A0A096MK39_RAT Loading...

Heat shock transcription factor 4

AlphaFold DB , UniProt , Accession A0A096MK39, Species RAT (Rattus norvegicus, Rat), Gene Hsf4, Length 489 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
1M62.1Low52.1Low251 Ų251148.5 Ų148.5100%1.23686%0.862SS**  0131.10-72.2162.5168.200106.4
2Q43.3Very low52Low197 Ų197145.8 Ų145.892%0.92185%0.853SS**  trans-146.5122.9-176-151.2155.927.400107.3
3E47.1Very low51.7Low193 Ų193138.9 Ų138.990%0.90283%0.832SS**PPolyproline II helixtrans-77141.9-169.7-71.1158.892.300111.3
4A59Low52Low93 Ų93135.9 Ų135.977%0.76982%0.818SS**PPolyproline II helixtrans-87.5133.5170.400000109.2
5P55.1Low52.6Low125 Ų125129.4 Ų129.481%0.81278%0.781SS**PPolyproline II helixtrans-68.1139.3179.628.6-34.4000110.9A7P5-A7 PolarHBondContact O-N 3.02Å
6A50.6Low54.5Low97 Ų97128.8 Ų128.880%0.80278%0.78SS**PPolyproline II helixtrans-67.4128.9175.900000110.7L8A6-L8 PolarHBondContact O-N 3.19Å
7A49.8Very low56.5Low102 Ų102124.1 Ų124.184%0.84375%0.752SS**PPolyproline II helixtrans-70.1128.8173.400000110.2P5P5-A7 PolarHBondContact O-N 3.02Å
8L57.2Low58.5Low156 Ų156119.3 Ų119.382%0.81772%0.724SS**PPolyproline II helixtrans-69.3156.7173.9-70170.6000111A6 T10A6-L8 PolarHBondContact O-N 3.19Å; L8-T10 PolarHBondContact O-N 3.48Å
9P50.6Low60.3Low116 Ų116117.3 Ų117.375%0.75372%0.721SS**PPolyproline II helixtrans-60.9132.4177.9-20.432.8000111.4E11P9-E11 PolarHBondContact O-N 3.02Å
10T48.3Very low62.1Low142 Ų142112.1 Ų112.187%0.87169%0.688SS**PPolyproline II helixtrans-66.8122.8173.7-43.90000110.1L8L8-T10 PolarHBondContact O-N 3.48Å
11E49.5Very low63.7Low161 Ų161106.8 Ų106.875%0.75266%0.655SS**PPolyproline II helixtrans-54.4142.2173.2-79.9-68.2103.300111.6P9 G13P9-E11 PolarHBondContact O-N 3.02Å; E11-G13 PolarHBondContact O-N 3.42Å
12P51.6Low65.2Low116 Ų11696 Ų9675%0.75361%0.608SS**  trans-70.998.1175.529.8-33.1000109.8
13G48.5Very low67.7Low57 Ų5791.4 Ų91.459%0.58859%0.585SS**PPolyproline II helixtrans-51.9153.3-177.100000114.3E11 S15E11-G13 PolarHBondContact O-N 3.42Å; G13-S15 PolarHBondContact O-N 3.12Å; G13-S15 VanDerWaalsContact O-N 3.09Å
14P54.9Low70.1Confident97 Ų9782.2 Ų82.263%0.6354%0.542SS*.PPolyproline II helixtrans-54.2116.2-166.120.2-32.9000111.8E115P14-E115 WeakPolarHBondContact CB-OE1 3.48Å
15S60.7Low71.9Confident38 Ų3880.8 Ų80.827%0.26652%0.517SS..PPolyproline II helixtrans-63.8117.9-179.354.30000109.3G13 V17 R118G13-S15 PolarHBondContact O-N 3.12Å; G13-S15 VanDerWaalsContact O-N 3.09Å; S15-V17 PolarHBondContact O-N 3.21Å; S15-R118 VanDerWaalsContact OG-CZ 3.31Å; S15-R118 PolarHBondContact OG-NH1 2.93Å; S15-R118 PolarHBondContact OG-NH2 2.98Å
16P83.4Confident73.8Confident119 Ų11977.2 Ų77.277%0.77350%0.498SS*.PPolyproline II helixtrans-60.1127.6-165.821.2-33.4000111.6P18P16-P18 WeakPolarHBondContact O-CD 3.43Å
17V88.9Confident75.9Confident49 Ų4972.6 Ų72.630%0.29746%0.46SS..PPolyproline II helixtrans-55.1121.7-177.4176.10000109.6S15 A19 L21 L114 E115S15-V17 PolarHBondContact O-N 3.21Å; V17-A19 PolarHBondContact O-N 2.89Å; V17-L21 HydrophobicContact CG1-CB 3.96Å; V17-L114 HydrophobicContact CG1-CB 3.79Å; V17-L114 HydrophobicContact CG1-CD1 4.14Å; V17-L114 HydrophobicContact CG2-CB 4.08Å; V17-E115 HydrophobicContact CG2-CG 3.75Å
18P92.2Very high78.2Confident39 Ų3967.8 Ų67.825%0.25342%0.42SS..PPolyproline II helixtrans-53.4128.4179-29.233.8000112.1P16 F20 L21 Y78P16-P18 WeakPolarHBondContact O-CD 3.43Å; P18-F20 PolarHBondContact O-N 3.07Å; P18-L21 HydrophobicContact CB-CD1 4.23Å; P18-L21 HydrophobicContact CG-CD1 4.13Å; P18-L21 WeakPolarHBondContact O-CB 3.26Å; P18-L21 PolarHBondContact O-N 3.24Å; P18-Y78 HydrophobicContact CB-CE1 3.92Å; P18-Y78 WeakPolarHBondContact CB-OH 3.5Å; P18-Y78 HydrophobicContact CG-CE1 4Å
19A92.9Very high79.9Confident80 Ų8062.5 Ų62.566%0.66140%0.404SS*.Hα-helixtrans-57.9-15.4-171.500000115.8V17 K23V17-A19 PolarHBondContact O-N 2.89Å; A19-K23 WeakPolarHBondContact O-CB 3.39Å; A19-K23 VanDerWaalsContact O-CG 3.25Å; A19-K23 WeakPolarHBondContact O-CG 3.38Å; A19-K23 PolarHBondContact O-N 2.92Å
20F95.4Very high82Confident14 Ų1459.7 Ų59.76%0.06138%0.382CS..Hα-helixtrans-67.2-41.4168172.2-98.1000112.3P18 L24 F63 F71 Q74 L75 Y78P18-F20 PolarHBondContact O-N 3.07Å; F20-L24 HydrophobicContact CE1-CD2 4.03Å; F20-L24 HydrophobicContact CZ-CD2 4.29Å; F20-L24 VanDerWaalsContact O-CB 3.31Å; F20-L24 WeakPolarHBondContact O-CB 3.39Å; F20-L24 PolarHBondContact O-N 2.89Å; F20-F63 HydrophobicContact CD2-CD1 4.24Å; F20-F63 AromaticContact CD2-CE1 3.51Å; F20-F63 HydrophobicContact CD2-CE1 3.51Å; F20-F63 HydrophobicContact CD2-CZ 4.01Å; F20-F63 AromaticContact CE2-CE1 3.88Å; F20-F63 HydrophobicContact CE2-CE1 3.88Å; F20-F63 AromaticContact CE2-CZ 3.93Å; F20-F63 HydrophobicContact CE2-CZ 3.93Å; F20-F63 HydrophobicContact CG-CE1 4.49Å; F20-F71 HydrophobicContact CE2-CD2 4.21Å; F20-F71 HydrophobicContact CE2-CE2 4.39Å; F20-F71 HydrophobicContact CZ-CD2 4.45Å; F20-F71 HydrophobicContact CZ-CE2 4.38Å; F20-Q74 HydrophobicContact CD1-CB 4.4Å; F20-Q74 HydrophobicContact CD2-CB 3.88Å; F20-Q74 HydrophobicContact CD2-CG 4.19Å; F20-Q74 HydrophobicContact CE1-CB 4.01Å; F20-Q74 HydrophobicContact CE2-CB 3.44Å; F20-Q74 VanDerWaalsContact CE2-CB 3.44Å; F20-Q74 HydrophobicContact CE2-CG 4.11Å; F20-Q74 HydrophobicContact CG-CB 4.35Å; F20-Q74 HydrophobicContact CZ-CB 3.51Å; F20-L75 HydrophobicContact CE1-CD2 4.12Å; F20-L75 HydrophobicContact CZ-CD2 3.91Å; F20-L75 HydrophobicContact CZ-CG 4.29Å; F20-Y78 HydrophobicContact CB-CE2 3.94Å; F20-Y78 AromaticContact CD1-CD2 3.35Å; F20-Y78 HydrophobicContact CD1-CD2 3.35Å; F20-Y78 AromaticContact CD1-CE2 3.38Å; F20-Y78 HydrophobicContact CD1-CE2 3.38Å; F20-Y78 HydrophobicContact CD1-CG 4.32Å; F20-Y78 AromaticContact CE1-CD2 3.72Å; F20-Y78 HydrophobicContact CE1-CD2 3.72Å; F20-Y78 HydrophobicContact CE1-CE2 4.18Å; F20-Y78 HydrophobicContact CG-CD2 4.27Å; F20-Y78 AromaticContact CG-CE2 3.87Å; F20-Y78 HydrophobicContact CG-CE2 3.87Å
21L96Very high84.2Confident0 Ų057.7 Ų57.70%037%0.372CS..Hα-helixtrans-75-44.5-174.7-65.7170000112.2V17 P18 K23 L24 W25 Y78 F80 V117V17-L21 HydrophobicContact CG1-CB 3.96Å; P18-L21 HydrophobicContact CB-CD1 4.23Å; P18-L21 HydrophobicContact CG-CD1 4.13Å; P18-L21 WeakPolarHBondContact O-CB 3.26Å; P18-L21 PolarHBondContact O-N 3.24Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 3.49Å; L21-W25 WeakPolarHBondContact O-CB 3.47Å; L21-W25 PolarHBondContact O-N 3.21Å; L21-Y78 HydrophobicContact CD1-CD1 3.77Å; L21-Y78 HydrophobicContact CD1-CE1 3.87Å; L21-Y78 HydrophobicContact CD1-CG 4.43Å; L21-Y78 HydrophobicContact CD2-CD1 4.12Å; L21-Y78 HydrophobicContact CD2-CD2 4.34Å; L21-Y78 HydrophobicContact CD2-CG 3.94Å; L21-Y78 HydrophobicContact CG-CD1 4.08Å; L21-Y78 HydrophobicContact CG-CE1 4.19Å; L21-Y78 HydrophobicContact CG-CG 4.31Å; L21-F80 HydrophobicContact CD2-CE2 3.84Å; L21-F80 HydrophobicContact CD2-CZ 4.19Å; L21-V117 HydrophobicContact CD1-CB 3.71Å; L21-V117 HydrophobicContact CD1-CG1 3.78Å; L21-V117 HydrophobicContact CD2-CB 4.42Å; L21-V117 HydrophobicContact CD2-CG1 3.79Å; L21-V117 HydrophobicContact CG-CG1 4.46Å
22G94.6Very high86.3Confident24 Ų2452.4 Ų52.425%0.24736%0.36CS..Hα-helixtrans-60-41173.100000111.7W25 A26G22-W25 PolarHBondContact O-N 2.88Å; G22-A26 WeakPolarHBondContact O-CB 3.35Å; G22-A26 PolarHBondContact O-N 3.4Å
23K95.4Very high88.4Confident101 Ų10147.5 Ų47.544%0.43933%0.328SS..Hα-helixtrans-65.6-39.3173.2-76.7-175.4161.7-155.30113.6A19 L21 L27 Y62 F63A19-K23 WeakPolarHBondContact O-CB 3.39Å; A19-K23 VanDerWaalsContact O-CG 3.25Å; A19-K23 WeakPolarHBondContact O-CG 3.38Å; A19-K23 PolarHBondContact O-N 2.92Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.36Å; K23-L27 WeakPolarHBondContact O-CB 3.3Å; K23-L27 PolarHBondContact O-N 2.93Å; K23-Y62 WeakPolarHBondContact CD-O 3.36Å; K23-Y62 PolarHBondContact NZ-O 2.96Å; K23-F63 HydrophobicContact CB-CE1 3.93Å; K23-F63 HydrophobicContact CB-CZ 4.07Å; K23-F63 HydrophobicContact CD-CE1 4.34Å
24L97.1Very high90.6Very high0 Ų048.2 Ų48.20%032%0.318CS..Hα-helixtrans-66.1-41.8175.6178.265.8000111.3F20 L21 L27 V28 F46 F71 L75 F80 F106F20-L24 HydrophobicContact CE1-CD2 4.03Å; F20-L24 HydrophobicContact CZ-CD2 4.29Å; F20-L24 VanDerWaalsContact O-CB 3.31Å; F20-L24 WeakPolarHBondContact O-CB 3.39Å; F20-L24 PolarHBondContact O-N 2.89Å; L21-L24 PolarHBondContact O-N 3.49Å; L24-L27 PolarHBondContact O-N 3.32Å; L24-V28 HydrophobicContact CD1-CG2 4.05Å; L24-V28 HydrophobicContact CG-CG2 4.46Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 2.85Å; L24-F46 HydrophobicContact CD1-CE1 4.42Å; L24-F46 HydrophobicContact CD1-CE2 4.44Å; L24-F46 HydrophobicContact CD1-CZ 4.04Å; L24-F46 HydrophobicContact CD2-CE1 4.26Å; L24-F46 HydrophobicContact CD2-CZ 4.41Å; L24-F71 HydrophobicContact CD1-CE2 3.8Å; L24-F71 HydrophobicContact CD1-CZ 3.67Å; L24-L75 HydrophobicContact CD1-CD2 4.42Å; L24-L75 HydrophobicContact CD2-CD2 3.56Å; L24-F80 HydrophobicContact CD2-CE1 4.13Å; L24-F80 HydrophobicContact CD2-CE2 4.21Å; L24-F80 HydrophobicContact CD2-CZ 3.69Å; L24-F106 HydrophobicContact CB-CE2 4.47Å; L24-F106 HydrophobicContact CD2-CE2 3.94Å; L24-F106 HydrophobicContact CD2-CZ 3.98Å; L24-F106 HydrophobicContact CG-CE2 4Å; L24-F106 HydrophobicContact CG-CZ 3.74Å
25W96.4Very high92.4Very high63 Ų6348.6 Ų48.624%0.23931%0.311CS..Hα-helixtrans-66.3-47.8178.6-171.292000111.6L21 G22 L27 V28 G29 W39 F106 E111 L114L21-W25 WeakPolarHBondContact O-CB 3.47Å; L21-W25 PolarHBondContact O-N 3.21Å; G22-W25 PolarHBondContact O-N 2.88Å; W25-L27 VanDerWaalsContact C-N 3.3Å; W25-L27 PolarHBondContact O-N 2.91Å; W25-V28 PolarHBondContact O-N 3.44Å; W25-G29 PolarHBondContact O-N 3.15Å; W25-W39 AromaticContact CD1-CZ2 3.96Å; W25-F106 HydrophobicContact CB-CE2 3.99Å; W25-F106 HydrophobicContact CB-CZ 4.23Å; W25-E111 HydrophobicContact CD2-CB 4.46Å; W25-E111 HydrophobicContact CD2-CG 4.13Å; W25-E111 HydrophobicContact CE3-CG 4.32Å; W25-E111 HydrophobicContact CH2-CB 4.32Å; W25-E111 HydrophobicContact CZ2-CB 3.91Å; W25-E111 HydrophobicContact CZ2-CG 4.39Å; W25-L114 HydrophobicContact CB-CD1 3.79Å; W25-L114 HydrophobicContact CB-CD2 4.5Å; W25-L114 HydrophobicContact CG-CD1 3.94Å
26A95Very high94.1Very high51 Ų5146.9 Ų46.942%0.42130%0.299SS..Hα-helixtrans-61.9-36.3174.300000112.6G22 D30G22-A26 WeakPolarHBondContact O-CB 3.35Å; G22-A26 PolarHBondContact O-N 3.4Å; A26-D30 PolarHBondContact O-N 3.06Å
27L96.4Very high94.7Very high0 Ų041.2 Ų41.20%026%0.262CS..Hα-helixtrans-64.8-54.3175.2170.658.9000112K23 L24 W25 G29 D30 T33 I37 F54 V58 Y62 F63K23-L27 WeakPolarHBondContact O-CB 3.3Å; K23-L27 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 3.32Å; W25-L27 VanDerWaalsContact C-N 3.3Å; W25-L27 PolarHBondContact O-N 2.91Å; L27-G29 PolarHBondContact O-N 3.25Å; L27-D30 PolarHBondContact O-N 3Å; L27-D30 VanDerWaalsContact O-N 3.09Å; L27-T33 HydrophobicContact CD1-CG2 3.93Å; L27-T33 PolarHBondContact O-OG1 3.3Å; L27-I37 HydrophobicContact CD1-CG2 3.75Å; L27-I37 HydrophobicContact CD2-CD1 4.11Å; L27-I37 HydrophobicContact CD2-CG2 4.43Å; L27-I37 HydrophobicContact CG-CD1 4.27Å; L27-I37 HydrophobicContact CG-CG2 3.89Å; L27-F54 HydrophobicContact CD2-CE2 4.21Å; L27-F54 HydrophobicContact CD2-CZ 4.36Å; L27-V58 HydrophobicContact CD1-CG1 3.43Å; L27-V58 VanDerWaalsContact CD1-CG1 3.43Å; L27-V58 HydrophobicContact CD2-CG1 4.33Å; L27-Y62 HydrophobicContact CB-CD1 3.83Å; L27-Y62 HydrophobicContact CB-CE1 3.78Å; L27-Y62 HydrophobicContact CB-CG 4.36Å; L27-Y62 HydrophobicContact CD1-CD1 4.33Å; L27-Y62 HydrophobicContact CD1-CD2 3.88Å; L27-Y62 HydrophobicContact CD1-CE1 4.02Å; L27-Y62 HydrophobicContact CD1-CE2 3.57Å; L27-Y62 HydrophobicContact CD1-CG 4.28Å; L27-Y62 HydrophobicContact CD2-CG 4.46Å; L27-Y62 HydrophobicContact CG-CE1 4.47Å; L27-F63 HydrophobicContact CD2-CE2 4.17Å
28V96.8Very high95Very high1 Ų144 Ų441%0.00627%0.268CS..Hα-helixtrans-66.4-22.3-178.7-177.30000111.5L24 W25 I37 W39 F46 F106L24-V28 HydrophobicContact CD1-CG2 4.05Å; L24-V28 HydrophobicContact CG-CG2 4.46Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 2.85Å; W25-V28 PolarHBondContact O-N 3.44Å; V28-I37 HydrophobicContact CG2-CD1 3.73Å; V28-I37 HydrophobicContact CG2-CG1 3.97Å; V28-W39 HydrophobicContact CB-CZ2 4.29Å; V28-W39 HydrophobicContact CG1-CB 4.48Å; V28-W39 HydrophobicContact CG1-CD2 3.55Å; V28-W39 HydrophobicContact CG1-CE3 4.11Å; V28-W39 HydrophobicContact CG1-CG 3.73Å; V28-W39 HydrophobicContact CG1-CZ2 4.07Å; V28-W39 PolarHBondContact O-NE1 2.88Å; V28-F46 HydrophobicContact CG1-CB 3.5Å; V28-F46 HydrophobicContact CG1-CG 4.27Å; V28-F46 HydrophobicContact CG2-CB 4.07Å; V28-F46 HydrophobicContact CG2-CD1 4.36Å; V28-F46 HydrophobicContact CG2-CD2 4.11Å; V28-F46 HydrophobicContact CG2-CG 3.94Å; V28-F106 HydrophobicContact CG2-CE1 4.49Å; V28-F106 HydrophobicContact CG2-CZ 4.44Å
29G94.3Very high95.3Very high45 Ų4543.1 Ų43.146%0.46426%0.259SS..THydrogen-bonded Turntrans-86.5-3.1173.500000116.2W25 L27 P31W25-G29 PolarHBondContact O-N 3.15Å; L27-G29 PolarHBondContact O-N 3.25Å; G29-P31 WeakPolarHBondContact O-CD 3.39Å
30D94.7Very high95.4Very high57 Ų5739.5 Ų39.531%0.30523%0.229SC..  trans-89.1111.2-178.9-176.1-8.3000111.4A26 L27 G32 T33 D34 Y62A26-D30 PolarHBondContact O-N 3.06Å; L27-D30 PolarHBondContact O-N 3Å; L27-D30 VanDerWaalsContact O-N 3.09Å; D30-G32 PolarHBondContact O-N 3.25Å; D30-G32 VanDerWaalsContact O-N 3.15Å; D30-G32 PolarHBondContact OD1-N 3.47Å; D30-T33 HydrophobicContact CB-CG2 4.26Å; D30-T33 PolarHBondContact O-N 3.26Å; D30-T33 PolarHBondContact O-OG1 3.35Å; D30-D34 PolarHBondContact O-N 2.81Å; D30-Y62 PolarHBondContact OD2-OH 3.33Å
31P94.4Very high95.3Very high100 Ų10044.2 Ų44.265%0.64926%0.261SS*.THydrogen-bonded Turntrans-65.2-15.8179.729.3-36.3000113.5G29 T33G29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-T33 PolarHBondContact O-N 3.5Å
32G93.5Very high95.2Very high49 Ų4947.8 Ų47.851%0.50529%0.286SS..THydrogen-bonded Turntrans-64.3-26.7168.200000112.7D30 H35D30-G32 PolarHBondContact O-N 3.25Å; D30-G32 VanDerWaalsContact O-N 3.15Å; D30-G32 PolarHBondContact OD1-N 3.47Å; G32-H35 PolarHBondContact O-CE1 3.15Å; G32-H35 PolarHBondContact O-ND1 2.94Å; G32-H35 VanDerWaalsContact O-ND1 3.13Å
33T94.6Very high95.2Very high13 Ų1346.7 Ų46.78%0.0828%0.275CS..THydrogen-bonded Turntrans-102.8-6.1-177.174.80000114.7L27 D30 P31 H35 L36 I37 V58L27-T33 HydrophobicContact CD1-CG2 3.93Å; L27-T33 PolarHBondContact O-OG1 3.3Å; D30-T33 HydrophobicContact CB-CG2 4.26Å; D30-T33 PolarHBondContact O-N 3.26Å; D30-T33 PolarHBondContact O-OG1 3.35Å; P31-T33 PolarHBondContact O-N 3.5Å; T33-H35 PolarHBondContact O-N 3.48Å; T33-L36 PolarHBondContact O-N 2.92Å; T33-I37 CarbonylContact C-O 3.55Å; T33-I37 PolarHBondContact O-N 3.38Å; T33-I37 VanDerWaalsContact O-O 3.11Å; T33-V58 HydrophobicContact CG2-CG1 4.37Å
34D94.3Very high95.2Very high73 Ų7344.6 Ų44.639%0.3927%0.271SS..THydrogen-bonded Turntrans-49.8-26.4-177.3-104.3-28.8000114.3D30 L36 I37 R38D30-D34 PolarHBondContact O-N 2.81Å; D34-L36 VanDerWaalsContact C-N 3.31Å; D34-L36 PolarHBondContact O-N 3.31Å; D34-I37 VanDerWaalsContact CA-O 3.31Å; D34-I37 WeakPolarHBondContact CA-O 3.34Å; D34-R38 HydrophobicContact CB-CB 4.45Å; D34-R38 WeakPolarHBondContact O-CD 3.32Å; D34-R38 WeakPolarHBondContact OD1-CB 3.45Å
35H93.9Very high95.2Very high104 Ų10444.7 Ų44.748%0.48127%0.271SS..THydrogen-bonded Turntrans-75.7-13.4178.972.4-82.2000114.5G32 T33 R53G32-H35 PolarHBondContact O-CE1 3.15Å; G32-H35 PolarHBondContact O-ND1 2.94Å; G32-H35 VanDerWaalsContact O-ND1 3.13Å; T33-H35 PolarHBondContact O-N 3.48Å; H35-R53 PolarHBondContact NE2-NH2 3.24Å; H35-R53 VanDerWaalsContact NE2-NH2 3.16Å
36L95.3Very high95.2Very high2 Ų241.7 Ų41.71%0.0126%0.26CS..THydrogen-bonded Turntrans-126.3-35177.9-72170.7000112.6T33 D34 V48 S49 D50 R53 F54 V58T33-L36 PolarHBondContact O-N 2.92Å; D34-L36 VanDerWaalsContact C-N 3.31Å; D34-L36 PolarHBondContact O-N 3.31Å; L36-V48 CarbonylContact O-C 3.53Å; L36-V48 WeakPolarHBondContact O-CA 3.48Å; L36-S49 PolarHBondContact O-N 3.39Å; L36-D50 HydrophobicContact CD2-CB 4.09Å; L36-R53 HydrophobicContact CD1-CG 4.18Å; L36-R53 HydrophobicContact CD2-CB 3.96Å; L36-R53 HydrophobicContact CD2-CG 4.06Å; L36-F54 HydrophobicContact CB-CB 4.34Å; L36-F54 HydrophobicContact CB-CD2 4.41Å; L36-V58 HydrophobicContact CB-CG2 4.31Å; L36-V58 HydrophobicContact CD1-CG2 3.64Å
37I96.9Very high95.3Very high0 Ų039.8 Ų39.80%024%0.242CC..EExtended strand (participates in β ladder)trans-141.6129.4174.5-173.2169.1000110.4L27 V28 T33 D34 F46 L47 V48 F54 F71L27-I37 HydrophobicContact CD1-CG2 3.75Å; L27-I37 HydrophobicContact CD2-CD1 4.11Å; L27-I37 HydrophobicContact CD2-CG2 4.43Å; L27-I37 HydrophobicContact CG-CD1 4.27Å; L27-I37 HydrophobicContact CG-CG2 3.89Å; V28-I37 HydrophobicContact CG2-CD1 3.73Å; V28-I37 HydrophobicContact CG2-CG1 3.97Å; T33-I37 CarbonylContact C-O 3.55Å; T33-I37 PolarHBondContact O-N 3.38Å; T33-I37 VanDerWaalsContact O-O 3.11Å; D34-I37 VanDerWaalsContact CA-O 3.31Å; D34-I37 WeakPolarHBondContact CA-O 3.34Å; I37-F46 HydrophobicContact CD1-CD2 3.89Å; I37-F46 HydrophobicContact CD1-CE2 3.98Å; I37-F46 HydrophobicContact CG1-CD2 4.05Å; I37-L47 WeakPolarHBondContact CA-O 3.35Å; I37-V48 HydrophobicContact CD1-CG2 4.02Å; I37-V48 HydrophobicContact CG1-CG2 4.14Å; I37-F54 HydrophobicContact CB-CD2 4.11Å; I37-F54 HydrophobicContact CB-CE2 3.85Å; I37-F54 HydrophobicContact CD1-CE2 3.82Å; I37-F54 HydrophobicContact CD1-CZ 3.95Å; I37-F54 HydrophobicContact CG1-CE2 4.42Å; I37-F54 HydrophobicContact CG2-CD2 4.2Å; I37-F54 HydrophobicContact CG2-CE2 3.81Å; I37-F71 HydrophobicContact CD1-CZ 4.32Å
38R96.1Very high95.2Very high108 Ų10839.8 Ų39.841%0.40824%0.242SC..EExtended strand (participates in β ladder)trans-152.3157.2-174.466.8-165.5-155.397.9-2.8113.6D34 F46 L47D34-R38 HydrophobicContact CB-CB 4.45Å; D34-R38 WeakPolarHBondContact O-CD 3.32Å; D34-R38 WeakPolarHBondContact OD1-CB 3.45Å; R38-F46 CarbonylContact O-C 3.58Å; R38-F46 VanDerWaalsContact O-CA 3.24Å; R38-F46 WeakPolarHBondContact O-CA 3.47Å; R38-F46 WeakPolarHBondContact O-CB 3.27Å; R38-L47 HydrophobicContact CG-CD1 4.44Å; R38-L47 PolarHBondContact N-O 3.46Å; R38-L47 PolarHBondContact O-N 3.46Å
39W97.2Very high95.1Very high21 Ų2141.2 Ų41.28%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-62.3146.7167.4-68.3101.7000111.7W25 V28 F106 R108W25-W39 AromaticContact CD1-CZ2 3.96Å; V28-W39 HydrophobicContact CB-CZ2 4.29Å; V28-W39 HydrophobicContact CG1-CB 4.48Å; V28-W39 HydrophobicContact CG1-CD2 3.55Å; V28-W39 HydrophobicContact CG1-CE3 4.11Å; V28-W39 HydrophobicContact CG1-CG 3.73Å; V28-W39 HydrophobicContact CG1-CZ2 4.07Å; V28-W39 PolarHBondContact O-NE1 2.88Å; W39-F106 AromaticContact CH2-CD1 3.62Å; W39-F106 HydrophobicContact CH2-CD1 3.62Å; W39-F106 AromaticContact CH2-CE1 3.25Å; W39-F106 HydrophobicContact CH2-CE1 3.25Å; W39-F106 HydrophobicContact CH2-CG 4.46Å; W39-F106 AromaticContact CH2-CZ 3.84Å; W39-F106 HydrophobicContact CH2-CZ 3.84Å; W39-F106 HydrophobicContact CZ2-CE1 4.07Å; W39-F106 HydrophobicContact CZ2-CZ 4.36Å; W39-F106 AromaticContact CZ3-CD1 3.68Å; W39-F106 HydrophobicContact CZ3-CD1 3.68Å; W39-F106 AromaticContact CZ3-CE1 3.58Å; W39-F106 HydrophobicContact CZ3-CE1 3.58Å; W39-R108 HydrophobicContact CD2-CB 3.65Å; W39-R108 HydrophobicContact CD2-CG 4.03Å; W39-R108 HydrophobicContact CE3-CB 3.82Å; W39-R108 HydrophobicContact CG-CB 4.07Å; W39-R108 HydrophobicContact CG-CG 4.02Å; W39-R108 HydrophobicContact CH2-CB 4.43Å; W39-R108 HydrophobicContact CZ2-CB 4.3Å; W39-R108 HydrophobicContact CZ3-CB 4.2Å
40S94.9Very high95Very high4 Ų442.7 Ų42.73%0.02825%0.25CC..  trans-67163.3166.362.30000111.6S42 G43 S45 R108S40-S42 VanDerWaalsContact C-N 3.26Å; S40-S42 PolarHBondContact O-N 3.24Å; S40-S42 PolarHBondContact OG-OG 2.96Å; S40-S42 VanDerWaalsContact OG-OG 3.09Å; S40-G43 PolarHBondContact O-N 2.82Å; S40-G43 PolarHBondContact OG-N 3.49Å; S40-S45 WeakPolarHBondContact CB-OG 3.45Å; S40-S45 PolarHBondContact N-O 2.88Å; S40-S45 PolarHBondContact OG-N 3.26Å; S40-S45 PolarHBondContact OG-O 3.24Å; S40-S45 VanDerWaalsContact OG-O 3.05Å; S40-S45 PolarHBondContact OG-OG 3.41Å; S40-R108 PolarHBondContact O-NH1 3.35Å
41P93.5Very high95Very high112 Ų11243.9 Ų43.973%0.72725%0.254SS*.THydrogen-bonded Turntrans-54.5-42.5177.6-27.436.3000112.7G43 R108P41-G43 VanDerWaalsContact C-N 3.28Å; P41-G43 PolarHBondContact O-N 2.94Å; P41-R108 PolarHBondContact O-NH2 3.24Å
42S94Very high94.9Very high76 Ų7643 Ų4353%0.53125%0.25SS..THydrogen-bonded Turntrans-68-2117557.40000114.2S40 T44S40-S42 VanDerWaalsContact C-N 3.26Å; S40-S42 PolarHBondContact O-N 3.24Å; S40-S42 PolarHBondContact OG-OG 2.96Å; S40-S42 VanDerWaalsContact OG-OG 3.09Å; S42-T44 PolarHBondContact O-N 3.42Å; S42-T44 PolarHBondContact OG-N 3.48Å; S42-T44 PolarHBondContact OG-OG1 3.24Å
43G95.1Very high95Very high1 Ų145.2 Ų45.21%0.0124%0.243CC..SBendtrans70.68.7-17400000114.6S40 P41 V107 R108S40-G43 PolarHBondContact O-N 2.82Å; S40-G43 PolarHBondContact OG-N 3.49Å; P41-G43 VanDerWaalsContact C-N 3.28Å; P41-G43 PolarHBondContact O-N 2.94Å; G43-V107 WeakPolarHBondContact O-CA 3.39Å; G43-R108 PolarHBondContact O-N 3.35Å
44T95.5Very high95.1Very high57 Ų5744.6 Ų44.635%0.3524%0.239SC..SBendtrans-95.75.8-179.456.40000113.5S42 Q102S42-T44 PolarHBondContact O-N 3.42Å; S42-T44 PolarHBondContact OG-N 3.48Å; S42-T44 PolarHBondContact OG-OG1 3.24Å; T44-Q102 WeakPolarHBondContact O-CG 3.28Å; T44-Q102 PolarHBondContact O-NE2 3.3Å
45S96.5Very high95.2Very high1 Ų141.6 Ų41.61%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-162.8171.1-177.449.60000109.6S40 E100 F101S40-S45 WeakPolarHBondContact CB-OG 3.45Å; S40-S45 PolarHBondContact N-O 2.88Å; S40-S45 PolarHBondContact OG-N 3.26Å; S40-S45 PolarHBondContact OG-O 3.24Å; S40-S45 VanDerWaalsContact OG-O 3.05Å; S40-S45 PolarHBondContact OG-OG 3.41Å; S45-E100 WeakPolarHBondContact CB-OE1 3.34Å; S45-E100 PolarHBondContact OG-OE1 3.49Å; S45-F101 WeakPolarHBondContact CA-O 3.35Å; S45-F101 VanDerWaalsContact CB-O 3.31Å; S45-F101 WeakPolarHBondContact CB-O 3.3Å
46F97.1Very high95.3Very high0 Ų044.2 Ų44.20%023%0.234CC..EExtended strand (participates in β ladder)trans-134.1149.2173.870.1-92.7000111.4L24 V28 I37 R38 V48 F71 L75 F80 E100 F101 F106L24-F46 HydrophobicContact CD1-CE1 4.42Å; L24-F46 HydrophobicContact CD1-CE2 4.44Å; L24-F46 HydrophobicContact CD1-CZ 4.04Å; L24-F46 HydrophobicContact CD2-CE1 4.26Å; L24-F46 HydrophobicContact CD2-CZ 4.41Å; V28-F46 HydrophobicContact CG1-CB 3.5Å; V28-F46 HydrophobicContact CG1-CG 4.27Å; V28-F46 HydrophobicContact CG2-CB 4.07Å; V28-F46 HydrophobicContact CG2-CD1 4.36Å; V28-F46 HydrophobicContact CG2-CD2 4.11Å; V28-F46 HydrophobicContact CG2-CG 3.94Å; I37-F46 HydrophobicContact CD1-CD2 3.89Å; I37-F46 HydrophobicContact CD1-CE2 3.98Å; I37-F46 HydrophobicContact CG1-CD2 4.05Å; R38-F46 CarbonylContact O-C 3.58Å; R38-F46 VanDerWaalsContact O-CA 3.24Å; R38-F46 WeakPolarHBondContact O-CA 3.47Å; R38-F46 WeakPolarHBondContact O-CB 3.27Å; F46-V48 HydrophobicContact CD2-CG2 4.14Å; F46-V48 HydrophobicContact CE2-CG2 3.93Å; F46-F71 HydrophobicContact CE2-CE1 4.47Å; F46-F71 HydrophobicContact CE2-CZ 4.35Å; F46-L75 HydrophobicContact CE1-CD2 4.32Å; F46-L75 HydrophobicContact CE2-CD1 4.49Å; F46-L75 HydrophobicContact CZ-CD1 3.87Å; F46-L75 HydrophobicContact CZ-CD2 3.8Å; F46-F80 AromaticContact CE1-CD1 3.92Å; F46-F80 HydrophobicContact CE1-CD1 3.92Å; F46-F80 AromaticContact CE1-CE1 3.78Å; F46-F80 HydrophobicContact CE1-CE1 3.78Å; F46-E100 CarbonylContact O-C 3.58Å; F46-E100 WeakPolarHBondContact O-CA 3.4Å; F46-F101 HydrophobicContact CD1-CB 4.31Å; F46-F101 HydrophobicContact CD2-CB 4.5Å; F46-F101 HydrophobicContact CE1-CB 3.76Å; F46-F101 HydrophobicContact CE2-CB 3.98Å; F46-F101 AromaticContact CE2-CD2 3.88Å; F46-F101 HydrophobicContact CE2-CD2 3.88Å; F46-F101 HydrophobicContact CE2-CG 4.31Å; F46-F101 HydrophobicContact CZ-CB 3.58Å; F46-F101 HydrophobicContact CZ-CD2 4.13Å; F46-F101 HydrophobicContact CZ-CG 4.13Å; F46-F101 PolarHBondContact N-O 3.12Å; F46-F101 PolarHBondContact O-N 2.87Å; F46-F106 HydrophobicContact CD1-CD1 4.13Å; F46-F106 AromaticContact CD1-CE1 3.75Å; F46-F106 HydrophobicContact CD1-CE1 3.75Å; F46-F106 HydrophobicContact CE1-CD1 4.49Å; F46-F106 HydrophobicContact CE1-CE1 4.18Å
47L95.8Very high95.3Very high11 Ų1148.2 Ų48.26%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-111.6137.8-178.9-53.6100.2000109.8I37 R38 H98 E100I37-L47 WeakPolarHBondContact CA-O 3.35Å; R38-L47 HydrophobicContact CG-CD1 4.44Å; R38-L47 PolarHBondContact N-O 3.46Å; R38-L47 PolarHBondContact O-N 3.46Å; L47-H98 HydrophobicContact CB-CB 4.4Å; L47-H98 HydrophobicContact CD2-CB 4.49Å; L47-H98 VanDerWaalsContact CD2-CD2 3.45Å; L47-H98 WeakPolarHBondContact CD2-CD2 3.29Å; L47-E100 HydrophobicContact CD2-CB 4.27Å; L47-E100 HydrophobicContact CG-CB 4.2Å; L47-E100 HydrophobicContact CG-CG 4.28Å
48V96.1Very high95.2Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-110.1107.8170.6-175.10000108.6L36 I37 F46 Q51 F54 M68 F71 H98 V99 F101L36-V48 CarbonylContact O-C 3.53Å; L36-V48 WeakPolarHBondContact O-CA 3.48Å; I37-V48 HydrophobicContact CD1-CG2 4.02Å; I37-V48 HydrophobicContact CG1-CG2 4.14Å; F46-V48 HydrophobicContact CD2-CG2 4.14Å; F46-V48 HydrophobicContact CE2-CG2 3.93Å; V48-Q51 HydrophobicContact CG1-CG 4.42Å; V48-F54 HydrophobicContact CG1-CB 3.98Å; V48-F54 HydrophobicContact CG1-CD1 3.52Å; V48-F54 HydrophobicContact CG1-CD2 4.2Å; V48-F54 HydrophobicContact CG1-CE1 4.02Å; V48-F54 HydrophobicContact CG1-CG 3.63Å; V48-M68 HydrophobicContact CB-CE 4.48Å; V48-M68 HydrophobicContact CG1-CE 4.1Å; V48-F71 HydrophobicContact CG2-CE1 4.47Å; V48-H98 CarbonylContact O-C 3.59Å; V48-H98 VanDerWaalsContact O-CA 3.29Å; V48-H98 WeakPolarHBondContact O-CA 3.47Å; V48-V99 PolarHBondContact N-O 3.08Å; V48-V99 PolarHBondContact O-N 2.86Å; V48-F101 HydrophobicContact CG2-CD2 4.35Å; V48-F101 HydrophobicContact CG2-CE2 4.37Å
49S93.7Very high95.3Very high31 Ų3143.4 Ų43.422%0.21724%0.236CC..EExtended strand (participates in β ladder)trans-87.7145.4173.2-56.60000109.9L36L36-S49 PolarHBondContact O-N 3.39Å
50D92.3Very high95.2Very high76 Ų7645.6 Ų45.641%0.40625%0.252SS..  trans41.675-177.5-172.7-9.1000112.7L36 S52 R53 F54L36-D50 HydrophobicContact CD2-CB 4.09Å; D50-S52 PolarHBondContact O-N 3.2Å; D50-S52 WeakPolarHBondContact OD1-CB 3.47Å; D50-S52 PolarHBondContact OD1-N 3.14Å; D50-S52 VanDerWaalsContact OD1-N 3.14Å; D50-R53 HydrophobicContact CB-CB 4.12Å; D50-R53 PolarHBondContact O-N 3.4Å; D50-R53 PolarHBondContact OD1-N 2.62Å; D50-R53 WeakPolarHBondContact OD2-CB 3.37Å; D50-F54 WeakPolarHBondContact O-CB 3.37Å; D50-F54 PolarHBondContact O-N 2.87Å
51Q93.8Very high95.2Very high83 Ų8352.4 Ų52.439%0.38828%0.284SS..Hα-helixtrans-53.7-29.1179.3-60.517883.100112.9V48 A55 M68 V99V48-Q51 HydrophobicContact CG1-CG 4.42Å; Q51-A55 WeakPolarHBondContact O-CB 3.42Å; Q51-A55 PolarHBondContact O-N 2.79Å; Q51-A55 VanDerWaalsContact O-N 3.12Å; Q51-M68 HydrophobicContact CB-CE 4.46Å; Q51-M68 HydrophobicContact CB-CG 4.46Å; Q51-M68 HydrophobicContact CG-CE 4.09Å; Q51-V99 HydrophobicContact CG-CG2 4.28Å
52S93.9Very high95.2Very high82 Ų8249.2 Ų49.257%0.57326%0.258SS*.Hα-helixtrans-72.8-39.3-179.9-650000112D50 K56D50-S52 PolarHBondContact O-N 3.2Å; D50-S52 WeakPolarHBondContact OD1-CB 3.47Å; D50-S52 PolarHBondContact OD1-N 3.14Å; D50-S52 VanDerWaalsContact OD1-N 3.14Å; S52-K56 WeakPolarHBondContact O-CG 3.45Å
53R94.9Very high95.3Very high95 Ų9546.7 Ų46.736%0.35824%0.237SC..Hα-helixtrans-80.7-43.2178.8-170172.6170-120.9-31.2111.9H35 L36 D50 A55 K56 E57H35-R53 PolarHBondContact NE2-NH2 3.24Å; H35-R53 VanDerWaalsContact NE2-NH2 3.16Å; L36-R53 HydrophobicContact CD1-CG 4.18Å; L36-R53 HydrophobicContact CD2-CB 3.96Å; L36-R53 HydrophobicContact CD2-CG 4.06Å; D50-R53 HydrophobicContact CB-CB 4.12Å; D50-R53 PolarHBondContact O-N 3.4Å; D50-R53 PolarHBondContact OD1-N 2.62Å; D50-R53 WeakPolarHBondContact OD2-CB 3.37Å; R53-A55 VanDerWaalsContact C-N 3.26Å; R53-A55 PolarHBondContact O-N 2.64Å; R53-K56 PolarHBondContact O-N 3.09Å; R53-K56 VanDerWaalsContact O-N 3.09Å; R53-E57 WeakPolarHBondContact CD-OE1 3.3Å; R53-E57 VanDerWaalsContact CG-CD 3.49Å; R53-E57 HydrophobicContact CG-CG 4.24Å; R53-E57 WeakPolarHBondContact CG-OE1 3.46Å; R53-E57 IonicContact CZ-OE1 3.94Å; R53-E57 IonicContact CZ-OE2 3.84Å; R53-E57 VanDerWaalsContact CZ-OE2 3.28Å; R53-E57 VanDerWaalsContact NE-CD 3.27Å; R53-E57 IonicContact NE-OE1 2.81Å; R53-E57 PolarHBondContact NE-OE1 2.96Å; R53-E57 IonicContact NE-OE2 2.71Å; R53-E57 PolarHBondContact NE-OE2 3.48Å; R53-E57 VanDerWaalsContact NE-OE2 3.08Å; R53-E57 IonicContact NH2-OE1 3.78Å; R53-E57 IonicContact NH2-OE2 2.68Å; R53-E57 PolarHBondContact NH2-OE2 3.31Å; R53-E57 PolarHBondContact O-N 2.88Å
54F96.2Very high95.3Very high0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-50.9-45.3169.4170.8-105.6000112.2L27 L36 I37 V48 D50 K56 V58 L59 M68 F71L27-F54 HydrophobicContact CD2-CE2 4.21Å; L27-F54 HydrophobicContact CD2-CZ 4.36Å; L36-F54 HydrophobicContact CB-CB 4.34Å; L36-F54 HydrophobicContact CB-CD2 4.41Å; I37-F54 HydrophobicContact CB-CD2 4.11Å; I37-F54 HydrophobicContact CB-CE2 3.85Å; I37-F54 HydrophobicContact CD1-CE2 3.82Å; I37-F54 HydrophobicContact CD1-CZ 3.95Å; I37-F54 HydrophobicContact CG1-CE2 4.42Å; I37-F54 HydrophobicContact CG2-CD2 4.2Å; I37-F54 HydrophobicContact CG2-CE2 3.81Å; V48-F54 HydrophobicContact CG1-CB 3.98Å; V48-F54 HydrophobicContact CG1-CD1 3.52Å; V48-F54 HydrophobicContact CG1-CD2 4.2Å; V48-F54 HydrophobicContact CG1-CE1 4.02Å; V48-F54 HydrophobicContact CG1-CG 3.63Å; D50-F54 WeakPolarHBondContact O-CB 3.37Å; D50-F54 PolarHBondContact O-N 2.87Å; F54-K56 VanDerWaalsContact C-N 3.32Å; F54-K56 PolarHBondContact O-N 3.42Å; F54-V58 HydrophobicContact CD2-CB 3.77Å; F54-V58 HydrophobicContact CD2-CG1 4.02Å; F54-V58 HydrophobicContact CD2-CG2 4.09Å; F54-V58 HydrophobicContact CE2-CB 4.01Å; F54-V58 HydrophobicContact CE2-CG1 3.8Å; F54-V58 WeakPolarHBondContact O-CB 3.25Å; F54-V58 PolarHBondContact O-N 3.39Å; F54-L59 HydrophobicContact CD1-CD2 4.47Å; F54-L59 HydrophobicContact CD1-CG 4.22Å; F54-L59 HydrophobicContact CE1-CD1 4.21Å; F54-L59 HydrophobicContact CE1-CD2 3.56Å; F54-L59 HydrophobicContact CE1-CG 3.79Å; F54-L59 HydrophobicContact CE2-CD2 4.42Å; F54-L59 HydrophobicContact CZ-CD2 3.53Å; F54-L59 HydrophobicContact CZ-CG 4.09Å; F54-L59 PolarHBondContact O-N 2.93Å; F54-L59 VanDerWaalsContact O-N 3.15Å; F54-M68 HydrophobicContact CD1-CE 4.47Å; F54-M68 HydrophobicContact CD1-SD 3.82Å; F54-M68 HydrophobicContact CE1-CE 4.46Å; F54-M68 HydrophobicContact CE1-SD 3.79Å; F54-F71 AromaticContact CE1-CD1 3.9Å; F54-F71 HydrophobicContact CE1-CD1 3.9Å; F54-F71 AromaticContact CE1-CE1 3.84Å; F54-F71 HydrophobicContact CE1-CE1 3.84Å; F54-F71 HydrophobicContact CE1-CG 4.37Å; F54-F71 HydrophobicContact CE1-CZ 4.27Å; F54-F71 HydrophobicContact CZ-CD1 4.35Å; F54-F71 AromaticContact CZ-CE1 3.94Å; F54-F71 HydrophobicContact CZ-CE1 3.94Å; F54-F71 HydrophobicContact CZ-CE2 4.28Å; F54-F71 AromaticContact CZ-CZ 3.91Å; F54-F71 HydrophobicContact CZ-CZ 3.91Å
55A96.4Very high95.3Very high10 Ų1057.1 Ų57.18%0.08328%0.278CS..Hα-helixtrans-65.6-31-179.600000114.1Q51 R53 L59 S66 M68Q51-A55 WeakPolarHBondContact O-CB 3.42Å; Q51-A55 PolarHBondContact O-N 2.79Å; Q51-A55 VanDerWaalsContact O-N 3.12Å; R53-A55 VanDerWaalsContact C-N 3.26Å; R53-A55 PolarHBondContact O-N 2.64Å; A55-L59 HydrophobicContact CB-CD1 4.18Å; A55-S66 WeakPolarHBondContact CB-O 3.34Å; A55-S66 CarbonylContact O-C 3.59Å; A55-S66 VanDerWaalsContact O-CA 3.26Å; A55-S66 WeakPolarHBondContact O-CA 3.37Å; A55-S66 WeakPolarHBondContact O-CB 3.32Å; A55-S66 VanDerWaalsContact O-O 3.06Å; A55-M68 HydrophobicContact CB-CB 4.17Å
56K95.7Very high95.2Very high158 Ų15860.8 Ų60.869%0.68730%0.304SS*.Hα-helixtrans-87.3-46.4-179.5-70.2171.9-175.7174.80112.9S52 R53 F54 P60S52-K56 WeakPolarHBondContact O-CG 3.45Å; R53-K56 PolarHBondContact O-N 3.09Å; R53-K56 VanDerWaalsContact O-N 3.09Å; F54-K56 VanDerWaalsContact C-N 3.32Å; F54-K56 PolarHBondContact O-N 3.42Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å; K56-P60 WeakPolarHBondContact O-CG 3.37Å
57E95.3Very high95.2Very high87 Ų8764.8 Ų64.841%0.40733%0.325SS..Hα-helixtrans-90-38.1-169.9-67177.2-158.500112.6R53 Q61R53-E57 WeakPolarHBondContact CD-OE1 3.3Å; R53-E57 VanDerWaalsContact CG-CD 3.49Å; R53-E57 HydrophobicContact CG-CG 4.24Å; R53-E57 WeakPolarHBondContact CG-OE1 3.46Å; R53-E57 IonicContact CZ-OE1 3.94Å; R53-E57 IonicContact CZ-OE2 3.84Å; R53-E57 VanDerWaalsContact CZ-OE2 3.28Å; R53-E57 VanDerWaalsContact NE-CD 3.27Å; R53-E57 IonicContact NE-OE1 2.81Å; R53-E57 PolarHBondContact NE-OE1 2.96Å; R53-E57 IonicContact NE-OE2 2.71Å; R53-E57 PolarHBondContact NE-OE2 3.48Å; R53-E57 VanDerWaalsContact NE-OE2 3.08Å; R53-E57 IonicContact NH2-OE1 3.78Å; R53-E57 IonicContact NH2-OE2 2.68Å; R53-E57 PolarHBondContact NH2-OE2 3.31Å; R53-E57 PolarHBondContact O-N 2.88Å; E57-Q61 PolarHBondContact O-NE2 3.42Å
58V96.2Very high95.2Very high6 Ų665.4 Ų65.44%0.03633%0.328CS..THydrogen-bonded Turntrans-100.9-49.4-168.5-175.80000112L27 T33 L36 F54 P60 Q61 Y62L27-V58 HydrophobicContact CD1-CG1 3.43Å; L27-V58 VanDerWaalsContact CD1-CG1 3.43Å; L27-V58 HydrophobicContact CD2-CG1 4.33Å; T33-V58 HydrophobicContact CG2-CG1 4.37Å; L36-V58 HydrophobicContact CB-CG2 4.31Å; L36-V58 HydrophobicContact CD1-CG2 3.64Å; F54-V58 HydrophobicContact CD2-CB 3.77Å; F54-V58 HydrophobicContact CD2-CG1 4.02Å; F54-V58 HydrophobicContact CD2-CG2 4.09Å; F54-V58 HydrophobicContact CE2-CB 4.01Å; F54-V58 HydrophobicContact CE2-CG1 3.8Å; F54-V58 WeakPolarHBondContact O-CB 3.25Å; F54-V58 PolarHBondContact O-N 3.39Å; V58-P60 VanDerWaalsContact C-CD 3.47Å; V58-Q61 PolarHBondContact O-N 3.34Å; V58-Q61 VanDerWaalsContact O-N 3.07Å; V58-Y62 HydrophobicContact CG1-CD2 4.24Å; V58-Y62 HydrophobicContact CG1-CE2 4.21Å
59L96.2Very high95.2Very high0 Ų068.5 Ų68.50%035%0.354CS..Hα-helixtrans-53.7-40.8-176-71.7-175.7000114.5F54 A55 Q61 Y62 F63 H65 F71F54-L59 HydrophobicContact CD1-CD2 4.47Å; F54-L59 HydrophobicContact CD1-CG 4.22Å; F54-L59 HydrophobicContact CE1-CD1 4.21Å; F54-L59 HydrophobicContact CE1-CD2 3.56Å; F54-L59 HydrophobicContact CE1-CG 3.79Å; F54-L59 HydrophobicContact CE2-CD2 4.42Å; F54-L59 HydrophobicContact CZ-CD2 3.53Å; F54-L59 HydrophobicContact CZ-CG 4.09Å; F54-L59 PolarHBondContact O-N 2.93Å; F54-L59 VanDerWaalsContact O-N 3.15Å; A55-L59 HydrophobicContact CB-CD1 4.18Å; L59-Q61 VanDerWaalsContact C-N 3.26Å; L59-Q61 PolarHBondContact O-N 3.42Å; L59-Y62 PolarHBondContact O-N 3.1Å; L59-F63 HydrophobicContact CD2-CD2 3.83Å; L59-F63 HydrophobicContact CD2-CE2 4.25Å; L59-F63 WeakPolarHBondContact O-CA 3.38Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.17Å; L59-F63 VanDerWaalsContact O-O 3.07Å; L59-H65 CarbonylContact C-O 3.56Å; L59-H65 WeakPolarHBondContact CB-O 3.42Å; L59-F71 HydrophobicContact CD1-CB 4.05Å; L59-F71 HydrophobicContact CD2-CB 4.02Å; L59-F71 HydrophobicContact CD2-CD2 3.65Å; L59-F71 HydrophobicContact CD2-CE2 4.23Å; L59-F71 HydrophobicContact CD2-CG 3.86Å
60P95.7Very high95.4Very high67 Ų6769.1 Ų69.144%0.43536%0.358SS..Hα-helixtrans-65.8-22.5179.9-24.937.4000115.2K56 V58 F63K56-P60 WeakPolarHBondContact O-CD 3.45Å; K56-P60 WeakPolarHBondContact O-CG 3.37Å; V58-P60 VanDerWaalsContact C-CD 3.47Å; P60-F63 CarbonylContact C-O 3.52Å; P60-F63 WeakPolarHBondContact CA-O 3.23Å
61Q94.5Very high95.6Very high148 Ų14865.5 Ų65.569%0.69234%0.339SS*.Hα-helixtrans-76.5-38.3-179.4-55.5-171.850.600111.1E57 V58 L59E57-Q61 PolarHBondContact O-NE2 3.42Å; V58-Q61 PolarHBondContact O-N 3.34Å; V58-Q61 VanDerWaalsContact O-N 3.07Å; L59-Q61 VanDerWaalsContact C-N 3.26Å; L59-Q61 PolarHBondContact O-N 3.42Å
62Y94.5Very high95.7Very high44 Ų4463.2 Ų63.217%0.17333%0.33CS..Hα-helixtrans-96.8-33.2-177.7-63.4-104.9000112.3K23 L27 D30 V58 L59K23-Y62 WeakPolarHBondContact CD-O 3.36Å; K23-Y62 PolarHBondContact NZ-O 2.96Å; L27-Y62 HydrophobicContact CB-CD1 3.83Å; L27-Y62 HydrophobicContact CB-CE1 3.78Å; L27-Y62 HydrophobicContact CB-CG 4.36Å; L27-Y62 HydrophobicContact CD1-CD1 4.33Å; L27-Y62 HydrophobicContact CD1-CD2 3.88Å; L27-Y62 HydrophobicContact CD1-CE1 4.02Å; L27-Y62 HydrophobicContact CD1-CE2 3.57Å; L27-Y62 HydrophobicContact CD1-CG 4.28Å; L27-Y62 HydrophobicContact CD2-CG 4.46Å; L27-Y62 HydrophobicContact CG-CE1 4.47Å; D30-Y62 PolarHBondContact OD2-OH 3.33Å; V58-Y62 HydrophobicContact CG1-CD2 4.24Å; V58-Y62 HydrophobicContact CG1-CE2 4.21Å; L59-Y62 PolarHBondContact O-N 3.1Å
63F95.3Very high95.8Very high23 Ų2367.8 Ų67.810%0.10134%0.335CS..SBendtrans-128.6154.8-171.6-54.4-72.6000112.4F20 K23 L27 L59 P60 H65 F71F20-F63 HydrophobicContact CD2-CD1 4.24Å; F20-F63 AromaticContact CD2-CE1 3.51Å; F20-F63 HydrophobicContact CD2-CE1 3.51Å; F20-F63 HydrophobicContact CD2-CZ 4.01Å; F20-F63 AromaticContact CE2-CE1 3.88Å; F20-F63 HydrophobicContact CE2-CE1 3.88Å; F20-F63 AromaticContact CE2-CZ 3.93Å; F20-F63 HydrophobicContact CE2-CZ 3.93Å; F20-F63 HydrophobicContact CG-CE1 4.49Å; K23-F63 HydrophobicContact CB-CE1 3.93Å; K23-F63 HydrophobicContact CB-CZ 4.07Å; K23-F63 HydrophobicContact CD-CE1 4.34Å; L27-F63 HydrophobicContact CD2-CE2 4.17Å; L59-F63 HydrophobicContact CD2-CD2 3.83Å; L59-F63 HydrophobicContact CD2-CE2 4.25Å; L59-F63 WeakPolarHBondContact O-CA 3.38Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.17Å; L59-F63 VanDerWaalsContact O-O 3.07Å; P60-F63 CarbonylContact C-O 3.52Å; P60-F63 WeakPolarHBondContact CA-O 3.23Å; F63-H65 PolarHBondContact O-N 3.01Å; F63-F71 HydrophobicContact CD2-CD2 4.48Å; F63-F71 HydrophobicContact CE2-CD2 4.07Å; F63-F71 AromaticContact CE2-CE2 3.99Å; F63-F71 HydrophobicContact CE2-CE2 3.99Å; F63-F71 HydrophobicContact CZ-CE2 4.42Å
64K94.8Very high95.9Very high222 Ų22265.5 Ų65.597%0.96533%0.328SS*.SBendtrans-79.436-178-60.4-170.8177.4-172.80113.4
65H95.6Very high95.9Very high56 Ų5665.5 Ų65.526%0.25933%0.328SS..  trans-162.1153.1178.658.451.9000112.3L59 F63 S70L59-H65 CarbonylContact C-O 3.56Å; L59-H65 WeakPolarHBondContact CB-O 3.42Å; F63-H65 PolarHBondContact O-N 3.01Å; H65-S70 WeakPolarHBondContact NE2-CB 3.28Å
66S96Very high95.9Very high77 Ų7769 Ų6954%0.53835%0.346SS..  trans-100.213.417051.80000113.7A55A55-S66 WeakPolarHBondContact CB-O 3.34Å; A55-S66 CarbonylContact O-C 3.59Å; A55-S66 VanDerWaalsContact O-CA 3.26Å; A55-S66 WeakPolarHBondContact O-CA 3.37Å; A55-S66 WeakPolarHBondContact O-CB 3.32Å; A55-S66 VanDerWaalsContact O-O 3.06Å
67N96.4Very high95.9Very high85 Ų8563.4 Ų63.446%0.45532%0.323SS..  trans-98.3116.2-172.6-171.1-17.7000112.3A69 S70 F71N67-A69 VanDerWaalsContact C-N 3.29Å; N67-A69 PolarHBondContact O-N 3.19Å; N67-A69 VanDerWaalsContact OD1-CB 3.32Å; N67-A69 WeakPolarHBondContact OD1-CB 3.26Å; N67-A69 PolarHBondContact OD1-N 3.07Å; N67-S70 WeakPolarHBondContact O-CB 3.42Å; N67-S70 PolarHBondContact O-N 3.1Å; N67-S70 VanDerWaalsContact O-N 3.1Å; N67-F71 PolarHBondContact O-N 2.68Å
68M96.2Very high95.9Very high23 Ų2360 Ų6011%0.11331%0.306CS..Hα-helixtrans-58.4-36.6175.8-173.456.817500112.9V48 Q51 F54 A55 S70 F71 V72 F101V48-M68 HydrophobicContact CB-CE 4.48Å; V48-M68 HydrophobicContact CG1-CE 4.1Å; Q51-M68 HydrophobicContact CB-CE 4.46Å; Q51-M68 HydrophobicContact CB-CG 4.46Å; Q51-M68 HydrophobicContact CG-CE 4.09Å; F54-M68 HydrophobicContact CD1-CE 4.47Å; F54-M68 HydrophobicContact CD1-SD 3.82Å; F54-M68 HydrophobicContact CE1-CE 4.46Å; F54-M68 HydrophobicContact CE1-SD 3.79Å; A55-M68 HydrophobicContact CB-CB 4.17Å; M68-S70 VanDerWaalsContact C-N 3.27Å; M68-S70 PolarHBondContact O-N 2.7Å; M68-F71 HydrophobicContact CE-CD1 4.16Å; M68-F71 WeakPolarHBondContact O-CB 3.43Å; M68-F71 PolarHBondContact O-N 2.71Å; M68-F71 HydrophobicContact SD-CB 4.44Å; M68-F71 HydrophobicContact SD-CD1 3.79Å; M68-V72 HydrophobicContact CE-CG2 3.86Å; M68-V72 HydrophobicContact CG-CG2 4.3Å; M68-V72 WeakPolarHBondContact O-CG2 3.26Å; M68-V72 PolarHBondContact O-N 3.49Å; M68-V72 HydrophobicContact SD-CG2 4.27Å; M68-F101 HydrophobicContact CE-CE2 4.39Å
69A96.5Very high95.9Very high66 Ų6660.3 Ų60.355%0.54531%0.31SS..Hα-helixtrans-65.2-31.7177.700000112.2N67 R73N67-A69 VanDerWaalsContact C-N 3.29Å; N67-A69 PolarHBondContact O-N 3.19Å; N67-A69 VanDerWaalsContact OD1-CB 3.32Å; N67-A69 WeakPolarHBondContact OD1-CB 3.26Å; N67-A69 PolarHBondContact OD1-N 3.07Å; A69-R73 VanDerWaalsContact O-CB 3.23Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 PolarHBondContact O-N 3.23Å
70S96.1Very high95.9Very high43 Ų4360.3 Ų60.330%0.30131%0.31SS..Hα-helixtrans-69.5-39.5173.5-56.80000111.9H65 N67 M68 Q74H65-S70 WeakPolarHBondContact NE2-CB 3.28Å; N67-S70 WeakPolarHBondContact O-CB 3.42Å; N67-S70 PolarHBondContact O-N 3.1Å; N67-S70 VanDerWaalsContact O-N 3.1Å; M68-S70 VanDerWaalsContact C-N 3.27Å; M68-S70 PolarHBondContact O-N 2.7Å; S70-Q74 WeakPolarHBondContact O-CG 3.46Å; S70-Q74 PolarHBondContact O-N 2.93Å; S70-Q74 VanDerWaalsContact O-N 3.13Å
71F97.2Very high96Very high0 Ų065.2 Ų65.20%032%0.32CS..Hα-helixtrans-63.9-50.8173.9178.1-105.9000111.7F20 L24 I37 F46 V48 F54 L59 F63 N67 M68 R73 Q74 L75F20-F71 HydrophobicContact CE2-CD2 4.21Å; F20-F71 HydrophobicContact CE2-CE2 4.39Å; F20-F71 HydrophobicContact CZ-CD2 4.45Å; F20-F71 HydrophobicContact CZ-CE2 4.38Å; L24-F71 HydrophobicContact CD1-CE2 3.8Å; L24-F71 HydrophobicContact CD1-CZ 3.67Å; I37-F71 HydrophobicContact CD1-CZ 4.32Å; F46-F71 HydrophobicContact CE2-CE1 4.47Å; F46-F71 HydrophobicContact CE2-CZ 4.35Å; V48-F71 HydrophobicContact CG2-CE1 4.47Å; F54-F71 AromaticContact CE1-CD1 3.9Å; F54-F71 HydrophobicContact CE1-CD1 3.9Å; F54-F71 AromaticContact CE1-CE1 3.84Å; F54-F71 HydrophobicContact CE1-CE1 3.84Å; F54-F71 HydrophobicContact CE1-CG 4.37Å; F54-F71 HydrophobicContact CE1-CZ 4.27Å; F54-F71 HydrophobicContact CZ-CD1 4.35Å; F54-F71 AromaticContact CZ-CE1 3.94Å; F54-F71 HydrophobicContact CZ-CE1 3.94Å; F54-F71 HydrophobicContact CZ-CE2 4.28Å; F54-F71 AromaticContact CZ-CZ 3.91Å; F54-F71 HydrophobicContact CZ-CZ 3.91Å; L59-F71 HydrophobicContact CD1-CB 4.05Å; L59-F71 HydrophobicContact CD2-CB 4.02Å; L59-F71 HydrophobicContact CD2-CD2 3.65Å; L59-F71 HydrophobicContact CD2-CE2 4.23Å; L59-F71 HydrophobicContact CD2-CG 3.86Å; F63-F71 HydrophobicContact CD2-CD2 4.48Å; F63-F71 HydrophobicContact CE2-CD2 4.07Å; F63-F71 AromaticContact CE2-CE2 3.99Å; F63-F71 HydrophobicContact CE2-CE2 3.99Å; F63-F71 HydrophobicContact CZ-CE2 4.42Å; N67-F71 PolarHBondContact O-N 2.68Å; M68-F71 HydrophobicContact CE-CD1 4.16Å; M68-F71 WeakPolarHBondContact O-CB 3.43Å; M68-F71 PolarHBondContact O-N 2.71Å; M68-F71 HydrophobicContact SD-CB 4.44Å; M68-F71 HydrophobicContact SD-CD1 3.79Å; F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 3.01Å; F71-Q74 WeakPolarHBondContact O-CB 3.47Å; F71-Q74 PolarHBondContact O-N 2.87Å; F71-L75 HydrophobicContact CD1-CD1 4Å; F71-L75 HydrophobicContact CE1-CD1 3.62Å; F71-L75 HydrophobicContact CE1-CG 4.33Å; F71-L75 HydrophobicContact CZ-CD1 4.11Å; F71-L75 HydrophobicContact CZ-CG 4.47Å; F71-L75 PolarHBondContact O-N 3.29Å
72V96.8Very high96Very high35 Ų3563.9 Ų63.921%0.21231%0.312CS..Hα-helixtrans-62.3-36.4177.1175.70000111.9M68 Q74 L75 N76 F101M68-V72 HydrophobicContact CE-CG2 3.86Å; M68-V72 HydrophobicContact CG-CG2 4.3Å; M68-V72 WeakPolarHBondContact O-CG2 3.26Å; M68-V72 PolarHBondContact O-N 3.49Å; M68-V72 HydrophobicContact SD-CG2 4.27Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.91Å; V72-L75 PolarHBondContact O-N 3.48Å; V72-N76 WeakPolarHBondContact O-CB 3.33Å; V72-N76 VanDerWaalsContact O-CG 3.28Å; V72-N76 PolarHBondContact O-N 3.46Å; V72-N76 PolarHBondContact O-ND2 2.84Å; V72-F101 HydrophobicContact CG1-CE1 4.44Å; V72-F101 HydrophobicContact CG1-CZ 4.48Å; V72-F101 HydrophobicContact CG2-CZ 3.85Å
73R96Very high96Very high179 Ų17964.1 Ų64.168%0.67532%0.318SS*.Hα-helixtrans-60.1-42.2172.4-178.2176.6-178.9172.12.2111.9A69 F71 N76 M77A69-R73 VanDerWaalsContact O-CB 3.23Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 PolarHBondContact O-N 3.23Å; F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 3.01Å; R73-N76 PolarHBondContact O-N 2.71Å; R73-M77 WeakPolarHBondContact O-CG 3.39Å; R73-M77 PolarHBondContact O-N 2.81Å
74Q96Very high95.5Very high46 Ų4668.1 Ų68.122%0.21534%0.344CS..Hα-helixtrans-65.1-46.5176.2-73.7-78.9102.900111.4F20 S70 F71 V72 N76 M77 Y78 R119F20-Q74 HydrophobicContact CD1-CB 4.4Å; F20-Q74 HydrophobicContact CD2-CB 3.88Å; F20-Q74 HydrophobicContact CD2-CG 4.19Å; F20-Q74 HydrophobicContact CE1-CB 4.01Å; F20-Q74 HydrophobicContact CE2-CB 3.44Å; F20-Q74 VanDerWaalsContact CE2-CB 3.44Å; F20-Q74 HydrophobicContact CE2-CG 4.11Å; F20-Q74 HydrophobicContact CG-CB 4.35Å; F20-Q74 HydrophobicContact CZ-CB 3.51Å; S70-Q74 WeakPolarHBondContact O-CG 3.46Å; S70-Q74 PolarHBondContact O-N 2.93Å; S70-Q74 VanDerWaalsContact O-N 3.13Å; F71-Q74 WeakPolarHBondContact O-CB 3.47Å; F71-Q74 PolarHBondContact O-N 2.87Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.91Å; Q74-N76 VanDerWaalsContact C-N 3.35Å; Q74-N76 PolarHBondContact O-N 2.93Å; Q74-M77 PolarHBondContact O-N 3.29Å; Q74-M77 VanDerWaalsContact O-N 3.11Å; Q74-Y78 VanDerWaalsContact O-CD2 3.24Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.31Å; Q74-Y78 PolarHBondContact O-N 3.16Å; Q74-R119 VanDerWaalsContact OE1-NH2 3.15Å
75L97.2Very high94.4Very high0 Ų060.2 Ų60.20%032%0.316CS..Hα-helixtrans-52.9-50.2173.7-67.9178.5000111.9F20 L24 F46 F71 V72 M77 Y78 G79 F80 F101F20-L75 HydrophobicContact CE1-CD2 4.12Å; F20-L75 HydrophobicContact CZ-CD2 3.91Å; F20-L75 HydrophobicContact CZ-CG 4.29Å; L24-L75 HydrophobicContact CD1-CD2 4.42Å; L24-L75 HydrophobicContact CD2-CD2 3.56Å; F46-L75 HydrophobicContact CE1-CD2 4.32Å; F46-L75 HydrophobicContact CE2-CD1 4.49Å; F46-L75 HydrophobicContact CZ-CD1 3.87Å; F46-L75 HydrophobicContact CZ-CD2 3.8Å; F71-L75 HydrophobicContact CD1-CD1 4Å; F71-L75 HydrophobicContact CE1-CD1 3.62Å; F71-L75 HydrophobicContact CE1-CG 4.33Å; F71-L75 HydrophobicContact CZ-CD1 4.11Å; F71-L75 HydrophobicContact CZ-CG 4.47Å; F71-L75 PolarHBondContact O-N 3.29Å; V72-L75 PolarHBondContact O-N 3.48Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 3.3Å; L75-Y78 CarbonylContact O-C 3.45Å; L75-Y78 PolarHBondContact O-N 3.35Å; L75-G79 PolarHBondContact O-N 2.81Å; L75-G79 VanDerWaalsContact O-N 3.1Å; L75-F80 HydrophobicContact CB-CB 3.99Å; L75-F80 HydrophobicContact CB-CD2 4.44Å; L75-F80 HydrophobicContact CB-CG 4.34Å; L75-F80 HydrophobicContact CD2-CB 4.45Å; L75-F80 HydrophobicContact CD2-CD1 4.19Å; L75-F80 HydrophobicContact CD2-CD2 3.98Å; L75-F80 HydrophobicContact CD2-CE1 4.46Å; L75-F80 HydrophobicContact CD2-CE2 4.26Å; L75-F80 HydrophobicContact CD2-CG 3.96Å; L75-F80 HydrophobicContact CD2-CZ 4.49Å; L75-F80 WeakPolarHBondContact O-CD2 3.28Å; L75-F80 PolarHBondContact O-N 3.06Å; L75-F80 VanDerWaalsContact O-N 3.13Å; L75-F101 HydrophobicContact CD1-CB 4.48Å; L75-F101 HydrophobicContact CD1-CD1 3.88Å; L75-F101 HydrophobicContact CD1-CD2 3.96Å; L75-F101 HydrophobicContact CD1-CE1 4.01Å; L75-F101 HydrophobicContact CD1-CE2 4.08Å; L75-F101 HydrophobicContact CD1-CG 3.86Å; L75-F101 HydrophobicContact CD1-CZ 4.11Å
76N96.2Very high93.2Very high84 Ų8465.2 Ų65.245%0.44934%0.343SS..Hα-helixtrans-60.3-37.9177.9-71.2-18.9000112.6V72 R73 Q74 Y78 G79V72-N76 WeakPolarHBondContact O-CB 3.33Å; V72-N76 VanDerWaalsContact O-CG 3.28Å; V72-N76 PolarHBondContact O-N 3.46Å; V72-N76 PolarHBondContact O-ND2 2.84Å; R73-N76 PolarHBondContact O-N 2.71Å; Q74-N76 VanDerWaalsContact C-N 3.35Å; Q74-N76 PolarHBondContact O-N 2.93Å; N76-Y78 VanDerWaalsContact C-N 3.34Å; N76-G79 PolarHBondContact O-N 2.83Å; N76-G79 VanDerWaalsContact O-N 3.16Å
77M94.7Very high91.7Very high41 Ų4170.7 Ų70.720%0.20236%0.361CS..Hα-helixtrans-68.4-28.5174.6-72.5-167.184.600113.5R73 Q74 L75 G79 R119 K120R73-M77 WeakPolarHBondContact O-CG 3.39Å; R73-M77 PolarHBondContact O-N 2.81Å; Q74-M77 PolarHBondContact O-N 3.29Å; Q74-M77 VanDerWaalsContact O-N 3.11Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 3.3Å; M77-G79 VanDerWaalsContact C-N 3.29Å; M77-R119 HydrophobicContact CB-CG 4.27Å; M77-R119 CarbonylContact O-C 3.58Å; M77-R119 PolarHBondContact SD-NH2 3.46Å; M77-R119 VanDerWaalsContact SD-NH2 3.41Å; M77-K120 WeakPolarHBondContact O-CB 3.37Å; M77-K120 PolarHBondContact O-N 3.26Å
78Y96.3Very high89.8Confident15 Ų1571.3 Ų71.36%0.05936%0.361CS..THydrogen-bonded Turntrans-89.27.1171.7-72.5-74.8000113.3P18 F20 L21 Q74 L75 N76 F80 V117 R119P18-Y78 HydrophobicContact CB-CE1 3.92Å; P18-Y78 WeakPolarHBondContact CB-OH 3.5Å; P18-Y78 HydrophobicContact CG-CE1 4Å; F20-Y78 HydrophobicContact CB-CE2 3.94Å; F20-Y78 AromaticContact CD1-CD2 3.35Å; F20-Y78 HydrophobicContact CD1-CD2 3.35Å; F20-Y78 AromaticContact CD1-CE2 3.38Å; F20-Y78 HydrophobicContact CD1-CE2 3.38Å; F20-Y78 HydrophobicContact CD1-CG 4.32Å; F20-Y78 AromaticContact CE1-CD2 3.72Å; F20-Y78 HydrophobicContact CE1-CD2 3.72Å; F20-Y78 HydrophobicContact CE1-CE2 4.18Å; F20-Y78 HydrophobicContact CG-CD2 4.27Å; F20-Y78 AromaticContact CG-CE2 3.87Å; F20-Y78 HydrophobicContact CG-CE2 3.87Å; L21-Y78 HydrophobicContact CD1-CD1 3.77Å; L21-Y78 HydrophobicContact CD1-CE1 3.87Å; L21-Y78 HydrophobicContact CD1-CG 4.43Å; L21-Y78 HydrophobicContact CD2-CD1 4.12Å; L21-Y78 HydrophobicContact CD2-CD2 4.34Å; L21-Y78 HydrophobicContact CD2-CG 3.94Å; L21-Y78 HydrophobicContact CG-CD1 4.08Å; L21-Y78 HydrophobicContact CG-CE1 4.19Å; L21-Y78 HydrophobicContact CG-CG 4.31Å; Q74-Y78 VanDerWaalsContact O-CD2 3.24Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.31Å; Q74-Y78 PolarHBondContact O-N 3.16Å; L75-Y78 CarbonylContact O-C 3.45Å; L75-Y78 PolarHBondContact O-N 3.35Å; N76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-F80 PolarHBondContact O-N 3.14Å; Y78-V117 HydrophobicContact CD1-CG1 4.28Å; Y78-R119 HydrophobicContact CD1-CB 3.98Å; Y78-R119 HydrophobicContact CD1-CG 4.29Å; Y78-R119 HydrophobicContact CE1-CB 3.59Å; Y78-R119 HydrophobicContact CE1-CG 3.94Å
79G95.6Very high87.7Confident12 Ų1272.9 Ų72.912%0.12438%0.383CS..THydrogen-bonded Turntrans84.13.2171.700000116.2L75 N76 M77L75-G79 PolarHBondContact O-N 2.81Å; L75-G79 VanDerWaalsContact O-N 3.1Å; N76-G79 PolarHBondContact O-N 2.83Å; N76-G79 VanDerWaalsContact O-N 3.16Å; M77-G79 VanDerWaalsContact C-N 3.29Å
80F97.4Very high85.6Confident1 Ų173.6 Ų73.60%0.00440%0.396CS..  trans-56.3150170.9-69.2-103000110.9L21 L24 F46 L75 Y78 Q102 H103 F106 V117L21-F80 HydrophobicContact CD2-CE2 3.84Å; L21-F80 HydrophobicContact CD2-CZ 4.19Å; L24-F80 HydrophobicContact CD2-CE1 4.13Å; L24-F80 HydrophobicContact CD2-CE2 4.21Å; L24-F80 HydrophobicContact CD2-CZ 3.69Å; F46-F80 AromaticContact CE1-CD1 3.92Å; F46-F80 HydrophobicContact CE1-CD1 3.92Å; F46-F80 AromaticContact CE1-CE1 3.78Å; F46-F80 HydrophobicContact CE1-CE1 3.78Å; L75-F80 HydrophobicContact CB-CB 3.99Å; L75-F80 HydrophobicContact CB-CD2 4.44Å; L75-F80 HydrophobicContact CB-CG 4.34Å; L75-F80 HydrophobicContact CD2-CB 4.45Å; L75-F80 HydrophobicContact CD2-CD1 4.19Å; L75-F80 HydrophobicContact CD2-CD2 3.98Å; L75-F80 HydrophobicContact CD2-CE1 4.46Å; L75-F80 HydrophobicContact CD2-CE2 4.26Å; L75-F80 HydrophobicContact CD2-CG 3.96Å; L75-F80 HydrophobicContact CD2-CZ 4.49Å; L75-F80 WeakPolarHBondContact O-CD2 3.28Å; L75-F80 PolarHBondContact O-N 3.06Å; L75-F80 VanDerWaalsContact O-N 3.13Å; Y78-F80 PolarHBondContact O-N 3.14Å; F80-Q102 CarbonylContact C-O 3.59Å; F80-Q102 WeakPolarHBondContact CA-O 3.49Å; F80-H103 HydrophobicContact CD1-CB 3.51Å; F80-H103 HydrophobicContact CD2-CB 4.25Å; F80-H103 HydrophobicContact CE1-CB 3.62Å; F80-H103 HydrophobicContact CE2-CB 4.35Å; F80-H103 HydrophobicContact CG-CB 3.84Å; F80-H103 HydrophobicContact CZ-CB 4.06Å; F80-F106 HydrophobicContact CE1-CB 3.76Å; F80-F106 AromaticContact CE1-CD1 3.83Å; F80-F106 HydrophobicContact CE1-CD1 3.83Å; F80-F106 HydrophobicContact CE1-CD2 4.01Å; F80-F106 HydrophobicContact CE1-CE1 4.44Å; F80-F106 AromaticContact CE1-CG 3.59Å; F80-F106 HydrophobicContact CE1-CG 3.59Å; F80-F106 HydrophobicContact CZ-CB 3.91Å; F80-F106 HydrophobicContact CZ-CD1 4.31Å; F80-F106 AromaticContact CZ-CD2 3.63Å; F80-F106 HydrophobicContact CZ-CD2 3.63Å; F80-F106 HydrophobicContact CZ-CE2 4.24Å; F80-F106 AromaticContact CZ-CG 3.68Å; F80-F106 HydrophobicContact CZ-CG 3.68Å; F80-V117 HydrophobicContact CE2-CG1 4.18Å
81R96.7Very high83.8Confident169 Ų16979.4 Ų79.464%0.63842%0.423SS*.EExtended strand (participates in β ladder)trans-119.9140.8176-58.2-56.8-167.1163.29.5109.5F101 Q102R81-F101 CarbonylContact O-C 3.46Å; R81-F101 VanDerWaalsContact O-CA 3.31Å; R81-F101 WeakPolarHBondContact O-CA 3.35Å; R81-Q102 PolarHBondContact N-O 3.25Å; R81-Q102 PolarHBondContact O-N 3.04Å
82K95.4Very high82Confident121 Ų12186.9 Ų86.953%0.52646%0.463SS..EExtended strand (participates in β ladder)trans-71.4128.3164.1171171.7175.1171.90108.1V84 V99 E100 F101K82-V84 HydrophobicContact CG-CG2 4.45Å; K82-V99 HydrophobicContact CD-CG1 3.69Å; K82-V99 HydrophobicContact CG-CG1 3.95Å; K82-E100 CarbonylContact C-O 3.4Å; K82-E100 WeakPolarHBondContact CA-O 3.49Å; K82-F101 HydrophobicContact CB-CD1 4.16Å; K82-F101 HydrophobicContact CB-CE1 3.96Å
83V92.8Very high80Confident48 Ų4894.7 Ų94.729%0.29149%0.488SS..  trans-78.1141169.3-177.40000108.2E100 Q102V83-E100 HydrophobicContact CB-CB 4.05Å; V83-E100 HydrophobicContact CB-CG 3.98Å; V83-E100 HydrophobicContact CG2-CB 4.42Å; V83-E100 HydrophobicContact CG2-CG 3.84Å; V83-E100 PolarHBondContact N-O 3.48Å; V83-Q102 HydrophobicContact CG2-CB 3.94Å
84V85.2Confident78.1Confident108 Ų10891.5 Ų91.566%0.65549%0.491SS*.  trans-123.9108.8-179.8179.70000108.3K82 I86K82-V84 HydrophobicContact CG-CG2 4.45Å; V84-I86 PolarHBondContact O-N 3.22Å; V84-I86 VanDerWaalsContact O-N 3.11Å
85S73Confident76.1Confident55 Ų5595.7 Ų95.739%0.38551%0.51SS..  trans-75.295.6179.1-55.40000110.6E87 Q88S85-E87 PolarHBondContact O-N 2.88Å; S85-E87 VanDerWaalsContact O-N 3.16Å; S85-Q88 WeakPolarHBondContact O-CB 3.47Å; S85-Q88 PolarHBondContact O-N 3.06Å
86I70Confident74.5Confident161 Ų161102.2 Ų102.283%0.82654%0.535SS*.THydrogen-bonded Turntrans-57.8-29.1-179.5-60.9169.9000111.8V84 Q88V84-I86 PolarHBondContact O-N 3.22Å; V84-I86 VanDerWaalsContact O-N 3.11Å; I86-Q88 PolarHBondContact O-N 3.17Å; I86-Q88 VanDerWaalsContact O-N 3.16Å
87E64.7Low73.4Confident193 Ų193104.7 Ų104.790%0.90255%0.548SS*.THydrogen-bonded Turntrans-62.8-16.4176.9-57.6179.7161.800114.1S85 G89S85-E87 PolarHBondContact O-N 2.88Å; S85-E87 VanDerWaalsContact O-N 3.16Å; E87-G89 VanDerWaalsContact C-N 3.3Å; E87-G89 PolarHBondContact O-N 2.93Å
88Q55.3Low73.1Confident98 Ų98105.3 Ų105.346%0.45855%0.55SS.*  trans-86.169.7179.2-63.91803.600111S85 I86 G90S85-Q88 WeakPolarHBondContact O-CB 3.47Å; S85-Q88 PolarHBondContact O-N 3.06Å; I86-Q88 PolarHBondContact O-N 3.17Å; I86-Q88 VanDerWaalsContact O-N 3.16Å; Q88-G90 PolarHBondContact O-N 3.22Å
89G52.3Low72.9Confident56 Ų56105.1 Ų105.158%0.57755%0.551SS**  trans-53.2120.3168.100000110.6E87 L91 L92E87-G89 VanDerWaalsContact C-N 3.3Å; E87-G89 PolarHBondContact O-N 2.93Å; G89-L91 PolarHBondContact O-N 3.14Å; G89-L92 PolarHBondContact O-N 3.48Å
90G53.5Low72.9Confident80 Ų80106.7 Ų106.783%0.82556%0.555SS**THydrogen-bonded Turntrans-71.434.4-152.700000119Q88Q88-G90 PolarHBondContact O-N 3.22Å
91L58.4Low72.9Confident165 Ų165106.9 Ų106.986%0.86456%0.556SS**THydrogen-bonded Turntrans-140.2-19.8174.5-90.7112.3000115.6G89G89-L91 PolarHBondContact O-N 3.14Å
92L58.7Low72.9Confident158 Ų158102.5 Ų102.583%0.82754%0.543SS*.SBendtrans-110-6-157.6-61.3-178.8000117.2G89G89-L92 PolarHBondContact O-N 3.48Å
93R54.4Low73Confident198 Ų19898 Ų9875%0.74752%0.524SS*.  trans-144.8106.7171.2-80.1-165.4171.8117.31.6112.9E95R93-E95 IonicContact NE-OE2 3.43Å; R93-E95 PolarHBondContact O-N 3.45Å
94P56Low73.2Confident113 Ų113101.1 Ų101.173%0.73455%0.545SS*.  trans-78.77.1167.734.1-36000113.2R96P94-R96 PolarHBondContact O-N 2.91Å; P94-R96 VanDerWaalsContact O-N 3.08Å
95E54.5Low73.7Confident134 Ų13497.2 Ų97.263%0.62652%0.522SS*.THydrogen-bonded Turntrans-69.5-7.6-169.7-154.3-170.2148.800114.2R93R93-E95 IonicContact NE-OE2 3.43Å; R93-E95 PolarHBondContact O-N 3.45Å
96R62.7Low74.8Confident137 Ų13794.6 Ų94.652%0.51750%0.504SS..THydrogen-bonded Turntrans-139.254.7-168.4-64.2-167.7-178.4-117.4-10.1113.7P94 H98P94-R96 PolarHBondContact O-N 2.91Å; P94-R96 VanDerWaalsContact O-N 3.08Å; R96-H98 PolarHBondContact O-N 3.33Å
97D73.8Confident76Confident135 Ų13588.6 Ų88.672%0.72247%0.474SS*.  trans-68.849.7168.5-77.4-18.8000113.4
98H87.9Confident77.5Confident54 Ų5485.2 Ų85.225%0.2545%0.453CS..EExtended strand (participates in β ladder)trans-121141.1173.649.2-115.9000112L47 V48 R96L47-H98 HydrophobicContact CB-CB 4.4Å; L47-H98 HydrophobicContact CD2-CB 4.49Å; L47-H98 VanDerWaalsContact CD2-CD2 3.45Å; L47-H98 WeakPolarHBondContact CD2-CD2 3.29Å; V48-H98 CarbonylContact O-C 3.59Å; V48-H98 VanDerWaalsContact O-CA 3.29Å; V48-H98 WeakPolarHBondContact O-CA 3.47Å; R96-H98 PolarHBondContact O-N 3.33Å
99V93Very high79.4Confident12 Ų1283.4 Ų83.47%0.07346%0.461CS..EExtended strand (participates in β ladder)trans-102.9117.1172.3-1800000109.2V48 Q51 K82 F101V48-V99 PolarHBondContact N-O 3.08Å; V48-V99 PolarHBondContact O-N 2.86Å; Q51-V99 HydrophobicContact CG-CG2 4.28Å; K82-V99 HydrophobicContact CD-CG1 3.69Å; K82-V99 HydrophobicContact CG-CG1 3.95Å; V99-F101 HydrophobicContact CB-CE2 4.16Å; V99-F101 HydrophobicContact CG1-CD2 4.11Å; V99-F101 HydrophobicContact CG1-CE1 4.32Å; V99-F101 HydrophobicContact CG1-CE2 3.44Å; V99-F101 VanDerWaalsContact CG1-CE2 3.44Å; V99-F101 HydrophobicContact CG1-CZ 3.57Å
100E95.4Very high81.3Confident44 Ų4482.6 Ų82.621%0.20645%0.446CS..EExtended strand (participates in β ladder)trans-89.7137.8176.2-179.6176.817600111.7S45 F46 L47 K82 V83S45-E100 WeakPolarHBondContact CB-OE1 3.34Å; S45-E100 PolarHBondContact OG-OE1 3.49Å; F46-E100 CarbonylContact O-C 3.58Å; F46-E100 WeakPolarHBondContact O-CA 3.4Å; L47-E100 HydrophobicContact CD2-CB 4.27Å; L47-E100 HydrophobicContact CG-CB 4.2Å; L47-E100 HydrophobicContact CG-CG 4.28Å; K82-E100 CarbonylContact C-O 3.4Å; K82-E100 WeakPolarHBondContact CA-O 3.49Å; V83-E100 HydrophobicContact CB-CB 4.05Å; V83-E100 HydrophobicContact CB-CG 3.98Å; V83-E100 HydrophobicContact CG2-CB 4.42Å; V83-E100 HydrophobicContact CG2-CG 3.84Å; V83-E100 PolarHBondContact N-O 3.48Å
101F97.4Very high83.2Confident5 Ų583.4 Ų83.42%0.02243%0.428CS..EExtended strand (participates in β ladder)trans-126.3139.4175.3-66.7-83000111.1S45 F46 V48 M68 V72 L75 R81 K82 V99S45-F101 WeakPolarHBondContact CA-O 3.35Å; S45-F101 VanDerWaalsContact CB-O 3.31Å; S45-F101 WeakPolarHBondContact CB-O 3.3Å; F46-F101 HydrophobicContact CD1-CB 4.31Å; F46-F101 HydrophobicContact CD2-CB 4.5Å; F46-F101 HydrophobicContact CE1-CB 3.76Å; F46-F101 HydrophobicContact CE2-CB 3.98Å; F46-F101 AromaticContact CE2-CD2 3.88Å; F46-F101 HydrophobicContact CE2-CD2 3.88Å; F46-F101 HydrophobicContact CE2-CG 4.31Å; F46-F101 HydrophobicContact CZ-CB 3.58Å; F46-F101 HydrophobicContact CZ-CD2 4.13Å; F46-F101 HydrophobicContact CZ-CG 4.13Å; F46-F101 PolarHBondContact N-O 3.12Å; F46-F101 PolarHBondContact O-N 2.87Å; V48-F101 HydrophobicContact CG2-CD2 4.35Å; V48-F101 HydrophobicContact CG2-CE2 4.37Å; M68-F101 HydrophobicContact CE-CE2 4.39Å; V72-F101 HydrophobicContact CG1-CE1 4.44Å; V72-F101 HydrophobicContact CG1-CZ 4.48Å; V72-F101 HydrophobicContact CG2-CZ 3.85Å; L75-F101 HydrophobicContact CD1-CB 4.48Å; L75-F101 HydrophobicContact CD1-CD1 3.88Å; L75-F101 HydrophobicContact CD1-CD2 3.96Å; L75-F101 HydrophobicContact CD1-CE1 4.01Å; L75-F101 HydrophobicContact CD1-CE2 4.08Å; L75-F101 HydrophobicContact CD1-CG 3.86Å; L75-F101 HydrophobicContact CD1-CZ 4.11Å; R81-F101 CarbonylContact O-C 3.46Å; R81-F101 VanDerWaalsContact O-CA 3.31Å; R81-F101 WeakPolarHBondContact O-CA 3.35Å; K82-F101 HydrophobicContact CB-CD1 4.16Å; K82-F101 HydrophobicContact CB-CE1 3.96Å; V99-F101 HydrophobicContact CB-CE2 4.16Å; V99-F101 HydrophobicContact CG1-CD2 4.11Å; V99-F101 HydrophobicContact CG1-CE1 4.32Å; V99-F101 HydrophobicContact CG1-CE2 3.44Å; V99-F101 VanDerWaalsContact CG1-CE2 3.44Å; V99-F101 HydrophobicContact CG1-CZ 3.57Å
102Q96.9Very high84.9Confident78 Ų7881.3 Ų81.336%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-132.3147-177.3176.8162.281.800111.9T44 F80 R81 V83T44-Q102 WeakPolarHBondContact O-CG 3.28Å; T44-Q102 PolarHBondContact O-NE2 3.3Å; F80-Q102 CarbonylContact C-O 3.59Å; F80-Q102 WeakPolarHBondContact CA-O 3.49Å; R81-Q102 PolarHBondContact N-O 3.25Å; R81-Q102 PolarHBondContact O-N 3.04Å; V83-Q102 HydrophobicContact CG2-CB 3.94Å
103H97.7Very high86.5Confident27 Ų2775.3 Ų75.313%0.12538%0.383CS..  trans-147.8133.8164.9179.1-90.9000109.6F80 S105 F106F80-H103 HydrophobicContact CD1-CB 3.51Å; F80-H103 HydrophobicContact CD2-CB 4.25Å; F80-H103 HydrophobicContact CE1-CB 3.62Å; F80-H103 HydrophobicContact CE2-CB 4.35Å; F80-H103 HydrophobicContact CG-CB 3.84Å; F80-H103 HydrophobicContact CZ-CB 4.06Å; H103-S105 PolarHBondContact ND1-N 3.25Å; H103-S105 VanDerWaalsContact ND1-N 3.15Å; H103-S105 PolarHBondContact O-N 2.81Å; H103-F106 HydrophobicContact CB-CB 3.98Å; H103-F106 PolarHBondContact O-N 2.97Å
104P95.7Very high88.4Confident113 Ų11365.9 Ų65.973%0.73435%0.347SS*.THydrogen-bonded Turntrans-57.9-26.8-172.4-28.135.8000115.8
105S95.6Very high90.1Very high25 Ų2563.9 Ų63.918%0.17533%0.328CS..THydrogen-bonded Turntrans-104.121177.6-39.50000113.5H103 L113H103-S105 PolarHBondContact ND1-N 3.25Å; H103-S105 VanDerWaalsContact ND1-N 3.15Å; H103-S105 PolarHBondContact O-N 2.81Å; S105-L113 WeakPolarHBondContact CB-O 3.16Å; S105-L113 CarbonylContact O-C 3.59Å; S105-L113 VanDerWaalsContact O-CB 3.3Å; S105-L113 WeakPolarHBondContact O-CB 3.43Å
106F96.5Very high91.9Very high1 Ų165.8 Ų65.80%0.00433%0.33CS..  trans-122.489.2175-170.1-91.4000109.1L24 W25 V28 W39 F46 F80 H103 L114L24-F106 HydrophobicContact CB-CE2 4.47Å; L24-F106 HydrophobicContact CD2-CE2 3.94Å; L24-F106 HydrophobicContact CD2-CZ 3.98Å; L24-F106 HydrophobicContact CG-CE2 4Å; L24-F106 HydrophobicContact CG-CZ 3.74Å; W25-F106 HydrophobicContact CB-CE2 3.99Å; W25-F106 HydrophobicContact CB-CZ 4.23Å; V28-F106 HydrophobicContact CG2-CE1 4.49Å; V28-F106 HydrophobicContact CG2-CZ 4.44Å; W39-F106 AromaticContact CH2-CD1 3.62Å; W39-F106 HydrophobicContact CH2-CD1 3.62Å; W39-F106 AromaticContact CH2-CE1 3.25Å; W39-F106 HydrophobicContact CH2-CE1 3.25Å; W39-F106 HydrophobicContact CH2-CG 4.46Å; W39-F106 AromaticContact CH2-CZ 3.84Å; W39-F106 HydrophobicContact CH2-CZ 3.84Å; W39-F106 HydrophobicContact CZ2-CE1 4.07Å; W39-F106 HydrophobicContact CZ2-CZ 4.36Å; W39-F106 AromaticContact CZ3-CD1 3.68Å; W39-F106 HydrophobicContact CZ3-CD1 3.68Å; W39-F106 AromaticContact CZ3-CE1 3.58Å; W39-F106 HydrophobicContact CZ3-CE1 3.58Å; F46-F106 HydrophobicContact CD1-CD1 4.13Å; F46-F106 AromaticContact CD1-CE1 3.75Å; F46-F106 HydrophobicContact CD1-CE1 3.75Å; F46-F106 HydrophobicContact CE1-CD1 4.49Å; F46-F106 HydrophobicContact CE1-CE1 4.18Å; F80-F106 HydrophobicContact CE1-CB 3.76Å; F80-F106 AromaticContact CE1-CD1 3.83Å; F80-F106 HydrophobicContact CE1-CD1 3.83Å; F80-F106 HydrophobicContact CE1-CD2 4.01Å; F80-F106 HydrophobicContact CE1-CE1 4.44Å; F80-F106 AromaticContact CE1-CG 3.59Å; F80-F106 HydrophobicContact CE1-CG 3.59Å; F80-F106 HydrophobicContact CZ-CB 3.91Å; F80-F106 HydrophobicContact CZ-CD1 4.31Å; F80-F106 AromaticContact CZ-CD2 3.63Å; F80-F106 HydrophobicContact CZ-CD2 3.63Å; F80-F106 HydrophobicContact CZ-CE2 4.24Å; F80-F106 AromaticContact CZ-CG 3.68Å; F80-F106 HydrophobicContact CZ-CG 3.68Å; H103-F106 HydrophobicContact CB-CB 3.98Å; H103-F106 PolarHBondContact O-N 2.97Å; F106-L114 HydrophobicContact CD2-CD2 3.41Å; F106-L114 VanDerWaalsContact CD2-CD2 3.41Å; F106-L114 HydrophobicContact CE2-CD2 3.76Å; F106-L114 HydrophobicContact CG-CD2 4.49Å
107V96.3Very high93.3Very high34 Ų3459.3 Ų59.321%0.20631%0.305CS..  trans-129138.9-170.3-177.40000110.1G43 G109 C110 L113G43-V107 WeakPolarHBondContact O-CA 3.39Å; V107-G109 PolarHBondContact O-N 2.96Å; V107-C110 HydrophobicContact CB-CB 4.35Å; V107-C110 PolarHBondContact O-N 3.38Å; V107-C110 VanDerWaalsContact O-N 3.14Å; V107-L113 HydrophobicContact CB-CD1 4.38Å; V107-L113 HydrophobicContact CG2-CD1 4.3Å
108R96.2Very high94.2Very high122 Ų12259.8 Ų59.846%0.4630%0.297SS..THydrogen-bonded Turntrans-55.7127.5178-174.6173.461.6-148.1-7.8110.5W39 S40 P41 G43 C110W39-R108 HydrophobicContact CD2-CB 3.65Å; W39-R108 HydrophobicContact CD2-CG 4.03Å; W39-R108 HydrophobicContact CE3-CB 3.82Å; W39-R108 HydrophobicContact CG-CB 4.07Å; W39-R108 HydrophobicContact CG-CG 4.02Å; W39-R108 HydrophobicContact CH2-CB 4.43Å; W39-R108 HydrophobicContact CZ2-CB 4.3Å; W39-R108 HydrophobicContact CZ3-CB 4.2Å; S40-R108 PolarHBondContact O-NH1 3.35Å; P41-R108 PolarHBondContact O-NH2 3.24Å; G43-R108 PolarHBondContact O-N 3.35Å; R108-C110 VanDerWaalsContact C-N 3.3Å; R108-C110 PolarHBondContact O-N 3.4Å
109G94Very high94.4Very high61 Ų6162.9 Ų62.963%0.62931%0.306SS*.THydrogen-bonded Turntrans78.13.1179.200000115.8V107V107-G109 PolarHBondContact O-N 2.96Å
110C93.6Very high94.3Very high39 Ų3967.2 Ų67.226%0.26432%0.324SS..  trans-121.562.1178.9-66.30000112.1V107 R108 Q112 L113V107-C110 HydrophobicContact CB-CB 4.35Å; V107-C110 PolarHBondContact O-N 3.38Å; V107-C110 VanDerWaalsContact O-N 3.14Å; R108-C110 VanDerWaalsContact C-N 3.3Å; R108-C110 PolarHBondContact O-N 3.4Å; C110-Q112 VanDerWaalsContact CA-OE1 3.27Å; C110-Q112 PolarHBondContact O-N 2.97Å; C110-L113 HydrophobicContact CB-CD1 3.64Å; C110-L113 HydrophobicContact CB-CG 3.94Å; C110-L113 WeakPolarHBondContact O-CB 3.48Å; C110-L113 PolarHBondContact O-N 3.41Å
111E93.5Very high93.6Very high96 Ų9671 Ų7145%0.44935%0.35SS..G310 helixtrans-58.6-32-178.8-163.1179.9179.700112.9W25 L113 L114W25-E111 HydrophobicContact CD2-CB 4.46Å; W25-E111 HydrophobicContact CD2-CG 4.13Å; W25-E111 HydrophobicContact CE3-CG 4.32Å; W25-E111 HydrophobicContact CH2-CB 4.32Å; W25-E111 HydrophobicContact CZ2-CB 3.91Å; W25-E111 HydrophobicContact CZ2-CG 4.39Å; E111-L113 PolarHBondContact O-N 3.31Å; E111-L114 HydrophobicContact CG-CD1 3.67Å; E111-L114 HydrophobicContact CG-CG 4.3Å; E111-L114 WeakPolarHBondContact O-CB 3.45Å; E111-L114 WeakPolarHBondContact O-CG 3.29Å; E111-L114 PolarHBondContact O-N 3.31Å
112Q92.6Very high92.3Very high122 Ų12275.6 Ų75.657%0.5738%0.381SS*.G310 helixtrans-59.2-17.7174.573-75.86.600114.2C110 L114C110-Q112 VanDerWaalsContact CA-OE1 3.27Å; C110-Q112 PolarHBondContact O-N 2.97Å; Q112-L114 VanDerWaalsContact C-N 3.33Å
113L93.6Very high90.8Very high31 Ų3175.6 Ų75.616%0.16239%0.394CS..G310 helixtrans-78-17173.6-62.3178.8000112.9S105 V107 C110 E111 E115 R116S105-L113 WeakPolarHBondContact CB-O 3.16Å; S105-L113 CarbonylContact O-C 3.59Å; S105-L113 VanDerWaalsContact O-CB 3.3Å; S105-L113 WeakPolarHBondContact O-CB 3.43Å; V107-L113 HydrophobicContact CB-CD1 4.38Å; V107-L113 HydrophobicContact CG2-CD1 4.3Å; C110-L113 HydrophobicContact CB-CD1 3.64Å; C110-L113 HydrophobicContact CB-CG 3.94Å; C110-L113 WeakPolarHBondContact O-CB 3.48Å; C110-L113 PolarHBondContact O-N 3.41Å; E111-L113 PolarHBondContact O-N 3.31Å; L113-E115 PolarHBondContact O-N 3.01Å; L113-R116 WeakPolarHBondContact O-CB 3.1Å; L113-R116 PolarHBondContact O-N 2.96Å
114L93.7Very high89.1Confident1 Ų182.4 Ų82.41%0.00543%0.43CS..G310 helixtrans-61.1-30.3178.1-63.4-176.2000112.7V17 W25 F106 E111 Q112 R116 V117V17-L114 HydrophobicContact CG1-CB 3.79Å; V17-L114 HydrophobicContact CG1-CD1 4.14Å; V17-L114 HydrophobicContact CG2-CB 4.08Å; W25-L114 HydrophobicContact CB-CD1 3.79Å; W25-L114 HydrophobicContact CB-CD2 4.5Å; W25-L114 HydrophobicContact CG-CD1 3.94Å; F106-L114 HydrophobicContact CD2-CD2 3.41Å; F106-L114 VanDerWaalsContact CD2-CD2 3.41Å; F106-L114 HydrophobicContact CE2-CD2 3.76Å; F106-L114 HydrophobicContact CG-CD2 4.49Å; E111-L114 HydrophobicContact CG-CD1 3.67Å; E111-L114 HydrophobicContact CG-CG 4.3Å; E111-L114 WeakPolarHBondContact O-CB 3.45Å; E111-L114 WeakPolarHBondContact O-CG 3.29Å; E111-L114 PolarHBondContact O-N 3.31Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 2.88Å; L114-V117 WeakPolarHBondContact O-CB 3.37Å; L114-V117 PolarHBondContact O-N 3.31Å; L114-V117 VanDerWaalsContact O-N 3.07Å
115E92Very high86.9Confident70 Ų7087.7 Ų87.733%0.32744%0.435SS..G310 helixtrans-60.2-32174.3-66.1-169.3-16500112.4P14 V17 L113 V117 R118P14-E115 WeakPolarHBondContact CB-OE1 3.48Å; V17-E115 HydrophobicContact CG2-CG 3.75Å; L113-E115 PolarHBondContact O-N 3.01Å; E115-V117 VanDerWaalsContact C-N 3.26Å; E115-V117 PolarHBondContact O-N 3.26Å; E115-R118 PolarHBondContact O-NE 2.84Å; E115-R118 PolarHBondContact O-NH1 3.27Å
116R91.9Very high84.6Confident174 Ų17489.5 Ų89.566%0.65746%0.459SS*.G310 helixtrans-75.1-15.2178.7-54.7-178.7-179.8-176-1.7112.5L113 L114 R118L113-R116 WeakPolarHBondContact O-CB 3.1Å; L113-R116 PolarHBondContact O-N 2.96Å; L114-R116 PolarHBondContact O-N 2.88Å; R116-R118 PolarHBondContact O-N 3.42Å
117V93.2Very high82.3Confident1 Ų196.3 Ų96.31%0.00650%0.495CS..  trans-79.586.1-179.1-171.20000110.3L21 Y78 F80 L114 E115L21-V117 HydrophobicContact CD1-CB 3.71Å; L21-V117 HydrophobicContact CD1-CG1 3.78Å; L21-V117 HydrophobicContact CD2-CB 4.42Å; L21-V117 HydrophobicContact CD2-CG1 3.79Å; L21-V117 HydrophobicContact CG-CG1 4.46Å; Y78-V117 HydrophobicContact CD1-CG1 4.28Å; F80-V117 HydrophobicContact CE2-CG1 4.18Å; L114-V117 WeakPolarHBondContact O-CB 3.37Å; L114-V117 PolarHBondContact O-N 3.31Å; L114-V117 VanDerWaalsContact O-N 3.07Å; E115-V117 VanDerWaalsContact C-N 3.26Å; E115-V117 PolarHBondContact O-N 3.26Å
118R91.4Very high79.9Confident145 Ų145100.5 Ų100.555%0.54752%0.516SS..  trans-82.4137.4-177.8-56.9-47.1-167.8-178.76.8112.3S15 E115 R116 K120S15-R118 VanDerWaalsContact OG-CZ 3.31Å; S15-R118 PolarHBondContact OG-NH1 2.93Å; S15-R118 PolarHBondContact OG-NH2 2.98Å; E115-R118 PolarHBondContact O-NE 2.84Å; E115-R118 PolarHBondContact O-NH1 3.27Å; R116-R118 PolarHBondContact O-N 3.42Å; R118-K120 PolarHBondContact O-N 3.47Å
119R92.8Very high78.1Confident119 Ų119100.7 Ų100.745%0.44953%0.531SS..  trans-70.8124.3173.4-162.1-177.1-168.4-174.36.7109.5Q74 M77 Y78 V121Q74-R119 VanDerWaalsContact OE1-NH2 3.15Å; M77-R119 HydrophobicContact CB-CG 4.27Å; M77-R119 CarbonylContact O-C 3.58Å; M77-R119 PolarHBondContact SD-NH2 3.46Å; M77-R119 VanDerWaalsContact SD-NH2 3.41Å; Y78-R119 HydrophobicContact CD1-CB 3.98Å; Y78-R119 HydrophobicContact CD1-CG 4.29Å; Y78-R119 HydrophobicContact CE1-CB 3.59Å; Y78-R119 HydrophobicContact CE1-CG 3.94Å; R119-V121 PolarHBondContact O-N 2.84Å
120K90.1Very high76.5Confident103 Ų103108.5 Ų108.545%0.44854%0.541SS..  trans-63.1106.2168.8-63.8178.1180176.60108.7M77 R118 P122M77-K120 WeakPolarHBondContact O-CB 3.37Å; M77-K120 PolarHBondContact O-N 3.26Å; R118-K120 PolarHBondContact O-N 3.47Å; K120-P122 WeakPolarHBondContact O-CD 3.2Å
121V81.4Confident75.2Confident124 Ų124114.7 Ų114.775%0.75256%0.559SS**  trans-73.4123.7165.9-178.40000106.7R119 A123R119-V121 PolarHBondContact O-N 2.84Å; V121-A123 PolarHBondContact O-N 2.81Å; V121-A123 VanDerWaalsContact O-N 3.09Å
122P70.8Confident74.3Confident102 Ų102118.3 Ų118.366%0.66257%0.569SS**  trans-63.2113.5167.5-16.230.4000107.6K120 L124K120-P122 WeakPolarHBondContact O-CD 3.2Å; P122-L124 PolarHBondContact O-N 3.48Å
123A64.3Low73.6Confident77 Ų77117.1 Ų117.164%0.63657%0.572SS**PPolyproline II helixtrans-57.8124.2169.800000108.1V121 R125V121-A123 PolarHBondContact O-N 2.81Å; V121-A123 VanDerWaalsContact O-N 3.09Å; A123-R125 PolarHBondContact O-N 3.46Å
124L62.8Low73.1Confident170 Ų170121.4 Ų121.489%0.8959%0.591SS**PPolyproline II helixtrans-54127.4166.5-91.7160.5000107.3P122 G126P122-L124 PolarHBondContact O-N 3.48Å; L124-G126 PolarHBondContact O-N 2.95Å; L124-G126 VanDerWaalsContact O-N 3.1Å
125R49.4Very low72.7Confident224 Ų224125 Ų12585%0.84561%0.61SS**SBendtrans-56.9117.2-178.3-71.3-72-172.6-101.96.8109A123A123-R125 PolarHBondContact O-N 3.46Å
126G47.3Very low72.5Confident64 Ų64126.6 Ų126.666%0.6662%0.62SS**  trans-168.7118.6-176.800000109.1L124L124-G126 PolarHBondContact O-N 2.95Å; L124-G126 VanDerWaalsContact O-N 3.1Å
127D47.4Very low72.4Confident144 Ų144120.5 Ų120.577%0.7761%0.612SS**  trans58.872.5-179.4-122.740.8000115.5
128D45.6Very low72.2Confident122 Ų122128.5 Ų128.565%0.65264%0.642SS**  trans-59.5165.7155.4-70.6-81.1000111.1R130D128-R130 PolarHBondContact O-N 3.33Å
129T59.5Low72.1Confident125 Ų125125 Ų12577%0.76763%0.634SS**  trans87.5-23.3167.8-28.50000118.7W131T129-W131 VanDerWaalsContact C-N 3.28Å; T129-W131 PolarHBondContact O-N 3.22Å
130R59.2Low72.1Confident226 Ų226124 Ų12485%0.85364%0.637SS**  trans-80.269.9174.1-84.3-164.7178-165.12.1113.8D128D128-R130 PolarHBondContact O-N 3.33Å
131W67.5Low72.2Confident168 Ų168120.9 Ų120.964%0.63663%0.634SS**  trans-57.8138.4160.5-6490.4000110.3T129 D135 L139T129-W131 VanDerWaalsContact C-N 3.28Å; T129-W131 PolarHBondContact O-N 3.22Å; W131-D135 HydrophobicContact CE3-CB 4.3Å; W131-L139 HydrophobicContact CZ3-CD2 4.48Å
132R73.5Confident72.7Confident172 Ų172120.4 Ų120.465%0.64962%0.623SS**  trans-72.8143.9167.2-70.4-74.1176.4173.2-1.4109.4E134 D135 L136R132-E134 WeakPolarHBondContact CB-OE2 3.41Å; R132-E134 PolarHBondContact O-N 2.99Å; R132-E134 VanDerWaalsContact O-N 3.17Å; R132-D135 HydrophobicContact CB-CB 4.21Å; R132-D135 WeakPolarHBondContact CB-OD2 3.39Å; R132-D135 PolarHBondContact O-N 3.49Å; R132-L136 PolarHBondContact O-N 3.08Å
133P78Confident73.9Confident98 Ų98119.4 Ų119.464%0.63662%0.615SS**Hα-helixtrans-53.1-34.9173.1-2735.4000112.6G137P133-G137 PolarHBondContact O-N 2.94Å
134E83.8Confident75.2Confident121 Ų121121.6 Ų121.657%0.56561%0.612SS**Hα-helixtrans-67.5-37.7176.7-58.277.8-17100112.5R132 R138R132-E134 WeakPolarHBondContact CB-OE2 3.41Å; R132-E134 PolarHBondContact O-N 2.99Å; R132-E134 VanDerWaalsContact O-N 3.17Å; E134-R138 VanDerWaalsContact O-CG 3.26Å; E134-R138 WeakPolarHBondContact O-CG 3.37Å; E134-R138 PolarHBondContact O-N 2.72Å
135D85.5Confident76.6Confident77 Ų77116.5 Ų116.541%0.41259%0.594SS.*Hα-helixtrans-72.3-40.3176.9-64.5-29.2000111W131 R132 R138 L139W131-D135 HydrophobicContact CE3-CB 4.3Å; R132-D135 HydrophobicContact CB-CB 4.21Å; R132-D135 WeakPolarHBondContact CB-OD2 3.39Å; R132-D135 PolarHBondContact O-N 3.49Å; D135-R138 PolarHBondContact O-N 2.87Å; D135-L139 WeakPolarHBondContact O-CB 3.39Å; D135-L139 PolarHBondContact O-N 2.76Å
136L87Confident78.8Confident102 Ų102111.3 Ų111.353%0.53458%0.583SS.*Hα-helixtrans-66.6-39.9175.8-176.762.4000111.7R132 L139 L140R132-L136 PolarHBondContact O-N 3.08Å; L136-L139 PolarHBondContact O-N 3.08Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 PolarHBondContact O-N 3.33Å
137G89.5Confident80.9Confident46 Ų46115.2 Ų115.247%0.47458%0.578SS.*Hα-helixtrans-63.8-39.9173.900000112.8P133 G141P133-G137 PolarHBondContact O-N 2.94Å; G137-G141 PolarHBondContact O-N 3.07Å; G137-G141 VanDerWaalsContact O-N 3.08Å
138R89.3Confident83Confident169 Ų169110.2 Ų110.264%0.63856%0.56SS**Hα-helixtrans-61.9-50.1171.6-76.5169.6177-77.7-3.8111.7E134 D135 L140 G141 E142E134-R138 VanDerWaalsContact O-CG 3.26Å; E134-R138 WeakPolarHBondContact O-CG 3.37Å; E134-R138 PolarHBondContact O-N 2.72Å; D135-R138 PolarHBondContact O-N 2.87Å; R138-L140 VanDerWaalsContact C-N 3.3Å; R138-L140 PolarHBondContact O-N 3.19Å; R138-G141 PolarHBondContact O-N 2.72Å; R138-G141 VanDerWaalsContact O-N 3.1Å; R138-E142 WeakPolarHBondContact O-CG 3.22Å; R138-E142 PolarHBondContact O-N 3.04Å
139L90.4Very high85.3Confident72 Ų72108.7 Ų108.738%0.37756%0.555SS.*Hα-helixtrans-59.8-39.6179.4-175.464.8000111.9W131 D135 L136 E142 V143W131-L139 HydrophobicContact CZ3-CD2 4.48Å; D135-L139 WeakPolarHBondContact O-CB 3.39Å; D135-L139 PolarHBondContact O-N 2.76Å; L136-L139 PolarHBondContact O-N 3.08Å; L139-E142 PolarHBondContact O-N 3.16Å; L139-V143 WeakPolarHBondContact O-CB 3.42Å; L139-V143 VanDerWaalsContact O-CG2 3.29Å; L139-V143 WeakPolarHBondContact O-CG2 3.49Å; L139-V143 PolarHBondContact O-N 3.29Å
140L91.2Very high86.9Confident98 Ų98107.8 Ų107.851%0.51354%0.542SS..Hα-helixtrans-64.6-41174.8-178.360.4000112.1L136 R138 V143 Q144L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 PolarHBondContact O-N 3.33Å; R138-L140 VanDerWaalsContact C-N 3.3Å; R138-L140 PolarHBondContact O-N 3.19Å; L140-V143 PolarHBondContact O-N 3.24Å; L140-Q144 WeakPolarHBondContact O-CG 3.39Å; L140-Q144 PolarHBondContact O-N 3.08Å
141G92.6Very high88.6Confident37 Ų37101.7 Ų101.738%0.38152%0.523SS..Hα-helixtrans-64.3-41.4173.600000113G137 R138 Q144 A145G137-G141 PolarHBondContact O-N 3.07Å; G137-G141 VanDerWaalsContact O-N 3.08Å; R138-G141 PolarHBondContact O-N 2.72Å; R138-G141 VanDerWaalsContact O-N 3.1Å; G141-Q144 PolarHBondContact O-N 3.01Å; G141-A145 WeakPolarHBondContact O-CB 3.31Å; G141-A145 PolarHBondContact O-N 2.95Å
142E93.2Very high89.9Confident115 Ų11597.5 Ų97.554%0.53752%0.519SS..Hα-helixtrans-62.7-42.4173.9-73.1174.2-160.700111.5R138 L139 A145 L146R138-E142 WeakPolarHBondContact O-CG 3.22Å; R138-E142 PolarHBondContact O-N 3.04Å; L139-E142 PolarHBondContact O-N 3.16Å; E142-A145 PolarHBondContact O-N 2.95Å; E142-L146 WeakPolarHBondContact O-CB 3.33Å; E142-L146 VanDerWaalsContact O-CG 3.25Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 3.34Å
143V94.6Very high90.9Very high80 Ų8093.2 Ų93.249%0.48551%0.513SS..Hα-helixtrans-65.4-37.9175.3168.40000112.2L139 L140 R147L139-V143 WeakPolarHBondContact O-CB 3.42Å; L139-V143 VanDerWaalsContact O-CG2 3.29Å; L139-V143 WeakPolarHBondContact O-CG2 3.49Å; L139-V143 PolarHBondContact O-N 3.29Å; L140-V143 PolarHBondContact O-N 3.24Å; V143-R147 WeakPolarHBondContact O-CB 3.5Å; V143-R147 PolarHBondContact O-N 3.39Å
144Q92.1Very high91.8Very high124 Ų12493 Ų9358%0.57950%0.503SS*.Hα-helixtrans-67.1-41.2174-73.1176.616.600112.1L140 G141 R147 G148L140-Q144 WeakPolarHBondContact O-CG 3.39Å; L140-Q144 PolarHBondContact O-N 3.08Å; G141-Q144 PolarHBondContact O-N 3.01Å; Q144-R147 WeakPolarHBondContact O-CB 3.24Å; Q144-R147 PolarHBondContact O-N 2.81Å; Q144-G148 PolarHBondContact O-N 3.16Å; Q144-G148 VanDerWaalsContact O-N 3.15Å
145A92.7Very high92.4Very high62 Ų6289.9 Ų89.951%0.51250%0.498SS..Hα-helixtrans-64.9-43.6174.700000111.8G141 E142 R147 G148 V149G141-A145 WeakPolarHBondContact O-CB 3.31Å; G141-A145 PolarHBondContact O-N 2.95Å; E142-A145 PolarHBondContact O-N 2.95Å; A145-R147 VanDerWaalsContact C-N 3.32Å; A145-R147 PolarHBondContact O-N 2.77Å; A145-G148 PolarHBondContact O-N 2.81Å; A145-V149 WeakPolarHBondContact O-CG2 3.03Å; A145-V149 PolarHBondContact O-N 3.08Å
146L94Very high92.9Very high115 Ų11595.1 Ų95.160%0.60251%0.512SS*.Hα-helixtrans-61.6-38.3175.1-75.7168000112.1E142 V149 Q150E142-L146 WeakPolarHBondContact O-CB 3.33Å; E142-L146 VanDerWaalsContact O-CG 3.25Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 3.34Å; L146-V149 PolarHBondContact O-N 2.94Å; L146-Q150 WeakPolarHBondContact O-CB 3.35Å; L146-Q150 PolarHBondContact O-N 3.13Å
147R92.7Very high93.3Very high147 Ų14794.1 Ų94.156%0.55551%0.507SS*.Hα-helixtrans-58.6-49172.3168.8174.2-74.1-75.5-0.2111.9V143 Q144 A145 V149 Q150 E151V143-R147 WeakPolarHBondContact O-CB 3.5Å; V143-R147 PolarHBondContact O-N 3.39Å; Q144-R147 WeakPolarHBondContact O-CB 3.24Å; Q144-R147 PolarHBondContact O-N 2.81Å; A145-R147 VanDerWaalsContact C-N 3.32Å; A145-R147 PolarHBondContact O-N 2.77Å; R147-V149 VanDerWaalsContact C-N 3.31Å; R147-V149 PolarHBondContact O-N 3.33Å; R147-Q150 WeakPolarHBondContact O-CB 3.13Å; R147-Q150 PolarHBondContact O-N 2.84Å; R147-Q150 VanDerWaalsContact O-N 3.16Å; R147-E151 VanDerWaalsContact CD-OE1 3.3Å; R147-E151 WeakPolarHBondContact CD-OE1 3.14Å; R147-E151 HydrophobicContact CG-CG 4.39Å; R147-E151 WeakPolarHBondContact CG-OE1 3.38Å; R147-E151 IonicContact CZ-OE1 3.72Å; R147-E151 IonicContact NE-OE1 2.81Å; R147-E151 IonicContact NH1-OE1 3.76Å; R147-E151 PolarHBondContact NH1-OE1 2.71Å; R147-E151 WeakPolarHBondContact O-CG 3.32Å; R147-E151 PolarHBondContact O-N 3.16Å
148G91.7Very high93.6Very high39 Ų3998.1 Ų98.140%0.40251%0.513SS..Hα-helixtrans-62.6-37177.900000113.1Q144 A145 S152Q144-G148 PolarHBondContact O-N 3.16Å; Q144-G148 VanDerWaalsContact O-N 3.15Å; A145-G148 PolarHBondContact O-N 2.81Å; G148-S152 VanDerWaalsContact O-CB 3.32Å; G148-S152 WeakPolarHBondContact O-CB 2.95Å; G148-S152 PolarHBondContact O-N 3.11Å
149V94.2Very high94Very high90 Ų9094.3 Ų94.355%0.54550%0.503SS..Hα-helixtrans-67.5-39.7173.3173.10000111.5A145 L146 R147 T153A145-V149 WeakPolarHBondContact O-CG2 3.03Å; A145-V149 PolarHBondContact O-N 3.08Å; L146-V149 PolarHBondContact O-N 2.94Å; R147-V149 VanDerWaalsContact C-N 3.31Å; R147-V149 PolarHBondContact O-N 3.33Å; V149-T153 VanDerWaalsContact O-CB 3.3Å; V149-T153 WeakPolarHBondContact O-CB 3.47Å; V149-T153 PolarHBondContact O-N 3.39Å; V149-T153 PolarHBondContact O-OG1 3.25Å
150Q93.3Very high94.2Very high106 Ų10695.3 Ų95.350%0.49551%0.508SS..Hα-helixtrans-62.5-52.7175.4176.5179.1-10.400110.9L146 R147 S152 T153 E154L146-Q150 WeakPolarHBondContact O-CB 3.35Å; L146-Q150 PolarHBondContact O-N 3.13Å; R147-Q150 WeakPolarHBondContact O-CB 3.13Å; R147-Q150 PolarHBondContact O-N 2.84Å; R147-Q150 VanDerWaalsContact O-N 3.16Å; Q150-S152 VanDerWaalsContact C-N 3.31Å; Q150-S152 PolarHBondContact O-N 3.48Å; Q150-T153 CarbonylContact O-C 3.4Å; Q150-T153 WeakPolarHBondContact O-CB 3.3Å; Q150-T153 PolarHBondContact O-N 2.79Å; Q150-E154 HydrophobicContact CG-CG 4.35Å; Q150-E154 VanDerWaalsContact CG-OE1 3.22Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.37Å; Q150-E154 PolarHBondContact NE2-OE1 3Å; Q150-E154 WeakPolarHBondContact O-CB 3.11Å; Q150-E154 WeakPolarHBondContact O-CG 3.41Å; Q150-E154 PolarHBondContact O-N 3.19Å
151E93.5Very high94.4Very high98 Ų9898.1 Ų98.146%0.45851%0.511SS..Hα-helixtrans-59.8-40.2-179.9-71.1165.2-171.100111.3R147 A155R147-E151 VanDerWaalsContact CD-OE1 3.3Å; R147-E151 WeakPolarHBondContact CD-OE1 3.14Å; R147-E151 HydrophobicContact CG-CG 4.39Å; R147-E151 WeakPolarHBondContact CG-OE1 3.38Å; R147-E151 IonicContact CZ-OE1 3.72Å; R147-E151 IonicContact NE-OE1 2.81Å; R147-E151 IonicContact NH1-OE1 3.76Å; R147-E151 PolarHBondContact NH1-OE1 2.71Å; R147-E151 WeakPolarHBondContact O-CG 3.32Å; R147-E151 PolarHBondContact O-N 3.16Å; E151-A155 WeakPolarHBondContact O-CB 3.41Å; E151-A155 PolarHBondContact O-N 3.46Å
152S94.9Very high94.6Very high79 Ų79102 Ų10255%0.55252%0.519SS*.Hα-helixtrans-65.1-39.1172.5-175.40000113.2G148 Q150 R156G148-S152 VanDerWaalsContact O-CB 3.32Å; G148-S152 WeakPolarHBondContact O-CB 2.95Å; G148-S152 PolarHBondContact O-N 3.11Å; Q150-S152 VanDerWaalsContact C-N 3.31Å; Q150-S152 PolarHBondContact O-N 3.48Å; S152-R156 WeakPolarHBondContact O-CB 3.4Å; S152-R156 PolarHBondContact O-N 2.89Å
153T95.5Very high94.7Very high83 Ų83100.6 Ų100.651%0.50951%0.513SS..Hα-helixtrans-70.5-39.8178.5-58.50000111.5V149 Q150 R156 L157V149-T153 VanDerWaalsContact O-CB 3.3Å; V149-T153 WeakPolarHBondContact O-CB 3.47Å; V149-T153 PolarHBondContact O-N 3.39Å; V149-T153 PolarHBondContact O-OG1 3.25Å; Q150-T153 CarbonylContact O-C 3.4Å; Q150-T153 WeakPolarHBondContact O-CB 3.3Å; Q150-T153 PolarHBondContact O-N 2.79Å; T153-R156 PolarHBondContact O-N 2.9Å; T153-L157 WeakPolarHBondContact O-CB 3.36Å; T153-L157 PolarHBondContact O-N 2.89Å
154E95.9Very high94.7Very high92 Ų92100.9 Ų100.943%0.4351%0.512SS..Hα-helixtrans-65.4-44.9175.6-73.9177.6-167.200111.4Q150 R156 L157 Q158Q150-E154 HydrophobicContact CG-CG 4.35Å; Q150-E154 VanDerWaalsContact CG-OE1 3.22Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.37Å; Q150-E154 PolarHBondContact NE2-OE1 3Å; Q150-E154 WeakPolarHBondContact O-CB 3.11Å; Q150-E154 WeakPolarHBondContact O-CG 3.41Å; Q150-E154 PolarHBondContact O-N 3.19Å; E154-R156 PolarHBondContact O-N 3.41Å; E154-L157 PolarHBondContact O-N 3.03Å; E154-Q158 WeakPolarHBondContact O-CG 3.47Å; E154-Q158 PolarHBondContact O-N 3.39Å
155A96Very high94.8Very high56 Ų5699.8 Ų99.846%0.46351%0.507SS..Hα-helixtrans-59.1-44.5173.200000111.8E151 L157 Q158 E159E151-A155 WeakPolarHBondContact O-CB 3.41Å; E151-A155 PolarHBondContact O-N 3.46Å; A155-L157 VanDerWaalsContact C-N 3.31Å; A155-L157 PolarHBondContact O-N 2.99Å; A155-Q158 PolarHBondContact O-N 3.33Å; A155-E159 PolarHBondContact O-N 2.75Å
156R96.4Very high95Very high188 Ų18899.8 Ų99.871%0.70950%0.498SS*.Hα-helixtrans-65.1-33.2176.3-169173.7-175.3171.12.1112.8S152 T153 E154 L160S152-R156 WeakPolarHBondContact O-CB 3.4Å; S152-R156 PolarHBondContact O-N 2.89Å; T153-R156 PolarHBondContact O-N 2.9Å; E154-R156 PolarHBondContact O-N 3.41Å; R156-L160 HydrophobicContact CG-CD1 4.38Å; R156-L160 WeakPolarHBondContact O-CB 3.44Å; R156-L160 VanDerWaalsContact O-CG 3.28Å; R156-L160 WeakPolarHBondContact O-CG 3.11Å; R156-L160 PolarHBondContact O-N 2.82Å
157L96.5Very high95Very high80 Ų8098.8 Ų98.842%0.41949%0.492SS..Hα-helixtrans-72.5-34.9174.8-178.162.4000112.2T153 E154 A155 R161T153-L157 WeakPolarHBondContact O-CB 3.36Å; T153-L157 PolarHBondContact O-N 2.89Å; E154-L157 PolarHBondContact O-N 3.03Å; A155-L157 VanDerWaalsContact C-N 3.31Å; A155-L157 PolarHBondContact O-N 2.99Å; L157-R161 VanDerWaalsContact O-CG 3.3Å; L157-R161 WeakPolarHBondContact O-CG 3.36Å; L157-R161 PolarHBondContact O-N 3.43Å; L157-R161 VanDerWaalsContact O-N 3.08Å
158Q95.6Very high95Very high130 Ų13096.6 Ų96.661%0.60748%0.484SS*.Hα-helixtrans-66.1-44.6172.1-71.4175.38.100111.4E154 A155 R161 Q162E154-Q158 WeakPolarHBondContact O-CG 3.47Å; E154-Q158 PolarHBondContact O-N 3.39Å; A155-Q158 PolarHBondContact O-N 3.33Å; Q158-R161 WeakPolarHBondContact O-CB 3.22Å; Q158-R161 PolarHBondContact O-N 3.5Å; Q158-Q162 PolarHBondContact O-N 2.88Å
159E96.3Very high95.2Very high90 Ų90101.8 Ų101.842%0.42149%0.492SS..Hα-helixtrans-59.7-49174.9179.658.3-158.200111.5A155 R161 Q162 Q163A155-E159 PolarHBondContact O-N 2.75Å; E159-R161 VanDerWaalsContact C-N 3.27Å; E159-R161 PolarHBondContact O-N 3.05Å; E159-Q162 PolarHBondContact O-N 2.9Å; E159-Q162 VanDerWaalsContact O-N 3.08Å; E159-Q163 WeakPolarHBondContact O-CG 3.35Å; E159-Q163 PolarHBondContact O-N 3.09Å; E159-Q163 PolarHBondContact OE1-NE2 3.28Å
160L95.2Very high95.3Very high93 Ų93102.4 Ų102.449%0.48749%0.488SS..Hα-helixtrans-60.1-34.8176.8-75.9168.4000112.9R156 N164R156-L160 HydrophobicContact CG-CD1 4.38Å; R156-L160 WeakPolarHBondContact O-CB 3.44Å; R156-L160 VanDerWaalsContact O-CG 3.28Å; R156-L160 WeakPolarHBondContact O-CG 3.11Å; R156-L160 PolarHBondContact O-N 2.82Å; L160-N164 WeakPolarHBondContact O-CB 3.31Å; L160-N164 PolarHBondContact O-N 3.05Å
161R95.9Very high95.4Very high156 Ų156100.2 Ų100.259%0.58948%0.482SS*.Hα-helixtrans-67.2-44.2172.4-76.6168.9174150.9-2.7111.8L157 Q158 E159 N164 E165L157-R161 VanDerWaalsContact O-CG 3.3Å; L157-R161 WeakPolarHBondContact O-CG 3.36Å; L157-R161 PolarHBondContact O-N 3.43Å; L157-R161 VanDerWaalsContact O-N 3.08Å; Q158-R161 WeakPolarHBondContact O-CB 3.22Å; Q158-R161 PolarHBondContact O-N 3.5Å; E159-R161 VanDerWaalsContact C-N 3.27Å; E159-R161 PolarHBondContact O-N 3.05Å; R161-N164 PolarHBondContact O-N 3.14Å; R161-E165 PolarHBondContact O-N 2.86Å
162Q96.1Very high95.4Very high118 Ų11899.7 Ų99.755%0.55149%0.486SS*.Hα-helixtrans-62.7-43.1177.4-167.4-177.6126.300111.7Q158 E159 N164 E165 I166Q158-Q162 PolarHBondContact O-N 2.88Å; E159-Q162 PolarHBondContact O-N 2.9Å; E159-Q162 VanDerWaalsContact O-N 3.08Å; Q162-N164 VanDerWaalsContact C-N 3.34Å; Q162-N164 PolarHBondContact O-N 3.12Å; Q162-E165 PolarHBondContact O-N 2.9Å; Q162-I166 HydrophobicContact CG-CD1 4.4Å; Q162-I166 WeakPolarHBondContact O-CG1 3.31Å; Q162-I166 PolarHBondContact O-N 2.76Å
163Q95.6Very high95.4Very high87 Ų87100 Ų10041%0.40749%0.485SS..Hα-helixtrans-62.5-40.1174.2-68.7-179.84.400111.7E159 I166 L167E159-Q163 WeakPolarHBondContact O-CG 3.35Å; E159-Q163 PolarHBondContact O-N 3.09Å; E159-Q163 PolarHBondContact OE1-NE2 3.28Å; Q163-I166 PolarHBondContact O-N 2.8Å; Q163-L167 WeakPolarHBondContact O-CB 3.42Å; Q163-L167 VanDerWaalsContact O-CG 3.29Å; Q163-L167 WeakPolarHBondContact O-CG 3.4Å; Q163-L167 PolarHBondContact O-N 3.35Å
164N95.3Very high95.3Very high86 Ų86101.8 Ų101.846%0.4649%0.49SS..Hα-helixtrans-63.5-43.5175.7-158-109.4000111.8L160 R161 Q162 I166 L167 W168L160-N164 WeakPolarHBondContact O-CB 3.31Å; L160-N164 PolarHBondContact O-N 3.05Å; R161-N164 PolarHBondContact O-N 3.14Å; Q162-N164 VanDerWaalsContact C-N 3.34Å; Q162-N164 PolarHBondContact O-N 3.12Å; N164-I166 VanDerWaalsContact C-N 3.32Å; N164-I166 PolarHBondContact O-N 2.91Å; N164-L167 PolarHBondContact O-N 2.85Å; N164-W168 PolarHBondContact O-N 3.03Å; N164-W168 VanDerWaalsContact OD1-CD1 3.27Å; N164-W168 PolarHBondContact OD1-NE1 2.84Å
165E94Very high95.2Very high101 Ų101100.7 Ų100.747%0.47248%0.482SS..Hα-helixtrans-63.3-30.7173.7-78.6-66.5149.800113.8R161 Q162 R169R161-E165 PolarHBondContact O-N 2.86Å; Q162-E165 PolarHBondContact O-N 2.9Å; E165-R169 WeakPolarHBondContact O-CG 3.3Å; E165-R169 PolarHBondContact O-N 3.15Å; E165-R169 PolarHBondContact O-NE 3.03Å
166I95.9Very high95.1Very high62 Ų62104.9 Ų104.932%0.31849%0.492SS..Hα-helixtrans-69.8-51.8170.9-67.8163.2000109.6Q162 Q163 N164 W168 R169 E170Q162-I166 HydrophobicContact CG-CD1 4.4Å; Q162-I166 WeakPolarHBondContact O-CG1 3.31Å; Q162-I166 PolarHBondContact O-N 2.76Å; Q163-I166 PolarHBondContact O-N 2.8Å; N164-I166 VanDerWaalsContact C-N 3.32Å; N164-I166 PolarHBondContact O-N 2.91Å; I166-W168 VanDerWaalsContact C-N 3.31Å; I166-W168 PolarHBondContact O-N 3.4Å; I166-R169 VanDerWaalsContact CG1-NH2 3.31Å; I166-R169 PolarHBondContact O-N 3.44Å; I166-R169 VanDerWaalsContact O-N 3.08Å; I166-E170 HydrophobicContact CG2-CG 4.44Å; I166-E170 PolarHBondContact O-N 2.98Å
167L94.9Very high94.9Very high94 Ų9498.8 Ų98.849%0.49248%0.478SS..Hα-helixtrans-58.8-38.4-179.7-71.1167.3000112.6Q163 N164 E170 V171Q163-L167 WeakPolarHBondContact O-CB 3.42Å; Q163-L167 VanDerWaalsContact O-CG 3.29Å; Q163-L167 WeakPolarHBondContact O-CG 3.4Å; Q163-L167 PolarHBondContact O-N 3.35Å; N164-L167 PolarHBondContact O-N 2.85Å; L167-E170 PolarHBondContact O-N 3.05Å; L167-V171 WeakPolarHBondContact O-CB 3Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.41Å; L167-V171 PolarHBondContact O-N 2.84Å
168W93.1Very high94.8Very high101 Ų10198.5 Ų98.538%0.38348%0.475SS..Hα-helixtrans-61.6-45.3173.8-82.9115.9000112.5N164 I166 E170 V171 V172 L413N164-W168 PolarHBondContact O-N 3.03Å; N164-W168 VanDerWaalsContact OD1-CD1 3.27Å; N164-W168 PolarHBondContact OD1-NE1 2.84Å; I166-W168 VanDerWaalsContact C-N 3.31Å; I166-W168 PolarHBondContact O-N 3.4Å; W168-E170 VanDerWaalsContact C-N 3.35Å; W168-E170 PolarHBondContact O-N 2.88Å; W168-V171 PolarHBondContact O-N 2.82Å; W168-V172 WeakPolarHBondContact O-CG2 3.42Å; W168-V172 PolarHBondContact O-N 2.53Å; W168-L413 HydrophobicContact CH2-CD2 3.78Å; W168-L413 HydrophobicContact CZ3-CD2 4.1Å
169R95.4Very high94.5Very high148 Ų14895.4 Ų95.456%0.55847%0.467SS*.Hα-helixtrans-65.3-38.1177.6-74176.7-72.6160.2-2.7112E165 I166 T173E165-R169 WeakPolarHBondContact O-CG 3.3Å; E165-R169 PolarHBondContact O-N 3.15Å; E165-R169 PolarHBondContact O-NE 3.03Å; I166-R169 VanDerWaalsContact CG1-NH2 3.31Å; I166-R169 PolarHBondContact O-N 3.44Å; I166-R169 VanDerWaalsContact O-N 3.08Å; R169-T173 WeakPolarHBondContact O-CB 3.44Å; R169-T173 PolarHBondContact O-N 2.92Å; R169-T173 PolarHBondContact O-OG1 3.05Å
170E95.5Very high94.4Very high102 Ų10294.6 Ų94.648%0.47746%0.463SS..Hα-helixtrans-64.4-47.3173-70.4179.9-18000111.6I166 L167 W168 V172 T173 L174I166-E170 HydrophobicContact CG2-CG 4.44Å; I166-E170 PolarHBondContact O-N 2.98Å; L167-E170 PolarHBondContact O-N 3.05Å; W168-E170 VanDerWaalsContact C-N 3.35Å; W168-E170 PolarHBondContact O-N 2.88Å; E170-V172 PolarHBondContact O-N 2.7Å; E170-T173 PolarHBondContact O-N 3.05Å; E170-L174 WeakPolarHBondContact O-CB 3.33Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 3.46Å; E170-L174 PolarHBondContact O-N 2.92Å
171V95.4Very high94.2Very high60 Ų6095.4 Ų95.436%0.36447%0.465SS..Hα-helixtrans-60.6-42.9177.3167.10000111.9L167 W168 L174 R175L167-V171 WeakPolarHBondContact O-CB 3Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.41Å; L167-V171 PolarHBondContact O-N 2.84Å; W168-V171 PolarHBondContact O-N 2.82Å; V171-L174 PolarHBondContact O-N 3.3Å; V171-R175 WeakPolarHBondContact O-CB 3.33Å; V171-R175 WeakPolarHBondContact O-CG 3.26Å; V171-R175 PolarHBondContact O-N 3.09Å
172V94.1Very high94.1Very high88 Ų8892.8 Ų92.853%0.53346%0.459SS..Hα-helixtrans-63.1-45.2175.5169.40000110.9W168 E170 L174 R175 Q176W168-V172 WeakPolarHBondContact O-CG2 3.42Å; W168-V172 PolarHBondContact O-N 2.53Å; E170-V172 PolarHBondContact O-N 2.7Å; V172-L174 PolarHBondContact O-N 3.4Å; V172-R175 PolarHBondContact O-N 2.73Å; V172-Q176 PolarHBondContact O-N 2.94Å
173T94.4Very high93.9Very high86 Ų8693.5 Ų93.553%0.52846%0.457SS..Hα-helixtrans-62.5-43.3178-55.90000111.6R169 E170 Q176 S177R169-T173 WeakPolarHBondContact O-CB 3.44Å; R169-T173 PolarHBondContact O-N 2.92Å; R169-T173 PolarHBondContact O-OG1 3.05Å; E170-T173 PolarHBondContact O-N 3.05Å; T173-Q176 PolarHBondContact O-N 3.29Å; T173-S177 WeakPolarHBondContact O-CB 3.32Å; T173-S177 PolarHBondContact O-N 3.22Å
174L93.7Very high93.8Very high119 Ų11991.8 Ų91.862%0.62345%0.452SS*.Hα-helixtrans-63.9-42.4175.8-72.7167.7000111.7E170 V171 V172 S177 H178E170-L174 WeakPolarHBondContact O-CB 3.33Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 3.46Å; E170-L174 PolarHBondContact O-N 2.92Å; V171-L174 PolarHBondContact O-N 3.3Å; V172-L174 PolarHBondContact O-N 3.4Å; L174-S177 PolarHBondContact O-N 3.31Å; L174-H178 VanDerWaalsContact O-CB 3.25Å; L174-H178 WeakPolarHBondContact O-CB 3.46Å; L174-H178 PolarHBondContact O-N 3.46Å
175R94.2Very high93.7Very high70 Ų7091.7 Ų91.726%0.26445%0.451SS..Hα-helixtrans-61.8-43.8174.3-78.7-175.9179.6-129.8-4.7112.3V171 V172 H178 S179 D410 L413V171-R175 WeakPolarHBondContact O-CB 3.33Å; V171-R175 WeakPolarHBondContact O-CG 3.26Å; V171-R175 PolarHBondContact O-N 3.09Å; V172-R175 PolarHBondContact O-N 2.73Å; R175-H178 PolarHBondContact O-N 3.42Å; R175-S179 WeakPolarHBondContact O-CB 3.42Å; R175-S179 PolarHBondContact O-N 2.76Å; R175-D410 IonicContact CZ-OD1 2.71Å; R175-D410 IonicContact NH1-OD1 3.08Å; R175-D410 PolarHBondContact NH1-OD1 3.38Å; R175-L413 VanDerWaalsContact CZ-CD1 3.48Å
176Q93.3Very high93.5Very high143 Ų14388.6 Ų88.667%0.66845%0.446SS*.Hα-helixtrans-63.5-45.2177.4-169.6-177.915.300111.5V172 T173 S179 Q180V172-Q176 PolarHBondContact O-N 2.94Å; T173-Q176 PolarHBondContact O-N 3.29Å; Q176-S179 PolarHBondContact O-N 2.76Å; Q176-Q180 PolarHBondContact O-N 2.82Å
177S92.7Very high93.2Very high61 Ų6189.4 Ų89.443%0.42745%0.447SS..Hα-helixtrans-60.3-47.1175.4-174.50000111.8T173 L174 S179 Q180 Q181T173-S177 WeakPolarHBondContact O-CB 3.32Å; T173-S177 PolarHBondContact O-N 3.22Å; L174-S177 PolarHBondContact O-N 3.31Å; S177-S179 PolarHBondContact O-N 2.83Å; S177-Q180 PolarHBondContact O-N 3.15Å; S177-Q181 WeakPolarHBondContact O-CG 3.46Å; S177-Q181 PolarHBondContact O-N 2.88Å
178H93.9Very high93.1Very high74 Ų7488.9 Ų88.934%0.34344%0.444SS..Hα-helixtrans-59.1-44.3175179.9-115.6000112.1L174 R175 Q180 Q181 H182L174-H178 VanDerWaalsContact O-CB 3.25Å; L174-H178 WeakPolarHBondContact O-CB 3.46Å; L174-H178 PolarHBondContact O-N 3.46Å; R175-H178 PolarHBondContact O-N 3.42Å; H178-Q180 PolarHBondContact O-N 3.38Å; H178-Q181 WeakPolarHBondContact O-CB 3.49Å; H178-Q181 PolarHBondContact O-N 2.98Å; H178-H182 AromaticContact CD2-CD2 3.7Å; H178-H182 AromaticContact CD2-NE2 3.63Å; H178-H182 AromaticContact CE1-CD2 3.48Å; H178-H182 PolarHBondContact CE1-CD2 3.22Å; H178-H182 VanDerWaalsContact CE1-CD2 3.48Å; H178-H182 AromaticContact CE1-NE2 3.24Å; H178-H182 PolarHBondContact CE1-NE2 2.9Å; H178-H182 AromaticContact CG-CD2 3.9Å; H178-H182 AromaticContact ND1-CD2 3.76Å; H178-H182 AromaticContact ND1-NE2 3.98Å; H178-H182 AromaticContact NE2-CD2 3.42Å; H178-H182 PolarHBondContact NE2-CD2 2.92Å; H178-H182 AromaticContact NE2-NE2 2.94Å; H178-H182 PolarHBondContact NE2-NE2 2.82Å; H178-H182 PolarHBondContact O-CD2 3.09Å; H178-H182 VanDerWaalsContact O-CD2 3.24Å; H178-H182 PolarHBondContact O-N 3.43Å
179S90.6Very high93Very high65 Ų6588.3 Ų88.346%0.45545%0.448SS..Hα-helixtrans-62.5-41.4176.3-172.70000112.5R175 Q176 S177 H182 R183R175-S179 WeakPolarHBondContact O-CB 3.42Å; R175-S179 PolarHBondContact O-N 2.76Å; Q176-S179 PolarHBondContact O-N 2.76Å; S177-S179 PolarHBondContact O-N 2.83Å; S179-H182 PolarHBondContact O-N 3.07Å; S179-R183 WeakPolarHBondContact O-CB 3.47Å; S179-R183 PolarHBondContact O-N 3.16Å
180Q92.8Very high92.5Very high72 Ų7288 Ų8834%0.33645%0.453SS..Hα-helixtrans-68.5-36.2174.7-171.870-1500111.9Q176 S177 H178 R183 V184 E215Q176-Q180 PolarHBondContact O-N 2.82Å; S177-Q180 PolarHBondContact O-N 3.15Å; H178-Q180 PolarHBondContact O-N 3.38Å; Q180-R183 WeakPolarHBondContact O-CB 3.23Å; Q180-R183 PolarHBondContact O-N 3.35Å; Q180-V184 WeakPolarHBondContact O-CG2 3.44Å; Q180-V184 PolarHBondContact O-N 3.4Å; Q180-E215 PolarHBondContact NE2-OE1 3.01Å
181Q92.6Very high92Very high110 Ų11087 Ų8751%0.51446%0.456SS..Hα-helixtrans-62.1-47.5171.8-72.8175.29.400111.4S177 H178 R183 V184 I185S177-Q181 WeakPolarHBondContact O-CG 3.46Å; S177-Q181 PolarHBondContact O-N 2.88Å; H178-Q181 WeakPolarHBondContact O-CB 3.49Å; H178-Q181 PolarHBondContact O-N 2.98Å; Q181-R183 VanDerWaalsContact C-N 3.29Å; Q181-R183 PolarHBondContact O-N 3.03Å; Q181-V184 PolarHBondContact O-N 3.45Å; Q181-V184 VanDerWaalsContact O-N 3.15Å; Q181-I185 WeakPolarHBondContact O-CB 3.31Å; Q181-I185 VanDerWaalsContact O-CG1 3.27Å; Q181-I185 WeakPolarHBondContact O-CG1 3.32Å; Q181-I185 PolarHBondContact O-N 3.24Å
182H92.7Very high91.7Very high101 Ų10190.1 Ų90.147%0.46847%0.47SS..Hα-helixtrans-59-39.1173.6-84.8-73.8000112.3H178 S179 I185 G186H178-H182 AromaticContact CD2-CD2 3.7Å; H178-H182 AromaticContact CD2-NE2 3.63Å; H178-H182 AromaticContact CE1-CD2 3.48Å; H178-H182 PolarHBondContact CE1-CD2 3.22Å; H178-H182 VanDerWaalsContact CE1-CD2 3.48Å; H178-H182 AromaticContact CE1-NE2 3.24Å; H178-H182 PolarHBondContact CE1-NE2 2.9Å; H178-H182 AromaticContact CG-CD2 3.9Å; H178-H182 AromaticContact ND1-CD2 3.76Å; H178-H182 AromaticContact ND1-NE2 3.98Å; H178-H182 AromaticContact NE2-CD2 3.42Å; H178-H182 PolarHBondContact NE2-CD2 2.92Å; H178-H182 AromaticContact NE2-NE2 2.94Å; H178-H182 PolarHBondContact NE2-NE2 2.82Å; H178-H182 PolarHBondContact O-CD2 3.09Å; H178-H182 VanDerWaalsContact O-CD2 3.24Å; H178-H182 PolarHBondContact O-N 3.43Å; S179-H182 PolarHBondContact O-N 3.07Å; H182-I185 PolarHBondContact O-N 2.96Å; H182-G186 PolarHBondContact O-N 2.88Å
183R92.2Very high91.1Very high133 Ų13392.1 Ų92.150%0.50247%0.472SS..Hα-helixtrans-63-41.7174.4-170.6-174.5-65.1179-4.5112.3S179 Q180 Q181 K187S179-R183 WeakPolarHBondContact O-CB 3.47Å; S179-R183 PolarHBondContact O-N 3.16Å; Q180-R183 WeakPolarHBondContact O-CB 3.23Å; Q180-R183 PolarHBondContact O-N 3.35Å; Q181-R183 VanDerWaalsContact C-N 3.29Å; Q181-R183 PolarHBondContact O-N 3.03Å; R183-K187 WeakPolarHBondContact O-CG 3.25Å; R183-K187 PolarHBondContact O-N 3.24Å
184V93Very high89.9Confident51 Ų5190.3 Ų90.331%0.30947%0.47SS..Hα-helixtrans-69.4-44.3176.3171.70000111.2Q180 Q181 G186 K187 L188Q180-V184 WeakPolarHBondContact O-CG2 3.44Å; Q180-V184 PolarHBondContact O-N 3.4Å; Q181-V184 PolarHBondContact O-N 3.45Å; Q181-V184 VanDerWaalsContact O-N 3.15Å; V184-G186 PolarHBondContact O-N 3.15Å; V184-K187 PolarHBondContact O-N 2.99Å; V184-L188 HydrophobicContact CG1-CD1 4.06Å; V184-L188 HydrophobicContact CG1-CG 4.45Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 3.03Å
185I92.6Very high88.6Confident85 Ų8588.2 Ų88.244%0.43646%0.464SS..Hα-helixtrans-61.3-44.2176.1-68.5164.6000110.4Q181 H182 K187 L188 I189Q181-I185 WeakPolarHBondContact O-CB 3.31Å; Q181-I185 VanDerWaalsContact O-CG1 3.27Å; Q181-I185 WeakPolarHBondContact O-CG1 3.32Å; Q181-I185 PolarHBondContact O-N 3.24Å; H182-I185 PolarHBondContact O-N 2.96Å; I185-K187 PolarHBondContact O-N 3.21Å; I185-L188 PolarHBondContact O-N 3.35Å; I185-L188 VanDerWaalsContact O-N 3.15Å; I185-I189 HydrophobicContact CG2-CD1 3.77Å; I185-I189 HydrophobicContact CG2-CG1 4.37Å; I185-I189 VanDerWaalsContact O-CG1 3.32Å; I185-I189 WeakPolarHBondContact O-CG1 3.42Å; I185-I189 PolarHBondContact O-N 3.44Å
186G90.5Very high86.8Confident36 Ų3691.2 Ų91.237%0.37148%0.484SS..Hα-helixtrans-58.9-44.8174.100000112.8H182 V184 I189 Q190H182-G186 PolarHBondContact O-N 2.88Å; V184-G186 PolarHBondContact O-N 3.15Å; G186-I189 PolarHBondContact O-N 2.91Å; G186-Q190 WeakPolarHBondContact O-CB 3.48Å; G186-Q190 PolarHBondContact O-N 2.82Å
187K90Very high85Confident78 Ų7893.3 Ų93.334%0.33949%0.494SS..Hα-helixtrans-61.1-41.8172.3-75.5178.7178.1-177.70112R183 V184 I185 Q190 C191 L213R183-K187 WeakPolarHBondContact O-CG 3.25Å; R183-K187 PolarHBondContact O-N 3.24Å; V184-K187 PolarHBondContact O-N 2.99Å; I185-K187 PolarHBondContact O-N 3.21Å; K187-Q190 PolarHBondContact O-N 3.35Å; K187-C191 WeakPolarHBondContact O-CB 3.34Å; K187-C191 PolarHBondContact O-N 2.87Å; K187-C191 PolarHBondContact O-SG 2.92Å; K187-L213 HydrophobicContact CD-CD2 3.65Å
188L92.6Very high83.1Confident83 Ų8395.4 Ų95.444%0.43550%0.504SS..Hα-helixtrans-65.3-44.5177.8-71.4169.5000112.1V184 I185 Q190 C191 L192V184-L188 HydrophobicContact CG1-CD1 4.06Å; V184-L188 HydrophobicContact CG1-CG 4.45Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 3.03Å; I185-L188 PolarHBondContact O-N 3.35Å; I185-L188 VanDerWaalsContact O-N 3.15Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.1Å; L188-C191 PolarHBondContact O-N 3.34Å; L188-L192 WeakPolarHBondContact O-CB 3.4Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.07Å
189I90.9Very high80.6Confident90 Ų9094.8 Ų94.846%0.46252%0.518SS..Hα-helixtrans-59.9-45.4173.4-68.3169.2000110I185 G186 C191 L192 F193I185-I189 HydrophobicContact CG2-CD1 3.77Å; I185-I189 HydrophobicContact CG2-CG1 4.37Å; I185-I189 VanDerWaalsContact O-CG1 3.32Å; I185-I189 WeakPolarHBondContact O-CG1 3.42Å; I185-I189 PolarHBondContact O-N 3.44Å; G186-I189 PolarHBondContact O-N 2.91Å; I189-C191 VanDerWaalsContact C-N 3.33Å; I189-C191 PolarHBondContact O-N 2.81Å; I189-L192 PolarHBondContact O-N 3.07Å; I189-F193 HydrophobicContact CG2-CD2 3.86Å; I189-F193 HydrophobicContact CG2-CE2 4.37Å; I189-F193 WeakPolarHBondContact O-CD2 3.38Å; I189-F193 PolarHBondContact O-N 3.28Å
190Q85.7Confident78.5Confident142 Ų14298.6 Ų98.666%0.66454%0.541SS*.Hα-helixtrans-61.5-39.1176.8-169.2179.31600112.4G186 K187 L188 G194G186-Q190 WeakPolarHBondContact O-CB 3.48Å; G186-Q190 PolarHBondContact O-N 2.82Å; K187-Q190 PolarHBondContact O-N 3.35Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.1Å; Q190-G194 VanDerWaalsContact O-CA 3.26Å; Q190-G194 WeakPolarHBondContact O-CA 3.3Å; Q190-G194 PolarHBondContact O-N 2.81Å
191C85.1Confident76.2Confident79 Ų79100.3 Ų100.353%0.53456%0.561SS.*Hα-helixtrans-67.5-37174.4-74.70000113.3K187 L188 I189 P195K187-C191 WeakPolarHBondContact O-CB 3.34Å; K187-C191 PolarHBondContact O-N 2.87Å; K187-C191 PolarHBondContact O-SG 2.92Å; L188-C191 PolarHBondContact O-N 3.34Å; I189-C191 VanDerWaalsContact C-N 3.33Å; I189-C191 PolarHBondContact O-N 2.81Å; C191-P195 WeakPolarHBondContact O-CD 3.39Å
192L87.7Confident74.1Confident126 Ų126100 Ų10066%0.6657%0.571SS**Hα-helixtrans-76.2-40.7-178.8-72168.8000112.9L188 I189L188-L192 WeakPolarHBondContact O-CB 3.4Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.07Å; I189-L192 PolarHBondContact O-N 3.07Å
193F82.3Confident72.1Confident131 Ų131101.5 Ų101.558%0.57559%0.587SS**Hα-helixtrans-104.5-26.1-173.2-66.1-80.1000114.4I189 L196I189-F193 HydrophobicContact CG2-CD2 3.86Å; I189-F193 HydrophobicContact CG2-CE2 4.37Å; I189-F193 WeakPolarHBondContact O-CD2 3.38Å; I189-F193 PolarHBondContact O-N 3.28Å; F193-L196 HydrophobicContact CD1-CD1 4.22Å; F193-L196 WeakPolarHBondContact O-CB 3.46Å; F193-L196 PolarHBondContact O-N 3.4Å
194G69Low69.7Low47 Ų4799.2 Ų99.249%0.48561%0.605SS.*G310 helixtrans-56.4-42.3-177.300000115.3Q190 L196Q190-G194 VanDerWaalsContact O-CA 3.26Å; Q190-G194 WeakPolarHBondContact O-CA 3.3Å; Q190-G194 PolarHBondContact O-N 2.81Å; G194-L196 PolarHBondContact O-N 3.18Å; G194-L196 VanDerWaalsContact O-N 3.12Å
195P67Low67.7Low76 Ų76101.2 Ų101.249%0.49463%0.627SS.*G310 helixtrans-68.8-5-179.9-2335.2000115.9C191 Q197C191-P195 WeakPolarHBondContact O-CD 3.39Å; P195-Q197 VanDerWaalsContact C-N 3.31Å; P195-Q197 PolarHBondContact O-N 3.27Å
196L55.7Low65.7Low133 Ų133107.3 Ų107.370%0.69665%0.65SS**G310 helixtrans-82-5.9-175.6-59.1178.3000113.9F193 G194F193-L196 HydrophobicContact CD1-CD1 4.22Å; F193-L196 WeakPolarHBondContact O-CB 3.46Å; F193-L196 PolarHBondContact O-N 3.4Å; G194-L196 PolarHBondContact O-N 3.18Å; G194-L196 VanDerWaalsContact O-N 3.12Å
197Q55.3Low64Low186 Ų186115.9 Ų115.987%0.86967%0.672SS**  trans-113.755.4177.9-69.2-170.283.100112.9P195P195-Q197 VanDerWaalsContact C-N 3.31Å; P195-Q197 PolarHBondContact O-N 3.27Å
198T52.5Low62.3Low106 Ų106120.9 Ų120.965%0.6569%0.694SS**  trans-130.2115.9162570000110
199G42.2Very low60.4Low61 Ų61125 Ų12563%0.62972%0.715SS**  trans-64.7160.3178.100000113.1S201G199-S201 PolarHBondContact O-N 2.88Å
200P45.6Very low58.5Low145 Ų145124.7 Ų124.794%0.94272%0.721SS**SBendtrans-78.192.2-170.131.2-35.8000112.9
201S46.2Very low56.7Low108 Ų108123.4 Ų123.476%0.75572%0.718SS**  trans-138.2118.5168.363.40000113.2G199G199-S201 PolarHBondContact O-N 2.88Å
202S47Very low55.5Low104 Ų104127 Ų12773%0.72773%0.728SS**  trans61.9103.4161.8-135.30000120.2
203T50.7Low53.7Low131 Ų131125.6 Ų125.680%0.80472%0.721SS**  49.5105.8126.961.10000120.6
204G41.9Very low52.6Low85 Ų85125.4 Ų125.488%0.87673%0.726SS**  91.969.2118.300000120
205A50.4Low51.8Low93 Ų93129 Ų12977%0.76973%0.731SS**  trans-144137.4153.400000111.4R207A205-R207 PolarHBondContact O-N 2.93Å
206K51.5Low50.6Low213 Ų213129.4 Ų129.493%0.92675%0.748SS**  trans-75.3103.2179.3-67.3177.3-179.2175.90110K208K206-K208 PolarHBondContact O-N 3.44Å
207R54.9Low49.9Very low216 Ų216127.7 Ų127.782%0.81575%0.748SS**  trans-71.394.6177.4-66-178.5-176.1158.7-0.4111A205 L209A205-R207 PolarHBondContact O-N 2.93Å; R207-L209 PolarHBondContact O-N 3.37Å
208K54.4Low49.1Very low184 Ų184124.1 Ų124.180%0.875%0.75SS**  trans-77.3109.4165.2-173.9-179-179.5-175.10108.3K206 S210K206-K208 PolarHBondContact O-N 3.44Å; K208-S210 PolarHBondContact O-N 3.34Å; K208-S210 VanDerWaalsContact O-N 3.07Å
209L52.7Low48.3Very low170 Ų170124.7 Ų124.789%0.8976%0.757SS**  trans-70.599.7174.9-84.9164000110.1R207R207-L209 PolarHBondContact O-N 3.37Å
210S50.4Low48.3Very low83 Ų83127.4 Ų127.458%0.5877%0.766SS**  trans-107.590.9166.5-78.50000108.5K208 M212K208-S210 PolarHBondContact O-N 3.34Å; K208-S210 VanDerWaalsContact O-N 3.07Å; S210-M212 VanDerWaalsContact C-N 3.27Å; S210-M212 PolarHBondContact O-N 2.93Å
211L48.6Very low48Very low115 Ų115125 Ų12560%0.60276%0.759SS**  trans-79.477.3176.5-159.9168.8000109L213L211-L213 HydrophobicContact CD2-CD2 4.49Å; L211-L213 HydrophobicContact CD2-CG 4.1Å
212M59.8Low47.8Very low153 Ų153125.6 Ų125.675%0.75476%0.763SS**  trans-90.5116.8170-75.7178.562.200109.4S210 D214S210-M212 VanDerWaalsContact C-N 3.27Å; S210-M212 PolarHBondContact O-N 2.93Å; M212-D214 PolarHBondContact O-N 3.44Å
213L49Very low47.5Very low98 Ų98125.5 Ų125.551%0.51377%0.768SS.*  trans-82.589.7165.3-71.1172.7000108K187 L211K187-L213 HydrophobicContact CD-CD2 3.65Å; L211-L213 HydrophobicContact CD2-CD2 4.49Å; L211-L213 HydrophobicContact CD2-CG 4.1Å
214D60.6Low47.1Very low127 Ų127128 Ų12868%0.67977%0.768SS**PPolyproline II helixtrans-75.7121.6170.9-143.643.9000108.8M212M212-D214 PolarHBondContact O-N 3.44Å
215E51.2Low47.1Very low122 Ų122132.7 Ų132.757%0.5777%0.765SS**PPolyproline II helixtrans-84.5151.4166.4-82.7-78.8128.200108.9Q180 S217Q180-E215 PolarHBondContact NE2-OE1 3.01Å; E215-S217 PolarHBondContact O-N 2.81Å
216G42.6Very low46.6Very low84 Ų84134.9 Ų134.987%0.86676%0.764SS**PPolyproline II helixtrans-67.8123.3-154.100000116.3
217S39.8Very low45.9Very low98 Ų98128.9 Ų128.969%0.68575%0.754SS**  trans-134.5101.3157.1-1660000110.9E215 C219E215-S217 PolarHBondContact O-N 2.81Å; S217-C219 PolarHBondContact O-N 2.94Å
218A38.3Very low45Very low110 Ų110124.6 Ų124.691%0.90976%0.755SS**  trans-90.783.9-177.100000111.7
219C36.8Very low44.2Very low119 Ų119121.1 Ų121.180%0.80475%0.752SS**  trans-115.7113.6176.2-75.60000111.4S217S217-C219 PolarHBondContact O-N 2.94Å
220S41.8Very low43.4Very low117 Ų117119.2 Ų119.282%0.81875%0.746SS**  trans-97.6140.5-178.351.70000113.7
221A40.4Very low42.8Very low95 Ų95120.8 Ų120.879%0.78576%0.757SS**  trans49.683151.500000120
222S41.1Very low42.1Very low120 Ų120118.8 Ų118.884%0.83977%0.765SS**  26104.8130-163.20000119.5
223A39.8Very low41Very low103 Ų103116.5 Ų116.585%0.85177%0.771SS**  trans-138.7150.3155.200000110.2
224K43.3Very low40.4Very low183 Ų183119.2 Ų119.280%0.79679%0.785SS**  trans-103.7160.9-159.2-59.4161-177.5167.70113.9
225F40.9Very low39.5Very low183 Ų183121.4 Ų121.480%0.80380%0.796SS**  trans92.6126.5155.8-78.4-76.1000121.9
226N40Very low38.9Very low140 Ų140124.3 Ų124.375%0.74981%0.809SS**  trans69.993.2146.2-69.6-6.5000123
227A38.2Very low38.7Very low87 Ų87127 Ų12772%0.71980%0.803SS**  84.7131.310600000122.4
228C36.4Very low38.6Very low125 Ų125127.3 Ų127.385%0.84580%0.803SS**  trans78.4148.2155.4-67.50000118.9
229P37.2Very low38.7Very low112 Ų112132.1 Ų132.173%0.72780%0.799SS**  trans-141179.1-131.144.3-26.2000117.4
230V34.5Very low39Very low129 Ų129135.1 Ų135.178%0.78280%0.799SS**  trans62.2105164-167.90000117.5
231S38.4Very low38.9Very low116 Ų116137.3 Ų137.381%0.81180%0.8SS**  174.7138.4119.1-79.20000113.4
232G33.9Very low38.9Very low74 Ų74140.4 Ų140.476%0.76380%0.798SS**  trans74.8122.914000000120.2
233A36.5Very low38.7Very low105 Ų105139.6 Ų139.687%0.86879%0.793SS**  trans55.2120.6156.500000119.5
234L36.4Very low38.8Very low154 Ų154140.6 Ų140.681%0.80679%0.791SS**  170.8102.8110.5-169.7161.1000109.9
235L42.8Very low38.7Very low174 Ų174139 Ų13991%0.91179%0.79SS**  trans-144.799.5151.7-85.5-177.9000106.8
236Q37.7Very low38.7Very low182 Ų182135.9 Ų135.985%0.8579%0.788SS**  trans-99124.6165.2-79-178.5-27.100107.7
237D37.7Very low38.7Very low140 Ų140138 Ų13875%0.74979%0.793SS**  trans-88.5119.4-177-158.3-6.1000109.4Y239D237-Y239 VanDerWaalsContact C-N 3.27Å; D237-Y239 PolarHBondContact O-N 3.41Å
238P38.4Very low38.4Very low106 Ų106140.2 Ų140.269%0.68880%0.798SS**THydrogen-bonded Turntrans-8541.9-157.234.8-38.8000115.1
239Y41.5Very low38.5Very low210 Ų210140.9 Ų140.982%0.82480%0.799SS**THydrogen-bonded Turntrans-132.314.3-178.7-76-74.3000116D237D237-Y239 VanDerWaalsContact C-N 3.27Å; D237-Y239 PolarHBondContact O-N 3.41Å
240F41.9Very low38.6Very low182 Ų182142.1 Ų142.180%0.79880%0.804SS**  trans-97.6101.9171.2-97.8-86.8000112.7Q242F240-Q242 HydrophobicContact CD1-CG 4.4Å
241I40.5Very low38.6Very low163 Ų163139.2 Ų139.284%0.83680%0.8SS**  trans-92.4100.5160.4-61.5178.2000107.9S243I241-S243 PolarHBondContact O-N 3.41Å
242Q40.1Very low38.6Very low160 Ų160141.7 Ų141.775%0.74880%0.803SS**  trans-81.6111.8170.6-67.1-178.3-0.300109.3F240 P244F240-Q242 HydrophobicContact CD1-CG 4.4Å; Q242-P244 WeakPolarHBondContact O-CD 3.48Å
243S36.4Very low38.8Very low104 Ų104143.5 Ų143.573%0.72781%0.805SS**PPolyproline II helixtrans-71.3120.7168.2-69.90000109.9I241I241-S243 PolarHBondContact O-N 3.41Å
244P42.6Very low39.1Very low124 Ų124143.3 Ų143.381%0.80579%0.794SS**PPolyproline II helixtrans-69.1136.2-179.7-2134.3000112.8Q242Q242-P244 WeakPolarHBondContact O-CD 3.48Å
245L41.7Very low39.4Very low149 Ų149144.7 Ų144.778%0.7880%0.796SS**PPolyproline II helixtrans-75.6132.9166.9-17574.6000109.3E247L245-E247 PolarHBondContact O-N 2.89Å
246P40.1Very low39.3Very low118 Ų118148 Ų14877%0.76680%0.797SS**  trans-84.7104.9176.331.8-31.6000111.1
247E40Very low39.6Very low183 Ų183144.1 Ų144.186%0.85580%0.795SS**  trans-85.3136.5168.7-72.2-160.4107.700112.3L245 T249L245-E247 PolarHBondContact O-N 2.89Å; E247-T249 PolarHBondContact O-N 3.19Å
248T31.8Very low39.8Very low134 Ų134149.7 Ų149.782%0.82281%0.806SS**  trans-67.1123-175.7-55.80000112.9
249T39.4Very low40.2Very low140 Ų140147.8 Ų147.886%0.85981%0.805SS**  trans-153.5138.4150.3-77.40000112.5E247E247-T249 PolarHBondContact O-N 3.19Å
250V37.8Very low40.9Very low138 Ų138144.1 Ų144.184%0.83681%0.807SS**  trans-70.2139.2-176.4-178.10000112.5
251G35Very low41.3Very low68 Ų68142.7 Ų142.770%0.70181%0.806SS**  trans179.868.7175.600000120.2
252L38.4Very low41.6Very low167 Ų167143 Ų14387%0.87481%0.808SS**  trans3496.9147.3-57.3174.2000121
253S39.1Very low42.1Very low113 Ų113139.3 Ų139.379%0.7980%0.8SS**  47.3155.5114.1-127.70000122.6
254P42.6Very low42.7Very low100 Ų100141 Ų14165%0.64980%0.8SS**  -134.9173.4-78.440.5-25000113.2
255H41Very low43Very low183 Ų183143 Ų14385%0.84780%0.803SS**  trans-171.2123.2146.6-94.3-10000116.7
256R41.8Very low43.8Very low245 Ų245141.5 Ų141.593%0.92580%0.802SS**  trans39.5107.2146-70.3-178.9165.4176.7-2.9122.3
257A44.5Very low43.9Very low99 Ų99145.3 Ų145.382%0.81881%0.81SS**  -157.2101.6128.100000109.3
258R41.4Very low44.2Very low258 Ų258143.7 Ų143.797%0.97481%0.807SS**  57.392.294.1-99.6-171.7170.6177.3-3115.7
259G47.6Very low44.5Very low65 Ų65143 Ų14367%0.6781%0.806SS**  trans-121.6166.5155.800000110.8
260P55.9Low44.9Very low133 Ų133141.4 Ų141.486%0.86480%0.798SS**PPolyproline II helixtrans-78.9149.8-165.2-1632.3000115.4
261I48.9Very low44.9Very low153 Ų153140.3 Ų140.379%0.78580%0.797SS**PPolyproline II helixtrans-99.1133.6168.6-62.6167000107.8
262I47.7Very low45.5Very low170 Ų170142.7 Ų142.787%0.87280%0.8SS**PPolyproline II helixtrans-103.7127.4162.3-61.5179000106.8
263S49.8Very low45.6Very low82 Ų82144.2 Ų144.257%0.57380%0.802SS**  trans-109.2136.9-176.4-126.10000110.5
264D48.8Very low45.6Very low139 Ų139142 Ų14274%0.74380%0.797SS**  trans53.5109.3145.6-45.7-51000119.4
265I49.5Very low45.6Very low166 Ų166146.3 Ų146.385%0.85181%0.808SS**  trans-115123.5147-63.6178.7000106.4
266P59.3Low45.3Very low118 Ų118149 Ų14977%0.76681%0.811SS**  trans-72.4149.5-174.3-18.431.9000114
267E42.6Very low45.2Very low198 Ų198145.3 Ų145.393%0.92581%0.808SS**  trans-75.5139.8153.2-61.8-168.3117.600109.6
268D45.6Very low44.8Very low149 Ų149146 Ų14680%0.79781%0.807SS**  trans-137.9134.8160.9-173.918.2000109.5
269C37.6Very low44.9Very low120 Ų120139.6 Ų139.681%0.81180%0.799SS**  trans-165.2106.7-176.4-174.60000111.4
270P47.4Very low44.3Very low105 Ų105142.2 Ų142.268%0.68281%0.807SS**  trans-121.6118.6164.731.7-17.9000112.6
271S37.6Very low43.7Very low116 Ų116141.8 Ų141.881%0.81181%0.807SS**  trans-86.3141.2162.7-172.30000110.2
272P49.2Very low43.2Very low118 Ų118139.8 Ų139.877%0.76681%0.813SS**  trans-113.9165.9161.535.5-26.1000113
273E40Very low42.8Very low199 Ų199135.1 Ų135.193%0.9381%0.808SS**  trans-98.6168.5-168.6-54.2173.3105.100114.1
274G39.3Very low42.3Very low65 Ų65142.7 Ų142.767%0.6782%0.824SS**  trans104.7143.9166.800000114.5
275H41.3Very low41.7Very low192 Ų192147.3 Ų147.389%0.88983%0.831SS**  cis-138.1160.26.4-75.9-98000112.5
276R35.4Very low41.2Very low239 Ų239146.2 Ų146.290%0.90283%0.831SS**  trans-53.6150.6165.1-70.4171.1159.1-171.8-4.7111.8
277L39.7Very low40.1Very low167 Ų167150.2 Ų150.287%0.87484%0.837SS**  -164.2142.6118.7-101.3179.2000111.3
278S35.5Very low39.9Very low114 Ų114144.6 Ų144.680%0.79783%0.832SS**  trans-146.9139.9172.5-55.40000110.7
279P44.1Very low39.4Very low123 Ų123145.7 Ų145.780%0.79984%0.837SS**  -133.2140.4128.328.5-13.1000110.6
280S35.2Very low39.7Very low121 Ų121144.5 Ų144.585%0.84684%0.836SS**  74.199.252.9-165.80000114
281S43.3Very low39.3Very low123 Ų123147.9 Ų147.986%0.8685%0.847SS**  trans-150.2129.1158.663.80000109.3
282A37.5Very low39.2Very low111 Ų111150 Ų15092%0.91785%0.849SS**  trans-108.2146.5-172.700000113.4
283G39.8Very low39.1Very low73 Ų73154.1 Ų154.175%0.75386%0.855SS**  trans-176.879.7175.300000110.8
284R38.8Very low39.2Very low241 Ų241152.9 Ų152.991%0.90985%0.849SS**  71.5112.693.1-177.6173.1-79.5-117.83.5114
285R37.5Very low39.4Very low235 Ų235158.4 Ų158.489%0.88786%0.857SS**  trans-33.7147.8166.4-61.3174.9-86.6-170.5-8.3115.4
286V39.4Very low39.6Very low143 Ų143155 Ų15587%0.86785%0.852SS**  -154.8151.8117.21400000109.1
287K36.4Very low39.9Very low202 Ų202148.3 Ų148.388%0.87885%0.848SS**  trans-95.4139.3173.2-65.1178.4176.6-177.20109.6
288G37.3Very low40Very low80 Ų80145.9 Ų145.983%0.82585%0.845SS**  trans-111.4131.916800000110.9
289L35.2Very low40.4Very low172 Ų172146.9 Ų146.990%0.90185%0.849SS**  trans-121.8125.5175.1-80.5160.1000108.9
290A44.2Very low40Very low96 Ų96145 Ų14579%0.79385%0.851SS**  trans-149.2101.4162.600000105.6
291L39.5Very low40.1Very low175 Ų175142.9 Ų142.992%0.91685%0.849SS**  82.6118.173.8-16975.1000111
292L34.9Very low39.7Very low161 Ų161145.3 Ų145.384%0.84385%0.853SS**  trans-77.3155.7-174.5-58.9167.6000112.1
293K47.9Very low39.7Very low205 Ų205143.9 Ų143.989%0.89185%0.849SS**  trans-149.9123.4147-174.9163.6-178.91760110.4
294E41.1Very low39.4Very low172 Ų172150.1 Ų150.180%0.80486%0.858SS**  trans-89.4161.5173.1-69.1179.397.400112.1
295E43.3Very low39.4Very low181 Ų181143.5 Ų143.585%0.84686%0.855SS**  trans-93.2160.3159.4-86.4-132.1106.400110.9
296P46.2Very low39.1Very low120 Ų120135.9 Ų135.978%0.77985%0.849SS**  trans-144.4135.6137.435.1-19.9000114.8
297A41.9Very low38.9Very low99 Ų99137.4 Ų137.482%0.81885%0.852SS**  160.4124.4109.700000113.5
298S41.6Very low38.6Very low116 Ų116132.6 Ų132.681%0.81185%0.85SS**  trans-85.3165.1155.8-44.30000109.7
299P42.4Very low38.7Very low135 Ų135137 Ų13788%0.87785%0.853SS**  -155.7174.187.841.2-23000116.9
300G35.7Very low39Very low83 Ų83132.5 Ų132.586%0.85684%0.841SS**  trans117131.615000000116.5
301G38.7Very low38.7Very low78 Ų78133.3 Ų133.380%0.80484%0.838SS**  trans148.368.5171.400000115.5
302D34.5Very low38.8Very low174 Ų174132.7 Ų132.793%0.9384%0.836SS**  trans-69.4146.9171.7-56.8-85.7000112.2
303G37.6Very low39Very low81 Ų81133.7 Ų133.784%0.83584%0.836SS**  trans-167.285.5-176.500000113.3
304E33Very low38.6Very low203 Ų203129 Ų12995%0.94983%0.828SS**  trans-81122.6-179.7-174.4-173128.500112.2
305A38.9Very low38.4Very low103 Ų103128.8 Ų128.885%0.85183%0.832SS**  trans-158.7101.1161.400000110.1
306G31.5Very low38.1Very low74 Ų74128.5 Ų128.576%0.76383%0.829SS**  trans-88.5151.1177.800000113.4
307L35.8Very low37.8Very low176 Ų176128.5 Ų128.592%0.92183%0.83SS**  trans-151108.6155.9-107.8171.5000108.7
308A29.8Very low37.8Very low100 Ų100130.4 Ų130.483%0.82683%0.832SS**  trans-83.3139.4175.700000110.5
309L38.3Very low38Very low172 Ų172130.3 Ų130.390%0.90183%0.826SS**  trans-128.5130.2169.3-96.7163.3000109.2
310A42.5Very low38.1Very low78 Ų78128 Ų12865%0.64582%0.819SS**  trans-76.2159.8-173.500000112.4N312A310-N312 PolarHBondContact O-N 2.9Å
311P38.1Very low39Very low113 Ų113129.6 Ų129.673%0.73481%0.814SS**  trans-65.6127.8168.628.6-34.3000110.3E313P311-E313 PolarHBondContact O-N 3.49Å
312N41.9Very low40.2Very low163 Ų163131.1 Ų131.187%0.87281%0.809SS**  trans-85.496.9170.3-80.4-31.2000109.7A310A310-N312 PolarHBondContact O-N 2.9Å
313E39.2Very low42.1Very low181 Ų181128.9 Ų128.985%0.84680%0.804SS**  trans-74.1134.4163.3-61.4176.4135.400108.5P311P311-E313 PolarHBondContact O-N 3.49Å
314C39.2Very low43.9Very low107 Ų107130.1 Ų130.172%0.72379%0.791SS**  trans-131.572.6-172.8-166.80000111.9F316C314-F316 PolarHBondContact O-N 2.94Å
315D35.2Very low46.1Very low167 Ų167124.6 Ų124.689%0.89377%0.773SS**  trans-76.162.9172.7-99.6-50.3000112
316F39Very low47.8Very low175 Ų175125.1 Ų125.177%0.76877%0.766SS**  trans-154.367.3169.9-143.5-88.6000114.6C314C314-F316 PolarHBondContact O-N 2.94Å
317C39.5Very low49.8Very low120 Ų120125.2 Ų125.281%0.81176%0.759SS**  trans-133.436.8178.864.60000115.2
318V41.9Very low51.9Low140 Ų140119.9 Ų119.985%0.84873%0.734SS**  trans-130.177.8168.8-170.30000111.1
319T46.3Very low54Low113 Ų113118.3 Ų118.369%0.69371%0.714SS**  trans-150.4130.4161.2-46.10000108.2
320A42.8Very low55.7Low88 Ų88115 Ų11573%0.72769%0.693SS**PPolyproline II helixtrans-67138.2179.300000110.6
321P55.9Low57.4Low115 Ų115112.3 Ų112.375%0.74767%0.672SS**PPolyproline II helixtrans-64.1141.9175.427.5-34.1000110.2
322P64.3Low59.2Low110 Ų110112.5 Ų112.571%0.71467%0.665SS**PPolyproline II helixtrans-63.6146.1179.327.1-34.6000111L324P322-L324 PolarHBondContact O-N 3.37Å
323P74.4Confident60.6Low127 Ų127111.5 Ų111.583%0.82566%0.659SS**PPolyproline II helixtrans-62.4128.1-179.225.8-34000110.8
324L74.8Confident62.2Low107 Ų107107.2 Ų107.256%0.5664%0.639SS**PPolyproline II helixtrans-65.7141.2176.7-67.9174.9000110.4P322 V328 V329 I332P322-L324 PolarHBondContact O-N 3.37Å; L324-V328 HydrophobicContact CB-CB 4.33Å; L324-V328 HydrophobicContact CB-CG1 4.47Å; L324-V328 HydrophobicContact CD1-CG1 4.13Å; L324-V328 HydrophobicContact CD2-CG1 4.49Å; L324-V329 HydrophobicContact CB-CG2 4.19Å; L324-I332 HydrophobicContact CD1-CD1 4.47Å
325P78.2Confident63.2Low88 Ų88105.3 Ų105.357%0.57164%0.637SS**PPolyproline II helixtrans-55.2144.2173.1-24.833.9000111.6A327 V328 V329P325-A327 PolarHBondContact O-N 2.93Å; P325-V328 HydrophobicContact CB-CG2 4.39Å; P325-V328 HydrophobicContact CG-CG2 4.45Å; P325-V328 WeakPolarHBondContact O-CA 3.35Å; P325-V328 WeakPolarHBondContact O-CB 3.36Å; P325-V328 PolarHBondContact O-N 2.95Å; P325-V329 PolarHBondContact O-N 2.94Å
326V75Confident64.4Low114 Ų114103.2 Ų103.269%0.69162%0.62SS**Hα-helixtrans-51.8-37.3-176.9-179.70000112.3V328 V329 Q330V326-V328 VanDerWaalsContact C-N 3.28Å; V326-V328 PolarHBondContact O-N 3.43Å; V326-V329 PolarHBondContact O-N 2.85Å; V326-Q330 WeakPolarHBondContact O-CB 3.45Å; V326-Q330 PolarHBondContact O-N 3.36Å
327A74.5Confident64.7Low76 Ų7698.8 Ų98.863%0.62862%0.624SS**Hα-helixtrans-60.6-31.217600000114.1P325 A331P325-A327 PolarHBondContact O-N 2.93Å; A327-A331 VanDerWaalsContact O-CB 3.28Å; A327-A331 WeakPolarHBondContact O-CB 3.24Å; A327-A331 PolarHBondContact O-N 3.25Å
328V78Confident65Low63 Ų6397.9 Ų97.938%0.38262%0.619SS.*Hα-helixtrans-76.6-43.9176.2-176.70000110.3L324 P325 V326 Q330 A331 I332L324-V328 HydrophobicContact CB-CB 4.33Å; L324-V328 HydrophobicContact CB-CG1 4.47Å; L324-V328 HydrophobicContact CD1-CG1 4.13Å; L324-V328 HydrophobicContact CD2-CG1 4.49Å; P325-V328 HydrophobicContact CB-CG2 4.39Å; P325-V328 HydrophobicContact CG-CG2 4.45Å; P325-V328 WeakPolarHBondContact O-CA 3.35Å; P325-V328 WeakPolarHBondContact O-CB 3.36Å; P325-V328 PolarHBondContact O-N 2.95Å; V326-V328 VanDerWaalsContact C-N 3.28Å; V326-V328 PolarHBondContact O-N 3.43Å; V328-Q330 VanDerWaalsContact C-N 3.28Å; V328-Q330 PolarHBondContact O-N 2.83Å; V328-A331 PolarHBondContact O-N 3.03Å; V328-I332 HydrophobicContact CG1-CD1 4.03Å; V328-I332 VanDerWaalsContact O-CG1 3.28Å; V328-I332 WeakPolarHBondContact O-CG1 3.29Å; V328-I332 PolarHBondContact O-N 3.14Å
329V75.7Confident64.8Low67 Ų6799.6 Ų99.641%0.40662%0.616SS.*Hα-helixtrans-58.1-44.4173.6-179.20000110.1L324 P325 V326 I332 L333L324-V329 HydrophobicContact CB-CG2 4.19Å; P325-V329 PolarHBondContact O-N 2.94Å; V326-V329 PolarHBondContact O-N 2.85Å; V329-I332 PolarHBondContact O-N 3.05Å; V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.25Å; V329-L333 PolarHBondContact O-N 3.25Å
330Q74Confident64.6Low102 Ų10299.3 Ų99.348%0.47762%0.618SS.*Hα-helixtrans-68.5-39.9177.8-173.6156.9-800112.7V326 V328 I332 L333 E334V326-Q330 WeakPolarHBondContact O-CB 3.45Å; V326-Q330 PolarHBondContact O-N 3.36Å; V328-Q330 VanDerWaalsContact C-N 3.28Å; V328-Q330 PolarHBondContact O-N 2.83Å; Q330-I332 VanDerWaalsContact C-N 3.29Å; Q330-I332 PolarHBondContact O-N 3.15Å; Q330-L333 PolarHBondContact O-N 3.13Å; Q330-E334 HydrophobicContact CG-CG 4.2Å; Q330-E334 VanDerWaalsContact CG-OE1 3.23Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.46Å; Q330-E334 PolarHBondContact NE2-OE1 2.73Å; Q330-E334 WeakPolarHBondContact O-CB 3.35Å; Q330-E334 WeakPolarHBondContact O-CG 3.48Å; Q330-E334 PolarHBondContact O-N 3.04Å
331A77.1Confident64.5Low23 Ų23101.4 Ų101.419%0.1962%0.624CS.*Hα-helixtrans-63.4-33.2173.900000113.1A327 V328 G335 K336 F339A327-A331 VanDerWaalsContact O-CB 3.28Å; A327-A331 WeakPolarHBondContact O-CB 3.24Å; A327-A331 PolarHBondContact O-N 3.25Å; V328-A331 PolarHBondContact O-N 3.03Å; A331-G335 PolarHBondContact O-N 3.05Å; A331-K336 PolarHBondContact O-N 3.13Å; A331-K336 VanDerWaalsContact O-N 3.12Å; A331-F339 HydrophobicContact CB-CE2 4.42Å
332I76.1Confident63.9Low116 Ų116104.6 Ų104.660%0.59563%0.629SS**Hα-helixtrans-68.5-46.7172.9-69.4164.3000110.6L324 V328 V329 Q330 G335L324-I332 HydrophobicContact CD1-CD1 4.47Å; V328-I332 HydrophobicContact CG1-CD1 4.03Å; V328-I332 VanDerWaalsContact O-CG1 3.28Å; V328-I332 WeakPolarHBondContact O-CG1 3.29Å; V328-I332 PolarHBondContact O-N 3.14Å; V329-I332 PolarHBondContact O-N 3.05Å; Q330-I332 VanDerWaalsContact C-N 3.29Å; Q330-I332 PolarHBondContact O-N 3.15Å; I332-G335 PolarHBondContact O-N 3.02Å
333L71.9Confident62.5Low143 Ų143102.5 Ų102.575%0.74963%0.628SS**Hα-helixtrans-67.1-33.8178.4-69.7170.2000113V329 Q330 G335V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 VanDerWaalsContact O-CG 3.31Å; V329-L333 WeakPolarHBondContact O-CG 3.25Å; V329-L333 PolarHBondContact O-N 3.25Å; Q330-L333 PolarHBondContact O-N 3.13Å; L333-G335 VanDerWaalsContact C-N 3.28Å; L333-G335 PolarHBondContact O-N 3.07Å
334E73.3Confident60.8Low91 Ų91102.7 Ų102.743%0.42563%0.629SS.*THydrogen-bonded Turntrans-81.6-0.7175.8-71-174.2-153.200113.8Q330 K336Q330-E334 HydrophobicContact CG-CG 4.2Å; Q330-E334 VanDerWaalsContact CG-OE1 3.23Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.46Å; Q330-E334 PolarHBondContact NE2-OE1 2.73Å; Q330-E334 WeakPolarHBondContact O-CB 3.35Å; Q330-E334 WeakPolarHBondContact O-CG 3.48Å; Q330-E334 PolarHBondContact O-N 3.04Å; E334-K336 HydrophobicContact CB-CD 4.23Å; E334-K336 PolarHBondContact O-N 3.49Å; E334-K336 VanDerWaalsContact O-N 3.14Å; E334-K336 IonicContact OE2-NZ 2.64Å; E334-K336 PolarHBondContact OE2-NZ 3.11Å
335G60.2Low59.1Low66 Ų66109.1 Ų109.168%0.6865%0.645SS**THydrogen-bonded Turntrans67.47.9179.200000115.5A331 I332 L333 G337A331-G335 PolarHBondContact O-N 3.05Å; I332-G335 PolarHBondContact O-N 3.02Å; L333-G335 VanDerWaalsContact C-N 3.28Å; L333-G335 PolarHBondContact O-N 3.07Å; G335-G337 VanDerWaalsContact C-N 3.3Å; G335-G337 PolarHBondContact O-N 3.1Å
336K59.4Low57Low123 Ų123110.7 Ų110.754%0.53566%0.659SS.*  trans-87.863.1-174-72.4166-171.3159.90111.8A331 E334 S338A331-K336 PolarHBondContact O-N 3.13Å; A331-K336 VanDerWaalsContact O-N 3.12Å; E334-K336 HydrophobicContact CB-CD 4.23Å; E334-K336 PolarHBondContact O-N 3.49Å; E334-K336 VanDerWaalsContact O-N 3.14Å; E334-K336 IonicContact OE2-NZ 2.64Å; E334-K336 PolarHBondContact OE2-NZ 3.11Å; K336-S338 PolarHBondContact O-N 3.34Å
337G45.6Very low55.3Low83 Ų83113 Ų11386%0.85667%0.665SS**  trans-72.453.1179.700000115.4G335G335-G337 VanDerWaalsContact C-N 3.3Å; G335-G337 PolarHBondContact O-N 3.1Å
338S44.6Very low53.6Low100 Ų100117.6 Ų117.670%0.69967%0.674SS**  trans-151.390.917366.10000113.4K336K336-S338 PolarHBondContact O-N 3.34Å
339F39.1Very low51.6Low177 Ų177123.7 Ų123.778%0.77670%0.698SS**  trans-126.6111.1166.3-79.1-82.4000109.7A331A331-F339 HydrophobicContact CB-CE2 4.42Å
340S42.4Very low49.7Very low106 Ų106126 Ų12674%0.74172%0.715SS**  trans-93.2127.1171.5-168.70000109.5E342S340-E342 PolarHBondContact O-N 3.39Å; S340-E342 VanDerWaalsContact O-N 3.1Å
341P40.7Very low47.7Very low132 Ų132128.1 Ų128.186%0.85773%0.725SS**  trans-88.666.2-17036.1-37.1000113.5
342E43Very low46Very low183 Ų183132.4 Ų132.486%0.85575%0.751SS**  trans-117.4109.1167.7-71.3-162.8102.200111.5S340S340-E342 PolarHBondContact O-N 3.39Å; S340-E342 VanDerWaalsContact O-N 3.1Å
343G34.7Very low44.1Very low66 Ų66137.6 Ų137.668%0.6876%0.762SS**  trans-90.1145.8-178.900000113.4R345G343-R345 PolarHBondContact O-N 3.16Å
344P38.6Very low42.5Very low130 Ų130134.4 Ų134.484%0.84476%0.764SS**  trans-70.5122.4-178.4-14.428.8000112.5
345R39.7Very low40.9Very low242 Ų242135.8 Ų135.891%0.91378%0.781SS**  trans-88.4108.6170.9-75.1-175.7173.9167.6-0.1110.9G343 I347G343-R345 PolarHBondContact O-N 3.16Å; R345-I347 PolarHBondContact O-N 3.43Å
346S32.5Very low39.9Very low122 Ų122144.3 Ų144.385%0.85379%0.793SS**  trans-77117170.3-64.30000110.9
347I40.3Very low39.1Very low161 Ų161147.6 Ų147.683%0.82681%0.81SS**  trans-132.1136.9163.2-66.1-175.7000108.7R345R345-I347 PolarHBondContact O-N 3.43Å
348Q38.8Very low38.9Very low173 Ų173150.3 Ų150.381%0.80881%0.81SS**  trans-91.7141.4-180-58.3163.1-8.100110.5
349Q35.2Very low39.5Very low191 Ų191151.7 Ų151.789%0.89382%0.816SS**  -179.9159.6124.6-98.1169.344.900111.8
350P36.9Very low39.5Very low117 Ų117149.9 Ų149.976%0.7682%0.815SS**  trans-107.3156.9-169.238.8-32.1000116.4
351E31.4Very low39.5Very low146 Ų146155.5 Ų155.568%0.68282%0.819SS**  trans-0.4140.9147.8-99.1-82.191.700118.6R353E351-R353 PolarHBondContact OE1-N 2.88Å; E351-R353 WeakPolarHBondContact OE2-CG 3.35Å; E351-R353 PolarHBondContact OE2-N 3.42Å
352P40.9Very low39.7Very low113 Ų113152.5 Ų152.573%0.73481%0.813SS**  -152135.279.237.5-17.9000119.8
353R37.3Very low39.6Very low224 Ų224149.5 Ų149.585%0.84581%0.807SS**  trans50.4120.9132.8-61.2-172.4170.6-161.9-2.7122.1E351E351-R353 PolarHBondContact OE1-N 2.88Å; E351-R353 WeakPolarHBondContact OE2-CG 3.35Å; E351-R353 PolarHBondContact OE2-N 3.42Å
354G37.6Very low40Very low76 Ų76154.7 Ų154.778%0.78482%0.818SS**  trans-157.3128.8153.400000111.7
355P40.6Very low40.2Very low120 Ų120151.6 Ų151.678%0.77981%0.81SS**  trans-120.1151.2-164.640.2-30.8000118.2
356R37.7Very low40.6Very low246 Ų246148.1 Ų148.193%0.92881%0.809SS**  trans66.7128157.2-69.7176.3171.3155.7-3120.2
357E42.9Very low40.9Very low192 Ų192148.2 Ų148.290%0.89780%0.8SS**  -162.7151.5117.5-114.4-178154.200112.4
358V43Very low40.8Very low140 Ų140151.7 Ų151.785%0.84880%0.803SS**  trans-154.6129.4172.5177.70000109.7
359P57.2Low41Very low128 Ų128147.3 Ų147.383%0.83180%0.804SS**  trans-114.9174.4161.227.4-10000113.7
360D38.2Very low41.2Very low140 Ų140145.5 Ų145.575%0.74980%0.801SS**  trans-126.9176.1-160.6171.146.5000113
361R42Very low41.4Very low223 Ų223150.8 Ų150.884%0.84281%0.805SS**  trans94.3122.8146.8-119.1165.6-173.6-167.43119.3
362G45.2Very low41.7Very low70 Ų70148.7 Ų148.772%0.72281%0.807SS**  trans175129172.200000110.7
363T40.7Very low41.9Very low119 Ų119149.2 Ų149.273%0.7381%0.81SS**  trans-160.8154.7-148.3-580000114.4
364L43.7Very low42.2Very low175 Ų175148 Ų14892%0.91681%0.814SS**  trans92.2144.8168.5-52.1-171.8000121.2
365G42.9Very low42.3Very low66 Ų66148.8 Ų148.868%0.6881%0.808SS**  trans121.291170.800000113.2
366L47.2Very low42.3Very low169 Ų169150.1 Ų150.189%0.88581%0.808SS**  59.6134.968-59.1176.4000114.7
367D39.1Very low42.5Very low123 Ų123145.7 Ų145.766%0.65880%0.802SS**  cis-164.9164.8-21-170.4-119.1000109.2
368R39.1Very low42.3Very low234 Ų234141.8 Ų141.888%0.88379%0.793SS**  trans60.8122.3158.7-96.8163.3-163.5-113.8-7.1123.2
369G42.8Very low42.4Very low82 Ų82141 Ų14185%0.84579%0.79SS**  trans-162.6127.2148.500000109.6
370N38.8Very low41.7Very low152 Ų152141.1 Ų141.181%0.81379%0.788SS**  trans-138.1132.7-160.7-178.127.8000115.1
371R40.8Very low41.6Very low228 Ų228141.5 Ų141.586%0.8679%0.79SS**  trans157.6148.9159.1-92.7158.9-179.3-100.10.8108.8
372S38.3Very low41.4Very low103 Ų103138.5 Ų138.572%0.7279%0.79SS**  cis-169.1136.4-23.2-99.70000108
373P45.8Very low40.8Very low123 Ų123146.3 Ų146.380%0.79980%0.797SS**  trans-116.7146.9-179.139-29.8000115.3
374E41.7Very low41.2Very low200 Ų200145.8 Ų145.894%0.93580%0.796SS**  trans-170.4150.8163.1-106.6163.2152.400106.7
375S40.2Very low41.1Very low92 Ų92143.2 Ų143.264%0.64379%0.79SS**  cis-160151.710.357.50000111.9
376L40.7Very low41.4Very low148 Ų148144.6 Ų144.678%0.77579%0.787SS**  trans44.9140.5136.8-54.1174.8000120.9
377L41.3Very low40.9Very low153 Ų153144.7 Ų144.780%0.80178%0.783SS**  cis-163.71771.4-100.5170.9000110
378P38.7Very low40.7Very low109 Ų109145.2 Ų145.271%0.70879%0.791SS**  trans-103179.4-159.142.2-40.3000117.6
379P46.8Very low40.6Very low123 Ų123139.6 Ų139.680%0.79978%0.782SS**  trans-104.3165.2-166.639.9-35.4000116.7
380V41.7Very low40.3Very low131 Ų131144 Ų14479%0.79478%0.78SS**  trans-157.7123.5170.7126.60000114.6
381L35.5Very low40.2Very low149 Ų149141.2 Ų141.278%0.7877%0.771SS**  trans57.4154143-55.5174.9000126.7
382L37.4Very low39.9Very low160 Ų160138.3 Ų138.384%0.83877%0.769SS**  trans95.185146.5-77.5153.9000124.3
383R33.4Very low39.7Very low233 Ų233140.9 Ų140.988%0.87978%0.775SS**  trans12.7142.4133.7-164.7176.3-178.4111.40.4123.3
384P48.9Very low39.2Very low108 Ų108138.5 Ų138.570%0.70177%0.765SS**  trans-108.1176.6173.543-36.8000116.2
385P42.3Very low38.8Very low121 Ų121137.7 Ų137.779%0.78677%0.766SS**  trans-140.4-171.1154.943.7-26.9000113.7
386P48Very low38.5Very low96 Ų96136.5 Ų136.562%0.62377%0.769SS**  -143.4-168.8-70.245.3-27.3000116.7
387E37.5Very low38.6Very low171 Ų171134.9 Ų134.980%0.79977%0.767SS**  trans95.3152141-86.8156.6-142.800126
388T34.1Very low38.3Very low134 Ų134132.5 Ų132.582%0.82276%0.763SS**  trans80.798.1-176.2-31.60000115.3
389V37.6Very low38.4Very low115 Ų115132 Ų13270%0.69776%0.755SS**  cis88.5107.734.2-175.20000114.9
390E36Very low38.1Very low174 Ų174134.7 Ų134.781%0.81376%0.756SS**  -173161.8129.8-92.1-61.481.900109.1
391P37Very low38Very low95 Ų95132.6 Ų132.662%0.61776%0.761SS**  trans-133.1177-146.144.4-29.6000118.5
392M33.9Very low38.6Very low167 Ų167131.6 Ų131.682%0.82375%0.747SS**  trans36.8118.4161.1-59.8-164.1-5000119.3
393D34.3Very low39.1Very low157 Ų157132.1 Ų132.184%0.8475%0.745SS**  -162.1171.582.2-89.9-30.1000111.1
394A36.2Very low40.3Very low73 Ų73128.7 Ų128.760%0.60373%0.732SS**  cis-174149.9-41.100000107.8
395L33.3Very low41.2Very low182 Ų182126.6 Ų126.695%0.95372%0.717SS**  trans68.1130.3173.1-50.1179.3000117.8
396G34.8Very low41.9Very low68 Ų68124.5 Ų124.570%0.70170%0.699SS**  trans150.356.4174.500000115.1S398G396-S398 PolarHBondContact O-N 2.77Å
397P42.1Very low42.9Very low113 Ų113125.6 Ų125.673%0.73470%0.697SS**  trans-71.4127-177.130.5-34.6000112.4L399P397-L399 PolarHBondContact O-N 2.95Å; P397-L399 VanDerWaalsContact O-N 3.16Å
398S35.1Very low44.7Very low103 Ų103118.3 Ų118.372%0.7266%0.664SS**  trans-66111177.2-52.10000112.4G396 H400G396-S398 PolarHBondContact O-N 2.77Å; S398-H400 PolarHBondContact O-N 3.34Å; S398-H400 VanDerWaalsContact O-N 3.17Å
399L39.8Very low46.1Very low100 Ų100115.1 Ų115.152%0.52464%0.641SS.*  trans-87.474174.2-66.2-177.1000112.2P397 G401 R402P397-L399 PolarHBondContact O-N 2.95Å; P397-L399 VanDerWaalsContact O-N 3.16Å; L399-G401 PolarHBondContact O-N 3.4Å; L399-R402 HydrophobicContact CB-CB 4.41Å; L399-R402 HydrophobicContact CD2-CB 4.12Å
400H41.5Very low47.5Very low179 Ų179113 Ų11383%0.82963%0.626SS**SBendtrans-71.1114.9160.5-76.989.4000109.4S398 R402S398-H400 PolarHBondContact O-N 3.34Å; S398-H400 VanDerWaalsContact O-N 3.17Å; H400-R402 PolarHBondContact O-N 2.9Å
401G39.9Very low49.2Very low87 Ų87110 Ų11090%0.89761%0.613SS**SBendtrans70.524.9164.700000116.8L399L399-G401 PolarHBondContact O-N 3.4Å
402R48.4Very low50.5Low127 Ų127109.9 Ų109.948%0.47961%0.605SS.*  trans-79.1125171.8-177.6170.4174-163.5-8.2110.7L399 H400 W404 D408L399-R402 HydrophobicContact CB-CB 4.41Å; L399-R402 HydrophobicContact CD2-CB 4.12Å; H400-R402 PolarHBondContact O-N 2.9Å; R402-W404 PolarHBondContact O-N 3.07Å; R402-D408 IonicContact CZ-OD1 3.38Å; R402-D408 IonicContact CZ-OD2 3.56Å; R402-D408 IonicContact NE-OD2 3.86Å; R402-D408 IonicContact NH1-OD1 3.68Å; R402-D408 IonicContact NH2-OD1 2.79Å; R402-D408 PolarHBondContact NH2-OD1 3.39Å; R402-D408 IonicContact NH2-OD2 3.28Å; R402-D408 PolarHBondContact NH2-OD2 2.99Å
403E47.5Very low51.9Low172 Ų172104.6 Ų104.680%0.80458%0.579SS**  trans-66.3124.8168.5-172175.9171.600109.5T405E403-T405 PolarHBondContact O-N 2.85Å
404W57.2Low53.3Low161 Ų161100.6 Ų100.661%0.6156%0.564SS**  trans-71.4112.4-179.5-73.295.6000110R402 D408 E412R402-W404 PolarHBondContact O-N 3.07Å; W404-D408 HydrophobicContact CE3-CB 3.8Å; W404-D408 HydrophobicContact CZ3-CB 4.21Å; W404-E412 HydrophobicContact CZ3-CG 4.28Å
405T68.2Low54.4Low64 Ų64103.5 Ų103.539%0.39357%0.569SS.*  trans-74.4156.2172.9740000110.2E403 M407 D408 L409E403-T405 PolarHBondContact O-N 2.85Å; T405-M407 PolarHBondContact O-N 3.08Å; T405-M407 VanDerWaalsContact O-N 3.09Å; T405-M407 PolarHBondContact OG1-N 3.28Å; T405-D408 WeakPolarHBondContact CB-OD2 3.21Å; T405-D408 WeakPolarHBondContact CG2-OD2 3.38Å; T405-D408 PolarHBondContact N-OD2 3.26Å; T405-D408 PolarHBondContact O-N 2.9Å; T405-D408 VanDerWaalsContact O-N 3.1Å; T405-D408 VanDerWaalsContact OG1-CG 3.3Å; T405-D408 PolarHBondContact OG1-N 3.1Å; T405-D408 VanDerWaalsContact OG1-N 3.14Å; T405-D408 PolarHBondContact OG1-OD2 3.38Å; T405-L409 PolarHBondContact O-N 3.41Å
406L58.1Low55.1Low76 Ų76101.2 Ų101.240%0.39856%0.555SS.*Hα-helixtrans-54.7-28.8172.6-17468000112.1D410L406-D410 PolarHBondContact O-N 3.26Å
407M69.2Low55.8Low119 Ų119104.7 Ų104.759%0.58655%0.553SS**Hα-helixtrans-77.9-36179.8-52.1-67.183.900112.6T405 L409 D410 M411T405-M407 PolarHBondContact O-N 3.08Å; T405-M407 VanDerWaalsContact O-N 3.09Å; T405-M407 PolarHBondContact OG1-N 3.28Å; M407-L409 VanDerWaalsContact C-N 3.28Å; M407-L409 PolarHBondContact O-N 2.77Å; M407-D410 PolarHBondContact O-N 3.41Å; M407-M411 WeakPolarHBondContact O-CB 3.43Å; M407-M411 PolarHBondContact O-N 2.92Å
408D73.6Confident55.7Low18 Ų18104 Ų10410%0.09655%0.548CS..Hα-helixtrans-62.6-40.5172.1-64.1-64000110.3R402 W404 T405 M411 E412R402-D408 IonicContact CZ-OD1 3.38Å; R402-D408 IonicContact CZ-OD2 3.56Å; R402-D408 IonicContact NE-OD2 3.86Å; R402-D408 IonicContact NH1-OD1 3.68Å; R402-D408 IonicContact NH2-OD1 2.79Å; R402-D408 PolarHBondContact NH2-OD1 3.39Å; R402-D408 IonicContact NH2-OD2 3.28Å; R402-D408 PolarHBondContact NH2-OD2 2.99Å; W404-D408 HydrophobicContact CE3-CB 3.8Å; W404-D408 HydrophobicContact CZ3-CB 4.21Å; T405-D408 WeakPolarHBondContact CB-OD2 3.21Å; T405-D408 WeakPolarHBondContact CG2-OD2 3.38Å; T405-D408 PolarHBondContact N-OD2 3.26Å; T405-D408 PolarHBondContact O-N 2.9Å; T405-D408 VanDerWaalsContact O-N 3.1Å; T405-D408 VanDerWaalsContact OG1-CG 3.3Å; T405-D408 PolarHBondContact OG1-N 3.1Å; T405-D408 VanDerWaalsContact OG1-N 3.14Å; T405-D408 PolarHBondContact OG1-OD2 3.38Å; D408-M411 PolarHBondContact O-N 3.36Å; D408-E412 WeakPolarHBondContact O-CG 3.22Å; D408-E412 PolarHBondContact O-N 3.04Å
409L65.2Low55.7Low67 Ų67107.1 Ų107.135%0.35156%0.556SS.*Hα-helixtrans-68.8-35.3175-74.6164.3000113.7T405 M407 L413T405-L409 PolarHBondContact O-N 3.41Å; M407-L409 VanDerWaalsContact C-N 3.28Å; M407-L409 PolarHBondContact O-N 2.77Å; L409-L413 VanDerWaalsContact O-CB 3.32Å; L409-L413 WeakPolarHBondContact O-CB 3.35Å; L409-L413 WeakPolarHBondContact O-CD1 3.44Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 3.2Å; L409-L413 VanDerWaalsContact O-N 3.14Å
410D65.7Low55.6Low72 Ų72106 Ų10639%0.38556%0.561SS.*Hα-helixtrans-71.6-31.7174.5-106.716.1000111.9R175 L406 M407 S414R175-D410 IonicContact CZ-OD1 2.71Å; R175-D410 IonicContact NH1-OD1 3.08Å; R175-D410 PolarHBondContact NH1-OD1 3.38Å; L406-D410 PolarHBondContact O-N 3.26Å; M407-D410 PolarHBondContact O-N 3.41Å; D410-S414 VanDerWaalsContact O-CB 3.3Å; D410-S414 WeakPolarHBondContact O-CB 3.34Å; D410-S414 PolarHBondContact O-N 2.91Å; D410-S414 PolarHBondContact O-OG 3.39Å
411M73.5Confident55.4Low110 Ų110103.3 Ų103.354%0.54256%0.56SS.*Hα-helixtrans-68.3-52.7174.2-176.4176.967.100111.6M407 D408 L413 S414 L415M407-M411 WeakPolarHBondContact O-CB 3.43Å; M407-M411 PolarHBondContact O-N 2.92Å; D408-M411 PolarHBondContact O-N 3.36Å; M411-L413 VanDerWaalsContact C-N 3.29Å; M411-L413 PolarHBondContact O-N 3.26Å; M411-S414 PolarHBondContact O-N 3.27Å; M411-S414 VanDerWaalsContact O-N 3.17Å; M411-L415 WeakPolarHBondContact O-CG 3.26Å; M411-L415 PolarHBondContact O-N 3.03Å
412E63Low55.3Low93 Ų93107 Ų10744%0.43555%0.554SS.*Hα-helixtrans-56-42.8175.8-74.5-77.611500111.7W404 D408 L415 M416W404-E412 HydrophobicContact CZ3-CG 4.28Å; D408-E412 WeakPolarHBondContact O-CG 3.22Å; D408-E412 PolarHBondContact O-N 3.04Å; E412-L415 CarbonylContact O-C 3.58Å; E412-L415 WeakPolarHBondContact O-CB 3.35Å; E412-L415 PolarHBondContact O-N 3.42Å; E412-M416 WeakPolarHBondContact O-CB 3.41Å; E412-M416 WeakPolarHBondContact O-CG 3.42Å; E412-M416 PolarHBondContact O-N 3.05Å
413L62.8Low54.5Low55 Ų55110 Ų11029%0.28856%0.564SS.*Hα-helixtrans-80.3-16.8-179.7-70.5165.7000114.3W168 R175 L409 M411 M416 Q417W168-L413 HydrophobicContact CH2-CD2 3.78Å; W168-L413 HydrophobicContact CZ3-CD2 4.1Å; R175-L413 VanDerWaalsContact CZ-CD1 3.48Å; L409-L413 VanDerWaalsContact O-CB 3.32Å; L409-L413 WeakPolarHBondContact O-CB 3.35Å; L409-L413 WeakPolarHBondContact O-CD1 3.44Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 3.2Å; L409-L413 VanDerWaalsContact O-N 3.14Å; M411-L413 VanDerWaalsContact C-N 3.29Å; M411-L413 PolarHBondContact O-N 3.26Å; L413-M416 HydrophobicContact CD2-CB 4.49Å; L413-M416 CarbonylContact O-C 3.56Å; L413-Q417 PolarHBondContact O-N 3.09Å
414S64Low53.8Low74 Ų74105.8 Ų105.852%0.51756%0.56SS.*Hα-helixtrans-72.9-33.8164.5-62.60000111.5D410 M411D410-S414 VanDerWaalsContact O-CB 3.3Å; D410-S414 WeakPolarHBondContact O-CB 3.34Å; D410-S414 PolarHBondContact O-N 2.91Å; D410-S414 PolarHBondContact O-OG 3.39Å; M411-S414 PolarHBondContact O-N 3.27Å; M411-S414 VanDerWaalsContact O-N 3.17Å
415L59.2Low52.6Low134 Ų134105 Ų10570%0.70256%0.563SS**Hα-helixtrans-75.6-27.7172.9-65.2170.1000112.6M411 E412M411-L415 WeakPolarHBondContact O-CG 3.26Å; M411-L415 PolarHBondContact O-N 3.03Å; E412-L415 CarbonylContact O-C 3.58Å; E412-L415 WeakPolarHBondContact O-CB 3.35Å; E412-L415 PolarHBondContact O-N 3.42Å
416M49.7Very low50.9Low134 Ų134106 Ų10666%0.6658%0.578SS**THydrogen-bonded Turntrans-96.620.3175.3-66.2-13170.800114.2E412 L413E412-M416 WeakPolarHBondContact O-CB 3.41Å; E412-M416 WeakPolarHBondContact O-CG 3.42Å; E412-M416 PolarHBondContact O-N 3.05Å; L413-M416 HydrophobicContact CD2-CB 4.49Å; L413-M416 CarbonylContact O-C 3.56Å
417Q47.7Very low49.6Very low140 Ų140109.4 Ų109.465%0.65459%0.591SS**SBendtrans-56.7141.5164.8-75-166.314.300109.4L413 L419L413-Q417 PolarHBondContact O-N 3.09Å; Q417-L419 PolarHBondContact O-N 3.05Å
418P40.1Very low47.9Very low98 Ų98111.7 Ų111.764%0.63661%0.605SS**  trans-55.8117.3175.9-24.734.1000110.2A420P418-A420 PolarHBondContact O-N 3Å
419L35.7Very low45.9Very low170 Ų170113.5 Ų113.589%0.8962%0.617SS**  trans-59.195.1155.1-85.8163.4000105.9Q417Q417-L419 PolarHBondContact O-N 3.05Å
420A37.6Very low44.5Very low76 Ų76116.9 Ų116.963%0.62864%0.64SS**  trans-47.9134.4171.700000107.4P418 E422P418-A420 PolarHBondContact O-N 3Å; A420-E422 PolarHBondContact O-N 3Å
421P37.7Very low43Very low123 Ų123120 Ų12080%0.79965%0.65SS**  trans-60.596.8-161.322-33.7000111.1R423P421-R423 PolarHBondContact O-N 3.17Å
422E37.4Very low40.9Very low165 Ų165121.2 Ų121.277%0.77166%0.659SS**  trans-55.1128170.8-145.2-71.879.600105.9A420 A424A420-E422 PolarHBondContact O-N 3Å; E422-A424 PolarHBondContact O-N 2.8Å
423R32.7Very low39.7Very low188 Ų188124.9 Ų124.971%0.70968%0.68SS**  trans-81.466.6-165.3-81.3-165.6179.2-166.35.2110.3P421 E425P421-R423 PolarHBondContact O-N 3.17Å; R423-E425 HydrophobicContact CB-CG 4.28Å; R423-E425 IonicContact NH1-OE1 3.97Å; R423-E425 PolarHBondContact NH1-OE1 3.31Å; R423-E425 PolarHBondContact O-N 2.92Å
424A31.9Very low38Very low85 Ų85128.3 Ų128.370%0.70270%0.704SS**  trans-62.482.4152.200000108.2E422 A426E422-A424 PolarHBondContact O-N 2.8Å; A424-A426 PolarHBondContact O-N 3.09Å
425E31.4Very low36.6Very low145 Ų145130 Ų13068%0.67872%0.716SS**  trans-69.364.2171.3-71.1176.6165.800109.3R423 E427R423-E425 HydrophobicContact CB-CG 4.28Å; R423-E425 IonicContact NH1-OE1 3.97Å; R423-E425 PolarHBondContact NH1-OE1 3.31Å; R423-E425 PolarHBondContact O-N 2.92Å; E425-E427 PolarHBondContact O-N 2.82Å
426A32.8Very low35.4Very low85 Ų85129 Ų12970%0.70272%0.72SS**  trans-71.665.7166.200000108.4A424 L428A424-A426 PolarHBondContact O-N 3.09Å; A426-L428 PolarHBondContact O-N 3.32Å
427E31.7Very low34.6Very low146 Ų146126.1 Ų126.168%0.68272%0.724SS**  trans-67.578.2-179.3-149.7-155.315400108.9E425 T429 K431E425-E427 PolarHBondContact O-N 2.82Å; E427-T429 VanDerWaalsContact CD-CG2 3.48Å; E427-T429 HydrophobicContact CG-CG2 3.67Å; E427-T429 PolarHBondContact O-N 2.9Å; E427-T429 WeakPolarHBondContact OE1-CG2 3.4Å; E427-K431 IonicContact OE1-NZ 3.8Å
428L33.8Very low34Very low167 Ų167126.8 Ų126.887%0.87474%0.738SS**  trans-70.558.6170.5-96.7169.2000109.8A426 V430A426-L428 PolarHBondContact O-N 3.32Å; L428-V430 PolarHBondContact O-N 3.5Å
429T30.3Very low33.7Very low56 Ų56125.3 Ų125.334%0.34474%0.741SS.*  trans-63.9112.5168.258.10000108.3E427 K431E427-T429 VanDerWaalsContact CD-CG2 3.48Å; E427-T429 HydrophobicContact CG-CG2 3.67Å; E427-T429 PolarHBondContact O-N 2.9Å; E427-T429 WeakPolarHBondContact OE1-CG2 3.4Å; T429-K431 VanDerWaalsContact CG2-NZ 3.33Å; T429-K431 PolarHBondContact O-N 3.1Å; T429-K431 WeakPolarHBondContact OG1-CD 3.37Å; T429-K431 WeakPolarHBondContact OG1-CE 3.41Å; T429-K431 WeakPolarHBondContact OG1-CG 3.48Å; T429-K431 PolarHBondContact OG1-NZ 2.96Å
430V35.3Very low33.9Very low139 Ų139126.1 Ų126.184%0.84274%0.737SS**  trans-65.283157.1-177.60000106.4L428L428-V430 PolarHBondContact O-N 3.5Å
431K34.9Very low33.8Very low137 Ų137127.7 Ų127.760%0.59674%0.735SS**  trans-85.1115.2176.2-89.3169.8-177.8111.60108.2E427 T429 L433E427-K431 IonicContact OE1-NZ 3.8Å; T429-K431 VanDerWaalsContact CG2-NZ 3.33Å; T429-K431 PolarHBondContact O-N 3.1Å; T429-K431 WeakPolarHBondContact OG1-CD 3.37Å; T429-K431 WeakPolarHBondContact OG1-CE 3.41Å; T429-K431 WeakPolarHBondContact OG1-CG 3.48Å; T429-K431 PolarHBondContact OG1-NZ 2.96Å; K431-L433 PolarHBondContact O-N 2.93Å
432D29.8Very low33.9Very low135 Ų135129.5 Ų129.572%0.72273%0.732SS**  trans-53.5120.6175.2-62.8-86.9000111.7T434D432-T434 VanDerWaalsContact C-N 3.35Å; D432-T434 PolarHBondContact O-N 3.34Å
433L37Very low33.9Very low170 Ų170127.1 Ų127.189%0.8973%0.729SS**  trans-9762.5171.8-71.2176.8000110.6K431K431-L433 PolarHBondContact O-N 2.93Å
434T28.3Very low34.2Very low127 Ų127126.4 Ų126.478%0.77974%0.739SS**  trans-110.146.4178.347.40000112.2D432D432-T434 VanDerWaalsContact C-N 3.35Å; D432-T434 PolarHBondContact O-N 3.34Å
435S33Very low34.4Very low111 Ų111125.7 Ų125.778%0.77674%0.74SS**  trans-167.3145176.6178.40000110.7
436S34.7Very low35Very low112 Ų112125.2 Ų125.278%0.78375%0.747SS**  cis-163.6129.4-22.6177.40000107.3
437G32.8Very low35.2Very low73 Ų73127.3 Ų127.375%0.75375%0.753SS**  trans-132.4100.6-170.300000113.2G439G437-G439 PolarHBondContact O-N 3.41Å
438V34.4Very low35.8Very low154 Ų154128.8 Ų128.893%0.93377%0.765SS**  trans-60.7119.9-177.4175.30000111.6
439G35.2Very low35.7Very low68 Ų68128.2 Ų128.270%0.70176%0.76SS**  trans-144.914.2-162.800000119.5G437G437-G439 PolarHBondContact O-N 3.41Å
440K38.5Very low36.2Very low186 Ų186133.7 Ų133.781%0.80979%0.786SS**  trans68.9145.4167-94.5178.7172.1-173.60121
441D36.9Very low36.1Very low110 Ų110132.1 Ų132.159%0.58877%0.773SS**  trans74.397.4144.2-60.1-28000123.1
442H39Very low36.5Very low161 Ų161132.3 Ų132.375%0.74579%0.785SS**  108.5115.7121.2-69.514.7000120.9
443T37.8Very low36.7Very low114 Ų114134 Ų13470%0.69979%0.788SS**  trans93.693.9136.5-53.50000121.1
444L39.5Very low36.9Very low174 Ų174129.7 Ų129.791%0.91178%0.777SS**  trans61.2134.8138.2-56.9174000121.4
445G35.6Very low37.4Very low70 Ų70130.5 Ų130.572%0.72278%0.777SS**  trans15541.6155.500000121.8
446T44.3Very low37.6Very low135 Ų135131 Ų13183%0.82877%0.771SS**  trans27.5116.3157.847.40000121.2
447P35.5Very low37.7Very low129 Ų129134.3 Ų134.384%0.83877%0.774SS**  trans-86.5152149.935.5-31000111.5
448L44.9Very low37.8Very low177 Ų177134.3 Ų134.393%0.92777%0.773SS**  trans-118.6139.8164.3-85.2175.4000110
449M32.7Very low37.9Very low155 Ų155132 Ų13276%0.76477%0.77SS**  trans-79.2157.9173.5-69.7-16167.800111.8
450L40.7Very low38Very low170 Ų170132.5 Ų132.589%0.8977%0.768SS**  trans-143.6128.3140.3-116.7166.9000109.6
451D32.5Very low38.1Very low107 Ų107131.7 Ų131.757%0.57277%0.771SS**  trans-100.3144.1-178.3-146.2-41.1000109.1
452V43.2Very low37.9Very low141 Ų141131 Ų13186%0.85578%0.776SS**  trans-144.6127.8165.8-177.30000108.1
453Q35.1Very low38Very low169 Ų169129.5 Ų129.579%0.7978%0.777SS**  trans-124.2-173.6-165.1-163.3171.5-4.700110.5
454A40.6Very low38Very low80 Ų80130 Ų13066%0.66178%0.783SS**  trans78.3149.3176.400000115.1
455D37.9Very low37.8Very low144 Ų144125.8 Ų125.877%0.7778%0.781SS**  cis-169.5166.2-10.7-106.8-8000107.9
456L38.1Very low37.9Very low123 Ų123127 Ų12764%0.64478%0.784SS**  cis-166.3156.8-10169.962.1000108.1
457E37.4Very low37.4Very low181 Ų181129.1 Ų129.185%0.84679%0.79SS**  trans64.3151.5170.1-79.7157.5-15900117.6
458G34.4Very low37.7Very low72 Ų72128.5 Ų128.574%0.74278%0.783SS**  cis-164.6167.4-1.200000112.3
459A36.4Very low37.3Very low106 Ų106128.1 Ų128.188%0.87678%0.782SS**  trans-79176-175.800000112.6
460A37.9Very low37.6Very low79 Ų79130 Ų13065%0.65378%0.782SS**  cis-164.4164.914.300000112.1
461L38.7Very low37.2Very low168 Ų168130.2 Ų130.288%0.8878%0.783SS**  trans57150.7154.7-55.2167.6000119.1
462S34.1Very low37.6Very low97 Ų97129.4 Ų129.468%0.67879%0.792SS**  cis169.7154.4-25.1-171.60000106.2
463V40Very low37.4Very low129 Ų129128.7 Ų128.778%0.78279%0.788SS**  trans68.4122.9171-163.20000117.6
464P38Very low37.5Very low125 Ų125129.5 Ų129.581%0.81279%0.792SS**  trans-98.9161.1171.238.4-33.4000113.3
465G35.3Very low37.5Very low84 Ų84131.4 Ų131.487%0.86680%0.8SS**  trans134.6102.8157.500000116.2
466A38.9Very low37.4Very low97 Ų97132.6 Ų132.680%0.80281%0.807SS**  trans-151131.7159.100000109.6
467L34.1Very low37.5Very low179 Ų179131.3 Ų131.394%0.93781%0.813SS**  trans-90.8132.4173-70.5167.6000109.5
468T40.5Very low37.7Very low115 Ų115127.7 Ų127.771%0.70681%0.808SS**  trans-138.290.8169.5-1.70000111Y470T468-Y470 HydrophobicContact CG2-CD2 3.98Å; T468-Y470 HydrophobicContact CG2-CE2 3.85Å; T468-Y470 PolarHBondContact O-N 3.49Å
469L36.4Very low38.1Very low170 Ų170135.2 Ų135.289%0.8982%0.816SS**  trans-68.5122.4162.6-78.9163.8000109.1
470Y39.9Very low38.6Very low195 Ų195137.3 Ų137.377%0.76581%0.811SS**  trans-134.393.4167-95.7-79.6000110.5T468T468-Y470 HydrophobicContact CG2-CD2 3.98Å; T468-Y470 HydrophobicContact CG2-CE2 3.85Å; T468-Y470 PolarHBondContact O-N 3.49Å
471N32.6Very low38.9Very low173 Ų173140.4 Ų140.493%0.92582%0.817SS**  trans-83.7120.4151.3-81.9-28.3000107.2
472A40Very low39.7Very low91 Ų91138.2 Ų138.275%0.75281%0.813SS**  trans-128.7129.9172.100000109
473T39.7Very low40.1Very low125 Ų125136.3 Ų136.377%0.76781%0.808SS**  trans-78.6144.6-171.745.10000113.3
474E36.3Very low40.6Very low186 Ų186135.1 Ų135.187%0.86981%0.813SS**  trans37.8110.9141.5-58-177105.600118.7
475S42Very low41.1Very low121 Ų121134.7 Ų134.785%0.84681%0.812SS**  trans-130.3121.6148.661.90000110
476N35Very low42Very low169 Ų169136.3 Ų136.390%0.90481%0.808SS**  trans-90.9118-172.6-166.6-13.3000109.5
477A41Very low42.9Very low95 Ų95136.4 Ų136.479%0.78580%0.803SS**  trans-141.3106.7-178.100000111.3
478S41Very low43.6Very low105 Ų105132.9 Ų132.973%0.73479%0.793SS**  trans-71.9140.9-179.355.60000113.3
479Y43.2Very low44.7Very low231 Ų231136.5 Ų136.591%0.90682%0.818SS**  trans-142.8161.6135.2-135.5-96.5000111.4
480L47.2Very low45.1Very low149 Ų149134.9 Ų134.978%0.7882%0.815SS**  trans-98.7142.1-159.8-65.3163.4000113.6
481D43.4Very low45.4Very low144 Ų144131.7 Ų131.777%0.7782%0.817SS**  trans-95.4133.7160.7169.934.4000110G483D481-G483 PolarHBondContact OD1-N 3.45Å
482P55.2Low46.1Very low122 Ų122129.4 Ų129.479%0.79281%0.811SS**  trans-134.584.2149.335.4-19.3000112.2
483G43.2Very low46.4Very low57 Ų57131.6 Ų131.659%0.58882%0.815SS**  31.1156.8113.700000122.2D481D481-G483 PolarHBondContact OD1-N 3.45Å
484A49Very low46.9Very low105 Ų105132.1 Ų132.187%0.86882%0.818SS**  trans95.1108.6170.500000118.3
485S49.6Very low47.6Very low115 Ų115128.5 Ų128.580%0.80481%0.814SS**  trans-65.3173.6157.2-19.50000111.3
486P55.1Low48Very low119 Ų119129 Ų12977%0.77381%0.812SS**  -151.2174.251.542.7-20.9000119.5
487S56.4Low49Very low99 Ų99125.9 Ų125.969%0.69281%0.805SS**  trans-16.6139.8163.559.70000122.7
488S48Very low49.6Very low104 Ų104128.5 Ų128.573%0.72781%0.807SS**  trans70161.3132.3-76.30000120
489P64.5Low50.4Low192 Ų192130.6 Ų130.6100%1.24781%0.813SS**  cis-71.4042.327.7-38000118.1

Retrieved 489 of 489 residues in 184.9 ms (Link to these results)

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