-NE2 3.26Å; H530-Y532 HydrophobicContact CB-CD2 3.95Å; H530-Y532 HydrophobicContact CB-CE2 3.72Å
531G92.8Very high95.6Very high12 Ų1238.9 Ų38.912%0.12422%0.216CC..G310 helixtrans87.812.7179.700000114.6W362 G385 G528 A529W362-G531 PolarHBondContact NE1-O 3.01Å; G385-G531 CarbonylContact C-O 3.48Å; G385-G531 VanDerWaalsContact C-O 3.29Å; G385-G531 WeakPolarHBondContact CA-O 3.41Å; G528-G531 PolarHBondContact O-N 3.14Å; A529-G531 PolarHBondContact O-N 2.83Å
532Y94.4Very high95.8Very high100 Ų10034.6 Ų34.639%0.39219%0.194SC..PPolyproline II helixtrans-70148.6174-64-68.8000111.9G528 A529 H530G528-Y532 PolarHBondContact N-O 2.92Å; A529-Y532 VanDerWaalsContact O-CD2 3.26Å; A529-Y532 WeakPolarHBondContact O-CD2 3.4Å; A529-Y532 PolarHBondContact O-N 3.15Å; H530-Y532 HydrophobicContact CB-CD2 3.95Å; H530-Y532 HydrophobicContact CB-CE2 3.72Å
533C96.9Very high96Very high11 Ų1130.3 Ų30.37%0.07418%0.177CC..BIsolated β-bridgetrans-68.5136.6170.2-59.40000111.1G385 G388 L537 V538 F610G385-C533 PolarHBondContact O-N 3.33Å; G388-C533 PolarHBondContact N-SG 2.95Å; C533-L537 HydrophobicContact CB-CD2 4.22Å; C533-V538 HydrophobicContact CB-CG2 4.19Å; C533-F610 HydrophobicContact CB-CE2 4.45Å
534T97.1Very high96.3Very high20 Ų2026 Ų2612%0.12315%0.151CC..PPolyproline II helixtrans-78.9164.316857.30000111.9P525 L526 E536 L537 V538P525-T534 VanDerWaalsContact O-CG2 3.23Å; P525-T534 WeakPolarHBondContact O-CG2 3.36Å; L526-T534 WeakPolarHBondContact CA-OG1 3.47Å; L526-T534 WeakPolarHBondContact O-CB 3.31Å; L526-T534 WeakPolarHBondContact O-CG2 3.49Å; L526-T534 PolarHBondContact O-N 3.33Å; L526-T534 VanDerWaalsContact O-N 3.16Å; L526-T534 PolarHBondContact O-OG1 2.97Å; T534-E536 VanDerWaalsContact C-N 3.28Å; T534-E536 WeakPolarHBondContact CB-OE2 3.37Å; T534-E536 PolarHBondContact O-N 2.87Å; T534-L537 PolarHBondContact O-N 2.6Å; T534-L537 PolarHBondContact OG1-N 2.95Å; T534-V538 PolarHBondContact O-N 2.76Å; T534-V538 VanDerWaalsContact O-N 3.09Å
535Q96.8Very high96.5Very high37 Ų3728.2 Ų28.217%0.17316%0.155CC..Hα-helixtrans-67.1-34175.6-170.158.954.900111.2L537 V538 N539 V550Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 2.61Å; Q535-V538 PolarHBondContact O-N 3.39Å; Q535-N539 PolarHBondContact NE2-OD1 3.43Å; Q535-N539 VanDerWaalsContact O-CB 3.26Å; Q535-N539 WeakPolarHBondContact O-CB 3.26Å; Q535-N539 VanDerWaalsContact O-CG 3.24Å; Q535-N539 PolarHBondContact O-N 2.93Å; Q535-V550 VanDerWaalsContact CD-CG1 3.5Å; Q535-V550 HydrophobicContact CG-CG1 3.73Å
536E98.3Very high96.5Very high23 Ų2326.4 Ų26.411%0.10714%0.143CC..Hα-helixtrans-53.9-46.3169.9-68.278.9172.500111.7M519 L526 T534 L540 A546 S548M519-E536 HydrophobicContact CB-CG 4.43Å; M519-E536 HydrophobicContact CG-CB 4.21Å; M519-E536 HydrophobicContact CG-CG 3.66Å; M519-E536 HydrophobicContact SD-CB 4.21Å; M519-E536 HydrophobicContact SD-CG 3.9Å; L526-E536 HydrophobicContact CD2-CB 3.63Å; T534-E536 VanDerWaalsContact C-N 3.28Å; T534-E536 WeakPolarHBondContact CB-OE2 3.37Å; T534-E536 PolarHBondContact O-N 2.87Å; E536-L540 WeakPolarHBondContact O-CB 3.39Å; E536-L540 PolarHBondContact O-N 2.84Å; E536-A546 WeakPolarHBondContact O-CA 3.48Å; E536-S548 WeakPolarHBondContact OE1-CB 3.38Å; E536-S548 PolarHBondContact OE1-OG 3.39Å
537L98.7Very high96.5Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-69.4-39.8178.8-179.257.3000112.4W362 V389 V503 L526 I527 C533 T534 Q535 L541W362-L537 HydrophobicContact CH2-CD2 4.01Å; V389-L537 HydrophobicContact CG2-CD2 4.2Å; V503-L537 HydrophobicContact CG1-CD1 3.76Å; V503-L537 HydrophobicContact CG2-CD1 4.03Å; L526-L537 HydrophobicContact CB-CB 4.17Å; L526-L537 HydrophobicContact CB-CD1 4.39Å; L526-L537 HydrophobicContact CD1-CD1 4.45Å; L526-L537 HydrophobicContact CD2-CB 4.29Å; L526-L537 WeakPolarHBondContact O-CB 3.33Å; L526-L537 WeakPolarHBondContact O-CD2 3.31Å; I527-L537 HydrophobicContact CG1-CD2 4.11Å; C533-L537 HydrophobicContact CB-CD2 4.22Å; T534-L537 PolarHBondContact O-N 2.6Å; T534-L537 PolarHBondContact OG1-N 2.95Å; Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 2.61Å; L537-L541 WeakPolarHBondContact O-CG 3.4Å; L537-L541 PolarHBondContact O-N 3.42Å
538V98.6Very high96.4Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-65.6-47.4175.6171.90000110.2C533 T534 Q535 L540 L541 L542 L578 F610C533-V538 HydrophobicContact CB-CG2 4.19Å; T534-V538 PolarHBondContact O-N 2.76Å; T534-V538 VanDerWaalsContact O-N 3.09Å; Q535-V538 PolarHBondContact O-N 3.39Å; V538-L540 VanDerWaalsContact C-N 3.32Å; V538-L540 PolarHBondContact O-N 3.29Å; V538-L541 PolarHBondContact O-N 3.46Å; V538-L542 HydrophobicContact CG1-CD1 3.61Å; V538-L542 HydrophobicContact CG1-CG 3.99Å; V538-L542 WeakPolarHBondContact O-CG 3.42Å; V538-L542 PolarHBondContact O-N 3.1Å; V538-L578 HydrophobicContact CG1-CD1 4.13Å; V538-F610 HydrophobicContact CG1-CE1 4.39Å; V538-F610 HydrophobicContact CG2-CD1 4.44Å; V538-F610 HydrophobicContact CG2-CE1 3.99Å; V538-F610 HydrophobicContact CG2-CE2 4.2Å; V538-F610 HydrophobicContact CG2-CZ 3.86Å
539N98.6Very high96.6Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-61.3-37.7177.9-74.6-11.3000112.4Q535 L541 L542 C543 R545 V547 N549Q535-N539 PolarHBondContact NE2-OD1 3.43Å; Q535-N539 VanDerWaalsContact O-CB 3.26Å; Q535-N539 WeakPolarHBondContact O-CB 3.26Å; Q535-N539 VanDerWaalsContact O-CG 3.24Å; Q535-N539 PolarHBondContact O-N 2.93Å; N539-L541 PolarHBondContact O-N 3.1Å; N539-L542 PolarHBondContact O-N 3.46Å; N539-C543 PolarHBondContact O-N 3.13Å; N539-C543 PolarHBondContact O-SG 3.18Å; N539-R545 CarbonylContact C-O 3.55Å; N539-V547 HydrophobicContact CB-CG2 4.2Å; N539-V547 PolarHBondContact ND2-O 2.75Å; N539-N549 PolarHBondContact ND2-O 3.17Å
540L98.8Very high97Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-57.5-37.1173.3179.560.8000112.1A438 A506 V507 R510 V515 E536 V538 G544 R545 A546A438-L540 HydrophobicContact CB-CD1 4.28Å; A506-L540 HydrophobicContact CB-CD2 4.27Å; A506-L540 HydrophobicContact CB-CG 4.41Å; V507-L540 HydrophobicContact CG2-CD2 3.78Å; R510-L540 HydrophobicContact CB-CD1 4.01Å; R510-L540 HydrophobicContact CG-CD1 4.03Å; V515-L540 HydrophobicContact CG2-CD2 4.39Å; E536-L540 WeakPolarHBondContact O-CB 3.39Å; E536-L540 PolarHBondContact O-N 2.84Å; V538-L540 VanDerWaalsContact C-N 3.32Å; V538-L540 PolarHBondContact O-N 3.29Å; L540-G544 WeakPolarHBondContact O-CA 3.48Å; L540-G544 PolarHBondContact O-N 2.8Å; L540-G544 VanDerWaalsContact O-N 3.17Å; L540-R545 WeakPolarHBondContact CA-O 3.4Å; L540-R545 PolarHBondContact N-O 3.49Å; L540-R545 VanDerWaalsContact N-O 3.13Å; L540-A546 HydrophobicContact CB-CB 4.13Å; L540-A546 HydrophobicContact CD1-CB 4.48Å
541L98.8Very high97.5Very high1 Ų120 Ų201%0.00510%0.099CC..Hα-helixtrans-83.1-33.1178.4-59.5173.5000112.9V389 F396 V434 L502 A506 L537 V538 N539V389-L541 HydrophobicContact CB-CD1 4.16Å; V389-L541 HydrophobicContact CG1-CD1 4Å; V389-L541 HydrophobicContact CG2-CD1 4.06Å; F396-L541 WeakPolarHBondContact CE2-O 3.45Å; V434-L541 HydrophobicContact CG1-CB 4.18Å; V434-L541 HydrophobicContact CG1-CD2 3.61Å; L502-L541 HydrophobicContact CD2-CD2 4.41Å; L502-L541 HydrophobicContact CG-CD2 4.42Å; A506-L541 HydrophobicContact CB-CD2 3.95Å; L537-L541 WeakPolarHBondContact O-CG 3.4Å; L537-L541 PolarHBondContact O-N 3.42Å; V538-L541 PolarHBondContact O-N 3.46Å; N539-L541 PolarHBondContact O-N 3.1Å
542L98.1Very high97.7Very high1 Ų121.7 Ų21.71%0.00511%0.106CC..Hα-helixtrans-78.6-41.6-179.5-64.9-177000113.9V538 N539 V576 L578 L594 V603V538-L542 HydrophobicContact CG1-CD1 3.61Å; V538-L542 HydrophobicContact CG1-CG 3.99Å; V538-L542 WeakPolarHBondContact O-CG 3.42Å; V538-L542 PolarHBondContact O-N 3.1Å; N539-L542 PolarHBondContact O-N 3.46Å; L542-V576 HydrophobicContact CD2-CG2 3.9Å; L542-L578 HydrophobicContact CD1-CB 4.18Å; L542-L578 HydrophobicContact CD1-CD1 4Å; L542-L594 HydrophobicContact CD1-CD2 4.23Å; L542-V603 HydrophobicContact CD2-CG2 3.88Å
543C96.9Very high97.9Very high29 Ų2920.6 Ų20.620%0.19611%0.106CC..Hα-helixtrans-124.9-1.3-172.976.80000114.7N539 R545N539-C543 PolarHBondContact O-N 3.13Å; N539-C543 PolarHBondContact O-SG 3.18Å; C543-R545 VanDerWaalsContact C-N 3.33Å
544G97.9Very high97.9Very high3 Ų323 Ų233%0.03112%0.119CC..SBendtrans79.19.9-179.100000114.8R510 L540R510-G544 WeakPolarHBondContact CD-O 3.43Å; L540-G544 WeakPolarHBondContact O-CA 3.48Å; L540-G544 PolarHBondContact O-N 2.8Å; L540-G544 VanDerWaalsContact O-N 3.17Å
545R98.3Very high97.7Very high82 Ų8224.6 Ų24.631%0.30913%0.128SC..SBendtrans-136136178.3-63.7177.5178.1-894.5111.3D518 N539 L540 C543 V547D518-R545 IonicContact OD1-NH1 3.99Å; D518-R545 WeakPolarHBondContact OD2-CA 3.41Å; N539-R545 CarbonylContact C-O 3.55Å; L540-R545 WeakPolarHBondContact CA-O 3.4Å; L540-R545 PolarHBondContact N-O 3.49Å; L540-R545 VanDerWaalsContact N-O 3.13Å; C543-R545 VanDerWaalsContact C-N 3.33Å; R545-V547 HydrophobicContact CB-CG1 4.18Å; R545-V547 PolarHBondContact O-N 3.15Å
546A98.3Very high97.6Very high0 Ų028.9 Ų28.90%015%0.148CC..  trans-83.444.5-177.800000113.3V515 D518 M519 L526 E536 L540V515-A546 HydrophobicContact CB-CB 4.4Å; V515-A546 HydrophobicContact CG1-CB 3.75Å; V515-A546 HydrophobicContact CG2-CB 4.46Å; D518-A546 CarbonylContact C-O 3.45Å; D518-A546 HydrophobicContact CB-CB 4.03Å; D518-A546 PolarHBondContact OD2-N 3.34Å; M519-A546 HydrophobicContact CG-CB 4.28Å; M519-A546 WeakPolarHBondContact CG-O 3.36Å; M519-A546 PolarHBondContact N-O 2.79Å; L526-A546 HydrophobicContact CD2-CB 4.49Å; E536-A546 WeakPolarHBondContact O-CA 3.48Å; L540-A546 HydrophobicContact CB-CB 4.13Å; L540-A546 HydrophobicContact CD1-CB 4.48Å
547V97.9Very high97.1Very high4 Ų431.8 Ų31.82%0.02416%0.164CC..  trans-71.8142.1-178.8-640000111.2D518 N539 R545 N549 K568 I570D518-V547 HydrophobicContact CB-CG1 4.3Å; D518-V547 WeakPolarHBondContact O-CA 3.41Å; N539-V547 HydrophobicContact CB-CG2 4.2Å; N539-V547 PolarHBondContact ND2-O 2.75Å; R545-V547 HydrophobicContact CB-CG1 4.18Å; R545-V547 PolarHBondContact O-N 3.15Å; V547-N549 PolarHBondContact O-N 3.11Å; V547-K568 HydrophobicContact CB-CB 4.45Å; V547-K568 HydrophobicContact CG1-CB 4.3Å; V547-I570 HydrophobicContact CG2-CD1 3.81Å
548S96.8Very high96.5Very high19 Ų1936.9 Ų36.913%0.13319%0.191CC..SBendtrans-73.1-22.7-173.4-66.60000114.5D520 E536D520-S548 PolarHBondContact N-OG 2.95Å; E536-S548 WeakPolarHBondContact OE1-CB 3.38Å; E536-S548 PolarHBondContact OE1-OG 3.39Å
549N97.6Very high95.7Very high31 Ų3140 Ų4017%0.16621%0.213CC..  trans-115.9166.7-170.7-53.2-87000113.5D520 N539 V547 F551 K568D520-N549 PolarHBondContact OD2-ND2 2.86Å; N539-N549 PolarHBondContact ND2-O 3.17Å; V547-N549 PolarHBondContact O-N 3.11Å; N549-F551 HydrophobicContact CB-CD1 3.71Å; N549-F551 HydrophobicContact CB-CD2 4.43Å; N549-F551 HydrophobicContact CB-CE1 3.27Å; N549-F551 HydrophobicContact CB-CE2 4.05Å; N549-F551 HydrophobicContact CB-CG 4.27Å; N549-F551 HydrophobicContact CB-CZ 3.45Å; N549-F551 VanDerWaalsContact CB-CZ 3.45Å; N549-K568 WeakPolarHBondContact CB-O 3.17Å; N549-K568 PolarHBondContact N-O 2.66Å; N549-K568 PolarHBondContact ND2-N 3.07Å; N549-K568 PolarHBondContact ND2-O 2.86Å
550V97.7Very high94.8Very high10 Ų1043.2 Ų43.26%0.06125%0.247CC..  trans-113.14.2-177.2-66.10000114Q535 L578 C588 V590 G591 L594Q535-V550 VanDerWaalsContact CD-CG1 3.5Å; Q535-V550 HydrophobicContact CG-CG1 3.73Å; V550-L578 HydrophobicContact CG1-CD2 4.19Å; V550-C588 HydrophobicContact CG2-CB 4.42Å; V550-V590 HydrophobicContact CB-CG2 4.49Å; V550-V590 HydrophobicContact CG2-CG2 4Å; V550-G591 PolarHBondContact O-N 2.67Å; V550-L594 HydrophobicContact CB-CD1 3.82Å; V550-L594 HydrophobicContact CG1-CD1 3.91Å
551F97.8Very high94Very high36 Ų3648.4 Ų48.416%0.15827%0.274CS..SBendtrans-81.9167.6171.454.1-112.4000111.9N549 N553 V555 L567 G569 I570 K589N549-F551 HydrophobicContact CB-CD1 3.71Å; N549-F551 HydrophobicContact CB-CD2 4.43Å; N549-F551 HydrophobicContact CB-CE1 3.27Å; N549-F551 HydrophobicContact CB-CE2 4.05Å; N549-F551 HydrophobicContact CB-CG 4.27Å; N549-F551 HydrophobicContact CB-CZ 3.45Å; N549-F551 VanDerWaalsContact CB-CZ 3.45Å; F551-N553 WeakPolarHBondContact CD2-O 3.49Å; F551-N553 WeakPolarHBondContact CE2-O 3.46Å; F551-V555 HydrophobicContact CD1-CG2 4.49Å; F551-V555 HydrophobicContact CD2-CB 4.48Å; F551-V555 HydrophobicContact CD2-CG2 3.61Å; F551-V555 HydrophobicContact CE1-CG2 4.37Å; F551-V555 HydrophobicContact CE2-CB 3.87Å; F551-V555 HydrophobicContact CE2-CG2 3.49Å; F551-V555 VanDerWaalsContact CE2-CG2 3.49Å; F551-V555 HydrophobicContact CG-CG2 4.15Å; F551-V555 HydrophobicContact CZ-CB 3.89Å; F551-V555 HydrophobicContact CZ-CG2 3.9Å; F551-L567 HydrophobicContact CE1-CB 4.43Å; F551-L567 HydrophobicContact CZ-CB 3.73Å; F551-G569 WeakPolarHBondContact O-CA 3.31Å; F551-I570 PolarHBondContact O-N 3.02Å; F551-K589 PolarHBondContact N-O 2.64Å
552D98.1Very high93Very high49 Ų4951.7 Ų51.726%0.26231%0.308SS..BIsolated β-bridgetrans-81.7139.7177.9-49.3-51.9000111.7G591 A592 Y593D552-G591 WeakPolarHBondContact OD1-CA 3.32Å; D552-G591 WeakPolarHBondContact OD2-CA 3.16Å; D552-A592 PolarHBondContact OD1-N 3.2Å; D552-A592 PolarHBondContact OD2-N 2.92Å; D552-Y593 HydrophobicContact CB-CD2 3.89Å; D552-Y593 HydrophobicContact CB-CE2 3.91Å; D552-Y593 HydrophobicContact CB-CG 4.34Å; D552-Y593 VanDerWaalsContact OD1-CB 3.24Å; D552-Y593 WeakPolarHBondContact OD1-CB 3.46Å; D552-Y593 WeakPolarHBondContact OD1-CD2 3.4Å; D552-Y593 PolarHBondContact OD1-N 2.93Å
553N97.4Very high92.2Very high76 Ų7656.8 Ų56.841%0.40634%0.335SS..SBendtrans57.4-165.7178.9-54.1-74.3000112.9F551 G569 I570 Y593F551-N553 WeakPolarHBondContact CD2-O 3.49Å; F551-N553 WeakPolarHBondContact CE2-O 3.46Å; N553-G569 CarbonylContact O-C 3.56Å; N553-G569 WeakPolarHBondContact O-CA 3.23Å; N553-G569 PolarHBondContact O-N 3.06Å; N553-I570 PolarHBondContact N-O 2.95Å; N553-Y593 PolarHBondContact ND2-OH 2.85Å
554D96.7Very high91.6Very high63 Ų6360.4 Ų60.434%0.33735%0.351SS..  trans-94.9145.8175.5-60.6-21.6000110.5L566 L567 K568 G569 K571D554-L566 HydrophobicContact CB-CD1 3.69Å; D554-L566 HydrophobicContact CB-CG 4.22Å; D554-L567 WeakPolarHBondContact CA-O 3.46Å; D554-K568 VanDerWaalsContact OD1-CA 3.29Å; D554-K568 WeakPolarHBondContact OD1-CA 3.44Å; D554-G569 PolarHBondContact OD1-N 2.97Å; D554-K571 IonicContact OD1-NZ 3.63Å; D554-K571 PolarHBondContact OD1-NZ 3.36Å; D554-K571 IonicContact OD2-NZ 2.74Å; D554-K571 PolarHBondContact OD2-NZ 3.13Å
555V94.3Very high91.3Very high52 Ų5263.3 Ų63.332%0.31537%0.368SS..EExtended strand (participates in β ladder)trans-115.9119.4179.41730000108.9F551 L557 L567F551-V555 HydrophobicContact CD1-CG2 4.49Å; F551-V555 HydrophobicContact CD2-CB 4.48Å; F551-V555 HydrophobicContact CD2-CG2 3.61Å; F551-V555 HydrophobicContact CE1-CG2 4.37Å; F551-V555 HydrophobicContact CE2-CB 3.87Å; F551-V555 HydrophobicContact CE2-CG2 3.49Å; F551-V555 VanDerWaalsContact CE2-CG2 3.49Å; F551-V555 HydrophobicContact CG-CG2 4.15Å; F551-V555 HydrophobicContact CZ-CB 3.89Å; F551-V555 HydrophobicContact CZ-CG2 3.9Å; V555-L557 HydrophobicContact CG1-CD2 3.85Å; V555-L557 HydrophobicContact CG1-CG 4.32Å; V555-L567 PolarHBondContact N-O 2.98Å; V555-L567 PolarHBondContact O-N 3.47Å
556E93.4Very high91Very high128 Ų12863.4 Ų63.460%0.59837%0.374SS*.EExtended strand (participates in β ladder)trans-84.2122.5171.2-75-173.7-168.900110.3M564 L566E556-M564 HydrophobicContact CB-CE 4.41Å; E556-M564 HydrophobicContact CB-CG 3.74Å; E556-M564 HydrophobicContact CB-SD 3.81Å; E556-M564 HydrophobicContact CG-CG 3.97Å; E556-L566 HydrophobicContact CG-CD1 3.58Å
557L88.7Confident90.9Very high84 Ų8465.4 Ų65.444%0.4439%0.385SS..EExtended strand (participates in β ladder)trans-108.8112.8174.1-63.1-174.8000110.6V555 S559 T565 L567V555-L557 HydrophobicContact CG1-CD2 3.85Å; V555-L557 HydrophobicContact CG1-CG 4.32Å; L557-S559 PolarHBondContact O-N 3.05Å; L557-T565 PolarHBondContact N-O 3.31Å; L557-T565 PolarHBondContact O-N 2.74Å; L557-L567 HydrophobicContact CD1-CD1 3.47Å; L557-L567 VanDerWaalsContact CD1-CD1 3.47Å; L557-L567 HydrophobicContact CD1-CG 4.13Å; L557-L567 HydrophobicContact CG-CD1 4.17Å; L557-L567 HydrophobicContact CG-CG 4.47Å
558D86.4Confident90.8Very high107 Ų10767.7 Ų67.757%0.57239%0.394SS*.EExtended strand (participates in β ladder)trans-70.3124.6167.5179.912.5000109.4G560 M564D558-G560 PolarHBondContact O-N 3.36Å; D558-G560 PolarHBondContact OD1-N 3.1Å; D558-M564 HydrophobicContact CB-SD 4Å; D558-M564 PolarHBondContact N-SD 3.03Å
559S81.4Confident90.9Very high64 Ų6466.8 Ų66.845%0.44839%0.388SS..  trans-794.4176-57.90000113.4L557 N561 N563L557-S559 PolarHBondContact O-N 3.05Å; S559-N561 WeakPolarHBondContact CB-OD1 3.47Å; S559-N561 PolarHBondContact O-N 3.15Å; S559-N563 WeakPolarHBondContact CB-O 3.37Å; S559-N563 PolarHBondContact N-O 3.46Å; S559-N563 PolarHBondContact OG-O 3.39Å; S559-N563 VanDerWaalsContact OG-O 3.11Å
560G78.9Confident90.9Very high69 Ų6965.4 Ų65.471%0.71138%0.38SS*.SBendtrans72.313.1-178.500000113.7D558D558-G560 PolarHBondContact O-N 3.36Å; D558-G560 PolarHBondContact OD1-N 3.1Å
561N82.1Confident90.8Very high109 Ų10967.9 Ų67.958%0.58339%0.39SS*.SBendtrans-13210-176.66610.6000112.8S559 N563S559-N561 WeakPolarHBondContact CB-OD1 3.47Å; S559-N561 PolarHBondContact O-N 3.15Å; N561-N563 WeakPolarHBondContact OD1-CB 3.21Å; N561-N563 PolarHBondContact OD1-N 3.25Å
562G78.2Confident90.7Very high69 Ų6971.4 Ų71.471%0.71141%0.411SS*.SBendtrans87.5-8.3-176.800000115.1
563N81.8Confident90.7Very high109 Ų10975.3 Ų75.358%0.58342%0.422SS*.  trans-89.1110.5171.9-67.9-17.1000110.6S559 N561S559-N563 WeakPolarHBondContact CB-O 3.37Å; S559-N563 PolarHBondContact N-O 3.46Å; S559-N563 PolarHBondContact OG-O 3.39Å; S559-N563 VanDerWaalsContact OG-O 3.11Å; N561-N563 WeakPolarHBondContact OD1-CB 3.21Å; N561-N563 PolarHBondContact OD1-N 3.25Å
564M84.9Confident90.6Very high104 Ų10472 Ų7251%0.51241%0.405SS..EExtended strand (participates in β ladder)trans-75.8132.2168.1-156.768.285.600110.3E556 D558E556-M564 HydrophobicContact CB-CE 4.41Å; E556-M564 HydrophobicContact CB-CG 3.74Å; E556-M564 HydrophobicContact CB-SD 3.81Å; E556-M564 HydrophobicContact CG-CG 3.97Å; D558-M564 HydrophobicContact CB-SD 4Å; D558-M564 PolarHBondContact N-SD 3.03Å
565T90.1Very high90.7Very high65 Ų6571.2 Ų71.240%0.39940%0.399SS..EExtended strand (participates in β ladder)trans-108.2114.1170.2-59.30000108.7L557 L567L557-T565 PolarHBondContact N-O 3.31Å; L557-T565 PolarHBondContact O-N 2.74Å; T565-L567 HydrophobicContact CG2-CD2 3.95Å
566L93.4Very high90.8Very high84 Ų8468.8 Ų68.844%0.4438%0.384SS..EExtended strand (participates in β ladder)trans-81.5120.3173.7-171.773.2000109.5D554 E556D554-L566 HydrophobicContact CB-CD1 3.69Å; D554-L566 HydrophobicContact CB-CG 4.22Å; E556-L566 HydrophobicContact CG-CD1 3.58Å
567L95.4Very high91Very high42 Ų4262.7 Ų62.722%0.2236%0.356CS..EExtended strand (participates in β ladder)trans-105.6130.5171.6-59.9-174000110D520 F551 D554 V555 L557 T565D520-L567 WeakPolarHBondContact OD2-CD2 3.19Å; F551-L567 HydrophobicContact CE1-CB 4.43Å; F551-L567 HydrophobicContact CZ-CB 3.73Å; D554-L567 WeakPolarHBondContact CA-O 3.46Å; V555-L567 PolarHBondContact N-O 2.98Å; V555-L567 PolarHBondContact O-N 3.47Å; L557-L567 HydrophobicContact CD1-CD1 3.47Å; L557-L567 VanDerWaalsContact CD1-CD1 3.47Å; L557-L567 HydrophobicContact CD1-CG 4.13Å; L557-L567 HydrophobicContact CG-CD1 4.17Å; L557-L567 HydrophobicContact CG-CG 4.47Å; T565-L567 HydrophobicContact CG2-CD2 3.95Å
568K96.5Very high91.5Very high51 Ų5158.7 Ų58.722%0.22234%0.335CS..  trans-93125.9-170.8-61.5162.6-166.7171.70112.1E517 D518 M519 D520 V547 N549 D554E517-K568 PolarHBondContact O-NZ 3Å; D518-K568 WeakPolarHBondContact O-CD 3.36Å; M519-K568 PolarHBondContact O-NZ 3.13Å; D520-K568 VanDerWaalsContact OD1-CB 3.31Å; D520-K568 WeakPolarHBondContact OD1-CB 3.16Å; D520-K568 VanDerWaalsContact OD1-CG 3.31Å; D520-K568 WeakPolarHBondContact OD1-CG 3.3Å; D520-K568 PolarHBondContact OD1-N 3.3Å; V547-K568 HydrophobicContact CB-CB 4.45Å; V547-K568 HydrophobicContact CG1-CB 4.3Å; N549-K568 WeakPolarHBondContact CB-O 3.17Å; N549-K568 PolarHBondContact N-O 2.66Å; N549-K568 PolarHBondContact ND2-N 3.07Å; N549-K568 PolarHBondContact ND2-O 2.86Å; D554-K568 VanDerWaalsContact OD1-CA 3.29Å; D554-K568 WeakPolarHBondContact OD1-CA 3.44Å
569G97.6Very high92.1Very high0 Ų053.6 Ų53.60%031%0.308CS..  trans-118.4-171.417800000113.7F551 N553 D554F551-G569 WeakPolarHBondContact O-CA 3.31Å; N553-G569 CarbonylContact O-C 3.56Å; N553-G569 WeakPolarHBondContact O-CA 3.23Å; N553-G569 PolarHBondContact O-N 3.06Å; D554-G569 PolarHBondContact OD1-N 2.97Å
570I98.3Very high92.8Very high2 Ų250.7 Ų50.71%0.0129%0.288CS..BIsolated β-bridgetrans-69.9132.4-174.6-53.7-67.9000109.2V547 F551 N553 D572 Y593 L594V547-I570 HydrophobicContact CG2-CD1 3.81Å; F551-I570 PolarHBondContact O-N 3.02Å; N553-I570 PolarHBondContact N-O 2.95Å; I570-D572 WeakPolarHBondContact CG2-O 3.49Å; I570-Y593 HydrophobicContact CB-CD2 4.27Å; I570-Y593 HydrophobicContact CG2-CD2 4.04Å; I570-Y593 HydrophobicContact CG2-CG 4.42Å; I570-Y593 VanDerWaalsContact O-CD2 3.26Å; I570-Y593 WeakPolarHBondContact O-CD2 3.48Å; I570-Y593 WeakPolarHBondContact O-CE2 3.47Å; I570-L594 HydrophobicContact CD1-CD1 3.71Å; I570-L594 HydrophobicContact CD1-CG 4.13Å; I570-L594 HydrophobicContact CG1-CD1 3.61Å; I570-L594 HydrophobicContact CG1-CG 3.91Å
571K96.4Very high93.7Very high62 Ų6247.4 Ų47.427%0.2725%0.254SS..  trans-88.9-34.2-172.6-60.4-51.3-166.7177.80114.3D554 Y593D554-K571 IonicContact OD1-NZ 3.63Å; D554-K571 PolarHBondContact OD1-NZ 3.36Å; D554-K571 IonicContact OD2-NZ 2.74Å; D554-K571 PolarHBondContact OD2-NZ 3.13Å; K571-Y593 VanDerWaalsContact O-CE2 3.23Å; K571-Y593 WeakPolarHBondContact O-CE2 3.4Å
572D95.9Very high94.3Very high111 Ų11144.6 Ų44.659%0.59424%0.236SC*.SBendtrans-140.6152.6-167.4-58.6-83.9000109.9I570 C574I570-D572 WeakPolarHBondContact CG2-O 3.49Å; D572-C574 PolarHBondContact O-N 3.34Å
573R96.3Very high95.2Very high130 Ų13042.5 Ų42.549%0.49121%0.208SC..  trans-60.9119.5178.2-174.3-168.7-178.3-161.43.5111Y593 S596 P597R573-Y593 HydrophobicContact CB-CD1 4.33Å; R573-S596 PolarHBondContact NE-O 2.95Å; R573-S596 PolarHBondContact NH2-O 3.32Å; R573-P597 PolarHBondContact NH2-O 3.44Å
574C97Very high95.8Very high7 Ų741 Ų415%0.04720%0.197CC..  trans-71.6157.7-177.5-61.30000112.5D572 V576 Y593 L594 P597 S598D572-C574 PolarHBondContact O-N 3.34Å; C574-V576 WeakPolarHBondContact CB-O 3.37Å; C574-Y593 WeakPolarHBondContact CB-O 3.3Å; C574-Y593 PolarHBondContact N-O 3.38Å; C574-L594 HydrophobicContact CB-CD2 4.18Å; C574-P597 WeakPolarHBondContact O-CA 3.32Å; C574-S598 PolarHBondContact O-N 2.97Å; C574-S598 PolarHBondContact O-OG 3.36Å
575Q96.9Very high96.3Very high47 Ų4741.2 Ų41.222%0.2219%0.193CC..SBendtrans-82.2-42.2176.7-66.7-1523.700112.5F396 E433 R437 S598 Y599F396-Q575 HydrophobicContact CE1-CB 4.45Å; E433-Q575 PolarHBondContact OE1-OE1 2.86Å; R437-Q575 VanDerWaalsContact NH2-NE2 3.16Å; Q575-S598 PolarHBondContact O-N 3.29Å; Q575-Y599 HydrophobicContact CB-CD2 4.2Å; Q575-Y599 HydrophobicContact CB-CE2 4.4Å; Q575-Y599 WeakPolarHBondContact O-CD2 3.48Å; Q575-Y599 PolarHBondContact O-N 3.26Å
576V98.1Very high96.5Very high0 Ų045.1 Ų45.10%021%0.212CC..SBendtrans-111.2150.7163.4-60.70000108.4A395 F396 K399 L542 C574 I601A395-V576 HydrophobicContact CB-CB 4.12Å; A395-V576 HydrophobicContact CB-CG1 4.26Å; A395-V576 HydrophobicContact CB-CG2 4.01Å; F396-V576 HydrophobicContact CD2-CG2 3.94Å; F396-V576 HydrophobicContact CE1-CG2 4.32Å; F396-V576 HydrophobicContact CE2-CG2 3.59Å; F396-V576 HydrophobicContact CG-CG2 4.45Å; F396-V576 HydrophobicContact CZ-CG2 3.79Å; K399-V576 HydrophobicContact CB-CG1 4.12Å; K399-V576 HydrophobicContact CG-CG1 4.42Å; L542-V576 HydrophobicContact CD2-CG2 3.9Å; C574-V576 WeakPolarHBondContact CB-O 3.37Å; V576-I601 HydrophobicContact CB-CB 4.35Å; V576-I601 HydrophobicContact CB-CG2 4.42Å; V576-I601 HydrophobicContact CG1-CB 3.99Å; V576-I601 HydrophobicContact CG1-CD1 4.28Å; V576-I601 HydrophobicContact CG1-CG2 4.15Å
577G97.8Very high96.5Very high0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-103.9-173-168.800000114.3L594 P597 I601 W602 V603G577-L594 CarbonylContact C-O 3.54Å; G577-L594 WeakPolarHBondContact CA-O 3.36Å; G577-P597 VanDerWaalsContact N-CB 3.33Å; G577-I601 PolarHBondContact N-O 3.24Å; G577-W602 WeakPolarHBondContact O-CA 3.34Å; G577-V603 PolarHBondContact O-N 2.93Å
578L98.6Very high96.4Very high0 Ų045.8 Ų45.80%022%0.218CC..EExtended strand (participates in β ladder)trans-139144.3170-178.4146.6000110V538 L542 V550 V590 L594 V603V538-L578 HydrophobicContact CG1-CD1 4.13Å; L542-L578 HydrophobicContact CD1-CB 4.18Å; L542-L578 HydrophobicContact CD1-CD1 4Å; V550-L578 HydrophobicContact CG1-CD2 4.19Å; L578-V590 HydrophobicContact CD2-CG1 4.39Å; L578-V590 HydrophobicContact CD2-CG2 4.14Å; L578-L594 HydrophobicContact CB-CB 4.27Å; L578-L594 HydrophobicContact CB-CD1 4.16Å; L578-L594 HydrophobicContact CB-CD2 3.94Å; L578-L594 HydrophobicContact CB-CG 4.36Å; L578-L594 PolarHBondContact N-O 3.15Å; L578-V603 CarbonylContact C-O 3.32Å; L578-V603 VanDerWaalsContact CA-O 3.24Å; L578-V603 WeakPolarHBondContact CA-O 3.38Å
579L98.2Very high96.3Very high0 Ų050.6 Ų50.60%024%0.238CC..EExtended strand (participates in β ladder)trans-124.4150.8165.6-59.8176.7000108.1K595 W602 V603 C605 L613 C672 R676L579-K595 HydrophobicContact CD2-CG 4.45Å; L579-W602 HydrophobicContact CD1-CB 4.26Å; L579-W602 HydrophobicContact CD1-CG 4.16Å; L579-W602 HydrophobicContact CG-CB 4.03Å; L579-W602 HydrophobicContact CG-CG 3.95Å; L579-V603 PolarHBondContact N-O 3.47Å; L579-C605 PolarHBondContact O-N 3.01Å; L579-L613 HydrophobicContact CD1-CD2 4.16Å; L579-C672 HydrophobicContact CB-CB 4.47Å; L579-R676 HydrophobicContact CD2-CB 3.8Å
580S97.2Very high96.3Very high4 Ų450.8 Ų50.83%0.02824%0.239CC..EExtended strand (participates in β ladder)trans-143.2134.5-179-172.90000113.4F582 E583 C605S580-F582 PolarHBondContact O-N 2.86Å; S580-F582 WeakPolarHBondContact OG-CD2 3.47Å; S580-F582 PolarHBondContact OG-N 3.36Å; S580-E583 WeakPolarHBondContact O-CB 3.39Å; S580-E583 PolarHBondContact O-N 3.07Å; S580-E583 VanDerWaalsContact O-N 3.08Å; S580-C605 WeakPolarHBondContact CA-O 3.38Å; S580-C605 PolarHBondContact OG-O 3.07Å
581L96.3Very high96.3Very high0 Ų050.8 Ų50.80%024%0.24CC..Hα-helixtrans-60.7-30.2172.3-172.166.5000111.8E583 H584 Y585 C605 E607 P668 L671 C672L581-E583 PolarHBondContact O-N 3.25Å; L581-H584 WeakPolarHBondContact O-CB 3.4Å; L581-H584 PolarHBondContact O-N 2.78Å; L581-H584 VanDerWaalsContact O-N 3.07Å; L581-Y585 HydrophobicContact CD1-CE2 4.3Å; L581-Y585 HydrophobicContact CD2-CE2 3.66Å; L581-Y585 HydrophobicContact CG-CD2 4.15Å; L581-Y585 HydrophobicContact CG-CE2 3.55Å; L581-Y585 PolarHBondContact O-N 3.42Å; L581-Y585 VanDerWaalsContact O-N 3.11Å; L581-C605 PolarHBondContact N-O 2.8Å; L581-E607 HydrophobicContact CD2-CG 3.72Å; L581-P668 HydrophobicContact CD1-CB 4.07Å; L581-P668 HydrophobicContact CD2-CB 4.03Å; L581-L671 HydrophobicContact CD1-CB 3.72Å; L581-L671 HydrophobicContact CD1-CD1 4.08Å; L581-C672 PolarHBondContact N-SG 3.38Å; L581-C672 VanDerWaalsContact N-SG 3.41Å
582F96.4Very high96.3Very high49 Ų4950.5 Ų50.522%0.21525%0.25CC..Hα-helixtrans-63.3-21.2175.9-62.8-61.1000113.3S580 N586 I587 C588 E607S580-F582 PolarHBondContact O-N 2.86Å; S580-F582 WeakPolarHBondContact OG-CD2 3.47Å; S580-F582 PolarHBondContact OG-N 3.36Å; F582-N586 PolarHBondContact O-N 3.25Å; F582-I587 HydrophobicContact CB-CB 4.21Å; F582-I587 HydrophobicContact CB-CG2 4.43Å; F582-I587 HydrophobicContact CD1-CD1 4.02Å; F582-I587 WeakPolarHBondContact O-CA 3.36Å; F582-I587 WeakPolarHBondContact O-CB 3.39Å; F582-I587 PolarHBondContact O-N 3.41Å; F582-C588 PolarHBondContact O-N 3.4Å; F582-E607 WeakPolarHBondContact CE2-O 3.29Å; F582-E607 WeakPolarHBondContact CZ-O 3.36Å
583E96.4Very high96.4Very high25 Ų2548.4 Ų48.412%0.11723%0.234CC..Hα-helixtrans-78.2-37.8171.7179.5175-143.400112.1S580 L581 Y585 N586 C588 V590 K595 T675S580-E583 WeakPolarHBondContact O-CB 3.39Å; S580-E583 PolarHBondContact O-N 3.07Å; S580-E583 VanDerWaalsContact O-N 3.08Å; L581-E583 PolarHBondContact O-N 3.25Å; E583-Y585 VanDerWaalsContact C-N 3.26Å; E583-Y585 PolarHBondContact O-N 3.45Å; E583-N586 WeakPolarHBondContact O-CA 3.32Å; E583-N586 PolarHBondContact O-N 3.1Å; E583-C588 WeakPolarHBondContact CA-O 3.29Å; E583-V590 HydrophobicContact CB-CG2 4.24Å; E583-V590 PolarHBondContact OE1-N 3.39Å; E583-V590 WeakPolarHBondContact OE2-CB 3.44Å; E583-V590 WeakPolarHBondContact OE2-CG2 3.43Å; E583-K595 IonicContact OE1-NZ 3.24Å; E583-K595 PolarHBondContact OE1-NZ 3.36Å; E583-K595 WeakPolarHBondContact OE2-CE 3.29Å; E583-K595 IonicContact OE2-NZ 2.92Å; E583-K595 PolarHBondContact OE2-NZ 3.38Å; E583-T675 HydrophobicContact CB-CG2 4.21Å; E583-T675 HydrophobicContact CG-CG2 4.31Å; E583-T675 WeakPolarHBondContact OE2-CB 3.2Å
584H94.6Very high96.4Very high78 Ų7842.2 Ų42.236%0.36121%0.21SC..Hα-helixtrans-59.2-41171.5174.375.8000111L581 N586 L671 T675L581-H584 WeakPolarHBondContact O-CB 3.4Å; L581-H584 PolarHBondContact O-N 2.78Å; L581-H584 VanDerWaalsContact O-N 3.07Å; H584-N586 PolarHBondContact O-N 2.95Å; H584-N586 PolarHBondContact O-ND2 2.9Å; H584-L671 HydrophobicContact CB-CB 4.34Å; H584-T675 HydrophobicContact CB-CG2 4.11Å
585Y94.8Very high96.4Very high109 Ų10943.3 Ų43.343%0.42721%0.214SC..THydrogen-bonded Turntrans-74.64.4172.8-58.7-36.3000114.8L581 E583 I587L581-Y585 HydrophobicContact CD1-CE2 4.3Å; L581-Y585 HydrophobicContact CD2-CE2 3.66Å; L581-Y585 HydrophobicContact CG-CD2 4.15Å; L581-Y585 HydrophobicContact CG-CE2 3.55Å; L581-Y585 PolarHBondContact O-N 3.42Å; L581-Y585 VanDerWaalsContact O-N 3.11Å; E583-Y585 VanDerWaalsContact C-N 3.26Å; E583-Y585 PolarHBondContact O-N 3.45Å; Y585-I587 HydrophobicContact CD2-CD1 4.43Å; Y585-I587 PolarHBondContact O-N 3.45Å
586N94Very high96.2Very high147 Ų14743.3 Ų43.379%0.78622%0.22SC*.THydrogen-bonded Turntrans56.326.3-178.2-62.6-100.3000114.1F582 E583 H584F582-N586 PolarHBondContact O-N 3.25Å; E583-N586 WeakPolarHBondContact O-CA 3.32Å; E583-N586 PolarHBondContact O-N 3.1Å; H584-N586 PolarHBondContact O-N 2.95Å; H584-N586 PolarHBondContact O-ND2 2.9Å
587I94.3Very high96.1Very high101 Ų10143.3 Ų43.352%0.51822%0.22SC..SBendtrans-83.4-32.2176.5-66.9167.4000110.6F582 Y585F582-I587 HydrophobicContact CB-CB 4.21Å; F582-I587 HydrophobicContact CB-CG2 4.43Å; F582-I587 HydrophobicContact CD1-CD1 4.02Å; F582-I587 WeakPolarHBondContact O-CA 3.36Å; F582-I587 WeakPolarHBondContact O-CB 3.39Å; F582-I587 PolarHBondContact O-N 3.41Å; Y585-I587 HydrophobicContact CD2-CD1 4.43Å; Y585-I587 PolarHBondContact O-N 3.45Å
588C93.4Very high96Very high39 Ų3944.6 Ų44.626%0.26423%0.229SC..  trans-136.9-179.7170.5720000110.9V550 F582 E583V550-C588 HydrophobicContact CG2-CB 4.42Å; F582-C588 PolarHBondContact O-N 3.4Å; E583-C588 WeakPolarHBondContact CA-O 3.29Å
589K95.1Very high95.9Very high151 Ų15145.8 Ų45.866%0.65723%0.233SC*.  trans-133.1127.3169.8-177.4-178.9178.8-176.20108.4F551F551-K589 PolarHBondContact N-O 2.64Å
590V97.6Very high95.8Very high4 Ų445.8 Ų45.82%0.02423%0.233CC..  trans-89.7121.8177.1-174.80000108.5V550 L578 E583 L594 K595V550-V590 HydrophobicContact CB-CG2 4.49Å; V550-V590 HydrophobicContact CG2-CG2 4Å; L578-V590 HydrophobicContact CD2-CG1 4.39Å; L578-V590 HydrophobicContact CD2-CG2 4.14Å; E583-V590 HydrophobicContact CB-CG2 4.24Å; E583-V590 PolarHBondContact OE1-N 3.39Å; E583-V590 WeakPolarHBondContact OE2-CB 3.44Å; E583-V590 WeakPolarHBondContact OE2-CG2 3.43Å; V590-L594 HydrophobicContact CG1-CB 3.75Å; V590-K595 HydrophobicContact CG1-CB 4.22Å
591G97.3Very high95.9Very high3 Ų345.6 Ų45.63%0.03123%0.232CC..  trans-69159.5-178.800000113.2V550 D552 Y593 L594 K595V550-G591 PolarHBondContact O-N 2.67Å; D552-G591 WeakPolarHBondContact OD1-CA 3.32Å; D552-G591 WeakPolarHBondContact OD2-CA 3.16Å; G591-Y593 PolarHBondContact O-N 3.36Å; G591-L594 PolarHBondContact O-N 3.1Å; G591-K595 WeakPolarHBondContact O-CB 3.24Å; G591-K595 PolarHBondContact O-N 3.08Å
592A96.6Very high96Very high56 Ų5645.6 Ų45.646%0.46323%0.232SC..Hα-helixtrans-56.9-3117700000112.9D552 L594 S596D552-A592 PolarHBondContact OD1-N 3.2Å; D552-A592 PolarHBondContact OD2-N 2.92Å; A592-L594 VanDerWaalsContact C-N 3.35Å; A592-L594 PolarHBondContact O-N 3.06Å; A592-S596 WeakPolarHBondContact O-CA 3.41Å; A592-S596 WeakPolarHBondContact O-CB 3.5Å; A592-S596 PolarHBondContact O-N 2.73Å
593Y97.5Very high96.1Very high67 Ų6743.3 Ų43.326%0.26322%0.222SC..Hα-helixtrans-65.8-32.8179.1-63.7-15.3000113.4D552 N553 I570 K571 R573 C574 G591D552-Y593 HydrophobicContact CB-CD2 3.89Å; D552-Y593 HydrophobicContact CB-CE2 3.91Å; D552-Y593 HydrophobicContact CB-CG 4.34Å; D552-Y593 VanDerWaalsContact OD1-CB 3.24Å; D552-Y593 WeakPolarHBondContact OD1-CB 3.46Å; D552-Y593 WeakPolarHBondContact OD1-CD2 3.4Å; D552-Y593 PolarHBondContact OD1-N 2.93Å; N553-Y593 PolarHBondContact ND2-OH 2.85Å; I570-Y593 HydrophobicContact CB-CD2 4.27Å; I570-Y593 HydrophobicContact CG2-CD2 4.04Å; I570-Y593 HydrophobicContact CG2-CG 4.42Å; I570-Y593 VanDerWaalsContact O-CD2 3.26Å; I570-Y593 WeakPolarHBondContact O-CD2 3.48Å; I570-Y593 WeakPolarHBondContact O-CE2 3.47Å; K571-Y593 VanDerWaalsContact O-CE2 3.23Å; K571-Y593 WeakPolarHBondContact O-CE2 3.4Å; R573-Y593 HydrophobicContact CB-CD1 4.33Å; C574-Y593 WeakPolarHBondContact CB-O 3.3Å; C574-Y593 PolarHBondContact N-O 3.38Å; G591-Y593 PolarHBondContact O-N 3.36Å
594L97.4Very high96.2Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-94.6-34.8172.4-82.2173.7000112.8L542 V550 I570 C574 G577 L578 V590 G591 A592L542-L594 HydrophobicContact CD1-CD2 4.23Å; V550-L594 HydrophobicContact CB-CD1 3.82Å; V550-L594 HydrophobicContact CG1-CD1 3.91Å; I570-L594 HydrophobicContact CD1-CD1 3.71Å; I570-L594 HydrophobicContact CD1-CG 4.13Å; I570-L594 HydrophobicContact CG1-CD1 3.61Å; I570-L594 HydrophobicContact CG1-CG 3.91Å; C574-L594 HydrophobicContact CB-CD2 4.18Å; G577-L594 CarbonylContact C-O 3.54Å; G577-L594 WeakPolarHBondContact CA-O 3.36Å; L578-L594 HydrophobicContact CB-CB 4.27Å; L578-L594 HydrophobicContact CB-CD1 4.16Å; L578-L594 HydrophobicContact CB-CD2 3.94Å; L578-L594 HydrophobicContact CB-CG 4.36Å; L578-L594 PolarHBondContact N-O 3.15Å; V590-L594 HydrophobicContact CG1-CB 3.75Å; G591-L594 PolarHBondContact O-N 3.1Å; A592-L594 VanDerWaalsContact C-N 3.35Å; A592-L594 PolarHBondContact O-N 3.06Å
595K95.2Very high96.3Very high30 Ų3038.7 Ų38.713%0.1320%0.201CC..Hα-helixtrans-73.8-34.4-177-178163.1-74.4179.90112.9L579 E583 V590 G591 P597 W602 T675 R676L579-K595 HydrophobicContact CD2-CG 4.45Å; E583-K595 IonicContact OE1-NZ 3.24Å; E583-K595 PolarHBondContact OE1-NZ 3.36Å; E583-K595 WeakPolarHBondContact OE2-CE 3.29Å; E583-K595 IonicContact OE2-NZ 2.92Å; E583-K595 PolarHBondContact OE2-NZ 3.38Å; V590-K595 HydrophobicContact CG1-CB 4.22Å; G591-K595 WeakPolarHBondContact O-CB 3.24Å; G591-K595 PolarHBondContact O-N 3.08Å; K595-P597 WeakPolarHBondContact O-CD 3.35Å; K595-W602 PolarHBondContact O-NE1 2.85Å; K595-T675 WeakPolarHBondContact CE-O 3.37Å; K595-T675 PolarHBondContact NZ-O 3.25Å; K595-R676 HydrophobicContact CD-CB 4.32Å; K595-R676 HydrophobicContact CG-CB 4.11Å; K595-R676 HydrophobicContact CG-CG 4.06Å; K595-R676 WeakPolarHBondContact O-CD 3.38Å; K595-R676 PolarHBondContact O-NH1 3.48Å
596S94Very high96.3Very high47 Ų4735 Ų3533%0.32919%0.191SC..SBendtrans-116.565.8179.2-70.20000111.5R573 A592 R676R573-S596 PolarHBondContact NE-O 2.95Å; R573-S596 PolarHBondContact NH2-O 3.32Å; A592-S596 WeakPolarHBondContact O-CA 3.41Å; A592-S596 WeakPolarHBondContact O-CB 3.5Å; A592-S596 PolarHBondContact O-N 2.73Å; S596-R676 PolarHBondContact OG-NH1 3.11Å
597P96.4Very high95.9Very high0 Ų034 Ų340%018%0.182CC..  trans-64.4172.3-178.831.4-38.9000113R573 C574 G577 K595 Y599 W602 L621R573-P597 PolarHBondContact NH2-O 3.44Å; C574-P597 WeakPolarHBondContact O-CA 3.32Å; G577-P597 VanDerWaalsContact N-CB 3.33Å; K595-P597 WeakPolarHBondContact O-CD 3.35Å; P597-Y599 VanDerWaalsContact CG-O 3.26Å; P597-Y599 WeakPolarHBondContact CG-O 3.38Å; P597-W602 HydrophobicContact CG-CD2 4.41Å; P597-W602 HydrophobicContact CG-CZ2 3.98Å; P597-L621 WeakPolarHBondContact O-CD1 3.4Å
598S95.4Very high95.5Very high27 Ų2732.4 Ų32.419%0.18918%0.18CC..SBendtrans-82.9-13.5-177.6-53.20000114.7C574 Q575 R618C574-S598 PolarHBondContact O-N 2.97Å; C574-S598 PolarHBondContact O-OG 3.36Å; Q575-S598 PolarHBondContact O-N 3.29Å; S598-R618 PolarHBondContact O-NH2 3.2Å
599Y96.4Very high95.5Very high25 Ų2532.2 Ų32.210%0.09817%0.174CC..SBendtrans-131.6144.9171.1-61.7-100.8000108.1K399 F403 E404 Q575 P597 I601 R618 L621K399-Y599 HydrophobicContact CD-CD2 4.47Å; K399-Y599 HydrophobicContact CD-CE2 4.4Å; K399-Y599 VanDerWaalsContact CE-CZ 3.44Å; K399-Y599 HydrophobicContact CG-CD1 4.03Å; K399-Y599 HydrophobicContact CG-CD2 3.97Å; K399-Y599 HydrophobicContact CG-CE1 4.27Å; K399-Y599 HydrophobicContact CG-CE2 4.28Å; K399-Y599 HydrophobicContact CG-CG 3.85Å; F403-Y599 HydrophobicContact CB-CD1 3.68Å; F403-Y599 HydrophobicContact CB-CE1 3.6Å; F403-Y599 AromaticContact CD2-CD1 3.56Å; F403-Y599 HydrophobicContact CD2-CD1 3.56Å; F403-Y599 HydrophobicContact CD2-CE1 4.37Å; F403-Y599 HydrophobicContact CD2-CG 4.38Å; F403-Y599 HydrophobicContact CE2-CD1 4.37Å; F403-Y599 AromaticContact CG-CD1 3.72Å; F403-Y599 HydrophobicContact CG-CD1 3.72Å; F403-Y599 HydrophobicContact CG-CE1 4.17Å; E404-Y599 PolarHBondContact OE1-OH 3.15Å; Q575-Y599 HydrophobicContact CB-CD2 4.2Å; Q575-Y599 HydrophobicContact CB-CE2 4.4Å; Q575-Y599 WeakPolarHBondContact O-CD2 3.48Å; Q575-Y599 PolarHBondContact O-N 3.26Å; P597-Y599 VanDerWaalsContact CG-O 3.26Å; P597-Y599 WeakPolarHBondContact CG-O 3.38Å; Y599-I601 PolarHBondContact O-N 2.95Å; Y599-R618 VanDerWaalsContact CE1-CZ 3.5Å; Y599-L621 VanDerWaalsContact C-CD1 3.46Å
600P96.7Very high95.7Very high0 Ų025.8 Ų25.80%015%0.147CC..SBendtrans-76.463.6-171.833.8-39.9000111.6F403 W602 F614 G615 L620 L621F403-P600 HydrophobicContact CE2-CG 4.13Å; F403-P600 HydrophobicContact CZ-CG 3.71Å; P600-W602 HydrophobicContact CB-CH2 3.88Å; P600-W602 HydrophobicContact CB-CZ3 3.99Å; P600-W602 WeakPolarHBondContact O-CZ3 3.38Å; P600-F614 CarbonylContact O-C 3.52Å; P600-F614 VanDerWaalsContact O-CA 3.26Å; P600-F614 WeakPolarHBondContact O-CA 3.39Å; P600-G615 WeakPolarHBondContact CG-O 3.28Å; P600-G615 PolarHBondContact O-N 3.46Å; P600-L620 HydrophobicContact CB-CD2 4.24Å; P600-L621 HydrophobicContact CB-CD1 4.33Å; P600-L621 HydrophobicContact CB-CD2 4.47Å; P600-L621 HydrophobicContact CB-CG 4.18Å
601I98.5Very high95.7Very high0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-140128.8-175.9-54.9173.5000106.8A395 L398 K399 F403 V576 G577 Y599 V612 F614A395-I601 HydrophobicContact CB-CG2 3.67Å; L398-I601 HydrophobicContact CB-CD1 3.95Å; K399-I601 VanDerWaalsContact CA-CD1 3.5Å; K399-I601 HydrophobicContact CB-CD1 3.75Å; K399-I601 VanDerWaalsContact N-CD1 3.31Å; F403-I601 HydrophobicContact CD2-CD1 4.39Å; F403-I601 HydrophobicContact CE2-CD1 4.06Å; F403-I601 HydrophobicContact CE2-CG1 4.34Å; V576-I601 HydrophobicContact CB-CB 4.35Å; V576-I601 HydrophobicContact CB-CG2 4.42Å; V576-I601 HydrophobicContact CG1-CB 3.99Å; V576-I601 HydrophobicContact CG1-CD1 4.28Å; V576-I601 HydrophobicContact CG1-CG2 4.15Å; G577-I601 PolarHBondContact N-O 3.24Å; Y599-I601 PolarHBondContact O-N 2.95Å; I601-V612 HydrophobicContact CG2-CG1 3.93Å; I601-F614 HydrophobicContact CB-CB 4.29Å; I601-F614 HydrophobicContact CG1-CB 3.98Å; I601-F614 HydrophobicContact CG2-CB 4.22Å
602W98.7Very high95.7Very high0 Ų025.8 Ų25.80%015%0.146CC..EExtended strand (participates in β ladder)trans-131.1133.3-179.9-61.3-98.7000110.3G577 L579 K595 P597 P600 V612 L613 L621 L632 R676 W677G577-W602 WeakPolarHBondContact O-CA 3.34Å; L579-W602 HydrophobicContact CD1-CB 4.26Å; L579-W602 HydrophobicContact CD1-CG 4.16Å; L579-W602 HydrophobicContact CG-CB 4.03Å; L579-W602 HydrophobicContact CG-CG 3.95Å; K595-W602 PolarHBondContact O-NE1 2.85Å; P597-W602 HydrophobicContact CG-CD2 4.41Å; P597-W602 HydrophobicContact CG-CZ2 3.98Å; P600-W602 HydrophobicContact CB-CH2 3.88Å; P600-W602 HydrophobicContact CB-CZ3 3.99Å; P600-W602 WeakPolarHBondContact O-CZ3 3.38Å; W602-V612 WeakPolarHBondContact O-CA 3.45Å; W602-L613 PolarHBondContact N-O 3.27Å; W602-L613 PolarHBondContact O-N 3.41Å; W602-L621 HydrophobicContact CH2-CD2 4Å; W602-L621 HydrophobicContact CZ2-CD2 3.84Å; W602-L632 HydrophobicContact CZ3-CD2 4.36Å; W602-R676 VanDerWaalsContact CZ2-NE 3.29Å; W602-W677 AromaticContact CH2-CH2 3.65Å; W602-W677 HydrophobicContact CH2-CH2 3.65Å; W602-W677 HydrophobicContact CH2-CZ2 4.12Å; W602-W677 HydrophobicContact CZ2-CH2 4.05Å; W602-W677 HydrophobicContact CZ2-CZ2 4.49Å; W602-W677 AromaticContact CZ3-CH2 3.94Å; W602-W677 HydrophobicContact CZ3-CH2 3.94Å
603V98.7Very high95.8Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-72.3126.2159.4171.20000107.9A391 A395 L542 G577 L578 L579 F610 S611A391-V603 HydrophobicContact CB-CG1 4Å; A391-V603 HydrophobicContact CB-CG2 4.21Å; A395-V603 HydrophobicContact CB-CG2 4.01Å; L542-V603 HydrophobicContact CD2-CG2 3.88Å; G577-V603 PolarHBondContact O-N 2.93Å; L578-V603 CarbonylContact C-O 3.32Å; L578-V603 VanDerWaalsContact CA-O 3.24Å; L578-V603 WeakPolarHBondContact CA-O 3.38Å; L579-V603 PolarHBondContact N-O 3.47Å; V603-F610 HydrophobicContact CG1-CB 4.34Å; V603-F610 HydrophobicContact CG1-CD1 3.73Å; V603-F610 HydrophobicContact CG1-CG 4.5Å; V603-S611 CarbonylContact C-O 3.44Å; V603-S611 WeakPolarHBondContact CA-O 3.2Å
604V98.3Very high95.8Very high1 Ų119.9 Ų19.91%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-96.7121.1176.8-179.10000108.6F610 S611 L613 L669 C672V604-F610 VanDerWaalsContact O-CA 3.31Å; V604-F610 WeakPolarHBondContact O-CA 3.49Å; V604-S611 PolarHBondContact N-O 2.95Å; V604-S611 PolarHBondContact O-N 3.45Å; V604-S611 VanDerWaalsContact O-N 3.07Å; V604-L613 HydrophobicContact CG2-CB 3.54Å; V604-L613 HydrophobicContact CG2-CD2 4.35Å; V604-L669 HydrophobicContact CG1-CD1 4.07Å; V604-L669 HydrophobicContact CG2-CD1 4.18Å; V604-C672 HydrophobicContact CG1-CB 4.04Å
605C96.9Very high95.7Very high6 Ų620 Ų204%0.04111%0.112CC..EExtended strand (participates in β ladder)trans-97.296172.4179.70000108.9L579 S580 L581 F610L579-C605 PolarHBondContact O-N 3.01Å; S580-C605 WeakPolarHBondContact CA-O 3.38Å; S580-C605 PolarHBondContact OG-O 3.07Å; L581-C605 PolarHBondContact N-O 2.8Å; C605-F610 HydrophobicContact CB-CD1 3.9Å; C605-F610 HydrophobicContact CB-CE1 3.57Å; C605-F610 HydrophobicContact CB-CZ 4.41Å; C605-F610 VanDerWaalsContact SG-CE1 3.6Å
606S92.9Very high95.6Very high30 Ų3019.5 Ų19.521%0.2111%0.111CC..EExtended strand (participates in β ladder)trans-109112.9177.6-161.80000109.3S608 H609S606-S608 PolarHBondContact O-N 3.03Å; S606-H609 PolarHBondContact N-O 3.41Å; S606-H609 VanDerWaalsContact N-O 3.08Å; S606-H609 PolarHBondContact O-N 3.37Å
607E86.6Confident95.4Very high128 Ų12823.7 Ų23.760%0.59812%0.123SC*.THydrogen-bonded Turntrans46.6-100-173.1-58.6-160.7138.700114.9L581 F582L581-E607 HydrophobicContact CD2-CG 3.72Å; F582-E607 WeakPolarHBondContact CE2-O 3.29Å; F582-E607 WeakPolarHBondContact CZ-O 3.36Å
608S86Confident95Very high67 Ų6728.7 Ų28.747%0.46914%0.142SC..THydrogen-bonded Turntrans-1074.3-177.263.30000113.6S606S606-S608 PolarHBondContact O-N 3.03Å
609H94.3Very high94.5Very high34 Ų3432.3 Ų32.316%0.15716%0.156CC..EExtended strand (participates in β ladder)trans-122.9157.2-172.9-16936.9000112.6C387 S606 D636C387-H609 VanDerWaalsContact CB-ND1 3.28Å; C387-H609 WeakPolarHBondContact CB-ND1 3.38Å; S606-H609 PolarHBondContact N-O 3.41Å; S606-H609 VanDerWaalsContact N-O 3.08Å; S606-H609 PolarHBondContact O-N 3.37Å; H609-D636 IonicContact CD2-OD1 3.32Å; H609-D636 IonicContact CD2-OD2 3.95Å; H609-D636 PolarHBondContact CD2-OD2 3.38Å; H609-D636 IonicContact CE1-OD1 3.4Å; H609-D636 IonicContact NE2-OD1 2.62Å; H609-D636 PolarHBondContact NE2-OD1 3.07Å; H609-D636 IonicContact NE2-OD2 3.94Å; H609-D636 PolarHBondContact NE2-OD2 3.19Å
610F97.4Very high93.9Very high17 Ų1732 Ų328%0.07516%0.156CC..EExtended strand (participates in β ladder)trans-129.6122.5179.1-69.3-85.6000110C387 A391 C533 V538 V603 V604 C605C387-F610 HydrophobicContact CB-CB 4.15Å; A391-F610 HydrophobicContact CB-CB 3.93Å; C533-F610 HydrophobicContact CB-CE2 4.45Å; V538-F610 HydrophobicContact CG1-CE1 4.39Å; V538-F610 HydrophobicContact CG2-CD1 4.44Å; V538-F610 HydrophobicContact CG2-CE1 3.99Å; V538-F610 HydrophobicContact CG2-CE2 4.2Å; V538-F610 HydrophobicContact CG2-CZ 3.86Å; V603-F610 HydrophobicContact CG1-CB 4.34Å; V603-F610 HydrophobicContact CG1-CD1 3.73Å; V603-F610 HydrophobicContact CG1-CG 4.5Å; V604-F610 VanDerWaalsContact O-CA 3.31Å; V604-F610 WeakPolarHBondContact O-CA 3.49Å; C605-F610 HydrophobicContact CB-CD1 3.9Å; C605-F610 HydrophobicContact CB-CE1 3.57Å; C605-F610 HydrophobicContact CB-CZ 4.41Å; C605-F610 VanDerWaalsContact SG-CE1 3.6Å
611S97.8Very high93.4Very high5 Ų533.6 Ų33.64%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-131.2-174.6178.954.50000110.2V603 V604 Y634V603-S611 CarbonylContact C-O 3.44Å; V603-S611 WeakPolarHBondContact CA-O 3.2Å; V604-S611 PolarHBondContact N-O 2.95Å; V604-S611 PolarHBondContact O-N 3.45Å; V604-S611 VanDerWaalsContact O-N 3.07Å; S611-Y634 WeakPolarHBondContact CB-OH 3.44Å; S611-Y634 WeakPolarHBondContact OG-CE2 3.49Å; S611-Y634 PolarHBondContact OG-OH 2.94Å
612V98.4Very high92.3Very high1 Ų138.4 Ų38.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-128.5136.1-178.1-175.20000111.9A391 Q394 A395 L398 I601 W602 F614 Y635A391-V612 HydrophobicContact CB-CG2 3.96Å; A391-V612 WeakPolarHBondContact O-CG2 3.21Å; Q394-V612 HydrophobicContact CB-CG2 3.84Å; Q394-V612 HydrophobicContact CG-CB 4.22Å; Q394-V612 HydrophobicContact CG-CG2 3.75Å; A395-V612 HydrophobicContact CB-CG1 4.41Å; L398-V612 HydrophobicContact CD1-CG1 3.93Å; I601-V612 HydrophobicContact CG2-CG1 3.93Å; W602-V612 WeakPolarHBondContact O-CA 3.45Å; V612-F614 HydrophobicContact CG1-CD1 4.32Å; V612-Y635 PolarHBondContact N-O 2.7Å; V612-Y635 PolarHBondContact O-N 2.9Å
613L98.4Very high90.9Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-122.1130.5174.1-178.472.9000108.7L579 W602 V604 L632 Y633 Y634 L647 I673L579-L613 HydrophobicContact CD1-CD2 4.16Å; W602-L613 PolarHBondContact N-O 3.27Å; W602-L613 PolarHBondContact O-N 3.41Å; V604-L613 HydrophobicContact CG2-CB 3.54Å; V604-L613 HydrophobicContact CG2-CD2 4.35Å; L613-L632 HydrophobicContact CD1-CB 3.9Å; L613-L632 HydrophobicContact CD1-CD1 4.15Å; L613-L632 HydrophobicContact CD2-CD1 3.83Å; L613-L632 HydrophobicContact CG-CB 4.39Å; L613-L632 HydrophobicContact CG-CD1 4.01Å; L613-Y633 CarbonylContact C-O 3.57Å; L613-Y633 WeakPolarHBondContact CA-O 3.41Å; L613-Y634 HydrophobicContact CD1-CD2 4.42Å; L613-L647 HydrophobicContact CD1-CD1 4.14Å; L613-I673 HydrophobicContact CD2-CD1 4.1Å; L613-I673 HydrophobicContact CD2-CG1 3.63Å
614F98Very high89Confident0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-147.8151.1-174.162.8-79.9000113.9Y377 L398 L402 L416 P600 I601 V612 L616 L632 Y633Y377-F614 HydrophobicContact CD2-CZ 4.36Å; Y377-F614 AromaticContact CE2-CE1 3.91Å; Y377-F614 HydrophobicContact CE2-CE1 3.91Å; Y377-F614 AromaticContact CE2-CZ 3.7Å; Y377-F614 HydrophobicContact CE2-CZ 3.7Å; Y377-F614 AromaticContact CZ-CZ 3.89Å; L398-F614 HydrophobicContact CD1-CD1 3.58Å; L398-F614 HydrophobicContact CD1-CD2 4.38Å; L398-F614 HydrophobicContact CD1-CE1 3.75Å; L398-F614 HydrophobicContact CD1-CG 3.93Å; L398-F614 HydrophobicContact CD1-CZ 4.23Å; L398-F614 HydrophobicContact CD2-CD2 4.36Å; L398-F614 HydrophobicContact CD2-CE1 4.38Å; L398-F614 HydrophobicContact CD2-CE2 4Å; L398-F614 HydrophobicContact CD2-CZ 4.01Å; L402-F614 HydrophobicContact CD1-CD2 3.82Å; L402-F614 HydrophobicContact CD1-CE2 4.12Å; L416-F614 HydrophobicContact CD2-CE2 3.9Å; L416-F614 HydrophobicContact CD2-CZ 4.22Å; P600-F614 CarbonylContact O-C 3.52Å; P600-F614 VanDerWaalsContact O-CA 3.26Å; P600-F614 WeakPolarHBondContact O-CA 3.39Å; I601-F614 HydrophobicContact CB-CB 4.29Å; I601-F614 HydrophobicContact CG1-CB 3.98Å; I601-F614 HydrophobicContact CG2-CB 4.22Å; V612-F614 HydrophobicContact CG1-CD1 4.32Å; F614-L616 HydrophobicContact CD2-CD2 4.12Å; F614-L616 HydrophobicContact CE2-CD2 3.88Å; F614-L632 CarbonylContact O-C 3.52Å; F614-L632 WeakPolarHBondContact O-CA 3.11Å; F614-Y633 WeakPolarHBondContact CD1-O 3.43Å; F614-Y633 HydrophobicContact CE2-CG 4.17Å; F614-Y633 VanDerWaalsContact CZ-CB 3.42Å; F614-Y633 HydrophobicContact CZ-CG 4.27Å; F614-Y633 PolarHBondContact N-O 3.15Å; F614-Y633 PolarHBondContact O-N 2.96Å
615G95.6Very high87.4Confident1 Ų157.1 Ų57.11%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-106.9154.5170.100000111.2P600P600-G615 WeakPolarHBondContact CG-O 3.28Å; P600-G615 PolarHBondContact O-N 3.46Å
616L92.4Very high85.8Confident20 Ų2063.3 Ų63.311%0.10532%0.316CS..SBendtrans-89.4-7.8-176.9-60.5-176.6000114.4L402 I412 L413 L416 F614 Y633L402-L616 HydrophobicContact CD1-CD2 3.93Å; L402-L616 HydrophobicContact CD2-CD2 3.99Å; I412-L616 HydrophobicContact CG2-CB 3.86Å; I412-L616 HydrophobicContact CG2-CD1 4.44Å; I412-L616 HydrophobicContact CG2-CG 4.5Å; L413-L616 HydrophobicContact CD2-CD1 3.65Å; L416-L616 HydrophobicContact CD1-CD1 4.15Å; L416-L616 HydrophobicContact CD1-CD2 4.02Å; L416-L616 HydrophobicContact CD2-CD2 4.23Å; L416-L616 HydrophobicContact CG-CD2 4.44Å; F614-L616 HydrophobicContact CD2-CD2 4.12Å; F614-L616 HydrophobicContact CE2-CD2 3.88Å; L616-Y633 HydrophobicContact CD1-CD2 4.13Å; L616-Y633 HydrophobicContact CD1-CE1 4.48Å; L616-Y633 HydrophobicContact CD1-CE2 3.44Å; L616-Y633 VanDerWaalsContact CD1-CE2 3.44Å; L616-Y633 HydrophobicContact CD2-CD2 4.31Å; L616-Y633 HydrophobicContact CD2-CE2 4.44Å; L616-Y633 HydrophobicContact CG-CD2 3.84Å; L616-Y633 HydrophobicContact CG-CE2 3.58Å
617K88.7Confident84.9Confident135 Ų13564.6 Ų64.659%0.58732%0.321SS*.  trans-124.4124.4-171.4-74179-177.8173.10110.1E619 L620K617-E619 VanDerWaalsContact C-OE2 3.27Å; K617-E619 WeakPolarHBondContact CA-OE2 3.49Å; K617-E619 VanDerWaalsContact CB-OE2 3.25Å; K617-E619 WeakPolarHBondContact CB-OE2 3.47Å; K617-E619 PolarHBondContact O-N 2.94Å; K617-L620 WeakPolarHBondContact O-CB 3.48Å; K617-L620 PolarHBondContact O-N 2.96Å
618R88.2Confident84.8Confident105 Ų10560 Ų6040%0.39630%0.3SS..G310 helixtrans-67.5-24.7-179.4-64.9-166.272.7177.45.4112.1F403 S598 Y599 L620 L621F403-R618 HydrophobicContact CD1-CG 3.58Å; F403-R618 HydrophobicContact CE1-CG 3.57Å; F403-R618 HydrophobicContact CG-CG 4.33Å; F403-R618 HydrophobicContact CZ-CG 4.3Å; S598-R618 PolarHBondContact O-NH2 3.2Å; Y599-R618 VanDerWaalsContact CE1-CZ 3.5Å; R618-L620 PolarHBondContact O-N 3Å; R618-L621 WeakPolarHBondContact O-CB 2.79Å; R618-L621 PolarHBondContact O-N 3.4Å
619E84.6Confident85Confident104 Ų10462.5 Ų62.549%0.48630%0.304SS..G310 helixtrans-60-25.6-178.3-59.565.9-139.300111.8K617 L621 T622 N623K617-E619 VanDerWaalsContact C-OE2 3.27Å; K617-E619 WeakPolarHBondContact CA-OE2 3.49Å; K617-E619 VanDerWaalsContact CB-OE2 3.25Å; K617-E619 WeakPolarHBondContact CB-OE2 3.47Å; K617-E619 PolarHBondContact O-N 2.94Å; E619-L621 PolarHBondContact O-N 3.11Å; E619-L621 VanDerWaalsContact O-N 3.08Å; E619-T622 WeakPolarHBondContact CA-OG1 3.32Å; E619-T622 PolarHBondContact O-N 3.39Å; E619-T622 PolarHBondContact O-OG1 3.19Å; E619-N623 VanDerWaalsContact O-CG 3.28Å; E619-N623 PolarHBondContact O-N 2.92Å; E619-N623 PolarHBondContact O-OD1 3.17Å
620L85.1Confident84.9Confident18 Ų1862.1 Ų62.19%0.09430%0.302CS..G310 helixtrans-56.1-21.8171.5179.356.8000113.9P600 K617 R618 F630 L632 W677P600-L620 HydrophobicContact CB-CD2 4.24Å; K617-L620 WeakPolarHBondContact O-CB 3.48Å; K617-L620 PolarHBondContact O-N 2.96Å; R618-L620 PolarHBondContact O-N 3Å; L620-F630 HydrophobicContact CD1-CB 4.07Å; L620-F630 HydrophobicContact CD1-CD1 3.55Å; L620-F630 HydrophobicContact CD1-CD2 3.46Å; L620-F630 VanDerWaalsContact CD1-CD2 3.46Å; L620-F630 HydrophobicContact CD1-CE1 3.8Å; L620-F630 HydrophobicContact CD1-CE2 3.7Å; L620-F630 HydrophobicContact CD1-CG 3.39Å; L620-F630 HydrophobicContact CD1-CZ 3.88Å; L620-F630 HydrophobicContact CD2-CD2 3.75Å; L620-F630 HydrophobicContact CD2-CE2 4.07Å; L620-F630 HydrophobicContact CD2-CG 4.39Å; L620-F630 HydrophobicContact CG-CD2 4.27Å; L620-L632 HydrophobicContact CD2-CD2 3.71Å; L620-W677 HydrophobicContact CD1-CZ2 4.15Å; L620-W677 HydrophobicContact CD2-CZ2 4.27Å; L620-W677 HydrophobicContact CG-CZ2 4.26Å
621L84.9Confident84.8Confident34 Ų3463.9 Ų63.918%0.17831%0.312CS..G310 helixtrans-94.2-9.4177.6-61.8174.1000113.8P597 Y599 P600 W602 R618 E619P597-L621 WeakPolarHBondContact O-CD1 3.4Å; Y599-L621 VanDerWaalsContact C-CD1 3.46Å; P600-L621 HydrophobicContact CB-CD1 4.33Å; P600-L621 HydrophobicContact CB-CD2 4.47Å; P600-L621 HydrophobicContact CB-CG 4.18Å; W602-L621 HydrophobicContact CH2-CD2 4Å; W602-L621 HydrophobicContact CZ2-CD2 3.84Å; R618-L621 WeakPolarHBondContact O-CB 2.79Å; R618-L621 PolarHBondContact O-N 3.4Å; E619-L621 PolarHBondContact O-N 3.11Å; E619-L621 VanDerWaalsContact O-N 3.08Å
622T77.2Confident84.7Confident101 Ų10163.7 Ų63.762%0.6231%0.311SS*.THydrogen-bonded Turntrans-116.6-22.3-174.551.60000113.7E619 Q624E619-T622 WeakPolarHBondContact CA-OG1 3.32Å; E619-T622 PolarHBondContact O-N 3.39Å; E619-T622 PolarHBondContact O-OG1 3.19Å; T622-Q624 PolarHBondContact O-N 3.5Å
623N68.6Low84.7Confident87 Ų8764.2 Ų64.247%0.46531%0.313SS..  trans-65.7124.6176.7-67.9-1.3000110.4E619 L628E619-N623 VanDerWaalsContact O-CG 3.28Å; E619-N623 PolarHBondContact O-N 2.92Å; E619-N623 PolarHBondContact O-OD1 3.17Å; N623-L628 HydrophobicContact CB-CD1 4.1Å; N623-L628 HydrophobicContact CB-CD2 3.93Å
624Q59.6Low84.6Confident192 Ų19264.8 Ų64.890%0.89732%0.315SS*.  trans-102.410.9176.7-61.1-175.1-2.200112.6T622T622-Q624 PolarHBondContact O-N 3.5Å
625D63.8Low84.6Confident114 Ų11465.2 Ų65.261%0.6132%0.317SS*.  trans-69.1139.8-178.6-144.2-32.6000110.5L628D625-L628 HydrophobicContact CB-CD2 4.21Å; D625-L628 HydrophobicContact CB-CG 4.12Å; D625-L628 VanDerWaalsContact O-CD1 3.3Å; D625-L628 WeakPolarHBondContact O-CD1 3.41Å; D625-L628 WeakPolarHBondContact O-CG 3.39Å
626E63.4Low84.6Confident137 Ų13765.9 Ų65.964%0.6432%0.32SS*.SBendtrans-76.1-31.8-176.7-66.7-171.9154.600111.9L628 G652 K653E626-L628 PolarHBondContact O-N 2.69Å; E626-G652 WeakPolarHBondContact O-CA 3.28Å; E626-K653 IonicContact OE2-NZ 3.22Å; E626-K653 PolarHBondContact OE2-NZ 3.01Å
627D74.5Confident84.7Confident57 Ų5765.5 Ų65.531%0.30532%0.321SS..SBendtrans-105.561.2-172.5-60-32.1000110.6K653 L654D627-K653 VanDerWaalsContact OD1-CB 3.23Å; D627-K653 WeakPolarHBondContact OD1-CB 3.44Å; D627-K653 WeakPolarHBondContact OD1-CG 3.37Å; D627-K653 PolarHBondContact OD1-N 3.45Å; D627-K653 IonicContact OD1-NZ 2.81Å; D627-K653 PolarHBondContact OD1-NZ 3.32Å; D627-K653 VanDerWaalsContact OD2-CD 3.32Å; D627-K653 WeakPolarHBondContact OD2-CD 3.21Å; D627-K653 WeakPolarHBondContact OD2-CE 3.29Å; D627-K653 IonicContact OD2-NZ 2.69Å; D627-K653 PolarHBondContact OD2-NZ 3Å; D627-L654 HydrophobicContact CB-CD1 4.48Å; D627-L654 HydrophobicContact CB-CG 4.3Å; D627-L654 WeakPolarHBondContact O-CD1 3.13Å
628L83.6Confident85Confident32 Ų3261.8 Ų61.817%0.16831%0.307CS..  trans-86.4142.8-178.5-79.1167000113.3N623 D625 E626 F630 S650 V651N623-L628 HydrophobicContact CB-CD1 4.1Å; N623-L628 HydrophobicContact CB-CD2 3.93Å; D625-L628 HydrophobicContact CB-CD2 4.21Å; D625-L628 HydrophobicContact CB-CG 4.12Å; D625-L628 VanDerWaalsContact O-CD1 3.3Å; D625-L628 WeakPolarHBondContact O-CD1 3.41Å; D625-L628 WeakPolarHBondContact O-CG 3.39Å; E626-L628 PolarHBondContact O-N 2.69Å; L628-F630 HydrophobicContact CB-CD1 4.22Å; L628-F630 HydrophobicContact CB-CE1 4.32Å; L628-S650 CarbonylContact O-C 3.57Å; L628-S650 WeakPolarHBondContact O-CA 3.38Å; L628-V651 HydrophobicContact CB-CB 4.43Å; L628-V651 PolarHBondContact O-N 2.73Å
629E90.4Very high85.1Confident118 Ų11859.8 Ų59.855%0.55131%0.313SS*.EExtended strand (participates in β ladder)trans-133.2133.6165.5-176.3163.596.900110T648 V649 S650 L654E629-T648 HydrophobicContact CG-CG2 3.78Å; E629-V649 WeakPolarHBondContact CA-O 3.42Å; E629-S650 WeakPolarHBondContact OE2-CB 3.3Å; E629-S650 PolarHBondContact OE2-OG 3.46Å; E629-L654 HydrophobicContact CB-CD1 3.93Å
630F92.6Very high85.2Confident26 Ų2659 Ų5911%0.11432%0.32CS..EExtended strand (participates in β ladder)trans-158.8152.1-174.954.5-88.5000112.8L620 L628 L632 V649 V651 W677L620-F630 HydrophobicContact CD1-CB 4.07Å; L620-F630 HydrophobicContact CD1-CD1 3.55Å; L620-F630 HydrophobicContact CD1-CD2 3.46Å; L620-F630 VanDerWaalsContact CD1-CD2 3.46Å; L620-F630 HydrophobicContact CD1-CE1 3.8Å; L620-F630 HydrophobicContact CD1-CE2 3.7Å; L620-F630 HydrophobicContact CD1-CG 3.39Å; L620-F630 HydrophobicContact CD1-CZ 3.88Å; L620-F630 HydrophobicContact CD2-CD2 3.75Å; L620-F630 HydrophobicContact CD2-CE2 4.07Å; L620-F630 HydrophobicContact CD2-CG 4.39Å; L620-F630 HydrophobicContact CG-CD2 4.27Å; L628-F630 HydrophobicContact CB-CD1 4.22Å; L628-F630 HydrophobicContact CB-CE1 4.32Å; F630-L632 HydrophobicContact CD2-CD2 4.04Å; F630-L632 HydrophobicContact CD2-CG 4.01Å; F630-L632 HydrophobicContact CE2-CD1 4.07Å; F630-L632 HydrophobicContact CE2-CD2 4.01Å; F630-L632 HydrophobicContact CE2-CG 3.83Å; F630-V649 HydrophobicContact CD2-CB 4.21Å; F630-V649 HydrophobicContact CE1-CB 4.38Å; F630-V649 HydrophobicContact CE1-CG1 4.33Å; F630-V649 HydrophobicContact CE2-CB 3.68Å; F630-V649 HydrophobicContact CE2-CG1 4.05Å; F630-V649 HydrophobicContact CE2-CG2 4.18Å; F630-V649 HydrophobicContact CZ-CB 3.76Å; F630-V649 HydrophobicContact CZ-CG1 3.67Å; F630-V649 PolarHBondContact N-O 3.27Å; F630-V649 PolarHBondContact O-N 2.73Å; F630-V651 HydrophobicContact CE1-CG2 3.87Å; F630-V651 HydrophobicContact CZ-CG2 4.37Å; F630-W677 AromaticContact CE1-NE1 3.86Å; F630-W677 HydrophobicContact CE2-CD2 4.43Å; F630-W677 AromaticContact CE2-CE2 3.94Å; F630-W677 HydrophobicContact CE2-CH2 4.11Å; F630-W677 AromaticContact CE2-CZ2 3.77Å; F630-W677 HydrophobicContact CE2-CZ2 3.77Å; F630-W677 AromaticContact CZ-CD1 3.85Å; F630-W677 AromaticContact CZ-CD2 3.79Å; F630-W677 HydrophobicContact CZ-CD2 3.79Å; F630-W677 AromaticContact CZ-CE2 3.38Å; F630-W677 HydrophobicContact CZ-CE3 4.45Å; F630-W677 HydrophobicContact CZ-CG 4.05Å; F630-W677 HydrophobicContact CZ-CH2 4.36Å; F630-W677 AromaticContact CZ-CZ2 3.71Å; F630-W677 HydrophobicContact CZ-CZ2 3.71Å; F630-W677 AromaticContact CZ-NE1 3.44Å
631D94.6Very high85.6Confident55 Ų5559.1 Ų59.129%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-86.4131.8173.6-68.6-26.6000111.7Y633 R646 L647 T648D631-Y633 HydrophobicContact CB-CE2 3.96Å; D631-R646 HydrophobicContact CB-CG 4.06Å; D631-R646 IonicContact OD1-NE 2.66Å; D631-R646 WeakPolarHBondContact OD2-CD 3.12Å; D631-R646 IonicContact OD2-CZ 2.7Å; D631-R646 IonicContact OD2-NE 2.67Å; D631-R646 IonicContact OD2-NH1 3.78Å; D631-R646 PolarHBondContact OD2-NH1 3.18Å; D631-L647 WeakPolarHBondContact CA-O 3.37Å; D631-T648 WeakPolarHBondContact OD1-CB 3.47Å; D631-T648 PolarHBondContact OD1-OG1 2.78Å
632L96.6Very high85.8Confident0 Ų064.4 Ų64.40%034%0.343CS..EExtended strand (participates in β ladder)trans-110.6159.1160.6-61.7-177.6000109.8W602 L613 F614 L620 F630 R646 L647 V649 W677W602-L632 HydrophobicContact CZ3-CD2 4.36Å; L613-L632 HydrophobicContact CD1-CB 3.9Å; L613-L632 HydrophobicContact CD1-CD1 4.15Å; L613-L632 HydrophobicContact CD2-CD1 3.83Å; L613-L632 HydrophobicContact CG-CB 4.39Å; L613-L632 HydrophobicContact CG-CD1 4.01Å; F614-L632 CarbonylContact O-C 3.52Å; F614-L632 WeakPolarHBondContact O-CA 3.11Å; L620-L632 HydrophobicContact CD2-CD2 3.71Å; F630-L632 HydrophobicContact CD2-CD2 4.04Å; F630-L632 HydrophobicContact CD2-CG 4.01Å; F630-L632 HydrophobicContact CE2-CD1 4.07Å; F630-L632 HydrophobicContact CE2-CD2 4.01Å; F630-L632 HydrophobicContact CE2-CG 3.83Å; L632-R646 CarbonylContact O-C 3.51Å; L632-R646 WeakPolarHBondContact O-CA 3.34Å; L632-L647 PolarHBondContact N-O 2.9Å; L632-L647 PolarHBondContact O-N 3.27Å; L632-V649 HydrophobicContact CD1-CG2 3.93Å; L632-V649 HydrophobicContact CG-CG2 4.15Å; L632-W677 HydrophobicContact CD1-CH2 3.97Å; L632-W677 HydrophobicContact CD1-CZ3 3.84Å; L632-W677 HydrophobicContact CD2-CH2 4.35Å
633Y96.9Very high86.5Confident12 Ų1264.8 Ų64.85%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-126.6131.8-178.3-69.3-99.4000108.4L413 L416 L613 F614 L616 D631 E644 I645 R646L413-Y633 WeakPolarHBondContact CD2-OH 3.49Å; L416-Y633 HydrophobicContact CD1-CE1 4.46Å; L613-Y633 CarbonylContact C-O 3.57Å; L613-Y633 WeakPolarHBondContact CA-O 3.41Å; F614-Y633 WeakPolarHBondContact CD1-O 3.43Å; F614-Y633 HydrophobicContact CE2-CG 4.17Å; F614-Y633 VanDerWaalsContact CZ-CB 3.42Å; F614-Y633 HydrophobicContact CZ-CG 4.27Å; F614-Y633 PolarHBondContact N-O 3.15Å; F614-Y633 PolarHBondContact O-N 2.96Å; L616-Y633 HydrophobicContact CD1-CD2 4.13Å; L616-Y633 HydrophobicContact CD1-CE1 4.48Å; L616-Y633 HydrophobicContact CD1-CE2 3.44Å; L616-Y633 VanDerWaalsContact CD1-CE2 3.44Å; L616-Y633 HydrophobicContact CD2-CD2 4.31Å; L616-Y633 HydrophobicContact CD2-CE2 4.44Å; L616-Y633 HydrophobicContact CG-CD2 3.84Å; L616-Y633 HydrophobicContact CG-CE2 3.58Å; D631-Y633 HydrophobicContact CB-CE2 3.96Å; Y633-E644 HydrophobicContact CD1-CG 3.68Å; Y633-E644 HydrophobicContact CE1-CG 3.95Å; Y633-E644 VanDerWaalsContact CE1-OE1 3.31Å; Y633-E644 WeakPolarHBondContact CE1-OE1 3.49Å; Y633-I645 WeakPolarHBondContact CA-O 3.49Å; Y633-R646 HydrophobicContact CD1-CB 4.27Å; Y633-R646 HydrophobicContact CD1-CG 4.37Å; Y633-R646 HydrophobicContact CE1-CB 3.98Å; Y633-R646 HydrophobicContact CE1-CG 3.85Å; Y633-R646 HydrophobicContact CE2-CG 4.19Å
634Y97.7Very high87.7Confident12 Ų1263.4 Ų63.45%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-107.4138.1179.4-177.4-103.5000110.9S611 L613 D636 Q641 I645 L669 I690S611-Y634 WeakPolarHBondContact CB-OH 3.44Å; S611-Y634 WeakPolarHBondContact OG-CE2 3.49Å; S611-Y634 PolarHBondContact OG-OH 2.94Å; L613-Y634 HydrophobicContact CD1-CD2 4.42Å; Y634-D636 HydrophobicContact CE1-CB 3.74Å; Y634-D636 PolarHBondContact OH-OD2 2.94Å; Y634-Q641 PolarHBondContact O-NE2 2.78Å; Y634-Q641 VanDerWaalsContact O-NE2 3.15Å; Y634-I645 HydrophobicContact CD1-CD1 4.35Å; Y634-I645 PolarHBondContact N-O 2.96Å; Y634-L669 HydrophobicContact CD1-CD2 4.17Å; Y634-L669 HydrophobicContact CD2-CD1 3.78Å; Y634-L669 HydrophobicContact CD2-CD2 3.38Å; Y634-L669 HydrophobicContact CD2-CG 4.25Å; Y634-L669 HydrophobicContact CE1-CD2 4.46Å; Y634-L669 HydrophobicContact CE2-CD1 3.72Å; Y634-L669 HydrophobicContact CE2-CD2 3.71Å; Y634-L669 HydrophobicContact CE2-CG 4.36Å; Y634-L669 HydrophobicContact CG-CD2 3.61Å; Y634-I690 HydrophobicContact CD1-CD1 3.79Å; Y634-I690 HydrophobicContact CE1-CD1 3.5Å; Y634-I690 VanDerWaalsContact CE1-CD1 3.5Å
635Y97.7Very high89.3Confident10 Ų1055 Ų554%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-138127172.8-175.7-101.1000112.6L375 Y377 G378 I379 Q394 V612L375-Y635 HydrophobicContact CB-CE2 4.38Å; L375-Y635 HydrophobicContact CD2-CD2 4.27Å; L375-Y635 HydrophobicContact CD2-CE2 4.48Å; Y377-Y635 HydrophobicContact CE2-CD2 4.01Å; Y377-Y635 AromaticContact CE2-CG 3.95Å; Y377-Y635 HydrophobicContact CE2-CG 3.95Å; G378-Y635 VanDerWaalsContact CA-CE1 3.45Å; I379-Y635 PolarHBondContact O-OH 2.82Å; Q394-Y635 HydrophobicContact CG-CD1 4.12Å; V612-Y635 PolarHBondContact N-O 2.7Å; V612-Y635 PolarHBondContact O-N 2.9Å
636D96.4Very high90.9Very high15 Ų1554 Ų548%0.0828%0.277CS..  trans-124.2110.1173.1-169.7-28.1000110.9H609 Y634 L638 A639 Q641H609-D636 IonicContact CD2-OD1 3.32Å; H609-D636 IonicContact CD2-OD2 3.95Å; H609-D636 PolarHBondContact CD2-OD2 3.38Å; H609-D636 IonicContact CE1-OD1 3.4Å; H609-D636 IonicContact NE2-OD1 2.62Å; H609-D636 PolarHBondContact NE2-OD1 3.07Å; H609-D636 IonicContact NE2-OD2 3.94Å; H609-D636 PolarHBondContact NE2-OD2 3.19Å; Y634-D636 HydrophobicContact CE1-CB 3.74Å; Y634-D636 PolarHBondContact OH-OD2 2.94Å; D636-L638 PolarHBondContact O-N 3.26Å; D636-L638 WeakPolarHBondContact OD1-CA 3.14Å; D636-L638 WeakPolarHBondContact OD1-CB 3.42Å; D636-L638 PolarHBondContact OD1-N 3.44Å; D636-A639 HydrophobicContact CB-CB 3.73Å; D636-A639 PolarHBondContact O-N 3.06Å; D636-A639 PolarHBondContact OD1-N 3.19Å; D636-Q641 VanDerWaalsContact N-OE1 3.08Å
637G93.9Very high92.4Very high12 Ų1247.5 Ų47.512%0.12425%0.247CC..THydrogen-bonded Turntrans-67.7-17.7179.600000114.5I379 Q381I379-G637 WeakPolarHBondContact O-CA 3.31Å; Q381-G637 PolarHBondContact N-O 2.82Å
638L94Very high93.4Very high56 Ų5645.6 Ų45.629%0.29324%0.237SC..THydrogen-bonded Turntrans-93.8-30.7179.4-177.561.8000112.2Q381 D636 S640Q381-L638 HydrophobicContact CB-CB 4.08Å; Q381-L638 HydrophobicContact CB-CD1 4.5Å; Q381-L638 HydrophobicContact CG-CB 4.23Å; Q381-L638 HydrophobicContact CG-CD1 4.08Å; D636-L638 PolarHBondContact O-N 3.26Å; D636-L638 WeakPolarHBondContact OD1-CA 3.14Å; D636-L638 WeakPolarHBondContact OD1-CB 3.42Å; D636-L638 PolarHBondContact OD1-N 3.44Å; L638-S640 PolarHBondContact O-N 2.81Å
639A90.7Very high93.9Very high63 Ų6344 Ų4452%0.52123%0.229SC..THydrogen-bonded Turntrans-63.6-9.9-178.300000114.3D636 Q641D636-A639 HydrophobicContact CB-CB 3.73Å; D636-A639 PolarHBondContact O-N 3.06Å; D636-A639 PolarHBondContact OD1-N 3.19Å; A639-Q641 PolarHBondContact O-N 3.28Å
640S87.5Confident94Very high89 Ų8938.8 Ų38.862%0.62221%0.206SC*.THydrogen-bonded Turntrans55.239-173.1-54.50000112L638 Q642L638-S640 PolarHBondContact O-N 2.81Å; S640-Q642 PolarHBondContact O-NE2 3.41Å
641Q92.3Very high93.9Very high20 Ų2038.6 Ų38.69%0.09321%0.207CC..  trans-49.3133.3-179.1-172.5178.7-24.500111.6L375 Y634 D636 A639 E643 I645L375-Q641 HydrophobicContact CD1-CB 4Å; L375-Q641 HydrophobicContact CD1-CG 3.8Å; L375-Q641 WeakPolarHBondContact CD1-O 3.39Å; Y634-Q641 PolarHBondContact O-NE2 2.78Å; Y634-Q641 VanDerWaalsContact O-NE2 3.15Å; D636-Q641 VanDerWaalsContact N-OE1 3.08Å; A639-Q641 PolarHBondContact O-N 3.28Å; Q641-E643 VanDerWaalsContact CG-O 3.25Å; Q641-E643 WeakPolarHBondContact CG-O 3.37Å; Q641-E643 PolarHBondContact NE2-O 3.39Å; Q641-I645 HydrophobicContact CG-CD1 4.16Å; Q641-I645 HydrophobicContact CG-CG1 4.36Å
642Q90.1Very high93.4Very high145 Ų14537.4 Ų37.468%0.67821%0.207SC*.  trans-102.9-23.5-175.5-62.4-60.8-65.200113.4T372 S640T372-Q642 WeakPolarHBondContact CG2-O 3.42Å; S640-Q642 PolarHBondContact O-NE2 3.41Å
643E91.6Very high92.5Very high109 Ų10942.3 Ų42.351%0.50923%0.229SC..SBendtrans-136164.8-175.964.2-176.6-171.900112.1Q641 I645Q641-E643 VanDerWaalsContact CG-O 3.25Å; Q641-E643 WeakPolarHBondContact CG-O 3.37Å; Q641-E643 PolarHBondContact NE2-O 3.39Å; E643-I645 PolarHBondContact O-N 3.28Å
644E92.9Very high91.4Very high58 Ų5844.1 Ų44.127%0.27124%0.239SC..  trans-78.2112.7178.9-178.5164.783.500111.3L375 L416 Y633 R646L375-E644 HydrophobicContact CD2-CB 4.4Å; L416-E644 VanDerWaalsContact CD1-OE2 3.24Å; L416-E644 WeakPolarHBondContact CD1-OE2 3.49Å; Y633-E644 HydrophobicContact CD1-CG 3.68Å; Y633-E644 HydrophobicContact CE1-CG 3.95Å; Y633-E644 VanDerWaalsContact CE1-OE1 3.31Å; Y633-E644 WeakPolarHBondContact CE1-OE1 3.49Å; E644-R646 PolarHBondContact O-N 2.76Å
645I95.1Very high90.4Very high15 Ų1543.7 Ų43.78%0.07724%0.238CC..EExtended strand (participates in β ladder)trans-85.4102.6-178.9-59.4-177.6000108.9Y633 Y634 Q641 E643 L647 W684 T687 I690Y633-I645 WeakPolarHBondContact CA-O 3.49Å; Y634-I645 HydrophobicContact CD1-CD1 4.35Å; Y634-I645 PolarHBondContact N-O 2.96Å; Q641-I645 HydrophobicContact CG-CD1 4.16Å; Q641-I645 HydrophobicContact CG-CG1 4.36Å; E643-I645 PolarHBondContact O-N 3.28Å; I645-L647 HydrophobicContact CG2-CD2 4.04Å; I645-L647 HydrophobicContact CG2-CG 4.49Å; I645-W684 HydrophobicContact CG2-CE3 4.22Å; I645-W684 HydrophobicContact CG2-CZ3 4.17Å; I645-T687 HydrophobicContact CD1-CG2 4.17Å; I645-T687 HydrophobicContact CG1-CG2 3.96Å; I645-T687 HydrophobicContact CG2-CG2 4.18Å; I645-I690 HydrophobicContact CD1-CD1 3.95Å
646R95.5Very high88.8Confident93 Ų9350.3 Ų50.335%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-103.1119.3177.5-173.7-168.571.9166.1-7.6110.9D631 L632 Y633 E644 N685D631-R646 HydrophobicContact CB-CG 4.06Å; D631-R646 IonicContact OD1-NE 2.66Å; D631-R646 WeakPolarHBondContact OD2-CD 3.12Å; D631-R646 IonicContact OD2-CZ 2.7Å; D631-R646 IonicContact OD2-NE 2.67Å; D631-R646 IonicContact OD2-NH1 3.78Å; D631-R646 PolarHBondContact OD2-NH1 3.18Å; L632-R646 CarbonylContact O-C 3.51Å; L632-R646 WeakPolarHBondContact O-CA 3.34Å; Y633-R646 HydrophobicContact CD1-CB 4.27Å; Y633-R646 HydrophobicContact CD1-CG 4.37Å; Y633-R646 HydrophobicContact CE1-CB 3.98Å; Y633-R646 HydrophobicContact CE1-CG 3.85Å; Y633-R646 HydrophobicContact CE2-CG 4.19Å; E644-R646 PolarHBondContact O-N 2.76Å; R646-N685 PolarHBondContact NE-ND2 3.2Å; R646-N685 VanDerWaalsContact NH2-CG 3.33Å; R646-N685 PolarHBondContact NH2-OD1 3.3Å; R646-N685 PolarHBondContact O-ND2 3.02Å
647L96.4Very high87Confident0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-102.9117.3177.4-54-178.6000109.8L613 D631 L632 I645 L669 I673 V682 N683 W684L613-L647 HydrophobicContact CD1-CD1 4.14Å; D631-L647 WeakPolarHBondContact CA-O 3.37Å; L632-L647 PolarHBondContact N-O 2.9Å; L632-L647 PolarHBondContact O-N 3.27Å; I645-L647 HydrophobicContact CG2-CD2 4.04Å; I645-L647 HydrophobicContact CG2-CG 4.49Å; L647-L669 HydrophobicContact CD1-CD2 3.72Å; L647-L669 HydrophobicContact CD1-CG 4.26Å; L647-I673 HydrophobicContact CD1-CD1 3.83Å; L647-V682 HydrophobicContact CB-CG1 3.89Å; L647-V682 HydrophobicContact CD1-CG1 4.29Å; L647-V682 HydrophobicContact CD2-CG1 4.29Å; L647-V682 HydrophobicContact CG-CG1 4.38Å; L647-N683 WeakPolarHBondContact CA-O 3.46Å; L647-W684 HydrophobicContact CD2-CB 4.35Å; L647-W684 HydrophobicContact CD2-CD2 3.51Å; L647-W684 HydrophobicContact CD2-CE3 3.45Å; L647-W684 VanDerWaalsContact CD2-CE3 3.45Å; L647-W684 HydrophobicContact CD2-CG 3.93Å; L647-W684 HydrophobicContact CD2-CH2 4.42Å; L647-W684 HydrophobicContact CD2-CZ2 4.47Å; L647-W684 HydrophobicContact CD2-CZ3 3.94Å
648T95.6Very high85.2Confident17 Ų1762.6 Ų62.610%0.10432%0.32CS..EExtended strand (participates in β ladder)trans-87.9119.9170.5-550000108.3E629 D631 N683 N685E629-T648 HydrophobicContact CG-CG2 3.78Å; D631-T648 WeakPolarHBondContact OD1-CB 3.47Å; D631-T648 PolarHBondContact OD1-OG1 2.78Å; T648-N683 PolarHBondContact N-O 2.9Å; T648-N683 PolarHBondContact O-N 2.84Å; T648-N685 PolarHBondContact N-ND2 2.87Å; T648-N685 PolarHBondContact OG1-ND2 2.65Å
649V94Very high83.3Confident0 Ų065.5 Ų65.50%033%0.332CS..EExtended strand (participates in β ladder)trans-109.6124-175.4-1770000109.1E629 F630 L632 V651 I673 A680 S681 V682E629-V649 WeakPolarHBondContact CA-O 3.42Å; F630-V649 HydrophobicContact CD2-CB 4.21Å; F630-V649 HydrophobicContact CE1-CB 4.38Å; F630-V649 HydrophobicContact CE1-CG1 4.33Å; F630-V649 HydrophobicContact CE2-CB 3.68Å; F630-V649 HydrophobicContact CE2-CG1 4.05Å; F630-V649 HydrophobicContact CE2-CG2 4.18Å; F630-V649 HydrophobicContact CZ-CB 3.76Å; F630-V649 HydrophobicContact CZ-CG1 3.67Å; F630-V649 PolarHBondContact N-O 3.27Å; F630-V649 PolarHBondContact O-N 2.73Å; L632-V649 HydrophobicContact CD1-CG2 3.93Å; L632-V649 HydrophobicContact CG-CG2 4.15Å; V649-V651 HydrophobicContact CG1-CG2 4.44Å; V649-I673 HydrophobicContact CG1-CG2 4.06Å; V649-I673 HydrophobicContact CG2-CD1 4.5Å; V649-I673 HydrophobicContact CG2-CG2 4.34Å; V649-A680 HydrophobicContact CG1-CB 3.96Å; V649-S681 WeakPolarHBondContact CA-O 3.49Å; V649-V682 HydrophobicContact CG2-CG1 4.41Å; V649-V682 HydrophobicContact CG2-CG2 4.29Å
650S92.4Very high81.4Confident8 Ų872.1 Ų72.16%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-116.7139.4179.6-35.90000110.2L628 E629 A680 S681L628-S650 CarbonylContact O-C 3.57Å; L628-S650 WeakPolarHBondContact O-CA 3.38Å; E629-S650 WeakPolarHBondContact OE2-CB 3.3Å; E629-S650 PolarHBondContact OE2-OG 3.46Å; S650-A680 WeakPolarHBondContact O-CA 3.38Å; S650-A680 WeakPolarHBondContact O-CB 3.46Å; S650-S681 PolarHBondContact N-O 3.12Å; S650-S681 PolarHBondContact O-N 2.89Å; S650-S681 PolarHBondContact O-OG 3.48Å
651V89.2Confident80.1Confident22 Ų2272.9 Ų72.913%0.13335%0.353CS..  trans-127.4159.5-169.3-169.80000110.2L628 F630 V649 K653 L654 W677 A680L628-V651 HydrophobicContact CB-CB 4.43Å; L628-V651 PolarHBondContact O-N 2.73Å; F630-V651 HydrophobicContact CE1-CG2 3.87Å; F630-V651 HydrophobicContact CZ-CG2 4.37Å; V649-V651 HydrophobicContact CG1-CG2 4.44Å; V651-K653 PolarHBondContact O-N 2.63Å; V651-L654 PolarHBondContact O-N 3.47Å; V651-W677 HydrophobicContact CG2-CB 4.15Å; V651-W677 HydrophobicContact CG2-CG 4.32Å; V651-A680 HydrophobicContact CG2-CB 4.11Å
652G84.9Confident78.7Confident30 Ų3076.8 Ų76.831%0.30938%0.375SS..THydrogen-bonded Turntrans64.7-132.2175.700000112.9E626 L654 A655E626-G652 WeakPolarHBondContact O-CA 3.28Å; G652-L654 PolarHBondContact O-N 2.61Å; G652-A655 PolarHBondContact O-N 2.9Å
653K76.7Confident77.5Confident103 Ų10373.2 Ų73.245%0.44837%0.37SS..THydrogen-bonded Turntrans-69.8-17.3-177.2-57.2167.4-147.871.20112.4E626 D627 V651E626-K653 IonicContact OE2-NZ 3.22Å; E626-K653 PolarHBondContact OE2-NZ 3.01Å; D627-K653 VanDerWaalsContact OD1-CB 3.23Å; D627-K653 WeakPolarHBondContact OD1-CB 3.44Å; D627-K653 WeakPolarHBondContact OD1-CG 3.37Å; D627-K653 PolarHBondContact OD1-N 3.45Å; D627-K653 IonicContact OD1-NZ 2.81Å; D627-K653 PolarHBondContact OD1-NZ 3.32Å; D627-K653 VanDerWaalsContact OD2-CD 3.32Å; D627-K653 WeakPolarHBondContact OD2-CD 3.21Å; D627-K653 WeakPolarHBondContact OD2-CE 3.29Å; D627-K653 IonicContact OD2-NZ 2.69Å; D627-K653 PolarHBondContact OD2-NZ 3Å; V651-K653 PolarHBondContact O-N 2.63Å
654L75.1Confident76.3Confident49 Ų4975.2 Ų75.226%0.25738%0.384SS..THydrogen-bonded Turntrans-73.3-40.8173.9-62176.8000111.4D627 E629 V651 G652 Q656 K657D627-L654 HydrophobicContact CB-CD1 4.48Å; D627-L654 HydrophobicContact CB-CG 4.3Å; D627-L654 WeakPolarHBondContact O-CD1 3.13Å; E629-L654 HydrophobicContact CB-CD1 3.93Å; V651-L654 PolarHBondContact O-N 3.47Å; G652-L654 PolarHBondContact O-N 2.61Å; L654-Q656 PolarHBondContact O-N 2.53Å; L654-K657 PolarHBondContact O-N 2.97Å
655A75.8Confident75.7Confident4 Ų478.3 Ų78.33%0.03340%0.402CS..G310 helixtrans-61.2-33.1178.100000113G652 K657 H658 S681G652-A655 PolarHBondContact O-N 2.9Å; A655-K657 PolarHBondContact O-N 3.09Å; A655-H658 PolarHBondContact O-N 3.39Å; A655-S681 WeakPolarHBondContact CA-OG 3.4Å
656Q64.8Low75.3Confident149 Ų14979 Ų7970%0.69641%0.406SS*.G310 helixtrans-64.8-9.4-178.9-65.2179.5-2.100114.3L654 H658L654-Q656 PolarHBondContact O-N 2.53Å; Q656-H658 VanDerWaalsContact C-N 3.32Å
657K57.6Low75.2Confident155 Ų15575 Ų7567%0.67439%0.391SS*.G310 helixtrans-78.4-12.8172.3-66.6178.2-179.3171.60113.8L654 A655L654-K657 PolarHBondContact O-N 2.97Å; A655-K657 PolarHBondContact O-N 3.09Å
658H56.3Low75Confident129 Ų12976 Ų7660%0.59740%0.398SS*.SBendtrans-129.556.8-168.5-65.5-80.7000112.5A655 Q656A655-H658 PolarHBondContact O-N 3.39Å; Q656-H658 VanDerWaalsContact C-N 3.32Å
659Q54.6Low75Confident118 Ų11875.6 Ų75.655%0.55140%0.395SS*.  trans-145.186.6-178-108.3170.432.700115.3
660E51.9Low75Confident201 Ų20176.4 Ų76.494%0.93940%0.399SS*.  -139.897.1129.9-84-162.3163.500106.8
661V59.6Low75.1Confident106 Ų10676.9 Ų76.964%0.64240%0.401SS*.  trans-136.7135.6178.1-1750000107.6
662D63.1Low75.5Confident101 Ų10175.9 Ų75.954%0.5440%0.395SS..  trans-64.1137.3178.8-159.8-19.3000110.8D664 L665D662-D664 PolarHBondContact O-N 3.08Å; D662-L665 HydrophobicContact CB-CD1 4.1Å; D662-L665 HydrophobicContact CB-CG 4.22Å; D662-L665 PolarHBondContact O-N 3.42Å
663A64.1Low76Confident70 Ų7074.4 Ų74.458%0.57938%0.38SS*.G310 helixtrans-65.7-30.7-176.500000112.1L665A663-L665 PolarHBondContact O-N 3.07Å
664D66.8Low76.8Confident152 Ų15272.4 Ų72.481%0.81337%0.37SS*.G310 helixtrans-75.2-3.3179.3-74.3-2.4000113.3D662D662-D664 PolarHBondContact O-N 3.08Å
665L79.9Confident77.7Confident122 Ų12271.4 Ų71.464%0.63937%0.365SS*.G310 helixtrans-111.37.4-179.9-64179000114.3D662 A663 P667D662-L665 HydrophobicContact CB-CD1 4.1Å; D662-L665 HydrophobicContact CB-CG 4.22Å; D662-L665 PolarHBondContact O-N 3.42Å; A663-L665 PolarHBondContact O-N 3.07Å; L665-P667 WeakPolarHBondContact O-CD 3.41Å
666I87.5Confident78.5Confident30 Ų3073.6 Ų73.615%0.15437%0.373CS..  trans-83.8122.4-175.8-57.2169.7000110.6E670 L671I666-E670 HydrophobicContact CG2-CB 3.85Å; I666-L671 HydrophobicContact CB-CD2 3.95Å; I666-L671 HydrophobicContact CB-CG 4.48Å; I666-L671 HydrophobicContact CG2-CD2 3.51Å; I666-L671 HydrophobicContact CG2-CG 4Å
667P91.9Very high79.8Confident8 Ų867.5 Ų67.55%0.05234%0.343CS..  trans-56139.5-179.6-27.334.1000113.9L665 L669 E670 L671 W684 P689 I690 L691L665-P667 WeakPolarHBondContact O-CD 3.41Å; P667-L669 PolarHBondContact O-N 2.85Å; P667-L669 VanDerWaalsContact O-N 3.08Å; P667-E670 HydrophobicContact CB-CG 4.23Å; P667-E670 WeakPolarHBondContact CD-OE1 3.14Å; P667-E670 HydrophobicContact CG-CG 4.32Å; P667-E670 WeakPolarHBondContact O-CA 3.21Å; P667-E670 WeakPolarHBondContact O-CB 3.36Å; P667-E670 PolarHBondContact O-N 3.27Å; P667-L671 PolarHBondContact O-N 2.84Å; P667-L671 VanDerWaalsContact O-N 3.13Å; P667-W684 HydrophobicContact CB-CZ2 3.74Å; P667-W684 HydrophobicContact CG-CZ2 3.98Å; P667-P689 HydrophobicContact CG-CB 3.63Å; P667-I690 WeakPolarHBondContact CB-O 3.39Å; P667-L691 HydrophobicContact CG-CD2 4.28Å
668P93.8Very high81.3Confident22 Ų2267.2 Ų67.214%0.14334%0.342CS..Hα-helixtrans-56.3-30.4-179.9-28.936.7000114.5L581 L671 C672 L691L581-P668 HydrophobicContact CD1-CB 4.07Å; L581-P668 HydrophobicContact CD2-CB 4.03Å; P668-L671 PolarHBondContact O-N 3.22Å; P668-C672 PolarHBondContact O-N 3.09Å; P668-C672 PolarHBondContact O-SG 2.89Å; P668-L691 VanDerWaalsContact CD-OXT 3.25Å; P668-L691 WeakPolarHBondContact CD-OXT 3.48Å; P668-L691 VanDerWaalsContact CG-OXT 3.28Å; P668-L691 WeakPolarHBondContact CG-OXT 3.46Å
669L94.9Very high82.6Confident9 Ų965.6 Ų65.65%0.04734%0.338CS..Hα-helixtrans-66.2-38174.5-177.158.3000112.3V604 Y634 L647 P667 C672 I673 W684V604-L669 HydrophobicContact CG1-CD1 4.07Å; V604-L669 HydrophobicContact CG2-CD1 4.18Å; Y634-L669 HydrophobicContact CD1-CD2 4.17Å; Y634-L669 HydrophobicContact CD2-CD1 3.78Å; Y634-L669 HydrophobicContact CD2-CD2 3.38Å; Y634-L669 HydrophobicContact CD2-CG 4.25Å; Y634-L669 HydrophobicContact CE1-CD2 4.46Å; Y634-L669 HydrophobicContact CE2-CD1 3.72Å; Y634-L669 HydrophobicContact CE2-CD2 3.71Å; Y634-L669 HydrophobicContact CE2-CG 4.36Å; Y634-L669 HydrophobicContact CG-CD2 3.61Å; L647-L669 HydrophobicContact CD1-CD2 3.72Å; L647-L669 HydrophobicContact CD1-CG 4.26Å; P667-L669 PolarHBondContact O-N 2.85Å; P667-L669 VanDerWaalsContact O-N 3.08Å; L669-C672 WeakPolarHBondContact O-CB 3.46Å; L669-C672 PolarHBondContact O-N 3.11Å; L669-I673 HydrophobicContact CG-CD1 4.43Å; L669-I673 WeakPolarHBondContact O-CG1 3.48Å; L669-I673 PolarHBondContact O-N 3.41Å; L669-W684 HydrophobicContact CB-CH2 4.24Å; L669-W684 HydrophobicContact CB-CZ2 4.42Å; L669-W684 HydrophobicContact CD2-CH2 3.8Å; L669-W684 HydrophobicContact CD2-CZ2 4.46Å; L669-W684 HydrophobicContact CD2-CZ3 4.43Å
670E94.7Very high84.4Confident17 Ų1760 Ų608%0.07931%0.311CS..Hα-helixtrans-67.6-40.1173.2-66.7-168.7-14300111.7I666 P667 C672 I673 R674 V682 W684I666-E670 HydrophobicContact CG2-CB 3.85Å; P667-E670 HydrophobicContact CB-CG 4.23Å; P667-E670 WeakPolarHBondContact CD-OE1 3.14Å; P667-E670 HydrophobicContact CG-CG 4.32Å; P667-E670 WeakPolarHBondContact O-CA 3.21Å; P667-E670 WeakPolarHBondContact O-CB 3.36Å; P667-E670 PolarHBondContact O-N 3.27Å; E670-C672 PolarHBondContact O-N 3.43Å; E670-I673 PolarHBondContact O-N 3.39Å; E670-I673 VanDerWaalsContact O-N 3.11Å; E670-R674 WeakPolarHBondContact O-CB 3.31Å; E670-R674 VanDerWaalsContact O-CG 3.24Å; E670-R674 WeakPolarHBondContact O-CG 3.36Å; E670-R674 PolarHBondContact O-N 3.3Å; E670-R674 IonicContact OE2-CZ 2.66Å; E670-R674 IonicContact OE2-NE 2.83Å; E670-R674 IonicContact OE2-NH2 3.59Å; E670-R674 PolarHBondContact OE2-NH2 3.21Å; E670-V682 HydrophobicContact CB-CG2 4.34Å; E670-V682 HydrophobicContact CG-CB 3.78Å; E670-V682 HydrophobicContact CG-CG1 4.2Å; E670-V682 HydrophobicContact CG-CG2 3.85Å; E670-W684 HydrophobicContact CG-CZ2 4.34Å; E670-W684 PolarHBondContact OE1-NE1 3.4Å
671L94.8Very high86.2Confident18 Ų1851 Ų519%0.09427%0.271CS..Hα-helixtrans-59-38.6174.8-59.2-179.3000110.9L581 H584 I666 P667 P668 T675L581-L671 HydrophobicContact CD1-CB 3.72Å; L581-L671 HydrophobicContact CD1-CD1 4.08Å; H584-L671 HydrophobicContact CB-CB 4.34Å; I666-L671 HydrophobicContact CB-CD2 3.95Å; I666-L671 HydrophobicContact CB-CG 4.48Å; I666-L671 HydrophobicContact CG2-CD2 3.51Å; I666-L671 HydrophobicContact CG2-CG 4Å; P667-L671 PolarHBondContact O-N 2.84Å; P667-L671 VanDerWaalsContact O-N 3.13Å; P668-L671 PolarHBondContact O-N 3.22Å; L671-T675 WeakPolarHBondContact O-CG2 3.48Å; L671-T675 PolarHBondContact O-N 2.84Å
672C95.9Very high87.8Confident0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-63.2-47.3170.8-65.40000112.7L579 L581 V604 P668 L669 E670 R674 T675L579-C672 HydrophobicContact CB-CB 4.47Å; L581-C672 PolarHBondContact N-SG 3.38Å; L581-C672 VanDerWaalsContact N-SG 3.41Å; V604-C672 HydrophobicContact CG1-CB 4.04Å; P668-C672 PolarHBondContact O-N 3.09Å; P668-C672 PolarHBondContact O-SG 2.89Å; L669-C672 WeakPolarHBondContact O-CB 3.46Å; L669-C672 PolarHBondContact O-N 3.11Å; E670-C672 PolarHBondContact O-N 3.43Å; C672-R674 VanDerWaalsContact C-N 3.32Å; C672-R674 PolarHBondContact O-N 3.09Å; C672-T675 WeakPolarHBondContact O-CB 3.2Å; C672-T675 PolarHBondContact O-N 3.18Å; C672-T675 PolarHBondContact O-OG1 3.27Å
673I95.6Very high89.3Confident0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-57.8-44.7177.1-72.1166.1000110.9L613 L647 V649 L669 E670 T675 R676 W677 V682L613-I673 HydrophobicContact CD2-CD1 4.1Å; L613-I673 HydrophobicContact CD2-CG1 3.63Å; L647-I673 HydrophobicContact CD1-CD1 3.83Å; V649-I673 HydrophobicContact CG1-CG2 4.06Å; V649-I673 HydrophobicContact CG2-CD1 4.5Å; V649-I673 HydrophobicContact CG2-CG2 4.34Å; L669-I673 HydrophobicContact CG-CD1 4.43Å; L669-I673 WeakPolarHBondContact O-CG1 3.48Å; L669-I673 PolarHBondContact O-N 3.41Å; E670-I673 PolarHBondContact O-N 3.39Å; E670-I673 VanDerWaalsContact O-N 3.11Å; I673-T675 PolarHBondContact O-N 3.08Å; I673-R676 PolarHBondContact O-N 3.02Å; I673-W677 HydrophobicContact CG2-CE3 3.97Å; I673-W677 PolarHBondContact O-N 3.03Å; I673-V682 HydrophobicContact CD1-CG1 4.44Å; I673-V682 HydrophobicContact CD1-CG2 4.14Å; I673-V682 HydrophobicContact CG2-CG2 4.1Å
674R94.1Very high90.7Very high61 Ų6143.7 Ų43.723%0.2322%0.218CC..Hα-helixtrans-67.1-15.4-179.4-66.6172.4-162.9-153.311.3113.7E670 C672 R676 W677 A680E670-R674 WeakPolarHBondContact O-CB 3.31Å; E670-R674 VanDerWaalsContact O-CG 3.24Å; E670-R674 WeakPolarHBondContact O-CG 3.36Å; E670-R674 PolarHBondContact O-N 3.3Å; E670-R674 IonicContact OE2-CZ 2.66Å; E670-R674 IonicContact OE2-NE 2.83Å; E670-R674 IonicContact OE2-NH2 3.59Å; E670-R674 PolarHBondContact OE2-NH2 3.21Å; C672-R674 VanDerWaalsContact C-N 3.32Å; C672-R674 PolarHBondContact O-N 3.09Å; R674-R676 PolarHBondContact O-N 3.45Å; R674-W677 WeakPolarHBondContact CA-O 3.31Å; R674-A680 PolarHBondContact NE-O 3.46Å
675T94.1Very high91.9Very high27 Ų2738.5 Ų38.517%0.16619%0.191CC..THydrogen-bonded Turntrans-68-24.3168.471.60000113.1E583 H584 K595 L671 C672 I673E583-T675 HydrophobicContact CB-CG2 4.21Å; E583-T675 HydrophobicContact CG-CG2 4.31Å; E583-T675 WeakPolarHBondContact OE2-CB 3.2Å; H584-T675 HydrophobicContact CB-CG2 4.11Å; K595-T675 WeakPolarHBondContact CE-O 3.37Å; K595-T675 PolarHBondContact NZ-O 3.25Å; L671-T675 WeakPolarHBondContact O-CG2 3.48Å; L671-T675 PolarHBondContact O-N 2.84Å; C672-T675 WeakPolarHBondContact O-CB 3.2Å; C672-T675 PolarHBondContact O-N 3.18Å; C672-T675 PolarHBondContact O-OG1 3.27Å; I673-T675 PolarHBondContact O-N 3.08Å
676R92.9Very high92.4Very high50 Ų5042.6 Ų42.619%0.18921%0.206CC..THydrogen-bonded Turntrans-103.8-51.7-180174.7175.3165.167.814.8111.9L579 K595 S596 W602 I673 R674L579-R676 HydrophobicContact CD2-CB 3.8Å; K595-R676 HydrophobicContact CD-CB 4.32Å; K595-R676 HydrophobicContact CG-CB 4.11Å; K595-R676 HydrophobicContact CG-CG 4.06Å; K595-R676 WeakPolarHBondContact O-CD 3.38Å; K595-R676 PolarHBondContact O-NH1 3.48Å; S596-R676 PolarHBondContact OG-NH1 3.11Å; W602-R676 VanDerWaalsContact CZ2-NE 3.29Å; I673-R676 PolarHBondContact O-N 3.02Å; R674-R676 PolarHBondContact O-N 3.45Å
677W91.9Very high92.5Very high22 Ų2242.1 Ų42.18%0.08321%0.205CC..SBendtrans-10388.1176-63.2-87.1000108.3W602 L620 F630 L632 V651 I673 R674 D679 A680W602-W677 AromaticContact CH2-CH2 3.65Å; W602-W677 HydrophobicContact CH2-CH2 3.65Å; W602-W677 HydrophobicContact CH2-CZ2 4.12Å; W602-W677 HydrophobicContact CZ2-CH2 4.05Å; W602-W677 HydrophobicContact CZ2-CZ2 4.49Å; W602-W677 AromaticContact CZ3-CH2 3.94Å; W602-W677 HydrophobicContact CZ3-CH2 3.94Å; L620-W677 HydrophobicContact CD1-CZ2 4.15Å; L620-W677 HydrophobicContact CD2-CZ2 4.27Å; L620-W677 HydrophobicContact CG-CZ2 4.26Å; F630-W677 AromaticContact CE1-NE1 3.86Å; F630-W677 HydrophobicContact CE2-CD2 4.43Å; F630-W677 AromaticContact CE2-CE2 3.94Å; F630-W677 HydrophobicContact CE2-CH2 4.11Å; F630-W677 AromaticContact CE2-CZ2 3.77Å; F630-W677 HydrophobicContact CE2-CZ2 3.77Å; F630-W677 AromaticContact CZ-CD1 3.85Å; F630-W677 AromaticContact CZ-CD2 3.79Å; F630-W677 HydrophobicContact CZ-CD2 3.79Å; F630-W677 AromaticContact CZ-CE2 3.38Å; F630-W677 HydrophobicContact CZ-CE3 4.45Å; F630-W677 HydrophobicContact CZ-CG 4.05Å; F630-W677 HydrophobicContact CZ-CH2 4.36Å; F630-W677 AromaticContact CZ-CZ2 3.71Å; F630-W677 HydrophobicContact CZ-CZ2 3.71Å; F630-W677 AromaticContact CZ-NE1 3.44Å; L632-W677 HydrophobicContact CD1-CH2 3.97Å; L632-W677 HydrophobicContact CD1-CZ3 3.84Å; L632-W677 HydrophobicContact CD2-CH2 4.35Å; V651-W677 HydrophobicContact CG2-CB 4.15Å; V651-W677 HydrophobicContact CG2-CG 4.32Å; I673-W677 HydrophobicContact CG2-CE3 3.97Å; I673-W677 PolarHBondContact O-N 3.03Å; R674-W677 WeakPolarHBondContact CA-O 3.31Å; W677-D679 PolarHBondContact O-N 3.36Å; W677-A680 HydrophobicContact CB-CB 3.87Å; W677-A680 WeakPolarHBondContact O-CB 3.25Å; W677-A680 PolarHBondContact O-N 3.44Å
678K88.1Confident92.3Very high148 Ų14849.9 Ų49.964%0.64324%0.241SC*.THydrogen-bonded Turntrans-56.8138-175.5-165-164.1174.2-70.60110.3A680K678-A680 PolarHBondContact O-N 3.11Å; K678-A680 VanDerWaalsContact O-N 3.09Å
679D85.2Confident92Very high95 Ų9551.7 Ų51.751%0.50825%0.252SS..THydrogen-bonded Turntrans6012.7178-43.7-39.4000115.5W677W677-D679 PolarHBondContact O-N 3.36Å
680A90.9Very high91.5Very high0 Ų054.4 Ų54.40%027%0.266CS..  trans-66.5144.6179.400000113.3V649 S650 V651 R674 W677 K678V649-A680 HydrophobicContact CG1-CB 3.96Å; S650-A680 WeakPolarHBondContact O-CA 3.38Å; S650-A680 WeakPolarHBondContact O-CB 3.46Å; V651-A680 HydrophobicContact CG2-CB 4.11Å; R674-A680 PolarHBondContact NE-O 3.46Å; W677-A680 HydrophobicContact CB-CB 3.87Å; W677-A680 WeakPolarHBondContact O-CB 3.25Å; W677-A680 PolarHBondContact O-N 3.44Å; K678-A680 PolarHBondContact O-N 3.11Å; K678-A680 VanDerWaalsContact O-N 3.09Å
681S91.1Very high90.3Very high12 Ų1261.8 Ų61.88%0.08431%0.305CS..EExtended strand (participates in β ladder)trans-92.6144.1168.159.10000110.4V649 S650 A655V649-S681 WeakPolarHBondContact CA-O 3.49Å; S650-S681 PolarHBondContact N-O 3.12Å; S650-S681 PolarHBondContact O-N 2.89Å; S650-S681 PolarHBondContact O-OG 3.48Å; A655-S681 WeakPolarHBondContact CA-OG 3.4Å
682V92.9Very high90.1Very high21 Ų2164 Ų6413%0.12732%0.316CS..EExtended strand (participates in β ladder)trans-121.9128.9177.7-174.40000109.4L647 V649 E670 I673L647-V682 HydrophobicContact CB-CG1 3.89Å; L647-V682 HydrophobicContact CD1-CG1 4.29Å; L647-V682 HydrophobicContact CD2-CG1 4.29Å; L647-V682 HydrophobicContact CG-CG1 4.38Å; V649-V682 HydrophobicContact CG2-CG1 4.41Å; V649-V682 HydrophobicContact CG2-CG2 4.29Å; E670-V682 HydrophobicContact CB-CG2 4.34Å; E670-V682 HydrophobicContact CG-CB 3.78Å; E670-V682 HydrophobicContact CG-CG1 4.2Å; E670-V682 HydrophobicContact CG-CG2 3.85Å; I673-V682 HydrophobicContact CD1-CG1 4.44Å; I673-V682 HydrophobicContact CD1-CG2 4.14Å; I673-V682 HydrophobicContact CG2-CG2 4.1Å
683N93.6Very high89.8Confident90 Ų9067.3 Ų67.348%0.48133%0.332SS..EExtended strand (participates in β ladder)trans-105.4123.1171.2178.46.2000109L647 T648 N685L647-N683 WeakPolarHBondContact CA-O 3.46Å; T648-N683 PolarHBondContact N-O 2.9Å; T648-N683 PolarHBondContact O-N 2.84Å; N683-N685 VanDerWaalsContact C-N 3.25Å; N683-N685 PolarHBondContact O-N 3.2Å; N683-N685 PolarHBondContact OD1-N 3.02Å
684W93.9Very high89.5Confident14 Ų1471.1 Ų71.15%0.05335%0.351CS..  trans-800.7-179.6-70.176.2000114.1I645 L647 P667 L669 E670 E686 T687 P689 I690I645-W684 HydrophobicContact CG2-CE3 4.22Å; I645-W684 HydrophobicContact CG2-CZ3 4.17Å; L647-W684 HydrophobicContact CD2-CB 4.35Å; L647-W684 HydrophobicContact CD2-CD2 3.51Å; L647-W684 HydrophobicContact CD2-CE3 3.45Å; L647-W684 VanDerWaalsContact CD2-CE3 3.45Å; L647-W684 HydrophobicContact CD2-CG 3.93Å; L647-W684 HydrophobicContact CD2-CH2 4.42Å; L647-W684 HydrophobicContact CD2-CZ2 4.47Å; L647-W684 HydrophobicContact CD2-CZ3 3.94Å; P667-W684 HydrophobicContact CB-CZ2 3.74Å; P667-W684 HydrophobicContact CG-CZ2 3.98Å; L669-W684 HydrophobicContact CB-CH2 4.24Å; L669-W684 HydrophobicContact CB-CZ2 4.42Å; L669-W684 HydrophobicContact CD2-CH2 3.8Å; L669-W684 HydrophobicContact CD2-CZ2 4.46Å; L669-W684 HydrophobicContact CD2-CZ3 4.43Å; E670-W684 HydrophobicContact CG-CZ2 4.34Å; E670-W684 PolarHBondContact OE1-NE1 3.4Å; W684-E686 PolarHBondContact O-N 3.29Å; W684-T687 WeakPolarHBondContact CB-O 3.14Å; W684-T687 VanDerWaalsContact O-CB 3.32Å; W684-T687 WeakPolarHBondContact O-CB 3.28Å; W684-T687 PolarHBondContact O-N 3Å; W684-T687 VanDerWaalsContact O-N 3.17Å; W684-T687 PolarHBondContact O-OG1 2.7Å; W684-P689 HydrophobicContact CD2-CB 3.98Å; W684-P689 HydrophobicContact CD2-CG 4.22Å; W684-P689 HydrophobicContact CE3-CB 4.48Å; W684-P689 HydrophobicContact CG-CB 4.29Å; W684-P689 HydrophobicContact CG-CG 4.02Å; W684-P689 HydrophobicContact CZ2-CB 4.15Å; W684-I690 HydrophobicContact CH2-CB 3.92Å; W684-I690 HydrophobicContact CH2-CD1 4.39Å; W684-I690 HydrophobicContact CH2-CG1 4.07Å; W684-I690 VanDerWaalsContact CH2-N 3.3Å; W684-I690 HydrophobicContact CZ3-CB 4.2Å; W684-I690 HydrophobicContact CZ3-CD1 4.09Å; W684-I690 HydrophobicContact CZ3-CG1 3.83Å
685N92.8Very high89.2Confident43 Ų4371.6 Ų71.623%0.2336%0.358CS..THydrogen-bonded Turntrans52.552.7175.2-69.4-70000113.7R646 T648 N683 T687R646-N685 PolarHBondContact NE-ND2 3.2Å; R646-N685 VanDerWaalsContact NH2-CG 3.33Å; R646-N685 PolarHBondContact NH2-OD1 3.3Å; R646-N685 PolarHBondContact O-ND2 3.02Å; T648-N685 PolarHBondContact N-ND2 2.87Å; T648-N685 PolarHBondContact OG1-ND2 2.65Å; N683-N685 VanDerWaalsContact C-N 3.25Å; N683-N685 PolarHBondContact O-N 3.2Å; N683-N685 PolarHBondContact OD1-N 3.02Å; N685-T687 PolarHBondContact O-N 2.7Å; N685-T687 VanDerWaalsContact O-N 3.16Å
686E89.4Confident88.9Confident207 Ų20774.4 Ų74.497%0.96737%0.37SS*.THydrogen-bonded Turntrans71.6-9.6-179.8-51.6178.1-176.400115.6W684W684-E686 PolarHBondContact O-N 3.29Å
687T89.9Confident88.6Confident21 Ų2176.1 Ų76.113%0.12938%0.382CS..SBendtrans-67.4144.1166.2-56.80000111.6I645 W684 N685I645-T687 HydrophobicContact CD1-CG2 4.17Å; I645-T687 HydrophobicContact CG1-CG2 3.96Å; I645-T687 HydrophobicContact CG2-CG2 4.18Å; W684-T687 WeakPolarHBondContact CB-O 3.14Å; W684-T687 VanDerWaalsContact O-CB 3.32Å; W684-T687 WeakPolarHBondContact O-CB 3.28Å; W684-T687 PolarHBondContact O-N 3Å; W684-T687 VanDerWaalsContact O-N 3.17Å; W684-T687 PolarHBondContact O-OG1 2.7Å; N685-T687 PolarHBondContact O-N 2.7Å; N685-T687 VanDerWaalsContact O-N 3.16Å
688E88.7Confident88.4Confident171 Ų17179.9 Ų79.980%0.79940%0.403SS*.PPolyproline II helixtrans-67.8128.7173.4-172.5169.7-159.700111.6I690E688-I690 PolarHBondContact O-N 2.94Å
689P87.3Confident88.4Confident60 Ų6074.7 Ų74.739%0.3939%0.385SS..PPolyproline II helixtrans-63.6131.8-179.8-24.134.5000113.9P667 W684 L691P667-P689 HydrophobicContact CG-CB 3.63Å; W684-P689 HydrophobicContact CD2-CB 3.98Å; W684-P689 HydrophobicContact CD2-CG 4.22Å; W684-P689 HydrophobicContact CE3-CB 4.48Å; W684-P689 HydrophobicContact CG-CB 4.29Å; W684-P689 HydrophobicContact CG-CG 4.02Å; W684-P689 HydrophobicContact CZ2-CB 4.15Å; P689-L691 PolarHBondContact O-N 3Å
690I84.1Confident88.7Confident66 Ų6673 Ų7334%0.33838%0.375SS..  trans-79.1101.4178.9-56168.1000109.8Y634 I645 P667 W684 E688Y634-I690 HydrophobicContact CD1-CD1 3.79Å; Y634-I690 HydrophobicContact CE1-CD1 3.5Å; Y634-I690 VanDerWaalsContact CE1-CD1 3.5Å; I645-I690 HydrophobicContact CD1-CD1 3.95Å; P667-I690 WeakPolarHBondContact CB-O 3.39Å; W684-I690 HydrophobicContact CH2-CB 3.92Å; W684-I690 HydrophobicContact CH2-CD1 4.39Å; W684-I690 HydrophobicContact CH2-CG1 4.07Å; W684-I690 VanDerWaalsContact CH2-N 3.3Å; W684-I690 HydrophobicContact CZ3-CB 4.2Å; W684-I690 HydrophobicContact CZ3-CD1 4.09Å; W684-I690 HydrophobicContact CZ3-CG1 3.83Å; E688-I690 PolarHBondContact O-N 2.94Å
691L69.4Low88.5Confident171 Ų17179.6 Ų79.690%0.89541%0.409SS*.  trans-80.90174.1-61.8175.9000112.7P667 P668 P689P667-L691 HydrophobicContact CG-CD2 4.28Å; P668-L691 VanDerWaalsContact CD-OXT 3.25Å; P668-L691 WeakPolarHBondContact CD-OXT 3.48Å; P668-L691 VanDerWaalsContact CG-OXT 3.28Å; P668-L691 WeakPolarHBondContact CG-OXT 3.46Å; P689-L691 PolarHBondContact O-N 3Å

Retrieved 691 of 691 residues in 166.2 ms (Link to these results)

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