A0A087X5C9_POEFO Loading...

tRNA pseudouridine synthase Pus10

AlphaFold DB , UniProt , Accession A0A087X5C9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 533 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
1M76.3Confident88.4Confident206 Ų20665.4 Ų65.4100%1.01532%0.321SS*.  0100.40-68.8-142.2-67.400109.6E47M1-E47 WeakPolarHBondContact CA-OE2 3.28Å; M1-E47 PolarHBondContact N-OE1 2.74Å; M1-E47 PolarHBondContact N-OE2 3.43Å
2L87.7Confident88.9Confident23 Ų2359.9 Ų59.912%0.1230%0.295CS..  trans-62.6140.3173.6-61.8168.4000110.8L4 L26 A36 T44 E47 L48L2-L4 HydrophobicContact CB-CD1 3.85Å; L2-L4 HydrophobicContact CB-CG 3.98Å; L2-L4 HydrophobicContact CD1-CD1 4.01Å; L2-L4 PolarHBondContact O-N 3Å; L2-L26 HydrophobicContact CD1-CD2 4.03Å; L2-L26 HydrophobicContact CD2-CD1 4.14Å; L2-L26 HydrophobicContact CD2-CD2 3.96Å; L2-L26 HydrophobicContact CG-CD2 4.41Å; L2-A36 HydrophobicContact CD2-CB 3.91Å; L2-T44 HydrophobicContact CD1-CG2 4.05Å; L2-T44 HydrophobicContact CD2-CG2 4.16Å; L2-E47 HydrophobicContact CD1-CB 3.71Å; L2-E47 HydrophobicContact CG-CB 4.16Å; L2-E47 WeakPolarHBondContact CG-OE2 3.29Å; L2-E47 PolarHBondContact N-OE2 3.15Å; L2-L48 HydrophobicContact CD1-CD2 3.71Å; L2-L48 HydrophobicContact CD1-CG 3.89Å
3P89.6Confident89.3Confident66 Ų6661.5 Ų61.543%0.42930%0.301SS..  trans-79.554.7-179.236.2-39000111.6V31 V33P3-V31 HydrophobicContact CG-CG1 3.52Å; P3-V31 HydrophobicContact CG-CG2 4.35Å; P3-V33 HydrophobicContact CB-CG2 4.47Å; P3-V33 HydrophobicContact CG-CB 4.19Å; P3-V33 HydrophobicContact CG-CG2 3.88Å
4L91.2Very high89.6Confident25 Ų2561 Ų6113%0.13130%0.296CS..  trans-94.6150.4179.6-64.5167.9000110.8L2 D8 L26 C29 V31 L48 F51L2-L4 HydrophobicContact CB-CD1 3.85Å; L2-L4 HydrophobicContact CB-CG 3.98Å; L2-L4 HydrophobicContact CD1-CD1 4.01Å; L2-L4 PolarHBondContact O-N 3Å; L4-D8 HydrophobicContact CD2-CB 4.35Å; L4-L26 HydrophobicContact CD2-CD2 4.49Å; L4-C29 HydrophobicContact CD2-CB 3.74Å; L4-V31 HydrophobicContact CD2-CG2 3.75Å; L4-L48 HydrophobicContact CD1-CD2 3.39Å; L4-F51 HydrophobicContact CB-CD1 4.42Å; L4-F51 HydrophobicContact CB-CE1 3.91Å; L4-F51 HydrophobicContact CB-CE2 4.07Å; L4-F51 HydrophobicContact CB-CZ 3.73Å; L4-F51 HydrophobicContact CD1-CD1 3.96Å; L4-F51 HydrophobicContact CD1-CE1 4.12Å; L4-F51 HydrophobicContact CD1-CG 4.38Å
5K89.8Confident90Very high131 Ų13156.9 Ų56.957%0.5728%0.277SS*.  trans-114.5154.2179.8-64.7172.8-179.4178.70109.5K7 D8 F51K5-K7 HydrophobicContact CB-CD 4.26Å; K5-K7 HydrophobicContact CB-CG 3.88Å; K5-K7 HydrophobicContact CD-CD 4.31Å; K5-K7 PolarHBondContact O-N 3.07Å; K5-D8 PolarHBondContact N-OD2 2.82Å; K5-D8 WeakPolarHBondContact O-CA 3.23Å; K5-D8 VanDerWaalsContact O-CB 3.25Å; K5-D8 WeakPolarHBondContact O-CB 3.1Å; K5-D8 PolarHBondContact O-N 2.82Å; K5-F51 WeakPolarHBondContact O-CZ 3.24Å
6E87.3Confident90.3Very high124 Ų12454.8 Ų54.858%0.57927%0.267SS*.G310 helixtrans-48.2-35.6178.8-75.5-59.7131.300114.3D8 K9E6-D8 PolarHBondContact O-N 3Å; E6-K9 VanDerWaalsContact CD-CE 3.4Å; E6-K9 PolarHBondContact O-N 3.24Å; E6-K9 WeakPolarHBondContact OE1-CE 3.19Å; E6-K9 IonicContact OE1-NZ 3.59Å; E6-K9 PolarHBondContact OE1-NZ 3.05Å; E6-K9 WeakPolarHBondContact OE2-CD 3.37Å; E6-K9 WeakPolarHBondContact OE2-CE 3.48Å; E6-K9 IonicContact OE2-NZ 2.74Å; E6-K9 PolarHBondContact OE2-NZ 3.19Å
7K85.6Confident90.5Very high89 Ų8957.4 Ų57.439%0.38729%0.287SS..G310 helixtrans-61.2-21.2176.269.7-172.2-155.1155.40114.2K5 P10 L175K5-K7 HydrophobicContact CB-CD 4.26Å; K5-K7 HydrophobicContact CB-CG 3.88Å; K5-K7 HydrophobicContact CD-CD 4.31Å; K5-K7 PolarHBondContact O-N 3.07Å; K7-P10 WeakPolarHBondContact O-CD 3.49Å; K7-L175 HydrophobicContact CB-CD2 4.08Å; K7-L175 HydrophobicContact CD-CD2 3.34Å; K7-L175 HydrophobicContact CG-CD2 3.74Å
8D90.3Very high90.7Very high7 Ų754.9 Ų54.94%0.03728%0.277CS..G310 helixtrans-85.2-19.4-177.6-54.3-36.6000112.1L4 K5 E6 I11 V12L4-D8 HydrophobicContact CD2-CB 4.35Å; K5-D8 PolarHBondContact N-OD2 2.82Å; K5-D8 WeakPolarHBondContact O-CA 3.23Å; K5-D8 VanDerWaalsContact O-CB 3.25Å; K5-D8 WeakPolarHBondContact O-CB 3.1Å; K5-D8 PolarHBondContact O-N 2.82Å; E6-D8 PolarHBondContact O-N 3Å; D8-I11 WeakPolarHBondContact O-CA 3.26Å; D8-I11 WeakPolarHBondContact O-CB 3.41Å; D8-I11 PolarHBondContact O-N 3.18Å; D8-V12 WeakPolarHBondContact O-CG2 3.36Å; D8-V12 PolarHBondContact O-N 3.37Å
9K91.2Very high90.9Very high19 Ų1952.7 Ų52.78%0.08327%0.269CS..Hα-helixtrans-51.3-47.4-177.5-71-176.7-178.3177.30114.3E6 I11 V12 E13 F51E6-K9 VanDerWaalsContact CD-CE 3.4Å; E6-K9 PolarHBondContact O-N 3.24Å; E6-K9 WeakPolarHBondContact OE1-CE 3.19Å; E6-K9 IonicContact OE1-NZ 3.59Å; E6-K9 PolarHBondContact OE1-NZ 3.05Å; E6-K9 WeakPolarHBondContact OE2-CD 3.37Å; E6-K9 WeakPolarHBondContact OE2-CE 3.48Å; E6-K9 IonicContact OE2-NZ 2.74Å; E6-K9 PolarHBondContact OE2-NZ 3.19Å; K9-I11 VanDerWaalsContact C-N 3.26Å; K9-I11 PolarHBondContact O-N 2.81Å; K9-V12 PolarHBondContact O-N 3.14Å; K9-E13 WeakPolarHBondContact O-CB 3.3Å; K9-E13 PolarHBondContact O-N 2.87Å; K9-F51 HydrophobicContact CB-CE1 4.25Å; K9-F51 HydrophobicContact CD-CE1 4.41Å; K9-F51 HydrophobicContact CD-CZ 4.25Å; K9-F51 WeakPolarHBondContact CE-O 3.47Å; K9-F51 HydrophobicContact CG-CD1 3.94Å; K9-F51 HydrophobicContact CG-CE1 3.3Å; K9-F51 HydrophobicContact CG-CE2 4.17Å; K9-F51 HydrophobicContact CG-CZ 3.43Å; K9-F51 VanDerWaalsContact CG-CZ 3.43Å
10P91Very high91.2Very high27 Ų2750.5 Ų50.518%0.17526%0.258CS..Hα-helixtrans-64-32.3178.9-19.932.9000113K7 K14 E169K7-P10 WeakPolarHBondContact O-CD 3.49Å; P10-K14 WeakPolarHBondContact O-CB 3.4Å; P10-K14 WeakPolarHBondContact O-CG 3.28Å; P10-K14 PolarHBondContact O-N 3.12Å; P10-K14 VanDerWaalsContact O-N 3.13Å; P10-E169 HydrophobicContact CB-CB 4.37Å; P10-E169 HydrophobicContact CB-CG 4.29Å
11I92.4Very high91.4Very high2 Ų248.4 Ų48.41%0.0125%0.248CC..Hα-helixtrans-70.1-47.5176.8-60.6173000109.1D8 K9 E13 K14 L15 F28 V166 V170 L175 L177D8-I11 WeakPolarHBondContact O-CA 3.26Å; D8-I11 WeakPolarHBondContact O-CB 3.41Å; D8-I11 PolarHBondContact O-N 3.18Å; K9-I11 VanDerWaalsContact C-N 3.26Å; K9-I11 PolarHBondContact O-N 2.81Å; I11-E13 PolarHBondContact O-N 2.83Å; I11-K14 PolarHBondContact O-N 2.66Å; I11-L15 HydrophobicContact CG2-CD1 3.57Å; I11-L15 HydrophobicContact CG2-CG 4.22Å; I11-L15 WeakPolarHBondContact O-CB 3.48Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.13Å; I11-F28 HydrophobicContact CG2-CB 4.5Å; I11-V166 HydrophobicContact CG2-CB 4.48Å; I11-V166 HydrophobicContact CG2-CG1 4.32Å; I11-V170 HydrophobicContact CD1-CG2 3.91Å; I11-L175 HydrophobicContact CD1-CD1 3.83Å; I11-L177 HydrophobicContact CD1-CD1 4.42Å
12V94.4Very high92.4Very high0 Ų038.7 Ų38.70%020%0.201CC..Hα-helixtrans-57-49.5176.9178.90000110.8D8 K9 L15 L16 V25 L48 F51 I52D8-V12 WeakPolarHBondContact O-CG2 3.36Å; D8-V12 PolarHBondContact O-N 3.37Å; K9-V12 PolarHBondContact O-N 3.14Å; V12-L15 PolarHBondContact O-N 2.92Å; V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.37Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 WeakPolarHBondContact O-CG 3.3Å; V12-L16 PolarHBondContact O-N 2.85Å; V12-V25 HydrophobicContact CB-CG1 4.06Å; V12-V25 HydrophobicContact CG1-CG1 3.96Å; V12-V25 HydrophobicContact CG2-CG1 3.81Å; V12-L48 HydrophobicContact CG1-CB 4.11Å; V12-L48 HydrophobicContact CG1-CD2 3.94Å; V12-L48 HydrophobicContact CG1-CG 4.47Å; V12-L48 HydrophobicContact CG2-CD2 4.31Å; V12-F51 HydrophobicContact CG2-CD1 4.4Å; V12-F51 HydrophobicContact CG2-CE1 4.26Å; V12-I52 HydrophobicContact CB-CD1 4.21Å; V12-I52 HydrophobicContact CB-CG1 4.32Å; V12-I52 HydrophobicContact CG1-CD1 3.47Å; V12-I52 VanDerWaalsContact CG1-CD1 3.47Å; V12-I52 HydrophobicContact CG1-CG1 3.86Å
13E94Very high92.8Very high80 Ų8038.4 Ų38.437%0.37420%0.198SC..Hα-helixtrans-61.1-48-178.5-174.2177.4-176.200112.3K9 I11 T17 I52K9-E13 WeakPolarHBondContact O-CB 3.3Å; K9-E13 PolarHBondContact O-N 2.87Å; I11-E13 PolarHBondContact O-N 2.83Å; E13-T17 WeakPolarHBondContact O-CB 3.3Å; E13-T17 PolarHBondContact O-N 2.78Å; E13-T17 PolarHBondContact O-OG1 3.17Å; E13-I52 HydrophobicContact CB-CD1 4.26Å
14K93.9Very high93.2Very high55 Ų5535.2 Ų35.224%0.23918%0.177CC..Hα-helixtrans-62.3-45.3177.2-80.8-162.5177.9-176.60112.7P10 I11 T17 A18 V166 E169P10-K14 WeakPolarHBondContact O-CB 3.4Å; P10-K14 WeakPolarHBondContact O-CG 3.28Å; P10-K14 PolarHBondContact O-N 3.12Å; P10-K14 VanDerWaalsContact O-N 3.13Å; I11-K14 PolarHBondContact O-N 2.66Å; K14-T17 PolarHBondContact O-N 3.43Å; K14-A18 VanDerWaalsContact O-CB 3.25Å; K14-A18 WeakPolarHBondContact O-CB 3.39Å; K14-A18 PolarHBondContact O-N 2.9Å; K14-V166 HydrophobicContact CB-CG1 4.42Å; K14-E169 HydrophobicContact CD-CG 3.64Å; K14-E169 VanDerWaalsContact CE-CG 3.45Å; K14-E169 WeakPolarHBondContact CE-OE1 3.47Å; K14-E169 IonicContact NZ-OE1 2.67Å; K14-E169 PolarHBondContact NZ-OE1 2.87Å
15L95.3Very high93.4Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-68.1-41.3-176.9-69.1174.9000112I11 V12 A18 G19 C20 V25 F28 C162 V166I11-L15 HydrophobicContact CG2-CD1 3.57Å; I11-L15 HydrophobicContact CG2-CG 4.22Å; I11-L15 WeakPolarHBondContact O-CB 3.48Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.13Å; V12-L15 PolarHBondContact O-N 2.92Å; L15-A18 PolarHBondContact O-N 3Å; L15-G19 PolarHBondContact O-N 2.82Å; L15-C20 HydrophobicContact CB-CB 4.02Å; L15-C20 WeakPolarHBondContact O-CB 3.49Å; L15-C20 PolarHBondContact O-N 3.04Å; L15-C20 PolarHBondContact O-SG 3.3Å; L15-V25 HydrophobicContact CB-CG2 3.83Å; L15-V25 HydrophobicContact CD1-CG1 4.34Å; L15-V25 HydrophobicContact CD1-CG2 4.5Å; L15-F28 HydrophobicContact CD1-CB 3.39Å; L15-F28 HydrophobicContact CD1-CD2 4.22Å; L15-F28 HydrophobicContact CD1-CG 3.88Å; L15-F28 HydrophobicContact CD2-CG 4.43Å; L15-C162 WeakPolarHBondContact CD2-SG 3.12Å; L15-V166 HydrophobicContact CD1-CG1 4.39Å; L15-V166 HydrophobicContact CD2-CG1 3.5Å; L15-V166 HydrophobicContact CG-CG1 3.73Å
16L94.8Very high93.7Very high23 Ų2327.8 Ų27.812%0.1214%0.144CC..Hα-helixtrans-63.2-43.5174.8-71.5178.3000111.3V12 A18 G19 V25 L45 L48 I52V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.37Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 WeakPolarHBondContact O-CG 3.3Å; V12-L16 PolarHBondContact O-N 2.85Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.33Å; L16-G19 PolarHBondContact O-N 2.77Å; L16-V25 HydrophobicContact CD2-CG2 3.82Å; L16-V25 HydrophobicContact CG-CG2 4.13Å; L16-L45 HydrophobicContact CD2-CD1 3.71Å; L16-L48 HydrophobicContact CD1-CB 4.29Å; L16-I52 HydrophobicContact CD1-CD1 3.74Å
17T93.6Very high94.2Very high98 Ų9821.9 Ų21.960%0.60112%0.117SC*.Hα-helixtrans-64-35.1176.8-54.70000111.9E13 K14 G19E13-T17 WeakPolarHBondContact O-CB 3.3Å; E13-T17 PolarHBondContact O-N 2.78Å; E13-T17 PolarHBondContact O-OG1 3.17Å; K14-T17 PolarHBondContact O-N 3.43Å; T17-G19 PolarHBondContact O-N 2.75Å
18A94.1Very high94.7Very high14 Ų1417.9 Ų17.912%0.11610%0.099CC..THydrogen-bonded Turntrans-73.9-1.1174.600000113.9K14 L15 L16 V113 P272K14-A18 VanDerWaalsContact O-CB 3.25Å; K14-A18 WeakPolarHBondContact O-CB 3.39Å; K14-A18 PolarHBondContact O-N 2.9Å; L15-A18 PolarHBondContact O-N 3Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.33Å; A18-V113 WeakPolarHBondContact O-CG1 3.25Å; A18-V113 VanDerWaalsContact O-CG2 3.23Å; A18-V113 WeakPolarHBondContact O-CG2 3.29Å; A18-P272 HydrophobicContact CB-CB 3.7Å; A18-P272 HydrophobicContact CB-CG 3.91Å
19G95.1Very high94.8Very high12 Ų1218 Ų1812%0.12410%0.101CC..THydrogen-bonded Turntrans83.624.5178.800000114.6L15 L16 T17 C112 V113L15-G19 PolarHBondContact O-N 2.82Å; L16-G19 PolarHBondContact O-N 2.77Å; T17-G19 PolarHBondContact O-N 2.75Å; G19-C112 WeakPolarHBondContact O-CA 3.43Å; G19-V113 PolarHBondContact O-N 2.81Å
20C96.6Very high94.9Very high8 Ų818.7 Ų18.75%0.05411%0.107CC..  trans-77.1138.4171.3-62.80000111.2L15 C24 V25 C162L15-C20 HydrophobicContact CB-CB 4.02Å; L15-C20 WeakPolarHBondContact O-CB 3.49Å; L15-C20 PolarHBondContact O-N 3.04Å; L15-C20 PolarHBondContact O-SG 3.3Å; C20-C24 HydrophobicContact CB-CB 4.29Å; C20-V25 HydrophobicContact CB-CG2 4.08Å; C20-C162 VanDerWaalsContact SG-SG 3.66Å
21C96.2Very high95.1Very high8 Ų817.7 Ų17.75%0.05410%0.101CC..  trans-68.8156.2170.470.60000111.7R23 C24 V25 C112 Q120C21-R23 VanDerWaalsContact C-N 3.27Å; C21-R23 PolarHBondContact O-N 3.08Å; C21-R23 VanDerWaalsContact O-N 3.15Å; C21-C24 WeakPolarHBondContact O-CA 3.29Å; C21-C24 WeakPolarHBondContact O-CB 3.43Å; C21-C24 PolarHBondContact O-N 3.46Å; C21-V25 PolarHBondContact O-N 3.28Å; C21-C112 HydrophobicContact CB-CB 3.84Å; C21-C112 PolarHBondContact N-SG 2.99Å; C21-Q120 HydrophobicContact CB-CG 3.71Å
22A96Very high95.1Very high1 Ų121.7 Ų21.71%0.00813%0.129CC..Hα-helixtrans-50.9-42.3-177.900000113.6V25 L26 Q41 T44 L45 L48A22-V25 WeakPolarHBondContact O-CB 3.5Å; A22-V25 PolarHBondContact O-N 3.36Å; A22-L26 WeakPolarHBondContact O-CG 3.22Å; A22-L26 PolarHBondContact O-N 3.46Å; A22-Q41 HydrophobicContact CB-CG 4.46Å; A22-T44 HydrophobicContact CB-CG2 3.79Å; A22-L45 HydrophobicContact CB-CB 4.14Å; A22-L48 HydrophobicContact CB-CD1 3.69Å
23R96.6Very high95.1Very high17 Ų1725.1 Ų25.16%0.06415%0.15CC..Hα-helixtrans-70.1-33.3177.9-70171.5-177.3147.6-3.3113C21 V25 L26 R27 Y37 Q39 L119 Q120 C123C21-R23 VanDerWaalsContact C-N 3.27Å; C21-R23 PolarHBondContact O-N 3.08Å; C21-R23 VanDerWaalsContact O-N 3.15Å; R23-V25 VanDerWaalsContact C-N 3.34Å; R23-L26 PolarHBondContact O-N 3.28Å; R23-R27 WeakPolarHBondContact O-CG 3.28Å; R23-R27 PolarHBondContact O-N 2.9Å; R23-Y37 HydrophobicContact CB-CD1 4.18Å; R23-Y37 HydrophobicContact CG-CD1 4.27Å; R23-Y37 PolarHBondContact NE-O 3.29Å; R23-Y37 PolarHBondContact NH2-O 2.96Å; R23-Q39 PolarHBondContact NH2-O 2.65Å; R23-L119 HydrophobicContact CB-CB 4.16Å; R23-L119 VanDerWaalsContact CD-O 3.25Å; R23-L119 WeakPolarHBondContact CD-O 3.14Å; R23-L119 PolarHBondContact NH1-O 3.16Å; R23-Q120 PolarHBondContact NH1-O 2.8Å; R23-C123 PolarHBondContact NH1-SG 3.28Å
24C97.3Very high95.1Very high0 Ų024.9 Ų24.90%015%0.148CC..Hα-helixtrans-65-40.4170-85.30000111C20 C21 L26 R27 F28 C115C20-C24 HydrophobicContact CB-CB 4.29Å; C21-C24 WeakPolarHBondContact O-CA 3.29Å; C21-C24 WeakPolarHBondContact O-CB 3.43Å; C21-C24 PolarHBondContact O-N 3.46Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-L26 PolarHBondContact O-N 2.89Å; C24-R27 WeakPolarHBondContact O-CB 3.34Å; C24-R27 PolarHBondContact O-N 2.85Å; C24-R27 VanDerWaalsContact O-N 3.09Å; C24-F28 WeakPolarHBondContact O-CD2 3.46Å; C24-F28 PolarHBondContact O-N 3.4Å; C24-F28 VanDerWaalsContact O-N 3.15Å; C24-C115 VanDerWaalsContact SG-CB 3.58Å; C24-C115 VanDerWaalsContact SG-SG 3.65Å
25V96.8Very high95Very high0 Ų025.1 Ų25.10%016%0.161CC..Hα-helixtrans-56.6-48.6174.2179.40000111.2V12 L15 L16 C20 C21 A22 R23 R27 F28 C29 L48V12-V25 HydrophobicContact CB-CG1 4.06Å; V12-V25 HydrophobicContact CG1-CG1 3.96Å; V12-V25 HydrophobicContact CG2-CG1 3.81Å; L15-V25 HydrophobicContact CB-CG2 3.83Å; L15-V25 HydrophobicContact CD1-CG1 4.34Å; L15-V25 HydrophobicContact CD1-CG2 4.5Å; L16-V25 HydrophobicContact CD2-CG2 3.82Å; L16-V25 HydrophobicContact CG-CG2 4.13Å; C20-V25 HydrophobicContact CB-CG2 4.08Å; C21-V25 PolarHBondContact O-N 3.28Å; A22-V25 WeakPolarHBondContact O-CB 3.5Å; A22-V25 PolarHBondContact O-N 3.36Å; R23-V25 VanDerWaalsContact C-N 3.34Å; V25-R27 PolarHBondContact O-N 3.24Å; V25-F28 PolarHBondContact O-N 2.82Å; V25-C29 PolarHBondContact O-N 3.44Å; V25-C29 PolarHBondContact O-SG 2.89Å; V25-C29 VanDerWaalsContact O-SG 3.4Å; V25-L48 HydrophobicContact CB-CD1 4Å; V25-L48 HydrophobicContact CG1-CD1 4.08Å; V25-L48 HydrophobicContact CG1-CD2 4.3Å; V25-L48 HydrophobicContact CG2-CD1 4.43Å
26L96.4Very high94.9Very high0 Ų025.4 Ų25.40%016%0.163CC..Hα-helixtrans-55.2-37.7176-64.2-176.8000113.1L2 L4 A22 R23 C24 C29 C30 V31 A36 Y37 T44 L48L2-L26 HydrophobicContact CD1-CD2 4.03Å; L2-L26 HydrophobicContact CD2-CD1 4.14Å; L2-L26 HydrophobicContact CD2-CD2 3.96Å; L2-L26 HydrophobicContact CG-CD2 4.41Å; L4-L26 HydrophobicContact CD2-CD2 4.49Å; A22-L26 WeakPolarHBondContact O-CG 3.22Å; A22-L26 PolarHBondContact O-N 3.46Å; R23-L26 PolarHBondContact O-N 3.28Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-L26 PolarHBondContact O-N 2.89Å; L26-C29 CarbonylContact O-C 3.6Å; L26-C29 PolarHBondContact O-N 3.17Å; L26-C30 PolarHBondContact O-N 3.43Å; L26-V31 HydrophobicContact CB-CB 4.24Å; L26-V31 HydrophobicContact CD2-CG2 4.22Å; L26-V31 WeakPolarHBondContact O-CB 3.36Å; L26-V31 PolarHBondContact O-N 3.32Å; L26-A36 HydrophobicContact CD1-CB 4.04Å; L26-Y37 HydrophobicContact CB-CE1 3.88Å; L26-Y37 HydrophobicContact CD1-CE1 4.39Å; L26-Y37 PolarHBondContact O-OH 3.28Å; L26-T44 HydrophobicContact CD1-CG2 3.79Å; L26-T44 HydrophobicContact CG-CG2 4.23Å; L26-L48 HydrophobicContact CD2-CD2 4.28Å
27R96.8Very high94.9Very high0 Ų024.3 Ų24.30%016%0.157CC..Hα-helixtrans-65.5-45.5178.4-67.2168.646.5-163.5-6.8112.5R23 C24 V25 C29 C30 Y37 L119 E159 V182 I183 V185 A188R23-R27 WeakPolarHBondContact O-CG 3.28Å; R23-R27 PolarHBondContact O-N 2.9Å; C24-R27 WeakPolarHBondContact O-CB 3.34Å; C24-R27 PolarHBondContact O-N 2.85Å; C24-R27 VanDerWaalsContact O-N 3.09Å; V25-R27 PolarHBondContact O-N 3.24Å; R27-C29 VanDerWaalsContact C-N 3.28Å; R27-C30 WeakPolarHBondContact O-CA 3.48Å; R27-C30 PolarHBondContact O-N 3.46Å; R27-Y37 WeakPolarHBondContact CA-OH 3Å; R27-Y37 HydrophobicContact CG-CE1 3.8Å; R27-Y37 PolarHBondContact N-OH 3.44Å; R27-L119 VanDerWaalsContact CD-CD1 3.41Å; R27-E159 IonicContact CZ-OE2 3.93Å; R27-E159 IonicContact NH2-OE1 2.7Å; R27-E159 IonicContact NH2-OE2 3.3Å; R27-E159 PolarHBondContact NH2-OE2 3.37Å; R27-V182 HydrophobicContact CB-CG1 4.39Å; R27-I183 HydrophobicContact CB-CB 4.09Å; R27-I183 HydrophobicContact CG-CB 4.01Å; R27-I183 HydrophobicContact CG-CG2 4.12Å; R27-I183 PolarHBondContact NE-O 3.31Å; R27-I183 PolarHBondContact NH2-O 2.69Å; R27-I183 PolarHBondContact O-N 2.97Å; R27-V185 VanDerWaalsContact CZ-CA 3.5Å; R27-V185 VanDerWaalsContact NH2-N 3.15Å; R27-A188 HydrophobicContact CG-CB 4.2Å
28F95.2Very high94.9Very high5 Ų525.1 Ų25.12%0.02215%0.149CC..Hα-helixtrans-70.8-26.2178.2-81.2-88.9000112.1I11 L15 C24 V25 C30 V114 E159 C162 W163 V166 V182I11-F28 HydrophobicContact CG2-CB 4.5Å; L15-F28 HydrophobicContact CD1-CB 3.39Å; L15-F28 HydrophobicContact CD1-CD2 4.22Å; L15-F28 HydrophobicContact CD1-CG 3.88Å; L15-F28 HydrophobicContact CD2-CG 4.43Å; C24-F28 WeakPolarHBondContact O-CD2 3.46Å; C24-F28 PolarHBondContact O-N 3.4Å; C24-F28 VanDerWaalsContact O-N 3.15Å; V25-F28 PolarHBondContact O-N 2.82Å; F28-C30 PolarHBondContact O-N 3.46Å; F28-V114 HydrophobicContact CE2-CG1 4.17Å; F28-V114 HydrophobicContact CE2-CG2 4.42Å; F28-E159 HydrophobicContact CZ-CG 4.09Å; F28-C162 HydrophobicContact CE1-CB 4.27Å; F28-C162 HydrophobicContact CE2-CB 4.44Å; F28-C162 HydrophobicContact CZ-CB 3.77Å; F28-W163 HydrophobicContact CE1-CB 4.16Å; F28-V166 HydrophobicContact CD1-CG2 4.23Å; F28-V182 HydrophobicContact CD1-CG1 4.16Å; F28-V182 HydrophobicContact CD1-CG2 3.98Å; F28-V182 HydrophobicContact CD2-CG1 4.37Å; F28-V182 HydrophobicContact CE1-CG1 4.25Å; F28-V182 HydrophobicContact CE1-CG2 4.29Å; F28-V182 HydrophobicContact CE2-CG1 4.45Å; F28-V182 HydrophobicContact CG-CG1 4.22Å; F28-V182 HydrophobicContact CZ-CG1 4.39Å
29C93.7Very high94.8Very high10 Ų1026.8 Ų26.87%0.06815%0.154CC..THydrogen-bonded Turntrans-79.44.9167.1-62.80000113.4L4 V25 L26 R27 V31L4-C29 HydrophobicContact CD2-CB 3.74Å; V25-C29 PolarHBondContact O-N 3.44Å; V25-C29 PolarHBondContact O-SG 2.89Å; V25-C29 VanDerWaalsContact O-SG 3.4Å; L26-C29 CarbonylContact O-C 3.6Å; L26-C29 PolarHBondContact O-N 3.17Å; R27-C29 VanDerWaalsContact C-N 3.28Å; C29-V31 HydrophobicContact CB-CG2 4.19Å; C29-V31 PolarHBondContact O-N 2.92Å
30C93.5Very high94.5Very high33 Ų3328 Ų2822%0.22316%0.163CC..THydrogen-bonded Turntrans56.531.7177-540000113.9L26 R27 F28 S32 L177 D181L26-C30 PolarHBondContact O-N 3.43Å; R27-C30 WeakPolarHBondContact O-CA 3.48Å; R27-C30 PolarHBondContact O-N 3.46Å; F28-C30 PolarHBondContact O-N 3.46Å; C30-S32 PolarHBondContact O-N 2.75Å; C30-S32 VanDerWaalsContact O-N 3.09Å; C30-L177 HydrophobicContact CB-CD2 4.3Å; C30-D181 PolarHBondContact SG-O 3.26Å; C30-D181 VanDerWaalsContact SG-O 3.37Å
31V94.2Very high94.1Very high6 Ų629 Ų294%0.03617%0.168CC..  trans-71.9104177.1172.30000109.1P3 L4 L26 C29 V33 A36 Y37 I183P3-V31 HydrophobicContact CG-CG1 3.52Å; P3-V31 HydrophobicContact CG-CG2 4.35Å; L4-V31 HydrophobicContact CD2-CG2 3.75Å; L26-V31 HydrophobicContact CB-CB 4.24Å; L26-V31 HydrophobicContact CD2-CG2 4.22Å; L26-V31 WeakPolarHBondContact O-CB 3.36Å; L26-V31 PolarHBondContact O-N 3.32Å; C29-V31 HydrophobicContact CB-CG2 4.19Å; C29-V31 PolarHBondContact O-N 2.92Å; V31-V33 HydrophobicContact CG1-CB 4.33Å; V31-A36 HydrophobicContact CG1-CB 4Å; V31-Y37 HydrophobicContact CG1-CE2 4.47Å; V31-Y37 WeakPolarHBondContact O-CE2 3.25Å; V31-Y37 PolarHBondContact O-OH 2.79Å; V31-I183 WeakPolarHBondContact O-CD1 3.44Å
32S92.8Very high93.8Very high86 Ų8633.9 Ų33.960%0.60119%0.189SC*.  trans-86.8-2.7-178.559.20000114.4C30 Q34C30-S32 PolarHBondContact O-N 2.75Å; C30-S32 VanDerWaalsContact O-N 3.09Å; S32-Q34 PolarHBondContact O-N 3.13Å; S32-Q34 VanDerWaalsContact O-N 3.11Å
33V94.4Very high93.6Very high72 Ų7238.4 Ų38.444%0.43621%0.21SC..  trans-73.9103.2179.9-1790000109.9P3 V31 A35 A36P3-V33 HydrophobicContact CB-CG2 4.47Å; P3-V33 HydrophobicContact CG-CB 4.19Å; P3-V33 HydrophobicContact CG-CG2 3.88Å; V31-V33 HydrophobicContact CG1-CB 4.33Å; V33-A35 HydrophobicContact CG1-CB 4.24Å; V33-A35 PolarHBondContact O-N 2.64Å; V33-A35 VanDerWaalsContact O-N 3.14Å; V33-A36 VanDerWaalsContact O-CB 3.28Å; V33-A36 WeakPolarHBondContact O-CB 3.38Å; V33-A36 PolarHBondContact O-N 3.47Å
34Q93.6Very high93.4Very high75 Ų7537.6 Ų37.635%0.3521%0.207SC..Hα-helixtrans-54.5-36-176.5-60.6-174.8-1.300113.6S32 A36 Y37 R38 W191S32-Q34 PolarHBondContact O-N 3.13Å; S32-Q34 VanDerWaalsContact O-N 3.11Å; Q34-A36 PolarHBondContact O-N 3.34Å; Q34-Y37 PolarHBondContact O-N 3.5Å; Q34-Y37 VanDerWaalsContact O-N 3.07Å; Q34-R38 PolarHBondContact O-N 2.75Å; Q34-W191 HydrophobicContact CB-CB 4.26Å; Q34-W191 HydrophobicContact CB-CD2 4.47Å; Q34-W191 HydrophobicContact CB-CG 4.32Å; Q34-W191 HydrophobicContact CG-CB 4.19Å; Q34-W191 HydrophobicContact CG-CD2 3.75Å; Q34-W191 HydrophobicContact CG-CE3 4.18Å; Q34-W191 HydrophobicContact CG-CG 3.73Å
35A92.3Very high93.2Very high60 Ų6040 Ų4050%0.49622%0.219SC..Hα-helixtrans-59.5-30.5179.100000112.8V33 Y37 R38V33-A35 HydrophobicContact CG1-CB 4.24Å; V33-A35 PolarHBondContact O-N 2.64Å; V33-A35 VanDerWaalsContact O-N 3.14Å; A35-Y37 VanDerWaalsContact C-N 3.25Å; A35-Y37 PolarHBondContact O-N 2.87Å; A35-R38 PolarHBondContact O-N 2.86Å
36A93.8Very high93Very high5 Ų546 Ų464%0.04125%0.245CC..Hα-helixtrans-64.3-30177.200000112.5L2 L26 V31 V33 Q34L2-A36 HydrophobicContact CD2-CB 3.91Å; L26-A36 HydrophobicContact CD1-CB 4.04Å; V31-A36 HydrophobicContact CG1-CB 4Å; V33-A36 VanDerWaalsContact O-CB 3.28Å; V33-A36 WeakPolarHBondContact O-CB 3.38Å; V33-A36 PolarHBondContact O-N 3.47Å; Q34-A36 PolarHBondContact O-N 3.34Å
37Y95Very high92.9Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-81.3-24.7178.9-65.9-92.1000113.1R23 L26 R27 V31 Q34 A35 Q39 I183 A188 W191 I192R23-Y37 HydrophobicContact CB-CD1 4.18Å; R23-Y37 HydrophobicContact CG-CD1 4.27Å; R23-Y37 PolarHBondContact NE-O 3.29Å; R23-Y37 PolarHBondContact NH2-O 2.96Å; L26-Y37 HydrophobicContact CB-CE1 3.88Å; L26-Y37 HydrophobicContact CD1-CE1 4.39Å; L26-Y37 PolarHBondContact O-OH 3.28Å; R27-Y37 WeakPolarHBondContact CA-OH 3Å; R27-Y37 HydrophobicContact CG-CE1 3.8Å; R27-Y37 PolarHBondContact N-OH 3.44Å; V31-Y37 HydrophobicContact CG1-CE2 4.47Å; V31-Y37 WeakPolarHBondContact O-CE2 3.25Å; V31-Y37 PolarHBondContact O-OH 2.79Å; Q34-Y37 PolarHBondContact O-N 3.5Å; Q34-Y37 VanDerWaalsContact O-N 3.07Å; A35-Y37 VanDerWaalsContact C-N 3.25Å; A35-Y37 PolarHBondContact O-N 2.87Å; Y37-Q39 VanDerWaalsContact C-N 3.3Å; Y37-I183 VanDerWaalsContact OH-CD1 3.3Å; Y37-I183 WeakPolarHBondContact OH-CD1 3.23Å; Y37-A188 HydrophobicContact CD1-CB 4Å; Y37-A188 HydrophobicContact CE1-CB 4Å; Y37-W191 AromaticContact CD2-CE3 3.66Å; Y37-W191 HydrophobicContact CD2-CE3 3.66Å; Y37-W191 AromaticContact CD2-CZ3 3.95Å; Y37-W191 HydrophobicContact CD2-CZ3 3.95Å; Y37-W191 AromaticContact CE2-CE3 3.74Å; Y37-W191 HydrophobicContact CE2-CE3 3.74Å; Y37-W191 AromaticContact CE2-CZ3 3.52Å; Y37-W191 HydrophobicContact CE2-CZ3 3.52Å; Y37-W191 HydrophobicContact CG-CE3 4.23Å; Y37-I192 WeakPolarHBondContact O-CG1 3.26Å
38R92.9Very high92.8Very high115 Ų11549 Ų4943%0.43426%0.259SS..Hα-helixtrans-79.1-12.4-177.6-66178.3-174.4154.17.8113.4Q34 A35 W191Q34-R38 PolarHBondContact O-N 2.75Å; A35-R38 PolarHBondContact O-N 2.86Å; R38-W191 PolarHBondContact NE-O 3.25Å; R38-W191 PolarHBondContact NH2-O 3.08Å
39Q91.2Very high92.7Very high49 Ų4951.4 Ų51.423%0.22927%0.271CS..SBendtrans-63.2156.4172.1-66.6-179.7-7.500111.2R23 Y37 T44R23-Q39 PolarHBondContact NH2-O 2.65Å; Y37-Q39 VanDerWaalsContact C-N 3.3Å; Q39-T44 PolarHBondContact OE1-OG1 3.35Å
40A89.5Confident92.7Very high38 Ų3854.6 Ų54.631%0.31429%0.29SS..  trans-65.5137173.800000109.4H42 E43 T44A40-H42 VanDerWaalsContact CB-CE1 3.44Å; A40-H42 WeakPolarHBondContact CB-CE1 3.47Å; A40-H42 PolarHBondContact O-N 2.94Å; A40-H42 VanDerWaalsContact O-N 3.12Å; A40-E43 HydrophobicContact CB-CG 4.1Å; A40-E43 WeakPolarHBondContact O-CB 3.41Å; A40-E43 PolarHBondContact O-N 3.43Å; A40-T44 PolarHBondContact O-N 2.86Å; A40-T44 VanDerWaalsContact O-N 3.09Å; A40-T44 PolarHBondContact O-OG1 3Å
41Q87.6Confident92.6Very high30 Ų3054.3 Ų54.314%0.1429%0.285CS..Hα-helixtrans-56.4-37.1-172.5-179.3-179.4-14.700112.8A22 E43 T44 L45 Q120A22-Q41 HydrophobicContact CB-CG 4.46Å; Q41-E43 VanDerWaalsContact C-N 3.34Å; Q41-T44 PolarHBondContact O-N 3.35Å; Q41-L45 WeakPolarHBondContact O-CB 3.19Å; Q41-L45 PolarHBondContact O-N 2.85Å; Q41-Q120 VanDerWaalsContact OE1-CB 3.23Å
42H89.3Confident92.6Very high110 Ų11055.6 Ų55.651%0.50929%0.292SS..Hα-helixtrans-69-31.1179.469-91.6000112.6A40 K46A40-H42 VanDerWaalsContact CB-CE1 3.44Å; A40-H42 WeakPolarHBondContact CB-CE1 3.47Å; A40-H42 PolarHBondContact O-N 2.94Å; A40-H42 VanDerWaalsContact O-N 3.12Å; H42-K46 VanDerWaalsContact O-CG 3.27Å; H42-K46 WeakPolarHBondContact O-CG 3.49Å; H42-K46 PolarHBondContact O-N 3.08Å; H42-K46 VanDerWaalsContact O-N 3.08Å
43E91.8Very high92.3Very high96 Ų9657.3 Ų57.345%0.44929%0.292SS..Hα-helixtrans-71.8-46.8174.6-62.4177.5154.200110.2A40 Q41 L45 K46 E47A40-E43 HydrophobicContact CB-CG 4.1Å; A40-E43 WeakPolarHBondContact O-CB 3.41Å; A40-E43 PolarHBondContact O-N 3.43Å; Q41-E43 VanDerWaalsContact C-N 3.34Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.15Å; E43-K46 WeakPolarHBondContact O-CB 3.45Å; E43-K46 PolarHBondContact O-N 2.83Å; E43-K46 VanDerWaalsContact O-N 3.15Å; E43-E47 PolarHBondContact O-N 3.41Å
44T92.9Very high91.5Very high0 Ų059.3 Ų59.30%030%0.296CS..Hα-helixtrans-58.8-41.8175.1-49.60000111L2 A22 L26 Q39 A40 Q41 E47 L48L2-T44 HydrophobicContact CD1-CG2 4.05Å; L2-T44 HydrophobicContact CD2-CG2 4.16Å; A22-T44 HydrophobicContact CB-CG2 3.79Å; L26-T44 HydrophobicContact CD1-CG2 3.79Å; L26-T44 HydrophobicContact CG-CG2 4.23Å; Q39-T44 PolarHBondContact OE1-OG1 3.35Å; A40-T44 PolarHBondContact O-N 2.86Å; A40-T44 VanDerWaalsContact O-N 3.09Å; A40-T44 PolarHBondContact O-OG1 3Å; Q41-T44 PolarHBondContact O-N 3.35Å; T44-E47 PolarHBondContact O-N 3.23Å; T44-L48 HydrophobicContact CG2-CD1 4.43Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.21Å; T44-L48 PolarHBondContact O-N 2.94Å
45L93.3Very high89.6Confident49 Ų4961.9 Ų61.926%0.25731%0.306SS..Hα-helixtrans-62.1-44176.5-178.361000111.9L16 A22 Q41 E43 L48 Q49L16-L45 HydrophobicContact CD2-CD1 3.71Å; A22-L45 HydrophobicContact CB-CB 4.14Å; Q41-L45 WeakPolarHBondContact O-CB 3.19Å; Q41-L45 PolarHBondContact O-N 2.85Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.15Å; L45-L48 PolarHBondContact O-N 2.88Å; L45-Q49 HydrophobicContact CD1-CG 4.45Å; L45-Q49 WeakPolarHBondContact O-CG 2.97Å; L45-Q49 PolarHBondContact O-N 2.83Å
46K92.8Very high87.5Confident126 Ų12666.4 Ų66.455%0.54832%0.317SS..Hα-helixtrans-60.8-46.3174.9-74.6171.9-177-179.50111.5H42 E43 L48 Q49 T50H42-K46 VanDerWaalsContact O-CG 3.27Å; H42-K46 WeakPolarHBondContact O-CG 3.49Å; H42-K46 PolarHBondContact O-N 3.08Å; H42-K46 VanDerWaalsContact O-N 3.08Å; E43-K46 WeakPolarHBondContact O-CB 3.45Å; E43-K46 PolarHBondContact O-N 2.83Å; E43-K46 VanDerWaalsContact O-N 3.15Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-L48 PolarHBondContact O-N 2.77Å; K46-Q49 PolarHBondContact O-N 3.14Å; K46-T50 PolarHBondContact O-N 2.9Å; K46-T50 PolarHBondContact O-OG1 2.85Å; K46-T50 VanDerWaalsContact O-OG1 3.08Å
47E94.4Very high84.8Confident63 Ų6373 Ų7329%0.29435%0.352SS..Hα-helixtrans-59.6-41176.6-73.2-162.6-150.900111.6M1 L2 E43 T44 F51M1-E47 WeakPolarHBondContact CA-OE2 3.28Å; M1-E47 PolarHBondContact N-OE1 2.74Å; M1-E47 PolarHBondContact N-OE2 3.43Å; L2-E47 HydrophobicContact CD1-CB 3.71Å; L2-E47 HydrophobicContact CG-CB 4.16Å; L2-E47 WeakPolarHBondContact CG-OE2 3.29Å; L2-E47 PolarHBondContact N-OE2 3.15Å; E43-E47 PolarHBondContact O-N 3.41Å; T44-E47 PolarHBondContact O-N 3.23Å; E47-F51 VanDerWaalsContact O-CB 3.25Å; E47-F51 WeakPolarHBondContact O-CB 3.25Å; E47-F51 PolarHBondContact O-N 3.03Å
48L94.5Very high82.1Confident0 Ų080 Ų800%039%0.389CS..Hα-helixtrans-65.6-40.1175.8-69.1174000112.8L2 L4 V12 L16 A22 V25 L26 T44 L45 K46 F51 I52L2-L48 HydrophobicContact CD1-CD2 3.71Å; L2-L48 HydrophobicContact CD1-CG 3.89Å; L4-L48 HydrophobicContact CD1-CD2 3.39Å; V12-L48 HydrophobicContact CG1-CB 4.11Å; V12-L48 HydrophobicContact CG1-CD2 3.94Å; V12-L48 HydrophobicContact CG1-CG 4.47Å; V12-L48 HydrophobicContact CG2-CD2 4.31Å; L16-L48 HydrophobicContact CD1-CB 4.29Å; A22-L48 HydrophobicContact CB-CD1 3.69Å; V25-L48 HydrophobicContact CB-CD1 4Å; V25-L48 HydrophobicContact CG1-CD1 4.08Å; V25-L48 HydrophobicContact CG1-CD2 4.3Å; V25-L48 HydrophobicContact CG2-CD1 4.43Å; L26-L48 HydrophobicContact CD2-CD2 4.28Å; T44-L48 HydrophobicContact CG2-CD1 4.43Å; T44-L48 VanDerWaalsContact O-CG 3.27Å; T44-L48 WeakPolarHBondContact O-CG 3.21Å; T44-L48 PolarHBondContact O-N 2.94Å; L45-L48 PolarHBondContact O-N 2.88Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-L48 PolarHBondContact O-N 2.77Å; L48-F51 PolarHBondContact O-N 2.89Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 3.29Å; L48-I52 VanDerWaalsContact O-N 3.16Å
49Q93.3Very high79.4Confident57 Ų5783 Ų8327%0.26641%0.405SS..Hα-helixtrans-65.7-47.6177.6-74.6172.3-23.700111.1L45 K46 F51 I52 M53L45-Q49 HydrophobicContact CD1-CG 4.45Å; L45-Q49 WeakPolarHBondContact O-CG 2.97Å; L45-Q49 PolarHBondContact O-N 2.83Å; K46-Q49 PolarHBondContact O-N 3.14Å; Q49-F51 VanDerWaalsContact C-N 3.3Å; Q49-F51 PolarHBondContact O-N 2.83Å; Q49-I52 PolarHBondContact O-N 3.48Å; Q49-M53 VanDerWaalsContact O-CG 3.32Å; Q49-M53 WeakPolarHBondContact O-CG 3.5Å; Q49-M53 PolarHBondContact O-N 3.13Å; Q49-M53 VanDerWaalsContact O-N 3.07Å
50T93Very high76.8Confident77 Ų7786.9 Ų86.947%0.47243%0.432SS..Hα-helixtrans-57.4-45174.3-56.90000111.1K46 I52 M53 E54K46-T50 PolarHBondContact O-N 2.9Å; K46-T50 PolarHBondContact O-OG1 2.85Å; K46-T50 VanDerWaalsContact O-OG1 3.08Å; T50-I52 VanDerWaalsContact C-N 3.29Å; T50-I52 PolarHBondContact O-N 2.87Å; T50-M53 PolarHBondContact O-N 2.88Å; T50-M53 VanDerWaalsContact O-N 3.07Å; T50-E54 WeakPolarHBondContact O-CG 3.49Å; T50-E54 PolarHBondContact O-N 2.97Å; T50-E54 VanDerWaalsContact O-N 3.08Å
51F92.9Very high74Confident26 Ų2693.5 Ų93.511%0.11446%0.457CS..Hα-helixtrans-57.8-37178.4175.9-112.2000113.2L4 K5 K9 V12 E47 L48 Q49L4-F51 HydrophobicContact CB-CD1 4.42Å; L4-F51 HydrophobicContact CB-CE1 3.91Å; L4-F51 HydrophobicContact CB-CE2 4.07Å; L4-F51 HydrophobicContact CB-CZ 3.73Å; L4-F51 HydrophobicContact CD1-CD1 3.96Å; L4-F51 HydrophobicContact CD1-CE1 4.12Å; L4-F51 HydrophobicContact CD1-CG 4.38Å; K5-F51 WeakPolarHBondContact O-CZ 3.24Å; K9-F51 HydrophobicContact CB-CE1 4.25Å; K9-F51 HydrophobicContact CD-CE1 4.41Å; K9-F51 HydrophobicContact CD-CZ 4.25Å; K9-F51 WeakPolarHBondContact CE-O 3.47Å; K9-F51 HydrophobicContact CG-CD1 3.94Å; K9-F51 HydrophobicContact CG-CE1 3.3Å; K9-F51 HydrophobicContact CG-CE2 4.17Å; K9-F51 HydrophobicContact CG-CZ 3.43Å; K9-F51 VanDerWaalsContact CG-CZ 3.43Å; V12-F51 HydrophobicContact CG2-CD1 4.4Å; V12-F51 HydrophobicContact CG2-CE1 4.26Å; E47-F51 VanDerWaalsContact O-CB 3.25Å; E47-F51 WeakPolarHBondContact O-CB 3.25Å; E47-F51 PolarHBondContact O-N 3.03Å; L48-F51 PolarHBondContact O-N 2.89Å; Q49-F51 VanDerWaalsContact C-N 3.3Å; Q49-F51 PolarHBondContact O-N 2.83Å
52I92.6Very high71.4Confident34 Ų34100.1 Ų100.117%0.17449%0.493CS..Hα-helixtrans-72.9-40.1175-64.6161.2000111.3V12 E13 L16 L48 Q49 T50 E54V12-I52 HydrophobicContact CB-CD1 4.21Å; V12-I52 HydrophobicContact CB-CG1 4.32Å; V12-I52 HydrophobicContact CG1-CD1 3.47Å; V12-I52 VanDerWaalsContact CG1-CD1 3.47Å; V12-I52 HydrophobicContact CG1-CG1 3.86Å; E13-I52 HydrophobicContact CB-CD1 4.26Å; L16-I52 HydrophobicContact CD1-CD1 3.74Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 3.29Å; L48-I52 VanDerWaalsContact O-N 3.16Å; Q49-I52 PolarHBondContact O-N 3.48Å; T50-I52 VanDerWaalsContact C-N 3.29Å; T50-I52 PolarHBondContact O-N 2.87Å; I52-E54 PolarHBondContact O-N 3.27Å
53M86.9Confident68.6Low122 Ų122100.4 Ų100.460%0.60151%0.508SS*.Hα-helixtrans-72-24-174.7-68.7-179.476.600114.4Q49 T50 K55 E56Q49-M53 VanDerWaalsContact O-CG 3.32Å; Q49-M53 WeakPolarHBondContact O-CG 3.5Å; Q49-M53 PolarHBondContact O-N 3.13Å; Q49-M53 VanDerWaalsContact O-N 3.07Å; T50-M53 PolarHBondContact O-N 2.88Å; T50-M53 VanDerWaalsContact O-N 3.07Å; M53-K55 PolarHBondContact O-N 2.87Å; M53-E56 PolarHBondContact O-N 2.96Å; M53-E56 VanDerWaalsContact O-N 3.16Å
54E78.2Confident65.6Low114 Ų114100.7 Ų100.753%0.53353%0.526SS..THydrogen-bonded Turntrans-59.4-3.2176.8-77.1173.1179.600114.6T50 I52T50-E54 WeakPolarHBondContact O-CG 3.49Å; T50-E54 PolarHBondContact O-N 2.97Å; T50-E54 VanDerWaalsContact O-N 3.08Å; I52-E54 PolarHBondContact O-N 3.27Å
55K54Low62.6Low129 Ų129108.9 Ų108.956%0.56157%0.57SS**THydrogen-bonded Turntrans-75.5-19.1174.5-159.2-179.7-179-174.10114M53M53-K55 PolarHBondContact O-N 2.87Å
56E46.8Very low59.5Low155 Ų155113.8 Ų113.872%0.72460%0.595SS**SBendtrans-84.6-23.2-171.5-70.5-172.515700114.6M53M53-E56 PolarHBondContact O-N 2.96Å; M53-E56 VanDerWaalsContact O-N 3.16Å
57N38.5Very low56.4Low144 Ų144117 Ų11777%0.7761%0.609SS**G310 helixtrans-88.6-16.8-175.8-91.70.1000115.7
58N38.6Very low53.6Low147 Ų147119.2 Ų119.279%0.78663%0.629SS**G310 helixtrans-98.211.9-173.1-77-12.1000114.9
59K36.2Very low50.3Low176 Ų176126.9 Ų126.977%0.76566%0.664SS**G310 helixtrans-103.9-0.8179.1-88.1-169.7174.5-170.80115.7
60V34.8Very low47Very low132 Ų132130.3 Ų130.380%0.868%0.684SS**SBendtrans-96.7-1.8-176-177.60000113.3
61Q32.4Very low43.8Very low176 Ų176132 Ų13282%0.82269%0.694SS**SBendtrans-119.813-166-138.9143-1.400117.2
62D32Very low40.5Very low169 Ų169138.6 Ų138.690%0.90473%0.726SS**  trans-132.178.3173-85-34.1000111.2
63S30.1Very low37.3Very low117 Ų117143.9 Ų143.982%0.81875%0.753SS**  trans-155.18815563.40000110.7
64A29.1Very low34.3Very low101 Ų101142.6 Ų142.684%0.83576%0.757SS**  trans-157.2110.9147.300000109.4
65D30.4Very low31.8Very low173 Ų173145.3 Ų145.393%0.92577%0.769SS**  trans-61.6152.9178.2-87.8-52.5000114.2
66I28.6Very low30.4Very low152 Ų152145 Ų14578%0.77978%0.778SS**  trans-89137.3173.9-59.8169.8000109.4
67K27.6Very low29.5Very low193 Ų193142.7 Ų142.784%0.83978%0.775SS**  trans163.5162.3130.1-91.6-173.1-175.2-178.50113.1
68P34.8Very low28.8Very low110 Ų110144 Ų14471%0.71478%0.776SS**  -132.1-178.5-86.230.4-5.3000114.8
69H25.5Very low28.3Very low161 Ų161144.2 Ų144.275%0.74578%0.777SS**  trans85.4119.4158.8-88.9-68.9000122.2
70D24.7Very low28.6Very low129 Ų129140.8 Ų140.869%0.6977%0.773SS**  trans75.4111.4131.1-71.44.7000124.2
71T24.4Very low29Very low111 Ų111139.5 Ų139.568%0.68177%0.768SS**  85.4113.3125.3-37.20000120.9
72E24.5Very low28.7Very low166 Ų166136 Ų13678%0.77676%0.762SS**  trans77.6128.6142.7-81-179.9-178.800124.8
73L24.7Very low28.4Very low144 Ų144136.9 Ų136.975%0.75476%0.757SS**  trans76.8114.1137.5-84.6145.8000122.8
74S24.5Very low28.3Very low96 Ų96143.3 Ų143.367%0.67176%0.763SS**  97.812112876.60000121.6
75Q25.7Very low28.1Very low170 Ų170143.1 Ų143.179%0.79476%0.762SS**  trans69.8120.1130.3-71-174.9-8.300122.5
76T24.5Very low27.9Very low122 Ų122144 Ų14475%0.74876%0.758SS**  trans59.8148.5132.360.30000119.5
77V27.1Very low27.7Very low107 Ų107143.1 Ų143.165%0.64875%0.754SS**  cis-177.2157.51.4139.60000105.3
78E25Very low27.6Very low172 Ų172140.6 Ų140.680%0.80475%0.75SS**  trans78.9101.3155.7-84.2158.2-149.600124.1
79D27.1Very low27.2Very low151 Ų151140.8 Ų140.881%0.80775%0.751SS**  68.6162.7100.9-103.35.6000123.1
80P43.7Very low27.3Very low104 Ų104141.3 Ų141.368%0.67576%0.758SS**  -118-140-122.535.5-11.2000110.4
81P43.5Very low27.3Very low106 Ų106144.1 Ų144.169%0.68877%0.766SS**  cis-141.6-179.9-13.437.7-15.5000116.9
82C25Very low27.2Very low103 Ų103143.2 Ų143.270%0.69677%0.77SS**  trans72.2131.2135.6-93.10000125.2
83K25.3Very low27.2Very low187 Ų187141.4 Ų141.481%0.81377%0.77SS**  trans91.5105.6130.4-74.4171.7-176.5177.90121.9
84R28.7Very low27.2Very low251 Ų251143.4 Ų143.495%0.94778%0.775SS**  28.4130.9122.7-80.5-177.9172.7172.9-1.8121.7
85A25.4Very low27.2Very low98 Ų98144.2 Ų144.281%0.8178%0.781SS**  trans-163.2122.5134.600000108.5
86K24.8Very low27.4Very low190 Ų190145 Ų14583%0.82679%0.785SS**  82.6111.167.9-99.3-165.9175.1-174.10116.2
87L24.6Very low27.4Very low135 Ų135145.9 Ų145.971%0.70779%0.79SS**  trans52.5139.5135.8-62.4159.2000118.4
88D25.4Very low27.6Very low139 Ų139148.7 Ų148.774%0.74380%0.802SS**  cis-163.6172.117.2-103.7-32.7000108.9
89P27.4Very low27.7Very low114 Ų114145.1 Ų145.174%0.7480%0.802SS**  trans-96.8154.4-16336.3-32.2000115.8
90I27.1Very low27.8Very low173 Ų173142.7 Ų142.789%0.88780%0.803SS**  trans-124.6137.8162.6-64.2176.9000108.5
91E24.8Very low27.1Very low188 Ų188142.6 Ų142.688%0.87981%0.81SS**  trans-60.1139.7-174.9-61.2172.7143.300114.6
92A23.2Very low26.5Very low91 Ų91145.9 Ų145.975%0.75282%0.819SS**  152.9147.2106.600000113.6
93V23.6Very low27.1Very low128 Ų128145.8 Ų145.878%0.77682%0.815SS**  trans89.4100.6155.9-1610000118.9
94Q25.8Very low27.7Very low186 Ų186143.1 Ų143.187%0.86981%0.814SS**  trans31.4114139.6-64.1176.4-18.500119.9
95S23Very low28.8Very low114 Ų114135.2 Ų135.280%0.79779%0.79SS**  trans-159.4130.1131.960.20000110.3
96E29.9Very low29.9Very low187 Ų187137.2 Ų137.287%0.87478%0.781SS**  trans-55.3139.9171-61.9173.4149.400111.5
97T24.6Very low31Very low139 Ų139138.6 Ų138.685%0.85379%0.787SS**  trans-176.9147.6136.922.10000111.3
98D32.8Very low32.3Very low166 Ų166140 Ų14089%0.88879%0.789SS**  trans-49.4139-170.5-66.4-61.6000117.2
99A27Very low34Very low98 Ų98138.3 Ų138.381%0.8179%0.786SS**  trans-149.4104.9157.900000112.9
100A29Very low36.8Very low100 Ų100135.2 Ų135.283%0.82677%0.767SS**  trans40.4101.1146.100000119.4M102A100-M102 PolarHBondContact O-N 3.35Å
101A28.9Very low40.1Very low101 Ų101128.6 Ų128.684%0.83574%0.735SS**  trans-70.2109.4160.700000110.6V103A101-V103 PolarHBondContact O-N 3.48Å
102M30.6Very low43.5Very low176 Ų176119.7 Ų119.787%0.86769%0.693SS**  trans-60.5120.8164.4-103.3173.769.200110A100 T104A100-M102 PolarHBondContact O-N 3.35Å; M102-T104 PolarHBondContact O-N 2.89Å; M102-T104 VanDerWaalsContact O-N 3.15Å
103V37.5Very low47Very low100 Ų100115.3 Ų115.361%0.60666%0.657SS**  trans-66.4109.7176.4179.20000109.3A101 L105A101-V103 PolarHBondContact O-N 3.48Å; V103-L105 HydrophobicContact CG1-CD2 4.44Å; V103-L105 HydrophobicContact CG1-CG 4.17Å; V103-L105 PolarHBondContact O-N 3.39Å
104T37.1Very low50.5Low131 Ų131109.2 Ų109.280%0.80462%0.621SS**  trans-89.790.4176.2-44.30000108.9M102 K106M102-T104 PolarHBondContact O-N 2.89Å; M102-T104 VanDerWaalsContact O-N 3.15Å; T104-K106 PolarHBondContact O-N 2.68Å
105L52.9Low53.9Low86 Ų86100.4 Ų100.445%0.4558%0.579SS.*  trans-66.7119.6173.1-71.7162.7000109.3V103 K107V103-L105 HydrophobicContact CG1-CD2 4.44Å; V103-L105 HydrophobicContact CG1-CG 4.17Å; V103-L105 PolarHBondContact O-N 3.39Å; L105-K107 PolarHBondContact O-N 2.71Å
106K47.3Very low57.4Low140 Ų14095 Ų9561%0.60954%0.541SS*.  trans-54.6136.1179.2-75.9-178.4178.21780110.8T104 E275T104-K106 PolarHBondContact O-N 2.68Å; K106-E275 IonicContact NZ-OE1 3.98Å; K106-E275 PolarHBondContact NZ-OE1 3.33Å; K106-E275 IonicContact NZ-OE2 2.61Å; K106-E275 PolarHBondContact NZ-OE2 3.08Å
107K48.4Very low60.6Low218 Ų21886.1 Ų86.195%0.94850%0.5SS*.SBendtrans-85.8-14.8-170.8-121.8177.3-177.8178.70114.9L105L105-K107 PolarHBondContact O-N 2.71Å
108E52.8Low64.1Low164 Ų16479.5 Ų79.577%0.76646%0.459SS*.SBendtrans-116.4139.7177.7-69.6-174.9168.900110.4S110E108-S110 PolarHBondContact O-N 2.71Å
109P60.9Low67.1Low104 Ų10471.6 Ų71.668%0.67542%0.417SS*.  trans-70.8100-179.227.9-31.2000109.7
110S86.1Confident70.3Confident49 Ų4967.4 Ų67.434%0.34338%0.381SS..PPolyproline II helixtrans-63.7158.2167.760.40000110.8E108 C112 Q120E108-S110 PolarHBondContact O-N 2.71Å; S110-C112 PolarHBondContact O-N 3.22Å; S110-Q120 PolarHBondContact O-NE2 2.91Å; S110-Q120 VanDerWaalsContact O-NE2 3.17Å
111V95.2Very high73.3Confident35 Ų3568.8 Ų68.821%0.21238%0.375CS..PPolyproline II helixtrans-62.4131.9173.5-179.60000109.4V113 P276 G278 S279V111-V113 PolarHBondContact O-N 2.86Å; V111-P276 HydrophobicContact CB-CG 3.85Å; V111-P276 HydrophobicContact CG1-CG 3.68Å; V111-G278 WeakPolarHBondContact CG1-O 3.38Å; V111-S279 WeakPolarHBondContact CG2-OG 3.33Å
112C97.1Very high76.4Confident0 Ų065.2 Ų65.20%034%0.341CS..PPolyproline II helixtrans-61.8125.1-176.6178.70000111G19 C21 S110 V114 C115 L116G19-C112 WeakPolarHBondContact O-CA 3.43Å; C21-C112 HydrophobicContact CB-CB 3.84Å; C21-C112 PolarHBondContact N-SG 2.99Å; S110-C112 PolarHBondContact O-N 3.22Å; C112-V114 PolarHBondContact O-N 2.98Å; C112-V114 VanDerWaalsContact O-N 3.08Å; C112-C115 VanDerWaalsContact CB-SG 3.53Å; C112-C115 PolarHBondContact SG-N 3.43Å; C112-L116 VanDerWaalsContact O-CA 3.29Å; C112-L116 WeakPolarHBondContact O-CA 3.2Å; C112-L116 PolarHBondContact O-N 2.87Å
113V96.8Very high79.4Confident0 Ų056.9 Ų56.90%030%0.3CS..THydrogen-bonded Turntrans-63.9-18.1-179.1-53.60000114A18 G19 V111 R158 P273 E275A18-V113 WeakPolarHBondContact O-CG1 3.25Å; A18-V113 VanDerWaalsContact O-CG2 3.23Å; A18-V113 WeakPolarHBondContact O-CG2 3.29Å; G19-V113 PolarHBondContact O-N 2.81Å; V111-V113 PolarHBondContact O-N 2.86Å; V113-R158 WeakPolarHBondContact O-CD 3.37Å; V113-R158 PolarHBondContact O-NH1 3.36Å; V113-P273 HydrophobicContact CB-CB 4.27Å; V113-P273 HydrophobicContact CG2-CB 4.4Å; V113-P273 HydrophobicContact CG2-CG 4.4Å; V113-E275 HydrophobicContact CG1-CG 4.26Å
114V96.8Very high82.1Confident0 Ų052.8 Ų52.80%028%0.278CS..THydrogen-bonded Turntrans-97.9-55.2-178.6-179.80000112.9F28 C112 L155 E159 C162F28-V114 HydrophobicContact CE2-CG1 4.17Å; F28-V114 HydrophobicContact CE2-CG2 4.42Å; C112-V114 PolarHBondContact O-N 2.98Å; C112-V114 VanDerWaalsContact O-N 3.08Å; V114-L155 WeakPolarHBondContact O-CD2 3.39Å; V114-E159 HydrophobicContact CG1-CB 4.3Å; V114-C162 HydrophobicContact CG2-CB 3.67Å; V114-C162 VanDerWaalsContact CG2-SG 3.54Å
115C97.4Very high84.8Confident0 Ų050.2 Ų50.20%026%0.264CS..THydrogen-bonded Turntrans-97.4-3.8-174.572.90000113.9C24 C112 G117 I118 L119 V185C24-C115 VanDerWaalsContact SG-CB 3.58Å; C24-C115 VanDerWaalsContact SG-SG 3.65Å; C112-C115 VanDerWaalsContact CB-SG 3.53Å; C112-C115 PolarHBondContact SG-N 3.43Å; C115-G117 VanDerWaalsContact C-N 3.31Å; C115-G117 PolarHBondContact O-N 2.83Å; C115-I118 HydrophobicContact CB-CB 4.41Å; C115-I118 WeakPolarHBondContact O-CB 3.25Å; C115-I118 VanDerWaalsContact O-CG1 3.25Å; C115-I118 WeakPolarHBondContact O-CG1 3.4Å; C115-I118 PolarHBondContact O-N 3.26Å; C115-L119 HydrophobicContact CB-CB 4.49Å; C115-L119 HydrophobicContact CB-CG 4.31Å; C115-L119 PolarHBondContact SG-N 3.07Å; C115-V185 HydrophobicContact CB-CG1 4.45Å
116L97.2Very high86.8Confident0 Ų052.6 Ų52.60%028%0.277CS..THydrogen-bonded Turntrans51.848.1176.9-52.3-177000112C112 I118 L155 H220 T223 P276 C280C112-L116 VanDerWaalsContact O-CA 3.29Å; C112-L116 WeakPolarHBondContact O-CA 3.2Å; C112-L116 PolarHBondContact O-N 2.87Å; L116-I118 VanDerWaalsContact C-N 3.31Å; L116-I118 PolarHBondContact O-N 3.4Å; L116-L155 HydrophobicContact CB-CD2 4.18Å; L116-L155 HydrophobicContact CD1-CD2 3.46Å; L116-L155 VanDerWaalsContact CD1-CD2 3.46Å; L116-L155 HydrophobicContact CG-CD2 3.57Å; L116-H220 HydrophobicContact CD1-CB 3.99Å; L116-T223 WeakPolarHBondContact CD1-OG1 3.34Å; L116-P276 HydrophobicContact CD2-CB 3.72Å; L116-P276 HydrophobicContact CD2-CG 3.73Å; L116-C280 VanDerWaalsContact CB-SG 3.59Å; L116-C280 WeakPolarHBondContact O-CB 3.19Å; L116-C280 PolarHBondContact O-N 3.13Å; L116-C280 PolarHBondContact O-SG 2.86Å
117G96.1Very high89Confident1 Ų146.7 Ų46.71%0.0125%0.251CS..THydrogen-bonded Turntrans83.1-10.617900000116.2C115 L119 Q120 L122C115-G117 VanDerWaalsContact C-N 3.31Å; C115-G117 PolarHBondContact O-N 2.83Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 2.9Å; G117-Q120 PolarHBondContact O-N 3.16Å; G117-L122 PolarHBondContact O-N 2.74Å
118I97.4Very high91.3Very high0 Ų036.3 Ų36.30%021%0.206CC..THydrogen-bonded Turntrans-60.8-40.1-176.1-66.6178.8000112.7C115 L116 Q120 L122 C123 L151 L155 V185 F189 F218 C280C115-I118 HydrophobicContact CB-CB 4.41Å; C115-I118 WeakPolarHBondContact O-CB 3.25Å; C115-I118 VanDerWaalsContact O-CG1 3.25Å; C115-I118 WeakPolarHBondContact O-CG1 3.4Å; C115-I118 PolarHBondContact O-N 3.26Å; L116-I118 VanDerWaalsContact C-N 3.31Å; L116-I118 PolarHBondContact O-N 3.4Å; I118-Q120 VanDerWaalsContact C-N 3.31Å; I118-L122 HydrophobicContact CG1-CD1 4.29Å; I118-C123 VanDerWaalsContact O-CB 3.32Å; I118-C123 WeakPolarHBondContact O-CB 3.13Å; I118-C123 PolarHBondContact O-SG 3.14Å; I118-C123 VanDerWaalsContact O-SG 3.39Å; I118-L151 HydrophobicContact CD1-CD2 3.47Å; I118-L151 VanDerWaalsContact CD1-CD2 3.47Å; I118-L151 HydrophobicContact CG2-CD2 4.18Å; I118-L155 HydrophobicContact CD1-CD1 3.59Å; I118-V185 HydrophobicContact CB-CG1 4.34Å; I118-V185 HydrophobicContact CG2-CG1 3.82Å; I118-F189 HydrophobicContact CG2-CD2 3.9Å; I118-F218 HydrophobicContact CD1-CB 3.97Å; I118-F218 HydrophobicContact CD1-CD2 4.13Å; I118-F218 HydrophobicContact CD1-CG 4.02Å; I118-F218 HydrophobicContact CG1-CD1 4.33Å; I118-F218 HydrophobicContact CG1-CD2 4.4Å; I118-F218 HydrophobicContact CG1-CG 4.17Å; I118-F218 HydrophobicContact CG2-CE2 4.33Å; I118-C280 HydrophobicContact CD1-CB 4.36Å; I118-C280 HydrophobicContact CG1-CB 3.93Å
119L96.9Very high93.4Very high0 Ų030.8 Ų30.80%018%0.184CC..THydrogen-bonded Turntrans-94.317.2176.1-59.4179.2000112.6R23 R27 C115 G117 C123 V185 A188 F189 I192R23-L119 HydrophobicContact CB-CB 4.16Å; R23-L119 VanDerWaalsContact CD-O 3.25Å; R23-L119 WeakPolarHBondContact CD-O 3.14Å; R23-L119 PolarHBondContact NH1-O 3.16Å; R27-L119 VanDerWaalsContact CD-CD1 3.41Å; C115-L119 HydrophobicContact CB-CB 4.49Å; C115-L119 HydrophobicContact CB-CG 4.31Å; C115-L119 PolarHBondContact SG-N 3.07Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 2.9Å; L119-C123 WeakPolarHBondContact CA-SG 3.46Å; L119-V185 HydrophobicContact CD1-CG1 4.37Å; L119-V185 HydrophobicContact CD2-CG1 4.42Å; L119-V185 HydrophobicContact CG-CG1 4.18Å; L119-A188 HydrophobicContact CD1-CB 3.94Å; L119-A188 HydrophobicContact CD2-CB 4.03Å; L119-F189 HydrophobicContact CD2-CB 4.03Å; L119-I192 HydrophobicContact CD2-CD1 4.19Å
120Q94.8Very high95.1Very high10 Ų1029.7 Ų29.75%0.04717%0.168CC..THydrogen-bonded Turntrans-110.3-108.1176.4-58.7179.2-98.200109.5C21 R23 Q41 S110 G117 I118 L122C21-Q120 HydrophobicContact CB-CG 3.71Å; R23-Q120 PolarHBondContact NH1-O 2.8Å; Q41-Q120 VanDerWaalsContact OE1-CB 3.23Å; S110-Q120 PolarHBondContact O-NE2 2.91Å; S110-Q120 VanDerWaalsContact O-NE2 3.17Å; G117-Q120 PolarHBondContact O-N 3.16Å; I118-Q120 VanDerWaalsContact C-N 3.31Å; Q120-L122 VanDerWaalsContact C-N 3.34Å
121D91.3Very high95.6Very high130 Ų13027.4 Ų27.470%0.69515%0.152SC*.G310 helixtrans-78.8-20.2-175.1-52.3-45.6000112.3C123D121-C123 VanDerWaalsContact C-N 3.29Å; D121-C123 PolarHBondContact O-N 2.99Å
122L94.8Very high95.7Very high25 Ų2525.9 Ų25.913%0.13114%0.144CC..G310 helixtrans-82.8-0.1-178.2-58.6176.9000114.2G117 I118 Q120 F218 C280 P282G117-L122 PolarHBondContact O-N 2.74Å; I118-L122 HydrophobicContact CG1-CD1 4.29Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; L122-F218 HydrophobicContact CB-CE1 3.86Å; L122-F218 HydrophobicContact CB-CZ 4.23Å; L122-F218 HydrophobicContact CD1-CD1 4.04Å; L122-F218 HydrophobicContact CD1-CE1 3.84Å; L122-F218 HydrophobicContact CD2-CE1 4.5Å; L122-F218 HydrophobicContact CG-CE1 4.28Å; L122-C280 HydrophobicContact CD1-CB 3.71Å; L122-C280 VanDerWaalsContact CD1-O 3.24Å; L122-C280 WeakPolarHBondContact CD1-O 3.09Å; L122-P282 HydrophobicContact CD2-CG 4.25Å
123C93.6Very high95.7Very high1 Ų131.8 Ų31.81%0.00717%0.171CC..G310 helixtrans-126.942.9176.268.70000112.8R23 I118 L119 D121 F189 I192 M193R23-C123 PolarHBondContact NH1-SG 3.28Å; I118-C123 VanDerWaalsContact O-CB 3.32Å; I118-C123 WeakPolarHBondContact O-CB 3.13Å; I118-C123 PolarHBondContact O-SG 3.14Å; I118-C123 VanDerWaalsContact O-SG 3.39Å; L119-C123 WeakPolarHBondContact CA-SG 3.46Å; D121-C123 VanDerWaalsContact C-N 3.29Å; D121-C123 PolarHBondContact O-N 2.99Å; C123-F189 HydrophobicContact CB-CD2 3.66Å; C123-F189 HydrophobicContact CB-CE2 3.74Å; C123-I192 HydrophobicContact CB-CD1 4.47Å; C123-I192 HydrophobicContact CB-CG2 4.39Å; C123-I192 WeakPolarHBondContact O-CG2 3.43Å; C123-M193 VanDerWaalsContact C-SD 3.54Å; C123-M193 HydrophobicContact CB-CG 4.41Å; C123-M193 HydrophobicContact CB-SD 4.07Å
124G92.6Very high95.7Very high14 Ų1433.4 Ų33.414%0.14418%0.181CC..SBendtrans-113.6-172.7-177.700000115.2D126 Q127 A128G124-D126 VanDerWaalsContact C-N 3.31Å; G124-D126 PolarHBondContact O-N 3.2Å; G124-Q127 PolarHBondContact O-N 3.03Å; G124-A128 PolarHBondContact O-N 2.94Å
125P94.3Very high95.7Very high77 Ų7733.5 Ų33.550%0.518%0.182SC..Hα-helixtrans-54.4-41.5176.7-26.936.1000113.7Q127 A128 V129P125-Q127 PolarHBondContact O-N 2.87Å; P125-A128 CarbonylContact O-C 3.55Å; P125-A128 WeakPolarHBondContact O-CA 3.3Å; P125-A128 WeakPolarHBondContact O-CB 3.44Å; P125-A128 PolarHBondContact O-N 2.79Å; P125-V129 WeakPolarHBondContact O-CG2 3.35Å; P125-V129 PolarHBondContact O-N 2.83Å
126D94.1Very high95.7Very high137 Ų13738.6 Ų38.673%0.73320%0.204SC*.Hα-helixtrans-62.8-43.9-177.1-60.3-13.1000112G124 A128 V129 K130G124-D126 VanDerWaalsContact C-N 3.31Å; G124-D126 PolarHBondContact O-N 3.2Å; D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 2.96Å; D126-V129 PolarHBondContact O-N 3.25Å; D126-K130 PolarHBondContact O-N 2.93Å
127Q94.7Very high95.7Very high15 Ų1542.5 Ų42.57%0.0724%0.236CC..Hα-helixtrans-62.8-38.2174-175.363.642.800111.1G124 P125 K130 M131 M193G124-Q127 PolarHBondContact O-N 3.03Å; P125-Q127 PolarHBondContact O-N 2.87Å; Q127-K130 PolarHBondContact O-N 2.73Å; Q127-M131 HydrophobicContact CG-SD 4.36Å; Q127-M131 WeakPolarHBondContact O-CB 3.14Å; Q127-M131 VanDerWaalsContact O-CG 3.23Å; Q127-M131 WeakPolarHBondContact O-CG 3.3Å; Q127-M131 PolarHBondContact O-N 3Å; Q127-M193 HydrophobicContact CB-CE 3.98Å; Q127-M193 HydrophobicContact CG-CE 3.83Å
128A95.9Very high95.7Very high0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-68.7-36.8178.400000112.3G124 P125 D126 M131 A132 M193 L196 V197 Q200G124-A128 PolarHBondContact O-N 2.94Å; P125-A128 CarbonylContact O-C 3.55Å; P125-A128 WeakPolarHBondContact O-CA 3.3Å; P125-A128 WeakPolarHBondContact O-CB 3.44Å; P125-A128 PolarHBondContact O-N 2.79Å; D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 2.96Å; A128-M131 PolarHBondContact O-N 3.16Å; A128-A132 WeakPolarHBondContact O-CB 3.42Å; A128-A132 PolarHBondContact O-N 3.35Å; A128-M193 HydrophobicContact CB-CE 3.79Å; A128-L196 HydrophobicContact CB-CB 3.58Å; A128-V197 HydrophobicContact CB-CG2 4.24Å; A128-Q200 HydrophobicContact CB-CG 4.21Å
129V96.9Very high95.6Very high48 Ų4851.9 Ų51.929%0.29128%0.283SS..Hα-helixtrans-62.4-51.2172.2170.90000109.8P125 D126 M131 A132 E133 Q200P125-V129 WeakPolarHBondContact O-CG2 3.35Å; P125-V129 PolarHBondContact O-N 2.83Å; D126-V129 PolarHBondContact O-N 3.25Å; V129-M131 VanDerWaalsContact C-N 3.27Å; V129-M131 PolarHBondContact O-N 2.67Å; V129-A132 PolarHBondContact O-N 3.44Å; V129-E133 HydrophobicContact CG1-CG 4.17Å; V129-E133 WeakPolarHBondContact O-CB 3.38Å; V129-E133 WeakPolarHBondContact O-CG 3.45Å; V129-E133 PolarHBondContact O-N 3.36Å; V129-Q200 HydrophobicContact CG2-CG 4.37Å
130K96.4Very high95.7Very high81 Ų8152.7 Ų52.735%0.35229%0.286SS..Hα-helixtrans-55-43.4177.3-165.5-169.9176.9-176.30111.9D126 Q127 T134 I285D126-K130 PolarHBondContact O-N 2.93Å; Q127-K130 PolarHBondContact O-N 2.73Å; K130-T134 WeakPolarHBondContact O-CB 3.22Å; K130-T134 PolarHBondContact O-N 2.75Å; K130-T134 PolarHBondContact O-OG1 2.85Å; K130-I285 HydrophobicContact CB-CD1 4.01Å; K130-I285 HydrophobicContact CD-CD1 3.74Å; K130-I285 HydrophobicContact CG-CD1 3.54Å; K130-I285 WeakPolarHBondContact O-CD1 3.39Å
131M97.1Very high95.7Very high1 Ų155.6 Ų55.61%0.00530%0.3CS..Hα-helixtrans-61.4-48.8175.2-72178.383.400112.1Q127 A128 V129 T134 V135 L147 M193 V197 V214 I285Q127-M131 HydrophobicContact CG-SD 4.36Å; Q127-M131 WeakPolarHBondContact O-CB 3.14Å; Q127-M131 VanDerWaalsContact O-CG 3.23Å; Q127-M131 WeakPolarHBondContact O-CG 3.3Å; Q127-M131 PolarHBondContact O-N 3Å; A128-M131 PolarHBondContact O-N 3.16Å; V129-M131 VanDerWaalsContact C-N 3.27Å; V129-M131 PolarHBondContact O-N 2.67Å; M131-T134 PolarHBondContact O-N 3.28Å; M131-V135 VanDerWaalsContact O-CG2 3.24Å; M131-V135 WeakPolarHBondContact O-CG2 3.42Å; M131-V135 PolarHBondContact O-N 2.81Å; M131-L147 HydrophobicContact CE-CD2 3.63Å; M131-M193 HydrophobicContact SD-CE 3.79Å; M131-V197 HydrophobicContact SD-CG2 4.2Å; M131-V214 HydrophobicContact CE-CG1 3.73Å; M131-I285 HydrophobicContact CB-CD1 4.39Å; M131-I285 HydrophobicContact CG-CD1 3.83Å; M131-I285 HydrophobicContact CG-CG1 3.95Å; M131-I285 HydrophobicContact CG-CG2 4.38Å
132A97.1Very high96Very high4 Ų451.8 Ų51.83%0.03328%0.277CS..Hα-helixtrans-66-41.6-179.100000112.7A128 V129 V135 K136 Q200 L201A128-A132 WeakPolarHBondContact O-CB 3.42Å; A128-A132 PolarHBondContact O-N 3.35Å; V129-A132 PolarHBondContact O-N 3.44Å; A132-V135 PolarHBondContact O-N 2.99Å; A132-K136 WeakPolarHBondContact O-CB 3.37Å; A132-K136 VanDerWaalsContact O-CG 3.31Å; A132-K136 WeakPolarHBondContact O-CG 3.21Å; A132-K136 PolarHBondContact O-N 3.43Å; A132-Q200 HydrophobicContact CB-CB 3.49Å; A132-Q200 VanDerWaalsContact CB-CB 3.49Å; A132-L201 HydrophobicContact CB-CD2 3.78Å; A132-L201 HydrophobicContact CB-CG 4.04Å
133E97.2Very high96Very high123 Ų12355.2 Ų55.258%0.57530%0.296SS*.Hα-helixtrans-60.8-44.8175.3-72.5177.1164.700111.3V129 K136 A137V129-E133 HydrophobicContact CG1-CG 4.17Å; V129-E133 WeakPolarHBondContact O-CB 3.38Å; V129-E133 WeakPolarHBondContact O-CG 3.45Å; V129-E133 PolarHBondContact O-N 3.36Å; E133-K136 PolarHBondContact O-N 3.13Å; E133-A137 VanDerWaalsContact O-CB 3.29Å; E133-A137 WeakPolarHBondContact O-CB 3.4Å; E133-A137 PolarHBondContact O-N 2.96Å
134T97.6Very high96.2Very high34 Ų3457.1 Ų57.121%0.20931%0.307CS..Hα-helixtrans-61.5-47.4176.3-53.90000111K130 M131 K136 A137 Q138 I285K130-T134 WeakPolarHBondContact O-CB 3.22Å; K130-T134 PolarHBondContact O-N 2.75Å; K130-T134 PolarHBondContact O-OG1 2.85Å; M131-T134 PolarHBondContact O-N 3.28Å; T134-K136 PolarHBondContact O-N 2.93Å; T134-A137 PolarHBondContact O-N 3.36Å; T134-Q138 HydrophobicContact CG2-CG 4.38Å; T134-Q138 WeakPolarHBondContact O-CG 3.36Å; T134-Q138 PolarHBondContact O-N 3.2Å; T134-I285 HydrophobicContact CG2-CB 4.02Å; T134-I285 HydrophobicContact CG2-CG2 4.01Å
135V97.4Very high96.4Very high3 Ų356.5 Ų56.52%0.01830%0.301CS..Hα-helixtrans-59.3-45.6178.31690000111.5M131 A132 Q138 N139 F142 L201 F212 V214M131-V135 VanDerWaalsContact O-CG2 3.24Å; M131-V135 WeakPolarHBondContact O-CG2 3.42Å; M131-V135 PolarHBondContact O-N 2.81Å; A132-V135 PolarHBondContact O-N 2.99Å; V135-Q138 PolarHBondContact O-N 3.24Å; V135-N139 PolarHBondContact O-N 3.06Å; V135-F142 HydrophobicContact CG1-CE1 3.88Å; V135-F142 HydrophobicContact CG1-CE2 4.45Å; V135-F142 HydrophobicContact CG1-CZ 3.45Å; V135-F142 VanDerWaalsContact CG1-CZ 3.45Å; V135-L201 HydrophobicContact CB-CD2 4.24Å; V135-L201 HydrophobicContact CG1-CD1 4.26Å; V135-L201 HydrophobicContact CG1-CD2 4Å; V135-F212 HydrophobicContact CG1-CE1 4.08Å; V135-F212 HydrophobicContact CG1-CZ 4.33Å; V135-V214 HydrophobicContact CG2-CB 4.37Å; V135-V214 HydrophobicContact CG2-CG1 3.77Å; V135-V214 HydrophobicContact CG2-CG2 3.61Å
136K96.5Very high96.6Very high107 Ų10754 Ų5447%0.46528%0.284SS..Hα-helixtrans-64.8-40.6178.3-70.8-178.1-170-167.40111.5A132 E133 T134 Q138 N139 Q200 L201 E202A132-K136 WeakPolarHBondContact O-CB 3.37Å; A132-K136 VanDerWaalsContact O-CG 3.31Å; A132-K136 WeakPolarHBondContact O-CG 3.21Å; A132-K136 PolarHBondContact O-N 3.43Å; E133-K136 PolarHBondContact O-N 3.13Å; T134-K136 PolarHBondContact O-N 2.93Å; K136-Q138 VanDerWaalsContact C-N 3.33Å; K136-Q138 PolarHBondContact O-N 2.88Å; K136-N139 PolarHBondContact O-N 2.84Å; K136-Q200 PolarHBondContact NZ-O 3.22Å; K136-L201 HydrophobicContact CG-CD2 4.3Å; K136-E202 IonicContact NZ-OE1 3.75Å; K136-E202 PolarHBondContact NZ-OE1 3.43Å
137A97.3Very high96.7Very high82 Ų8247.7 Ų47.768%0.67825%0.25SS*.Hα-helixtrans-65.9-34.1179.600000113.1E133 T134 N139E133-A137 VanDerWaalsContact O-CB 3.29Å; E133-A137 WeakPolarHBondContact O-CB 3.4Å; E133-A137 PolarHBondContact O-N 2.96Å; T134-A137 PolarHBondContact O-N 3.36Å; A137-N139 VanDerWaalsContact C-N 3.34Å
138Q95.8Very high96.8Very high91 Ų9148.1 Ų48.143%0.42526%0.255SS..Hα-helixtrans-75.4-20.6-179.5-66.3-74.4-29.900113.3T134 V135 K136 Y140 C287 H368T134-Q138 HydrophobicContact CG2-CG 4.38Å; T134-Q138 WeakPolarHBondContact O-CG 3.36Å; T134-Q138 PolarHBondContact O-N 3.2Å; V135-Q138 PolarHBondContact O-N 3.24Å; K136-Q138 VanDerWaalsContact C-N 3.33Å; K136-Q138 PolarHBondContact O-N 2.88Å; Q138-Y140 HydrophobicContact CB-CD2 3.62Å; Q138-Y140 HydrophobicContact CB-CE2 3.56Å; Q138-Y140 HydrophobicContact CG-CE2 4.28Å; Q138-Y140 PolarHBondContact O-N 3.45Å; Q138-C287 HydrophobicContact CG-CB 4.47Å; Q138-H368 PolarHBondContact O-CD2 3.37Å
139N95.8Very high96.8Very high107 Ų10749.1 Ų49.157%0.57226%0.261SS*.THydrogen-bonded Turntrans58.943171.2-166.531.2000115.1V135 K136 A137 R335V135-N139 PolarHBondContact O-N 3.06Å; K136-N139 PolarHBondContact O-N 2.84Å; A137-N139 VanDerWaalsContact C-N 3.34Å; N139-R335 PolarHBondContact ND2-NH1 3.12Å; N139-R335 PolarHBondContact O-NH1 3.21Å
140Y97.8Very high96.8Very high16 Ų1649.8 Ų49.86%0.06327%0.268CS..  trans-74.8146.4168.6-73-94.5000111.6Q138 F142 F212 C287 H289 N366 H368Q138-Y140 HydrophobicContact CB-CD2 3.62Å; Q138-Y140 HydrophobicContact CB-CE2 3.56Å; Q138-Y140 HydrophobicContact CG-CE2 4.28Å; Q138-Y140 PolarHBondContact O-N 3.45Å; Y140-F142 VanDerWaalsContact O-CD1 3.29Å; Y140-F142 WeakPolarHBondContact O-CD1 3.16Å; Y140-F142 WeakPolarHBondContact O-CE1 3.32Å; Y140-F212 HydrophobicContact CD1-CD2 4.16Å; Y140-F212 AromaticContact CD1-CE2 3.76Å; Y140-F212 HydrophobicContact CD1-CE2 3.76Å; Y140-F212 AromaticContact CD2-CE2 3.6Å; Y140-F212 HydrophobicContact CD2-CE2 3.6Å; Y140-F212 AromaticContact CD2-CZ 3.93Å; Y140-F212 HydrophobicContact CD2-CZ 3.93Å; Y140-F212 HydrophobicContact CE1-CE2 4.3Å; Y140-F212 HydrophobicContact CE2-CE2 4.13Å; Y140-F212 HydrophobicContact CG-CD2 4.15Å; Y140-F212 AromaticContact CG-CE2 3.41Å; Y140-F212 HydrophobicContact CG-CE2 3.41Å; Y140-F212 VanDerWaalsContact CG-CE2 3.41Å; Y140-F212 AromaticContact CG-CZ 4Å; Y140-F212 HydrophobicContact CG-CZ 4Å; Y140-C287 HydrophobicContact CD2-CB 4.13Å; Y140-C287 HydrophobicContact CE2-CB 3.65Å; Y140-C287 PolarHBondContact OH-O 3.36Å; Y140-H289 HydrophobicContact CD1-CB 4.03Å; Y140-H289 HydrophobicContact CE1-CB 4.03Å; Y140-N366 WeakPolarHBondContact CE1-OD1 3.1Å; Y140-N366 PolarHBondContact OH-ND2 2.81Å; Y140-N366 PolarHBondContact OH-OD1 3.42Å; Y140-H368 CarbonylContact C-O 3.56Å; Y140-H368 HydrophobicContact CD1-CB 4.16Å; Y140-H368 AromaticContact CD1-CD2 3.8Å; Y140-H368 AromaticContact CD1-CG 3.94Å; Y140-H368 AromaticContact CD2-CD2 3.7Å; Y140-H368 HydrophobicContact CE1-CB 4.4Å; Y140-H368 AromaticContact CE1-CD2 3.59Å; Y140-H368 AromaticContact CE1-CE1 3.96Å; Y140-H368 AromaticContact CE1-CG 3.75Å; Y140-H368 AromaticContact CE1-ND1 3.98Å; Y140-H368 AromaticContact CE1-NE2 3.76Å; Y140-H368 AromaticContact CE2-CD2 3.51Å; Y140-H368 AromaticContact CE2-NE2 3.44Å; Y140-H368 WeakPolarHBondContact CE2-NE2 3.4Å; Y140-H368 AromaticContact CG-CD2 3.82Å; Y140-H368 AromaticContact CZ-CD2 3.41Å; Y140-H368 VanDerWaalsContact CZ-CD2 3.41Å; Y140-H368 AromaticContact CZ-CE1 3.65Å; Y140-H368 AromaticContact CZ-NE2 3.18Å; Y140-H368 PolarHBondContact OH-CE1 3.25Å; Y140-H368 PolarHBondContact OH-NE2 3.23Å
141E96.4Very high96.7Very high71 Ų7147 Ų4733%0.33226%0.257SS..  trans-90117.8165.5-70.2171.8-141.800110.5R335 H368 R369E141-R335 IonicContact OE1-NH2 3.27Å; E141-R335 PolarHBondContact OE1-NH2 2.99Å; E141-H368 PolarHBondContact N-O 3.09Å; E141-R369 WeakPolarHBondContact OE1-CB 3.45Å; E141-R369 VanDerWaalsContact OE1-CD 3.26Å; E141-R369 WeakPolarHBondContact OE1-CD 3.29Å; E141-R369 VanDerWaalsContact OE1-CG 3.29Å; E141-R369 WeakPolarHBondContact OE1-CG 3.33Å; E141-R369 IonicContact OE1-NE 2.82Å; E141-R369 WeakPolarHBondContact OE2-CG 3.48Å; E141-R369 IonicContact OE2-NE 2.75Å
142F96.1Very high96.7Very high50 Ų5047.5 Ų47.522%0.21926%0.26CS..  trans-156.1152.4178.957.6-86.4000110.9V135 Y140 V204 F212V135-F142 HydrophobicContact CG1-CE1 3.88Å; V135-F142 HydrophobicContact CG1-CE2 4.45Å; V135-F142 HydrophobicContact CG1-CZ 3.45Å; V135-F142 VanDerWaalsContact CG1-CZ 3.45Å; Y140-F142 VanDerWaalsContact O-CD1 3.29Å; Y140-F142 WeakPolarHBondContact O-CD1 3.16Å; Y140-F142 WeakPolarHBondContact O-CE1 3.32Å; F142-V204 HydrophobicContact CD2-CG1 4.31Å; F142-V204 HydrophobicContact CE2-CG1 4Å; F142-V204 HydrophobicContact CE2-CG2 4.32Å; F142-F212 HydrophobicContact CB-CB 3.7Å; F142-F212 HydrophobicContact CB-CD1 3.86Å; F142-F212 HydrophobicContact CB-CG 3.86Å; F142-F212 AromaticContact CD1-CD1 3.5Å; F142-F212 HydrophobicContact CD1-CD1 3.5Å; F142-F212 HydrophobicContact CD1-CD2 4.42Å; F142-F212 AromaticContact CD1-CE1 3.51Å; F142-F212 HydrophobicContact CD1-CE1 3.51Å; F142-F212 HydrophobicContact CD1-CE2 4.43Å; F142-F212 AromaticContact CD1-CG 3.99Å; F142-F212 HydrophobicContact CD1-CG 3.99Å; F142-F212 AromaticContact CD1-CZ 4Å; F142-F212 HydrophobicContact CD1-CZ 4Å; F142-F212 AromaticContact CD2-CD1 3.58Å; F142-F212 HydrophobicContact CD2-CD1 3.58Å; F142-F212 HydrophobicContact CD2-CE1 4.02Å; F142-F212 HydrophobicContact CD2-CG 4.44Å; F142-F212 AromaticContact CE1-CD1 3.92Å; F142-F212 HydrophobicContact CE1-CD1 3.92Å; F142-F212 AromaticContact CE1-CE1 3.45Å; F142-F212 HydrophobicContact CE1-CE1 3.45Å; F142-F212 VanDerWaalsContact CE1-CE1 3.45Å; F142-F212 AromaticContact CE1-CZ 3.93Å; F142-F212 HydrophobicContact CE1-CZ 3.93Å; F142-F212 AromaticContact CE2-CD1 3.98Å; F142-F212 HydrophobicContact CE2-CD1 3.98Å; F142-F212 AromaticContact CE2-CE1 3.96Å; F142-F212 HydrophobicContact CE2-CE1 3.96Å; F142-F212 HydrophobicContact CG-CB 4.19Å; F142-F212 AromaticContact CG-CD1 3.33Å; F142-F212 HydrophobicContact CG-CD1 3.33Å; F142-F212 AromaticContact CG-CE1 3.81Å; F142-F212 HydrophobicContact CG-CE1 3.81Å; F142-F212 AromaticContact CG-CG 3.83Å; F142-F212 HydrophobicContact CG-CG 3.83Å; F142-F212 HydrophobicContact CZ-CD1 4.15Å; F142-F212 AromaticContact CZ-CE1 3.7Å; F142-F212 HydrophobicContact CZ-CE1 3.7Å
143D95.3Very high96.6Very high97 Ų9747.8 Ų47.852%0.51926%0.262SS..SBendtrans-98.6-32.2175.3-63-14.1000112.5R371D143-R371 IonicContact OD1-CZ 2.81Å; D143-R371 IonicContact OD1-NH1 2.78Å; D143-R371 PolarHBondContact OD1-NH1 2.58Å; D143-R371 IonicContact OD1-NH2 3.71Å; D143-R371 IonicContact OD2-CZ 3.84Å; D143-R371 IonicContact OD2-NH1 3.79Å; D143-R371 PolarHBondContact OD2-NH1 3.26Å; D143-R371 IonicContact OD2-NH2 3.54Å; D143-R371 PolarHBondContact OD2-NH2 3.04Å
144T97.4Very high96.5Very high41 Ų4142.7 Ų42.725%0.25224%0.238SC..EExtended strand (participates in β ladder)trans-141.4161.3-176.6670000108.5A205 S210T144-A205 WeakPolarHBondContact CA-O 3.36Å; T144-A205 WeakPolarHBondContact CB-O 3.35Å; T144-A205 HydrophobicContact CG2-CB 4.14Å; T144-S210 VanDerWaalsContact C-OG 3.27Å; T144-S210 PolarHBondContact O-OG 2.73Å; T144-S210 PolarHBondContact OG1-OG 2.84Å
145L97.8Very high96.5Very high1 Ų141.2 Ų41.21%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-133.6157176.673.586.4000111.6L147 V197 L201 V204 A205 V206 V207 F212 V214L145-L147 HydrophobicContact CD1-CD2 3.66Å; L145-L147 HydrophobicContact CD1-CG 3.85Å; L145-V197 HydrophobicContact CD2-CG1 4.26Å; L145-L201 HydrophobicContact CD2-CD1 3.36Å; L145-V204 HydrophobicContact CD2-CG1 4.1Å; L145-V204 HydrophobicContact CG-CG1 4.44Å; L145-A205 PolarHBondContact N-O 3.26Å; L145-V206 HydrophobicContact CD1-CB 4.39Å; L145-V206 HydrophobicContact CD1-CG1 4.2Å; L145-V206 HydrophobicContact CD1-CG2 3.77Å; L145-V206 HydrophobicContact CG-CG2 4.07Å; L145-V206 CarbonylContact O-C 3.24Å; L145-V206 VanDerWaalsContact O-CA 3.3Å; L145-V206 WeakPolarHBondContact O-CA 3.38Å; L145-V207 PolarHBondContact O-N 2.87Å; L145-F212 CarbonylContact C-O 3.57Å; L145-F212 VanDerWaalsContact CA-O 3.26Å; L145-F212 WeakPolarHBondContact CA-O 3.19Å; L145-F212 HydrophobicContact CB-CD1 3.79Å; L145-F212 HydrophobicContact CB-CE1 4.44Å; L145-V214 HydrophobicContact CB-CG2 4.38Å; L145-V214 HydrophobicContact CD1-CB 4.44Å; L145-V214 HydrophobicContact CD1-CG2 4.29Å; L145-V214 HydrophobicContact CD2-CG2 4.24Å
146V97.7Very high96.4Very high24 Ų2441.5 Ų41.515%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-109.9134.3167.361.20000109.3V207 F212 E213 V214V146-V207 WeakPolarHBondContact CA-O 3.4Å; V146-V207 WeakPolarHBondContact CB-O 3.35Å; V146-V207 WeakPolarHBondContact CG2-O 3.02Å; V146-F212 PolarHBondContact N-O 2.97Å; V146-E213 HydrophobicContact CG1-CB 3.8Å; V146-E213 HydrophobicContact CG1-CG 4.06Å; V146-E213 WeakPolarHBondContact O-CA 3.44Å; V146-V214 PolarHBondContact O-N 2.83Å
147L97.3Very high96.5Very high6 Ų636.4 Ų36.43%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-86.8129.2173.2-69.4178.9000110.3M131 L145 K190 M193 Q194 V197 V206 V214M131-L147 HydrophobicContact CE-CD2 3.63Å; L145-L147 HydrophobicContact CD1-CD2 3.66Å; L145-L147 HydrophobicContact CD1-CG 3.85Å; L147-K190 HydrophobicContact CB-CG 4.46Å; L147-K190 WeakPolarHBondContact O-CE 3.46Å; L147-K190 PolarHBondContact O-NZ 3.07Å; L147-M193 HydrophobicContact CD1-CB 4.06Å; L147-Q194 HydrophobicContact CD1-CB 4.45Å; L147-V197 HydrophobicContact CD1-CG2 4.34Å; L147-V197 HydrophobicContact CD2-CG1 4.35Å; L147-V197 HydrophobicContact CD2-CG2 4.34Å; L147-V206 HydrophobicContact CB-CG1 4.35Å; L147-V206 HydrophobicContact CD1-CG1 3.88Å; L147-V206 HydrophobicContact CD1-CG2 4.46Å; L147-V206 HydrophobicContact CG-CG1 3.72Å; L147-V206 HydrophobicContact CG-CG2 4.48Å; L147-V214 WeakPolarHBondContact CA-O 3.25Å; L147-V214 HydrophobicContact CD2-CB 4.31Å
148S96.1Very high96.5Very high23 Ų2332.9 Ų32.916%0.16118%0.178CC..EExtended strand (participates in β ladder)trans-119155169.871.30000111.4E213 V214 G215 V216S148-E213 WeakPolarHBondContact CB-OE1 3.39Å; S148-E213 PolarHBondContact OG-OE1 2.84Å; S148-V214 PolarHBondContact N-O 3.06Å; S148-G215 WeakPolarHBondContact O-CA 3.23Å; S148-G215 WeakPolarHBondContact OG-CA 3.48Å; S148-V216 PolarHBondContact O-N 2.89Å
149V96.1Very high96.5Very high22 Ų2229.9 Ų29.913%0.13316%0.164CC..EExtended strand (participates in β ladder)trans-144.6125.6177.659.20000109.3L151 K186 F189 V216 F218V149-L151 HydrophobicContact CG2-CD2 3.65Å; V149-L151 HydrophobicContact CG2-CG 4.15Å; V149-K186 HydrophobicContact CG1-CB 3.65Å; V149-F189 HydrophobicContact CB-CD1 3.95Å; V149-F189 HydrophobicContact CB-CE1 4.09Å; V149-F189 HydrophobicContact CG1-CD1 4.02Å; V149-F189 HydrophobicContact CG2-CD1 4.12Å; V149-F189 HydrophobicContact CG2-CE1 4.18Å; V149-V216 CarbonylContact C-O 3.54Å; V149-V216 VanDerWaalsContact CA-O 3.28Å; V149-V216 WeakPolarHBondContact CA-O 3.28Å; V149-V216 HydrophobicContact CB-CG1 4.36Å; V149-V216 HydrophobicContact CG2-CG1 4.1Å; V149-F218 HydrophobicContact CG2-CD2 3.75Å; V149-F218 HydrophobicContact CG2-CE2 3.69Å
150S95.8Very high96.5Very high62 Ų6225.2 Ų25.243%0.43414%0.139SC..EExtended strand (participates in β ladder)trans-99.3125.5173.3-71.10000108.7V216 F218S150-V216 PolarHBondContact N-O 3.41Å; S150-F218 PolarHBondContact O-N 2.79Å
151L96.1Very high96.5Very high23 Ų2324.4 Ų24.412%0.1214%0.136CC..  trans-116.2145.7-171.9-61.9174.5000110.5I118 V149 A153 L155 V185 K186 F218I118-L151 HydrophobicContact CD1-CD2 3.47Å; I118-L151 VanDerWaalsContact CD1-CD2 3.47Å; I118-L151 HydrophobicContact CG2-CD2 4.18Å; V149-L151 HydrophobicContact CG2-CD2 3.65Å; V149-L151 HydrophobicContact CG2-CG 4.15Å; L151-A153 PolarHBondContact O-N 3.27Å; L151-L155 HydrophobicContact CB-CD1 4.21Å; L151-L155 HydrophobicContact CD2-CD1 4.45Å; L151-V185 HydrophobicContact CD1-CB 3.71Å; L151-V185 HydrophobicContact CD1-CG1 3.99Å; L151-V185 HydrophobicContact CD1-CG2 4.42Å; L151-V185 HydrophobicContact CD2-CG1 4.2Å; L151-K186 HydrophobicContact CD1-CB 3.94Å; L151-F218 HydrophobicContact CD2-CD2 4.18Å
152P95.9Very high96.4Very high10 Ų1021 Ų217%0.06512%0.12CC..  trans-56.7134.9174.6-16.925.1000111.2Q154 L155 F218 H220P152-Q154 HydrophobicContact CB-CG 4.07Å; P152-Q154 PolarHBondContact O-N 2.9Å; P152-L155 HydrophobicContact CB-CG 4.26Å; P152-L155 HydrophobicContact CG-CD1 4.48Å; P152-L155 HydrophobicContact CG-CG 4.34Å; P152-L155 WeakPolarHBondContact O-CB 3.29Å; P152-L155 WeakPolarHBondContact O-CG 3.29Å; P152-L155 PolarHBondContact O-N 2.95Å; P152-L155 VanDerWaalsContact O-N 3.13Å; P152-F218 VanDerWaalsContact CD-O 3.24Å; P152-F218 WeakPolarHBondContact CD-O 3.42Å; P152-F218 HydrophobicContact CG-CB 4.45Å; P152-F218 WeakPolarHBondContact CG-O 3.4Å; P152-H220 HydrophobicContact CG-CB 4.31Å
153A95.4Very high96.4Very high10 Ų1019.4 Ų19.48%0.08311%0.113CC..THydrogen-bonded Turntrans-62.8-32.4-175.400000112.5L151 L155 C156 F248 R250 V253L151-A153 PolarHBondContact O-N 3.27Å; A153-L155 PolarHBondContact O-N 3.11Å; A153-C156 WeakPolarHBondContact O-CB 3.31Å; A153-C156 PolarHBondContact O-N 3.11Å; A153-C156 VanDerWaalsContact O-N 3.07Å; A153-F248 WeakPolarHBondContact CB-O 3.48Å; A153-R250 HydrophobicContact CB-CB 4.36Å; A153-V253 HydrophobicContact CB-CG2 3.98Å
154Q95.3Very high96.4Very high16 Ų1615.7 Ų15.78%0.0759%0.093CC..THydrogen-bonded Turntrans-61-20.6176.560.5-90.242.200114.5P152 C156 V157 R158 H220 T223 D226 C227P152-Q154 HydrophobicContact CB-CG 4.07Å; P152-Q154 PolarHBondContact O-N 2.9Å; Q154-C156 PolarHBondContact O-N 3.33Å; Q154-V157 WeakPolarHBondContact O-CB 3.36Å; Q154-V157 PolarHBondContact O-N 2.72Å; Q154-R158 PolarHBondContact O-N 3.33Å; Q154-R158 VanDerWaalsContact O-N 3.16Å; Q154-H220 PolarHBondContact NE2-O 3.22Å; Q154-T223 WeakPolarHBondContact CB-O 3.3Å; Q154-T223 WeakPolarHBondContact CG-O 3.34Å; Q154-T223 WeakPolarHBondContact CG-OG1 3.49Å; Q154-D226 HydrophobicContact CB-CB 3.81Å; Q154-C227 WeakPolarHBondContact CA-SG 3.36Å
155L96.9Very high96.2Very high4 Ų415.9 Ų15.92%0.0219%0.09CC..Hα-helixtrans-60.1-31173.2-62.3-168.9000111.6V114 L116 I118 L151 P152 A153 V157 R158 E159 V185V114-L155 WeakPolarHBondContact O-CD2 3.39Å; L116-L155 HydrophobicContact CB-CD2 4.18Å; L116-L155 HydrophobicContact CD1-CD2 3.46Å; L116-L155 VanDerWaalsContact CD1-CD2 3.46Å; L116-L155 HydrophobicContact CG-CD2 3.57Å; I118-L155 HydrophobicContact CD1-CD1 3.59Å; L151-L155 HydrophobicContact CB-CD1 4.21Å; L151-L155 HydrophobicContact CD2-CD1 4.45Å; P152-L155 HydrophobicContact CB-CG 4.26Å; P152-L155 HydrophobicContact CG-CD1 4.48Å; P152-L155 HydrophobicContact CG-CG 4.34Å; P152-L155 WeakPolarHBondContact O-CB 3.29Å; P152-L155 WeakPolarHBondContact O-CG 3.29Å; P152-L155 PolarHBondContact O-N 2.95Å; P152-L155 VanDerWaalsContact O-N 3.13Å; A153-L155 PolarHBondContact O-N 3.11Å; L155-V157 VanDerWaalsContact C-N 3.29Å; L155-V157 PolarHBondContact O-N 3.12Å; L155-R158 PolarHBondContact O-N 2.9Å; L155-E159 WeakPolarHBondContact O-CB 3.26Å; L155-E159 PolarHBondContact O-N 3.02Å; L155-V185 HydrophobicContact CD1-CG2 4.49Å
156C96.6Very high96Very high9 Ų915.9 Ų15.96%0.0619%0.091CC..Hα-helixtrans-64.5-34.7175.4-68.70000112.3A153 Q154 H160 V253 V254 L257A153-C156 WeakPolarHBondContact O-CB 3.31Å; A153-C156 PolarHBondContact O-N 3.11Å; A153-C156 VanDerWaalsContact O-N 3.07Å; Q154-C156 PolarHBondContact O-N 3.33Å; C156-H160 WeakPolarHBondContact O-CB 3.19Å; C156-H160 PolarHBondContact O-N 3.28Å; C156-V253 HydrophobicContact CB-CG1 3.85Å; C156-V254 HydrophobicContact CB-CG2 4.34Å; C156-L257 HydrophobicContact CB-CD1 3.79Å; C156-L257 VanDerWaalsContact O-CD1 3.3Å; C156-L257 WeakPolarHBondContact O-CD1 3.32Å
157V97.2Very high95.5Very high0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-68.8-47.5176.8-178.20000110.1Q154 L155 E159 H160 S161 F229 L230 V253 F265 Y269Q154-V157 WeakPolarHBondContact O-CB 3.36Å; Q154-V157 PolarHBondContact O-N 2.72Å; L155-V157 VanDerWaalsContact C-N 3.29Å; L155-V157 PolarHBondContact O-N 3.12Å; V157-E159 PolarHBondContact O-N 3.36Å; V157-H160 PolarHBondContact O-N 2.91Å; V157-S161 PolarHBondContact O-N 3.14Å; V157-F229 HydrophobicContact CG1-CE1 3.81Å; V157-F229 HydrophobicContact CG1-CZ 4.18Å; V157-L230 HydrophobicContact CG2-CD1 3.88Å; V157-V253 HydrophobicContact CG2-CG1 3.89Å; V157-F265 HydrophobicContact CG1-CE2 3.96Å; V157-F265 HydrophobicContact CG1-CZ 4.03Å; V157-Y269 HydrophobicContact CG1-CD1 4.03Å; V157-Y269 HydrophobicContact CG1-CD2 3.63Å; V157-Y269 HydrophobicContact CG1-CE1 3.98Å; V157-Y269 HydrophobicContact CG1-CE2 3.59Å; V157-Y269 HydrophobicContact CG1-CG 3.86Å
158R97.3Very high94.8Very high8 Ų822.5 Ų22.53%0.0312%0.117CC..Hα-helixtrans-61.3-44.2177.9-71.9175.2169.8-86.8-11.7112.3V113 Q154 L155 S161 C162 D226 Y269 P273 S274V113-R158 WeakPolarHBondContact O-CD 3.37Å; V113-R158 PolarHBondContact O-NH1 3.36Å; Q154-R158 PolarHBondContact O-N 3.33Å; Q154-R158 VanDerWaalsContact O-N 3.16Å; L155-R158 PolarHBondContact O-N 2.9Å; R158-S161 PolarHBondContact O-N 3.07Å; R158-C162 VanDerWaalsContact O-CB 3.32Å; R158-C162 WeakPolarHBondContact O-CB 3.36Å; R158-C162 PolarHBondContact O-N 2.98Å; R158-D226 IonicContact CZ-OD2 3.78Å; R158-D226 VanDerWaalsContact CZ-OD2 3.29Å; R158-D226 IonicContact NE-OD2 3.98Å; R158-D226 PolarHBondContact NE-OD2 3.01Å; R158-D226 IonicContact NH2-OD1 2.93Å; R158-D226 IonicContact NH2-OD2 3.88Å; R158-D226 PolarHBondContact NH2-OD2 3.22Å; R158-Y269 WeakPolarHBondContact CG-OH 3.4Å; R158-P273 HydrophobicContact CB-CB 4.4Å; R158-P273 HydrophobicContact CB-CG 4.24Å; R158-P273 HydrophobicContact CG-CB 4.2Å; R158-P273 VanDerWaalsContact O-CG 3.28Å; R158-P273 WeakPolarHBondContact O-CG 3.09Å; R158-S274 PolarHBondContact NH1-O 2.75Å
159E96.8Very high94.1Very high27 Ų2722.9 Ų22.913%0.12612%0.116CC..Hα-helixtrans-62.4-41.7175.6-172.7168110.800111.8R27 F28 V114 L155 V157 C162 W163R27-E159 IonicContact CZ-OE2 3.93Å; R27-E159 IonicContact NH2-OE1 2.7Å; R27-E159 IonicContact NH2-OE2 3.3Å; R27-E159 PolarHBondContact NH2-OE2 3.37Å; F28-E159 HydrophobicContact CZ-CG 4.09Å; V114-E159 HydrophobicContact CG1-CB 4.3Å; L155-E159 WeakPolarHBondContact O-CB 3.26Å; L155-E159 PolarHBondContact O-N 3.02Å; V157-E159 PolarHBondContact O-N 3.36Å; E159-C162 PolarHBondContact O-N 2.93Å; E159-W163 WeakPolarHBondContact O-CB 3.48Å; E159-W163 PolarHBondContact O-N 3.34Å
160H96.2Very high93.3Very high9 Ų922.1 Ų22.14%0.04211%0.112CC..Hα-helixtrans-65.8-44.3176-172.679.1000112.5C156 V157 C162 W163 L164 L257 F265C156-H160 WeakPolarHBondContact O-CB 3.19Å; C156-H160 PolarHBondContact O-N 3.28Å; V157-H160 PolarHBondContact O-N 2.91Å; H160-C162 VanDerWaalsContact C-N 3.33Å; H160-C162 PolarHBondContact O-N 2.92Å; H160-W163 WeakPolarHBondContact O-CB 3.36Å; H160-W163 PolarHBondContact O-N 2.84Å; H160-L164 WeakPolarHBondContact O-CG 3.45Å; H160-L164 PolarHBondContact O-N 3.48Å; H160-L257 HydrophobicContact CB-CD1 4.21Å; H160-L257 HydrophobicContact CB-CD2 4.1Å; H160-F265 HydrophobicContact CB-CE2 4.43Å; H160-F265 HydrophobicContact CB-CZ 4.44Å; H160-F265 AromaticContact CD2-CD1 4Å; H160-F265 AromaticContact CD2-CD2 3.54Å; H160-F265 AromaticContact CD2-CE1 3.97Å; H160-F265 AromaticContact CD2-CE2 3.5Å; H160-F265 VanDerWaalsContact CD2-CE2 3.5Å; H160-F265 WeakPolarHBondContact CD2-CE2 3.37Å; H160-F265 AromaticContact CD2-CG 3.8Å; H160-F265 AromaticContact CD2-CZ 3.73Å
161S96.8Very high92.4Very high0 Ų027.4 Ų27.40%012%0.122CC..Hα-helixtrans-58.5-46.1173.91660000111.6V157 R158 W163 L164 H165 P270 C271 P273V157-S161 PolarHBondContact O-N 3.14Å; R158-S161 PolarHBondContact O-N 3.07Å; S161-W163 VanDerWaalsContact C-N 3.34Å; S161-W163 PolarHBondContact O-N 2.91Å; S161-L164 PolarHBondContact O-N 3.42Å; S161-H165 PolarHBondContact O-N 3.26Å; S161-P270 PolarHBondContact OG-O 3.19Å; S161-C271 PolarHBondContact O-SG 2.86Å; S161-C271 WeakPolarHBondContact OG-CA 3.45Å; S161-P273 VanDerWaalsContact OG-CD 3.31Å; S161-P273 WeakPolarHBondContact OG-CD 3.49Å
162C95.4Very high91.3Very high0 Ų032.1 Ų32.10%014%0.143CC..Hα-helixtrans-64.4-37.8177.7-164.50000112.5L15 C20 F28 V114 R158 E159 H160 H165 V166 P273L15-C162 WeakPolarHBondContact CD2-SG 3.12Å; C20-C162 VanDerWaalsContact SG-SG 3.66Å; F28-C162 HydrophobicContact CE1-CB 4.27Å; F28-C162 HydrophobicContact CE2-CB 4.44Å; F28-C162 HydrophobicContact CZ-CB 3.77Å; V114-C162 HydrophobicContact CG2-CB 3.67Å; V114-C162 VanDerWaalsContact CG2-SG 3.54Å; R158-C162 VanDerWaalsContact O-CB 3.32Å; R158-C162 WeakPolarHBondContact O-CB 3.36Å; R158-C162 PolarHBondContact O-N 2.98Å; E159-C162 PolarHBondContact O-N 2.93Å; H160-C162 VanDerWaalsContact C-N 3.33Å; H160-C162 PolarHBondContact O-N 2.92Å; C162-H165 WeakPolarHBondContact O-CB 3.29Å; C162-H165 PolarHBondContact O-N 2.86Å; C162-V166 PolarHBondContact O-N 3.39Å; C162-P273 HydrophobicContact CB-CG 4.32Å
163W95.3Very high90.2Very high16 Ų1637.7 Ų37.76%0.06117%0.167CC..Hα-helixtrans-58.3-49.2170.6169-114.3000111.8F28 E159 H160 S161 H165 V166 K167 V170 L177 D178 K179 V182F28-W163 HydrophobicContact CE1-CB 4.16Å; E159-W163 WeakPolarHBondContact O-CB 3.48Å; E159-W163 PolarHBondContact O-N 3.34Å; H160-W163 WeakPolarHBondContact O-CB 3.36Å; H160-W163 PolarHBondContact O-N 2.84Å; S161-W163 VanDerWaalsContact C-N 3.34Å; S161-W163 PolarHBondContact O-N 2.91Å; W163-H165 PolarHBondContact O-N 2.85Å; W163-V166 HydrophobicContact CE3-CG2 4.19Å; W163-V166 WeakPolarHBondContact O-CG2 3.37Å; W163-V166 PolarHBondContact O-N 2.84Å; W163-K167 WeakPolarHBondContact O-CB 3.29Å; W163-K167 PolarHBondContact O-N 3.29Å; W163-V170 HydrophobicContact CH2-CG1 4.48Å; W163-V170 HydrophobicContact CZ3-CG2 4.4Å; W163-L177 WeakPolarHBondContact CH2-O 3.37Å; W163-D178 VanDerWaalsContact CH2-C 3.5Å; W163-K179 HydrophobicContact CD2-CB 4.19Å; W163-K179 HydrophobicContact CG-CB 4.3Å; W163-K179 HydrophobicContact CG-CG 4.24Å; W163-K179 HydrophobicContact CZ2-CB 4.29Å; W163-K179 VanDerWaalsContact CZ2-N 3.32Å; W163-V182 HydrophobicContact CE3-CG2 4.16Å; W163-V182 HydrophobicContact CZ3-CG2 4.38Å
164L94.4Very high88.7Confident19 Ų1940.1 Ų40.110%0.09919%0.193CC..Hα-helixtrans-59.8-35.9177-66-178.4000112.1H160 S161 V166 K167 D262 F265 L266H160-L164 WeakPolarHBondContact O-CG 3.45Å; H160-L164 PolarHBondContact O-N 3.48Å; S161-L164 PolarHBondContact O-N 3.42Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 2.94Å; L164-K167 HydrophobicContact CD2-CD 3.89Å; L164-K167 WeakPolarHBondContact O-CB 3.32Å; L164-K167 PolarHBondContact O-N 3.22Å; L164-D262 HydrophobicContact CD2-CB 4.17Å; L164-D262 WeakPolarHBondContact CD2-OD1 3.16Å; L164-F265 HydrophobicContact CD1-CB 4.47Å; L164-F265 HydrophobicContact CD1-CD1 3.49Å; L164-F265 VanDerWaalsContact CD1-CD1 3.49Å; L164-F265 HydrophobicContact CD1-CE1 4.01Å; L164-F265 HydrophobicContact CD1-CG 4.16Å; L164-L266 HydrophobicContact CD1-CD2 3.97Å; L164-L266 HydrophobicContact CD1-CG 4.07Å
165H94.1Very high87.6Confident44 Ų4440.2 Ų40.220%0.20419%0.194CC..Hα-helixtrans-61.3-39.7178-172.867.8000112.8S161 C162 W163 C271 P272S161-H165 PolarHBondContact O-N 3.26Å; C162-H165 WeakPolarHBondContact O-CB 3.29Å; C162-H165 PolarHBondContact O-N 2.86Å; W163-H165 PolarHBondContact O-N 2.85Å; H165-C271 PolarHBondContact N-SG 2.95Å; H165-P272 HydrophobicContact CB-CB 4.44Å
166V92.6Very high86.1Confident2 Ų246.9 Ų46.91%0.01223%0.234CC..Hα-helixtrans-93.2-16.6179.8-59.70000113.9I11 K14 L15 F28 C162 W163 L164 K168 E169 V170I11-V166 HydrophobicContact CG2-CB 4.48Å; I11-V166 HydrophobicContact CG2-CG1 4.32Å; K14-V166 HydrophobicContact CB-CG1 4.42Å; L15-V166 HydrophobicContact CD1-CG1 4.39Å; L15-V166 HydrophobicContact CD2-CG1 3.5Å; L15-V166 HydrophobicContact CG-CG1 3.73Å; F28-V166 HydrophobicContact CD1-CG2 4.23Å; C162-V166 PolarHBondContact O-N 3.39Å; W163-V166 HydrophobicContact CE3-CG2 4.19Å; W163-V166 WeakPolarHBondContact O-CG2 3.37Å; W163-V166 PolarHBondContact O-N 2.84Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 2.94Å; V166-K168 PolarHBondContact O-N 3.29Å; V166-E169 WeakPolarHBondContact O-CB 3.48Å; V166-E169 PolarHBondContact O-N 2.87Å; V166-V170 PolarHBondContact O-N 2.78Å; V166-V170 VanDerWaalsContact O-N 3.14Å
167K89.1Confident85.1Confident38 Ų3848.1 Ų48.117%0.16524%0.24CC..Hα-helixtrans-51.3-35.3-177.3-171.4173.7-173.4177.20113.7W163 L164 R171 D262W163-K167 WeakPolarHBondContact O-CB 3.29Å; W163-K167 PolarHBondContact O-N 3.29Å; L164-K167 HydrophobicContact CD2-CD 3.89Å; L164-K167 WeakPolarHBondContact O-CB 3.32Å; L164-K167 PolarHBondContact O-N 3.22Å; K167-R171 VanDerWaalsContact CE-NH2 3.31Å; K167-R171 WeakPolarHBondContact O-CG 3.27Å; K167-R171 PolarHBondContact O-N 2.65Å; K167-D262 IonicContact NZ-OD1 3.49Å; K167-D262 PolarHBondContact NZ-OD1 3.23Å; K167-D262 IonicContact NZ-OD2 2.64Å; K167-D262 PolarHBondContact NZ-OD2 2.76Å
168K80.9Confident84.2Confident131 Ų13152.8 Ų52.857%0.5727%0.265SS*.Hα-helixtrans-66.5-42176.9-173.2177.9175.6-177.40112.3V166 R171 Q172V166-K168 PolarHBondContact O-N 3.29Å; K168-R171 PolarHBondContact O-N 3Å; K168-Q172 HydrophobicContact CG-CG 4.37Å; K168-Q172 WeakPolarHBondContact O-CB 3.41Å; K168-Q172 VanDerWaalsContact O-CG 3.28Å; K168-Q172 WeakPolarHBondContact O-CG 3.44Å; K168-Q172 PolarHBondContact O-N 2.9Å
169E81.6Confident83.3Confident30 Ų3054.7 Ų54.714%0.1427%0.274CS..Hα-helixtrans-67.2-40.7177.6-61.8-52.8137.400111.2P10 K14 V166 R171 Q172 K173P10-E169 HydrophobicContact CB-CB 4.37Å; P10-E169 HydrophobicContact CB-CG 4.29Å; K14-E169 HydrophobicContact CD-CG 3.64Å; K14-E169 VanDerWaalsContact CE-CG 3.45Å; K14-E169 WeakPolarHBondContact CE-OE1 3.47Å; K14-E169 IonicContact NZ-OE1 2.67Å; K14-E169 PolarHBondContact NZ-OE1 2.87Å; V166-E169 WeakPolarHBondContact O-CB 3.48Å; V166-E169 PolarHBondContact O-N 2.87Å; E169-R171 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 3.37Å; E169-Q172 PolarHBondContact O-N 3.18Å; E169-K173 WeakPolarHBondContact O-CB 3.48Å; E169-K173 WeakPolarHBondContact O-CG 3.45Å; E169-K173 PolarHBondContact O-N 2.92Å
170V79Confident82.7Confident6 Ų660 Ų604%0.03630%0.303CS..Hα-helixtrans-55.7-50.6174.2175.60000110.3I11 W163 V166 G174 L175 L177I11-V170 HydrophobicContact CD1-CG2 3.91Å; W163-V170 HydrophobicContact CH2-CG1 4.48Å; W163-V170 HydrophobicContact CZ3-CG2 4.4Å; V166-V170 PolarHBondContact O-N 2.78Å; V166-V170 VanDerWaalsContact O-N 3.14Å; V170-G174 PolarHBondContact O-N 3Å; V170-L175 HydrophobicContact CB-CB 4.44Å; V170-L175 HydrophobicContact CG1-CB 3.75Å; V170-L175 WeakPolarHBondContact O-CB 3.39Å; V170-L175 PolarHBondContact O-N 3.48Å; V170-L177 HydrophobicContact CG1-CB 3.84Å
171R78.4Confident82.3Confident174 Ų17463.4 Ų63.466%0.65732%0.322SS*.Hα-helixtrans-64.8-45.5178.4-73.3176.4172.9-176.9-4.6113.1K167 K168 E169 K173 G174K167-R171 VanDerWaalsContact CE-NH2 3.31Å; K167-R171 WeakPolarHBondContact O-CG 3.27Å; K167-R171 PolarHBondContact O-N 2.65Å; K168-R171 PolarHBondContact O-N 3Å; E169-R171 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 3.37Å; R171-K173 VanDerWaalsContact C-N 3.26Å; R171-K173 PolarHBondContact O-N 2.93Å; R171-G174 PolarHBondContact O-N 2.89Å
172Q72.6Confident82.1Confident121 Ų12163.9 Ų63.957%0.56532%0.324SS*.Hα-helixtrans-66.5-26.9-177.2-76.4-178.6-19.600113.4K168 E169K168-Q172 HydrophobicContact CG-CG 4.37Å; K168-Q172 WeakPolarHBondContact O-CB 3.41Å; K168-Q172 VanDerWaalsContact O-CG 3.28Å; K168-Q172 WeakPolarHBondContact O-CG 3.44Å; K168-Q172 PolarHBondContact O-N 2.9Å; E169-Q172 PolarHBondContact O-N 3.18Å
173K71.8Confident82.2Confident127 Ų12764.8 Ų64.855%0.55233%0.329SS*.THydrogen-bonded Turntrans-94.27.8177.7-65-64.5-175.7-179.10113.9E169 R171 L175E169-K173 WeakPolarHBondContact O-CB 3.48Å; E169-K173 WeakPolarHBondContact O-CG 3.45Å; E169-K173 PolarHBondContact O-N 2.92Å; R171-K173 VanDerWaalsContact C-N 3.26Å; R171-K173 PolarHBondContact O-N 2.93Å; K173-L175 HydrophobicContact CB-CD1 4.07Å; K173-L175 HydrophobicContact CB-CG 4.18Å; K173-L175 PolarHBondContact O-N 3.2Å
174G64.1Low82.2Confident62 Ų6267.5 Ų67.564%0.63934%0.342SS*.THydrogen-bonded Turntrans61.826.8-17900000113V170 R171 V176V170-G174 PolarHBondContact O-N 3Å; R171-G174 PolarHBondContact O-N 2.89Å; G174-V176 PolarHBondContact O-N 3.23Å
175L72.1Confident82.3Confident17 Ų1766.7 Ų66.79%0.08934%0.338CS..  trans-74.2123177.2-74.6161.5000109.2K7 I11 V170 K173 L177K7-L175 HydrophobicContact CB-CD2 4.08Å; K7-L175 HydrophobicContact CD-CD2 3.34Å; K7-L175 HydrophobicContact CG-CD2 3.74Å; I11-L175 HydrophobicContact CD1-CD1 3.83Å; V170-L175 HydrophobicContact CB-CB 4.44Å; V170-L175 HydrophobicContact CG1-CB 3.75Å; V170-L175 WeakPolarHBondContact O-CB 3.39Å; V170-L175 PolarHBondContact O-N 3.48Å; K173-L175 HydrophobicContact CB-CD1 4.07Å; K173-L175 HydrophobicContact CB-CG 4.18Å; K173-L175 PolarHBondContact O-N 3.2Å; L175-L177 HydrophobicContact CB-CD1 4.2Å; L175-L177 HydrophobicContact CB-CG 4.3Å; L175-L177 HydrophobicContact CD1-CD1 4.34Å; L175-L177 HydrophobicContact CD2-CD1 4.25Å; L175-L177 PolarHBondContact O-N 3.14Å; L175-L177 VanDerWaalsContact O-N 3.09Å
176V67.1Low82.4Confident144 Ų14467.8 Ų67.887%0.87334%0.343SS*.  trans-82.178.8166.6-171.40000107.2G174G174-V176 PolarHBondContact O-N 3.23Å
177L74.8Confident82.5Confident35 Ų3570.9 Ų70.918%0.18336%0.357CS..  trans-127.2129.8172.3-69.1170.7000107.7I11 C30 W163 V170 L175 D181I11-L177 HydrophobicContact CD1-CD1 4.42Å; C30-L177 HydrophobicContact CB-CD2 4.3Å; W163-L177 WeakPolarHBondContact CH2-O 3.37Å; V170-L177 HydrophobicContact CG1-CB 3.84Å; L175-L177 HydrophobicContact CB-CD1 4.2Å; L175-L177 HydrophobicContact CB-CG 4.3Å; L175-L177 HydrophobicContact CD1-CD1 4.34Å; L175-L177 HydrophobicContact CD2-CD1 4.25Å; L175-L177 PolarHBondContact O-N 3.14Å; L175-L177 VanDerWaalsContact O-N 3.09Å; L177-D181 WeakPolarHBondContact CA-OD2 3.37Å; L177-D181 HydrophobicContact CD2-CB 4.36Å
178D77.3Confident82.9Confident98 Ų9869.1 Ų69.152%0.52435%0.349SS..  trans-106.8165.8170-150-24.4000110.6W163 D180 D181W163-D178 VanDerWaalsContact CH2-C 3.5Å; D178-D180 PolarHBondContact O-N 2.91Å; D178-D181 PolarHBondContact N-OD2 3.24Å; D178-D181 WeakPolarHBondContact O-CB 3.4Å; D178-D181 PolarHBondContact O-N 2.83Å; D178-D181 VanDerWaalsContact O-N 3.08Å
179K80Confident83.7Confident48 Ų4863 Ų6321%0.20932%0.322CS..G310 helixtrans-53.2-36.1174.4-177.9-171.5167.9-163.60111.5W163 D181 V182W163-K179 HydrophobicContact CD2-CB 4.19Å; W163-K179 HydrophobicContact CG-CB 4.3Å; W163-K179 HydrophobicContact CG-CG 4.24Å; W163-K179 HydrophobicContact CZ2-CB 4.29Å; W163-K179 VanDerWaalsContact CZ2-N 3.32Å; K179-D181 VanDerWaalsContact C-N 3.26Å; K179-D181 PolarHBondContact O-N 3.28Å; K179-V182 WeakPolarHBondContact O-CB 3.29Å; K179-V182 PolarHBondContact O-N 2.84Å
180D83.9Confident84.4Confident139 Ų13964.2 Ų64.274%0.74333%0.327SS*.G310 helixtrans-75-15.4-176.5-65.5-25.2000113.2D178 V182D178-D180 PolarHBondContact O-N 2.91Å; D180-V182 VanDerWaalsContact C-N 3.3Å
181D87.8Confident85.1Confident81 Ų8165.7 Ų65.743%0.43333%0.332SS..G310 helixtrans-76.8-20.5173.3-62.3-45.9000112.1C30 L177 D178 K179 I183C30-D181 PolarHBondContact SG-O 3.26Å; C30-D181 VanDerWaalsContact SG-O 3.37Å; L177-D181 WeakPolarHBondContact CA-OD2 3.37Å; L177-D181 HydrophobicContact CD2-CB 4.36Å; D178-D181 PolarHBondContact N-OD2 3.24Å; D178-D181 WeakPolarHBondContact O-CB 3.4Å; D178-D181 PolarHBondContact O-N 2.83Å; D178-D181 VanDerWaalsContact O-N 3.08Å; K179-D181 VanDerWaalsContact C-N 3.26Å; K179-D181 PolarHBondContact O-N 3.28Å; D181-I183 PolarHBondContact O-N 2.66Å
182V92.7Very high85.9Confident9 Ų957.7 Ų57.76%0.05530%0.303CS..SBendtrans-64.6120.6177.7-179.60000109R27 F28 W163 K179 D180 Q184R27-V182 HydrophobicContact CB-CG1 4.39Å; F28-V182 HydrophobicContact CD1-CG1 4.16Å; F28-V182 HydrophobicContact CD1-CG2 3.98Å; F28-V182 HydrophobicContact CD2-CG1 4.37Å; F28-V182 HydrophobicContact CE1-CG1 4.25Å; F28-V182 HydrophobicContact CE1-CG2 4.29Å; F28-V182 HydrophobicContact CE2-CG1 4.45Å; F28-V182 HydrophobicContact CG-CG1 4.22Å; F28-V182 HydrophobicContact CZ-CG1 4.39Å; W163-V182 HydrophobicContact CE3-CG2 4.16Å; W163-V182 HydrophobicContact CZ3-CG2 4.38Å; K179-V182 WeakPolarHBondContact O-CB 3.29Å; K179-V182 PolarHBondContact O-N 2.84Å; D180-V182 VanDerWaalsContact C-N 3.3Å; V182-Q184 PolarHBondContact O-N 2.7Å
183I96.1Very high87.1Confident20 Ų2052 Ų5210%0.10328%0.276CS..PPolyproline II helixtrans-58.7132.1178-67.9158.3000108.6R27 V31 Y37 D181 E187 A188 W191R27-I183 HydrophobicContact CB-CB 4.09Å; R27-I183 HydrophobicContact CG-CB 4.01Å; R27-I183 HydrophobicContact CG-CG2 4.12Å; R27-I183 PolarHBondContact NE-O 3.31Å; R27-I183 PolarHBondContact NH2-O 2.69Å; R27-I183 PolarHBondContact O-N 2.97Å; V31-I183 WeakPolarHBondContact O-CD1 3.44Å; Y37-I183 VanDerWaalsContact OH-CD1 3.3Å; Y37-I183 WeakPolarHBondContact OH-CD1 3.23Å; D181-I183 PolarHBondContact O-N 2.66Å; I183-E187 HydrophobicContact CG2-CB 4.27Å; I183-A188 HydrophobicContact CG2-CB 4.26Å; I183-W191 HydrophobicContact CD1-CH2 3.84Å; I183-W191 HydrophobicContact CD1-CZ3 3.89Å; I183-W191 HydrophobicContact CG1-CH2 4.05Å; I183-W191 HydrophobicContact CG1-CZ3 4.44Å; I183-W191 HydrophobicContact CG2-CH2 3.69Å; I183-W191 HydrophobicContact CG2-CZ2 4.45Å; I183-W191 HydrophobicContact CG2-CZ3 3.76Å
184Q95.3Very high88.2Confident72 Ų7249 Ų4934%0.33626%0.264SS..PPolyproline II helixtrans-73.1148.4-177.5-61.1-178.214.500111.4V182 K186 E187 A188V182-Q184 PolarHBondContact O-N 2.7Å; Q184-K186 HydrophobicContact CB-CG 4.08Å; Q184-K186 PolarHBondContact O-N 3.28Å; Q184-K186 VanDerWaalsContact O-N 3.16Å; Q184-E187 HydrophobicContact CB-CG 4.28Å; Q184-E187 PolarHBondContact O-N 2.96Å; Q184-A188 PolarHBondContact O-N 3.44Å; Q184-A188 VanDerWaalsContact O-N 3.17Å
185V96.9Very high89.5Confident3 Ų347.4 Ų47.42%0.01825%0.248CC..Hα-helixtrans-49.1-45.9175.9-174.70000110.6R27 C115 I118 L119 L151 L155 E187 A188 F189R27-V185 VanDerWaalsContact CZ-CA 3.5Å; R27-V185 VanDerWaalsContact NH2-N 3.15Å; C115-V185 HydrophobicContact CB-CG1 4.45Å; I118-V185 HydrophobicContact CB-CG1 4.34Å; I118-V185 HydrophobicContact CG2-CG1 3.82Å; L119-V185 HydrophobicContact CD1-CG1 4.37Å; L119-V185 HydrophobicContact CD2-CG1 4.42Å; L119-V185 HydrophobicContact CG-CG1 4.18Å; L151-V185 HydrophobicContact CD1-CB 3.71Å; L151-V185 HydrophobicContact CD1-CG1 3.99Å; L151-V185 HydrophobicContact CD1-CG2 4.42Å; L151-V185 HydrophobicContact CD2-CG1 4.2Å; L155-V185 HydrophobicContact CD1-CG2 4.49Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 3.33Å; V185-A188 PolarHBondContact O-N 2.97Å; V185-F189 VanDerWaalsContact O-CB 3.32Å; V185-F189 WeakPolarHBondContact O-CB 3.08Å; V185-F189 PolarHBondContact O-N 3.2Å
186K95.8Very high90.6Very high67 Ų6748.1 Ų48.129%0.29125%0.251SS..Hα-helixtrans-61.7-37.1-176.577-174-164.1-160.50112.7V149 L151 Q184 K190V149-K186 HydrophobicContact CG1-CB 3.65Å; L151-K186 HydrophobicContact CD1-CB 3.94Å; Q184-K186 HydrophobicContact CB-CG 4.08Å; Q184-K186 PolarHBondContact O-N 3.28Å; Q184-K186 VanDerWaalsContact O-N 3.16Å; K186-K190 VanDerWaalsContact O-CG 3.26Å; K186-K190 WeakPolarHBondContact O-CG 3.46Å; K186-K190 PolarHBondContact O-N 3.23Å; K186-K190 VanDerWaalsContact O-N 3.08Å
187E95.6Very high92.1Very high67 Ų6741.3 Ų41.331%0.31321%0.21SC..Hα-helixtrans-74.2-48.3-178.2-66.8-56.4133.100109.8I183 Q184 V185 F189 K190 W191I183-E187 HydrophobicContact CG2-CB 4.27Å; Q184-E187 HydrophobicContact CB-CG 4.28Å; Q184-E187 PolarHBondContact O-N 2.96Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 3.33Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 3.3Å; E187-K190 PolarHBondContact O-N 2.74Å; E187-K190 VanDerWaalsContact O-N 3.13Å; E187-W191 HydrophobicContact CB-CZ2 4.37Å; E187-W191 VanDerWaalsContact O-CG 3.23Å; E187-W191 PolarHBondContact O-N 3.49Å
188A96.9Very high93.1Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-58.1-42174.900000111.7R27 Y37 L119 I183 Q184 V185 W191 I192R27-A188 HydrophobicContact CG-CB 4.2Å; Y37-A188 HydrophobicContact CD1-CB 4Å; Y37-A188 HydrophobicContact CE1-CB 4Å; L119-A188 HydrophobicContact CD1-CB 3.94Å; L119-A188 HydrophobicContact CD2-CB 4.03Å; I183-A188 HydrophobicContact CG2-CB 4.26Å; Q184-A188 PolarHBondContact O-N 3.44Å; Q184-A188 VanDerWaalsContact O-N 3.17Å; V185-A188 PolarHBondContact O-N 2.97Å; A188-W191 PolarHBondContact O-N 3.34Å; A188-I192 WeakPolarHBondContact O-CD1 3.39Å; A188-I192 VanDerWaalsContact O-CG1 3.23Å; A188-I192 WeakPolarHBondContact O-CG1 3.29Å; A188-I192 PolarHBondContact O-N 2.91Å
189F97.2Very high93.9Very high2 Ų245.4 Ų45.41%0.00922%0.22CC..Hα-helixtrans-57.9-49.9174.4-179.7-91.2000111.3I118 L119 C123 V149 V185 E187 W191 I192 M193 V216 F218I118-F189 HydrophobicContact CG2-CD2 3.9Å; L119-F189 HydrophobicContact CD2-CB 4.03Å; C123-F189 HydrophobicContact CB-CD2 3.66Å; C123-F189 HydrophobicContact CB-CE2 3.74Å; V149-F189 HydrophobicContact CB-CD1 3.95Å; V149-F189 HydrophobicContact CB-CE1 4.09Å; V149-F189 HydrophobicContact CG1-CD1 4.02Å; V149-F189 HydrophobicContact CG2-CD1 4.12Å; V149-F189 HydrophobicContact CG2-CE1 4.18Å; V185-F189 VanDerWaalsContact O-CB 3.32Å; V185-F189 WeakPolarHBondContact O-CB 3.08Å; V185-F189 PolarHBondContact O-N 3.2Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 3.3Å; F189-W191 PolarHBondContact O-N 2.82Å; F189-I192 PolarHBondContact O-N 2.93Å; F189-M193 HydrophobicContact CD1-CG 4Å; F189-M193 HydrophobicContact CD2-CG 4.25Å; F189-M193 HydrophobicContact CE1-CB 4.3Å; F189-M193 HydrophobicContact CE1-CG 3.62Å; F189-M193 HydrophobicContact CE2-CG 3.88Å; F189-M193 HydrophobicContact CG-CG 4.3Å; F189-M193 HydrophobicContact CZ-CG 3.54Å; F189-M193 HydrophobicContact CZ-SD 4.39Å; F189-M193 WeakPolarHBondContact O-CB 3.33Å; F189-M193 WeakPolarHBondContact O-CG 3.41Å; F189-M193 PolarHBondContact O-N 3.12Å; F189-V216 HydrophobicContact CE1-CG1 3.84Å; F189-V216 HydrophobicContact CZ-CG1 3.67Å; F189-F218 AromaticContact CE2-CE2 3.87Å; F189-F218 HydrophobicContact CE2-CE2 3.87Å; F189-F218 AromaticContact CE2-CZ 3.85Å; F189-F218 HydrophobicContact CE2-CZ 3.85Å; F189-F218 HydrophobicContact CZ-CE2 4.02Å; F189-F218 HydrophobicContact CZ-CZ 4.13Å
190K96.1Very high94.7Very high57 Ų5746.4 Ų46.425%0.24823%0.225CC..Hα-helixtrans-61.4-40.9178-72.3177.7-170.8-152.70112.4L147 K186 E187 I192 M193 Q194L147-K190 HydrophobicContact CB-CG 4.46Å; L147-K190 WeakPolarHBondContact O-CE 3.46Å; L147-K190 PolarHBondContact O-NZ 3.07Å; K186-K190 VanDerWaalsContact O-CG 3.26Å; K186-K190 WeakPolarHBondContact O-CG 3.46Å; K186-K190 PolarHBondContact O-N 3.23Å; K186-K190 VanDerWaalsContact O-N 3.08Å; E187-K190 PolarHBondContact O-N 2.74Å; E187-K190 VanDerWaalsContact O-N 3.13Å; K190-I192 PolarHBondContact O-N 3.18Å; K190-M193 PolarHBondContact O-N 3.18Å; K190-Q194 WeakPolarHBondContact O-CB 3.35Å; K190-Q194 PolarHBondContact O-N 3.17Å
191W95.3Very high95.3Very high37 Ų3740.2 Ų40.214%0.1419%0.192CC..Hα-helixtrans-61.4-33.9178.7-63.6-13.9000113.3Q34 Y37 R38 I183 E187 A188 F189Q34-W191 HydrophobicContact CB-CB 4.26Å; Q34-W191 HydrophobicContact CB-CD2 4.47Å; Q34-W191 HydrophobicContact CB-CG 4.32Å; Q34-W191 HydrophobicContact CG-CB 4.19Å; Q34-W191 HydrophobicContact CG-CD2 3.75Å; Q34-W191 HydrophobicContact CG-CE3 4.18Å; Q34-W191 HydrophobicContact CG-CG 3.73Å; Y37-W191 AromaticContact CD2-CE3 3.66Å; Y37-W191 HydrophobicContact CD2-CE3 3.66Å; Y37-W191 AromaticContact CD2-CZ3 3.95Å; Y37-W191 HydrophobicContact CD2-CZ3 3.95Å; Y37-W191 AromaticContact CE2-CE3 3.74Å; Y37-W191 HydrophobicContact CE2-CE3 3.74Å; Y37-W191 AromaticContact CE2-CZ3 3.52Å; Y37-W191 HydrophobicContact CE2-CZ3 3.52Å; Y37-W191 HydrophobicContact CG-CE3 4.23Å; R38-W191 PolarHBondContact NE-O 3.25Å; R38-W191 PolarHBondContact NH2-O 3.08Å; I183-W191 HydrophobicContact CD1-CH2 3.84Å; I183-W191 HydrophobicContact CD1-CZ3 3.89Å; I183-W191 HydrophobicContact CG1-CH2 4.05Å; I183-W191 HydrophobicContact CG1-CZ3 4.44Å; I183-W191 HydrophobicContact CG2-CH2 3.69Å; I183-W191 HydrophobicContact CG2-CZ2 4.45Å; I183-W191 HydrophobicContact CG2-CZ3 3.76Å; E187-W191 HydrophobicContact CB-CZ2 4.37Å; E187-W191 VanDerWaalsContact O-CG 3.23Å; E187-W191 PolarHBondContact O-N 3.49Å; A188-W191 PolarHBondContact O-N 3.34Å; F189-W191 PolarHBondContact O-N 2.82Å
192I95.5Very high95.6Very high6 Ų644.3 Ų44.33%0.03121%0.209CC..Hα-helixtrans-76.4-54.1176.8-59.8162.1000109.6Y37 L119 C123 A188 F189 K190 Q194 L196Y37-I192 WeakPolarHBondContact O-CG1 3.26Å; L119-I192 HydrophobicContact CD2-CD1 4.19Å; C123-I192 HydrophobicContact CB-CD1 4.47Å; C123-I192 HydrophobicContact CB-CG2 4.39Å; C123-I192 WeakPolarHBondContact O-CG2 3.43Å; A188-I192 WeakPolarHBondContact O-CD1 3.39Å; A188-I192 VanDerWaalsContact O-CG1 3.23Å; A188-I192 WeakPolarHBondContact O-CG1 3.29Å; A188-I192 PolarHBondContact O-N 2.91Å; F189-I192 PolarHBondContact O-N 2.93Å; K190-I192 PolarHBondContact O-N 3.18Å; I192-Q194 PolarHBondContact O-N 3.25Å; I192-L196 HydrophobicContact CG2-CD1 4.3Å
193M96.3Very high95.6Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-70.3-32.7-172-66.8-54.5-66.800113.5C123 Q127 A128 M131 L147 F189 K190 G195 L196 V197C123-M193 VanDerWaalsContact C-SD 3.54Å; C123-M193 HydrophobicContact CB-CG 4.41Å; C123-M193 HydrophobicContact CB-SD 4.07Å; Q127-M193 HydrophobicContact CB-CE 3.98Å; Q127-M193 HydrophobicContact CG-CE 3.83Å; A128-M193 HydrophobicContact CB-CE 3.79Å; M131-M193 HydrophobicContact SD-CE 3.79Å; L147-M193 HydrophobicContact CD1-CB 4.06Å; F189-M193 HydrophobicContact CD1-CG 4Å; F189-M193 HydrophobicContact CD2-CG 4.25Å; F189-M193 HydrophobicContact CE1-CB 4.3Å; F189-M193 HydrophobicContact CE1-CG 3.62Å; F189-M193 HydrophobicContact CE2-CG 3.88Å; F189-M193 HydrophobicContact CG-CG 4.3Å; F189-M193 HydrophobicContact CZ-CG 3.54Å; F189-M193 HydrophobicContact CZ-SD 4.39Å; F189-M193 WeakPolarHBondContact O-CB 3.33Å; F189-M193 WeakPolarHBondContact O-CG 3.41Å; F189-M193 PolarHBondContact O-N 3.12Å; K190-M193 PolarHBondContact O-N 3.18Å; M193-G195 PolarHBondContact O-N 3.37Å; M193-L196 PolarHBondContact O-N 2.79Å; M193-L196 VanDerWaalsContact O-N 3.12Å; M193-L196 HydrophobicContact SD-CD1 4.25Å; M193-V197 HydrophobicContact CE-CG2 4.28Å; M193-V197 WeakPolarHBondContact O-CB 3.42Å; M193-V197 WeakPolarHBondContact O-CG2 3.44Å; M193-V197 PolarHBondContact O-N 3.02Å
194Q95Very high95.6Very high65 Ų6547 Ų4730%0.30424%0.236SC..Hα-helixtrans-51.2-51.7-179.2165.5166.118.800112.4L147 K190 I192 L196 T198 V206L147-Q194 HydrophobicContact CD1-CB 4.45Å; K190-Q194 WeakPolarHBondContact O-CB 3.35Å; K190-Q194 PolarHBondContact O-N 3.17Å; I192-Q194 PolarHBondContact O-N 3.25Å; Q194-L196 VanDerWaalsContact C-N 3.34Å; Q194-L196 PolarHBondContact O-N 3Å; Q194-T198 WeakPolarHBondContact O-CB 3.22Å; Q194-T198 PolarHBondContact O-N 3.42Å; Q194-T198 PolarHBondContact O-OG1 3.4Å; Q194-V206 HydrophobicContact CB-CG1 4.29Å; Q194-V206 HydrophobicContact CG-CB 3.92Å; Q194-V206 HydrophobicContact CG-CG1 4.1Å; Q194-V206 PolarHBondContact NE2-O 3.44Å; Q194-V206 VanDerWaalsContact NE2-O 3.1Å
195G92.3Very high95.6Very high29 Ų2945.8 Ų45.830%0.29924%0.238SC..Hα-helixtrans-68.7-33.1-178.500000113.2M193 R199M193-G195 PolarHBondContact O-N 3.37Å; G195-R199 PolarHBondContact O-N 3.4Å
196L95.8Very high95.6Very high31 Ų3146.3 Ų46.316%0.16224%0.242CC..Hα-helixtrans-72.3-47.7178.6-61.9175.8000111A128 I192 M193 Q194 R199 Q200A128-L196 HydrophobicContact CB-CB 3.58Å; I192-L196 HydrophobicContact CG2-CD1 4.3Å; M193-L196 PolarHBondContact O-N 2.79Å; M193-L196 VanDerWaalsContact O-N 3.12Å; M193-L196 HydrophobicContact SD-CD1 4.25Å; Q194-L196 VanDerWaalsContact C-N 3.34Å; Q194-L196 PolarHBondContact O-N 3Å; L196-R199 WeakPolarHBondContact O-CB 3.17Å; L196-R199 PolarHBondContact O-N 3.12Å; L196-Q200 WeakPolarHBondContact O-CG 3.5Å; L196-Q200 PolarHBondContact O-N 2.86Å
197V96.8Very high95.6Very high1 Ų145.7 Ų45.71%0.00624%0.243CC..Hα-helixtrans-63.6-45.1178.9172.30000111A128 M131 L145 L147 M193 R199 Q200 L201 V206A128-V197 HydrophobicContact CB-CG2 4.24Å; M131-V197 HydrophobicContact SD-CG2 4.2Å; L145-V197 HydrophobicContact CD2-CG1 4.26Å; L147-V197 HydrophobicContact CD1-CG2 4.34Å; L147-V197 HydrophobicContact CD2-CG1 4.35Å; L147-V197 HydrophobicContact CD2-CG2 4.34Å; M193-V197 HydrophobicContact CE-CG2 4.28Å; M193-V197 WeakPolarHBondContact O-CB 3.42Å; M193-V197 WeakPolarHBondContact O-CG2 3.44Å; M193-V197 PolarHBondContact O-N 3.02Å; V197-R199 PolarHBondContact O-N 2.96Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-Q200 VanDerWaalsContact O-N 3.13Å; V197-L201 HydrophobicContact CG1-CD1 3.68Å; V197-L201 HydrophobicContact CG1-CG 4.35Å; V197-L201 WeakPolarHBondContact O-CB 3.41Å; V197-L201 PolarHBondContact O-N 2.9Å; V197-V206 HydrophobicContact CG1-CG2 4.32Å
198T96.2Very high95.4Very high38 Ų3847.9 Ų47.923%0.23327%0.266CS..Hα-helixtrans-56.5-39.1174.7-72.20000111.9Q194 L201 E202 G203 V204 V206Q194-T198 WeakPolarHBondContact O-CB 3.22Å; Q194-T198 PolarHBondContact O-N 3.42Å; Q194-T198 PolarHBondContact O-OG1 3.4Å; T198-L201 CarbonylContact O-C 3.5Å; T198-E202 PolarHBondContact O-N 2.83Å; T198-G203 WeakPolarHBondContact O-CA 3.37Å; T198-G203 PolarHBondContact O-N 3.48Å; T198-V204 WeakPolarHBondContact CG2-O 3.5Å; T198-V204 PolarHBondContact OG1-O 2.98Å; T198-V206 WeakPolarHBondContact OG1-CG2 3.35Å
199R95.6Very high95.2Very high181 Ų18156.8 Ų56.868%0.68331%0.305SS*.Hα-helixtrans-67.7-42.5177.1-170.5-175.3-60.9147.41.1112.2G195 L196 V197 L201 E202G195-R199 PolarHBondContact O-N 3.4Å; L196-R199 WeakPolarHBondContact O-CB 3.17Å; L196-R199 PolarHBondContact O-N 3.12Å; V197-R199 PolarHBondContact O-N 2.96Å; R199-L201 VanDerWaalsContact C-N 3.33Å; R199-E202 PolarHBondContact O-N 3.38Å
200Q96.7Very high95.2Very high69 Ų6957.6 Ų57.632%0.32231%0.311SS..Hα-helixtrans-72.3-26.9-179-64.9-60.4-14.500113.2A128 V129 A132 K136 L196 V197A128-Q200 HydrophobicContact CB-CG 4.21Å; V129-Q200 HydrophobicContact CG2-CG 4.37Å; A132-Q200 HydrophobicContact CB-CB 3.49Å; A132-Q200 VanDerWaalsContact CB-CB 3.49Å; K136-Q200 PolarHBondContact NZ-O 3.22Å; L196-Q200 WeakPolarHBondContact O-CG 3.5Å; L196-Q200 PolarHBondContact O-N 2.86Å; V197-Q200 PolarHBondContact O-N 3.41Å; V197-Q200 VanDerWaalsContact O-N 3.13Å
201L95.8Very high95.2Very high9 Ų957.8 Ų57.85%0.04732%0.318CS..THydrogen-bonded Turntrans-98.734.7175.2-65.4176000112.3A132 V135 K136 L145 V197 T198 R199 G203 V204A132-L201 HydrophobicContact CB-CD2 3.78Å; A132-L201 HydrophobicContact CB-CG 4.04Å; V135-L201 HydrophobicContact CB-CD2 4.24Å; V135-L201 HydrophobicContact CG1-CD1 4.26Å; V135-L201 HydrophobicContact CG1-CD2 4Å; K136-L201 HydrophobicContact CG-CD2 4.3Å; L145-L201 HydrophobicContact CD2-CD1 3.36Å; V197-L201 HydrophobicContact CG1-CD1 3.68Å; V197-L201 HydrophobicContact CG1-CG 4.35Å; V197-L201 WeakPolarHBondContact O-CB 3.41Å; V197-L201 PolarHBondContact O-N 2.9Å; T198-L201 CarbonylContact O-C 3.5Å; R199-L201 VanDerWaalsContact C-N 3.33Å; L201-G203 PolarHBondContact O-N 3.12Å; L201-V204 HydrophobicContact CB-CB 4.04Å; L201-V204 HydrophobicContact CB-CG2 4.25Å; L201-V204 VanDerWaalsContact O-CG2 3.26Å; L201-V204 WeakPolarHBondContact O-CG2 3.36Å; L201-V204 PolarHBondContact O-N 3.27Å
202E94Very high95.3Very high167 Ų16756 Ų5678%0.7831%0.311SS*.THydrogen-bonded Turntrans54.933.7166.9-64.4163.1-138.300114.3K136 T198 R199K136-E202 IonicContact NZ-OE1 3.75Å; K136-E202 PolarHBondContact NZ-OE1 3.43Å; T198-E202 PolarHBondContact O-N 2.83Å; R199-E202 PolarHBondContact O-N 3.38Å
203G92.9Very high95.4Very high51 Ų5159.6 Ų59.653%0.52633%0.327SS..THydrogen-bonded Turntrans92.85.917700000115.4T198 L201 A205T198-G203 WeakPolarHBondContact O-CA 3.37Å; T198-G203 PolarHBondContact O-N 3.48Å; L201-G203 PolarHBondContact O-N 3.12Å; G203-A205 PolarHBondContact O-N 2.82Å
204V96.1Very high95.5Very high35 Ų3559.6 Ų59.621%0.21233%0.328CS..PPolyproline II helixtrans-54.6126.8172.8171.50000110.4F142 L145 T198 L201 V206F142-V204 HydrophobicContact CD2-CG1 4.31Å; F142-V204 HydrophobicContact CE2-CG1 4Å; F142-V204 HydrophobicContact CE2-CG2 4.32Å; L145-V204 HydrophobicContact CD2-CG1 4.1Å; L145-V204 HydrophobicContact CG-CG1 4.44Å; T198-V204 WeakPolarHBondContact CG2-O 3.5Å; T198-V204 PolarHBondContact OG1-O 2.98Å; L201-V204 HydrophobicContact CB-CB 4.04Å; L201-V204 HydrophobicContact CB-CG2 4.25Å; L201-V204 VanDerWaalsContact O-CG2 3.26Å; L201-V204 WeakPolarHBondContact O-CG2 3.36Å; L201-V204 PolarHBondContact O-N 3.27Å; V204-V206 PolarHBondContact O-N 3.48Å
205A96.1Very high95.6Very high46 Ų4656.8 Ų56.838%0.3832%0.316SS..EExtended strand (participates in β ladder)trans-71.8125.6-178.300000111T144 L145 G203 V207T144-A205 WeakPolarHBondContact CA-O 3.36Å; T144-A205 WeakPolarHBondContact CB-O 3.35Å; T144-A205 HydrophobicContact CG2-CB 4.14Å; L145-A205 PolarHBondContact N-O 3.26Å; G203-A205 PolarHBondContact O-N 2.82Å; A205-V207 HydrophobicContact CB-CG1 4.25Å
206V96.1Very high95.8Very high15 Ų1555.5 Ų55.59%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-90.4117.9168.1177.20000108.5L145 L147 Q194 V197 T198 V204L145-V206 HydrophobicContact CD1-CB 4.39Å; L145-V206 HydrophobicContact CD1-CG1 4.2Å; L145-V206 HydrophobicContact CD1-CG2 3.77Å; L145-V206 HydrophobicContact CG-CG2 4.07Å; L145-V206 CarbonylContact O-C 3.24Å; L145-V206 VanDerWaalsContact O-CA 3.3Å; L145-V206 WeakPolarHBondContact O-CA 3.38Å; L147-V206 HydrophobicContact CB-CG1 4.35Å; L147-V206 HydrophobicContact CD1-CG1 3.88Å; L147-V206 HydrophobicContact CD1-CG2 4.46Å; L147-V206 HydrophobicContact CG-CG1 3.72Å; L147-V206 HydrophobicContact CG-CG2 4.48Å; Q194-V206 HydrophobicContact CB-CG1 4.29Å; Q194-V206 HydrophobicContact CG-CB 3.92Å; Q194-V206 HydrophobicContact CG-CG1 4.1Å; Q194-V206 PolarHBondContact NE2-O 3.44Å; Q194-V206 VanDerWaalsContact NE2-O 3.1Å; V197-V206 HydrophobicContact CG1-CG2 4.32Å; T198-V206 WeakPolarHBondContact OG1-CG2 3.35Å; V204-V206 PolarHBondContact O-N 3.48Å
207V95.4Very high95.8Very high53 Ų5357.7 Ų57.732%0.32131%0.312SS..  trans-126165.4-173.4-63.60000111.2L145 V146 A205 K209L145-V207 PolarHBondContact O-N 2.87Å; V146-V207 WeakPolarHBondContact CA-O 3.4Å; V146-V207 WeakPolarHBondContact CB-O 3.35Å; V146-V207 WeakPolarHBondContact CG2-O 3.02Å; A205-V207 HydrophobicContact CB-CG1 4.25Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 WeakPolarHBondContact CG2-O 3.36Å
208S91.3Very high95.8Very high113 Ų11357.8 Ų57.879%0.7931%0.312SS*.SBendtrans-77.7-18.1178.257.20000113.8
209K93.6Very high95.7Very high188 Ų18857.9 Ų57.982%0.81731%0.313SS*.SBendtrans-135.3106.5178.3-65.3-176.5-179.5-178.60108.8V207V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 WeakPolarHBondContact CG2-O 3.36Å
210S96.4Very high95.8Very high19 Ų1949.6 Ų49.613%0.13328%0.281CS..  trans-136.5148.1171.4172.60000109T144 F212T144-S210 VanDerWaalsContact C-OG 3.27Å; T144-S210 PolarHBondContact O-OG 2.73Å; T144-S210 PolarHBondContact OG1-OG 2.84Å; S210-F212 PolarHBondContact O-N 2.78Å; S210-F212 PolarHBondContact OG-N 2.72Å; S210-F212 PolarHBondContact OG-O 2.77Å
211P95.7Very high95.6Very high60 Ų6050.3 Ų50.339%0.3929%0.292SS..SBendtrans-66.3-14.6166.629.7-37.1000113.6H289 V290P211-H289 CarbonylContact O-C 3.58Å; P211-H289 WeakPolarHBondContact O-CA 3.21Å; P211-V290 HydrophobicContact CB-CG2 3.39Å; P211-V290 WeakPolarHBondContact O-CG1 3.41Å; P211-V290 PolarHBondContact O-N 3.15Å
212F97.9Very high95.4Very high0 Ų054.8 Ų54.80%032%0.316CS..EExtended strand (participates in β ladder)trans-113.7122-179.8-176.7-120000110.9V135 Y140 F142 L145 V146 S210 V214 C287 H289V135-F212 HydrophobicContact CG1-CE1 4.08Å; V135-F212 HydrophobicContact CG1-CZ 4.33Å; Y140-F212 HydrophobicContact CD1-CD2 4.16Å; Y140-F212 AromaticContact CD1-CE2 3.76Å; Y140-F212 HydrophobicContact CD1-CE2 3.76Å; Y140-F212 AromaticContact CD2-CE2 3.6Å; Y140-F212 HydrophobicContact CD2-CE2 3.6Å; Y140-F212 AromaticContact CD2-CZ 3.93Å; Y140-F212 HydrophobicContact CD2-CZ 3.93Å; Y140-F212 HydrophobicContact CE1-CE2 4.3Å; Y140-F212 HydrophobicContact CE2-CE2 4.13Å; Y140-F212 HydrophobicContact CG-CD2 4.15Å; Y140-F212 AromaticContact CG-CE2 3.41Å; Y140-F212 HydrophobicContact CG-CE2 3.41Å; Y140-F212 VanDerWaalsContact CG-CE2 3.41Å; Y140-F212 AromaticContact CG-CZ 4Å; Y140-F212 HydrophobicContact CG-CZ 4Å; F142-F212 HydrophobicContact CB-CB 3.7Å; F142-F212 HydrophobicContact CB-CD1 3.86Å; F142-F212 HydrophobicContact CB-CG 3.86Å; F142-F212 AromaticContact CD1-CD1 3.5Å; F142-F212 HydrophobicContact CD1-CD1 3.5Å; F142-F212 HydrophobicContact CD1-CD2 4.42Å; F142-F212 AromaticContact CD1-CE1 3.51Å; F142-F212 HydrophobicContact CD1-CE1 3.51Å; F142-F212 HydrophobicContact CD1-CE2 4.43Å; F142-F212 AromaticContact CD1-CG 3.99Å; F142-F212 HydrophobicContact CD1-CG 3.99Å; F142-F212 AromaticContact CD1-CZ 4Å; F142-F212 HydrophobicContact CD1-CZ 4Å; F142-F212 AromaticContact CD2-CD1 3.58Å; F142-F212 HydrophobicContact CD2-CD1 3.58Å; F142-F212 HydrophobicContact CD2-CE1 4.02Å; F142-F212 HydrophobicContact CD2-CG 4.44Å; F142-F212 AromaticContact CE1-CD1 3.92Å; F142-F212 HydrophobicContact CE1-CD1 3.92Å; F142-F212 AromaticContact CE1-CE1 3.45Å; F142-F212 HydrophobicContact CE1-CE1 3.45Å; F142-F212 VanDerWaalsContact CE1-CE1 3.45Å; F142-F212 AromaticContact CE1-CZ 3.93Å; F142-F212 HydrophobicContact CE1-CZ 3.93Å; F142-F212 AromaticContact CE2-CD1 3.98Å; F142-F212 HydrophobicContact CE2-CD1 3.98Å; F142-F212 AromaticContact CE2-CE1 3.96Å; F142-F212 HydrophobicContact CE2-CE1 3.96Å; F142-F212 HydrophobicContact CG-CB 4.19Å; F142-F212 AromaticContact CG-CD1 3.33Å; F142-F212 HydrophobicContact CG-CD1 3.33Å; F142-F212 AromaticContact CG-CE1 3.81Å; F142-F212 HydrophobicContact CG-CE1 3.81Å; F142-F212 AromaticContact CG-CG 3.83Å; F142-F212 HydrophobicContact CG-CG 3.83Å; F142-F212 HydrophobicContact CZ-CD1 4.15Å; F142-F212 AromaticContact CZ-CE1 3.7Å; F142-F212 HydrophobicContact CZ-CE1 3.7Å; L145-F212 CarbonylContact C-O 3.57Å; L145-F212 VanDerWaalsContact CA-O 3.26Å; L145-F212 WeakPolarHBondContact CA-O 3.19Å; L145-F212 HydrophobicContact CB-CD1 3.79Å; L145-F212 HydrophobicContact CB-CE1 4.44Å; V146-F212 PolarHBondContact N-O 2.97Å; S210-F212 PolarHBondContact O-N 2.78Å; S210-F212 PolarHBondContact OG-N 2.72Å; S210-F212 PolarHBondContact OG-O 2.77Å; F212-V214 HydrophobicContact CD1-CG2 4.17Å; F212-V214 HydrophobicContact CE1-CG2 3.56Å; F212-V214 HydrophobicContact CZ-CG2 3.97Å; F212-C287 HydrophobicContact CE2-CB 3.92Å; F212-C287 HydrophobicContact CZ-CB 3.88Å; F212-H289 HydrophobicContact CD2-CB 4.35Å
213E97.9Very high95.4Very high81 Ų8147 Ų4738%0.37928%0.28SS..EExtended strand (participates in β ladder)trans-110.8132.6-177.9179.6174.3164.600110.5V146 S148 C287 L288V146-E213 HydrophobicContact CG1-CB 3.8Å; V146-E213 HydrophobicContact CG1-CG 4.06Å; V146-E213 WeakPolarHBondContact O-CA 3.44Å; S148-E213 WeakPolarHBondContact CB-OE1 3.39Å; S148-E213 PolarHBondContact OG-OE1 2.84Å; E213-C287 WeakPolarHBondContact O-CA 3.5Å; E213-L288 PolarHBondContact N-O 2.87Å; E213-L288 PolarHBondContact O-N 3.13Å
214V98.1Very high95.3Very high1 Ų149.5 Ų49.51%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-118.7111.9171.6-174.40000108.2M131 V135 L145 V146 L147 S148 F212 I285 Q286M131-V214 HydrophobicContact CE-CG1 3.73Å; V135-V214 HydrophobicContact CG2-CB 4.37Å; V135-V214 HydrophobicContact CG2-CG1 3.77Å; V135-V214 HydrophobicContact CG2-CG2 3.61Å; L145-V214 HydrophobicContact CB-CG2 4.38Å; L145-V214 HydrophobicContact CD1-CB 4.44Å; L145-V214 HydrophobicContact CD1-CG2 4.29Å; L145-V214 HydrophobicContact CD2-CG2 4.24Å; V146-V214 PolarHBondContact O-N 2.83Å; L147-V214 WeakPolarHBondContact CA-O 3.25Å; L147-V214 HydrophobicContact CD2-CB 4.31Å; S148-V214 PolarHBondContact N-O 3.06Å; F212-V214 HydrophobicContact CD1-CG2 4.17Å; F212-V214 HydrophobicContact CE1-CG2 3.56Å; F212-V214 HydrophobicContact CZ-CG2 3.97Å; V214-I285 HydrophobicContact CG1-CG2 3.87Å; V214-Q286 CarbonylContact C-O 3.52Å; V214-Q286 WeakPolarHBondContact CA-O 3.29Å
215G96.6Very high95.1Very high5 Ų551 Ų515%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-112.8146.6-17400000113.1S148 I285 Q286S148-G215 WeakPolarHBondContact O-CA 3.23Å; S148-G215 WeakPolarHBondContact OG-CA 3.48Å; G215-I285 WeakPolarHBondContact O-CA 3.05Å; G215-Q286 PolarHBondContact N-O 3.35Å; G215-Q286 PolarHBondContact O-N 3.1Å
216V96.3Very high95Very high2 Ų249.8 Ų49.81%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-124.3135.1164.660.80000109.3S148 V149 S150 F189 F218 P282S148-V216 PolarHBondContact O-N 2.89Å; V149-V216 CarbonylContact C-O 3.54Å; V149-V216 VanDerWaalsContact CA-O 3.28Å; V149-V216 WeakPolarHBondContact CA-O 3.28Å; V149-V216 HydrophobicContact CB-CG1 4.36Å; V149-V216 HydrophobicContact CG2-CG1 4.1Å; S150-V216 PolarHBondContact N-O 3.41Å; F189-V216 HydrophobicContact CE1-CG1 3.84Å; F189-V216 HydrophobicContact CZ-CG1 3.67Å; V216-F218 HydrophobicContact CG1-CD2 4.49Å; V216-F218 HydrophobicContact CG1-CE2 3.68Å; V216-F218 HydrophobicContact CG1-CZ 4.12Å; V216-F218 HydrophobicContact CG2-CE1 4.43Å; V216-F218 HydrophobicContact CG2-CE2 4.06Å; V216-F218 HydrophobicContact CG2-CZ 3.98Å; V216-P282 HydrophobicContact CG2-CB 4.34Å
217E95.9Very high94.9Very high78 Ų7849.1 Ų49.136%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-105.2142.3173.6176.4169.5-162.800110.3Q283E217-Q283 HydrophobicContact CB-CB 4Å; E217-Q283 HydrophobicContact CB-CG 4.2Å; E217-Q283 HydrophobicContact CG-CB 4.38Å; E217-Q283 HydrophobicContact CG-CG 4.03Å; E217-Q283 WeakPolarHBondContact O-CB 3.49Å; E217-Q283 PolarHBondContact O-N 3.33Å
218F96.5Very high94.8Very high2 Ų251 Ų511%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-120.2139.7175.5-67.2-79.6000110.1I118 L122 V149 S150 L151 P152 F189 V216 C280 T281 P282I118-F218 HydrophobicContact CD1-CB 3.97Å; I118-F218 HydrophobicContact CD1-CD2 4.13Å; I118-F218 HydrophobicContact CD1-CG 4.02Å; I118-F218 HydrophobicContact CG1-CD1 4.33Å; I118-F218 HydrophobicContact CG1-CD2 4.4Å; I118-F218 HydrophobicContact CG1-CG 4.17Å; I118-F218 HydrophobicContact CG2-CE2 4.33Å; L122-F218 HydrophobicContact CB-CE1 3.86Å; L122-F218 HydrophobicContact CB-CZ 4.23Å; L122-F218 HydrophobicContact CD1-CD1 4.04Å; L122-F218 HydrophobicContact CD1-CE1 3.84Å; L122-F218 HydrophobicContact CD2-CE1 4.5Å; L122-F218 HydrophobicContact CG-CE1 4.28Å; V149-F218 HydrophobicContact CG2-CD2 3.75Å; V149-F218 HydrophobicContact CG2-CE2 3.69Å; S150-F218 PolarHBondContact O-N 2.79Å; L151-F218 HydrophobicContact CD2-CD2 4.18Å; P152-F218 VanDerWaalsContact CD-O 3.24Å; P152-F218 WeakPolarHBondContact CD-O 3.42Å; P152-F218 HydrophobicContact CG-CB 4.45Å; P152-F218 WeakPolarHBondContact CG-O 3.4Å; F189-F218 AromaticContact CE2-CE2 3.87Å; F189-F218 HydrophobicContact CE2-CE2 3.87Å; F189-F218 AromaticContact CE2-CZ 3.85Å; F189-F218 HydrophobicContact CE2-CZ 3.85Å; F189-F218 HydrophobicContact CZ-CE2 4.02Å; F189-F218 HydrophobicContact CZ-CZ 4.13Å; V216-F218 HydrophobicContact CG1-CD2 4.49Å; V216-F218 HydrophobicContact CG1-CE2 3.68Å; V216-F218 HydrophobicContact CG1-CZ 4.12Å; V216-F218 HydrophobicContact CG2-CE1 4.43Å; V216-F218 HydrophobicContact CG2-CE2 4.06Å; V216-F218 HydrophobicContact CG2-CZ 3.98Å; F218-C280 HydrophobicContact CB-CB 4.23Å; F218-C280 HydrophobicContact CD1-CB 4.18Å; F218-T281 WeakPolarHBondContact CA-O 3.39Å; F218-P282 HydrophobicContact CD1-CB 4.01Å; F218-P282 HydrophobicContact CE1-CB 3.7Å
219T95.8Very high95Very high41 Ų4146.6 Ų46.625%0.25225%0.245SC..EExtended strand (participates in β ladder)trans-126.1153.5174.358.50000110.5C280 T281 Q283T219-C280 WeakPolarHBondContact O-CA 3.45Å; T219-T281 PolarHBondContact N-O 3.23Å; T219-T281 PolarHBondContact O-N 2.62Å; T219-Q283 HydrophobicContact CG2-CG 3.92Å; T219-Q283 PolarHBondContact OG1-NE2 3.42Å
220H96Very high95Very high6 Ų637.7 Ų37.73%0.02821%0.206CC..  trans-145.284.4173-168.2-83.5000110.7L116 P152 Q154 D222 T223 E224 G278L116-H220 HydrophobicContact CD1-CB 3.99Å; P152-H220 HydrophobicContact CG-CB 4.31Å; Q154-H220 PolarHBondContact NE2-O 3.22Å; H220-D222 VanDerWaalsContact C-N 3.28Å; H220-D222 PolarHBondContact O-N 2.78Å; H220-T223 VanDerWaalsContact CE1-CG2 3.45Å; H220-T223 WeakPolarHBondContact CE1-CG2 3.44Å; H220-T223 WeakPolarHBondContact ND1-CG2 3.41Å; H220-T223 PolarHBondContact ND1-N 2.84Å; H220-T223 PolarHBondContact ND1-OG1 2.87Å; H220-T223 PolarHBondContact O-N 3.19Å; H220-E224 PolarHBondContact O-N 2.58Å; H220-G278 PolarHBondContact NE2-O 2.86Å
221P92.9Very high94.8Very high84 Ų8438.2 Ų38.255%0.54521%0.212SC..G310 helixtrans-54.8-40.2-174.8-27.636.4000113.7T223 E224P221-T223 PolarHBondContact O-N 3.12Å; P221-E224 WeakPolarHBondContact O-CB 3.36Å; P221-E224 PolarHBondContact O-N 2.94Å
222D93Very high94.5Very high103 Ų10344.1 Ų44.155%0.55123%0.232SC*.G310 helixtrans-60.7-18-174.8-57.9-1.3000114.1H220 S277H220-D222 VanDerWaalsContact C-N 3.28Å; H220-D222 PolarHBondContact O-N 2.78Å; D222-S277 WeakPolarHBondContact CB-OG 3.39Å; D222-S277 PolarHBondContact OD2-OG 3.39Å
223T93.6Very high94.2Very high5 Ų544.9 Ų44.93%0.03124%0.237CC..G310 helixtrans-123.213.7-179.760.90000112.8L116 Q154 H220 P221 S225 D226L116-T223 WeakPolarHBondContact CD1-OG1 3.34Å; Q154-T223 WeakPolarHBondContact CB-O 3.3Å; Q154-T223 WeakPolarHBondContact CG-O 3.34Å; Q154-T223 WeakPolarHBondContact CG-OG1 3.49Å; H220-T223 VanDerWaalsContact CE1-CG2 3.45Å; H220-T223 WeakPolarHBondContact CE1-CG2 3.44Å; H220-T223 WeakPolarHBondContact ND1-CG2 3.41Å; H220-T223 PolarHBondContact ND1-N 2.84Å; H220-T223 PolarHBondContact ND1-OG1 2.87Å; H220-T223 PolarHBondContact O-N 3.19Å; P221-T223 PolarHBondContact O-N 3.12Å; T223-S225 PolarHBondContact O-N 2.81Å; T223-D226 VanDerWaalsContact O-CB 3.24Å; T223-D226 WeakPolarHBondContact O-CB 3.47Å; T223-D226 VanDerWaalsContact O-CG 3.31Å; T223-D226 PolarHBondContact O-N 2.83Å
224E89.7Confident93.9Very high102 Ų10241.5 Ų41.548%0.47722%0.222SC..G310 helixtrans-56.3-35.2175.5-174.4175.9-168.500111.5H220 P221 D226 C227H220-E224 PolarHBondContact O-N 2.58Å; P221-E224 WeakPolarHBondContact O-CB 3.36Å; P221-E224 PolarHBondContact O-N 2.94Å; E224-D226 PolarHBondContact O-N 2.59Å; E224-D226 VanDerWaalsContact O-N 3.16Å; E224-C227 PolarHBondContact O-N 3.13Å
225S92Very high93.5Very high67 Ų6745.6 Ų45.647%0.46925%0.248SC..G310 helixtrans-66-14.7178.657.30000115.1T223 C227 H228T223-S225 PolarHBondContact O-N 2.81Å; S225-C227 PolarHBondContact O-N 3.46Å; S225-C227 VanDerWaalsContact O-N 3.08Å; S225-H228 WeakPolarHBondContact O-CB 3.29Å; S225-H228 PolarHBondContact O-N 2.98Å
226D94.4Very high93.3Very high21 Ų2149 Ų4911%0.11227%0.266CS..G310 helixtrans-58.8-24.3179.1-73.33.1000111.6Q154 R158 T223 E224 F229 Y269Q154-D226 HydrophobicContact CB-CB 3.81Å; R158-D226 IonicContact CZ-OD2 3.78Å; R158-D226 VanDerWaalsContact CZ-OD2 3.29Å; R158-D226 IonicContact NE-OD2 3.98Å; R158-D226 PolarHBondContact NE-OD2 3.01Å; R158-D226 IonicContact NH2-OD1 2.93Å; R158-D226 IonicContact NH2-OD2 3.88Å; R158-D226 PolarHBondContact NH2-OD2 3.22Å; T223-D226 VanDerWaalsContact O-CB 3.24Å; T223-D226 WeakPolarHBondContact O-CB 3.47Å; T223-D226 VanDerWaalsContact O-CG 3.31Å; T223-D226 PolarHBondContact O-N 2.83Å; E224-D226 PolarHBondContact O-N 2.59Å; E224-D226 VanDerWaalsContact O-N 3.16Å; D226-F229 VanDerWaalsContact O-CD1 3.22Å; D226-F229 WeakPolarHBondContact O-CD1 3.34Å; D226-F229 WeakPolarHBondContact O-CE1 3.5Å; D226-Y269 HydrophobicContact CB-CE2 3.71Å; D226-Y269 PolarHBondContact OD2-OH 3.02Å
227C93.6Very high92.9Very high1 Ų150 Ų501%0.00727%0.272CS..G310 helixtrans-85.6-15.9176.9-63.40000114.2Q154 E224 S225 F229 L230 F248 V253Q154-C227 WeakPolarHBondContact CA-SG 3.36Å; E224-C227 PolarHBondContact O-N 3.13Å; S225-C227 PolarHBondContact O-N 3.46Å; S225-C227 VanDerWaalsContact O-N 3.08Å; C227-F229 VanDerWaalsContact C-N 3.34Å; C227-F229 PolarHBondContact O-N 3.12Å; C227-L230 WeakPolarHBondContact O-CB 3.38Å; C227-L230 PolarHBondContact O-N 3.22Å; C227-L230 VanDerWaalsContact O-N 3.08Å; C227-F248 HydrophobicContact CB-CB 4.22Å; C227-F248 HydrophobicContact CB-CD1 3.48Å; C227-F248 VanDerWaalsContact CB-CD1 3.48Å; C227-F248 HydrophobicContact CB-CE1 4Å; C227-F248 HydrophobicContact CB-CG 3.93Å; C227-F248 VanDerWaalsContact O-CE1 3.28Å; C227-F248 WeakPolarHBondContact O-CE1 3.39Å; C227-V253 HydrophobicContact CB-CG2 4.2Å
228H94Very high92.6Very high91 Ų9147 Ų4742%0.42126%0.258SS..Hα-helixtrans-63.5-36.4-166.8-70.5175.9000113.7S225 L230 A231 F248S225-H228 WeakPolarHBondContact O-CB 3.29Å; S225-H228 PolarHBondContact O-N 2.98Å; H228-L230 PolarHBondContact O-N 2.99Å; H228-A231 PolarHBondContact O-N 2.65Å; H228-F248 AromaticContact CD2-CE2 3.53Å; H228-F248 AromaticContact CD2-CZ 3.69Å
229F94.7Very high91.8Very high22 Ų2255.9 Ų55.910%0.09629%0.292CS..Hα-helixtrans-64.4-30.2179.179.7-86.1000111.8V157 D226 C227 A231 K232 C233 I260 F265 H268 Y269V157-F229 HydrophobicContact CG1-CE1 3.81Å; V157-F229 HydrophobicContact CG1-CZ 4.18Å; D226-F229 VanDerWaalsContact O-CD1 3.22Å; D226-F229 WeakPolarHBondContact O-CD1 3.34Å; D226-F229 WeakPolarHBondContact O-CE1 3.5Å; C227-F229 VanDerWaalsContact C-N 3.34Å; C227-F229 PolarHBondContact O-N 3.12Å; F229-A231 VanDerWaalsContact C-N 3.28Å; F229-A231 PolarHBondContact O-N 2.75Å; F229-K232 WeakPolarHBondContact O-CB 3.27Å; F229-K232 PolarHBondContact O-N 3.04Å; F229-C233 PolarHBondContact O-N 3.26Å; F229-C233 PolarHBondContact O-SG 3.03Å; F229-I260 HydrophobicContact CD2-CD1 4.45Å; F229-I260 HydrophobicContact CE2-CD1 3.84Å; F229-F265 HydrophobicContact CE2-CD2 4.09Å; F229-F265 HydrophobicContact CE2-CE2 4.46Å; F229-F265 AromaticContact CZ-CD2 3.76Å; F229-F265 HydrophobicContact CZ-CD2 3.76Å; F229-F265 AromaticContact CZ-CE2 3.67Å; F229-F265 HydrophobicContact CZ-CE2 3.67Å; F229-H268 HydrophobicContact CB-CB 4.12Å; F229-H268 HydrophobicContact CD2-CB 3.44Å; F229-H268 VanDerWaalsContact CD2-CB 3.44Å; F229-H268 HydrophobicContact CE2-CB 4Å; F229-H268 HydrophobicContact CG-CB 3.87Å; F229-Y269 HydrophobicContact CD1-CD2 4.34Å; F229-Y269 AromaticContact CE1-CD2 3.76Å; F229-Y269 HydrophobicContact CE1-CD2 3.76Å; F229-Y269 HydrophobicContact CE1-CG 4.14Å; F229-Y269 HydrophobicContact CZ-CG 4.46Å
230L94.3Very high90.8Very high0 Ų059.4 Ų59.40%032%0.315CS..Hα-helixtrans-64.7-31.6178.5-65.6173.8000112.4V157 C227 H228 K232 C233 C234 F238 V253 A256 L257 I260V157-L230 HydrophobicContact CG2-CD1 3.88Å; C227-L230 WeakPolarHBondContact O-CB 3.38Å; C227-L230 PolarHBondContact O-N 3.22Å; C227-L230 VanDerWaalsContact O-N 3.08Å; H228-L230 PolarHBondContact O-N 2.99Å; L230-K232 VanDerWaalsContact C-N 3.26Å; L230-K232 PolarHBondContact O-N 3.05Å; L230-C233 PolarHBondContact O-N 3.26Å; L230-C234 WeakPolarHBondContact O-CA 3.38Å; L230-C234 PolarHBondContact O-N 3.29Å; L230-F238 HydrophobicContact CB-CE2 3.77Å; L230-F238 HydrophobicContact CB-CZ 3.74Å; L230-F238 WeakPolarHBondContact O-CE2 3.13Å; L230-V253 HydrophobicContact CD1-CG1 3.84Å; L230-A256 HydrophobicContact CB-CB 4.13Å; L230-A256 HydrophobicContact CD1-CB 4.27Å; L230-A256 HydrophobicContact CD2-CB 4.3Å; L230-A256 HydrophobicContact CG-CB 4.49Å; L230-L257 HydrophobicContact CD1-CD2 4.1Å; L230-L257 HydrophobicContact CD1-CG 4.14Å; L230-L257 HydrophobicContact CD2-CD2 4.07Å; L230-I260 HydrophobicContact CD2-CD1 4.08Å; L230-I260 HydrophobicContact CD2-CG2 4.45Å
231A91.2Very high89.5Confident31 Ų3163 Ų6326%0.25634%0.337SS..Hα-helixtrans-65.6-31.4174.100000112.2H228 F229 P235 F238 F248H228-A231 PolarHBondContact O-N 2.65Å; F229-A231 VanDerWaalsContact C-N 3.28Å; F229-A231 PolarHBondContact O-N 2.75Å; A231-P235 VanDerWaalsContact O-CA 3.29Å; A231-P235 WeakPolarHBondContact O-CA 3.37Å; A231-P235 WeakPolarHBondContact O-CB 3.33Å; A231-F238 HydrophobicContact CB-CD2 4.11Å; A231-F238 HydrophobicContact CB-CG 4.4Å; A231-F248 HydrophobicContact CB-CE1 3.85Å; A231-F248 HydrophobicContact CB-CZ 3.84Å
232K89.9Confident87.9Confident183 Ų18369.2 Ų69.280%0.79636%0.356SS*.Hα-helixtrans-75.5-40173.5-59.9179.9-179177.50111.4F229 L230F229-K232 WeakPolarHBondContact O-CB 3.27Å; F229-K232 PolarHBondContact O-N 3.04Å; L230-K232 VanDerWaalsContact C-N 3.26Å; L230-K232 PolarHBondContact O-N 3.05Å
233C91.7Very high86.1Confident17 Ų1772 Ų7212%0.11537%0.371CS..Hα-helixtrans-77.3-32.7-176.8-59.20000113.8F229 L230 I260 K264 H268F229-C233 PolarHBondContact O-N 3.26Å; F229-C233 PolarHBondContact O-SG 3.03Å; L230-C233 PolarHBondContact O-N 3.26Å; C233-I260 HydrophobicContact CB-CD1 3.86Å; C233-I260 HydrophobicContact CB-CG1 4.48Å; C233-K264 HydrophobicContact CB-CD 4.49Å; C233-H268 VanDerWaalsContact SG-CD2 3.58Å
234C91.9Very high84.6Confident9 Ų977.7 Ų77.76%0.06140%0.395CS..  trans-141.463.3-172.4-570000111.3L230 D236 C237 F238 A256L230-C234 WeakPolarHBondContact O-CA 3.38Å; L230-C234 PolarHBondContact O-N 3.29Å; C234-D236 PolarHBondContact O-N 3.12Å; C234-C237 WeakPolarHBondContact O-CB 3.16Å; C234-C237 PolarHBondContact O-N 3.28Å; C234-F238 WeakPolarHBondContact O-CD2 3.07Å; C234-A256 HydrophobicContact CB-CB 4.01Å
235P90.3Very high83.3Confident87 Ų8783 Ų8357%0.56542%0.42SS*.G310 helixtrans-62.9-27-172.225.1-35000113.6A231 C237 F238A231-P235 VanDerWaalsContact O-CA 3.29Å; A231-P235 WeakPolarHBondContact O-CA 3.37Å; A231-P235 WeakPolarHBondContact O-CB 3.33Å; P235-C237 PolarHBondContact O-N 3.04Å; P235-F238 PolarHBondContact O-N 3.38Å
236D90.8Very high82.6Confident78 Ų7882 Ų8242%0.41741%0.413SS..G310 helixtrans-64.6-21.3179.564.5-48.8000113.6C234 R239 K259C234-D236 PolarHBondContact O-N 3.12Å; D236-R239 PolarHBondContact O-NE 3.38Å; D236-K259 IonicContact OD1-NZ 2.72Å; D236-K259 IonicContact OD2-NZ 2.78Å; D236-K259 PolarHBondContact OD2-NZ 2.89Å
237C88.9Confident81.9Confident22 Ų2283.6 Ų83.615%0.14942%0.424CS..G310 helixtrans-80-20.6177.1-68.10000114.1C234 P235 A256 K259C234-C237 WeakPolarHBondContact O-CB 3.16Å; C234-C237 PolarHBondContact O-N 3.28Å; P235-C237 PolarHBondContact O-N 3.04Å; C237-A256 HydrophobicContact CB-CB 4.21Å; C237-K259 PolarHBondContact SG-NZ 2.84Å; C237-K259 VanDerWaalsContact SG-NZ 3.35Å
238F88.5Confident81.6Confident16 Ų1685.4 Ų85.47%0.0743%0.431CS..  trans-114.453.3-168.5-60.9-80.4000112.5L230 A231 C234 P235 V247 F248 A252 V253 A256L230-F238 HydrophobicContact CB-CE2 3.77Å; L230-F238 HydrophobicContact CB-CZ 3.74Å; L230-F238 WeakPolarHBondContact O-CE2 3.13Å; A231-F238 HydrophobicContact CB-CD2 4.11Å; A231-F238 HydrophobicContact CB-CG 4.4Å; C234-F238 WeakPolarHBondContact O-CD2 3.07Å; P235-F238 PolarHBondContact O-N 3.38Å; F238-V247 HydrophobicContact CB-CB 4.43Å; F238-V247 HydrophobicContact CB-CG2 4.47Å; F238-F248 AromaticContact CD1-CD1 3.68Å; F238-F248 HydrophobicContact CD1-CD1 3.68Å; F238-F248 AromaticContact CD1-CE1 3.95Å; F238-F248 HydrophobicContact CD1-CE1 3.95Å; F238-F248 HydrophobicContact CD1-CG 4.5Å; F238-F248 AromaticContact CE1-CD1 3.45Å; F238-F248 HydrophobicContact CE1-CD1 3.45Å; F238-F248 VanDerWaalsContact CE1-CD1 3.45Å; F238-F248 AromaticContact CE1-CE1 3.91Å; F238-F248 HydrophobicContact CE1-CE1 3.91Å; F238-F248 HydrophobicContact CE1-CG 4.46Å; F238-F248 HydrophobicContact CG-CE1 4.43Å; F238-F248 HydrophobicContact CZ-CD1 4.19Å; F238-F248 HydrophobicContact CZ-CE1 4.34Å; F238-A252 HydrophobicContact CD1-CB 3.9Å; F238-A252 HydrophobicContact CE1-CB 3.84Å; F238-V253 HydrophobicContact CE1-CG2 4.02Å; F238-V253 HydrophobicContact CZ-CG2 4.39Å; F238-A256 HydrophobicContact CE2-CB 3.65Å; F238-A256 HydrophobicContact CZ-CB 3.69Å
239R80.6Confident81.4Confident188 Ų18883.1 Ų83.171%0.70942%0.424SS*.  trans-77133179.7-61.6-175.6-171.4-166.8-1.8111.4D236 T241D236-R239 PolarHBondContact O-NE 3.38Å; R239-T241 PolarHBondContact O-N 3.06Å
240P75.2Confident81.3Confident114 Ų11485.8 Ų85.874%0.7443%0.433SS*.  trans-57.8136.4171.9-20.931.3000110.9
241T68.8Low81.2Confident81 Ų8191.6 Ų91.650%0.49746%0.462SS..  trans-118.1144.1171.736.10000108.8R239 N243 K244R239-T241 PolarHBondContact O-N 3.06Å; T241-N243 PolarHBondContact O-N 3.43Å; T241-K244 PolarHBondContact O-N 3.45Å; T241-K244 WeakPolarHBondContact OG1-CD 3.2Å; T241-K244 WeakPolarHBondContact OG1-CG 3.32Å
242K57.8Low81.2Confident216 Ų21690.6 Ų90.694%0.93945%0.454SS*.THydrogen-bonded Turntrans-57.8-11.7-167-77.1-172.1174.1-175.90115.8
243N57.2Low81.5Confident160 Ų16081.9 Ų81.986%0.85642%0.416SS*.THydrogen-bonded Turntrans-133.817.1-172.8-63.2-11.8000114.5T241T241-N243 PolarHBondContact O-N 3.43Å
244K61.5Low81.6Confident125 Ų12582.7 Ų82.754%0.54342%0.42SS..  trans-112.6130.7-179.5-68.7-167.3-177.4178.60112.1T241 S246 T249T241-K244 PolarHBondContact O-N 3.45Å; T241-K244 WeakPolarHBondContact OG1-CD 3.2Å; T241-K244 WeakPolarHBondContact OG1-CG 3.32Å; K244-S246 VanDerWaalsContact C-N 3.32Å; K244-S246 PolarHBondContact O-N 3.26Å; K244-T249 HydrophobicContact CD-CG2 3.77Å
245Q61.7Low81.7Confident213 Ų21387.3 Ų87.3100%0.99544%0.439SS*.SBendtrans-67.8-29.1177.4-69.6177.5-9.800112.9
246S76.6Confident81.9Confident48 Ų4883.2 Ų83.234%0.33641%0.412SS..  trans-132.7142.6176.2179.70000111.9K244 F248K244-S246 VanDerWaalsContact C-N 3.32Å; K244-S246 PolarHBondContact O-N 3.26Å; S246-F248 VanDerWaalsContact C-N 3.32Å; S246-F248 PolarHBondContact OG-N 2.96Å
247V80.8Confident82.2Confident54 Ų5479.8 Ų79.833%0.32739%0.394SS..SBendtrans-77.5-19.8173-65.70000112.3F238 T249F238-V247 HydrophobicContact CB-CB 4.43Å; F238-V247 HydrophobicContact CB-CG2 4.47Å; V247-T249 PolarHBondContact O-N 3.34Å
248F87.4Confident82.4Confident38 Ų3885.1 Ų85.117%0.16742%0.417CS..  trans-84.355.1-177-62.5-74000112.6A153 C227 H228 A231 F238 S246 V253A153-F248 WeakPolarHBondContact CB-O 3.48Å; C227-F248 HydrophobicContact CB-CB 4.22Å; C227-F248 HydrophobicContact CB-CD1 3.48Å; C227-F248 VanDerWaalsContact CB-CD1 3.48Å; C227-F248 HydrophobicContact CB-CE1 4Å; C227-F248 HydrophobicContact CB-CG 3.93Å; C227-F248 VanDerWaalsContact O-CE1 3.28Å; C227-F248 WeakPolarHBondContact O-CE1 3.39Å; H228-F248 AromaticContact CD2-CE2 3.53Å; H228-F248 AromaticContact CD2-CZ 3.69Å; A231-F248 HydrophobicContact CB-CE1 3.85Å; A231-F248 HydrophobicContact CB-CZ 3.84Å; F238-F248 AromaticContact CD1-CD1 3.68Å; F238-F248 HydrophobicContact CD1-CD1 3.68Å; F238-F248 AromaticContact CD1-CE1 3.95Å; F238-F248 HydrophobicContact CD1-CE1 3.95Å; F238-F248 HydrophobicContact CD1-CG 4.5Å; F238-F248 AromaticContact CE1-CD1 3.45Å; F238-F248 HydrophobicContact CE1-CD1 3.45Å; F238-F248 VanDerWaalsContact CE1-CD1 3.45Å; F238-F248 AromaticContact CE1-CE1 3.91Å; F238-F248 HydrophobicContact CE1-CE1 3.91Å; F238-F248 HydrophobicContact CE1-CG 4.46Å; F238-F248 HydrophobicContact CG-CE1 4.43Å; F238-F248 HydrophobicContact CZ-CD1 4.19Å; F238-F248 HydrophobicContact CZ-CE1 4.34Å; S246-F248 VanDerWaalsContact C-N 3.32Å; S246-F248 PolarHBondContact OG-N 2.96Å; F248-V253 HydrophobicContact CB-CG2 4.48Å
249T90.5Very high82.7Confident43 Ų4390 Ų9026%0.26444%0.438SS..  trans-67.4148.9172.168.50000110.7K244 V247 M251 A252 V253K244-T249 HydrophobicContact CD-CG2 3.77Å; V247-T249 PolarHBondContact O-N 3.34Å; T249-M251 PolarHBondContact O-N 3.44Å; T249-M251 VanDerWaalsContact O-N 3.13Å; T249-A252 WeakPolarHBondContact O-CB 3.44Å; T249-A252 PolarHBondContact O-N 3.28Å; T249-A252 WeakPolarHBondContact OG1-CB 3.41Å; T249-A252 PolarHBondContact OG1-N 2.82Å; T249-V253 PolarHBondContact O-N 3.27Å
250R91.3Very high83.4Confident78 Ų7881.6 Ų81.629%0.29441%0.407SS..Hα-helixtrans-50.4-41.8177-169-179.5-179.2-83.3-2.8112.6A153 V253 V254A153-R250 HydrophobicContact CB-CB 4.36Å; R250-V253 PolarHBondContact O-N 3.44Å; R250-V254 VanDerWaalsContact O-CG2 3.29Å; R250-V254 WeakPolarHBondContact O-CG2 3.36Å; R250-V254 PolarHBondContact O-N 2.75Å
251M91.7Very high84.4Confident123 Ų12379.6 Ų79.661%0.60640%0.396SS*.Hα-helixtrans-63.7-41.1177.5-173.862.97000112.7T249 K255T249-M251 PolarHBondContact O-N 3.44Å; T249-M251 VanDerWaalsContact O-N 3.13Å; M251-K255 WeakPolarHBondContact O-CG 3.34Å; M251-K255 PolarHBondContact O-N 2.91Å; M251-K255 VanDerWaalsContact O-N 3.13Å
252A92.6Very high85.6Confident10 Ų1078.6 Ų78.68%0.08339%0.387CS..Hα-helixtrans-66.1-41.7176.700000111.6F238 T249 K255 A256F238-A252 HydrophobicContact CD1-CB 3.9Å; F238-A252 HydrophobicContact CE1-CB 3.84Å; T249-A252 WeakPolarHBondContact O-CB 3.44Å; T249-A252 PolarHBondContact O-N 3.28Å; T249-A252 WeakPolarHBondContact OG1-CB 3.41Å; T249-A252 PolarHBondContact OG1-N 2.82Å; A252-K255 PolarHBondContact O-N 2.86Å; A252-A256 PolarHBondContact O-N 2.85Å
253V95Very high87.4Confident0 Ų070.2 Ų70.20%036%0.363CS..Hα-helixtrans-63.5-46.4176.8173.70000111.4A153 C156 V157 C227 L230 F238 F248 T249 R250 K255 A256 L257A153-V253 HydrophobicContact CB-CG2 3.98Å; C156-V253 HydrophobicContact CB-CG1 3.85Å; V157-V253 HydrophobicContact CG2-CG1 3.89Å; C227-V253 HydrophobicContact CB-CG2 4.2Å; L230-V253 HydrophobicContact CD1-CG1 3.84Å; F238-V253 HydrophobicContact CE1-CG2 4.02Å; F238-V253 HydrophobicContact CZ-CG2 4.39Å; F248-V253 HydrophobicContact CB-CG2 4.48Å; T249-V253 PolarHBondContact O-N 3.27Å; R250-V253 PolarHBondContact O-N 3.44Å; V253-K255 PolarHBondContact O-N 2.78Å; V253-A256 PolarHBondContact O-N 3.01Å; V253-A256 VanDerWaalsContact O-N 3.16Å; V253-L257 HydrophobicContact CG1-CD1 3.88Å; V253-L257 HydrophobicContact CG1-CG 4.37Å; V253-L257 WeakPolarHBondContact O-CG 3.41Å; V253-L257 PolarHBondContact O-N 3.37Å
254V93.6Very high89.2Confident33 Ų3366.5 Ų66.520%0.234%0.339CS..Hα-helixtrans-57.7-47.9176.4169.80000111.1C156 R250 A256 L257 E258C156-V254 HydrophobicContact CB-CG2 4.34Å; R250-V254 VanDerWaalsContact O-CG2 3.29Å; R250-V254 WeakPolarHBondContact O-CG2 3.36Å; R250-V254 PolarHBondContact O-N 2.75Å; V254-A256 VanDerWaalsContact C-N 3.29Å; V254-A256 PolarHBondContact O-N 2.85Å; V254-L257 PolarHBondContact O-N 2.94Å; V254-L257 VanDerWaalsContact O-N 3.14Å; V254-E258 WeakPolarHBondContact CG1-OE1 3.23Å; V254-E258 WeakPolarHBondContact O-CG 3.26Å; V254-E258 PolarHBondContact O-N 3.39Å
255K94.3Very high90.9Very high107 Ų10760.5 Ų60.547%0.46531%0.313SS..Hα-helixtrans-60.7-35.8176.6-73.7179.2179.6-173.60113.3M251 A252 V253 K259M251-K255 WeakPolarHBondContact O-CG 3.34Å; M251-K255 PolarHBondContact O-N 2.91Å; M251-K255 VanDerWaalsContact O-N 3.13Å; A252-K255 PolarHBondContact O-N 2.86Å; V253-K255 PolarHBondContact O-N 2.78Å; K255-K259 WeakPolarHBondContact O-CG 3.28Å; K255-K259 PolarHBondContact O-N 3.21Å
256A95.8Very high92.6Very high0 Ų054.4 Ų54.40%029%0.287CS..Hα-helixtrans-69.8-40.3175.600000111.7L230 C234 C237 F238 A252 V253 V254 E258 K259 I260L230-A256 HydrophobicContact CB-CB 4.13Å; L230-A256 HydrophobicContact CD1-CB 4.27Å; L230-A256 HydrophobicContact CD2-CB 4.3Å; L230-A256 HydrophobicContact CG-CB 4.49Å; C234-A256 HydrophobicContact CB-CB 4.01Å; C237-A256 HydrophobicContact CB-CB 4.21Å; F238-A256 HydrophobicContact CE2-CB 3.65Å; F238-A256 HydrophobicContact CZ-CB 3.69Å; A252-A256 PolarHBondContact O-N 2.85Å; V253-A256 PolarHBondContact O-N 3.01Å; V253-A256 VanDerWaalsContact O-N 3.16Å; V254-A256 VanDerWaalsContact C-N 3.29Å; V254-A256 PolarHBondContact O-N 2.85Å; A256-E258 VanDerWaalsContact C-N 3.27Å; A256-E258 PolarHBondContact O-N 3.31Å; A256-K259 PolarHBondContact O-N 2.78Å; A256-K259 VanDerWaalsContact O-N 3.1Å; A256-I260 PolarHBondContact O-N 2.87Å
257L95.4Very high93.5Very high6 Ų659.4 Ų59.43%0.03131%0.305CS..Hα-helixtrans-67.4-24.4176.8-68.8169.1000113.5C156 H160 L230 V253 V254 I260 F265C156-L257 HydrophobicContact CB-CD1 3.79Å; C156-L257 VanDerWaalsContact O-CD1 3.3Å; C156-L257 WeakPolarHBondContact O-CD1 3.32Å; H160-L257 HydrophobicContact CB-CD1 4.21Å; H160-L257 HydrophobicContact CB-CD2 4.1Å; L230-L257 HydrophobicContact CD1-CD2 4.1Å; L230-L257 HydrophobicContact CD1-CG 4.14Å; L230-L257 HydrophobicContact CD2-CD2 4.07Å; V253-L257 HydrophobicContact CG1-CD1 3.88Å; V253-L257 HydrophobicContact CG1-CG 4.37Å; V253-L257 WeakPolarHBondContact O-CG 3.41Å; V253-L257 PolarHBondContact O-N 3.37Å; V254-L257 PolarHBondContact O-N 2.94Å; V254-L257 VanDerWaalsContact O-N 3.14Å; L257-I260 HydrophobicContact CD2-CG2 4.5Å; L257-F265 HydrophobicContact CD2-CD2 3.92Å; L257-F265 HydrophobicContact CD2-CE2 3.64Å
258E94.1Very high94.2Very high134 Ų13461.7 Ų61.763%0.62631%0.311SS*.Hα-helixtrans-75.3-24.8171.7-72.1165.1-177.100112.7V254 A256V254-E258 WeakPolarHBondContact CG1-OE1 3.23Å; V254-E258 WeakPolarHBondContact O-CG 3.26Å; V254-E258 PolarHBondContact O-N 3.39Å; A256-E258 VanDerWaalsContact C-N 3.27Å; A256-E258 PolarHBondContact O-N 3.31Å
259K94.5Very high94.7Very high118 Ų11860.4 Ų60.451%0.51331%0.306SS..Hα-helixtrans-94.4-32.8-177.2-72.9179.1-179.9174.30113.9D236 C237 K255 A256D236-K259 IonicContact OD1-NZ 2.72Å; D236-K259 IonicContact OD2-NZ 2.78Å; D236-K259 PolarHBondContact OD2-NZ 2.89Å; C237-K259 PolarHBondContact SG-NZ 2.84Å; C237-K259 VanDerWaalsContact SG-NZ 3.35Å; K255-K259 WeakPolarHBondContact O-CG 3.28Å; K255-K259 PolarHBondContact O-N 3.21Å; A256-K259 PolarHBondContact O-N 2.78Å; A256-K259 VanDerWaalsContact O-N 3.1Å
260I95.6Very high95Very high13 Ų1361 Ų617%0.06731%0.31CS..SBendtrans-71.4138.1-178.7-164.2171.4000110.3F229 L230 C233 A256 L257 K264 F265F229-I260 HydrophobicContact CD2-CD1 4.45Å; F229-I260 HydrophobicContact CE2-CD1 3.84Å; L230-I260 HydrophobicContact CD2-CD1 4.08Å; L230-I260 HydrophobicContact CD2-CG2 4.45Å; C233-I260 HydrophobicContact CB-CD1 3.86Å; C233-I260 HydrophobicContact CB-CG1 4.48Å; A256-I260 PolarHBondContact O-N 2.87Å; L257-I260 HydrophobicContact CD2-CG2 4.5Å; I260-K264 HydrophobicContact CD1-CB 4.45Å; I260-K264 HydrophobicContact CD1-CG 4.23Å; I260-K264 HydrophobicContact CG1-CB 4.03Å; I260-K264 HydrophobicContact CG1-CD 4.23Å; I260-K264 HydrophobicContact CG1-CG 4.14Å; I260-F265 HydrophobicContact CD1-CB 4.15Å; I260-F265 HydrophobicContact CG1-CB 4.43Å; I260-F265 HydrophobicContact CG2-CB 4.38Å; I260-F265 HydrophobicContact CG2-CD2 4.37Å
261S96.1Very high95.2Very high72 Ų7259.5 Ų59.550%0.50331%0.311SS..  trans-75.6150.4173.763.80000111.1G263 K264 F265S261-G263 VanDerWaalsContact C-N 3.25Å; S261-G263 PolarHBondContact O-N 3Å; S261-K264 PolarHBondContact O-N 2.77Å; S261-K264 VanDerWaalsContact O-N 3.17Å; S261-K264 WeakPolarHBondContact OG-CB 3.23Å; S261-K264 PolarHBondContact OG-N 3.45Å; S261-F265 PolarHBondContact O-N 3.5Å
262D94.8Very high95.3Very high59 Ų5955.8 Ų55.832%0.31630%0.296SS..Hα-helixtrans-50.5-45.4177-66.7-2.5000112L164 K167 F265 L266L164-D262 HydrophobicContact CD2-CB 4.17Å; L164-D262 WeakPolarHBondContact CD2-OD1 3.16Å; K167-D262 IonicContact NZ-OD1 3.49Å; K167-D262 PolarHBondContact NZ-OD1 3.23Å; K167-D262 IonicContact NZ-OD2 2.64Å; K167-D262 PolarHBondContact NZ-OD2 2.76Å; D262-F265 PolarHBondContact O-N 3.02Å; D262-L266 VanDerWaalsContact O-CG 3.22Å; D262-L266 WeakPolarHBondContact O-CG 3.12Å; D262-L266 PolarHBondContact O-N 3.11Å
263G95.4Very high95.4Very high41 Ų4155.6 Ų55.642%0.42329%0.294SS..Hα-helixtrans-61.6-48.2-179.700000112.7S261 F265 L266 E267S261-G263 VanDerWaalsContact C-N 3.25Å; S261-G263 PolarHBondContact O-N 3Å; G263-F265 VanDerWaalsContact C-N 3.29Å; G263-F265 PolarHBondContact O-N 3.02Å; G263-L266 PolarHBondContact O-N 3.48Å; G263-E267 WeakPolarHBondContact O-CG 3.43Å; G263-E267 PolarHBondContact O-N 2.87Å; G263-E267 VanDerWaalsContact O-N 3.07Å
264K95.5Very high95.4Very high81 Ų8158.7 Ų58.735%0.35232%0.316SS..Hα-helixtrans-66.1-32.8178.7-171175.2-176.6-178.90112.1C233 I260 S261 H268C233-K264 HydrophobicContact CB-CD 4.49Å; I260-K264 HydrophobicContact CD1-CB 4.45Å; I260-K264 HydrophobicContact CD1-CG 4.23Å; I260-K264 HydrophobicContact CG1-CB 4.03Å; I260-K264 HydrophobicContact CG1-CD 4.23Å; I260-K264 HydrophobicContact CG1-CG 4.14Å; S261-K264 PolarHBondContact O-N 2.77Å; S261-K264 VanDerWaalsContact O-N 3.17Å; S261-K264 WeakPolarHBondContact OG-CB 3.23Å; S261-K264 PolarHBondContact OG-N 3.45Å; K264-H268 PolarHBondContact O-CD2 3.19Å
265F97.1Very high95.3Very high0 Ų062.8 Ų62.80%033%0.333CS..Hα-helixtrans-63.9-48.4172.7179.6-83.3000111.1V157 H160 L164 F229 L257 I260 S261 D262 G263 E267 H268 Y269V157-F265 HydrophobicContact CG1-CE2 3.96Å; V157-F265 HydrophobicContact CG1-CZ 4.03Å; H160-F265 HydrophobicContact CB-CE2 4.43Å; H160-F265 HydrophobicContact CB-CZ 4.44Å; H160-F265 AromaticContact CD2-CD1 4Å; H160-F265 AromaticContact CD2-CD2 3.54Å; H160-F265 AromaticContact CD2-CE1 3.97Å; H160-F265 AromaticContact CD2-CE2 3.5Å; H160-F265 VanDerWaalsContact CD2-CE2 3.5Å; H160-F265 WeakPolarHBondContact CD2-CE2 3.37Å; H160-F265 AromaticContact CD2-CG 3.8Å; H160-F265 AromaticContact CD2-CZ 3.73Å; L164-F265 HydrophobicContact CD1-CB 4.47Å; L164-F265 HydrophobicContact CD1-CD1 3.49Å; L164-F265 VanDerWaalsContact CD1-CD1 3.49Å; L164-F265 HydrophobicContact CD1-CE1 4.01Å; L164-F265 HydrophobicContact CD1-CG 4.16Å; F229-F265 HydrophobicContact CE2-CD2 4.09Å; F229-F265 HydrophobicContact CE2-CE2 4.46Å; F229-F265 AromaticContact CZ-CD2 3.76Å; F229-F265 HydrophobicContact CZ-CD2 3.76Å; F229-F265 AromaticContact CZ-CE2 3.67Å; F229-F265 HydrophobicContact CZ-CE2 3.67Å; L257-F265 HydrophobicContact CD2-CD2 3.92Å; L257-F265 HydrophobicContact CD2-CE2 3.64Å; I260-F265 HydrophobicContact CD1-CB 4.15Å; I260-F265 HydrophobicContact CG1-CB 4.43Å; I260-F265 HydrophobicContact CG2-CB 4.38Å; I260-F265 HydrophobicContact CG2-CD2 4.37Å; S261-F265 PolarHBondContact O-N 3.5Å; D262-F265 PolarHBondContact O-N 3.02Å; G263-F265 VanDerWaalsContact C-N 3.29Å; G263-F265 PolarHBondContact O-N 3.02Å; F265-E267 VanDerWaalsContact C-N 3.27Å; F265-E267 PolarHBondContact O-N 3.46Å; F265-H268 PolarHBondContact O-N 3.18Å; F265-Y269 AromaticContact CE1-CD1 3.95Å; F265-Y269 HydrophobicContact CE1-CD1 3.95Å; F265-Y269 HydrophobicContact CE1-CG 4.31Å; F265-Y269 AromaticContact CZ-CD1 3.68Å; F265-Y269 HydrophobicContact CZ-CD1 3.68Å; F265-Y269 AromaticContact CZ-CG 3.94Å; F265-Y269 HydrophobicContact CZ-CG 3.94Å; F265-Y269 PolarHBondContact O-N 3.12Å
266L96.2Very high95.2Very high85 Ų8558.7 Ų58.745%0.44532%0.317SS..Hα-helixtrans-67.6-23.8-177.6-66.9169.7000113.5L164 D262 G263 H268 C271L164-L266 HydrophobicContact CD1-CD2 3.97Å; L164-L266 HydrophobicContact CD1-CG 4.07Å; D262-L266 VanDerWaalsContact O-CG 3.22Å; D262-L266 WeakPolarHBondContact O-CG 3.12Å; D262-L266 PolarHBondContact O-N 3.11Å; G263-L266 PolarHBondContact O-N 3.48Å; L266-H268 VanDerWaalsContact C-N 3.29Å; L266-C271 HydrophobicContact CD2-CB 3.34Å
267E96.3Very high94.9Very high153 Ų15363.3 Ų63.372%0.71535%0.349SS*.Hα-helixtrans-68-27.5170.6-74.6170.6-169.900113.1G263 F265G263-E267 WeakPolarHBondContact O-CG 3.43Å; G263-E267 PolarHBondContact O-N 2.87Å; G263-E267 VanDerWaalsContact O-N 3.07Å; F265-E267 VanDerWaalsContact C-N 3.27Å; F265-E267 PolarHBondContact O-N 3.46Å
268H95.9Very high94.9Very high101 Ų10164.1 Ų64.147%0.46836%0.359SS..Hα-helixtrans-112.6-18-170.5-72.3-57.1000114.6F229 C233 K264 F265 L266F229-H268 HydrophobicContact CB-CB 4.12Å; F229-H268 HydrophobicContact CD2-CB 3.44Å; F229-H268 VanDerWaalsContact CD2-CB 3.44Å; F229-H268 HydrophobicContact CE2-CB 4Å; F229-H268 HydrophobicContact CG-CB 3.87Å; C233-H268 VanDerWaalsContact SG-CD2 3.58Å; K264-H268 PolarHBondContact O-CD2 3.19Å; F265-H268 PolarHBondContact O-N 3.18Å; L266-H268 VanDerWaalsContact C-N 3.29Å
269Y96.9Very high94.9Very high12 Ų1259.8 Ų59.85%0.04734%0.344CS..SBendtrans-137.7135.7-175.8-163.9-90.4000112.2V157 R158 D226 F229 F265 P273V157-Y269 HydrophobicContact CG1-CD1 4.03Å; V157-Y269 HydrophobicContact CG1-CD2 3.63Å; V157-Y269 HydrophobicContact CG1-CE1 3.98Å; V157-Y269 HydrophobicContact CG1-CE2 3.59Å; V157-Y269 HydrophobicContact CG1-CG 3.86Å; R158-Y269 WeakPolarHBondContact CG-OH 3.4Å; D226-Y269 HydrophobicContact CB-CE2 3.71Å; D226-Y269 PolarHBondContact OD2-OH 3.02Å; F229-Y269 HydrophobicContact CD1-CD2 4.34Å; F229-Y269 AromaticContact CE1-CD2 3.76Å; F229-Y269 HydrophobicContact CE1-CD2 3.76Å; F229-Y269 HydrophobicContact CE1-CG 4.14Å; F229-Y269 HydrophobicContact CZ-CG 4.46Å; F265-Y269 AromaticContact CE1-CD1 3.95Å; F265-Y269 HydrophobicContact CE1-CD1 3.95Å; F265-Y269 HydrophobicContact CE1-CG 4.31Å; F265-Y269 AromaticContact CZ-CD1 3.68Å; F265-Y269 HydrophobicContact CZ-CD1 3.68Å; F265-Y269 AromaticContact CZ-CG 3.94Å; F265-Y269 HydrophobicContact CZ-CG 3.94Å; F265-Y269 PolarHBondContact O-N 3.12Å; Y269-P273 HydrophobicContact CE1-CB 4.3Å
270P96.1Very high95.1Very high55 Ų5554.4 Ų54.436%0.35732%0.321SS..  trans-63.1143.8-177.825.7-35000112.6S161 P272 S274S161-P270 PolarHBondContact OG-O 3.19Å; P270-P272 CarbonylContact C-O 3.59Å; P270-P272 VanDerWaalsContact C-O 3.24Å; P270-P272 CarbonylContact O-C 3.52Å; P270-S274 WeakPolarHBondContact CG-OG 3.49Å
271C95.7Very high95.1Very high47 Ų4757.5 Ų57.532%0.31834%0.34SS..SBendtrans-136.9107.3178.6-177.30000110.4S161 H165 L266S161-C271 PolarHBondContact O-SG 2.86Å; S161-C271 WeakPolarHBondContact OG-CA 3.45Å; H165-C271 PolarHBondContact N-SG 2.95Å; L266-C271 HydrophobicContact CD2-CB 3.34Å
272P94.8Very high94.9Very high45 Ų4555.8 Ų55.829%0.29233%0.327SS..SBendcis-70.8168.36.532.2-34.7000113A18 H165 P270A18-P272 HydrophobicContact CB-CB 3.7Å; A18-P272 HydrophobicContact CB-CG 3.91Å; H165-P272 HydrophobicContact CB-CB 4.44Å; P270-P272 CarbonylContact C-O 3.59Å; P270-P272 VanDerWaalsContact C-O 3.24Å; P270-P272 CarbonylContact O-C 3.52Å
273P95.2Very high94.9Very high5 Ų556.5 Ų56.53%0.03233%0.329CS..PPolyproline II helixtrans-58145.7176.8-18.428.4000112.1V113 R158 S161 C162 Y269V113-P273 HydrophobicContact CB-CB 4.27Å; V113-P273 HydrophobicContact CG2-CB 4.4Å; V113-P273 HydrophobicContact CG2-CG 4.4Å; R158-P273 HydrophobicContact CB-CB 4.4Å; R158-P273 HydrophobicContact CB-CG 4.24Å; R158-P273 HydrophobicContact CG-CB 4.2Å; R158-P273 VanDerWaalsContact O-CG 3.28Å; R158-P273 WeakPolarHBondContact O-CG 3.09Å; S161-P273 VanDerWaalsContact OG-CD 3.31Å; S161-P273 WeakPolarHBondContact OG-CD 3.49Å; C162-P273 HydrophobicContact CB-CG 4.32Å; Y269-P273 HydrophobicContact CE1-CB 4.3Å
274S93.5Very high94.8Very high66 Ų6660.6 Ų60.646%0.46234%0.341SS..PPolyproline II helixtrans-64.5147.6176.7-56.40000112.5R158 P270R158-S274 PolarHBondContact NH1-O 2.75Å; P270-S274 WeakPolarHBondContact CG-OG 3.49Å
275E92.8Very high94.8Very high118 Ų11857.4 Ų57.455%0.55133%0.328SS*.PPolyproline II helixtrans-57.3128172.8-68.1-172170.300110.2K106 V113K106-E275 IonicContact NZ-OE1 3.98Å; K106-E275 PolarHBondContact NZ-OE1 3.33Å; K106-E275 IonicContact NZ-OE2 2.61Å; K106-E275 PolarHBondContact NZ-OE2 3.08Å; V113-E275 HydrophobicContact CG1-CG 4.26Å
276P92.5Very high94.8Very high22 Ų2262.2 Ų62.214%0.14335%0.35CS..PPolyproline II helixtrans-80.2155.5178.434.1-35.7000111.4V111 L116 G278V111-P276 HydrophobicContact CB-CG 3.85Å; V111-P276 HydrophobicContact CG1-CG 3.68Å; L116-P276 HydrophobicContact CD2-CB 3.72Å; L116-P276 HydrophobicContact CD2-CG 3.73Å; P276-G278 VanDerWaalsContact C-N 3.34Å
277S89.7Confident94.8Very high97 Ų9758.6 Ų58.668%0.67833%0.332SS*.SBendtrans-69.5-27.7174.335.20000113.6D222D222-S277 WeakPolarHBondContact CB-OG 3.39Å; D222-S277 PolarHBondContact OD2-OG 3.39Å
278G93.4Very high94.9Very high22 Ų2255.1 Ų55.123%0.22732%0.318CS..SBendtrans-162.7-180-176.400000112.9V111 H220 P276V111-G278 WeakPolarHBondContact CG1-O 3.38Å; H220-G278 PolarHBondContact NE2-O 2.86Å; P276-G278 VanDerWaalsContact C-N 3.34Å
279S95.8Very high95Very high44 Ų4450.9 Ų50.931%0.30830%0.298SS..PPolyproline II helixtrans-85.7161.6175.4-69.40000111.7V111V111-S279 WeakPolarHBondContact CG2-OG 3.33Å
280C97Very high94.9Very high5 Ų554.2 Ų54.23%0.03432%0.32CS..PPolyproline II helixtrans-53.8147.4167.7-770000111.1L116 I118 L122 F218 T219L116-C280 VanDerWaalsContact CB-SG 3.59Å; L116-C280 WeakPolarHBondContact O-CB 3.19Å; L116-C280 PolarHBondContact O-N 3.13Å; L116-C280 PolarHBondContact O-SG 2.86Å; I118-C280 HydrophobicContact CD1-CB 4.36Å; I118-C280 HydrophobicContact CG1-CB 3.93Å; L122-C280 HydrophobicContact CD1-CB 3.71Å; L122-C280 VanDerWaalsContact CD1-O 3.24Å; L122-C280 WeakPolarHBondContact CD1-O 3.09Å; F218-C280 HydrophobicContact CB-CB 4.23Å; F218-C280 HydrophobicContact CD1-CB 4.18Å; T219-C280 WeakPolarHBondContact O-CA 3.45Å
281T95.6Very high95Very high77 Ų7753.2 Ų53.247%0.47231%0.314SS..EExtended strand (participates in β ladder)trans-97.7121.2171.5-54.20000108.9F218 T219F218-T281 WeakPolarHBondContact CA-O 3.39Å; T219-T281 PolarHBondContact N-O 3.23Å; T219-T281 PolarHBondContact O-N 2.62Å
282P93.5Very high95.1Very high36 Ų3651.7 Ų51.723%0.23430%0.303CS..EExtended strand (participates in β ladder)trans-69.4131.2169.727.4-30.4000109.7L122 V216 F218L122-P282 HydrophobicContact CD2-CG 4.25Å; V216-P282 HydrophobicContact CG2-CB 4.34Å; F218-P282 HydrophobicContact CD1-CB 4.01Å; F218-P282 HydrophobicContact CE1-CB 3.7Å
283Q94.3Very high95.2Very high74 Ų7450.3 Ų50.335%0.34629%0.292SS..  trans-81.2-177.2169.5-58.8-59.9-42.200110.4E217 T219E217-Q283 HydrophobicContact CB-CB 4Å; E217-Q283 HydrophobicContact CB-CG 4.2Å; E217-Q283 HydrophobicContact CG-CB 4.38Å; E217-Q283 HydrophobicContact CG-CG 4.03Å; E217-Q283 WeakPolarHBondContact O-CB 3.49Å; E217-Q283 PolarHBondContact O-N 3.33Å; T219-Q283 HydrophobicContact CG2-CG 3.92Å; T219-Q283 PolarHBondContact OG1-NE2 3.42Å
284D92.5Very high95.3Very high128 Ų12850 Ų5068%0.68429%0.291SS*.PPolyproline II helixtrans-60.7143.2176.9-68.9-29.8000112Q286D284-Q286 PolarHBondContact O-N 3.17Å
285I96Very high95.5Very high14 Ų1446.9 Ų46.97%0.07227%0.269CS..PPolyproline II helixtrans-75.8123.8176.3-68.5142.8000108K130 M131 T134 V214 G215K130-I285 HydrophobicContact CB-CD1 4.01Å; K130-I285 HydrophobicContact CD-CD1 3.74Å; K130-I285 HydrophobicContact CG-CD1 3.54Å; K130-I285 WeakPolarHBondContact O-CD1 3.39Å; M131-I285 HydrophobicContact CB-CD1 4.39Å; M131-I285 HydrophobicContact CG-CD1 3.83Å; M131-I285 HydrophobicContact CG-CG1 3.95Å; M131-I285 HydrophobicContact CG-CG2 4.38Å; T134-I285 HydrophobicContact CG2-CB 4.02Å; T134-I285 HydrophobicContact CG2-CG2 4.01Å; V214-I285 HydrophobicContact CG1-CG2 3.87Å; G215-I285 WeakPolarHBondContact O-CA 3.05Å
286Q96.3Very high95.7Very high100 Ų10041.3 Ų41.347%0.46724%0.243SC..EExtended strand (participates in β ladder)trans-98.6129.1-179.6-66.1177.20.500109.3V214 G215 D284V214-Q286 CarbonylContact C-O 3.52Å; V214-Q286 WeakPolarHBondContact CA-O 3.29Å; G215-Q286 PolarHBondContact N-O 3.35Å; G215-Q286 PolarHBondContact O-N 3.1Å; D284-Q286 PolarHBondContact O-N 3.17Å
287C97.6Very high96Very high10 Ų1041.2 Ų41.27%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-112.5123.4170.9-61.90000107.4Q138 Y140 F212 E213Q138-C287 HydrophobicContact CG-CB 4.47Å; Y140-C287 HydrophobicContact CD2-CB 4.13Å; Y140-C287 HydrophobicContact CE2-CB 3.65Å; Y140-C287 PolarHBondContact OH-O 3.36Å; F212-C287 HydrophobicContact CE2-CB 3.92Å; F212-C287 HydrophobicContact CZ-CB 3.88Å; E213-C287 WeakPolarHBondContact O-CA 3.5Å
288L97.3Very high96.4Very high79 Ų7936.6 Ų36.641%0.41421%0.207SC..EExtended strand (participates in β ladder)trans-133.9132.7-178-66.5173.2000110.2E213 N366E213-L288 PolarHBondContact N-O 2.87Å; E213-L288 PolarHBondContact O-N 3.13Å; L288-N366 WeakPolarHBondContact CA-OD1 3.09Å
289H97.9Very high96.6Very high13 Ų1335.7 Ų35.76%0.0620%0.197CC..EExtended strand (participates in β ladder)trans-104.5136.2169.7-165.2-68000109.9Y140 P211 F212 N366 P367 S370Y140-H289 HydrophobicContact CD1-CB 4.03Å; Y140-H289 HydrophobicContact CE1-CB 4.03Å; P211-H289 CarbonylContact O-C 3.58Å; P211-H289 WeakPolarHBondContact O-CA 3.21Å; F212-H289 HydrophobicContact CD2-CB 4.35Å; H289-N366 PolarHBondContact N-OD1 3.08Å; H289-N366 WeakPolarHBondContact O-CA 3.34Å; H289-P367 WeakPolarHBondContact CB-O 3.43Å; H289-S370 WeakPolarHBondContact CE1-CB 3.24Å; H289-S370 PolarHBondContact CE1-OG 3.14Å; H289-S370 WeakPolarHBondContact NE2-CB 3.34Å; H289-S370 PolarHBondContact NE2-OG 3.24Å; H289-S370 VanDerWaalsContact NE2-OG 3.11Å
290V96.6Very high96.8Very high82 Ų8233.6 Ų33.650%0.49718%0.183SC..  trans-58.3148.3174.6-61.70000110.9P211P211-V290 HydrophobicContact CB-CG2 3.39Å; P211-V290 WeakPolarHBondContact O-CG1 3.41Å; P211-V290 PolarHBondContact O-N 3.15Å
291S97.4Very high96.8Very high33 Ų3337.1 Ų37.123%0.23120%0.197CC..  trans-58144.8-178.4-45.70000112.8E363 L364S291-E363 WeakPolarHBondContact CB-OE1 3.18Å; S291-E363 PolarHBondContact OG-OE1 3.01Å; S291-L364 WeakPolarHBondContact CA-O 3.48Å; S291-L364 VanDerWaalsContact CB-O 3.3Å; S291-L364 WeakPolarHBondContact CB-O 3.28Å
292V97.1Very high96.9Very high15 Ų1534.6 Ų34.69%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-109.6141.2170.3174.40000108.9I294 F334 L364 P367 I398V292-I294 HydrophobicContact CG1-CD1 4.14Å; V292-F334 HydrophobicContact CG1-CD1 4.39Å; V292-F334 HydrophobicContact CG1-CE1 3.88Å; V292-L364 PolarHBondContact N-O 3.35Å; V292-L364 WeakPolarHBondContact O-CB 3.45Å; V292-L364 PolarHBondContact O-N 2.94Å; V292-P367 HydrophobicContact CB-CG 4.16Å; V292-P367 HydrophobicContact CG2-CG 3.68Å; V292-I398 HydrophobicContact CG1-CG2 4Å
293F97.2Very high97.1Very high16 Ų1635.9 Ų35.97%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-110129.5-178-60.6-96.5000110.4M362 E363 I398 V399 R401 M404F293-M362 CarbonylContact C-O 3.58Å; F293-M362 WeakPolarHBondContact CA-O 3.3Å; F293-E363 HydrophobicContact CD1-CB 3.88Å; F293-E363 HydrophobicContact CD1-CG 4.17Å; F293-E363 HydrophobicContact CE1-CB 3.54Å; F293-E363 HydrophobicContact CE1-CG 3.48Å; F293-E363 VanDerWaalsContact CE1-CG 3.48Å; F293-E363 HydrophobicContact CZ-CB 4.27Å; F293-E363 HydrophobicContact CZ-CG 3.69Å; F293-I398 CarbonylContact O-C 3.57Å; F293-I398 WeakPolarHBondContact O-CA 3.48Å; F293-V399 HydrophobicContact CB-CG2 3.73Å; F293-V399 WeakPolarHBondContact CB-O 3.43Å; F293-V399 PolarHBondContact O-N 2.72Å; F293-R401 HydrophobicContact CD2-CB 4.25Å; F293-R401 HydrophobicContact CE1-CB 4.41Å; F293-R401 HydrophobicContact CE1-CG 4.31Å; F293-R401 HydrophobicContact CE2-CB 3.77Å; F293-R401 HydrophobicContact CE2-CG 4.33Å; F293-R401 HydrophobicContact CZ-CB 3.87Å; F293-R401 HydrophobicContact CZ-CG 3.92Å; F293-R401 VanDerWaalsContact CZ-CZ 3.47Å; F293-M404 HydrophobicContact CD1-CG 4.05Å; F293-M404 HydrophobicContact CD1-SD 4.28Å
294I97.7Very high97.2Very high0 Ų036.1 Ų36.10%019%0.192CC..EExtended strand (participates in β ladder)trans-112.8135.9174.9-50.5-58.1000108.3V292 I330 F334 A361 M362 L364 M377 L396 Q397 I398V292-I294 HydrophobicContact CG1-CD1 4.14Å; I294-I330 HydrophobicContact CG1-CG2 4.13Å; I294-I330 HydrophobicContact CG2-CD1 4.32Å; I294-F334 HydrophobicContact CD1-CE1 3.84Å; I294-F334 HydrophobicContact CD1-CE2 3.88Å; I294-F334 HydrophobicContact CD1-CZ 3.32Å; I294-F334 HydrophobicContact CG1-CE2 4.31Å; I294-F334 HydrophobicContact CG1-CZ 4.19Å; I294-A361 CarbonylContact O-C 3.59Å; I294-A361 WeakPolarHBondContact O-CA 3.44Å; I294-A361 VanDerWaalsContact O-CB 3.27Å; I294-A361 WeakPolarHBondContact O-CB 3.41Å; I294-M362 PolarHBondContact N-O 3.5Å; I294-M362 PolarHBondContact O-N 2.94Å; I294-L364 HydrophobicContact CD1-CD1 4.3Å; I294-L364 HydrophobicContact CG1-CD1 3.72Å; I294-L364 HydrophobicContact CG1-CG 4.24Å; I294-M377 HydrophobicContact CD1-CE 4.29Å; I294-M377 HydrophobicContact CG2-CE 4.15Å; I294-L396 HydrophobicContact CG2-CD1 3.62Å; I294-L396 HydrophobicContact CG2-CG 4.04Å; I294-Q397 CarbonylContact C-O 3.59Å; I294-Q397 WeakPolarHBondContact CA-O 3.06Å; I294-I398 HydrophobicContact CD1-CB 4.35Å; I294-I398 HydrophobicContact CD1-CG1 3.56Å
295A97.4Very high97.4Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-127.4158.1173.500000110.8F360 A361 L396 Q397 V399 W527 P528A295-F360 WeakPolarHBondContact CA-O 3.42Å; A295-A361 HydrophobicContact CB-CB 3.85Å; A295-L396 CarbonylContact O-C 3.55Å; A295-L396 WeakPolarHBondContact O-CA 3.31Å; A295-Q397 PolarHBondContact N-O 3.33Å; A295-Q397 PolarHBondContact O-N 2.87Å; A295-V399 HydrophobicContact CB-CB 4.41Å; A295-V399 HydrophobicContact CB-CG1 3.65Å; A295-V399 HydrophobicContact CB-CG2 3.84Å; A295-W527 HydrophobicContact CB-CH2 3.69Å; A295-W527 HydrophobicContact CB-CZ2 3.99Å; A295-W527 HydrophobicContact CB-CZ3 4.33Å; A295-P528 HydrophobicContact CB-CB 3.99Å; A295-P528 HydrophobicContact CB-CG 4.17Å
296G97.5Very high97.5Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-172.2-164.4172.600000110.7P359 F360 R394G296-P359 WeakPolarHBondContact O-CA 3.46Å; G296-F360 VanDerWaalsContact C-CD1 3.43Å; G296-F360 PolarHBondContact N-O 3.11Å; G296-F360 WeakPolarHBondContact O-CD1 3.39Å; G296-F360 PolarHBondContact O-N 2.73Å; G296-R394 WeakPolarHBondContact CA-O 3.43Å
297R97.7Very high97.6Very high20 Ų2025 Ų258%0.07514%0.136CC..EExtended strand (participates in β ladder)trans-125.6141.8168.7-69.1172.9142.480.87110.3N356 R358 P359 V393 R394 V525 W527 P528R297-N356 WeakPolarHBondContact CB-O 3.4Å; R297-N356 VanDerWaalsContact CD-O 3.3Å; R297-N356 WeakPolarHBondContact CD-O 3.41Å; R297-R358 CarbonylContact C-O 3.58Å; R297-R358 VanDerWaalsContact CA-O 3.22Å; R297-R358 WeakPolarHBondContact CA-O 3.38Å; R297-P359 HydrophobicContact CG-CG 4.46Å; R297-V393 CarbonylContact O-C 3.55Å; R297-V393 VanDerWaalsContact O-CA 3.22Å; R297-V393 WeakPolarHBondContact O-CA 3.45Å; R297-R394 HydrophobicContact CB-CG 3.78Å; R297-R394 PolarHBondContact N-O 3.11Å; R297-R394 PolarHBondContact O-N 2.99Å; R297-V525 PolarHBondContact NH2-O 3.37Å; R297-W527 PolarHBondContact NH1-O 3.01Å; R297-W527 PolarHBondContact NH2-O 3.25Å; R297-P528 PolarHBondContact NH1-O 2.96Å
298Y98.4Very high97.6Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-113.2139.8174.776.2-96.7000111.7K300 Q307 V322 I326 E347 G357 R358 F360 R392Y298-K300 HydrophobicContact CD2-CB 4.29Å; Y298-K300 HydrophobicContact CE2-CB 4.16Å; Y298-Q307 PolarHBondContact OH-NE2 2.78Å; Y298-V322 HydrophobicContact CD1-CG1 4.05Å; Y298-V322 HydrophobicContact CD2-CG1 3.55Å; Y298-V322 HydrophobicContact CE1-CG1 4.21Å; Y298-V322 HydrophobicContact CE2-CG1 3.76Å; Y298-V322 HydrophobicContact CE2-CG2 4.3Å; Y298-V322 HydrophobicContact CG-CG1 3.72Å; Y298-I326 HydrophobicContact CD1-CD1 4.34Å; Y298-I326 HydrophobicContact CG-CD1 4.18Å; Y298-E347 VanDerWaalsContact CE2-OE1 3.27Å; Y298-E347 WeakPolarHBondContact CE2-OE1 3.37Å; Y298-E347 PolarHBondContact OH-OE1 3.04Å; Y298-E347 PolarHBondContact OH-OE2 3.25Å; Y298-G357 CarbonylContact O-C 3.46Å; Y298-G357 WeakPolarHBondContact O-CA 3.43Å; Y298-R358 HydrophobicContact CD1-CB 4.28Å; Y298-R358 WeakPolarHBondContact CD1-O 3.38Å; Y298-R358 HydrophobicContact CE1-CB 3.79Å; Y298-R358 HydrophobicContact CE1-CG 4.04Å; Y298-R358 HydrophobicContact CE2-CB 4.39Å; Y298-R358 PolarHBondContact N-O 3.43Å; Y298-R358 PolarHBondContact O-N 3.06Å; Y298-R358 VanDerWaalsContact OH-CD 3.29Å; Y298-R358 WeakPolarHBondContact OH-CD 3.49Å; Y298-R358 PolarHBondContact OH-NE 2.77Å; Y298-F360 HydrophobicContact CD1-CB 4.09Å; Y298-F360 AromaticContact CD1-CD1 3.98Å; Y298-F360 HydrophobicContact CD1-CD1 3.98Å; Y298-F360 HydrophobicContact CD1-CG 4.36Å; Y298-F360 HydrophobicContact CE1-CB 4.47Å; Y298-R392 CarbonylContact C-O 3.55Å; Y298-R392 VanDerWaalsContact CA-O 3.25Å; Y298-R392 WeakPolarHBondContact CA-O 3.29Å
299N98.7Very high97.5Very high4 Ų424.6 Ų24.62%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-93.3152.6154.4-64.1115.5000110.1F301 T353 L354 G355 I391 R392 R394N299-F301 HydrophobicContact CB-CE1 3.82Å; N299-F301 HydrophobicContact CB-CE2 3.79Å; N299-F301 HydrophobicContact CB-CZ 3.35Å; N299-T353 CarbonylContact C-O 3.56Å; N299-T353 WeakPolarHBondContact CA-O 3.16Å; N299-T353 VanDerWaalsContact CB-O 3.25Å; N299-T353 WeakPolarHBondContact CB-O 3.3Å; N299-T353 PolarHBondContact ND2-O 3.47Å; N299-T353 VanDerWaalsContact ND2-O 3.13Å; N299-L354 WeakPolarHBondContact ND2-CA 3.26Å; N299-L354 PolarHBondContact ND2-O 2.96Å; N299-G355 PolarHBondContact ND2-O 3.41Å; N299-I391 WeakPolarHBondContact O-CA 3.47Å; N299-I391 VanDerWaalsContact O-CB 3.29Å; N299-I391 WeakPolarHBondContact O-CB 3.46Å; N299-R392 PolarHBondContact N-O 2.86Å; N299-R392 PolarHBondContact O-N 3.28Å; N299-R392 VanDerWaalsContact O-N 3.15Å; N299-R394 PolarHBondContact OD1-NH1 3Å; N299-R394 PolarHBondContact OD1-NH2 2.81Å
300K98.6Very high97.3Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-130.1118.6173.3174.9-170.4164.2-164.70107.8Y298 C302 L305 V322 E347 D348 V349 V351 R352 T353Y298-K300 HydrophobicContact CD2-CB 4.29Å; Y298-K300 HydrophobicContact CE2-CB 4.16Å; K300-C302 WeakPolarHBondContact CE-O 3.48Å; K300-L305 WeakPolarHBondContact CE-O 3.29Å; K300-L305 PolarHBondContact NZ-O 2.94Å; K300-V322 HydrophobicContact CB-CG2 4.38Å; K300-V322 HydrophobicContact CD-CG2 3.98Å; K300-V322 HydrophobicContact CG-CG2 4.16Å; K300-E347 HydrophobicContact CD-CG 4.26Å; K300-D348 PolarHBondContact NZ-O 2.8Å; K300-V349 PolarHBondContact NZ-O 3.46Å; K300-V351 WeakPolarHBondContact CD-O 3.3Å; K300-V351 WeakPolarHBondContact CE-O 3.26Å; K300-V351 PolarHBondContact NZ-O 3.31Å; K300-R352 CarbonylContact O-C 3.43Å; K300-R352 VanDerWaalsContact O-CA 3.29Å; K300-R352 WeakPolarHBondContact O-CA 3.23Å; K300-R352 VanDerWaalsContact O-CB 3.25Å; K300-R352 WeakPolarHBondContact O-CB 3.49Å; K300-T353 PolarHBondContact N-O 3.47Å; K300-T353 PolarHBondContact O-N 3.33Å
301F98.3Very high97Very high78 Ų7828.6 Ų28.634%0.34215%0.152SC..  trans-102.2-17.2-176.6-54-68.1000112.9N299 R352 L354 K390 R392N299-F301 HydrophobicContact CB-CE1 3.82Å; N299-F301 HydrophobicContact CB-CE2 3.79Å; N299-F301 HydrophobicContact CB-CZ 3.35Å; F301-R352 VanDerWaalsContact O-CD 3.3Å; F301-R352 WeakPolarHBondContact O-CD 3.09Å; F301-L354 HydrophobicContact CD1-CD2 3.88Å; F301-L354 HydrophobicContact CE1-CD2 4.09Å; F301-K390 PolarHBondContact N-O 3.29Å; F301-R392 HydrophobicContact CE2-CB 3.87Å; F301-R392 HydrophobicContact CE2-CG 3.78Å; F301-R392 HydrophobicContact CZ-CB 4.31Å; F301-R392 HydrophobicContact CZ-CG 4.4Å
302C96.6Very high96.5Very high24 Ų2430.1 Ų30.116%0.16216%0.156CC..  trans-92.8133.4-176.4-177.20000112.7K300 S304 L305 K390K300-C302 WeakPolarHBondContact CE-O 3.48Å; C302-S304 PolarHBondContact SG-N 2.9Å; C302-S304 VanDerWaalsContact SG-N 3.37Å; C302-S304 PolarHBondContact SG-OG 2.86Å; C302-L305 HydrophobicContact CB-CB 4.1Å; C302-K390 HydrophobicContact CB-CB 3.98Å; C302-K390 HydrophobicContact CB-CG 4.11Å
303R97.7Very high96Very high64 Ų6436.7 Ų36.724%0.24219%0.191CC..THydrogen-bonded Turntrans-88.98.5175.3-62-166.9-177.9-68.8-2.6114.2V349 D350 R352 E517 L518 D519R303-V349 CarbonylContact C-O 3.54Å; R303-V349 CarbonylContact O-C 3.53Å; R303-D350 WeakPolarHBondContact CD-O 3.35Å; R303-D350 VanDerWaalsContact CG-O 3.3Å; R303-D350 WeakPolarHBondContact CG-O 3.48Å; R303-D350 PolarHBondContact NH1-O 2.92Å; R303-D350 VanDerWaalsContact O-CA 3.23Å; R303-D350 WeakPolarHBondContact O-CA 3.1Å; R303-R352 HydrophobicContact CG-CG 4.02Å; R303-R352 VanDerWaalsContact NH2-CZ 3.33Å; R303-R352 VanDerWaalsContact NH2-NE 3.15Å; R303-E517 IonicContact CZ-OE2 2.94Å; R303-E517 IonicContact NE-OE2 3.55Å; R303-E517 IonicContact NH2-OE2 2.78Å; R303-E517 PolarHBondContact NH2-OE2 3.49Å; R303-L518 PolarHBondContact NH1-O 2.67Å; R303-D519 IonicContact CZ-OD1 3.51Å; R303-D519 IonicContact NH1-OD1 2.75Å; R303-D519 PolarHBondContact NH1-OD1 2.86Å; R303-D519 VanDerWaalsContact NH1-OD1 3.14Å; R303-D519 IonicContact NH2-OD1 3.96Å; R303-D519 PolarHBondContact NH2-OD1 2.93Å; R303-D519 IonicContact NH2-OD2 2.78Å
304S96.4Very high95.7Very high78 Ų7839.2 Ų39.255%0.54522%0.222SC..THydrogen-bonded Turntrans-126.325.7177.957.70000112.5C302C302-S304 PolarHBondContact SG-N 2.9Å; C302-S304 VanDerWaalsContact SG-N 3.37Å; C302-S304 PolarHBondContact SG-OG 2.86Å
305L97.7Very high95.4Very high1 Ų144.8 Ų44.81%0.00525%0.248CC..  trans-120.1119.6-178-173.473.7000110.7K300 C302 V322 L325 K390 I391K300-L305 WeakPolarHBondContact CE-O 3.29Å; K300-L305 PolarHBondContact NZ-O 2.94Å; C302-L305 HydrophobicContact CB-CB 4.1Å; L305-V322 HydrophobicContact CD2-CG2 3.75Å; L305-V322 HydrophobicContact CG-CG2 4.34Å; L305-L325 HydrophobicContact CD1-CD1 4.33Å; L305-L325 HydrophobicContact CD2-CD1 3.82Å; L305-K390 HydrophobicContact CD1-CD 4.35Å; L305-K390 HydrophobicContact CD2-CB 4.1Å; L305-I391 HydrophobicContact CD2-CG2 3.79Å
306P97.7Very high95.2Very high0 Ų050.8 Ų50.80%027%0.27CS..  trans-72.5155.7172.633-36.1000111.1T308 W310 M318 S320 S321 V322 V349P306-T308 WeakPolarHBondContact CB-O 3.26Å; P306-W310 HydrophobicContact CB-CB 4.23Å; P306-W310 HydrophobicContact CG-CB 4.2Å; P306-M318 HydrophobicContact CG-CB 4.21Å; P306-S320 WeakPolarHBondContact CG-O 3.39Å; P306-S321 CarbonylContact O-C 3.58Å; P306-S321 WeakPolarHBondContact O-CA 3.41Å; P306-S321 WeakPolarHBondContact O-CB 3.38Å; P306-V322 PolarHBondContact O-N 2.89Å; P306-V349 HydrophobicContact CB-CG2 4.03Å
307Q97.8Very high94.9Very high7 Ų756.1 Ų56.13%0.03329%0.29CS..SBendtrans-68.8-41.3177.3-176.5-166.755.900112Y298 V322 E323 S343 G345 R346Y298-Q307 PolarHBondContact OH-NE2 2.78Å; Q307-V322 WeakPolarHBondContact O-CB 3.35Å; Q307-V322 PolarHBondContact O-N 3.28Å; Q307-E323 WeakPolarHBondContact O-CB 3.37Å; Q307-E323 PolarHBondContact O-N 3.25Å; Q307-S343 PolarHBondContact NE2-OG 2.82Å; Q307-G345 PolarHBondContact NE2-O 2.97Å; Q307-G345 VanDerWaalsContact NE2-O 3.12Å; Q307-R346 HydrophobicContact CB-CG 4.27Å; Q307-R346 VanDerWaalsContact OE1-CB 3.29Å; Q307-R346 VanDerWaalsContact OE1-CD 3.3Å
308T97.3Very high94.7Very high40 Ų4058 Ų5825%0.24530%0.301CS..SBendtrans-124.2158.9177.465.80000109P306 W310 E323 R346P306-T308 WeakPolarHBondContact CB-O 3.26Å; T308-W310 PolarHBondContact O-N 2.81Å; T308-E323 VanDerWaalsContact CG2-OE2 3.25Å; T308-E323 WeakPolarHBondContact CG2-OE2 3.41Å; T308-R346 PolarHBondContact OG1-NH1 2.77Å
309P96.5Very high94.4Very high41 Ų4165.3 Ų65.327%0.26634%0.335SS..  trans-51125.1-178.3-27.434.2000111.8V311 S321 E323 E324P309-V311 HydrophobicContact CB-CG2 4.49Å; P309-V311 PolarHBondContact O-N 3.02Å; P309-S321 WeakPolarHBondContact CD-OG 3.44Å; P309-E323 WeakPolarHBondContact CD-OE1 3.43Å; P309-E324 HydrophobicContact CG-CG 3.98Å
310W92.4Very high94.3Very high105 Ų10566 Ų6640%0.39834%0.341SS..  trans-9695.5-179.5-167.812.1000110.2P306 T308 I312 R317 M318 V349P306-W310 HydrophobicContact CB-CB 4.23Å; P306-W310 HydrophobicContact CG-CB 4.2Å; T308-W310 PolarHBondContact O-N 2.81Å; W310-I312 HydrophobicContact CZ2-CD1 4.25Å; W310-R317 HydrophobicContact CD2-CB 3.9Å; W310-R317 HydrophobicContact CD2-CG 4.5Å; W310-R317 HydrophobicContact CE3-CB 4.08Å; W310-R317 HydrophobicContact CG-CB 4.1Å; W310-R317 PolarHBondContact O-N 2.8Å; W310-M318 HydrophobicContact CE3-CB 4.46Å; W310-M318 HydrophobicContact CE3-CE 4.17Å; W310-M318 HydrophobicContact CE3-CG 3.83Å; W310-M318 HydrophobicContact CE3-SD 3.63Å; W310-M318 HydrophobicContact CZ3-CE 3.67Å; W310-M318 HydrophobicContact CZ3-CG 4.21Å; W310-M318 HydrophobicContact CZ3-SD 3.77Å; W310-V349 HydrophobicContact CE3-CG2 4.42Å; W310-V349 HydrophobicContact CZ3-CG2 4.43Å
311V90.4Very high94.3Very high75 Ų7566 Ų6646%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-116.8128.2179.8-175.30000108.9P309 G314 E315P309-V311 HydrophobicContact CB-CG2 4.49Å; P309-V311 PolarHBondContact O-N 3.02Å; V311-G314 VanDerWaalsContact CG1-C 3.49Å; V311-E315 WeakPolarHBondContact CA-O 3.41Å
312I87.1Confident94.3Very high65 Ų6562.3 Ų62.333%0.33332%0.324SS..EExtended strand (participates in β ladder)trans-126.3125.6174.8-58.8-179.4000106.8W310 G314 E315 R317W310-I312 HydrophobicContact CZ2-CD1 4.25Å; I312-G314 PolarHBondContact O-N 3.13Å; I312-E315 PolarHBondContact N-O 3.27Å; I312-E315 PolarHBondContact O-N 3.2Å; I312-R317 HydrophobicContact CB-CG 4.11Å; I312-R317 HydrophobicContact CD1-CG 3.87Å; I312-R317 HydrophobicContact CG1-CG 3.84Å
313D87.8Confident94.4Very high152 Ų15262.8 Ų62.881%0.81332%0.324SS*.THydrogen-bonded Turntrans54.136.5-179.4-53.9-38.7000113.6E315D313-E315 PolarHBondContact O-N 3.3Å
314G89.9Confident94.4Very high70 Ų7062 Ų6272%0.72232%0.323SS*.THydrogen-bonded Turntrans79.8-9.8-177.700000114.6V311 I312V311-G314 VanDerWaalsContact CG1-C 3.49Å; I312-G314 PolarHBondContact O-N 3.13Å
315E90.8Very high94.5Very high117 Ų11759.8 Ų59.855%0.54731%0.305SS..EExtended strand (participates in β ladder)trans-93.5128178.6-63.7-174.9161.300111.8V311 I312 D313 R317V311-E315 WeakPolarHBondContact CA-O 3.41Å; I312-E315 PolarHBondContact N-O 3.27Å; I312-E315 PolarHBondContact O-N 3.2Å; D313-E315 PolarHBondContact O-N 3.3Å; E315-R317 PolarHBondContact O-N 3.39Å; E315-R317 IonicContact OE2-CZ 3.6Å; E315-R317 IonicContact OE2-NH1 3.51Å; E315-R317 PolarHBondContact OE2-NH1 2.97Å; E315-R317 IonicContact OE2-NH2 3.6Å
316R93.3Very high94.5Very high126 Ų12659.7 Ų59.748%0.47531%0.305SS..EExtended strand (participates in β ladder)trans-70.4120.6173.4-180171.5-73.9-134.7-10.8109.5M318 E324R316-M318 VanDerWaalsContact CD-O 3.29Å; R316-M318 WeakPolarHBondContact CD-O 3.45Å; R316-M318 WeakPolarHBondContact CG-O 3.17Å; R316-E324 IonicContact CZ-OE1 2.65Å; R316-E324 VanDerWaalsContact CZ-OE1 3.27Å; R316-E324 IonicContact CZ-OE2 3.42Å; R316-E324 IonicContact NH1-OE1 3.14Å; R316-E324 PolarHBondContact NH1-OE1 2.9Å; R316-E324 IonicContact NH1-OE2 2.75Å; R316-E324 PolarHBondContact NH1-OE2 2.85Å; R316-E324 IonicContact NH2-OE1 3.46Å; R316-E324 PolarHBondContact NH2-OE1 3.28Å; R316-E324 IonicContact NH2-OE2 3.53Å
317R92.4Very high94.5Very high111 Ų11159.8 Ų59.842%0.41931%0.305SS..  trans-86.9-27.6-179.1-63.6-59.2-175.2-148.8-9.1113.4W310 I312 E315W310-R317 HydrophobicContact CD2-CB 3.9Å; W310-R317 HydrophobicContact CD2-CG 4.5Å; W310-R317 HydrophobicContact CE3-CB 4.08Å; W310-R317 HydrophobicContact CG-CB 4.1Å; W310-R317 PolarHBondContact O-N 2.8Å; I312-R317 HydrophobicContact CB-CG 4.11Å; I312-R317 HydrophobicContact CD1-CG 3.87Å; I312-R317 HydrophobicContact CG1-CG 3.84Å; E315-R317 PolarHBondContact O-N 3.39Å; E315-R317 IonicContact OE2-CZ 3.6Å; E315-R317 IonicContact OE2-NH1 3.51Å; E315-R317 PolarHBondContact OE2-NH1 2.97Å; E315-R317 IonicContact OE2-NH2 3.6Å
318M92.4Very high94.5Very high61 Ų6162.4 Ų62.430%0.333%0.328SS..SBendtrans-141.3146.6177.4-73.9-175.5170.200110.7P306 W310 R316 V349P306-M318 HydrophobicContact CG-CB 4.21Å; W310-M318 HydrophobicContact CE3-CB 4.46Å; W310-M318 HydrophobicContact CE3-CE 4.17Å; W310-M318 HydrophobicContact CE3-CG 3.83Å; W310-M318 HydrophobicContact CE3-SD 3.63Å; W310-M318 HydrophobicContact CZ3-CE 3.67Å; W310-M318 HydrophobicContact CZ3-CG 4.21Å; W310-M318 HydrophobicContact CZ3-SD 3.77Å; R316-M318 VanDerWaalsContact CD-O 3.29Å; R316-M318 WeakPolarHBondContact CD-O 3.45Å; R316-M318 WeakPolarHBondContact CG-O 3.17Å; M318-V349 HydrophobicContact CE-CG1 3.94Å; M318-V349 HydrophobicContact SD-CB 4.5Å; M318-V349 HydrophobicContact SD-CG1 3.54Å; M318-V349 VanDerWaalsContact SD-CG1 3.54Å; M318-V349 HydrophobicContact SD-CG2 4.2Å
319E93.3Very high94.6Very high152 Ų15261.6 Ų61.671%0.7132%0.324SS*.SBendtrans-71.7129.2177-169.8-168.2174.600110.9
320S95.6Very high94.6Very high20 Ų2059.7 Ų59.714%0.1431%0.311CS..  trans60.5-178.3175.9-159.10000113.8P306 E324P306-S320 WeakPolarHBondContact CG-O 3.39Å; S320-E324 VanDerWaalsContact CA-OE2 3.25Å; S320-E324 WeakPolarHBondContact CA-OE2 3.39Å
321S98.3Very high94.9Very high0 Ų056.5 Ų56.50%030%0.302CS..  trans-156.1166.3173.355.40000110.2P306 P309 E323 E324 L325P306-S321 CarbonylContact O-C 3.58Å; P306-S321 WeakPolarHBondContact O-CA 3.41Å; P306-S321 WeakPolarHBondContact O-CB 3.38Å; P309-S321 WeakPolarHBondContact CD-OG 3.44Å; S321-E323 PolarHBondContact O-N 3.43Å; S321-E324 WeakPolarHBondContact CB-OE2 3.38Å; S321-E324 PolarHBondContact N-OE2 3.07Å; S321-E324 PolarHBondContact O-N 3.21Å; S321-E324 VanDerWaalsContact OG-CG 3.31Å; S321-E324 WeakPolarHBondContact OG-CG 3.41Å; S321-E324 PolarHBondContact OG-N 3.34Å; S321-E324 VanDerWaalsContact OG-N 3.16Å; S321-E324 PolarHBondContact OG-OE2 3.24Å; S321-L325 VanDerWaalsContact O-CG 3.29Å; S321-L325 WeakPolarHBondContact O-CG 3.5Å; S321-L325 PolarHBondContact O-N 3.17Å; S321-L325 VanDerWaalsContact O-N 3.13Å
322V98.5Very high95.3Very high0 Ų057.4 Ų57.40%031%0.311CS..Hα-helixtrans-55.1-45.5170.8174.60000110.2Y298 K300 L305 P306 Q307 L325 I326 I391Y298-V322 HydrophobicContact CD1-CG1 4.05Å; Y298-V322 HydrophobicContact CD2-CG1 3.55Å; Y298-V322 HydrophobicContact CE1-CG1 4.21Å; Y298-V322 HydrophobicContact CE2-CG1 3.76Å; Y298-V322 HydrophobicContact CE2-CG2 4.3Å; Y298-V322 HydrophobicContact CG-CG1 3.72Å; K300-V322 HydrophobicContact CB-CG2 4.38Å; K300-V322 HydrophobicContact CD-CG2 3.98Å; K300-V322 HydrophobicContact CG-CG2 4.16Å; L305-V322 HydrophobicContact CD2-CG2 3.75Å; L305-V322 HydrophobicContact CG-CG2 4.34Å; P306-V322 PolarHBondContact O-N 2.89Å; Q307-V322 WeakPolarHBondContact O-CB 3.35Å; Q307-V322 PolarHBondContact O-N 3.28Å; V322-L325 PolarHBondContact O-N 3.36Å; V322-I326 HydrophobicContact CG1-CD1 3.67Å; V322-I326 HydrophobicContact CG1-CG1 4.48Å; V322-I326 VanDerWaalsContact O-CG1 3.29Å; V322-I326 WeakPolarHBondContact O-CG1 3.5Å; V322-I326 PolarHBondContact O-N 3.37Å; V322-I326 VanDerWaalsContact O-N 3.11Å; V322-I391 HydrophobicContact CB-CG2 4.48Å; V322-I391 HydrophobicContact CG1-CG2 4.34Å; V322-I391 HydrophobicContact CG2-CG2 4.01Å
323E98.4Very high95.8Very high33 Ų3355.6 Ų55.615%0.15431%0.306CS..Hα-helixtrans-52.5-55.1175.8176.3-178.4119.100112.1Q307 T308 P309 S321 L325 I326 A327 F339 F341Q307-E323 WeakPolarHBondContact O-CB 3.37Å; Q307-E323 PolarHBondContact O-N 3.25Å; T308-E323 VanDerWaalsContact CG2-OE2 3.25Å; T308-E323 WeakPolarHBondContact CG2-OE2 3.41Å; P309-E323 WeakPolarHBondContact CD-OE1 3.43Å; S321-E323 PolarHBondContact O-N 3.43Å; E323-L325 PolarHBondContact O-N 2.99Å; E323-I326 PolarHBondContact O-N 2.97Å; E323-A327 WeakPolarHBondContact O-CB 3.42Å; E323-A327 PolarHBondContact O-N 3.22Å; E323-F339 HydrophobicContact CG-CE2 3.63Å; E323-F339 HydrophobicContact CG-CZ 4.07Å; E323-F341 HydrophobicContact CB-CD1 4.16Å; E323-F341 HydrophobicContact CB-CD2 4.43Å; E323-F341 HydrophobicContact CB-CE1 4.47Å; E323-F341 HydrophobicContact CB-CG 4.16Å; E323-F341 HydrophobicContact CG-CB 3.64Å; E323-F341 HydrophobicContact CG-CD1 4.11Å; E323-F341 HydrophobicContact CG-CD2 4.12Å; E323-F341 HydrophobicContact CG-CG 3.71Å
324E98Very high96.3Very high49 Ų4948.4 Ų48.423%0.22927%0.267CS..Hα-helixtrans-64-40-177.2-74165.6113.300112.7P309 R316 S320 S321 I326 A327 A328P309-E324 HydrophobicContact CG-CG 3.98Å; R316-E324 IonicContact CZ-OE1 2.65Å; R316-E324 VanDerWaalsContact CZ-OE1 3.27Å; R316-E324 IonicContact CZ-OE2 3.42Å; R316-E324 IonicContact NH1-OE1 3.14Å; R316-E324 PolarHBondContact NH1-OE1 2.9Å; R316-E324 IonicContact NH1-OE2 2.75Å; R316-E324 PolarHBondContact NH1-OE2 2.85Å; R316-E324 IonicContact NH2-OE1 3.46Å; R316-E324 PolarHBondContact NH2-OE1 3.28Å; R316-E324 IonicContact NH2-OE2 3.53Å; S320-E324 VanDerWaalsContact CA-OE2 3.25Å; S320-E324 WeakPolarHBondContact CA-OE2 3.39Å; S321-E324 WeakPolarHBondContact CB-OE2 3.38Å; S321-E324 PolarHBondContact N-OE2 3.07Å; S321-E324 PolarHBondContact O-N 3.21Å; S321-E324 VanDerWaalsContact OG-CG 3.31Å; S321-E324 WeakPolarHBondContact OG-CG 3.41Å; S321-E324 PolarHBondContact OG-N 3.34Å; S321-E324 VanDerWaalsContact OG-N 3.16Å; S321-E324 PolarHBondContact OG-OE2 3.24Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 3.4Å; E324-A327 PolarHBondContact O-N 3.05Å; E324-A328 WeakPolarHBondContact O-CB 3.24Å; E324-A328 PolarHBondContact O-N 3.45Å
325L98.4Very high96.7Very high30 Ų3048.8 Ų48.816%0.15725%0.247CC..Hα-helixtrans-64.9-34.1179-68.6174.3000112.3L305 S321 V322 E323 K390 I391L305-L325 HydrophobicContact CD1-CD1 4.33Å; L305-L325 HydrophobicContact CD2-CD1 3.82Å; S321-L325 VanDerWaalsContact O-CG 3.29Å; S321-L325 WeakPolarHBondContact O-CG 3.5Å; S321-L325 PolarHBondContact O-N 3.17Å; S321-L325 VanDerWaalsContact O-N 3.13Å; V322-L325 PolarHBondContact O-N 3.36Å; E323-L325 PolarHBondContact O-N 2.99Å; L325-K390 HydrophobicContact CD1-CB 4.17Å; L325-K390 HydrophobicContact CD1-CD 4.48Å; L325-I391 HydrophobicContact CB-CD1 4.25Å; L325-I391 HydrophobicContact CB-CG1 3.86Å; L325-I391 HydrophobicContact CD1-CG1 3.89Å; L325-I391 HydrophobicContact CD1-CG2 4.14Å
326I98.6Very high97Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-78.9-43.6175.5-64.8172000110.5Y298 V322 E323 E324 I330 F341 F360 I391 V393Y298-I326 HydrophobicContact CD1-CD1 4.34Å; Y298-I326 HydrophobicContact CG-CD1 4.18Å; V322-I326 HydrophobicContact CG1-CD1 3.67Å; V322-I326 HydrophobicContact CG1-CG1 4.48Å; V322-I326 VanDerWaalsContact O-CG1 3.29Å; V322-I326 WeakPolarHBondContact O-CG1 3.5Å; V322-I326 PolarHBondContact O-N 3.37Å; V322-I326 VanDerWaalsContact O-N 3.11Å; E323-I326 PolarHBondContact O-N 2.97Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 3.4Å; I326-I330 HydrophobicContact CG2-CD1 3.8Å; I326-I330 WeakPolarHBondContact O-CD1 3.46Å; I326-I330 WeakPolarHBondContact O-CG1 3.21Å; I326-F341 HydrophobicContact CD1-CE2 4.21Å; I326-F341 HydrophobicContact CD1-CZ 4.46Å; I326-F360 HydrophobicContact CD1-CD1 4.29Å; I326-F360 HydrophobicContact CD1-CE1 4.19Å; I326-F360 HydrophobicContact CD1-CZ 4.35Å; I326-F360 HydrophobicContact CG2-CD2 4.35Å; I326-F360 HydrophobicContact CG2-CE2 3.6Å; I326-F360 HydrophobicContact CG2-CZ 3.71Å; I326-I391 HydrophobicContact CG1-CD1 3.98Å; I326-V393 HydrophobicContact CD1-CG1 3.91Å; I326-V393 HydrophobicContact CG1-CG1 3.74Å; I326-V393 HydrophobicContact CG2-CG1 4.4Å
327A98.2Very high97.2Very high2 Ų243.3 Ų43.32%0.01723%0.233CC..Hα-helixtrans-71.7-40-169.300000113.1E323 E324 I330 L331 F339 M362E323-A327 WeakPolarHBondContact O-CB 3.42Å; E323-A327 PolarHBondContact O-N 3.22Å; E324-A327 PolarHBondContact O-N 3.05Å; A327-I330 PolarHBondContact O-N 3.36Å; A327-I330 VanDerWaalsContact O-N 3.12Å; A327-L331 WeakPolarHBondContact O-CG 3.41Å; A327-L331 PolarHBondContact O-N 2.68Å; A327-F339 HydrophobicContact CB-CD1 4.24Å; A327-F339 HydrophobicContact CB-CD2 4.02Å; A327-F339 HydrophobicContact CB-CE1 3.81Å; A327-F339 HydrophobicContact CB-CE2 3.6Å; A327-F339 HydrophobicContact CB-CG 4.32Å; A327-F339 HydrophobicContact CB-CZ 3.47Å; A327-F339 VanDerWaalsContact CB-CZ 3.47Å; A327-M362 HydrophobicContact CB-CE 4.03Å; A327-M362 HydrophobicContact CB-SD 3.64Å
328A97.3Very high97.4Very high61 Ų6138.8 Ų38.850%0.50422%0.221SC..Hα-helixtrans-58.5-47.9-171.200000113.8E324 I330 S332E324-A328 WeakPolarHBondContact O-CB 3.24Å; E324-A328 PolarHBondContact O-N 3.45Å; A328-I330 VanDerWaalsContact C-N 3.34Å; A328-I330 PolarHBondContact O-N 2.75Å; A328-S332 PolarHBondContact O-N 3.45Å
329P98.1Very high97.7Very high24 Ų2438.4 Ų38.416%0.15622%0.218CC..Hα-helixtrans-65.5-35.9175.9-22.835.9000113A333 L380 T383 I384P329-A333 WeakPolarHBondContact O-CB 3.36Å; P329-A333 PolarHBondContact O-N 3.45Å; P329-L380 HydrophobicContact CB-CD1 4.12Å; P329-T383 HydrophobicContact CB-CG2 4.44Å; P329-I384 HydrophobicContact CB-CG1 3.79Å; P329-I384 HydrophobicContact CG-CG1 3.84Å
330I98.3Very high97.9Very high0 Ų035.1 Ų35.10%021%0.206CC..Hα-helixtrans-68.5-47.4-179.5-60.6174.2000110.4I294 I326 A327 A328 S332 A333 F334 M362 L364 L380 I384 L396I294-I330 HydrophobicContact CG1-CG2 4.13Å; I294-I330 HydrophobicContact CG2-CD1 4.32Å; I326-I330 HydrophobicContact CG2-CD1 3.8Å; I326-I330 WeakPolarHBondContact O-CD1 3.46Å; I326-I330 WeakPolarHBondContact O-CG1 3.21Å; A327-I330 PolarHBondContact O-N 3.36Å; A327-I330 VanDerWaalsContact O-N 3.12Å; A328-I330 VanDerWaalsContact C-N 3.34Å; A328-I330 PolarHBondContact O-N 2.75Å; I330-S332 VanDerWaalsContact C-N 3.28Å; I330-S332 PolarHBondContact O-N 3.39Å; I330-A333 PolarHBondContact O-N 3.41Å; I330-F334 HydrophobicContact CG2-CD2 3.77Å; I330-F334 HydrophobicContact CG2-CE2 4.08Å; I330-F334 WeakPolarHBondContact O-CD2 3.41Å; I330-F334 PolarHBondContact O-N 3.3Å; I330-M362 HydrophobicContact CB-CE 3.79Å; I330-M362 HydrophobicContact CD1-CE 3.95Å; I330-M362 HydrophobicContact CD1-SD 4.44Å; I330-M362 HydrophobicContact CG1-CE 4.46Å; I330-M362 HydrophobicContact CG2-CE 3.65Å; I330-L364 HydrophobicContact CG2-CD1 3.85Å; I330-L364 HydrophobicContact CG2-CD2 3.92Å; I330-L364 HydrophobicContact CG2-CG 4.43Å; I330-L380 HydrophobicContact CG1-CD2 4.14Å; I330-L380 HydrophobicContact CG1-CG 4.44Å; I330-I384 HydrophobicContact CD1-CD1 4.03Å; I330-I384 HydrophobicContact CG1-CD1 3.83Å; I330-L396 HydrophobicContact CD1-CD1 4.25Å
331L98Very high97.9Very high39 Ų3935.7 Ų35.720%0.20421%0.205CC..Hα-helixtrans-56.4-44.4176.6-77177.9000111.8A327 R335 A336 F339 L364A327-L331 WeakPolarHBondContact O-CG 3.41Å; A327-L331 PolarHBondContact O-N 2.68Å; L331-R335 WeakPolarHBondContact O-CA 3.46Å; L331-R335 PolarHBondContact O-N 3.27Å; L331-A336 HydrophobicContact CD2-CB 3.91Å; L331-A336 PolarHBondContact O-N 3.36Å; L331-F339 HydrophobicContact CD1-CD1 3.55Å; L331-F339 HydrophobicContact CD1-CE1 3.76Å; L331-F339 HydrophobicContact CD2-CB 4.04Å; L331-F339 HydrophobicContact CD2-CD1 3.86Å; L331-F339 HydrophobicContact CD2-CG 4.32Å; L331-F339 HydrophobicContact CG-CD1 3.96Å; L331-L364 HydrophobicContact CD2-CD2 4.13Å
332S97.7Very high97.8Very high93 Ų9338.3 Ų38.365%0.6522%0.224SC*.Hα-helixtrans-62.8-45.7178-177.90000111.8A328 I330 R335A328-S332 PolarHBondContact O-N 3.45Å; I330-S332 VanDerWaalsContact C-N 3.28Å; I330-S332 PolarHBondContact O-N 3.39Å; S332-R335 PolarHBondContact O-N 3.23Å
333A98.1Very high97.5Very high28 Ų2839 Ų3923%0.23123%0.229CC..Hα-helixtrans-65-47-179.800000112.6P329 I330 R335 F372 L380P329-A333 WeakPolarHBondContact O-CB 3.36Å; P329-A333 PolarHBondContact O-N 3.45Å; I330-A333 PolarHBondContact O-N 3.41Å; A333-R335 VanDerWaalsContact C-N 3.28Å; A333-R335 PolarHBondContact O-N 2.9Å; A333-F372 HydrophobicContact CB-CE1 4.2Å; A333-F372 HydrophobicContact CB-CZ 4.09Å; A333-F372 WeakPolarHBondContact O-CZ 3.26Å; A333-L380 HydrophobicContact CB-CD1 3.96Å; A333-L380 HydrophobicContact CB-CD2 4.16Å
334F98.3Very high97.2Very high0 Ų037.4 Ų37.40%022%0.221CC..Hα-helixtrans-79.7-10.7-179.1-78.9-102.1000113.4V292 I294 I330 A336 L364 P367 H368 R369 F372 M377 L380 I398V292-F334 HydrophobicContact CG1-CD1 4.39Å; V292-F334 HydrophobicContact CG1-CE1 3.88Å; I294-F334 HydrophobicContact CD1-CE1 3.84Å; I294-F334 HydrophobicContact CD1-CE2 3.88Å; I294-F334 HydrophobicContact CD1-CZ 3.32Å; I294-F334 HydrophobicContact CG1-CE2 4.31Å; I294-F334 HydrophobicContact CG1-CZ 4.19Å; I330-F334 HydrophobicContact CG2-CD2 3.77Å; I330-F334 HydrophobicContact CG2-CE2 4.08Å; I330-F334 WeakPolarHBondContact O-CD2 3.41Å; I330-F334 PolarHBondContact O-N 3.3Å; F334-A336 VanDerWaalsContact C-N 3.28Å; F334-A336 HydrophobicContact CB-CB 4.45Å; F334-A336 PolarHBondContact O-N 2.58Å; F334-L364 HydrophobicContact CB-CD1 3.64Å; F334-L364 HydrophobicContact CD1-CD1 3.44Å; F334-L364 VanDerWaalsContact CD1-CD1 3.44Å; F334-L364 HydrophobicContact CD2-CD1 3.7Å; F334-L364 HydrophobicContact CE1-CD1 4.01Å; F334-L364 HydrophobicContact CE2-CD1 4.22Å; F334-L364 HydrophobicContact CG-CD1 3.29Å; F334-L364 HydrophobicContact CZ-CD1 4.37Å; F334-P367 HydrophobicContact CB-CB 4.39Å; F334-H368 PolarHBondContact O-N 3.37Å; F334-R369 WeakPolarHBondContact CD1-O 3.24Å; F334-R369 PolarHBondContact O-N 3.35Å; F334-F372 HydrophobicContact CD1-CD2 4.03Å; F334-F372 AromaticContact CD1-CE2 3.49Å; F334-F372 HydrophobicContact CD1-CE2 3.49Å; F334-F372 VanDerWaalsContact CD1-CE2 3.49Å; F334-F372 HydrophobicContact CD1-CZ 4.42Å; F334-F372 HydrophobicContact CD2-CD2 4.38Å; F334-F372 AromaticContact CD2-CE2 3.68Å; F334-F372 HydrophobicContact CD2-CE2 3.68Å; F334-F372 AromaticContact CD2-CZ 3.9Å; F334-F372 HydrophobicContact CD2-CZ 3.9Å; F334-F372 AromaticContact CE1-CD2 3.37Å; F334-F372 HydrophobicContact CE1-CD2 3.37Å; F334-F372 AromaticContact CE1-CE2 3.33Å; F334-F372 HydrophobicContact CE1-CE2 3.33Å; F334-F372 HydrophobicContact CE1-CG 4.49Å; F334-F372 HydrophobicContact CE1-CZ 4.43Å; F334-F372 AromaticContact CE2-CD2 3.79Å; F334-F372 HydrophobicContact CE2-CD2 3.79Å; F334-F372 HydrophobicContact CE2-CE1 4.48Å; F334-F372 AromaticContact CE2-CE2 3.55Å; F334-F372 HydrophobicContact CE2-CE2 3.55Å; F334-F372 HydrophobicContact CE2-CG 4.37Å; F334-F372 AromaticContact CE2-CZ 3.93Å; F334-F372 HydrophobicContact CE2-CZ 3.93Å; F334-F372 HydrophobicContact CG-CD2 4.48Å; F334-F372 AromaticContact CG-CE2 3.64Å; F334-F372 HydrophobicContact CG-CE2 3.64Å; F334-F372 HydrophobicContact CG-CZ 4.14Å; F334-F372 AromaticContact CZ-CD2 3.22Å; F334-F372 HydrophobicContact CZ-CD2 3.22Å; F334-F372 AromaticContact CZ-CE2 3.35Å; F334-F372 HydrophobicContact CZ-CE2 3.35Å; F334-F372 AromaticContact CZ-CG 3.97Å; F334-F372 HydrophobicContact CZ-CG 3.97Å; F334-F372 HydrophobicContact CZ-CZ 4.19Å; F334-M377 HydrophobicContact CE2-SD 4.32Å; F334-M377 HydrophobicContact CZ-SD 4.06Å; F334-L380 HydrophobicContact CD2-CD2 4.44Å; F334-L380 HydrophobicContact CE2-CD2 3.91Å; F334-I398 HydrophobicContact CE1-CD1 4.33Å; F334-I398 HydrophobicContact CZ-CD1 4.23Å; F334-I398 HydrophobicContact CZ-CG1 4.26Å
335R98Very high96.8Very high79 Ų7935.6 Ų35.630%0.29822%0.215SC..THydrogen-bonded Turntrans51.451-175.6-60.3179.7-73.5152.5-8.3110.4N139 E141 L331 S332 A333 H368N139-R335 PolarHBondContact ND2-NH1 3.12Å; N139-R335 PolarHBondContact O-NH1 3.21Å; E141-R335 IonicContact OE1-NH2 3.27Å; E141-R335 PolarHBondContact OE1-NH2 2.99Å; L331-R335 WeakPolarHBondContact O-CA 3.46Å; L331-R335 PolarHBondContact O-N 3.27Å; S332-R335 PolarHBondContact O-N 3.23Å; A333-R335 VanDerWaalsContact C-N 3.28Å; A333-R335 PolarHBondContact O-N 2.9Å; R335-H368 HydrophobicContact CB-CB 3.78Å; R335-H368 PolarHBondContact NH2-O 2.9Å; R335-H368 PolarHBondContact O-N 3.06Å; R335-H368 PolarHBondContact O-ND1 3.49Å
336A98.1Very high96.6Very high15 Ų1539.8 Ų39.812%0.12423%0.229CC..  trans-95.6145.1-17700000111.1L331 F334 G338 L364 L365 P367L331-A336 HydrophobicContact CD2-CB 3.91Å; L331-A336 PolarHBondContact O-N 3.36Å; F334-A336 VanDerWaalsContact C-N 3.28Å; F334-A336 HydrophobicContact CB-CB 4.45Å; F334-A336 PolarHBondContact O-N 2.58Å; A336-G338 VanDerWaalsContact C-N 3.26Å; A336-G338 PolarHBondContact O-N 3.47Å; A336-L364 HydrophobicContact CB-CB 4.07Å; A336-L364 HydrophobicContact CB-CD2 4.45Å; A336-L365 WeakPolarHBondContact CB-O 3.1Å; A336-P367 HydrophobicContact CB-CB 4.28Å
337D97.2Very high96.5Very high112 Ų11240.2 Ų40.260%0.59923%0.231SC*.SBendtrans-71.9-24-178.3-67.3-12.4000112.5L365 N366 H368D337-L365 PolarHBondContact N-O 3.12Å; D337-N366 HydrophobicContact CB-CB 4.34Å; D337-N366 WeakPolarHBondContact OD2-CB 3.45Å; D337-N366 PolarHBondContact OD2-ND2 2.89Å; D337-H368 IonicContact OD1-CE1 2.84Å
338G97.4Very high96.4Very high17 Ų1742 Ų4218%0.17524%0.24CC..EExtended strand (participates in β ladder)trans-174.2-176-179.500000112.1A336 L365A336-G338 VanDerWaalsContact C-N 3.26Å; A336-G338 PolarHBondContact O-N 3.47Å; G338-L365 PolarHBondContact O-N 3.02Å
339F98Very high96.4Very high52 Ų5240.6 Ų40.623%0.22823%0.225CC..EExtended strand (participates in β ladder)trans-152.8158.2179.769-75.7000112.7E323 A327 L331 F341 M362 E363 L364E323-F339 HydrophobicContact CG-CE2 3.63Å; E323-F339 HydrophobicContact CG-CZ 4.07Å; A327-F339 HydrophobicContact CB-CD1 4.24Å; A327-F339 HydrophobicContact CB-CD2 4.02Å; A327-F339 HydrophobicContact CB-CE1 3.81Å; A327-F339 HydrophobicContact CB-CE2 3.6Å; A327-F339 HydrophobicContact CB-CG 4.32Å; A327-F339 HydrophobicContact CB-CZ 3.47Å; A327-F339 VanDerWaalsContact CB-CZ 3.47Å; L331-F339 HydrophobicContact CD1-CD1 3.55Å; L331-F339 HydrophobicContact CD1-CE1 3.76Å; L331-F339 HydrophobicContact CD2-CB 4.04Å; L331-F339 HydrophobicContact CD2-CD1 3.86Å; L331-F339 HydrophobicContact CD2-CG 4.32Å; L331-F339 HydrophobicContact CG-CD1 3.96Å; F339-F341 HydrophobicContact CD2-CB 4.13Å; F339-F341 HydrophobicContact CE2-CB 3.99Å; F339-M362 HydrophobicContact CB-CE 4.23Å; F339-M362 HydrophobicContact CB-CG 4.21Å; F339-M362 HydrophobicContact CD2-CE 4.39Å; F339-M362 HydrophobicContact CD2-CG 3.73Å; F339-M362 HydrophobicContact CD2-SD 3.8Å; F339-M362 HydrophobicContact CE2-SD 4.35Å; F339-M362 HydrophobicContact CG-CE 4.36Å; F339-M362 HydrophobicContact CG-CG 4.34Å; F339-M362 HydrophobicContact CG-SD 4.36Å; F339-E363 CarbonylContact C-O 3.54Å; F339-E363 WeakPolarHBondContact CA-O 3.47Å; F339-E363 WeakPolarHBondContact CB-O 3.21Å; F339-L364 HydrophobicContact CB-CD2 4.14Å
340N97.1Very high96.4Very high84 Ų8442.9 Ų42.945%0.44924%0.236SC..EExtended strand (participates in β ladder)trans-116.9122.2164.2-57.7-49.5000108.9M362 E363N340-M362 CarbonylContact O-C 3.47Å; N340-M362 VanDerWaalsContact O-CA 3.3Å; N340-M362 WeakPolarHBondContact O-CA 3.46Å; N340-E363 HydrophobicContact CB-CB 4.17Å; N340-E363 PolarHBondContact N-O 2.81Å; N340-E363 PolarHBondContact ND2-OE2 3.31Å; N340-E363 PolarHBondContact O-N 3.23Å
341F96.6Very high96.4Very high31 Ų3143 Ų4314%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-97.8140.2177.3-176.3-89.4000111.5E323 I326 F339 F360 M362E323-F341 HydrophobicContact CB-CD1 4.16Å; E323-F341 HydrophobicContact CB-CD2 4.43Å; E323-F341 HydrophobicContact CB-CE1 4.47Å; E323-F341 HydrophobicContact CB-CG 4.16Å; E323-F341 HydrophobicContact CG-CB 3.64Å; E323-F341 HydrophobicContact CG-CD1 4.11Å; E323-F341 HydrophobicContact CG-CD2 4.12Å; E323-F341 HydrophobicContact CG-CG 3.71Å; I326-F341 HydrophobicContact CD1-CE2 4.21Å; I326-F341 HydrophobicContact CD1-CZ 4.46Å; F339-F341 HydrophobicContact CD2-CB 4.13Å; F339-F341 HydrophobicContact CE2-CB 3.99Å; F341-F360 HydrophobicContact CD2-CD2 4.33Å; F341-F360 HydrophobicContact CE1-CB 4.47Å; F341-F360 HydrophobicContact CE2-CB 3.85Å; F341-F360 AromaticContact CE2-CD2 3.57Å; F341-F360 HydrophobicContact CE2-CD2 3.57Å; F341-F360 HydrophobicContact CE2-CE2 4.42Å; F341-F360 AromaticContact CE2-CG 3.9Å; F341-F360 HydrophobicContact CE2-CG 3.9Å; F341-F360 HydrophobicContact CZ-CB 3.61Å; F341-F360 HydrophobicContact CZ-CD2 4.23Å; F341-F360 HydrophobicContact CZ-CG 4.09Å; F341-M362 HydrophobicContact CB-CG 4.28Å; F341-M362 HydrophobicContact CD2-CG 4.02Å; F341-M362 HydrophobicContact CD2-SD 4.06Å
342S94.6Very high96.4Very high56 Ų5644.7 Ų44.739%0.39224%0.241SC..EExtended strand (participates in β ladder)trans-144.1149.5176.2-175.90000110.1F360 A361 M407S342-F360 CarbonylContact O-C 3.53Å; S342-F360 WeakPolarHBondContact O-CA 3.48Å; S342-A361 PolarHBondContact N-O 3.07Å; S342-A361 PolarHBondContact O-N 3.18Å; S342-M407 VanDerWaalsContact OG-CE 3.26Å; S342-M407 WeakPolarHBondContact OG-CE 3.41Å
343S93.5Very high96.5Very high14 Ų1440.3 Ų40.310%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-139.9158.8178.758.10000111.8Q307 G345 P359 M407Q307-S343 PolarHBondContact NE2-OG 2.82Å; S343-G345 VanDerWaalsContact C-N 3.29Å; S343-G345 PolarHBondContact O-N 2.82Å; S343-G345 PolarHBondContact OG-O 2.85Å; S343-P359 WeakPolarHBondContact CA-O 3.49Å; S343-P359 WeakPolarHBondContact CB-O 3.4Å; S343-M407 VanDerWaalsContact C-SD 3.59Å; S343-M407 VanDerWaalsContact CA-SD 3.6Å
344S92.2Very high96.4Very high0 Ų040.6 Ų40.60%021%0.208CC..SBendtrans-77.182.5173.9-162.60000109.7R358 P359 M407 E411S344-R358 WeakPolarHBondContact O-CD 3.44Å; S344-R358 PolarHBondContact O-NH1 3.39Å; S344-P359 PolarHBondContact N-O 2.87Å; S344-M407 PolarHBondContact OG-O 3Å; S344-E411 PolarHBondContact OG-N 3.1Å
345G89.8Confident96.3Very high10 Ų1042.7 Ų42.710%0.10323%0.229CC..SBendtrans78.9-170.5-173.200000114.4Q307 S343 R358Q307-G345 PolarHBondContact NE2-O 2.97Å; Q307-G345 VanDerWaalsContact NE2-O 3.12Å; S343-G345 VanDerWaalsContact C-N 3.29Å; S343-G345 PolarHBondContact O-N 2.82Å; S343-G345 PolarHBondContact OG-O 2.85Å; G345-R358 WeakPolarHBondContact O-CD 2.96Å
346R93.8Very high96.2Very high118 Ų11844.6 Ų44.645%0.44525%0.245SC..  trans-149.5147.7-173.4173.5173-177.1123.9-6.6112.1Q307 T308Q307-R346 HydrophobicContact CB-CG 4.27Å; Q307-R346 VanDerWaalsContact OE1-CB 3.29Å; Q307-R346 VanDerWaalsContact OE1-CD 3.3Å; T308-R346 PolarHBondContact OG1-NH1 2.77Å
347E95.7Very high96.1Very high9 Ų944 Ų444%0.04224%0.24CC..  trans-106.9158.1167.968.9-76.6171.200112.7Y298 K300 V351 T353 R358 V520Y298-E347 VanDerWaalsContact CE2-OE1 3.27Å; Y298-E347 WeakPolarHBondContact CE2-OE1 3.37Å; Y298-E347 PolarHBondContact OH-OE1 3.04Å; Y298-E347 PolarHBondContact OH-OE2 3.25Å; K300-E347 HydrophobicContact CD-CG 4.26Å; E347-V351 HydrophobicContact CB-CB 3.92Å; E347-V351 HydrophobicContact CB-CG1 3.72Å; E347-V351 HydrophobicContact CG-CB 4.24Å; E347-V351 HydrophobicContact CG-CG1 4.23Å; E347-T353 VanDerWaalsContact CD-OG1 3.3Å; E347-R358 IonicContact OE2-CZ 2.62Å; E347-R358 VanDerWaalsContact OE2-CZ 3.23Å; E347-R358 IonicContact OE2-NE 2.87Å; E347-R358 PolarHBondContact OE2-NE 2.89Å; E347-R358 IonicContact OE2-NH2 3.92Å; E347-R358 PolarHBondContact OE2-NH2 3.38Å; E347-V520 HydrophobicContact CB-CG2 4.34Å
348D96.6Very high96.1Very high40 Ų4039 Ų3921%0.21421%0.213CC..  trans-69.3164.5173.7-70.5-37.2000111.1K300 D350 V351 R451 K491K300-D348 PolarHBondContact NZ-O 2.8Å; D348-D350 VanDerWaalsContact C-N 3.26Å; D348-D350 VanDerWaalsContact CB-OD1 3.26Å; D348-D350 WeakPolarHBondContact CB-OD1 3.5Å; D348-D350 PolarHBondContact O-N 3.4Å; D348-V351 HydrophobicContact CB-CG2 3.9Å; D348-V351 PolarHBondContact O-N 2.92Å; D348-V351 VanDerWaalsContact O-N 3.15Å; D348-R451 IonicContact OD1-CZ 3.28Å; D348-R451 IonicContact OD1-NH1 3.23Å; D348-R451 PolarHBondContact OD1-NH1 3.03Å; D348-R451 IonicContact OD1-NH2 2.93Å; D348-R451 IonicContact OD2-CZ 3.63Å; D348-R451 IonicContact OD2-NH1 3.11Å; D348-R451 PolarHBondContact OD2-NH1 3.47Å; D348-R451 IonicContact OD2-NH2 3.76Å; D348-R451 PolarHBondContact OD2-NH2 2.9Å; D348-K491 IonicContact OD2-NZ 3.98Å; D348-K491 PolarHBondContact OD2-NZ 3.04Å
349V97.3Very high96Very high31 Ų3138.2 Ų38.219%0.18821%0.205CC..THydrogen-bonded Turntrans-56.1-41.1-178.2175.40000112.2K300 R303 P306 W310 M318 V351K300-V349 PolarHBondContact NZ-O 3.46Å; R303-V349 CarbonylContact C-O 3.54Å; R303-V349 CarbonylContact O-C 3.53Å; P306-V349 HydrophobicContact CB-CG2 4.03Å; W310-V349 HydrophobicContact CE3-CG2 4.42Å; W310-V349 HydrophobicContact CZ3-CG2 4.43Å; M318-V349 HydrophobicContact CE-CG1 3.94Å; M318-V349 HydrophobicContact SD-CB 4.5Å; M318-V349 HydrophobicContact SD-CG1 3.54Å; M318-V349 VanDerWaalsContact SD-CG1 3.54Å; M318-V349 HydrophobicContact SD-CG2 4.2Å; V349-V351 VanDerWaalsContact C-N 3.3Å; V349-V351 PolarHBondContact O-N 2.86Å
350D97.8Very high95.9Very high72 Ų7235.7 Ų35.739%0.38519%0.194SC..THydrogen-bonded Turntrans-83.20.5-177.160.5-14.6000114.7R303 D348 K491R303-D350 WeakPolarHBondContact CD-O 3.35Å; R303-D350 VanDerWaalsContact CG-O 3.3Å; R303-D350 WeakPolarHBondContact CG-O 3.48Å; R303-D350 PolarHBondContact NH1-O 2.92Å; R303-D350 VanDerWaalsContact O-CA 3.23Å; R303-D350 WeakPolarHBondContact O-CA 3.1Å; D348-D350 VanDerWaalsContact C-N 3.26Å; D348-D350 VanDerWaalsContact CB-OD1 3.26Å; D348-D350 WeakPolarHBondContact CB-OD1 3.5Å; D348-D350 PolarHBondContact O-N 3.4Å; D350-K491 IonicContact OD1-NZ 2.79Å; D350-K491 PolarHBondContact OD1-NZ 3.21Å; D350-K491 IonicContact OD2-NZ 2.85Å; D350-K491 PolarHBondContact OD2-NZ 3.32Å
351V98.5Very high95.9Very high4 Ų431.7 Ų31.72%0.02417%0.173CC..  trans-101.5130.5-177.6176.80000110.4K300 E347 D348 V349 L518 V520K300-V351 WeakPolarHBondContact CD-O 3.3Å; K300-V351 WeakPolarHBondContact CE-O 3.26Å; K300-V351 PolarHBondContact NZ-O 3.31Å; E347-V351 HydrophobicContact CB-CB 3.92Å; E347-V351 HydrophobicContact CB-CG1 3.72Å; E347-V351 HydrophobicContact CG-CB 4.24Å; E347-V351 HydrophobicContact CG-CG1 4.23Å; D348-V351 HydrophobicContact CB-CG2 3.9Å; D348-V351 PolarHBondContact O-N 2.92Å; D348-V351 VanDerWaalsContact O-N 3.15Å; V349-V351 VanDerWaalsContact C-N 3.3Å; V349-V351 PolarHBondContact O-N 2.86Å; V351-L518 WeakPolarHBondContact CA-O 3.45Å; V351-L518 HydrophobicContact CG1-CG 4.23Å; V351-L518 WeakPolarHBondContact CG1-O 3.22Å; V351-L518 HydrophobicContact CG2-CB 4.08Å; V351-L518 HydrophobicContact CG2-CD2 3.9Å; V351-L518 HydrophobicContact CG2-CG 4.14Å; V351-V520 HydrophobicContact CG1-CG2 3.86Å
352R98.7Very high95.9Very high73 Ų7330.2 Ų30.228%0.27517%0.166SC..EExtended strand (participates in β ladder)trans-84.1160.3171.3-58.4-177.5-65.8-165.7-3.8110.6K300 F301 R303 L354 E517 L518 D519 V520K300-R352 CarbonylContact O-C 3.43Å; K300-R352 VanDerWaalsContact O-CA 3.29Å; K300-R352 WeakPolarHBondContact O-CA 3.23Å; K300-R352 VanDerWaalsContact O-CB 3.25Å; K300-R352 WeakPolarHBondContact O-CB 3.49Å; F301-R352 VanDerWaalsContact O-CD 3.3Å; F301-R352 WeakPolarHBondContact O-CD 3.09Å; R303-R352 HydrophobicContact CG-CG 4.02Å; R303-R352 VanDerWaalsContact NH2-CZ 3.33Å; R303-R352 VanDerWaalsContact NH2-NE 3.15Å; R352-L354 HydrophobicContact CB-CD2 4.04Å; R352-L354 HydrophobicContact CB-CG 4.27Å; R352-E517 IonicContact NH2-OE2 3.71Å; R352-L518 PolarHBondContact N-O 3.25Å; R352-D519 VanDerWaalsContact CB-OD1 3.28Å; R352-D519 WeakPolarHBondContact CB-OD1 3.4Å; R352-D519 IonicContact CZ-OD1 3.43Å; R352-D519 IonicContact CZ-OD2 3.7Å; R352-D519 IonicContact NE-OD1 3.48Å; R352-D519 PolarHBondContact NE-OD1 2.82Å; R352-D519 IonicContact NE-OD2 2.77Å; R352-D519 PolarHBondContact NE-OD2 2.87Å; R352-D519 IonicContact NH2-OD1 3.33Å; R352-D519 PolarHBondContact NH2-OD1 3.49Å; R352-D519 IonicContact NH2-OD2 2.65Å; R352-D519 PolarHBondContact NH2-OD2 3.14Å; R352-V520 PolarHBondContact O-N 3.43Å
353T98.4Very high96.1Very high1 Ų129 Ų291%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-129.7109.4171.8-64.20000108.6N299 K300 E347 R358 V520N299-T353 CarbonylContact C-O 3.56Å; N299-T353 WeakPolarHBondContact CA-O 3.16Å; N299-T353 VanDerWaalsContact CB-O 3.25Å; N299-T353 WeakPolarHBondContact CB-O 3.3Å; N299-T353 PolarHBondContact ND2-O 3.47Å; N299-T353 VanDerWaalsContact ND2-O 3.13Å; K300-T353 PolarHBondContact N-O 3.47Å; K300-T353 PolarHBondContact O-N 3.33Å; E347-T353 VanDerWaalsContact CD-OG1 3.3Å; T353-R358 HydrophobicContact CG2-CB 3.97Å; T353-V520 HydrophobicContact CG2-CB 4.29Å; T353-V520 HydrophobicContact CG2-CG1 4.49Å
354L98Very high96.3Very high35 Ų3528.3 Ų28.318%0.18315%0.149CC..EExtended strand (participates in β ladder)trans-109.2-159.2-169.2-54.4-175.5000110.3N299 F301 R352 N356 G357 D519 V520N299-L354 WeakPolarHBondContact ND2-CA 3.26Å; N299-L354 PolarHBondContact ND2-O 2.96Å; F301-L354 HydrophobicContact CD1-CD2 3.88Å; F301-L354 HydrophobicContact CE1-CD2 4.09Å; R352-L354 HydrophobicContact CB-CD2 4.04Å; R352-L354 HydrophobicContact CB-CG 4.27Å; L354-N356 PolarHBondContact O-N 3.42Å; L354-G357 WeakPolarHBondContact O-CA 3.34Å; L354-G357 PolarHBondContact O-N 2.94Å; L354-D519 HydrophobicContact CD1-CB 4Å; L354-D519 HydrophobicContact CG-CB 4.4Å; L354-V520 PolarHBondContact N-O 2.81Å
355G95.8Very high96.6Very high43 Ų4331.2 Ų31.244%0.44316%0.164SC..EExtended strand (participates in β ladder)trans50.8-134.5-176.600000112.6N299 G357 R394N299-G355 PolarHBondContact ND2-O 3.41Å; G355-G357 PolarHBondContact O-N 3.31Å; G355-R394 PolarHBondContact O-NH2 3.06Å
356N94.6Very high96.9Very high120 Ų12031.7 Ų31.764%0.64217%0.165SC*.EExtended strand (participates in β ladder)trans-70.6-8.9177.5-65.6-21.4000113.3R297 L354 R394R297-N356 WeakPolarHBondContact CB-O 3.4Å; R297-N356 VanDerWaalsContact CD-O 3.3Å; R297-N356 WeakPolarHBondContact CD-O 3.41Å; L354-N356 PolarHBondContact O-N 3.42Å; N356-R394 WeakPolarHBondContact O-CD 3.48Å; N356-R394 PolarHBondContact O-NH1 2.72Å
357G96.6Very high97.2Very high2 Ų226 Ų262%0.02114%0.143CC..EExtended strand (participates in β ladder)trans80.6173.8178.700000114.2Y298 L354 G355Y298-G357 CarbonylContact O-C 3.46Å; Y298-G357 WeakPolarHBondContact O-CA 3.43Å; L354-G357 WeakPolarHBondContact O-CA 3.34Å; L354-G357 PolarHBondContact O-N 2.94Å; G355-G357 PolarHBondContact O-N 3.31Å
358R96.3Very high97.3Very high7 Ų726.7 Ų26.73%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-90133.4-179.6-179.3-174.7-55.7-72.4-3.7110.8R297 Y298 S344 G345 E347 T353 F360 V523R297-R358 CarbonylContact C-O 3.58Å; R297-R358 VanDerWaalsContact CA-O 3.22Å; R297-R358 WeakPolarHBondContact CA-O 3.38Å; Y298-R358 HydrophobicContact CD1-CB 4.28Å; Y298-R358 WeakPolarHBondContact CD1-O 3.38Å; Y298-R358 HydrophobicContact CE1-CB 3.79Å; Y298-R358 HydrophobicContact CE1-CG 4.04Å; Y298-R358 HydrophobicContact CE2-CB 4.39Å; Y298-R358 PolarHBondContact N-O 3.43Å; Y298-R358 PolarHBondContact O-N 3.06Å; Y298-R358 VanDerWaalsContact OH-CD 3.29Å; Y298-R358 WeakPolarHBondContact OH-CD 3.49Å; Y298-R358 PolarHBondContact OH-NE 2.77Å; S344-R358 WeakPolarHBondContact O-CD 3.44Å; S344-R358 PolarHBondContact O-NH1 3.39Å; G345-R358 WeakPolarHBondContact O-CD 2.96Å; E347-R358 IonicContact OE2-CZ 2.62Å; E347-R358 VanDerWaalsContact OE2-CZ 3.23Å; E347-R358 IonicContact OE2-NE 2.87Å; E347-R358 PolarHBondContact OE2-NE 2.89Å; E347-R358 IonicContact OE2-NH2 3.92Å; E347-R358 PolarHBondContact OE2-NH2 3.38Å; T353-R358 HydrophobicContact CG2-CB 3.97Å; R358-F360 PolarHBondContact O-N 3.46Å; R358-V523 HydrophobicContact CB-CG2 4.29Å; R358-V523 HydrophobicContact CG-CG2 4.38Å
359P96.2Very high97.3Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-58.7134.1170.2-23.633.9000112.5G296 R297 S343 S344 V525 W527G296-P359 WeakPolarHBondContact O-CA 3.46Å; R297-P359 HydrophobicContact CG-CG 4.46Å; S343-P359 WeakPolarHBondContact CA-O 3.49Å; S343-P359 WeakPolarHBondContact CB-O 3.4Å; S344-P359 PolarHBondContact N-O 2.87Å; P359-V525 HydrophobicContact CG-CB 4.13Å; P359-V525 HydrophobicContact CG-CG1 4.35Å; P359-W527 HydrophobicContact CB-CE3 4.46Å; P359-W527 WeakPolarHBondContact CB-O 3.44Å; P359-W527 WeakPolarHBondContact CG-O 3.42Å
360F96.6Very high97.2Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-133.8162.1169.476.6-86.8000110.4A295 G296 Y298 I326 F341 S342 R358 V393 L396A295-F360 WeakPolarHBondContact CA-O 3.42Å; G296-F360 VanDerWaalsContact C-CD1 3.43Å; G296-F360 PolarHBondContact N-O 3.11Å; G296-F360 WeakPolarHBondContact O-CD1 3.39Å; G296-F360 PolarHBondContact O-N 2.73Å; Y298-F360 HydrophobicContact CD1-CB 4.09Å; Y298-F360 AromaticContact CD1-CD1 3.98Å; Y298-F360 HydrophobicContact CD1-CD1 3.98Å; Y298-F360 HydrophobicContact CD1-CG 4.36Å; Y298-F360 HydrophobicContact CE1-CB 4.47Å; I326-F360 HydrophobicContact CD1-CD1 4.29Å; I326-F360 HydrophobicContact CD1-CE1 4.19Å; I326-F360 HydrophobicContact CD1-CZ 4.35Å; I326-F360 HydrophobicContact CG2-CD2 4.35Å; I326-F360 HydrophobicContact CG2-CE2 3.6Å; I326-F360 HydrophobicContact CG2-CZ 3.71Å; F341-F360 HydrophobicContact CD2-CD2 4.33Å; F341-F360 HydrophobicContact CE1-CB 4.47Å; F341-F360 HydrophobicContact CE2-CB 3.85Å; F341-F360 AromaticContact CE2-CD2 3.57Å; F341-F360 HydrophobicContact CE2-CD2 3.57Å; F341-F360 HydrophobicContact CE2-CE2 4.42Å; F341-F360 AromaticContact CE2-CG 3.9Å; F341-F360 HydrophobicContact CE2-CG 3.9Å; F341-F360 HydrophobicContact CZ-CB 3.61Å; F341-F360 HydrophobicContact CZ-CD2 4.23Å; F341-F360 HydrophobicContact CZ-CG 4.09Å; S342-F360 CarbonylContact O-C 3.53Å; S342-F360 WeakPolarHBondContact O-CA 3.48Å; R358-F360 PolarHBondContact O-N 3.46Å; F360-V393 HydrophobicContact CE1-CG1 3.95Å; F360-V393 HydrophobicContact CZ-CG1 4.17Å; F360-L396 HydrophobicContact CE2-CD1 4.46Å; F360-L396 HydrophobicContact CZ-CD1 3.83Å
361A96.6Very high97Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-152160164.200000112.9I294 A295 S342 M404 M407 W527I294-A361 CarbonylContact O-C 3.59Å; I294-A361 WeakPolarHBondContact O-CA 3.44Å; I294-A361 VanDerWaalsContact O-CB 3.27Å; I294-A361 WeakPolarHBondContact O-CB 3.41Å; A295-A361 HydrophobicContact CB-CB 3.85Å; S342-A361 PolarHBondContact N-O 3.07Å; S342-A361 PolarHBondContact O-N 3.18Å; A361-M404 HydrophobicContact CB-CE 3.26Å; A361-M404 HydrophobicContact CB-SD 3.16Å; A361-M404 WeakPolarHBondContact CB-SD 3.44Å; A361-M407 HydrophobicContact CB-CE 4.23Å; A361-M407 HydrophobicContact CB-SD 4.43Å; A361-W527 HydrophobicContact CB-CH2 3.75Å; A361-W527 HydrophobicContact CB-CZ3 4.28Å
362M96.7Very high96.9Very high0 Ų031.6 Ų31.60%016%0.157CC..EExtended strand (participates in β ladder)trans-137.8119.6-166.9-135.8169.973.800109F293 I294 A327 I330 F339 N340 F341 L364F293-M362 CarbonylContact C-O 3.58Å; F293-M362 WeakPolarHBondContact CA-O 3.3Å; I294-M362 PolarHBondContact N-O 3.5Å; I294-M362 PolarHBondContact O-N 2.94Å; A327-M362 HydrophobicContact CB-CE 4.03Å; A327-M362 HydrophobicContact CB-SD 3.64Å; I330-M362 HydrophobicContact CB-CE 3.79Å; I330-M362 HydrophobicContact CD1-CE 3.95Å; I330-M362 HydrophobicContact CD1-SD 4.44Å; I330-M362 HydrophobicContact CG1-CE 4.46Å; I330-M362 HydrophobicContact CG2-CE 3.65Å; F339-M362 HydrophobicContact CB-CE 4.23Å; F339-M362 HydrophobicContact CB-CG 4.21Å; F339-M362 HydrophobicContact CD2-CE 4.39Å; F339-M362 HydrophobicContact CD2-CG 3.73Å; F339-M362 HydrophobicContact CD2-SD 3.8Å; F339-M362 HydrophobicContact CE2-SD 4.35Å; F339-M362 HydrophobicContact CG-CE 4.36Å; F339-M362 HydrophobicContact CG-CG 4.34Å; F339-M362 HydrophobicContact CG-SD 4.36Å; N340-M362 CarbonylContact O-C 3.47Å; N340-M362 VanDerWaalsContact O-CA 3.3Å; N340-M362 WeakPolarHBondContact O-CA 3.46Å; F341-M362 HydrophobicContact CB-CG 4.28Å; F341-M362 HydrophobicContact CD2-CG 4.02Å; F341-M362 HydrophobicContact CD2-SD 4.06Å; M362-L364 HydrophobicContact CE-CD2 3.4Å
363E97.8Very high96.8Very high29 Ų2930.8 Ų30.814%0.13616%0.162CC..EExtended strand (participates in β ladder)trans-83.8119.2167.8-178.9178-154.400108S291 F293 F339 N340 L365 R401S291-E363 WeakPolarHBondContact CB-OE1 3.18Å; S291-E363 PolarHBondContact OG-OE1 3.01Å; F293-E363 HydrophobicContact CD1-CB 3.88Å; F293-E363 HydrophobicContact CD1-CG 4.17Å; F293-E363 HydrophobicContact CE1-CB 3.54Å; F293-E363 HydrophobicContact CE1-CG 3.48Å; F293-E363 VanDerWaalsContact CE1-CG 3.48Å; F293-E363 HydrophobicContact CZ-CB 4.27Å; F293-E363 HydrophobicContact CZ-CG 3.69Å; F339-E363 CarbonylContact C-O 3.54Å; F339-E363 WeakPolarHBondContact CA-O 3.47Å; F339-E363 WeakPolarHBondContact CB-O 3.21Å; N340-E363 HydrophobicContact CB-CB 4.17Å; N340-E363 PolarHBondContact N-O 2.81Å; N340-E363 PolarHBondContact ND2-OE2 3.31Å; N340-E363 PolarHBondContact O-N 3.23Å; E363-L365 HydrophobicContact CG-CD2 4.08Å; E363-R401 IonicContact OE1-CZ 2.63Å; E363-R401 IonicContact OE1-NH1 3.93Å; E363-R401 IonicContact OE1-NH2 3.73Å; E363-R401 PolarHBondContact OE1-NH2 3.31Å
364L98.3Very high96.6Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-91.6122.9174.4-59.8178.1000109.1S291 V292 I294 I330 L331 F334 A336 F339 M362S291-L364 WeakPolarHBondContact CA-O 3.48Å; S291-L364 VanDerWaalsContact CB-O 3.3Å; S291-L364 WeakPolarHBondContact CB-O 3.28Å; V292-L364 PolarHBondContact N-O 3.35Å; V292-L364 WeakPolarHBondContact O-CB 3.45Å; V292-L364 PolarHBondContact O-N 2.94Å; I294-L364 HydrophobicContact CD1-CD1 4.3Å; I294-L364 HydrophobicContact CG1-CD1 3.72Å; I294-L364 HydrophobicContact CG1-CG 4.24Å; I330-L364 HydrophobicContact CG2-CD1 3.85Å; I330-L364 HydrophobicContact CG2-CD2 3.92Å; I330-L364 HydrophobicContact CG2-CG 4.43Å; L331-L364 HydrophobicContact CD2-CD2 4.13Å; F334-L364 HydrophobicContact CB-CD1 3.64Å; F334-L364 HydrophobicContact CD1-CD1 3.44Å; F334-L364 VanDerWaalsContact CD1-CD1 3.44Å; F334-L364 HydrophobicContact CD2-CD1 3.7Å; F334-L364 HydrophobicContact CE1-CD1 4.01Å; F334-L364 HydrophobicContact CE2-CD1 4.22Å; F334-L364 HydrophobicContact CG-CD1 3.29Å; F334-L364 HydrophobicContact CZ-CD1 4.37Å; A336-L364 HydrophobicContact CB-CB 4.07Å; A336-L364 HydrophobicContact CB-CD2 4.45Å; F339-L364 HydrophobicContact CB-CD2 4.14Å; M362-L364 HydrophobicContact CE-CD2 3.4Å
365L97.9Very high96.5Very high61 Ų6142.9 Ų42.932%0.31922%0.221SC..EExtended strand (participates in β ladder)trans-88.9129.1-177.9-55.5178.7000109.6A336 D337 G338 E363A336-L365 WeakPolarHBondContact CB-O 3.1Å; D337-L365 PolarHBondContact N-O 3.12Å; G338-L365 PolarHBondContact O-N 3.02Å; E363-L365 HydrophobicContact CG-CD2 4.08Å
366N97.8Very high96.6Very high20 Ų2043.8 Ų43.811%0.10721%0.214CC..SBendtrans48.655.3175.5-162.629.3000114.6Y140 L288 H289 D337 H368Y140-N366 WeakPolarHBondContact CE1-OD1 3.1Å; Y140-N366 PolarHBondContact OH-ND2 2.81Å; Y140-N366 PolarHBondContact OH-OD1 3.42Å; L288-N366 WeakPolarHBondContact CA-OD1 3.09Å; H289-N366 PolarHBondContact N-OD1 3.08Å; H289-N366 WeakPolarHBondContact O-CA 3.34Å; D337-N366 HydrophobicContact CB-CB 4.34Å; D337-N366 WeakPolarHBondContact OD2-CB 3.45Å; D337-N366 PolarHBondContact OD2-ND2 2.89Å; N366-H368 PolarHBondContact O-N 3.44Å
367P98.2Very high96.8Very high0 Ų038.5 Ų38.50%019%0.186CC..  trans-70.4129.3-177.729.4-33.4000111.5H289 V292 F334 A336 R369H289-P367 WeakPolarHBondContact CB-O 3.43Å; V292-P367 HydrophobicContact CB-CG 4.16Å; V292-P367 HydrophobicContact CG2-CG 3.68Å; F334-P367 HydrophobicContact CB-CB 4.39Å; A336-P367 HydrophobicContact CB-CB 4.28Å; P367-R369 PolarHBondContact O-N 2.91Å
368H98.2Very high96.8Very high23 Ų2343 Ų4311%0.10621%0.205CC..SBendtrans-77-15.6172.8-62.269.3000112.6Q138 Y140 E141 F334 R335 D337 N366Q138-H368 PolarHBondContact O-CD2 3.37Å; Y140-H368 CarbonylContact C-O 3.56Å; Y140-H368 HydrophobicContact CD1-CB 4.16Å; Y140-H368 AromaticContact CD1-CD2 3.8Å; Y140-H368 AromaticContact CD1-CG 3.94Å; Y140-H368 AromaticContact CD2-CD2 3.7Å; Y140-H368 HydrophobicContact CE1-CB 4.4Å; Y140-H368 AromaticContact CE1-CD2 3.59Å; Y140-H368 AromaticContact CE1-CE1 3.96Å; Y140-H368 AromaticContact CE1-CG 3.75Å; Y140-H368 AromaticContact CE1-ND1 3.98Å; Y140-H368 AromaticContact CE1-NE2 3.76Å; Y140-H368 AromaticContact CE2-CD2 3.51Å; Y140-H368 AromaticContact CE2-NE2 3.44Å; Y140-H368 WeakPolarHBondContact CE2-NE2 3.4Å; Y140-H368 AromaticContact CG-CD2 3.82Å; Y140-H368 AromaticContact CZ-CD2 3.41Å; Y140-H368 VanDerWaalsContact CZ-CD2 3.41Å; Y140-H368 AromaticContact CZ-CE1 3.65Å; Y140-H368 AromaticContact CZ-NE2 3.18Å; Y140-H368 PolarHBondContact OH-CE1 3.25Å; Y140-H368 PolarHBondContact OH-NE2 3.23Å; E141-H368 PolarHBondContact N-O 3.09Å; F334-H368 PolarHBondContact O-N 3.37Å; R335-H368 HydrophobicContact CB-CB 3.78Å; R335-H368 PolarHBondContact NH2-O 2.9Å; R335-H368 PolarHBondContact O-N 3.06Å; R335-H368 PolarHBondContact O-ND1 3.49Å; D337-H368 IonicContact OD1-CE1 2.84Å; N366-H368 PolarHBondContact O-N 3.44Å
369R97.4Very high96.9Very high57 Ų5747.8 Ų47.822%0.21523%0.227CC..  trans-129.7118170.7175.9168.1-173-159.5-1.5109.6E141 F334 P367 R371 F372 E376E141-R369 WeakPolarHBondContact OE1-CB 3.45Å; E141-R369 VanDerWaalsContact OE1-CD 3.26Å; E141-R369 WeakPolarHBondContact OE1-CD 3.29Å; E141-R369 VanDerWaalsContact OE1-CG 3.29Å; E141-R369 WeakPolarHBondContact OE1-CG 3.33Å; E141-R369 IonicContact OE1-NE 2.82Å; E141-R369 WeakPolarHBondContact OE2-CG 3.48Å; E141-R369 IonicContact OE2-NE 2.75Å; F334-R369 WeakPolarHBondContact CD1-O 3.24Å; F334-R369 PolarHBondContact O-N 3.35Å; P367-R369 PolarHBondContact O-N 2.91Å; R369-R371 PolarHBondContact NE-O 3.13Å; R369-R371 PolarHBondContact NH2-O 3.17Å; R369-F372 HydrophobicContact CB-CE2 4.45Å; R369-F372 HydrophobicContact CG-CD2 4.45Å; R369-F372 HydrophobicContact CG-CE2 3.59Å; R369-F372 HydrophobicContact CG-CZ 3.82Å; R369-E376 IonicContact CZ-OE1 3.77Å; R369-E376 IonicContact NH1-OE1 2.93Å; R369-E376 IonicContact NH2-OE1 3.44Å; R369-E376 PolarHBondContact NH2-OE1 3.04Å; R369-E376 IonicContact NH2-OE2 2.67Å
370S94.1Very high97Very high22 Ų2248.4 Ų48.415%0.15423%0.23CC..  trans-112.2-7.3-175.159.80000114.5H289H289-S370 WeakPolarHBondContact CE1-CB 3.24Å; H289-S370 PolarHBondContact CE1-OG 3.14Å; H289-S370 WeakPolarHBondContact NE2-CB 3.34Å; H289-S370 PolarHBondContact NE2-OG 3.24Å; H289-S370 VanDerWaalsContact NE2-OG 3.11Å
371R94.1Very high97.1Very high140 Ų14050 Ų5053%0.52824%0.238SC..  trans-116.9125.1-175.1-66.3180178.5178.6-1.2112.2D143 R369D143-R371 IonicContact OD1-CZ 2.81Å; D143-R371 IonicContact OD1-NH1 2.78Å; D143-R371 PolarHBondContact OD1-NH1 2.58Å; D143-R371 IonicContact OD1-NH2 3.71Å; D143-R371 IonicContact OD2-CZ 3.84Å; D143-R371 IonicContact OD2-NH1 3.79Å; D143-R371 PolarHBondContact OD2-NH1 3.26Å; D143-R371 IonicContact OD2-NH2 3.54Å; D143-R371 PolarHBondContact OD2-NH2 3.04Å; R369-R371 PolarHBondContact NE-O 3.13Å; R369-R371 PolarHBondContact NH2-O 3.17Å
372F96.5Very high97.1Very high30 Ų3053.7 Ų53.713%0.13226%0.255CS..  trans-135.1133.5173.9-71.8-101.1000108.9A333 F334 R369 E376 M377 I398A333-F372 HydrophobicContact CB-CE1 4.2Å; A333-F372 HydrophobicContact CB-CZ 4.09Å; A333-F372 WeakPolarHBondContact O-CZ 3.26Å; F334-F372 HydrophobicContact CD1-CD2 4.03Å; F334-F372 AromaticContact CD1-CE2 3.49Å; F334-F372 HydrophobicContact CD1-CE2 3.49Å; F334-F372 VanDerWaalsContact CD1-CE2 3.49Å; F334-F372 HydrophobicContact CD1-CZ 4.42Å; F334-F372 HydrophobicContact CD2-CD2 4.38Å; F334-F372 AromaticContact CD2-CE2 3.68Å; F334-F372 HydrophobicContact CD2-CE2 3.68Å; F334-F372 AromaticContact CD2-CZ 3.9Å; F334-F372 HydrophobicContact CD2-CZ 3.9Å; F334-F372 AromaticContact CE1-CD2 3.37Å; F334-F372 HydrophobicContact CE1-CD2 3.37Å; F334-F372 AromaticContact CE1-CE2 3.33Å; F334-F372 HydrophobicContact CE1-CE2 3.33Å; F334-F372 HydrophobicContact CE1-CG 4.49Å; F334-F372 HydrophobicContact CE1-CZ 4.43Å; F334-F372 AromaticContact CE2-CD2 3.79Å; F334-F372 HydrophobicContact CE2-CD2 3.79Å; F334-F372 HydrophobicContact CE2-CE1 4.48Å; F334-F372 AromaticContact CE2-CE2 3.55Å; F334-F372 HydrophobicContact CE2-CE2 3.55Å; F334-F372 HydrophobicContact CE2-CG 4.37Å; F334-F372 AromaticContact CE2-CZ 3.93Å; F334-F372 HydrophobicContact CE2-CZ 3.93Å; F334-F372 HydrophobicContact CG-CD2 4.48Å; F334-F372 AromaticContact CG-CE2 3.64Å; F334-F372 HydrophobicContact CG-CE2 3.64Å; F334-F372 HydrophobicContact CG-CZ 4.14Å; F334-F372 AromaticContact CZ-CD2 3.22Å; F334-F372 HydrophobicContact CZ-CD2 3.22Å; F334-F372 AromaticContact CZ-CE2 3.35Å; F334-F372 HydrophobicContact CZ-CE2 3.35Å; F334-F372 AromaticContact CZ-CG 3.97Å; F334-F372 HydrophobicContact CZ-CG 3.97Å; F334-F372 HydrophobicContact CZ-CZ 4.19Å; R369-F372 HydrophobicContact CB-CE2 4.45Å; R369-F372 HydrophobicContact CG-CD2 4.45Å; R369-F372 HydrophobicContact CG-CE2 3.59Å; R369-F372 HydrophobicContact CG-CZ 3.82Å; F372-E376 HydrophobicContact CB-CB 4.4Å; F372-E376 HydrophobicContact CD1-CB 3.88Å; F372-M377 HydrophobicContact CB-CG 3.81Å; F372-M377 HydrophobicContact CB-SD 3.62Å; F372-M377 HydrophobicContact CD1-SD 4.44Å; F372-M377 HydrophobicContact CG-SD 4.01Å; F372-I398 HydrophobicContact CB-CD1 4.17Å
373S96.3Very high97.2Very high56 Ų5657.4 Ų57.439%0.39228%0.278SS..  trans-68.5163.2167.467.20000110.6V375 E376 M377S373-V375 PolarHBondContact O-N 2.95Å; S373-E376 WeakPolarHBondContact CB-OE2 3.32Å; S373-E376 PolarHBondContact N-OE2 3.45Å; S373-E376 PolarHBondContact O-N 3.39Å; S373-E376 VanDerWaalsContact OG-CG 3.29Å; S373-E376 WeakPolarHBondContact OG-CG 3.25Å; S373-E376 PolarHBondContact OG-N 3.48Å; S373-E376 PolarHBondContact OG-OE2 3.17Å; S373-M377 WeakPolarHBondContact O-CG 3.41Å; S373-M377 PolarHBondContact O-N 3.36Å
374K94.5Very high97.2Very high194 Ų19456 Ų5684%0.84327%0.272SS*.Hα-helixtrans-57.6-34.7174.6-66.3-176.2178.6-177.90112.4K378K374-K378 PolarHBondContact O-N 3.3Å
375V96.5Very high97.2Very high96 Ų9658 Ų5858%0.58228%0.282SS*.Hα-helixtrans-66.8-45.6178.8178.30000110.5S373 K378 Q379S373-V375 PolarHBondContact O-N 2.95Å; V375-K378 PolarHBondContact O-N 2.95Å; V375-Q379 WeakPolarHBondContact O-CG 3.33Å; V375-Q379 PolarHBondContact O-N 2.74Å
376E97.6Very high97.2Very high62 Ų6262.8 Ų62.829%0.2930%0.3SS..Hα-helixtrans-67.5-37.1178.7-65.2165.4114.200111.9R369 F372 S373 K378 Q379 L380R369-E376 IonicContact CZ-OE1 3.77Å; R369-E376 IonicContact NH1-OE1 2.93Å; R369-E376 IonicContact NH2-OE1 3.44Å; R369-E376 PolarHBondContact NH2-OE1 3.04Å; R369-E376 IonicContact NH2-OE2 2.67Å; F372-E376 HydrophobicContact CB-CB 4.4Å; F372-E376 HydrophobicContact CD1-CB 3.88Å; S373-E376 WeakPolarHBondContact CB-OE2 3.32Å; S373-E376 PolarHBondContact N-OE2 3.45Å; S373-E376 PolarHBondContact O-N 3.39Å; S373-E376 VanDerWaalsContact OG-CG 3.29Å; S373-E376 WeakPolarHBondContact OG-CG 3.25Å; S373-E376 PolarHBondContact OG-N 3.48Å; S373-E376 PolarHBondContact OG-OE2 3.17Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.27Å; E376-Q379 PolarHBondContact O-N 2.85Å; E376-L380 WeakPolarHBondContact O-CB 3.47Å; E376-L380 PolarHBondContact O-N 3.19Å
377M97.9Very high97.1Very high10 Ų1065 Ų655%0.04932%0.318CS..Hα-helixtrans-62.5-40.3172.9-71.3-55.5-58.400112.1I294 F334 F372 S373 L380 Q381 L396 I398I294-M377 HydrophobicContact CD1-CE 4.29Å; I294-M377 HydrophobicContact CG2-CE 4.15Å; F334-M377 HydrophobicContact CE2-SD 4.32Å; F334-M377 HydrophobicContact CZ-SD 4.06Å; F372-M377 HydrophobicContact CB-CG 3.81Å; F372-M377 HydrophobicContact CB-SD 3.62Å; F372-M377 HydrophobicContact CD1-SD 4.44Å; F372-M377 HydrophobicContact CG-SD 4.01Å; S373-M377 WeakPolarHBondContact O-CG 3.41Å; S373-M377 PolarHBondContact O-N 3.36Å; M377-L380 HydrophobicContact CE-CD2 4.49Å; M377-L380 PolarHBondContact O-N 3.3Å; M377-Q381 PolarHBondContact O-N 3.19Å; M377-L396 HydrophobicContact CE-CD2 3.86Å; M377-L396 HydrophobicContact CE-CG 3.73Å; M377-I398 HydrophobicContact CE-CG1 4.49Å; M377-I398 HydrophobicContact SD-CD1 4.4Å; M377-I398 HydrophobicContact SD-CG1 4.17Å
378K97.1Very high97Very high96 Ų9666 Ų6642%0.41732%0.324SS..Hα-helixtrans-63.9-42.8174.3-175.4171.9178.51720111.6K374 V375 E376 L380 Q381 E382 E533K374-K378 PolarHBondContact O-N 3.3Å; V375-K378 PolarHBondContact O-N 2.95Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.27Å; K378-L380 VanDerWaalsContact C-N 3.34Å; K378-L380 PolarHBondContact O-N 2.92Å; K378-Q381 WeakPolarHBondContact O-CB 3.44Å; K378-Q381 PolarHBondContact O-N 3.13Å; K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.27Å; K378-E533 PolarHBondContact NZ-OXT 3.34Å
379Q97.9Very high96.9Very high107 Ų10771.4 Ų71.450%0.535%0.354SS..Hα-helixtrans-63.5-38.8175.3-71.2169.9-11.900112.4V375 E376 E382 T383V375-Q379 WeakPolarHBondContact O-CG 3.33Å; V375-Q379 PolarHBondContact O-N 2.74Å; E376-Q379 PolarHBondContact O-N 2.85Å; Q379-E382 PolarHBondContact O-N 2.99Å; Q379-T383 WeakPolarHBondContact O-CB 3.25Å; Q379-T383 PolarHBondContact O-N 2.94Å; Q379-T383 PolarHBondContact O-OG1 2.95Å
380L98.3Very high96.9Very high13 Ų1371.8 Ų71.87%0.06836%0.357CS..Hα-helixtrans-64.1-42.7174.7-179.457.2000111.2P329 I330 A333 F334 E376 M377 K378 E382 T383 I384 L396P329-L380 HydrophobicContact CB-CD1 4.12Å; I330-L380 HydrophobicContact CG1-CD2 4.14Å; I330-L380 HydrophobicContact CG1-CG 4.44Å; A333-L380 HydrophobicContact CB-CD1 3.96Å; A333-L380 HydrophobicContact CB-CD2 4.16Å; F334-L380 HydrophobicContact CD2-CD2 4.44Å; F334-L380 HydrophobicContact CE2-CD2 3.91Å; E376-L380 WeakPolarHBondContact O-CB 3.47Å; E376-L380 PolarHBondContact O-N 3.19Å; M377-L380 HydrophobicContact CE-CD2 4.49Å; M377-L380 PolarHBondContact O-N 3.3Å; K378-L380 VanDerWaalsContact C-N 3.34Å; K378-L380 PolarHBondContact O-N 2.92Å; L380-E382 VanDerWaalsContact C-N 3.35Å; L380-E382 PolarHBondContact O-N 3.13Å; L380-T383 WeakPolarHBondContact O-CB 3.32Å; L380-T383 PolarHBondContact O-N 2.98Å; L380-T383 VanDerWaalsContact O-N 3.17Å; L380-I384 HydrophobicContact CG-CD1 4.44Å; L380-I384 WeakPolarHBondContact O-CG1 3.26Å; L380-I384 PolarHBondContact O-N 3.08Å; L380-L396 HydrophobicContact CB-CD2 4.25Å; L380-L396 HydrophobicContact CD2-CD2 4.18Å; L380-L396 HydrophobicContact CG-CD2 3.97Å
381Q98.4Very high97.1Very high35 Ų3570.7 Ų70.716%0.16435%0.35CS..Hα-helixtrans-57.4-47172.7-171.2-175.9-83.600111.7M377 K378 T383 I384 N385 V393 R394 L396M377-Q381 PolarHBondContact O-N 3.19Å; K378-Q381 WeakPolarHBondContact O-CB 3.44Å; K378-Q381 PolarHBondContact O-N 3.13Å; Q381-T383 VanDerWaalsContact C-N 3.29Å; Q381-T383 PolarHBondContact O-N 3.29Å; Q381-I384 PolarHBondContact O-N 3.12Å; Q381-N385 WeakPolarHBondContact O-CB 3.44Å; Q381-N385 VanDerWaalsContact O-CG 3.28Å; Q381-N385 PolarHBondContact O-N 3.47Å; Q381-N385 PolarHBondContact O-ND2 3.22Å; Q381-V393 HydrophobicContact CG-CB 4.48Å; Q381-V393 HydrophobicContact CG-CG2 3.72Å; Q381-V393 WeakPolarHBondContact CG-O 3.35Å; Q381-R394 VanDerWaalsContact OE1-CA 3.28Å; Q381-L396 HydrophobicContact CB-CB 3.92Å; Q381-L396 HydrophobicContact CB-CD2 4.03Å; Q381-L396 HydrophobicContact CG-CB 4.05Å
382E98.1Very high97.3Very high76 Ų7671.1 Ų71.136%0.35535%0.351SS..Hα-helixtrans-62.6-36.7176.2-72.7-179.8-157.300112.6K378 Q379 L380 N385 K386K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.27Å; Q379-E382 PolarHBondContact O-N 2.99Å; L380-E382 VanDerWaalsContact C-N 3.35Å; L380-E382 PolarHBondContact O-N 3.13Å; E382-N385 PolarHBondContact O-N 3.45Å; E382-K386 WeakPolarHBondContact O-CB 3.23Å; E382-K386 VanDerWaalsContact O-CG 3.26Å; E382-K386 WeakPolarHBondContact O-CG 3.46Å; E382-K386 PolarHBondContact O-N 3.44Å; E382-K386 IonicContact OE2-NZ 3.19Å; E382-K386 PolarHBondContact OE2-NZ 3.34Å
383T98.3Very high97.4Very high79 Ų7969.9 Ų69.949%0.48535%0.346SS..Hα-helixtrans-62.5-46.5176.7-59.30000110.6P329 Q379 L380 Q381 N385 K386 S387P329-T383 HydrophobicContact CB-CG2 4.44Å; Q379-T383 WeakPolarHBondContact O-CB 3.25Å; Q379-T383 PolarHBondContact O-N 2.94Å; Q379-T383 PolarHBondContact O-OG1 2.95Å; L380-T383 WeakPolarHBondContact O-CB 3.32Å; L380-T383 PolarHBondContact O-N 2.98Å; L380-T383 VanDerWaalsContact O-N 3.17Å; Q381-T383 VanDerWaalsContact C-N 3.29Å; Q381-T383 PolarHBondContact O-N 3.29Å; T383-N385 VanDerWaalsContact C-N 3.34Å; T383-N385 PolarHBondContact O-N 2.93Å; T383-K386 PolarHBondContact O-N 2.91Å; T383-S387 WeakPolarHBondContact O-CB 3.36Å; T383-S387 PolarHBondContact O-N 3.35Å
384I98.3Very high97.5Very high0 Ų070.4 Ų70.40%034%0.339CS..Hα-helixtrans-59.1-47.7174.1-61.3160.1000109.8P329 I330 L380 Q381 K386 S387 I391 V393 L396P329-I384 HydrophobicContact CB-CG1 3.79Å; P329-I384 HydrophobicContact CG-CG1 3.84Å; I330-I384 HydrophobicContact CD1-CD1 4.03Å; I330-I384 HydrophobicContact CG1-CD1 3.83Å; L380-I384 HydrophobicContact CG-CD1 4.44Å; L380-I384 WeakPolarHBondContact O-CG1 3.26Å; L380-I384 PolarHBondContact O-N 3.08Å; Q381-I384 PolarHBondContact O-N 3.12Å; I384-K386 VanDerWaalsContact C-N 3.27Å; I384-K386 PolarHBondContact O-N 3.07Å; I384-S387 WeakPolarHBondContact O-CB 3.44Å; I384-S387 PolarHBondContact O-N 3.33Å; I384-S387 VanDerWaalsContact O-N 3.08Å; I384-S387 PolarHBondContact O-OG 2.84Å; I384-I391 HydrophobicContact CG2-CD1 3.78Å; I384-V393 HydrophobicContact CB-CG2 3.65Å; I384-V393 HydrophobicContact CD1-CG2 3.94Å; I384-V393 HydrophobicContact CG1-CG2 4.42Å; I384-V393 HydrophobicContact CG2-CB 4.46Å; I384-V393 HydrophobicContact CG2-CG1 4.03Å; I384-V393 HydrophobicContact CG2-CG2 3.54Å; I384-L396 HydrophobicContact CD1-CD2 3.97Å
385N98.2Very high97.6Very high41 Ų4162 Ų6222%0.21930%0.304CS..Hα-helixtrans-64.6-26.4-178.9-73-17.5000114.7Q381 E382 T383 R392 V393Q381-N385 WeakPolarHBondContact O-CB 3.44Å; Q381-N385 VanDerWaalsContact O-CG 3.28Å; Q381-N385 PolarHBondContact O-N 3.47Å; Q381-N385 PolarHBondContact O-ND2 3.22Å; E382-N385 PolarHBondContact O-N 3.45Å; T383-N385 VanDerWaalsContact C-N 3.34Å; T383-N385 PolarHBondContact O-N 2.93Å; N385-R392 VanDerWaalsContact OD1-CA 3.22Å; N385-R392 WeakPolarHBondContact OD1-CA 3.5Å; N385-V393 PolarHBondContact ND2-O 3.15Å; N385-V393 WeakPolarHBondContact OD1-CG2 3.5Å; N385-V393 PolarHBondContact OD1-N 3.16Å; N385-V393 PolarHBondContact OD1-O 2.89Å
386K97.8Very high97.7Very high161 Ų16157.6 Ų57.670%0.728%0.277SS*.Hα-helixtrans-86.8-20175.5-71165.9-175.1161.50112.2E382 T383 I384E382-K386 WeakPolarHBondContact O-CB 3.23Å; E382-K386 VanDerWaalsContact O-CG 3.26Å; E382-K386 WeakPolarHBondContact O-CG 3.46Å; E382-K386 PolarHBondContact O-N 3.44Å; E382-K386 IonicContact OE2-NZ 3.19Å; E382-K386 PolarHBondContact OE2-NZ 3.34Å; T383-K386 PolarHBondContact O-N 2.91Å; I384-K386 VanDerWaalsContact C-N 3.27Å; I384-K386 PolarHBondContact O-N 3.07Å
387S95.8Very high97.7Very high68 Ų6856.4 Ų56.448%0.47627%0.272SS..Hα-helixtrans-76.1-21.3-177.174.50000114.2T383 I384T383-S387 WeakPolarHBondContact O-CB 3.36Å; T383-S387 PolarHBondContact O-N 3.35Å; I384-S387 WeakPolarHBondContact O-CB 3.44Å; I384-S387 PolarHBondContact O-N 3.33Å; I384-S387 VanDerWaalsContact O-N 3.08Å; I384-S387 PolarHBondContact O-OG 2.84Å
388S95.1Very high97.6Very high19 Ų1959 Ų5913%0.13329%0.285CS..  trans-151.9145.7178.7-1670000111.9K390S388-K390 WeakPolarHBondContact OG-CB 3.45Å; S388-K390 PolarHBondContact OG-N 3.43Å; S388-K390 VanDerWaalsContact OG-N 3.13Å
389D96.8Very high97.5Very high137 Ų13755.4 Ų55.473%0.73327%0.271SS*.SBendtrans-85.8-14.8166.864.1-23.5000112.6
390K98.1Very high97.3Very high65 Ų6554 Ų5428%0.28327%0.27SS..SBendtrans-73.3-28-176.4-59.2-179-178.3174.30113.1F301 C302 L305 L325 S388F301-K390 PolarHBondContact N-O 3.29Å; C302-K390 HydrophobicContact CB-CB 3.98Å; C302-K390 HydrophobicContact CB-CG 4.11Å; L305-K390 HydrophobicContact CD1-CD 4.35Å; L305-K390 HydrophobicContact CD2-CB 4.1Å; L325-K390 HydrophobicContact CD1-CB 4.17Å; L325-K390 HydrophobicContact CD1-CD 4.48Å; S388-K390 WeakPolarHBondContact OG-CB 3.45Å; S388-K390 PolarHBondContact OG-N 3.43Å; S388-K390 VanDerWaalsContact OG-N 3.13Å
391I98.5Very high96.8Very high0 Ų059.9 Ų59.90%029%0.291CS..EExtended strand (participates in β ladder)trans-139.2157.9-178.163.298.5000111N299 L305 V322 L325 I326 I384 V393N299-I391 WeakPolarHBondContact O-CA 3.47Å; N299-I391 VanDerWaalsContact O-CB 3.29Å; N299-I391 WeakPolarHBondContact O-CB 3.46Å; L305-I391 HydrophobicContact CD2-CG2 3.79Å; V322-I391 HydrophobicContact CB-CG2 4.48Å; V322-I391 HydrophobicContact CG1-CG2 4.34Å; V322-I391 HydrophobicContact CG2-CG2 4.01Å; L325-I391 HydrophobicContact CB-CD1 4.25Å; L325-I391 HydrophobicContact CB-CG1 3.86Å; L325-I391 HydrophobicContact CD1-CG1 3.89Å; L325-I391 HydrophobicContact CD1-CG2 4.14Å; I326-I391 HydrophobicContact CG1-CD1 3.98Å; I384-I391 HydrophobicContact CG2-CD1 3.78Å; I391-V393 HydrophobicContact CD1-CG1 4.35Å
392R98.4Very high96.2Very high149 Ų14964.8 Ų64.856%0.56231%0.314SS*.EExtended strand (participates in β ladder)trans-135.7146.5163.2-80179.7-172.9-178.92.1109.3Y298 N299 F301 N385Y298-R392 CarbonylContact C-O 3.55Å; Y298-R392 VanDerWaalsContact CA-O 3.25Å; Y298-R392 WeakPolarHBondContact CA-O 3.29Å; N299-R392 PolarHBondContact N-O 2.86Å; N299-R392 PolarHBondContact O-N 3.28Å; N299-R392 VanDerWaalsContact O-N 3.15Å; F301-R392 HydrophobicContact CE2-CB 3.87Å; F301-R392 HydrophobicContact CE2-CG 3.78Å; F301-R392 HydrophobicContact CZ-CB 4.31Å; F301-R392 HydrophobicContact CZ-CG 4.4Å; N385-R392 VanDerWaalsContact OD1-CA 3.22Å; N385-R392 WeakPolarHBondContact OD1-CA 3.5Å
393V98.4Very high95.4Very high3 Ų362.2 Ų62.22%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-111147.1172.5-67.90000111.2R297 I326 F360 Q381 I384 N385 I391R297-V393 CarbonylContact O-C 3.55Å; R297-V393 VanDerWaalsContact O-CA 3.22Å; R297-V393 WeakPolarHBondContact O-CA 3.45Å; I326-V393 HydrophobicContact CD1-CG1 3.91Å; I326-V393 HydrophobicContact CG1-CG1 3.74Å; I326-V393 HydrophobicContact CG2-CG1 4.4Å; F360-V393 HydrophobicContact CE1-CG1 3.95Å; F360-V393 HydrophobicContact CZ-CG1 4.17Å; Q381-V393 HydrophobicContact CG-CB 4.48Å; Q381-V393 HydrophobicContact CG-CG2 3.72Å; Q381-V393 WeakPolarHBondContact CG-O 3.35Å; I384-V393 HydrophobicContact CB-CG2 3.65Å; I384-V393 HydrophobicContact CD1-CG2 3.94Å; I384-V393 HydrophobicContact CG1-CG2 4.42Å; I384-V393 HydrophobicContact CG2-CB 4.46Å; I384-V393 HydrophobicContact CG2-CG1 4.03Å; I384-V393 HydrophobicContact CG2-CG2 3.54Å; N385-V393 PolarHBondContact ND2-O 3.15Å; N385-V393 WeakPolarHBondContact OD1-CG2 3.5Å; N385-V393 PolarHBondContact OD1-N 3.16Å; N385-V393 PolarHBondContact OD1-O 2.89Å; I391-V393 HydrophobicContact CD1-CG1 4.35Å
394R97.7Very high94.5Very high67 Ų6760.1 Ų60.125%0.25329%0.291SS..EExtended strand (participates in β ladder)trans-138.5169.3171.367.1173.163.1673.1110.3G296 R297 N299 G355 N356 Q381 L396G296-R394 WeakPolarHBondContact CA-O 3.43Å; R297-R394 HydrophobicContact CB-CG 3.78Å; R297-R394 PolarHBondContact N-O 3.11Å; R297-R394 PolarHBondContact O-N 2.99Å; N299-R394 PolarHBondContact OD1-NH1 3Å; N299-R394 PolarHBondContact OD1-NH2 2.81Å; G355-R394 PolarHBondContact O-NH2 3.06Å; N356-R394 WeakPolarHBondContact O-CD 3.48Å; N356-R394 PolarHBondContact O-NH1 2.72Å; Q381-R394 VanDerWaalsContact OE1-CA 3.28Å; R394-L396 PolarHBondContact O-N 3.21Å
395D97.2Very high93.6Very high17 Ų1763.3 Ų63.39%0.09131%0.313CS..EExtended strand (participates in β ladder)trans54.830.5177.8-51.6-45.8000113.9Q397 P530 I531D395-Q397 PolarHBondContact O-N 3.08Å; D395-Q397 PolarHBondContact O-NE2 3.45Å; D395-P530 WeakPolarHBondContact OD1-CA 3.08Å; D395-I531 HydrophobicContact CB-CG1 4.34Å; D395-I531 PolarHBondContact OD1-N 2.96Å
396L98Very high92.7Very high4 Ų467 Ų672%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-68.5118.6-175.9-164.975.6000110.9I294 A295 I330 F360 M377 L380 Q381 I384 R394 I531I294-L396 HydrophobicContact CG2-CD1 3.62Å; I294-L396 HydrophobicContact CG2-CG 4.04Å; A295-L396 CarbonylContact O-C 3.55Å; A295-L396 WeakPolarHBondContact O-CA 3.31Å; I330-L396 HydrophobicContact CD1-CD1 4.25Å; F360-L396 HydrophobicContact CE2-CD1 4.46Å; F360-L396 HydrophobicContact CZ-CD1 3.83Å; M377-L396 HydrophobicContact CE-CD2 3.86Å; M377-L396 HydrophobicContact CE-CG 3.73Å; L380-L396 HydrophobicContact CB-CD2 4.25Å; L380-L396 HydrophobicContact CD2-CD2 4.18Å; L380-L396 HydrophobicContact CG-CD2 3.97Å; Q381-L396 HydrophobicContact CB-CB 3.92Å; Q381-L396 HydrophobicContact CB-CD2 4.03Å; Q381-L396 HydrophobicContact CG-CB 4.05Å; I384-L396 HydrophobicContact CD1-CD2 3.97Å; R394-L396 PolarHBondContact O-N 3.21Å; L396-I531 WeakPolarHBondContact O-CD1 3.37Å
397Q97.1Very high91.8Very high38 Ų3859.6 Ų59.618%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-151.4155-175.359.9-160.2-82.300112.6I294 A295 D395 V399 P529 I531I294-Q397 CarbonylContact C-O 3.59Å; I294-Q397 WeakPolarHBondContact CA-O 3.06Å; A295-Q397 PolarHBondContact N-O 3.33Å; A295-Q397 PolarHBondContact O-N 2.87Å; D395-Q397 PolarHBondContact O-N 3.08Å; D395-Q397 PolarHBondContact O-NE2 3.45Å; Q397-V399 HydrophobicContact CG-CG1 3.88Å; Q397-P529 PolarHBondContact NE2-O 3.16Å; Q397-I531 HydrophobicContact CB-CD1 3.95Å
398I96.8Very high91Very high64 Ų6462.7 Ų62.733%0.32830%0.297SS..EExtended strand (participates in β ladder)trans-75.8131.9167.2-61.4169.1000108.4V292 F293 I294 F334 F372 M377V292-I398 HydrophobicContact CG1-CG2 4Å; F293-I398 CarbonylContact O-C 3.57Å; F293-I398 WeakPolarHBondContact O-CA 3.48Å; I294-I398 HydrophobicContact CD1-CB 4.35Å; I294-I398 HydrophobicContact CD1-CG1 3.56Å; F334-I398 HydrophobicContact CE1-CD1 4.33Å; F334-I398 HydrophobicContact CZ-CD1 4.23Å; F334-I398 HydrophobicContact CZ-CG1 4.26Å; F372-I398 HydrophobicContact CB-CD1 4.17Å; M377-I398 HydrophobicContact CE-CG1 4.49Å; M377-I398 HydrophobicContact SD-CD1 4.4Å; M377-I398 HydrophobicContact SD-CG1 4.17Å
399V95.3Very high90.2Very high21 Ų2166.5 Ų66.513%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-125.5173.6177.8-60.80000110.9F293 A295 Q397 A403 M404 W527F293-V399 HydrophobicContact CB-CG2 3.73Å; F293-V399 WeakPolarHBondContact CB-O 3.43Å; F293-V399 PolarHBondContact O-N 2.72Å; A295-V399 HydrophobicContact CB-CB 4.41Å; A295-V399 HydrophobicContact CB-CG1 3.65Å; A295-V399 HydrophobicContact CB-CG2 3.84Å; Q397-V399 HydrophobicContact CG-CG1 3.88Å; V399-A403 HydrophobicContact CB-CB 4.22Å; V399-M404 HydrophobicContact CG2-SD 4.28Å; V399-W527 HydrophobicContact CG1-CZ2 4.37Å; V399-W527 HydrophobicContact CG2-CZ2 4.24Å
400T92.6Very high89.2Confident78 Ų7860.1 Ų60.148%0.47928%0.279SS..  trans-94.2163.4172.877.70000111.4E402 A403T400-E402 WeakPolarHBondContact CB-OE2 3.42Å; T400-E402 PolarHBondContact O-N 3.08Å; T400-E402 PolarHBondContact OG1-OE2 3.2Å; T400-A403 WeakPolarHBondContact O-CB 3.42Å; T400-A403 PolarHBondContact O-N 3.28Å; T400-A403 PolarHBondContact OG1-N 3.08Å
401R88.6Confident88.2Confident136 Ų13661.1 Ų61.151%0.51329%0.285SS..THydrogen-bonded Turntrans-58.4-38.7176.1-175.6-176.5-74.1-84.90.8111.4F293 E363 A403 M404F293-R401 HydrophobicContact CD2-CB 4.25Å; F293-R401 HydrophobicContact CE1-CB 4.41Å; F293-R401 HydrophobicContact CE1-CG 4.31Å; F293-R401 HydrophobicContact CE2-CB 3.77Å; F293-R401 HydrophobicContact CE2-CG 4.33Å; F293-R401 HydrophobicContact CZ-CB 3.87Å; F293-R401 HydrophobicContact CZ-CG 3.92Å; F293-R401 VanDerWaalsContact CZ-CZ 3.47Å; E363-R401 IonicContact OE1-CZ 2.63Å; E363-R401 IonicContact OE1-NH1 3.93Å; E363-R401 IonicContact OE1-NH2 3.73Å; E363-R401 PolarHBondContact OE1-NH2 3.31Å; R401-A403 VanDerWaalsContact C-N 3.3Å; R401-A403 PolarHBondContact O-N 3.49Å; R401-M404 WeakPolarHBondContact O-CB 3.46Å; R401-M404 WeakPolarHBondContact O-CG 3.27Å; R401-M404 PolarHBondContact O-N 2.95Å
402E85.2Confident87.2Confident138 Ų13867.5 Ų67.565%0.64532%0.315SS*.G310 helixtrans-66.1-35.5-177.9-56.869.5-145.100111.3T400 M404 S405T400-E402 WeakPolarHBondContact CB-OE2 3.42Å; T400-E402 PolarHBondContact O-N 3.08Å; T400-E402 PolarHBondContact OG1-OE2 3.2Å; E402-M404 PolarHBondContact O-N 3.16Å; E402-S405 WeakPolarHBondContact O-CB 3.37Å; E402-S405 PolarHBondContact O-N 3.22Å; E402-S405 VanDerWaalsContact O-N 3.17Å
403A82.4Confident86.4Confident22 Ų2267 Ų6718%0.18232%0.319CS..G310 helixtrans-61.1-2617800000112.5V399 T400 R401 S405 R406 W527V399-A403 HydrophobicContact CB-CB 4.22Å; T400-A403 WeakPolarHBondContact O-CB 3.42Å; T400-A403 PolarHBondContact O-N 3.28Å; T400-A403 PolarHBondContact OG1-N 3.08Å; R401-A403 VanDerWaalsContact C-N 3.3Å; R401-A403 PolarHBondContact O-N 3.49Å; A403-S405 VanDerWaalsContact C-N 3.27Å; A403-S405 PolarHBondContact O-N 3.01Å; A403-R406 WeakPolarHBondContact O-CB 3.29Å; A403-R406 PolarHBondContact O-N 3Å; A403-W527 HydrophobicContact CB-CZ2 4.05Å; A403-W527 VanDerWaalsContact O-CE2 3.27Å; A403-W527 WeakPolarHBondContact O-CZ2 3.28Å; A403-W527 PolarHBondContact O-NE1 3.26Å
404M78.8Confident85.8Confident35 Ų3570.9 Ų70.917%0.17234%0.336CS..G310 helixtrans-64.2-27.9178.4-58.5-70.4-69.700113.3F293 A361 V399 R401 E402 R406 M407 W527F293-M404 HydrophobicContact CD1-CG 4.05Å; F293-M404 HydrophobicContact CD1-SD 4.28Å; A361-M404 HydrophobicContact CB-CE 3.26Å; A361-M404 HydrophobicContact CB-SD 3.16Å; A361-M404 WeakPolarHBondContact CB-SD 3.44Å; V399-M404 HydrophobicContact CG2-SD 4.28Å; R401-M404 WeakPolarHBondContact O-CB 3.46Å; R401-M404 WeakPolarHBondContact O-CG 3.27Å; R401-M404 PolarHBondContact O-N 2.95Å; E402-M404 PolarHBondContact O-N 3.16Å; M404-R406 PolarHBondContact O-N 3.4Å; M404-M407 HydrophobicContact CE-CE 3.79Å; M404-M407 VanDerWaalsContact O-CB 3.29Å; M404-M407 WeakPolarHBondContact O-CB 3.35Å; M404-M407 PolarHBondContact O-N 3.07Å; M404-M407 VanDerWaalsContact O-N 3.12Å; M404-W527 HydrophobicContact SD-CH2 3.88Å; M404-W527 HydrophobicContact SD-CZ2 4.38Å
405S79.9Confident85.6Confident67 Ų6769 Ų6947%0.46933%0.332SS..Hα-helixtrans-59.1-36.5179.4-169.80000111.8E402 A403 M407 K408 E409E402-S405 WeakPolarHBondContact O-CB 3.37Å; E402-S405 PolarHBondContact O-N 3.22Å; E402-S405 VanDerWaalsContact O-N 3.17Å; A403-S405 VanDerWaalsContact C-N 3.27Å; A403-S405 PolarHBondContact O-N 3.01Å; S405-M407 PolarHBondContact O-N 3.38Å; S405-K408 WeakPolarHBondContact O-CB 3.49Å; S405-K408 PolarHBondContact O-N 3.27Å; S405-E409 PolarHBondContact O-N 2.89Å
406R78Confident85.5Confident118 Ų11868.7 Ų68.745%0.44533%0.329SS..Hα-helixtrans-62-27.5179.9-60.8-176.866.2-158.7-10.2112.7A403 M404 G410 D526 W527A403-R406 WeakPolarHBondContact O-CB 3.29Å; A403-R406 PolarHBondContact O-N 3Å; M404-R406 PolarHBondContact O-N 3.4Å; R406-G410 PolarHBondContact O-N 3.43Å; R406-G410 VanDerWaalsContact O-N 3.13Å; R406-D526 PolarHBondContact NH2-O 3.04Å; R406-W527 HydrophobicContact CB-CB 4.31Å; R406-W527 HydrophobicContact CB-CG 4.07Å
407M80.4Confident85.5Confident5 Ų569.8 Ų69.83%0.02534%0.337CS..Hα-helixtrans-68.4-37.6177.1-168.1173.846.200112S342 S343 S344 A361 M404 S405 G410 E411 W527S342-M407 VanDerWaalsContact OG-CE 3.26Å; S342-M407 WeakPolarHBondContact OG-CE 3.41Å; S343-M407 VanDerWaalsContact C-SD 3.59Å; S343-M407 VanDerWaalsContact CA-SD 3.6Å; S344-M407 PolarHBondContact OG-O 3Å; A361-M407 HydrophobicContact CB-CE 4.23Å; A361-M407 HydrophobicContact CB-SD 4.43Å; M404-M407 HydrophobicContact CE-CE 3.79Å; M404-M407 VanDerWaalsContact O-CB 3.29Å; M404-M407 WeakPolarHBondContact O-CB 3.35Å; M404-M407 PolarHBondContact O-N 3.07Å; M404-M407 VanDerWaalsContact O-N 3.12Å; S405-M407 PolarHBondContact O-N 3.38Å; M407-G410 PolarHBondContact O-N 3.42Å; M407-E411 PolarHBondContact O-N 3.47Å; M407-W527 HydrophobicContact CB-CE3 3.83Å; M407-W527 HydrophobicContact CB-CH2 4.4Å; M407-W527 HydrophobicContact CB-CZ3 3.63Å; M407-W527 HydrophobicContact CG-CE3 4.21Å; M407-W527 HydrophobicContact CG-CZ3 3.89Å; M407-W527 HydrophobicContact SD-CZ3 3.77Å
408K77.1Confident85.6Confident134 Ų13469.3 Ų69.358%0.58333%0.334SS*.Hα-helixtrans-72.9-43-179.8-170179.5177.9-173.10111.4S405 G410 E411 E412S405-K408 WeakPolarHBondContact O-CB 3.49Å; S405-K408 PolarHBondContact O-N 3.27Å; K408-G410 VanDerWaalsContact C-N 3.26Å; K408-G410 PolarHBondContact O-N 3.48Å; K408-E411 WeakPolarHBondContact O-CB 3.48Å; K408-E411 PolarHBondContact O-N 3.44Å; K408-E411 VanDerWaalsContact O-N 3.08Å; K408-E412 PolarHBondContact O-N 2.93Å
409E79.8Confident85.7Confident98 Ų9868 Ų6846%0.45833%0.329SS..Hα-helixtrans-56.4-43.3171.3-68.6163.3-158.900111S405 E411 E412 E413S405-E409 PolarHBondContact O-N 2.89Å; E409-E411 VanDerWaalsContact C-N 3.29Å; E409-E411 PolarHBondContact O-N 3.13Å; E409-E412 PolarHBondContact O-N 3.16Å; E409-E413 PolarHBondContact O-N 2.88Å
410G74.8Confident85.8Confident3 Ų367 Ų673%0.03132%0.323CS..Hα-helixtrans-61.3-31.7175.400000115R406 M407 K408 K414 K416R406-G410 PolarHBondContact O-N 3.43Å; R406-G410 VanDerWaalsContact O-N 3.13Å; M407-G410 PolarHBondContact O-N 3.42Å; K408-G410 VanDerWaalsContact C-N 3.26Å; K408-G410 PolarHBondContact O-N 3.48Å; G410-K414 WeakPolarHBondContact O-CB 3.1Å; G410-K414 PolarHBondContact O-N 3.03Å; G410-K416 PolarHBondContact O-NZ 3.31Å
411E78.1Confident86.1Confident87 Ų8764.4 Ų64.441%0.40731%0.306SS..Hα-helixtrans-66.6-42.3177.1-177.4176.2177.500111S344 M407 K408 E409 K416 A486S344-E411 PolarHBondContact OG-N 3.1Å; M407-E411 PolarHBondContact O-N 3.47Å; K408-E411 WeakPolarHBondContact O-CB 3.48Å; K408-E411 PolarHBondContact O-N 3.44Å; K408-E411 VanDerWaalsContact O-N 3.08Å; E409-E411 VanDerWaalsContact C-N 3.29Å; E409-E411 PolarHBondContact O-N 3.13Å; E411-K416 PolarHBondContact O-NZ 3.22Å; E411-A486 VanDerWaalsContact O-CB 3.26Å; E411-A486 WeakPolarHBondContact O-CB 3.3Å
412E76.9Confident86.6Confident134 Ų13458 Ų5863%0.62628%0.282SS*.Hα-helixtrans-84.8-35.5-172-65.8179.3-171.900113.5K408 E409 A486K408-E412 PolarHBondContact O-N 2.93Å; E409-E412 PolarHBondContact O-N 3.16Å; E412-A486 WeakPolarHBondContact O-CB 3.42Å
413E81.6Confident87.3Confident139 Ų13955.5 Ų55.565%0.6527%0.266SS*.Hα-helixtrans-108.3-35.4-168.9-61.2-176.8171.300114E409E409-E413 PolarHBondContact O-N 2.88Å
414K86.4Confident88Confident84 Ų8454.4 Ų54.437%0.36526%0.258SS..SBendtrans-80.4148.6-167.4-61.9-65.5-177.3176.60112.8G410 K416 D524 V525G410-K414 WeakPolarHBondContact O-CB 3.1Å; G410-K414 PolarHBondContact O-N 3.03Å; K414-K416 WeakPolarHBondContact O-CD 3.34Å; K414-K416 WeakPolarHBondContact O-CE 3.24Å; K414-K416 PolarHBondContact O-NZ 2.99Å; K414-D524 VanDerWaalsContact CB-O 3.23Å; K414-D524 WeakPolarHBondContact CB-O 3.48Å; K414-D524 WeakPolarHBondContact CD-O 3.43Å; K414-D524 VanDerWaalsContact CG-O 3.28Å; K414-D524 WeakPolarHBondContact CG-O 3.37Å; K414-V525 HydrophobicContact CB-CG2 3.87Å; K414-V525 HydrophobicContact CG-CG2 3.97Å
415T93.3Very high89Confident28 Ų2857.8 Ų57.817%0.17227%0.273CS..  trans-70.5157.417847.60000111.9K483 T484 D524T415-K483 WeakPolarHBondContact OG1-CE 2.88Å; T415-T484 VanDerWaalsContact CA-O 3.26Å; T415-T484 WeakPolarHBondContact CA-O 3.25Å; T415-T484 WeakPolarHBondContact CB-O 3.22Å; T415-D524 WeakPolarHBondContact O-CB 3.28Å; T415-D524 PolarHBondContact O-N 3.15Å; T415-D524 VanDerWaalsContact O-N 3.1Å; T415-D524 PolarHBondContact OG1-OD2 3.02Å
416K95.2Very high89.8Confident10 Ų1060.4 Ų60.44%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-129.6143.9172.9-70.992.5-171.3159.10108.7G410 E411 K414 Y418 T484 S522 V523G410-K416 PolarHBondContact O-NZ 3.31Å; E411-K416 PolarHBondContact O-NZ 3.22Å; K414-K416 WeakPolarHBondContact O-CD 3.34Å; K414-K416 WeakPolarHBondContact O-CE 3.24Å; K414-K416 PolarHBondContact O-NZ 2.99Å; K416-Y418 HydrophobicContact CB-CD2 4.49Å; K416-Y418 HydrophobicContact CB-CE2 3.52Å; K416-Y418 WeakPolarHBondContact CB-OH 3.35Å; K416-T484 PolarHBondContact N-O 2.94Å; K416-T484 PolarHBondContact O-N 3.19Å; K416-S522 WeakPolarHBondContact CA-O 3.05Å; K416-V523 HydrophobicContact CG-CG1 4.47Å; K416-V523 HydrophobicContact CG-CG2 4.4Å
417S97.7Very high90.8Very high26 Ų2658.5 Ų58.518%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-111.9143.7174.3-73.80000111.6L482 E521 S522S417-L482 CarbonylContact C-O 3.55Å; S417-L482 WeakPolarHBondContact CA-O 3.36Å; S417-E521 PolarHBondContact O-N 3.05Å; S417-S522 WeakPolarHBondContact CB-OG 3.36Å; S417-S522 PolarHBondContact N-O 3.45Å; S417-S522 PolarHBondContact O-N 2.64Å
418Y98.6Very high91.6Very high29 Ų2958.8 Ų58.811%0.11428%0.282CS..EExtended strand (participates in β ladder)trans-138156-174.5-54.3-94.2000111.4K416 G481 L482 T484 I490 L518 D519 V520K416-Y418 HydrophobicContact CB-CD2 4.49Å; K416-Y418 HydrophobicContact CB-CE2 3.52Å; K416-Y418 WeakPolarHBondContact CB-OH 3.35Å; Y418-G481 CarbonylContact O-C 3.53Å; Y418-G481 WeakPolarHBondContact O-CA 3.28Å; Y418-L482 PolarHBondContact N-O 3.4Å; Y418-L482 PolarHBondContact O-N 2.93Å; Y418-T484 HydrophobicContact CD2-CG2 4.38Å; Y418-T484 HydrophobicContact CE2-CG2 4.42Å; Y418-I490 HydrophobicContact CD1-CG1 4.01Å; Y418-I490 HydrophobicContact CD2-CD1 3.72Å; Y418-I490 HydrophobicContact CD2-CG1 3.82Å; Y418-I490 HydrophobicContact CE1-CG1 4Å; Y418-I490 HydrophobicContact CE2-CD1 3.7Å; Y418-I490 HydrophobicContact CE2-CG1 3.83Å; Y418-I490 HydrophobicContact CG-CD1 4.29Å; Y418-I490 HydrophobicContact CG-CG1 3.91Å; Y418-L518 HydrophobicContact CD1-CD1 4.13Å; Y418-L518 HydrophobicContact CG-CD1 4.4Å; Y418-D519 CarbonylContact C-O 3.59Å; Y418-D519 WeakPolarHBondContact CA-O 3.37Å; Y418-D519 WeakPolarHBondContact CB-O 3.5Å; Y418-V520 HydrophobicContact CD1-CB 4.45Å; Y418-V520 HydrophobicContact CD1-CG2 3.97Å; Y418-V520 HydrophobicContact CE1-CG1 4.49Å; Y418-V520 HydrophobicContact CE1-CG2 3.78Å
419T98.6Very high92.6Very high36 Ų3658.5 Ų58.522%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-126126.5164.4-66.60000108.9Y479 L480 L518 D519T419-Y479 HydrophobicContact CG2-CD1 3.79Å; T419-L480 WeakPolarHBondContact CA-O 3.34Å; T419-L518 WeakPolarHBondContact O-CA 3.48Å; T419-D519 PolarHBondContact N-O 3.06Å; T419-D519 PolarHBondContact O-N 2.92Å
420A98.8Very high93.4Very high0 Ų057.5 Ų57.50%028%0.281CS..EExtended strand (participates in β ladder)trans-114.7138.6177.200000110.4V422 Y479 L480 I515 E517 L518A420-V422 HydrophobicContact CB-CG2 4.2Å; A420-Y479 CarbonylContact O-C 3.39Å; A420-Y479 VanDerWaalsContact O-CA 3.29Å; A420-Y479 WeakPolarHBondContact O-CA 3.47Å; A420-L480 HydrophobicContact CB-CB 4.45Å; A420-L480 PolarHBondContact N-O 3.05Å; A420-L480 PolarHBondContact O-N 3Å; A420-I515 HydrophobicContact CB-CD1 3.69Å; A420-I515 HydrophobicContact CB-CG1 4.12Å; A420-E517 CarbonylContact C-O 3.2Å; A420-E517 VanDerWaalsContact CA-O 3.24Å; A420-E517 WeakPolarHBondContact CA-O 3.11Å; A420-L518 HydrophobicContact CB-CD1 4.13Å
421L98.8Very high94.4Very high24 Ų2463.3 Ų63.313%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-88.9117162.6179.561.4000107.8H477 Y479 L516 E517L421-H477 HydrophobicContact CD1-CB 4.33Å; L421-Y479 HydrophobicContact CB-CD1 4.26Å; L421-Y479 HydrophobicContact CB-CE1 3.97Å; L421-Y479 HydrophobicContact CD1-CD1 4.28Å; L421-Y479 HydrophobicContact CD1-CE1 4Å; L421-Y479 HydrophobicContact CD1-CE2 4.25Å; L421-Y479 HydrophobicContact CG-CE1 4.47Å; L421-L516 HydrophobicContact CB-CB 4.4Å; L421-L516 HydrophobicContact CD2-CB 4.12Å; L421-L516 HydrophobicContact CD2-CD1 4.14Å; L421-L516 HydrophobicContact CG-CB 4.18Å; L421-L516 HydrophobicContact CG-CD1 4.27Å; L421-L516 PolarHBondContact O-N 3.44Å; L421-E517 HydrophobicContact CB-CB 3.92Å; L421-E517 HydrophobicContact CD2-CG 4.45Å; L421-E517 PolarHBondContact N-O 3.43Å
422V98.9Very high95.3Very high0 Ų063.1 Ų63.10%031%0.309CS..EExtended strand (participates in β ladder)trans-108135.5-174.8179.40000109.5A420 H477 F478 L480 V494 L505 D514A420-V422 HydrophobicContact CB-CG2 4.2Å; V422-H477 VanDerWaalsContact O-CA 3.3Å; V422-H477 WeakPolarHBondContact O-CA 3.4Å; V422-F478 HydrophobicContact CB-CD1 4.18Å; V422-F478 HydrophobicContact CB-CE1 3.8Å; V422-F478 HydrophobicContact CB-CE2 4.28Å; V422-F478 HydrophobicContact CB-CZ 3.87Å; V422-F478 HydrophobicContact CG1-CD1 4.35Å; V422-F478 HydrophobicContact CG1-CE1 3.58Å; V422-F478 HydrophobicContact CG1-CZ 3.74Å; V422-F478 HydrophobicContact CG2-CE2 4.4Å; V422-F478 HydrophobicContact CG2-CZ 4.29Å; V422-F478 PolarHBondContact N-O 2.66Å; V422-F478 PolarHBondContact O-N 3.15Å; V422-L480 HydrophobicContact CG2-CB 3.92Å; V422-L480 HydrophobicContact CG2-CD2 4.26Å; V422-V494 HydrophobicContact CG1-CG1 4.01Å; V422-V494 HydrophobicContact CG2-CG1 4.1Å; V422-V494 HydrophobicContact CG2-CG2 4.38Å; V422-L505 HydrophobicContact CG1-CD2 3.8Å; V422-L505 HydrophobicContact CG2-CD2 4.17Å; V422-D514 WeakPolarHBondContact CA-O 3.08Å
423W98.8Very high96.3Very high86 Ų8656.8 Ų56.833%0.32628%0.279SS..EExtended strand (participates in β ladder)trans-99.6145.4168.2170.382.5000110.7Q425 H476 H477 T513 D514 L516W423-Q425 VanDerWaalsContact CH2-CA 3.44Å; W423-Q425 HydrophobicContact CH2-CB 3.58Å; W423-Q425 HydrophobicContact CH2-CG 4.04Å; W423-Q425 HydrophobicContact CZ2-CB 4.14Å; W423-Q425 HydrophobicContact CZ3-CB 4.1Å; W423-H476 CarbonylContact C-O 3.55Å; W423-H476 VanDerWaalsContact CA-O 3.28Å; W423-H476 WeakPolarHBondContact CA-O 3.41Å; W423-H477 AromaticContact CD1-NE2 3.55Å; W423-T513 CarbonylContact O-C 3.55Å; W423-T513 WeakPolarHBondContact O-CA 3.48Å; W423-T513 WeakPolarHBondContact O-CB 3.37Å; W423-D514 HydrophobicContact CE3-CB 4Å; W423-D514 PolarHBondContact N-O 3.36Å; W423-D514 PolarHBondContact O-N 3.22Å; W423-L516 HydrophobicContact CB-CD1 4.1Å; W423-L516 HydrophobicContact CB-CD2 4.1Å; W423-L516 HydrophobicContact CB-CG 4.02Å
424T98.8Very high97Very high0 Ų052.5 Ų52.50%027%0.265CS..EExtended strand (participates in β ladder)trans-122.4138.8173.663.50000111.9K426 I428 H476 F478 L509 T511 T513T424-K426 PolarHBondContact OG1-O 2.9Å; T424-I428 HydrophobicContact CG2-CD1 4.12Å; T424-I428 HydrophobicContact CG2-CG2 4.31Å; T424-H476 PolarHBondContact N-O 3.09Å; T424-H476 PolarHBondContact O-ND1 3.25Å; T424-F478 HydrophobicContact CG2-CD1 4.24Å; T424-F478 HydrophobicContact CG2-CE1 3.73Å; T424-L509 HydrophobicContact CG2-CD1 4.4Å; T424-T511 HydrophobicContact CG2-CG2 4.43Å; T424-T513 HydrophobicContact CG2-CG2 4.07Å
425Q98.4Very high97.6Very high106 Ų10652.2 Ų52.250%0.49526%0.264SS..SBendtrans-65.9-47.3176.7-173.8-166.929.100112.5W423 H476 D512W423-Q425 VanDerWaalsContact CH2-CA 3.44Å; W423-Q425 HydrophobicContact CH2-CB 3.58Å; W423-Q425 HydrophobicContact CH2-CG 4.04Å; W423-Q425 HydrophobicContact CZ2-CB 4.14Å; W423-Q425 HydrophobicContact CZ3-CB 4.1Å; Q425-H476 PolarHBondContact O-CE1 3.41Å; Q425-D512 HydrophobicContact CB-CB 4.01Å; Q425-D512 PolarHBondContact N-O 2.94Å; Q425-D512 PolarHBondContact OE1-OD2 3.42Å
426K98.1Very high97.8Very high121 Ų12150.9 Ų50.953%0.52626%0.256SS..SBendtrans-81.9148.9174-66.6178.4-173.5165.10110.2T424 K510 T511T424-K426 PolarHBondContact OG1-O 2.9Å; K426-K510 PolarHBondContact NZ-O 3.08Å; K426-K510 VanDerWaalsContact NZ-O 3.08Å; K426-T511 PolarHBondContact N-OG1 2.63Å; K426-T511 VanDerWaalsContact N-OG1 3.12Å
427S98Very high97.9Very high79 Ų7953 Ų5355%0.55227%0.268SS*.  trans-60.5137.4168.8-175.10000109.6S475S427-S475 CarbonylContact C-O 3.45Å; S427-S475 WeakPolarHBondContact CA-O 3.45Å; S427-S475 WeakPolarHBondContact OG-CB 3.22Å
428I98.1Very high97.9Very high10 Ų1058.2 Ų58.25%0.05129%0.293CS..  trans-124.1151.4178.255.5164.4000110.7T424 D432 I433 F472 S475 F478T424-I428 HydrophobicContact CG2-CD1 4.12Å; T424-I428 HydrophobicContact CG2-CG2 4.31Å; I428-D432 HydrophobicContact CB-CB 4.41Å; I428-I433 HydrophobicContact CD1-CD1 4.5Å; I428-I433 HydrophobicContact CD1-CG2 3.85Å; I428-F472 HydrophobicContact CG1-CE2 4.28Å; I428-F472 WeakPolarHBondContact O-CE2 3.17Å; I428-S475 WeakPolarHBondContact CG1-O 3.29Å; I428-S475 PolarHBondContact N-O 3.3Å; I428-F478 HydrophobicContact CD1-CD1 3.65Å; I428-F478 HydrophobicContact CD1-CE1 4.26Å; I428-F478 HydrophobicContact CD1-CG 4.45Å
429E97.6Very high97.9Very high129 Ų12958.4 Ų58.460%0.60330%0.296SS*.  trans-108.3171.9164.8-63.5-176.2173.800110.2E431 D432E429-E431 VanDerWaalsContact C-N 3.26Å; E429-E431 PolarHBondContact O-N 2.96Å; E429-D432 PolarHBondContact N-OD2 3.4Å; E429-D432 WeakPolarHBondContact O-CB 3.4Å; E429-D432 PolarHBondContact O-N 2.96Å
430N95.8Very high97.8Very high77 Ų7762.2 Ų62.241%0.41231%0.309SS..Hα-helixtrans-63.8-35.8-177.417958.8000111.7D432 I433 S434 F472N430-D432 VanDerWaalsContact C-N 3.3Å; N430-D432 PolarHBondContact O-N 2.92Å; N430-I433 WeakPolarHBondContact O-CG1 3.36Å; N430-I433 PolarHBondContact O-N 3.19Å; N430-S434 PolarHBondContact O-N 3.36Å; N430-S434 VanDerWaalsContact O-N 3.13Å; N430-F472 HydrophobicContact CB-CB 4.21Å; N430-F472 HydrophobicContact CB-CD2 4.36Å; N430-F472 HydrophobicContact CB-CG 4.19Å
431E96.8Very high97.8Very high124 Ų12466.8 Ų66.858%0.57933%0.334SS*.Hα-helixtrans-63.2-36.2178.2-67.966.6-149.400111.7E429 I433 S434E429-E431 VanDerWaalsContact C-N 3.26Å; E429-E431 PolarHBondContact O-N 2.96Å; E431-I433 PolarHBondContact O-N 3.39Å; E431-S434 PolarHBondContact O-N 3.22Å; E431-S434 PolarHBondContact O-OG 3Å
432D97.1Very high97.7Very high84 Ų8467 Ų6745%0.44934%0.335SS..Hα-helixtrans-64-28.5-178.4-67.7-38.4000113.1I428 E429 N430 F435I428-D432 HydrophobicContact CB-CB 4.41Å; E429-D432 PolarHBondContact N-OD2 3.4Å; E429-D432 WeakPolarHBondContact O-CB 3.4Å; E429-D432 PolarHBondContact O-N 2.96Å; N430-D432 VanDerWaalsContact C-N 3.3Å; N430-D432 PolarHBondContact O-N 2.92Å; D432-F435 VanDerWaalsContact O-CD1 3.3Å; D432-F435 WeakPolarHBondContact O-CD1 3.47Å; D432-F435 WeakPolarHBondContact O-CE1 3.49Å
433I97.9Very high97.7Very high0 Ų070.1 Ų70.10%035%0.354CS..Hα-helixtrans-105.2-13.2-178.460.6173.1000112.7I428 N430 E431 F435 I436 V470 F472 F478 L509I428-I433 HydrophobicContact CD1-CD1 4.5Å; I428-I433 HydrophobicContact CD1-CG2 3.85Å; N430-I433 WeakPolarHBondContact O-CG1 3.36Å; N430-I433 PolarHBondContact O-N 3.19Å; E431-I433 PolarHBondContact O-N 3.39Å; I433-F435 VanDerWaalsContact C-N 3.25Å; I433-F435 PolarHBondContact O-N 3.4Å; I433-F435 VanDerWaalsContact O-N 3.16Å; I433-I436 HydrophobicContact CB-CD1 4.35Å; I433-I436 VanDerWaalsContact O-CB 3.32Å; I433-I436 WeakPolarHBondContact O-CB 3.18Å; I433-I436 WeakPolarHBondContact O-CG1 3.21Å; I433-I436 PolarHBondContact O-N 3.17Å; I433-I436 VanDerWaalsContact O-N 3.07Å; I433-V470 HydrophobicContact CB-CG2 4.29Å; I433-V470 HydrophobicContact CD1-CB 4.12Å; I433-V470 HydrophobicContact CD1-CG2 4.11Å; I433-V470 HydrophobicContact CG1-CB 4.47Å; I433-V470 HydrophobicContact CG1-CG2 4Å; I433-V470 WeakPolarHBondContact O-CG2 3.44Å; I433-F472 HydrophobicContact CD1-CB 4.18Å; I433-F472 HydrophobicContact CD1-CD2 4.14Å; I433-F478 HydrophobicContact CD1-CB 3.64Å; I433-F478 HydrophobicContact CD1-CD1 4.43Å; I433-F478 HydrophobicContact CD1-CD2 4.1Å; I433-F478 HydrophobicContact CD1-CG 3.82Å; I433-F478 HydrophobicContact CG2-CD1 4.39Å; I433-F478 HydrophobicContact CG2-CE1 4.33Å; I433-L509 HydrophobicContact CG2-CD1 4.47Å; I433-L509 HydrophobicContact CG2-CD2 4.03Å
434S96.6Very high97.6Very high50 Ų5066 Ų6635%0.3534%0.339SS..Hα-helixtrans-54.6-36.8-174.567.10000114N430 E431 I436 N437N430-S434 PolarHBondContact O-N 3.36Å; N430-S434 VanDerWaalsContact O-N 3.13Å; E431-S434 PolarHBondContact O-N 3.22Å; E431-S434 PolarHBondContact O-OG 3Å; S434-I436 PolarHBondContact O-N 3.21Å; S434-I436 VanDerWaalsContact O-N 3.16Å; S434-N437 WeakPolarHBondContact O-CB 3.3Å; S434-N437 PolarHBondContact O-N 3.2Å; S434-N437 VanDerWaalsContact O-N 3.14Å; S434-N437 PolarHBondContact O-ND2 2.95Å
435F97.9Very high97.6Very high78 Ų7870 Ų7034%0.34236%0.36SS..G310 helixtrans-62.9-22.1-178.679.2-89.2000113.5D432 I433 N437 D438 I439 L508 L509D432-F435 VanDerWaalsContact O-CD1 3.3Å; D432-F435 WeakPolarHBondContact O-CD1 3.47Å; D432-F435 WeakPolarHBondContact O-CE1 3.49Å; I433-F435 VanDerWaalsContact C-N 3.25Å; I433-F435 PolarHBondContact O-N 3.4Å; I433-F435 VanDerWaalsContact O-N 3.16Å; F435-N437 PolarHBondContact O-N 3.37Å; F435-D438 PolarHBondContact O-N 2.96Å; F435-D438 VanDerWaalsContact O-N 3.14Å; F435-I439 HydrophobicContact CD2-CD1 4.13Å; F435-I439 HydrophobicContact CE2-CD1 3.95Å; F435-L508 HydrophobicContact CZ-CB 4.45Å; F435-L509 HydrophobicContact CE1-CD2 3.74Å; F435-L509 HydrophobicContact CZ-CD2 3.93Å
436I97.9Very high97.6Very high0 Ų065.1 Ų65.10%034%0.337CS..G310 helixtrans-60-32.5177.5-67.3172.1000110.7I433 S434 D438 I439 M468 V470 F478 L480 L505 L509I433-I436 HydrophobicContact CB-CD1 4.35Å; I433-I436 VanDerWaalsContact O-CB 3.32Å; I433-I436 WeakPolarHBondContact O-CB 3.18Å; I433-I436 WeakPolarHBondContact O-CG1 3.21Å; I433-I436 PolarHBondContact O-N 3.17Å; I433-I436 VanDerWaalsContact O-N 3.07Å; S434-I436 PolarHBondContact O-N 3.21Å; S434-I436 VanDerWaalsContact O-N 3.16Å; I436-D438 PolarHBondContact O-N 2.98Å; I436-I439 PolarHBondContact O-N 3.46Å; I436-M468 HydrophobicContact CG2-CB 3.65Å; I436-M468 HydrophobicContact CG2-CE 4.06Å; I436-M468 HydrophobicContact CG2-CG 4.47Å; I436-M468 HydrophobicContact CG2-SD 4.14Å; I436-V470 HydrophobicContact CB-CG1 3.85Å; I436-V470 HydrophobicContact CD1-CG1 3.96Å; I436-V470 HydrophobicContact CG1-CG1 4.49Å; I436-V470 HydrophobicContact CG2-CG1 3.74Å; I436-F478 HydrophobicContact CD1-CE2 4.46Å; I436-L480 HydrophobicContact CG2-CD1 3.95Å; I436-L505 HydrophobicContact CD1-CD1 3.84Å; I436-L509 HydrophobicContact CD1-CD1 4.43Å; I436-L509 HydrophobicContact CD1-CD2 3.92Å; I436-L509 HydrophobicContact CD1-CG 4.33Å
437N97.4Very high97.5Very high55 Ų5563.7 Ų63.729%0.29433%0.331SS..G310 helixtrans-60.3-30179.3-63.6-48.9000112.5S434 F435 K440 N469 V470S434-N437 WeakPolarHBondContact O-CB 3.3Å; S434-N437 PolarHBondContact O-N 3.2Å; S434-N437 VanDerWaalsContact O-N 3.14Å; S434-N437 PolarHBondContact O-ND2 2.95Å; F435-N437 PolarHBondContact O-N 3.37Å; N437-K440 PolarHBondContact O-NZ 3.09Å; N437-N469 WeakPolarHBondContact OD1-CA 3.5Å; N437-V470 PolarHBondContact OD1-N 3.04Å
438D97.6Very high97.5Very high134 Ų13460 Ų6072%0.71731%0.305SS*.G310 helixtrans-86.9-11.7-175.9-61.3-38000112.8F435 I436 K440F435-D438 PolarHBondContact O-N 2.96Å; F435-D438 VanDerWaalsContact O-N 3.14Å; I436-D438 PolarHBondContact O-N 2.98Å; D438-K440 PolarHBondContact O-N 2.85Å
439I97.7Very high97.5Very high34 Ų3459.5 Ų59.517%0.17430%0.302CS..  trans-75.1118.6178.1-56175.2000109.5F435 I436 L442 M468 L508F435-I439 HydrophobicContact CD2-CD1 4.13Å; F435-I439 HydrophobicContact CE2-CD1 3.95Å; I436-I439 PolarHBondContact O-N 3.46Å; I439-L442 HydrophobicContact CG2-CB 3.81Å; I439-L442 HydrophobicContact CG2-CD1 4.24Å; I439-L442 HydrophobicContact CG2-CD2 4.28Å; I439-L442 HydrophobicContact CG2-CG 4.33Å; I439-M468 HydrophobicContact CB-CE 3.65Å; I439-M468 HydrophobicContact CD1-CE 3.84Å; I439-M468 HydrophobicContact CG1-CE 4.32Å; I439-M468 HydrophobicContact CG2-CE 3.58Å; I439-L508 HydrophobicContact CD1-CD1 4.23Å; I439-L508 HydrophobicContact CD1-CD2 4.46Å
440K97.2Very high97.5Very high115 Ų11557 Ų5750%0.529%0.293SS..EExtended strand (participates in β ladder)trans-121.6148.7175.7-53.6-58.1175.4-152.20110.8N437 D438 L442 H466N437-K440 PolarHBondContact O-NZ 3.09Å; D438-K440 PolarHBondContact O-N 2.85Å; K440-L442 PolarHBondContact O-N 3.18Å; K440-L442 VanDerWaalsContact O-N 3.12Å; K440-H466 WeakPolarHBondContact CA-O 3.27Å
441D97.7Very high97.4Very high97 Ų9757.3 Ų57.352%0.51929%0.288SS..EExtended strand (participates in β ladder)trans45.345.1177-63.3-53.6000113.7T443 V464 I465 H466D441-T443 PolarHBondContact O-N 3.3Å; D441-T443 VanDerWaalsContact O-N 3.13Å; D441-V464 HydrophobicContact CB-CG1 4.14Å; D441-I465 CarbonylContact C-O 3.54Å; D441-I465 VanDerWaalsContact CA-O 3.23Å; D441-I465 WeakPolarHBondContact CA-O 3.45Å; D441-I465 PolarHBondContact N-O 2.88Å; D441-H466 PolarHBondContact N-O 3.03Å; D441-H466 WeakPolarHBondContact OD1-CA 3.25Å; D441-H466 IonicContact OD1-CE1 3.53Å; D441-H466 IonicContact OD1-CG 3.62Å; D441-H466 IonicContact OD1-ND1 3.88Å; D441-H466 PolarHBondContact OD1-ND1 3.39Å
442L98.2Very high97.3Very high29 Ų2951.7 Ų51.715%0.15226%0.262CS..EExtended strand (participates in β ladder)trans-66.2114.7178.2-177.866.3000109.4I439 K440 L444 V464 I465 M468 F493 P503 L508I439-L442 HydrophobicContact CG2-CB 3.81Å; I439-L442 HydrophobicContact CG2-CD1 4.24Å; I439-L442 HydrophobicContact CG2-CD2 4.28Å; I439-L442 HydrophobicContact CG2-CG 4.33Å; K440-L442 PolarHBondContact O-N 3.18Å; K440-L442 VanDerWaalsContact O-N 3.12Å; L442-L444 HydrophobicContact CD2-CD2 3.73Å; L442-L444 HydrophobicContact CG-CD2 3.73Å; L442-V464 WeakPolarHBondContact O-CA 3.36Å; L442-I465 HydrophobicContact CB-CB 4.35Å; L442-I465 PolarHBondContact N-O 3.32Å; L442-I465 PolarHBondContact O-N 3.41Å; L442-M468 HydrophobicContact CD2-CE 4.02Å; L442-F493 HydrophobicContact CD2-CE2 3.88Å; L442-F493 HydrophobicContact CD2-CZ 4.14Å; L442-P503 HydrophobicContact CD1-CG 3.76Å; L442-P503 HydrophobicContact CD2-CG 4.23Å; L442-P503 HydrophobicContact CG-CG 4.13Å; L442-L508 HydrophobicContact CD2-CD1 4.08Å
443T98.3Very high97.1Very high65 Ų6550.6 Ų50.640%0.39926%0.256SS..EExtended strand (participates in β ladder)trans-87.1130178-60.90000110.3D441 Q462 R463 P503D441-T443 PolarHBondContact O-N 3.3Å; D441-T443 VanDerWaalsContact O-N 3.13Å; T443-Q462 HydrophobicContact CG2-CG 3.47Å; T443-Q462 VanDerWaalsContact CG2-CG 3.47Å; T443-R463 CarbonylContact C-O 3.59Å; T443-R463 WeakPolarHBondContact CA-O 3.33Å; T443-P503 VanDerWaalsContact O-CD 3.3Å; T443-P503 WeakPolarHBondContact O-CD 3.49Å
444L96.9Very high96.7Very high0 Ų057.8 Ų57.80%029%0.289CS..EExtended strand (participates in β ladder)trans-121.3142-175.9-46178.2000110.9L442 Q446 Q462 R463 I465 T488 F493 K502 P503L442-L444 HydrophobicContact CD2-CD2 3.73Å; L442-L444 HydrophobicContact CG-CD2 3.73Å; L444-Q446 HydrophobicContact CB-CG 4.28Å; L444-Q462 CarbonylContact O-C 3.49Å; L444-Q462 WeakPolarHBondContact O-CA 3.46Å; L444-R463 PolarHBondContact N-O 2.7Å; L444-R463 PolarHBondContact O-N 3.33Å; L444-I465 HydrophobicContact CD1-CD1 3.69Å; L444-I465 HydrophobicContact CD1-CG1 3.83Å; L444-I465 HydrophobicContact CG-CG1 4.47Å; L444-T488 HydrophobicContact CD1-CG2 4.35Å; L444-F493 HydrophobicContact CD1-CB 4.35Å; L444-F493 HydrophobicContact CD1-CD2 3.6Å; L444-F493 HydrophobicContact CD1-CE2 4.25Å; L444-F493 HydrophobicContact CD1-CG 4.17Å; L444-F493 HydrophobicContact CD2-CD2 3.93Å; L444-F493 HydrophobicContact CD2-CE2 3.9Å; L444-F493 HydrophobicContact CG-CD2 4.45Å; L444-K502 CarbonylContact C-O 3.43Å; L444-K502 WeakPolarHBondContact CA-O 3.37Å; L444-P503 HydrophobicContact CD2-CG 3.79Å; L444-P503 WeakPolarHBondContact CD2-O 3.34Å
445D98.2Very high96.2Very high83 Ų8362 Ų6244%0.44430%0.298SS..EExtended strand (participates in β ladder)trans-98.7108.3162-70.4-37.2000109.6I460 T501 K502D445-I460 HydrophobicContact CB-CG2 4.02Å; D445-T501 WeakPolarHBondContact O-CA 3.44Å; D445-K502 PolarHBondContact N-O 2.94Å; D445-K502 PolarHBondContact O-N 3.26Å
446Q98.1Very high95.8Very high4 Ų465.8 Ų65.82%0.01931%0.31CS..EExtended strand (participates in β ladder)trans-105.6114.5177.2-62.9-160-74.600110.8L444 R461 Y489 T501L444-Q446 HydrophobicContact CB-CG 4.28Å; Q446-R461 PolarHBondContact N-O 2.95Å; Q446-R461 PolarHBondContact O-N 2.61Å; Q446-Y489 PolarHBondContact NE2-O 3.27Å; Q446-T501 HydrophobicContact CG-CG2 3.8Å; Q446-T501 PolarHBondContact NE2-OG1 3.33Å
447K97.9Very high95.6Very high90 Ų9069.5 Ų69.539%0.39134%0.341SS..EExtended strand (participates in β ladder)trans-69.5146.8163.3-59.5-173.7177.3-178.80109.3P449 A459 I460 R500K447-P449 WeakPolarHBondContact O-CD 3.35Å; K447-A459 CarbonylContact C-O 3.54Å; K447-A459 WeakPolarHBondContact CA-O 3.45Å; K447-I460 HydrophobicContact CG-CD1 4.24Å; K447-I460 HydrophobicContact CG-CG1 4.05Å; K447-R500 HydrophobicContact CB-CB 4.18Å; K447-R500 WeakPolarHBondContact CB-O 3.39Å; K447-R500 HydrophobicContact CD-CB 4.32Å; K447-R500 HydrophobicContact CD-CG 4.49Å; K447-R500 WeakPolarHBondContact CG-O 3.25Å; K447-R500 PolarHBondContact N-O 3.48Å
448T97Very high95.5Very high1 Ų172.8 Ų72.81%0.00636%0.358CS..  trans-46.5115.7173.5-61.60000110V452 L453 R456 A457 A459 R461 R500T448-V452 HydrophobicContact CG2-CG2 3.7Å; T448-L453 HydrophobicContact CG2-CD2 3.79Å; T448-L453 WeakPolarHBondContact O-CD2 3.35Å; T448-R456 HydrophobicContact CG2-CB 3.72Å; T448-A457 PolarHBondContact OG1-O 3.33Å; T448-A459 PolarHBondContact N-O 3.18Å; T448-A459 PolarHBondContact OG1-N 3.24Å; T448-A459 VanDerWaalsContact OG1-N 3.11Å; T448-A459 PolarHBondContact OG1-O 3.19Å; T448-R461 PolarHBondContact OG1-NH1 3.32Å; T448-R500 PolarHBondContact O-NH1 3.16Å; T448-R500 PolarHBondContact O-NH2 3.25Å
449P97.8Very high95.5Very high0 Ų068.1 Ų68.10%034%0.338CS..  trans-53.8145.8-171.9-32.637000115K447 R451 V452 L453 Y489 E492K447-P449 WeakPolarHBondContact O-CD 3.35Å; P449-R451 VanDerWaalsContact C-N 3.29Å; P449-R451 HydrophobicContact CB-CG 4.29Å; P449-R451 PolarHBondContact O-N 2.98Å; P449-V452 HydrophobicContact CB-CG2 4.07Å; P449-V452 HydrophobicContact CG-CG2 4.33Å; P449-V452 WeakPolarHBondContact O-CG2 3.34Å; P449-V452 PolarHBondContact O-N 3.42Å; P449-L453 WeakPolarHBondContact O-CG 3.33Å; P449-L453 PolarHBondContact O-N 3.34Å; P449-Y489 HydrophobicContact CG-CD1 3.6Å; P449-Y489 HydrophobicContact CG-CD2 3.68Å; P449-Y489 HydrophobicContact CG-CE1 3.91Å; P449-Y489 HydrophobicContact CG-CE2 4Å; P449-Y489 HydrophobicContact CG-CG 3.47Å; P449-Y489 VanDerWaalsContact CG-CG 3.47Å; P449-E492 HydrophobicContact CB-CG 3.71Å; P449-E492 WeakPolarHBondContact CB-OE1 3.32Å; P449-E492 HydrophobicContact CG-CG 3.77Å
450L97.1Very high95.4Very high77 Ų7771.6 Ų71.640%0.40336%0.355SS..G310 helixtrans-52.7-47.3-177.8-75.7177.8000112.1V452 L453 D497 F498 R500L450-V452 PolarHBondContact O-N 2.8Å; L450-L453 HydrophobicContact CD2-CD1 3.62Å; L450-L453 WeakPolarHBondContact O-CB 3.32Å; L450-L453 PolarHBondContact O-N 3.28Å; L450-L453 VanDerWaalsContact O-N 3.12Å; L450-D497 PolarHBondContact N-OD2 3.27Å; L450-F498 HydrophobicContact CD1-CD2 3.72Å; L450-F498 HydrophobicContact CD1-CE2 4.08Å; L450-R500 VanDerWaalsContact N-NH1 3.13Å
451R95.1Very high95.4Very high83 Ų8370 Ų7031%0.31335%0.346SS..G310 helixtrans-63.1-10.8-179.670.7-179-178.198.1-5.9115.1D348 P449 H454 E492D348-R451 IonicContact OD1-CZ 3.28Å; D348-R451 IonicContact OD1-NH1 3.23Å; D348-R451 PolarHBondContact OD1-NH1 3.03Å; D348-R451 IonicContact OD1-NH2 2.93Å; D348-R451 IonicContact OD2-CZ 3.63Å; D348-R451 IonicContact OD2-NH1 3.11Å; D348-R451 PolarHBondContact OD2-NH1 3.47Å; D348-R451 IonicContact OD2-NH2 3.76Å; D348-R451 PolarHBondContact OD2-NH2 2.9Å; P449-R451 VanDerWaalsContact C-N 3.29Å; P449-R451 HydrophobicContact CB-CG 4.29Å; P449-R451 PolarHBondContact O-N 2.98Å; R451-H454 PolarHBondContact O-CE1 3.24Å; R451-H454 PolarHBondContact O-ND1 2.91Å; R451-E492 WeakPolarHBondContact CD-OE1 3.44Å; R451-E492 IonicContact CZ-OE1 3.16Å; R451-E492 IonicContact NE-OE1 3Å; R451-E492 PolarHBondContact NE-OE1 2.62Å; R451-E492 IonicContact NE-OE2 3.29Å; R451-E492 IonicContact NH2-OE1 2.84Å; R451-E492 IonicContact NH2-OE2 2.85Å
452V94.2Very high95.3Very high6 Ų671.5 Ų71.54%0.03635%0.35CS..G310 helixtrans-118.51.5177.4-46.10000113.5T448 P449 L450 H454 R455 R456T448-V452 HydrophobicContact CG2-CG2 3.7Å; P449-V452 HydrophobicContact CB-CG2 4.07Å; P449-V452 HydrophobicContact CG-CG2 4.33Å; P449-V452 WeakPolarHBondContact O-CG2 3.34Å; P449-V452 PolarHBondContact O-N 3.42Å; L450-V452 PolarHBondContact O-N 2.8Å; V452-H454 VanDerWaalsContact C-N 3.25Å; V452-H454 PolarHBondContact O-N 3.29Å; V452-R455 HydrophobicContact CB-CG 4.1Å; V452-R455 WeakPolarHBondContact O-CG 3.41Å; V452-R455 PolarHBondContact O-N 3.23Å; V452-R456 HydrophobicContact CB-CG 4.45Å; V452-R456 HydrophobicContact CG2-CB 4.35Å; V452-R456 HydrophobicContact CG2-CG 4.23Å; V452-R456 PolarHBondContact O-N 3.21Å
453L92.3Very high95.3Very high61 Ų6172.5 Ų72.532%0.31935%0.352SS..THydrogen-bonded Turntrans-61.6-31.1-179.1-76.6177.9000113.7T448 P449 L450 R455 L458T448-L453 HydrophobicContact CG2-CD2 3.79Å; T448-L453 WeakPolarHBondContact O-CD2 3.35Å; P449-L453 WeakPolarHBondContact O-CG 3.33Å; P449-L453 PolarHBondContact O-N 3.34Å; L450-L453 HydrophobicContact CD2-CD1 3.62Å; L450-L453 WeakPolarHBondContact O-CB 3.32Å; L450-L453 PolarHBondContact O-N 3.28Å; L450-L453 VanDerWaalsContact O-N 3.12Å; L453-R455 PolarHBondContact O-N 3.49Å; L453-R455 VanDerWaalsContact O-N 3.15Å; L453-L458 HydrophobicContact CD2-CB 4.27Å; L453-L458 HydrophobicContact CD2-CD1 3.85Å
454H89.4Confident95.3Very high151 Ų15170.5 Ų70.570%0.69934%0.34SS*.THydrogen-bonded Turntrans-65.1-16176.864.6-92.3000113.4R451 V452R451-H454 PolarHBondContact O-CE1 3.24Å; R451-H454 PolarHBondContact O-ND1 2.91Å; V452-H454 VanDerWaalsContact C-N 3.25Å; V452-H454 PolarHBondContact O-N 3.29Å
455R87.2Confident95.4Very high139 Ų13970.6 Ų70.653%0.52534%0.34SS..THydrogen-bonded Turntrans-125.4-10.4-173.549.9-179.4166.4166.6-4.2114.1V452 L453V452-R455 HydrophobicContact CB-CG 4.1Å; V452-R455 WeakPolarHBondContact O-CG 3.41Å; V452-R455 PolarHBondContact O-N 3.23Å; L453-R455 PolarHBondContact O-N 3.49Å; L453-R455 VanDerWaalsContact O-N 3.15Å
456R89.5Confident95.4Very high157 Ų15769.3 Ų69.359%0.59233%0.331SS*.SBendtrans-135.1138.6-177.2-64.2-66.2-166.7-173.82.7109.8T448 V452T448-R456 HydrophobicContact CG2-CB 3.72Å; V452-R456 HydrophobicContact CB-CG 4.45Å; V452-R456 HydrophobicContact CG2-CB 4.35Å; V452-R456 HydrophobicContact CG2-CG 4.23Å; V452-R456 PolarHBondContact O-N 3.21Å
457A93.3Very high95.4Very high79 Ų7971 Ų7165%0.65334%0.344SS*.  trans-57.8141.4174.100000111.4T448 A459T448-A457 PolarHBondContact OG1-O 3.33Å; A457-A459 PolarHBondContact O-N 3.35Å
458L95.9Very high95.4Very high124 Ų12467 Ų6765%0.64933%0.326SS*.  trans-65.6118.9172.7179.265.5000109.2L453L453-L458 HydrophobicContact CD2-CB 4.27Å; L453-L458 HydrophobicContact CD2-CD1 3.85Å
459A96.1Very high95.4Very high36 Ų3671.4 Ų71.430%0.29835%0.35SS..  trans-150.7155.5175.500000109.4K447 T448 A457K447-A459 CarbonylContact C-O 3.54Å; K447-A459 WeakPolarHBondContact CA-O 3.45Å; T448-A459 PolarHBondContact N-O 3.18Å; T448-A459 PolarHBondContact OG1-N 3.24Å; T448-A459 VanDerWaalsContact OG1-N 3.11Å; T448-A459 PolarHBondContact OG1-O 3.19Å; A457-A459 PolarHBondContact O-N 3.35Å
460I96.5Very high95.5Very high106 Ų10672.4 Ų72.454%0.54436%0.356SS..EExtended strand (participates in β ladder)trans-98.1130.2168.9-43.4-164.3000107.2D445 K447D445-I460 HydrophobicContact CB-CG2 4.02Å; K447-I460 HydrophobicContact CG-CD1 4.24Å; K447-I460 HydrophobicContact CG-CG1 4.05Å
461R95.9Very high95.5Very high83 Ų8376.1 Ų76.131%0.31336%0.364SS..EExtended strand (participates in β ladder)trans-125.4125.9178.6-64.7-177.4-172.578.22.6109Q446 T448Q446-R461 PolarHBondContact N-O 2.95Å; Q446-R461 PolarHBondContact O-N 2.61Å; T448-R461 PolarHBondContact OG1-NH1 3.32Å
462Q97.4Very high95.7Very high127 Ų12775.7 Ų75.759%0.59337%0.365SS*.EExtended strand (participates in β ladder)trans-73.8132.7171.1-162.3177.336.100109.2T443 L444T443-Q462 HydrophobicContact CG2-CG 3.47Å; T443-Q462 VanDerWaalsContact CG2-CG 3.47Å; L444-Q462 CarbonylContact O-C 3.49Å; L444-Q462 WeakPolarHBondContact O-CA 3.46Å
463R97.1Very high95.9Very high50 Ų5078.6 Ų78.619%0.18938%0.383CS..EExtended strand (participates in β ladder)trans-135.4158.7-179.1-68.9-65.8176.7-105.717.5109.9T443 L444 A486 G487 T488T443-R463 CarbonylContact C-O 3.59Å; T443-R463 WeakPolarHBondContact CA-O 3.33Å; L444-R463 PolarHBondContact N-O 2.7Å; L444-R463 PolarHBondContact O-N 3.33Å; R463-A486 PolarHBondContact NE-O 3.39Å; R463-G487 PolarHBondContact NE-O 3.07Å; R463-T488 HydrophobicContact CB-CG2 4.26Å
464V98Very high96.2Very high24 Ų2478.6 Ų78.615%0.14538%0.383CS..EExtended strand (participates in β ladder)trans-123.9132.1179.5-178.50000109.8D441 L442 Q485D441-V464 HydrophobicContact CB-CG1 4.14Å; L442-V464 WeakPolarHBondContact O-CA 3.36Å; V464-Q485 HydrophobicContact CB-CB 4.43Å; V464-Q485 WeakPolarHBondContact O-CB 3.32Å; V464-Q485 PolarHBondContact O-N 3.16Å
465I98.5Very high96.6Very high1 Ų173.9 Ų73.91%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-98.8107.7162.4-60.6-177.4000106.8D441 L442 L444 M468 L482 K483 T484 F493D441-I465 CarbonylContact C-O 3.54Å; D441-I465 VanDerWaalsContact CA-O 3.23Å; D441-I465 WeakPolarHBondContact CA-O 3.45Å; D441-I465 PolarHBondContact N-O 2.88Å; L442-I465 HydrophobicContact CB-CB 4.35Å; L442-I465 PolarHBondContact N-O 3.32Å; L442-I465 PolarHBondContact O-N 3.41Å; L444-I465 HydrophobicContact CD1-CD1 3.69Å; L444-I465 HydrophobicContact CD1-CG1 3.83Å; L444-I465 HydrophobicContact CG-CG1 4.47Å; I465-M468 HydrophobicContact CD1-SD 4.45Å; I465-M468 HydrophobicContact CG2-CG 3.48Å; I465-M468 VanDerWaalsContact CG2-CG 3.48Å; I465-M468 HydrophobicContact CG2-SD 4Å; I465-L482 HydrophobicContact CG2-CD2 4.22Å; I465-K483 CarbonylContact C-O 3.48Å; I465-T484 HydrophobicContact CB-CG2 4.47Å; I465-T484 HydrophobicContact CG1-CG2 3.95Å; I465-T484 HydrophobicContact CG2-CG2 4.33Å; I465-F493 HydrophobicContact CD1-CD1 3.47Å; I465-F493 VanDerWaalsContact CD1-CD1 3.47Å; I465-F493 HydrophobicContact CD1-CD2 3.67Å; I465-F493 HydrophobicContact CD1-CE1 3.43Å; I465-F493 VanDerWaalsContact CD1-CE1 3.43Å; I465-F493 HydrophobicContact CD1-CE2 3.63Å; I465-F493 HydrophobicContact CD1-CG 3.59Å; I465-F493 HydrophobicContact CD1-CZ 3.51Å
466H98.3Very high97.1Very high56 Ų5670.1 Ų70.126%0.25936%0.355SS..EExtended strand (participates in β ladder)trans-67.9-41.6-175-65.2-60.7000112.2K440 D441 K483K440-H466 WeakPolarHBondContact CA-O 3.27Å; D441-H466 PolarHBondContact N-O 3.03Å; D441-H466 WeakPolarHBondContact OD1-CA 3.25Å; D441-H466 IonicContact OD1-CE1 3.53Å; D441-H466 IonicContact OD1-CG 3.62Å; D441-H466 IonicContact OD1-ND1 3.88Å; D441-H466 PolarHBondContact OD1-ND1 3.39Å; H466-K483 PolarHBondContact N-O 3.07Å
467S98.4Very high97.5Very high40 Ų4064.9 Ų64.928%0.2834%0.338SS..EExtended strand (participates in β ladder)trans-152.4152.8177.461.20000111.6K483S467-K483 PolarHBondContact N-O 3.28Å; S467-K483 PolarHBondContact O-N 3.08Å; S467-K483 WeakPolarHBondContact OG-CB 3.5Å
468M98.4Very high97.8Very high5 Ų561.1 Ų61.13%0.02531%0.307CS..EExtended strand (participates in β ladder)trans-129.1153.1171.4-55-169-8300110I436 I439 L442 I465 L480 G481 L482 F493 L508I436-M468 HydrophobicContact CG2-CB 3.65Å; I436-M468 HydrophobicContact CG2-CE 4.06Å; I436-M468 HydrophobicContact CG2-CG 4.47Å; I436-M468 HydrophobicContact CG2-SD 4.14Å; I439-M468 HydrophobicContact CB-CE 3.65Å; I439-M468 HydrophobicContact CD1-CE 3.84Å; I439-M468 HydrophobicContact CG1-CE 4.32Å; I439-M468 HydrophobicContact CG2-CE 3.58Å; L442-M468 HydrophobicContact CD2-CE 4.02Å; I465-M468 HydrophobicContact CD1-SD 4.45Å; I465-M468 HydrophobicContact CG2-CG 3.48Å; I465-M468 VanDerWaalsContact CG2-CG 3.48Å; I465-M468 HydrophobicContact CG2-SD 4Å; M468-L480 HydrophobicContact CB-CD1 4.23Å; M468-L480 HydrophobicContact SD-CD1 4.44Å; M468-G481 CarbonylContact C-O 3.53Å; M468-G481 WeakPolarHBondContact CA-O 3.28Å; M468-L482 HydrophobicContact CB-CD2 4.13Å; M468-L482 HydrophobicContact CG-CD2 3.46Å; M468-L482 VanDerWaalsContact CG-CD2 3.46Å; M468-L482 HydrophobicContact SD-CD2 3.64Å; M468-F493 HydrophobicContact CE-CZ 4.36Å; M468-F493 HydrophobicContact SD-CE1 3.79Å; M468-F493 HydrophobicContact SD-CZ 3.68Å; M468-L508 HydrophobicContact CE-CD1 4.5Å
469N97.8Very high97.9Very high94 Ų9458.5 Ų58.550%0.50329%0.289SS..EExtended strand (participates in β ladder)trans-140.6155.3164.565.155.9000110.5N437 L480 G481N437-N469 WeakPolarHBondContact OD1-CA 3.5Å; N469-L480 CarbonylContact O-C 3.43Å; N469-L480 WeakPolarHBondContact O-CA 3.23Å; N469-G481 PolarHBondContact N-O 3.48Å; N469-G481 PolarHBondContact O-N 3.1Å; N469-G481 WeakPolarHBondContact OD1-CA 3.31Å; N469-G481 PolarHBondContact OD1-N 3.33Å
470V98.3Very high98.1Very high21 Ų2156.8 Ų56.813%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-125.2146.2178.8-63.80000112.2I433 I436 N437 F478 Y479 L480I433-V470 HydrophobicContact CB-CG2 4.29Å; I433-V470 HydrophobicContact CD1-CB 4.12Å; I433-V470 HydrophobicContact CD1-CG2 4.11Å; I433-V470 HydrophobicContact CG1-CB 4.47Å; I433-V470 HydrophobicContact CG1-CG2 4Å; I433-V470 WeakPolarHBondContact O-CG2 3.44Å; I436-V470 HydrophobicContact CB-CG1 3.85Å; I436-V470 HydrophobicContact CD1-CG1 3.96Å; I436-V470 HydrophobicContact CG1-CG1 4.49Å; I436-V470 HydrophobicContact CG2-CG1 3.74Å; N437-V470 PolarHBondContact OD1-N 3.04Å; V470-F478 HydrophobicContact CB-CD2 4.11Å; V470-F478 HydrophobicContact CG1-CD2 3.84Å; V470-F478 HydrophobicContact CG1-CE2 3.77Å; V470-Y479 CarbonylContact C-O 3.55Å; V470-Y479 VanDerWaalsContact CA-O 3.28Å; V470-Y479 WeakPolarHBondContact CA-O 3.47Å; V470-L480 HydrophobicContact CG1-CD1 3.94Å
471R98.3Very high98.2Very high155 Ų15552 Ų5259%0.58525%0.251SS*.EExtended strand (participates in β ladder)trans-131.2109.4168.9-178.9179.972.5134.3-1.7108.9F478 Y479R471-F478 WeakPolarHBondContact O-CA 3.03Å; R471-Y479 PolarHBondContact N-O 3.14Å; R471-Y479 PolarHBondContact O-N 3.02Å
472F98.4Very high98.3Very high74 Ų7448.4 Ų48.433%0.32524%0.238SC..EExtended strand (participates in β ladder)trans-56.8142.5176-175.3-98.7000111.4I428 N430 I433 D474I428-F472 HydrophobicContact CG1-CE2 4.28Å; I428-F472 WeakPolarHBondContact O-CE2 3.17Å; N430-F472 HydrophobicContact CB-CB 4.21Å; N430-F472 HydrophobicContact CB-CD2 4.36Å; N430-F472 HydrophobicContact CB-CG 4.19Å; I433-F472 HydrophobicContact CD1-CB 4.18Å; I433-F472 HydrophobicContact CD1-CD2 4.14Å; F472-D474 WeakPolarHBondContact CE2-O 3.37Å; F472-D474 VanDerWaalsContact CZ-O 3.23Å; F472-D474 WeakPolarHBondContact CZ-O 3.1Å
473V98.3Very high98.3Very high67 Ų6746 Ų4641%0.40623%0.226SC..EExtended strand (participates in β ladder)trans-119.5-59.5175.8177.40000109.7H477 Y479V473-H477 HydrophobicContact CB-CB 4.16Å; V473-H477 WeakPolarHBondContact CB-O 3.46Å; V473-H477 HydrophobicContact CG1-CB 4.44Å; V473-H477 PolarHBondContact N-O 2.93Å; V473-Y479 HydrophobicContact CG2-CD2 3.47Å; V473-Y479 VanDerWaalsContact CG2-CD2 3.47Å; V473-Y479 HydrophobicContact CG2-CE2 3.6Å
474D98.2Very high98.4Very high61 Ų6143.6 Ų43.633%0.32622%0.217SC..EExtended strand (participates in β ladder)trans-154.8-174.5177.964.954.1000110.5F472 H476 H477F472-D474 WeakPolarHBondContact CE2-O 3.37Å; F472-D474 VanDerWaalsContact CZ-O 3.23Å; F472-D474 WeakPolarHBondContact CZ-O 3.1Å; D474-H476 PolarHBondContact O-N 2.86Å; D474-H476 PolarHBondContact OD1-N 3.43Å; D474-H477 VanDerWaalsContact CG-ND1 3.29Å; D474-H477 PolarHBondContact N-O 3.46Å; D474-H477 VanDerWaalsContact N-O 3.14Å; D474-H477 PolarHBondContact O-N 2.97Å; D474-H477 VanDerWaalsContact O-O 3.1Å; D474-H477 IonicContact OD1-CE1 3.87Å; D474-H477 IonicContact OD1-CG 3.56Å; D474-H477 PolarHBondContact OD1-N 3.42Å; D474-H477 VanDerWaalsContact OD1-N 3.07Å; D474-H477 IonicContact OD1-ND1 2.82Å; D474-H477 PolarHBondContact OD1-ND1 3.41Å; D474-H477 IonicContact OD2-CG 3.76Å; D474-H477 IonicContact OD2-ND1 3Å; D474-H477 PolarHBondContact OD2-ND1 3.39Å
475S98.1Very high98.3Very high53 Ų5345.5 Ų45.537%0.37122%0.224SC..THydrogen-bonded Turntrans-61.2-13.6-174.5670000114.9S427 I428S427-S475 CarbonylContact C-O 3.45Å; S427-S475 WeakPolarHBondContact CA-O 3.45Å; S427-S475 WeakPolarHBondContact OG-CB 3.22Å; I428-S475 WeakPolarHBondContact CG1-O 3.29Å; I428-S475 PolarHBondContact N-O 3.3Å
476H98.6Very high97.9Very high60 Ų6045.7 Ų45.728%0.27823%0.226SC..THydrogen-bonded Turntrans-127.82178.8-73.1-73.8000113.8W423 T424 Q425 D474W423-H476 CarbonylContact C-O 3.55Å; W423-H476 VanDerWaalsContact CA-O 3.28Å; W423-H476 WeakPolarHBondContact CA-O 3.41Å; T424-H476 PolarHBondContact N-O 3.09Å; T424-H476 PolarHBondContact O-ND1 3.25Å; Q425-H476 PolarHBondContact O-CE1 3.41Å; D474-H476 PolarHBondContact O-N 2.86Å; D474-H476 PolarHBondContact OD1-N 3.43Å
477H98.8Very high97.7Very high47 Ų4745.2 Ų45.222%0.21824%0.236CC..EExtended strand (participates in β ladder)trans-138.8142.4-173.9-53.797.9000113L421 V422 W423 V473 D474L421-H477 HydrophobicContact CD1-CB 4.33Å; V422-H477 VanDerWaalsContact O-CA 3.3Å; V422-H477 WeakPolarHBondContact O-CA 3.4Å; W423-H477 AromaticContact CD1-NE2 3.55Å; V473-H477 HydrophobicContact CB-CB 4.16Å; V473-H477 WeakPolarHBondContact CB-O 3.46Å; V473-H477 HydrophobicContact CG1-CB 4.44Å; V473-H477 PolarHBondContact N-O 2.93Å; D474-H477 VanDerWaalsContact CG-ND1 3.29Å; D474-H477 PolarHBondContact N-O 3.46Å; D474-H477 VanDerWaalsContact N-O 3.14Å; D474-H477 PolarHBondContact O-N 2.97Å; D474-H477 VanDerWaalsContact O-O 3.1Å; D474-H477 IonicContact OD1-CE1 3.87Å; D474-H477 IonicContact OD1-CG 3.56Å; D474-H477 PolarHBondContact OD1-N 3.42Å; D474-H477 VanDerWaalsContact OD1-N 3.07Å; D474-H477 IonicContact OD1-ND1 2.82Å; D474-H477 PolarHBondContact OD1-ND1 3.41Å; D474-H477 IonicContact OD2-CG 3.76Å; D474-H477 IonicContact OD2-ND1 3Å; D474-H477 PolarHBondContact OD2-ND1 3.39Å
478F98.8Very high97.6Very high0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-150.5157168.567.6-79.8000110.7V422 T424 I428 I433 I436 V470 R471 L480 L505 L509V422-F478 HydrophobicContact CB-CD1 4.18Å; V422-F478 HydrophobicContact CB-CE1 3.8Å; V422-F478 HydrophobicContact CB-CE2 4.28Å; V422-F478 HydrophobicContact CB-CZ 3.87Å; V422-F478 HydrophobicContact CG1-CD1 4.35Å; V422-F478 HydrophobicContact CG1-CE1 3.58Å; V422-F478 HydrophobicContact CG1-CZ 3.74Å; V422-F478 HydrophobicContact CG2-CE2 4.4Å; V422-F478 HydrophobicContact CG2-CZ 4.29Å; V422-F478 PolarHBondContact N-O 2.66Å; V422-F478 PolarHBondContact O-N 3.15Å; T424-F478 HydrophobicContact CG2-CD1 4.24Å; T424-F478 HydrophobicContact CG2-CE1 3.73Å; I428-F478 HydrophobicContact CD1-CD1 3.65Å; I428-F478 HydrophobicContact CD1-CE1 4.26Å; I428-F478 HydrophobicContact CD1-CG 4.45Å; I433-F478 HydrophobicContact CD1-CB 3.64Å; I433-F478 HydrophobicContact CD1-CD1 4.43Å; I433-F478 HydrophobicContact CD1-CD2 4.1Å; I433-F478 HydrophobicContact CD1-CG 3.82Å; I433-F478 HydrophobicContact CG2-CD1 4.39Å; I433-F478 HydrophobicContact CG2-CE1 4.33Å; I436-F478 HydrophobicContact CD1-CE2 4.46Å; V470-F478 HydrophobicContact CB-CD2 4.11Å; V470-F478 HydrophobicContact CG1-CD2 3.84Å; V470-F478 HydrophobicContact CG1-CE2 3.77Å; R471-F478 WeakPolarHBondContact O-CA 3.03Å; F478-L480 HydrophobicContact CD2-CB 4.42Å; F478-L480 HydrophobicContact CE2-CB 4Å; F478-L480 HydrophobicContact CE2-CD1 4.42Å; F478-L505 HydrophobicContact CZ-CD2 3.97Å; F478-L509 HydrophobicContact CE1-CD1 4.04Å; F478-L509 HydrophobicContact CZ-CD1 3.91Å
479Y98.8Very high97.5Very high69 Ų6946.2 Ų46.227%0.27124%0.235SC..EExtended strand (participates in β ladder)trans-88.2135.8168-72.1-80.4000110.4T419 A420 L421 V470 R471 V473T419-Y479 HydrophobicContact CG2-CD1 3.79Å; A420-Y479 CarbonylContact O-C 3.39Å; A420-Y479 VanDerWaalsContact O-CA 3.29Å; A420-Y479 WeakPolarHBondContact O-CA 3.47Å; L421-Y479 HydrophobicContact CB-CD1 4.26Å; L421-Y479 HydrophobicContact CB-CE1 3.97Å; L421-Y479 HydrophobicContact CD1-CD1 4.28Å; L421-Y479 HydrophobicContact CD1-CE1 4Å; L421-Y479 HydrophobicContact CD1-CE2 4.25Å; L421-Y479 HydrophobicContact CG-CE1 4.47Å; V470-Y479 CarbonylContact C-O 3.55Å; V470-Y479 VanDerWaalsContact CA-O 3.28Å; V470-Y479 WeakPolarHBondContact CA-O 3.47Å; R471-Y479 PolarHBondContact N-O 3.14Å; R471-Y479 PolarHBondContact O-N 3.02Å; V473-Y479 HydrophobicContact CG2-CD2 3.47Å; V473-Y479 VanDerWaalsContact CG2-CD2 3.47Å; V473-Y479 HydrophobicContact CG2-CE2 3.6Å
480L98.8Very high97.6Very high0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-114.7109.4175.5178.664.2000109.2T419 A420 V422 I436 M468 N469 V470 F478 L482 F493 V494 L505T419-L480 WeakPolarHBondContact CA-O 3.34Å; A420-L480 HydrophobicContact CB-CB 4.45Å; A420-L480 PolarHBondContact N-O 3.05Å; A420-L480 PolarHBondContact O-N 3Å; V422-L480 HydrophobicContact CG2-CB 3.92Å; V422-L480 HydrophobicContact CG2-CD2 4.26Å; I436-L480 HydrophobicContact CG2-CD1 3.95Å; M468-L480 HydrophobicContact CB-CD1 4.23Å; M468-L480 HydrophobicContact SD-CD1 4.44Å; N469-L480 CarbonylContact O-C 3.43Å; N469-L480 WeakPolarHBondContact O-CA 3.23Å; V470-L480 HydrophobicContact CG1-CD1 3.94Å; F478-L480 HydrophobicContact CD2-CB 4.42Å; F478-L480 HydrophobicContact CE2-CB 4Å; F478-L480 HydrophobicContact CE2-CD1 4.42Å; L480-L482 HydrophobicContact CD1-CD2 3.91Å; L480-L482 HydrophobicContact CD2-CD1 4.18Å; L480-L482 HydrophobicContact CD2-CD2 3.86Å; L480-L482 HydrophobicContact CD2-CG 4.24Å; L480-L482 HydrophobicContact CG-CD1 4.32Å; L480-L482 HydrophobicContact CG-CD2 3.66Å; L480-L482 HydrophobicContact CG-CG 3.91Å; L480-F493 HydrophobicContact CD2-CE1 4.31Å; L480-V494 HydrophobicContact CD2-CG2 4.3Å; L480-L505 HydrophobicContact CD2-CD2 3.88Å
481G98.6Very high97.6Very high6 Ų642.5 Ų42.56%0.06221%0.213CC..EExtended strand (participates in β ladder)trans-84.9134.8168.900000110.6Y418 M468 N469Y418-G481 CarbonylContact O-C 3.53Å; Y418-G481 WeakPolarHBondContact O-CA 3.28Å; M468-G481 CarbonylContact C-O 3.53Å; M468-G481 WeakPolarHBondContact CA-O 3.28Å; N469-G481 PolarHBondContact N-O 3.48Å; N469-G481 PolarHBondContact O-N 3.1Å; N469-G481 WeakPolarHBondContact OD1-CA 3.31Å; N469-G481 PolarHBondContact OD1-N 3.33Å
482L98.3Very high97.6Very high7 Ų735.2 Ų35.24%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-133.3141.1-175.4-58.5169000110.5S417 Y418 I465 M468 L480 T484 I490 F493S417-L482 CarbonylContact C-O 3.55Å; S417-L482 WeakPolarHBondContact CA-O 3.36Å; Y418-L482 PolarHBondContact N-O 3.4Å; Y418-L482 PolarHBondContact O-N 2.93Å; I465-L482 HydrophobicContact CG2-CD2 4.22Å; M468-L482 HydrophobicContact CB-CD2 4.13Å; M468-L482 HydrophobicContact CG-CD2 3.46Å; M468-L482 VanDerWaalsContact CG-CD2 3.46Å; M468-L482 HydrophobicContact SD-CD2 3.64Å; L480-L482 HydrophobicContact CD1-CD2 3.91Å; L480-L482 HydrophobicContact CD2-CD1 4.18Å; L480-L482 HydrophobicContact CD2-CD2 3.86Å; L480-L482 HydrophobicContact CD2-CG 4.24Å; L480-L482 HydrophobicContact CG-CD1 4.32Å; L480-L482 HydrophobicContact CG-CD2 3.66Å; L480-L482 HydrophobicContact CG-CG 3.91Å; L482-T484 HydrophobicContact CB-CG2 4.1Å; L482-I490 HydrophobicContact CD1-CD1 4.34Å; L482-I490 HydrophobicContact CD1-CG2 3.45Å; L482-I490 VanDerWaalsContact CD1-CG2 3.45Å; L482-F493 HydrophobicContact CD2-CE1 4.2Å
483K98.3Very high97.6Very high76 Ų7631.7 Ų31.733%0.3317%0.17SC..EExtended strand (participates in β ladder)trans-119121.6160.2-174.4170.7-174.9167.90109.1T415 I465 H466 S467 D524T415-K483 WeakPolarHBondContact OG1-CE 2.88Å; I465-K483 CarbonylContact C-O 3.48Å; H466-K483 PolarHBondContact N-O 3.07Å; S467-K483 PolarHBondContact N-O 3.28Å; S467-K483 PolarHBondContact O-N 3.08Å; S467-K483 WeakPolarHBondContact OG-CB 3.5Å; K483-D524 WeakPolarHBondContact CE-OD2 3.43Å; K483-D524 IonicContact NZ-OD2 3.98Å
484T97.8Very high97.6Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-127.9157.5-171.178.30000112.7T415 K416 Y418 I465 L482 T488 I490T415-T484 VanDerWaalsContact CA-O 3.26Å; T415-T484 WeakPolarHBondContact CA-O 3.25Å; T415-T484 WeakPolarHBondContact CB-O 3.22Å; K416-T484 PolarHBondContact N-O 2.94Å; K416-T484 PolarHBondContact O-N 3.19Å; Y418-T484 HydrophobicContact CD2-CG2 4.38Å; Y418-T484 HydrophobicContact CE2-CG2 4.42Å; I465-T484 HydrophobicContact CB-CG2 4.47Å; I465-T484 HydrophobicContact CG1-CG2 3.95Å; I465-T484 HydrophobicContact CG2-CG2 4.33Å; L482-T484 HydrophobicContact CB-CG2 4.1Å; T484-T488 HydrophobicContact CG2-CG2 4.35Å; T484-I490 HydrophobicContact CG2-CD1 3.63Å
485Q96.1Very high97.6Very high63 Ų6328.1 Ų28.129%0.29415%0.147SC..  trans-54.9154.7160.9-165.3-174.3127.500110.4V464 T488V464-Q485 HydrophobicContact CB-CB 4.43Å; V464-Q485 WeakPolarHBondContact O-CB 3.32Å; V464-Q485 PolarHBondContact O-N 3.16Å; Q485-T488 PolarHBondContact O-OG1 3.41Å
486A91.5Very high97.6Very high6 Ų625.7 Ų25.75%0.0513%0.13CC..THydrogen-bonded Turntrans-55.4141.6171.300000112.9E411 E412 R463 T488E411-A486 VanDerWaalsContact O-CB 3.26Å; E411-A486 WeakPolarHBondContact O-CB 3.3Å; E412-A486 WeakPolarHBondContact O-CB 3.42Å; R463-A486 PolarHBondContact NE-O 3.39Å; A486-T488 VanDerWaalsContact C-N 3.26Å; A486-T488 PolarHBondContact O-N 3.44Å
487G92.6Very high97.6Very high46 Ų4623.1 Ų23.147%0.47412%0.118SC..THydrogen-bonded Turntrans69.817.1175.200000115.2R463R463-G487 PolarHBondContact NE-O 3.07Å
488T96.7Very high97.5Very high8 Ų829.9 Ų29.95%0.04915%0.148CC..  trans-74.4129.4168.4-55.50000109.9L444 R463 T484 Q485 A486 I490L444-T488 HydrophobicContact CD1-CG2 4.35Å; R463-T488 HydrophobicContact CB-CG2 4.26Å; T484-T488 HydrophobicContact CG2-CG2 4.35Å; Q485-T488 PolarHBondContact O-OG1 3.41Å; A486-T488 VanDerWaalsContact C-N 3.26Å; A486-T488 PolarHBondContact O-N 3.44Å; T488-I490 HydrophobicContact CG2-CD1 4.1Å; T488-I490 PolarHBondContact O-N 3.08Å
489Y97.3Very high97.4Very high58 Ų5831.4 Ų31.423%0.22716%0.163CC..  trans-88.2101.6178.6-74.2-80.9000110.1Q446 P449 E492 F493Q446-Y489 PolarHBondContact NE2-O 3.27Å; P449-Y489 HydrophobicContact CG-CD1 3.6Å; P449-Y489 HydrophobicContact CG-CD2 3.68Å; P449-Y489 HydrophobicContact CG-CE1 3.91Å; P449-Y489 HydrophobicContact CG-CE2 4Å; P449-Y489 HydrophobicContact CG-CG 3.47Å; P449-Y489 VanDerWaalsContact CG-CG 3.47Å; Y489-E492 WeakPolarHBondContact CB-OE2 3.17Å; Y489-F493 PolarHBondContact O-N 3.42Å; Y489-F493 VanDerWaalsContact O-N 3.12Å
490I98.5Very high97.4Very high8 Ų829.8 Ų29.84%0.04116%0.156CC..Hα-helixtrans-68.7-44.4-169.7-51.8-54.9000112.6Y418 L482 T484 T488 E492 F493 V494 L518Y418-I490 HydrophobicContact CD1-CG1 4.01Å; Y418-I490 HydrophobicContact CD2-CD1 3.72Å; Y418-I490 HydrophobicContact CD2-CG1 3.82Å; Y418-I490 HydrophobicContact CE1-CG1 4Å; Y418-I490 HydrophobicContact CE2-CD1 3.7Å; Y418-I490 HydrophobicContact CE2-CG1 3.83Å; Y418-I490 HydrophobicContact CG-CD1 4.29Å; Y418-I490 HydrophobicContact CG-CG1 3.91Å; L482-I490 HydrophobicContact CD1-CD1 4.34Å; L482-I490 HydrophobicContact CD1-CG2 3.45Å; L482-I490 VanDerWaalsContact CD1-CG2 3.45Å; T484-I490 HydrophobicContact CG2-CD1 3.63Å; T488-I490 HydrophobicContact CG2-CD1 4.1Å; T488-I490 PolarHBondContact O-N 3.08Å; I490-E492 VanDerWaalsContact C-N 3.29Å; I490-E492 PolarHBondContact O-N 3.19Å; I490-F493 WeakPolarHBondContact O-CB 3.45Å; I490-F493 PolarHBondContact O-N 2.79Å; I490-F493 VanDerWaalsContact O-N 3.12Å; I490-V494 PolarHBondContact O-N 2.77Å; I490-V494 VanDerWaalsContact O-N 3.11Å; I490-L518 HydrophobicContact CB-CD1 4.33Å; I490-L518 HydrophobicContact CB-CD2 4.07Å; I490-L518 HydrophobicContact CG2-CD1 3.8Å; I490-L518 HydrophobicContact CG2-CD2 4.34Å
491K98.5Very high97.4Very high28 Ų2829.8 Ų29.812%0.12216%0.156CC..Hα-helixtrans-55.3-50.7178.3-61.6-175.5176.8177.80109.7D348 D350 F493 V494 H495 I515 L518D348-K491 IonicContact OD2-NZ 3.98Å; D348-K491 PolarHBondContact OD2-NZ 3.04Å; D350-K491 IonicContact OD1-NZ 2.79Å; D350-K491 PolarHBondContact OD1-NZ 3.21Å; D350-K491 IonicContact OD2-NZ 2.85Å; D350-K491 PolarHBondContact OD2-NZ 3.32Å; K491-F493 VanDerWaalsContact C-N 3.28Å; K491-F493 PolarHBondContact O-N 2.93Å; K491-V494 WeakPolarHBondContact O-CA 3.35Å; K491-V494 WeakPolarHBondContact O-CB 3.45Å; K491-V494 PolarHBondContact O-N 3.47Å; K491-H495 VanDerWaalsContact C-NE2 3.33Å; K491-H495 PolarHBondContact O-CD2 3.24Å; K491-H495 PolarHBondContact O-N 3.31Å; K491-H495 PolarHBondContact O-NE2 3.3Å; K491-I515 HydrophobicContact CB-CG2 3.96Å; K491-I515 HydrophobicContact CG-CD1 4.21Å; K491-I515 HydrophobicContact CG-CG2 3.92Å; K491-L518 HydrophobicContact CG-CD2 4.21Å
492E98.5Very high97.3Very high3 Ų335 Ų351%0.01418%0.178CC..Hα-helixtrans-69.2-21.1-178.4-69.477.3-172.200114.3P449 R451 Y489 I490 H495 G496 D497 T501P449-E492 HydrophobicContact CB-CG 3.71Å; P449-E492 WeakPolarHBondContact CB-OE1 3.32Å; P449-E492 HydrophobicContact CG-CG 3.77Å; R451-E492 WeakPolarHBondContact CD-OE1 3.44Å; R451-E492 IonicContact CZ-OE1 3.16Å; R451-E492 IonicContact NE-OE1 3Å; R451-E492 PolarHBondContact NE-OE1 2.62Å; R451-E492 IonicContact NE-OE2 3.29Å; R451-E492 IonicContact NH2-OE1 2.84Å; R451-E492 IonicContact NH2-OE2 2.85Å; Y489-E492 WeakPolarHBondContact CB-OE2 3.17Å; I490-E492 VanDerWaalsContact C-N 3.29Å; I490-E492 PolarHBondContact O-N 3.19Å; E492-H495 PolarHBondContact N-NE2 2.97Å; E492-G496 CarbonylContact O-C 3.51Å; E492-G496 WeakPolarHBondContact O-CA 3.44Å; E492-G496 PolarHBondContact O-N 3.26Å; E492-G496 VanDerWaalsContact O-N 3.12Å; E492-D497 HydrophobicContact CB-CB 4.01Å; E492-D497 HydrophobicContact CG-CB 3.75Å; E492-T501 VanDerWaalsContact O-CB 3.23Å; E492-T501 WeakPolarHBondContact O-CB 3.45Å; E492-T501 PolarHBondContact O-OG1 3.15Å
493F98.7Very high97.3Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-71.8-36.9167168-108.5000111.9L442 L444 I465 M468 L480 L482 Y489 I490 K491 N504 L505 L508L442-F493 HydrophobicContact CD2-CE2 3.88Å; L442-F493 HydrophobicContact CD2-CZ 4.14Å; L444-F493 HydrophobicContact CD1-CB 4.35Å; L444-F493 HydrophobicContact CD1-CD2 3.6Å; L444-F493 HydrophobicContact CD1-CE2 4.25Å; L444-F493 HydrophobicContact CD1-CG 4.17Å; L444-F493 HydrophobicContact CD2-CD2 3.93Å; L444-F493 HydrophobicContact CD2-CE2 3.9Å; L444-F493 HydrophobicContact CG-CD2 4.45Å; I465-F493 HydrophobicContact CD1-CD1 3.47Å; I465-F493 VanDerWaalsContact CD1-CD1 3.47Å; I465-F493 HydrophobicContact CD1-CD2 3.67Å; I465-F493 HydrophobicContact CD1-CE1 3.43Å; I465-F493 VanDerWaalsContact CD1-CE1 3.43Å; I465-F493 HydrophobicContact CD1-CE2 3.63Å; I465-F493 HydrophobicContact CD1-CG 3.59Å; I465-F493 HydrophobicContact CD1-CZ 3.51Å; M468-F493 HydrophobicContact CE-CZ 4.36Å; M468-F493 HydrophobicContact SD-CE1 3.79Å; M468-F493 HydrophobicContact SD-CZ 3.68Å; L480-F493 HydrophobicContact CD2-CE1 4.31Å; L482-F493 HydrophobicContact CD2-CE1 4.2Å; Y489-F493 PolarHBondContact O-N 3.42Å; Y489-F493 VanDerWaalsContact O-N 3.12Å; I490-F493 WeakPolarHBondContact O-CB 3.45Å; I490-F493 PolarHBondContact O-N 2.79Å; I490-F493 VanDerWaalsContact O-N 3.12Å; K491-F493 VanDerWaalsContact C-N 3.28Å; K491-F493 PolarHBondContact O-N 2.93Å; F493-N504 WeakPolarHBondContact O-CA 3.42Å; F493-N504 VanDerWaalsContact O-CB 3.28Å; F493-N504 WeakPolarHBondContact O-CB 3.4Å; F493-L505 PolarHBondContact O-N 2.79Å; F493-L508 HydrophobicContact CE2-CD1 4.42Å; F493-L508 HydrophobicContact CZ-CD1 4.19Å
494V98.8Very high97.3Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-68.9-68.8176.9175.70000109.9V422 L480 I490 K491 G496 L505 C506 T513 I515V422-V494 HydrophobicContact CG1-CG1 4.01Å; V422-V494 HydrophobicContact CG2-CG1 4.1Å; V422-V494 HydrophobicContact CG2-CG2 4.38Å; L480-V494 HydrophobicContact CD2-CG2 4.3Å; I490-V494 PolarHBondContact O-N 2.77Å; I490-V494 VanDerWaalsContact O-N 3.11Å; K491-V494 WeakPolarHBondContact O-CA 3.35Å; K491-V494 WeakPolarHBondContact O-CB 3.45Å; K491-V494 PolarHBondContact O-N 3.47Å; V494-G496 VanDerWaalsContact C-N 3.27Å; V494-G496 PolarHBondContact O-N 3.19Å; V494-L505 HydrophobicContact CB-CD2 4.47Å; V494-L505 HydrophobicContact CG1-CD2 4.01Å; V494-L505 HydrophobicContact CG2-CD2 4.35Å; V494-L505 WeakPolarHBondContact O-CB 3.46Å; V494-C506 PolarHBondContact O-SG 2.77Å; V494-T513 PolarHBondContact O-OG1 3.17Å; V494-I515 HydrophobicContact CB-CB 4.23Å; V494-I515 HydrophobicContact CG1-CB 3.98Å; V494-I515 HydrophobicContact CG2-CD1 4.27Å
495H98.5Very high97.3Very high53 Ų5333.1 Ų33.125%0.24517%0.173CC..SBendtrans-81.5-1.7-172.568.282.7000114.4K491 E492 D497 T513K491-H495 VanDerWaalsContact C-NE2 3.33Å; K491-H495 PolarHBondContact O-CD2 3.24Å; K491-H495 PolarHBondContact O-N 3.31Å; K491-H495 PolarHBondContact O-NE2 3.3Å; E492-H495 PolarHBondContact N-NE2 2.97Å; H495-D497 PolarHBondContact ND1-N 3.46Å; H495-D497 VanDerWaalsContact ND1-N 3.18Å; H495-D497 PolarHBondContact O-N 2.93Å; H495-T513 WeakPolarHBondContact CA-O 3.41Å; H495-T513 WeakPolarHBondContact CB-O 3.32Å
496G97.9Very high97.4Very high2 Ų231.1 Ų31.12%0.02117%0.166CC..G310 helixtrans73.5-5.6174.700000116.6E492 V494 F498 G499 R500 T501E492-G496 CarbonylContact O-C 3.51Å; E492-G496 WeakPolarHBondContact O-CA 3.44Å; E492-G496 PolarHBondContact O-N 3.26Å; E492-G496 VanDerWaalsContact O-N 3.12Å; V494-G496 VanDerWaalsContact C-N 3.27Å; V494-G496 PolarHBondContact O-N 3.19Å; G496-F498 VanDerWaalsContact C-N 3.31Å; G496-F498 PolarHBondContact O-N 2.98Å; G496-G499 CarbonylContact O-C 3.56Å; G496-G499 WeakPolarHBondContact O-CA 3.39Å; G496-G499 PolarHBondContact O-N 2.96Å; G496-R500 PolarHBondContact O-N 3.45Å; G496-R500 VanDerWaalsContact O-N 3.08Å; G496-T501 PolarHBondContact O-N 3.13Å
497D98.1Very high97.7Very high6 Ų635.3 Ų35.33%0.03219%0.185CC..G310 helixtrans47.350.3-179.4-166.832.5000112.6L450 E492 H495 G499 R500L450-D497 PolarHBondContact N-OD2 3.27Å; E492-D497 HydrophobicContact CB-CB 4.01Å; E492-D497 HydrophobicContact CG-CB 3.75Å; H495-D497 PolarHBondContact ND1-N 3.46Å; H495-D497 VanDerWaalsContact ND1-N 3.18Å; H495-D497 PolarHBondContact O-N 2.93Å; D497-G499 VanDerWaalsContact C-N 3.26Å; D497-G499 PolarHBondContact O-N 2.86Å; D497-R500 HydrophobicContact CB-CB 4.12Å; D497-R500 WeakPolarHBondContact O-CB 3.41Å; D497-R500 WeakPolarHBondContact O-CD 3.4Å; D497-R500 WeakPolarHBondContact O-CG 3.5Å; D497-R500 PolarHBondContact O-N 3.21Å; D497-R500 VanDerWaalsContact O-N 3.12Å; D497-R500 IonicContact OD2-CZ 3.6Å; D497-R500 IonicContact OD2-NH1 2.65Å; D497-R500 PolarHBondContact OD2-NH1 2.83Å
498F97.4Very high98Very high189 Ų18935.1 Ų35.183%0.82917%0.172SC*.G310 helixtrans55.538.4-175.2-50.8-78.3000113.5L450 G496L450-F498 HydrophobicContact CD1-CD2 3.72Å; L450-F498 HydrophobicContact CD1-CE2 4.08Å; G496-F498 VanDerWaalsContact C-N 3.31Å; G496-F498 PolarHBondContact O-N 2.98Å
499G96.6Very high98Very high32 Ų3236 Ų3633%0.3318%0.177SC..G310 helixtrans79.915.4179.600000114.5G496 D497 K502G496-G499 CarbonylContact O-C 3.56Å; G496-G499 WeakPolarHBondContact O-CA 3.39Å; G496-G499 PolarHBondContact O-N 2.96Å; D497-G499 VanDerWaalsContact C-N 3.26Å; D497-G499 PolarHBondContact O-N 2.86Å; G499-K502 WeakPolarHBondContact O-CE 3.4Å
500R98.1Very high98Very high34 Ų3441.5 Ų41.513%0.12820%0.202CC..THydrogen-bonded Turntrans-84.6-14.2176.4-63.2176.179.5-106.4-0.7113.3K447 T448 L450 G496 D497K447-R500 HydrophobicContact CB-CB 4.18Å; K447-R500 WeakPolarHBondContact CB-O 3.39Å; K447-R500 HydrophobicContact CD-CB 4.32Å; K447-R500 HydrophobicContact CD-CG 4.49Å; K447-R500 WeakPolarHBondContact CG-O 3.25Å; K447-R500 PolarHBondContact N-O 3.48Å; T448-R500 PolarHBondContact O-NH1 3.16Å; T448-R500 PolarHBondContact O-NH2 3.25Å; L450-R500 VanDerWaalsContact N-NH1 3.13Å; G496-R500 PolarHBondContact O-N 3.45Å; G496-R500 VanDerWaalsContact O-N 3.08Å; D497-R500 HydrophobicContact CB-CB 4.12Å; D497-R500 WeakPolarHBondContact O-CB 3.41Å; D497-R500 WeakPolarHBondContact O-CD 3.4Å; D497-R500 WeakPolarHBondContact O-CG 3.5Å; D497-R500 PolarHBondContact O-N 3.21Å; D497-R500 VanDerWaalsContact O-N 3.12Å; D497-R500 IonicContact OD2-CZ 3.6Å; D497-R500 IonicContact OD2-NH1 2.65Å; D497-R500 PolarHBondContact OD2-NH1 2.83Å
501T98.4Very high98Very high0 Ų041.6 Ų41.60%020%0.203CC..EExtended strand (participates in β ladder)trans-110.7127.9166.4-65.60000109.4D445 Q446 E492 G496 N504D445-T501 WeakPolarHBondContact O-CA 3.44Å; Q446-T501 HydrophobicContact CG-CG2 3.8Å; Q446-T501 PolarHBondContact NE2-OG1 3.33Å; E492-T501 VanDerWaalsContact O-CB 3.23Å; E492-T501 WeakPolarHBondContact O-CB 3.45Å; E492-T501 PolarHBondContact O-OG1 3.15Å; G496-T501 PolarHBondContact O-N 3.13Å; T501-N504 HydrophobicContact CG2-CB 4.3Å; T501-N504 PolarHBondContact O-ND2 3Å
502K97.5Very high97.9Very high116 Ų11644.8 Ų44.850%0.50422%0.221SC..EExtended strand (participates in β ladder)trans-141.8134.6179.3-63.3-173.2-176.2-174.80112.2L444 D445 G499L444-K502 CarbonylContact C-O 3.43Å; L444-K502 WeakPolarHBondContact CA-O 3.37Å; D445-K502 PolarHBondContact N-O 2.94Å; D445-K502 PolarHBondContact O-N 3.26Å; G499-K502 WeakPolarHBondContact O-CE 3.4Å
503P97.8Very high97.9Very high38 Ų3845 Ų4525%0.24722%0.223CC..SBendcis-61166-15.526.8-32.4000111.8L442 T443 L444 Q507L442-P503 HydrophobicContact CD1-CG 3.76Å; L442-P503 HydrophobicContact CD2-CG 4.23Å; L442-P503 HydrophobicContact CG-CG 4.13Å; T443-P503 VanDerWaalsContact O-CD 3.3Å; T443-P503 WeakPolarHBondContact O-CD 3.49Å; L444-P503 HydrophobicContact CD2-CG 3.79Å; L444-P503 WeakPolarHBondContact CD2-O 3.34Å; P503-Q507 VanDerWaalsContact CA-OE1 3.3Å
504N98.4Very high97.9Very high6 Ų648.6 Ų48.63%0.03224%0.242CC..  trans-140.7168.517462.659.4000110.2F493 T501 C506 Q507 L508F493-N504 WeakPolarHBondContact O-CA 3.42Å; F493-N504 VanDerWaalsContact O-CB 3.28Å; F493-N504 WeakPolarHBondContact O-CB 3.4Å; T501-N504 HydrophobicContact CG2-CB 4.3Å; T501-N504 PolarHBondContact O-ND2 3Å; N504-C506 VanDerWaalsContact C-N 3.29Å; N504-C506 PolarHBondContact O-N 2.72Å; N504-C506 VanDerWaalsContact OD1-CB 3.29Å; N504-C506 WeakPolarHBondContact OD1-CB 3.38Å; N504-C506 PolarHBondContact OD1-N 2.97Å; N504-C506 VanDerWaalsContact OD1-N 3.14Å; N504-Q507 WeakPolarHBondContact O-CB 3.08Å; N504-Q507 PolarHBondContact O-N 3.45Å; N504-Q507 VanDerWaalsContact O-N 3.07Å; N504-Q507 WeakPolarHBondContact OD1-CG 3.47Å; N504-Q507 PolarHBondContact OD1-N 3.07Å; N504-L508 WeakPolarHBondContact O-CG 3.46Å; N504-L508 PolarHBondContact O-N 3.19Å
505L98.2Very high97.9Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-63.5-34.4-174.5-166.862.8000112.7V422 I436 F478 L480 F493 V494 Q507 L508 L509 T513V422-L505 HydrophobicContact CG1-CD2 3.8Å; V422-L505 HydrophobicContact CG2-CD2 4.17Å; I436-L505 HydrophobicContact CD1-CD1 3.84Å; F478-L505 HydrophobicContact CZ-CD2 3.97Å; L480-L505 HydrophobicContact CD2-CD2 3.88Å; F493-L505 PolarHBondContact O-N 2.79Å; V494-L505 HydrophobicContact CB-CD2 4.47Å; V494-L505 HydrophobicContact CG1-CD2 4.01Å; V494-L505 HydrophobicContact CG2-CD2 4.35Å; V494-L505 WeakPolarHBondContact O-CB 3.46Å; L505-Q507 VanDerWaalsContact C-N 3.29Å; L505-Q507 PolarHBondContact O-N 3.34Å; L505-L508 PolarHBondContact O-N 3.01Å; L505-L509 HydrophobicContact CD1-CD1 4.07Å; L505-L509 HydrophobicContact CD1-CG 4.23Å; L505-L509 HydrophobicContact CG-CD1 4Å; L505-L509 HydrophobicContact CG-CG 4.45Å; L505-L509 PolarHBondContact O-N 2.78Å; L505-T513 HydrophobicContact CG-CG2 4.34Å
506C98.3Very high97.9Very high20 Ų2051.6 Ų51.614%0.13526%0.259CS..Hα-helixtrans-59.3-41.2173.7-50.80000112.1V494 N504 K510 T511 T513V494-C506 PolarHBondContact O-SG 2.77Å; N504-C506 VanDerWaalsContact C-N 3.29Å; N504-C506 PolarHBondContact O-N 2.72Å; N504-C506 VanDerWaalsContact OD1-CB 3.29Å; N504-C506 WeakPolarHBondContact OD1-CB 3.38Å; N504-C506 PolarHBondContact OD1-N 2.97Å; N504-C506 VanDerWaalsContact OD1-N 3.14Å; C506-K510 WeakPolarHBondContact O-CA 3.34Å; C506-K510 PolarHBondContact O-N 3.2Å; C506-T511 WeakPolarHBondContact CA-O 3.48Å; C506-T511 WeakPolarHBondContact CB-O 3.37Å; C506-T511 PolarHBondContact O-N 3.33Å; C506-T513 PolarHBondContact SG-N 3.44Å; C506-T513 VanDerWaalsContact SG-N 3.35Å; C506-T513 PolarHBondContact SG-OG1 3.09Å
507Q97.8Very high97.9Very high95 Ų9555 Ų5544%0.44427%0.274SS..Hα-helixtrans-70.6-38.2177.3-68.8178.6-38.700112.4P503 N504 L505P503-Q507 VanDerWaalsContact CA-OE1 3.3Å; N504-Q507 WeakPolarHBondContact O-CB 3.08Å; N504-Q507 PolarHBondContact O-N 3.45Å; N504-Q507 VanDerWaalsContact O-N 3.07Å; N504-Q507 WeakPolarHBondContact OD1-CG 3.47Å; N504-Q507 PolarHBondContact OD1-N 3.07Å; L505-Q507 VanDerWaalsContact C-N 3.29Å; L505-Q507 PolarHBondContact O-N 3.34Å
508L97.7Very high98Very high42 Ų4255.3 Ų55.322%0.2228%0.276CS..Hα-helixtrans-65.9-43.9178.3-65.6175.5000111.3F435 I439 L442 M468 F493 N504 L505F435-L508 HydrophobicContact CZ-CB 4.45Å; I439-L508 HydrophobicContact CD1-CD1 4.23Å; I439-L508 HydrophobicContact CD1-CD2 4.46Å; L442-L508 HydrophobicContact CD2-CD1 4.08Å; M468-L508 HydrophobicContact CE-CD1 4.5Å; F493-L508 HydrophobicContact CE2-CD1 4.42Å; F493-L508 HydrophobicContact CZ-CD1 4.19Å; N504-L508 WeakPolarHBondContact O-CG 3.46Å; N504-L508 PolarHBondContact O-N 3.19Å; L505-L508 PolarHBondContact O-N 3.01Å
509L97.3Very high98Very high27 Ų2746.7 Ų46.714%0.14124%0.239CC..Hα-helixtrans-89.7-8.3-177.8-67.8178.2000114.6T424 I433 F435 I436 F478 L505 T511 T513T424-L509 HydrophobicContact CG2-CD1 4.4Å; I433-L509 HydrophobicContact CG2-CD1 4.47Å; I433-L509 HydrophobicContact CG2-CD2 4.03Å; F435-L509 HydrophobicContact CE1-CD2 3.74Å; F435-L509 HydrophobicContact CZ-CD2 3.93Å; I436-L509 HydrophobicContact CD1-CD1 4.43Å; I436-L509 HydrophobicContact CD1-CD2 3.92Å; I436-L509 HydrophobicContact CD1-CG 4.33Å; F478-L509 HydrophobicContact CE1-CD1 4.04Å; F478-L509 HydrophobicContact CZ-CD1 3.91Å; L505-L509 HydrophobicContact CD1-CD1 4.07Å; L505-L509 HydrophobicContact CD1-CG 4.23Å; L505-L509 HydrophobicContact CG-CD1 4Å; L505-L509 HydrophobicContact CG-CG 4.45Å; L505-L509 PolarHBondContact O-N 2.78Å; L509-T511 HydrophobicContact CB-CG2 3.78Å; L509-T511 PolarHBondContact O-N 3.39Å; L509-T513 HydrophobicContact CD1-CG2 4.05Å
510K97.3Very high98.1Very high173 Ų17345.3 Ų45.375%0.75222%0.223SC*.THydrogen-bonded Turntrans54.635.8-176.3-53.6176.4-177.1172.10113.1K426 C506K426-K510 PolarHBondContact NZ-O 3.08Å; K426-K510 VanDerWaalsContact NZ-O 3.08Å; C506-K510 WeakPolarHBondContact O-CA 3.34Å; C506-K510 PolarHBondContact O-N 3.2Å
511T97.5Very high98.1Very high10 Ų1046.8 Ų46.86%0.06123%0.232CC..SBendtrans-146.6154.6174.6-176.40000108.8T424 K426 C506 L509 T513T424-T511 HydrophobicContact CG2-CG2 4.43Å; K426-T511 PolarHBondContact N-OG1 2.63Å; K426-T511 VanDerWaalsContact N-OG1 3.12Å; C506-T511 WeakPolarHBondContact CA-O 3.48Å; C506-T511 WeakPolarHBondContact CB-O 3.37Å; C506-T511 PolarHBondContact O-N 3.33Å; L509-T511 HydrophobicContact CB-CG2 3.78Å; L509-T511 PolarHBondContact O-N 3.39Å; T511-T513 HydrophobicContact CG2-CG2 4.09Å
512D98.3Very high97.9Very high95 Ų9548.3 Ų48.351%0.50824%0.243SC..  trans-66.2139.8168.7-67.9-21.9000109.7Q425Q425-D512 HydrophobicContact CB-CB 4.01Å; Q425-D512 PolarHBondContact N-O 2.94Å; Q425-D512 PolarHBondContact OE1-OD2 3.42Å
513T98.6Very high97.6Very high7 Ų743.2 Ų43.24%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-13315117769.20000110.3W423 T424 V494 H495 L505 C506 L509 T511W423-T513 CarbonylContact O-C 3.55Å; W423-T513 WeakPolarHBondContact O-CA 3.48Å; W423-T513 WeakPolarHBondContact O-CB 3.37Å; T424-T513 HydrophobicContact CG2-CG2 4.07Å; V494-T513 PolarHBondContact O-OG1 3.17Å; H495-T513 WeakPolarHBondContact CA-O 3.41Å; H495-T513 WeakPolarHBondContact CB-O 3.32Å; L505-T513 HydrophobicContact CG-CG2 4.34Å; C506-T513 PolarHBondContact SG-N 3.44Å; C506-T513 VanDerWaalsContact SG-N 3.35Å; C506-T513 PolarHBondContact SG-OG1 3.09Å; L509-T513 HydrophobicContact CD1-CG2 4.05Å; T511-T513 HydrophobicContact CG2-CG2 4.09Å
514D98.5Very high97.2Very high75 Ų7543.5 Ų43.540%0.40122%0.221SC..EExtended strand (participates in β ladder)trans-139.4162.4172.6-155.2-0.7000110.8V422 W423V422-D514 WeakPolarHBondContact CA-O 3.08Å; W423-D514 HydrophobicContact CE3-CB 4Å; W423-D514 PolarHBondContact N-O 3.36Å; W423-D514 PolarHBondContact O-N 3.22Å
515I98.5Very high96.7Very high24 Ų2443.5 Ų43.512%0.12322%0.221CC..EExtended strand (participates in β ladder)trans-105.6117.8-178.5-171.3167.3000110.4A420 K491 V494 E517 L518A420-I515 HydrophobicContact CB-CD1 3.69Å; A420-I515 HydrophobicContact CB-CG1 4.12Å; K491-I515 HydrophobicContact CB-CG2 3.96Å; K491-I515 HydrophobicContact CG-CD1 4.21Å; K491-I515 HydrophobicContact CG-CG2 3.92Å; V494-I515 HydrophobicContact CB-CB 4.23Å; V494-I515 HydrophobicContact CG1-CB 3.98Å; V494-I515 HydrophobicContact CG2-CD1 4.27Å; I515-E517 WeakPolarHBondContact CG1-O 3.33Å; I515-L518 HydrophobicContact CD1-CB 3.84Å; I515-L518 HydrophobicContact CD1-CD1 4.14Å; I515-L518 HydrophobicContact CD1-CD2 4.3Å; I515-L518 HydrophobicContact CD1-CG 4.32Å
516L98.3Very high96.2Very high93 Ų9349.5 Ų49.549%0.48725%0.253SS..EExtended strand (participates in β ladder)trans-88.2-41.7-179.8-57-174.5000111.6L421 W423L421-L516 HydrophobicContact CB-CB 4.4Å; L421-L516 HydrophobicContact CD2-CB 4.12Å; L421-L516 HydrophobicContact CD2-CD1 4.14Å; L421-L516 HydrophobicContact CG-CB 4.18Å; L421-L516 HydrophobicContact CG-CD1 4.27Å; L421-L516 PolarHBondContact O-N 3.44Å; W423-L516 HydrophobicContact CB-CD1 4.1Å; W423-L516 HydrophobicContact CB-CD2 4.1Å; W423-L516 HydrophobicContact CB-CG 4.02Å
517E98.5Very high95.8Very high72 Ų7248.8 Ų48.834%0.33625%0.247SC..EExtended strand (participates in β ladder)trans-140.9149.7-179.2-67.4-168-170.800110.8R303 R352 A420 L421 I515R303-E517 IonicContact CZ-OE2 2.94Å; R303-E517 IonicContact NE-OE2 3.55Å; R303-E517 IonicContact NH2-OE2 2.78Å; R303-E517 PolarHBondContact NH2-OE2 3.49Å; R352-E517 IonicContact NH2-OE2 3.71Å; A420-E517 CarbonylContact C-O 3.2Å; A420-E517 VanDerWaalsContact CA-O 3.24Å; A420-E517 WeakPolarHBondContact CA-O 3.11Å; L421-E517 HydrophobicContact CB-CB 3.92Å; L421-E517 HydrophobicContact CD2-CG 4.45Å; L421-E517 PolarHBondContact N-O 3.43Å; I515-E517 WeakPolarHBondContact CG1-O 3.33Å
518L98.8Very high95.5Very high13 Ų1344.2 Ų44.27%0.06823%0.226CC..EExtended strand (participates in β ladder)trans-142.1134.2176.1178.263.8000110.6R303 V351 R352 Y418 T419 A420 I490 K491 I515R303-L518 PolarHBondContact NH1-O 2.67Å; V351-L518 WeakPolarHBondContact CA-O 3.45Å; V351-L518 HydrophobicContact CG1-CG 4.23Å; V351-L518 WeakPolarHBondContact CG1-O 3.22Å; V351-L518 HydrophobicContact CG2-CB 4.08Å; V351-L518 HydrophobicContact CG2-CD2 3.9Å; V351-L518 HydrophobicContact CG2-CG 4.14Å; R352-L518 PolarHBondContact N-O 3.25Å; Y418-L518 HydrophobicContact CD1-CD1 4.13Å; Y418-L518 HydrophobicContact CG-CD1 4.4Å; T419-L518 WeakPolarHBondContact O-CA 3.48Å; A420-L518 HydrophobicContact CB-CD1 4.13Å; I490-L518 HydrophobicContact CB-CD1 4.33Å; I490-L518 HydrophobicContact CB-CD2 4.07Å; I490-L518 HydrophobicContact CG2-CD1 3.8Å; I490-L518 HydrophobicContact CG2-CD2 4.34Å; K491-L518 HydrophobicContact CG-CD2 4.21Å; I515-L518 HydrophobicContact CD1-CB 3.84Å; I515-L518 HydrophobicContact CD1-CD1 4.14Å; I515-L518 HydrophobicContact CD1-CD2 4.3Å; I515-L518 HydrophobicContact CD1-CG 4.32Å
519D98.7Very high95.2Very high9 Ų945.1 Ų45.15%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-126.6141.4175.7-57.9-35.3000110.2R303 R352 L354 Y418 T419R303-D519 IonicContact CZ-OD1 3.51Å; R303-D519 IonicContact NH1-OD1 2.75Å; R303-D519 PolarHBondContact NH1-OD1 2.86Å; R303-D519 VanDerWaalsContact NH1-OD1 3.14Å; R303-D519 IonicContact NH2-OD1 3.96Å; R303-D519 PolarHBondContact NH2-OD1 2.93Å; R303-D519 IonicContact NH2-OD2 2.78Å; R352-D519 VanDerWaalsContact CB-OD1 3.28Å; R352-D519 WeakPolarHBondContact CB-OD1 3.4Å; R352-D519 IonicContact CZ-OD1 3.43Å; R352-D519 IonicContact CZ-OD2 3.7Å; R352-D519 IonicContact NE-OD1 3.48Å; R352-D519 PolarHBondContact NE-OD1 2.82Å; R352-D519 IonicContact NE-OD2 2.77Å; R352-D519 PolarHBondContact NE-OD2 2.87Å; R352-D519 IonicContact NH2-OD1 3.33Å; R352-D519 PolarHBondContact NH2-OD1 3.49Å; R352-D519 IonicContact NH2-OD2 2.65Å; R352-D519 PolarHBondContact NH2-OD2 3.14Å; L354-D519 HydrophobicContact CD1-CB 4Å; L354-D519 HydrophobicContact CG-CB 4.4Å; Y418-D519 CarbonylContact C-O 3.59Å; Y418-D519 WeakPolarHBondContact CA-O 3.37Å; Y418-D519 WeakPolarHBondContact CB-O 3.5Å; T419-D519 PolarHBondContact N-O 3.06Å; T419-D519 PolarHBondContact O-N 2.92Å
520V98.3Very high95Very high2 Ų248.7 Ų48.71%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-87.6117.8165-175.10000107.6E347 V351 R352 T353 L354 Y418 V523E347-V520 HydrophobicContact CB-CG2 4.34Å; V351-V520 HydrophobicContact CG1-CG2 3.86Å; R352-V520 PolarHBondContact O-N 3.43Å; T353-V520 HydrophobicContact CG2-CB 4.29Å; T353-V520 HydrophobicContact CG2-CG1 4.49Å; L354-V520 PolarHBondContact N-O 2.81Å; Y418-V520 HydrophobicContact CD1-CB 4.45Å; Y418-V520 HydrophobicContact CD1-CG2 3.97Å; Y418-V520 HydrophobicContact CE1-CG1 4.49Å; Y418-V520 HydrophobicContact CE1-CG2 3.78Å; V520-V523 HydrophobicContact CG1-CG2 3.81Å
521E97.2Very high94.7Very high65 Ų6544.1 Ų44.130%0.30424%0.242SC..EExtended strand (participates in β ladder)trans-89.1-39.4179.7-65.7-58.9156.400112S417S417-E521 PolarHBondContact O-N 3.05Å
522S94.6Very high93.8Very high33 Ų3349.4 Ų49.423%0.23128%0.277CS..EExtended strand (participates in β ladder)trans-148.2149176.376.30000112.6K416 S417 D524K416-S522 WeakPolarHBondContact CA-O 3.05Å; S417-S522 WeakPolarHBondContact CB-OG 3.36Å; S417-S522 PolarHBondContact N-O 3.45Å; S417-S522 PolarHBondContact O-N 2.64Å; S522-D524 WeakPolarHBondContact CB-OD1 3.38Å; S522-D524 PolarHBondContact OG-OD1 3.38Å
523V91.9Very high92.1Very high9 Ų956 Ų566%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-120.3104.7167.5179.70000105.9R358 K416 V520 V525R358-V523 HydrophobicContact CB-CG2 4.29Å; R358-V523 HydrophobicContact CG-CG2 4.38Å; K416-V523 HydrophobicContact CG-CG1 4.47Å; K416-V523 HydrophobicContact CG-CG2 4.4Å; V520-V523 HydrophobicContact CG1-CG2 3.81Å; V523-V525 HydrophobicContact CG1-CG2 3.82Å; V523-V525 PolarHBondContact O-N 3.46Å
524D89.5Confident91.8Very high44 Ų4458.4 Ų58.424%0.23532%0.317CS..  trans-8156.9-163.3-57.7-22.1000112.2K414 T415 K483 S522K414-D524 VanDerWaalsContact CB-O 3.23Å; K414-D524 WeakPolarHBondContact CB-O 3.48Å; K414-D524 WeakPolarHBondContact CD-O 3.43Å; K414-D524 VanDerWaalsContact CG-O 3.28Å; K414-D524 WeakPolarHBondContact CG-O 3.37Å; T415-D524 WeakPolarHBondContact O-CB 3.28Å; T415-D524 PolarHBondContact O-N 3.15Å; T415-D524 VanDerWaalsContact O-N 3.1Å; T415-D524 PolarHBondContact OG1-OD2 3.02Å; K483-D524 WeakPolarHBondContact CE-OD2 3.43Å; K483-D524 IonicContact NZ-OD2 3.98Å; S522-D524 WeakPolarHBondContact CB-OD1 3.38Å; S522-D524 PolarHBondContact OG-OD1 3.38Å
525V86.8Confident91.4Very high5 Ų557.5 Ų57.53%0.0331%0.313CS..  trans-112.7119.7-177177.20000108.9R297 P359 K414 V523 W527R297-V525 PolarHBondContact NH2-O 3.37Å; P359-V525 HydrophobicContact CG-CB 4.13Å; P359-V525 HydrophobicContact CG-CG1 4.35Å; K414-V525 HydrophobicContact CB-CG2 3.87Å; K414-V525 HydrophobicContact CG-CG2 3.97Å; V523-V525 HydrophobicContact CG1-CG2 3.82Å; V523-V525 PolarHBondContact O-N 3.46Å; V525-W527 HydrophobicContact CG1-CB 4.19Å; V525-W527 PolarHBondContact O-N 2.91Å
526D87.3Confident91.1Very high126 Ų12659.4 Ų59.467%0.67432%0.324SS*.  trans-81.148.9-179.2-56.7-44.6000112.7R406R406-D526 PolarHBondContact NH2-O 3.04Å
527W90.6Very high90.6Very high5 Ų557.4 Ų57.42%0.01931%0.314CS..  trans-160.1144178.2-171.487.4000111.2A295 R297 P359 A361 V399 A403 M404 R406 M407 V525A295-W527 HydrophobicContact CB-CH2 3.69Å; A295-W527 HydrophobicContact CB-CZ2 3.99Å; A295-W527 HydrophobicContact CB-CZ3 4.33Å; R297-W527 PolarHBondContact NH1-O 3.01Å; R297-W527 PolarHBondContact NH2-O 3.25Å; P359-W527 HydrophobicContact CB-CE3 4.46Å; P359-W527 WeakPolarHBondContact CB-O 3.44Å; P359-W527 WeakPolarHBondContact CG-O 3.42Å; A361-W527 HydrophobicContact CB-CH2 3.75Å; A361-W527 HydrophobicContact CB-CZ3 4.28Å; V399-W527 HydrophobicContact CG1-CZ2 4.37Å; V399-W527 HydrophobicContact CG2-CZ2 4.24Å; A403-W527 HydrophobicContact CB-CZ2 4.05Å; A403-W527 VanDerWaalsContact O-CE2 3.27Å; A403-W527 WeakPolarHBondContact O-CZ2 3.28Å; A403-W527 PolarHBondContact O-NE1 3.26Å; M404-W527 HydrophobicContact SD-CH2 3.88Å; M404-W527 HydrophobicContact SD-CZ2 4.38Å; R406-W527 HydrophobicContact CB-CB 4.31Å; R406-W527 HydrophobicContact CB-CG 4.07Å; M407-W527 HydrophobicContact CB-CE3 3.83Å; M407-W527 HydrophobicContact CB-CH2 4.4Å; M407-W527 HydrophobicContact CB-CZ3 3.63Å; M407-W527 HydrophobicContact CG-CE3 4.21Å; M407-W527 HydrophobicContact CG-CZ3 3.89Å; M407-W527 HydrophobicContact SD-CZ3 3.77Å; V525-W527 HydrophobicContact CG1-CB 4.19Å; V525-W527 PolarHBondContact O-N 2.91Å
528P92.1Very high90.1Very high0 Ų056.5 Ų56.50%031%0.313CS..SBendcis-63.6162.6-9.730.1-36.5000111.4A295 R297A295-P528 HydrophobicContact CB-CB 3.99Å; A295-P528 HydrophobicContact CB-CG 4.17Å; R297-P528 PolarHBondContact NH1-O 2.96Å
529P91.8Very high89.6Confident60 Ų6059.4 Ų59.439%0.3933%0.329SS..PPolyproline II helixtrans-57.9135.8176-22.333.4000110.7Q397Q397-P529 PolarHBondContact NE2-O 3.16Å
530P92.3Very high88.9Confident103 Ų10363 Ų6367%0.66935%0.349SS*.PPolyproline II helixtrans-63.7141.8176.427-33.2000110.5D395D395-P530 WeakPolarHBondContact OD1-CA 3.08Å
531I90.8Very high88.2Confident76 Ų7667.7 Ų67.739%0.3938%0.375SS..PPolyproline II helixtrans-101.3120.9175.3-54.4177.3000107.5D395 L396 Q397 E533D395-I531 HydrophobicContact CB-CG1 4.34Å; D395-I531 PolarHBondContact OD1-N 2.96Å; L396-I531 WeakPolarHBondContact O-CD1 3.37Å; Q397-I531 HydrophobicContact CB-CD1 3.95Å; I531-E533 PolarHBondContact O-N 3.22Å
532P79.5Confident87.4Confident122 Ų12267.9 Ų67.979%0.79238%0.381SS*.PPolyproline II helixtrans-56.2138.1174.4-21.932.1000111
533E62.2Low86.8Confident232 Ų23271.1 Ų71.1100%1.08439%0.394SS*.  trans-63.20-178.1-70.9-168.7160.900114.2K378 I531K378-E533 PolarHBondContact NZ-OXT 3.34Å; I531-E533 PolarHBondContact O-N 3.22Å

Retrieved 533 of 533 residues in 615.2 ms (Link to these results)

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