A0A3B3VJY2_9TELE Loading...

Peroxiredoxin-1

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession A0A3B3VJY2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 198 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
1M47.6Very low84.4Confident177 Ų17789.3 Ų89.387%0.87251%0.513SS*.  0125.80-69.9-162.2-71.800107.3I144M1-I144 HydrophobicContact SD-CD1 3.95Å
2A51.2Low85.6Confident20 Ų2082.3 Ų82.317%0.16547%0.474CS..  trans-56.7146.3169.400000109.4G4A2-G4 PolarHBondContact O-N 3.35Å
3A61.5Low86.6Confident107 Ų10777.2 Ų77.288%0.88445%0.445SS*.  trans-69.780.6173.500000109.5
4G84.4Confident87.4Confident23 Ų2376.9 Ų76.924%0.23744%0.441CS..  trans-63.7163.1179.700000113.2A2 D115A2-G4 PolarHBondContact O-N 3.35Å; G4-D115 CarbonylContact C-O 3.52Å
5N94.9Very high88.1Confident102 Ų10272.7 Ų72.755%0.54542%0.416SS..SBendtrans-84.6-16.3178-70.1-40000113K7 P13 D115N5-K7 PolarHBondContact O-N 2.78Å; N5-P13 HydrophobicContact CB-CG 4.04Å; N5-D115 WeakPolarHBondContact CA-O 3.43Å; N5-D115 PolarHBondContact N-O 2.94Å; N5-D115 PolarHBondContact ND2-OD1 2.94Å
6A97.3Very high88.8Confident17 Ų1775.4 Ų75.414%0.1443%0.428CS..  trans-66.6119177.600000112.7P13 D115 Y116 F131 L139A6-P13 HydrophobicContact CB-CG 4.01Å; A6-D115 PolarHBondContact N-O 3.24Å; A6-D115 VanDerWaalsContact N-O 3.14Å; A6-Y116 HydrophobicContact CB-CD1 4.2Å; A6-F131 HydrophobicContact CB-CE1 4.17Å; A6-L139 HydrophobicContact CB-CD2 3.8Å
7K98Very high89.4Confident131 Ų13171.9 Ų71.957%0.5741%0.41SS*.  trans-136128.8179.9-64178.1-175.3176.20110.7N5 G9 K10N5-K7 PolarHBondContact O-N 2.78Å; K7-G9 PolarHBondContact O-N 2.9Å; K7-K10 HydrophobicContact CB-CB 4.23Å; K7-K10 HydrophobicContact CB-CG 3.99Å; K7-K10 WeakPolarHBondContact O-CB 3.47Å; K7-K10 PolarHBondContact O-N 2.75Å; K7-K10 VanDerWaalsContact O-N 3.13Å
8I98.4Very high89.9Confident109 Ų10972.4 Ų72.456%0.55941%0.407SS*.THydrogen-bonded Turntrans-58.2137.1176.5-65.1178.5000109.9K10 L139 I142I8-K10 VanDerWaalsContact C-N 3.27Å; I8-K10 PolarHBondContact O-N 2.88Å; I8-L139 CarbonylContact C-O 3.58Å; I8-L139 WeakPolarHBondContact CA-O 3.16Å; I8-I142 HydrophobicContact CD1-CG1 4.32Å; I8-I142 HydrophobicContact CG1-CD1 4.05Å; I8-I142 HydrophobicContact CG1-CG1 4.07Å
9G97.9Very high90.4Very high48 Ų4868.6 Ų68.650%0.49539%0.386SS..THydrogen-bonded Turntrans785.3-178.100000114.6K7 L139K7-G9 PolarHBondContact O-N 2.9Å; G9-L139 PolarHBondContact N-O 3.46Å
10K98.4Very high90.8Very high138 Ų13865.4 Ų65.460%0.637%0.368SS*.SBendtrans-115.2165.4171.5-57.4-61.1178-1740110.2K7 I8 A12 I138 L139K7-K10 HydrophobicContact CB-CB 4.23Å; K7-K10 HydrophobicContact CB-CG 3.99Å; K7-K10 WeakPolarHBondContact O-CB 3.47Å; K7-K10 PolarHBondContact O-N 2.75Å; K7-K10 VanDerWaalsContact O-N 3.13Å; I8-K10 VanDerWaalsContact C-N 3.27Å; I8-K10 PolarHBondContact O-N 2.88Å; K10-A12 PolarHBondContact O-N 3.25Å; K10-I138 CarbonylContact O-C 3.58Å; K10-I138 WeakPolarHBondContact O-CA 3.21Å; K10-L139 PolarHBondContact O-N 3.41Å
11L98.4Very high91.1Very high110 Ų11063.8 Ų63.858%0.57636%0.358SS*.BIsolated β-bridgetrans-54.8132.6170.5-72.1170.2000109.3G137 I138L11-G137 WeakPolarHBondContact CA-O 3.41Å; L11-I138 HydrophobicContact CD2-CD1 3.84Å; L11-I138 HydrophobicContact CG-CD1 4.1Å
12A98.7Very high93.5Very high5 Ų558.3 Ų58.34%0.04134%0.335CS..PPolyproline II helixtrans-61.5142.5171.900000109.7K10 D14 L31 I133 G137 L139K10-A12 PolarHBondContact O-N 3.25Å; A12-D14 PolarHBondContact O-N 3.28Å; A12-L31 HydrophobicContact CB-CD2 4.1Å; A12-I133 HydrophobicContact CB-CD1 3.67Å; A12-I133 HydrophobicContact CB-CG1 3.86Å; A12-I133 HydrophobicContact CB-CG2 3.99Å; A12-G137 PolarHBondContact N-O 2.88Å; A12-L139 HydrophobicContact CB-CB 4.35Å
13P98.5Very high95.7Very high16 Ų1661.9 Ų61.910%0.10435%0.352CS..PPolyproline II helixtrans-54.3123175.1-23.933.6000110.5N5 A6 L31 D115 Y116N5-P13 HydrophobicContact CB-CG 4.04Å; A6-P13 HydrophobicContact CB-CG 4.01Å; P13-L31 WeakPolarHBondContact O-CD2 3.48Å; P13-D115 HydrophobicContact CB-CB 3.96Å; P13-D115 HydrophobicContact CG-CB 4.5Å; P13-Y116 HydrophobicContact CB-CD2 4.2Å; P13-Y116 HydrophobicContact CB-CE2 3.85Å; P13-Y116 HydrophobicContact CG-CD2 4.33Å; P13-Y116 HydrophobicContact CG-CE2 4.2Å; P13-Y116 WeakPolarHBondContact O-CE2 3.46Å; P13-Y116 PolarHBondContact O-OH 3.08Å; P13-Y116 VanDerWaalsContact O-OH 3.09Å
14D98.4Very high97.3Very high73 Ų7358.1 Ų58.139%0.3932%0.324SS..PPolyproline II helixtrans-75.9154.8-179.8-164.325.3000110.5A12 K30 L31 S32A12-D14 PolarHBondContact O-N 3.28Å; D14-K30 WeakPolarHBondContact OD2-CE 3.22Å; D14-K30 IonicContact OD2-NZ 3.82Å; D14-L31 WeakPolarHBondContact OD1-CB 3.4Å; D14-S32 PolarHBondContact OD1-N 3.25Å; D14-S32 VanDerWaalsContact OD1-N 3.15Å
15F98.6Very high97.9Very high14 Ų1462.4 Ų62.46%0.06134%0.337CS..  trans-148.3156.417565.9-100.7000111.1A17 L29 K30 L31 F41 V105 I112 Y116F15-A17 HydrophobicContact CD2-CB 4.46Å; F15-L29 HydrophobicContact CE2-CD2 3.55Å; F15-L29 HydrophobicContact CZ-CD2 3.89Å; F15-K30 VanDerWaalsContact O-CA 3.28Å; F15-K30 WeakPolarHBondContact O-CA 3.36Å; F15-K30 VanDerWaalsContact O-CG 3.32Å; F15-K30 WeakPolarHBondContact O-CG 3.24Å; F15-L31 HydrophobicContact CD1-CB 3.86Å; F15-L31 HydrophobicContact CD1-CD2 4.26Å; F15-L31 HydrophobicContact CE1-CB 3.66Å; F15-L31 HydrophobicContact CE1-CD1 4.22Å; F15-L31 HydrophobicContact CE1-CD2 4.13Å; F15-L31 HydrophobicContact CE1-CG 4.22Å; F15-L31 HydrophobicContact CG-CB 4.41Å; F15-L31 HydrophobicContact CZ-CB 4.03Å; F15-L31 PolarHBondContact O-N 3.31Å; F15-F41 HydrophobicContact CD1-CE1 4.3Å; F15-F41 HydrophobicContact CD1-CZ 4.36Å; F15-F41 HydrophobicContact CE1-CD1 4.2Å; F15-F41 HydrophobicContact CE1-CD2 4.49Å; F15-F41 AromaticContact CE1-CE1 3.72Å; F15-F41 HydrophobicContact CE1-CE1 3.72Å; F15-F41 HydrophobicContact CE1-CE2 4.06Å; F15-F41 AromaticContact CE1-CZ 3.65Å; F15-F41 HydrophobicContact CE1-CZ 3.65Å; F15-F41 HydrophobicContact CZ-CE1 4.49Å; F15-F41 HydrophobicContact CZ-CE2 4.02Å; F15-F41 HydrophobicContact CZ-CZ 4.01Å; F15-V105 HydrophobicContact CE2-CG1 4.17Å; F15-V105 HydrophobicContact CE2-CG2 4.18Å; F15-V105 HydrophobicContact CZ-CG2 4.48Å; F15-I112 HydrophobicContact CB-CD1 3.86Å; F15-I112 HydrophobicContact CB-CG1 3.88Å; F15-I112 HydrophobicContact CB-CG2 4.13Å; F15-I112 HydrophobicContact CD1-CG2 3.84Å; F15-I112 HydrophobicContact CD2-CD1 3.88Å; F15-I112 HydrophobicContact CE1-CG2 4.47Å; F15-I112 HydrophobicContact CG-CD1 3.88Å; F15-I112 HydrophobicContact CG-CG1 4.33Å; F15-I112 HydrophobicContact CG-CG2 4.06Å; F15-Y116 HydrophobicContact CD1-CE2 4.37Å
16L98.5Very high98.1Very high117 Ų11761.3 Ų61.361%0.61333%0.328SS*.EExtended strand (participates in β ladder)trans-131.3117.5167.7176.566.8000107.8D28 L29 K30L16-D28 HydrophobicContact CD1-CB 3.97Å; L16-L29 WeakPolarHBondContact CA-O 3.42Å; L16-K30 HydrophobicContact CB-CG 4.49Å; L16-K30 HydrophobicContact CD1-CB 3.95Å; L16-K30 HydrophobicContact CD1-CG 4.35Å
17A98.6Very high98.1Very high15 Ų1564.4 Ų64.412%0.12434%0.339CS..EExtended strand (participates in β ladder)trans-150.5158.2-177.600000112.6F15 L29 V105 I112F15-A17 HydrophobicContact CD2-CB 4.46Å; A17-L29 PolarHBondContact N-O 3.16Å; A17-L29 PolarHBondContact O-N 3.21Å; A17-V105 HydrophobicContact CB-CG1 3.81Å; A17-I112 HydrophobicContact CB-CD1 3.77Å
18K98.7Very high98.1Very high81 Ų8162.6 Ų62.635%0.35234%0.336SS..EExtended strand (participates in β ladder)trans-66135.8171.8-70.8-69.9178.8-151.40109.9Q27 D28 H81 S106K18-Q27 CarbonylContact C-O 3.45Å; K18-Q27 WeakPolarHBondContact CA-O 3.43Å; K18-D28 WeakPolarHBondContact CD-OD1 3.39Å; K18-D28 WeakPolarHBondContact CE-OD1 3.44Å; K18-D28 IonicContact NZ-OD1 2.82Å; K18-D28 PolarHBondContact NZ-OD1 2.84Å; K18-D28 IonicContact NZ-OD2 2.78Å; K18-D28 PolarHBondContact NZ-OD2 2.92Å; K18-H81 HydrophobicContact CB-CB 4.34Å; K18-S106 PolarHBondContact O-N 3.24Å
19A98.8Very high98.2Very high0 Ų057.8 Ų57.80%031%0.312CS..EExtended strand (participates in β ladder)trans-131.8151.9173.500000111.3M21 F26 Q27 L29 P103 L104 V105A19-M21 HydrophobicContact CB-SD 4.12Å; A19-F26 WeakPolarHBondContact O-CA 3.36Å; A19-Q27 PolarHBondContact N-O 3Å; A19-Q27 PolarHBondContact O-N 3.31Å; A19-Q27 VanDerWaalsContact O-N 3.07Å; A19-L29 HydrophobicContact CB-CB 4.04Å; A19-L29 HydrophobicContact CB-CD1 4.25Å; A19-P103 HydrophobicContact CB-CB 4.45Å; A19-L104 CarbonylContact C-O 3.51Å; A19-L104 WeakPolarHBondContact CA-O 3.4Å; A19-L104 WeakPolarHBondContact CB-O 3.2Å; A19-V105 HydrophobicContact CB-CG2 4Å
20V98.8Very high98.2Very high4 Ų459 Ų592%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-87.3118162.5-176.10000107.4F26 H81 H84 F85 P103 L104V20-F26 HydrophobicContact CG2-CD1 3.99Å; V20-F26 HydrophobicContact CG2-CE1 3.86Å; V20-H81 HydrophobicContact CG2-CB 4.13Å; V20-H81 WeakPolarHBondContact CG2-O 3.43Å; V20-H84 HydrophobicContact CB-CB 4.36Å; V20-H84 HydrophobicContact CG2-CB 3.61Å; V20-F85 HydrophobicContact CG1-CD2 4.4Å; V20-F85 HydrophobicContact CG2-CB 4.2Å; V20-P103 WeakPolarHBondContact O-CA 3.24Å; V20-L104 PolarHBondContact N-O 3.23Å; V20-L104 PolarHBondContact O-N 2.78Å
21M98.5Very high98.2Very high33 Ų3352.4 Ų52.416%0.16327%0.274CS..  trans-84.2164-178-59.3-53.7-73.300111.1A19 D23 G24 Q25 Q27 L29 P103A19-M21 HydrophobicContact CB-SD 4.12Å; M21-D23 VanDerWaalsContact CB-OD1 3.28Å; M21-D23 WeakPolarHBondContact CB-OD1 3.45Å; M21-D23 PolarHBondContact O-N 3.34Å; M21-D23 VanDerWaalsContact O-N 3.1Å; M21-G24 WeakPolarHBondContact O-CA 3.47Å; M21-G24 PolarHBondContact O-N 2.96Å; M21-Q25 PolarHBondContact N-O 3.22Å; M21-Q27 HydrophobicContact CG-CB 3.69Å; M21-Q27 HydrophobicContact CG-CG 3.65Å; M21-Q27 HydrophobicContact SD-CB 4.17Å; M21-L29 HydrophobicContact SD-CD1 4.36Å; M21-P103 HydrophobicContact CE-CB 4.41Å; M21-P103 HydrophobicContact SD-CB 3.96Å
22P97.6Very high98.2Very high61 Ų6148.5 Ų48.540%0.39626%0.257SS..THydrogen-bonded Turntrans-57-25.4-180-29.437.8000115.4G24 M100P22-G24 PolarHBondContact O-N 3.25Å; P22-M100 WeakPolarHBondContact CA-O 3.06Å; P22-M100 WeakPolarHBondContact CB-O 3.29Å
23D96.6Very high98.1Very high95 Ų9553.8 Ų53.851%0.50828%0.284SS..THydrogen-bonded Turntrans-83.84.6175.166.9-8.2000113.4M21 Q25M21-D23 VanDerWaalsContact CB-OD1 3.28Å; M21-D23 WeakPolarHBondContact CB-OD1 3.45Å; M21-D23 PolarHBondContact O-N 3.34Å; M21-D23 VanDerWaalsContact O-N 3.1Å; D23-Q25 VanDerWaalsContact C-N 3.28Å; D23-Q25 PolarHBondContact O-N 3.11Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.48Å; D23-Q25 PolarHBondContact OD1-N 3.24Å; D23-Q25 PolarHBondContact OD2-NE2 2.85Å
24G94.9Very high98.1Very high29 Ų2954.9 Ų54.930%0.29929%0.287SS..SBendtrans80.8-0.4-178.900000114.6M21 P22M21-G24 WeakPolarHBondContact O-CA 3.47Å; M21-G24 PolarHBondContact O-N 2.96Å; P22-G24 PolarHBondContact O-N 3.25Å
25Q97.8Very high98.1Very high112 Ų11255.8 Ų55.852%0.52328%0.284SS..  trans-81.5153.7-179.6-63.1-17163.400112.2M21 D23M21-Q25 PolarHBondContact N-O 3.22Å; D23-Q25 VanDerWaalsContact C-N 3.28Å; D23-Q25 PolarHBondContact O-N 3.11Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.48Å; D23-Q25 PolarHBondContact OD1-N 3.24Å; D23-Q25 PolarHBondContact OD2-NE2 2.85Å
26F98.5Very high98.1Very high80 Ų8058 Ų5835%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-88.3125.2170.8-55.3-23.5000109.8A19 V20 H81 F82 F85A19-F26 WeakPolarHBondContact O-CA 3.36Å; V20-F26 HydrophobicContact CG2-CD1 3.99Å; V20-F26 HydrophobicContact CG2-CE1 3.86Å; F26-H81 AromaticContact CD2-CD2 3.7Å; F26-H81 AromaticContact CE2-CD2 3.83Å; F26-H81 AromaticContact CG-CD2 3.92Å; F26-F82 AromaticContact CE2-CD1 3.97Å; F26-F82 HydrophobicContact CE2-CD1 3.97Å; F26-F82 AromaticContact CE2-CE1 3.78Å; F26-F82 HydrophobicContact CE2-CE1 3.78Å; F26-F82 HydrophobicContact CZ-CD1 4.17Å; F26-F82 HydrophobicContact CZ-CE1 4.44Å; F26-F85 HydrophobicContact CE1-CB 3.73Å; F26-F85 AromaticContact CE1-CD2 3.95Å; F26-F85 HydrophobicContact CE1-CD2 3.95Å; F26-F85 AromaticContact CE1-CG 3.91Å; F26-F85 HydrophobicContact CE1-CG 3.91Å; F26-F85 HydrophobicContact CZ-CB 3.91Å; F26-F85 HydrophobicContact CZ-CD1 4.4Å; F26-F85 HydrophobicContact CZ-CD2 4.33Å; F26-F85 AromaticContact CZ-CG 3.96Å; F26-F85 HydrophobicContact CZ-CG 3.96Å
27Q98.3Very high98.1Very high81 Ų8156.8 Ų56.838%0.37930%0.301SS..EExtended strand (participates in β ladder)trans-135.1154.6176.7-62.5-174.912.300110.6K18 A19 M21K18-Q27 CarbonylContact C-O 3.45Å; K18-Q27 WeakPolarHBondContact CA-O 3.43Å; A19-Q27 PolarHBondContact N-O 3Å; A19-Q27 PolarHBondContact O-N 3.31Å; A19-Q27 VanDerWaalsContact O-N 3.07Å; M21-Q27 HydrophobicContact CG-CB 3.69Å; M21-Q27 HydrophobicContact CG-CG 3.65Å; M21-Q27 HydrophobicContact SD-CB 4.17Å
28D98.4Very high98.1Very high93 Ų9356.5 Ų56.550%0.49730%0.297SS..EExtended strand (participates in β ladder)trans-80.3120.7166.3-68.6-45.4000108.4L16 K18L16-D28 HydrophobicContact CD1-CB 3.97Å; K18-D28 WeakPolarHBondContact CD-OD1 3.39Å; K18-D28 WeakPolarHBondContact CE-OD1 3.44Å; K18-D28 IonicContact NZ-OD1 2.82Å; K18-D28 PolarHBondContact NZ-OD1 2.84Å; K18-D28 IonicContact NZ-OD2 2.78Å; K18-D28 PolarHBondContact NZ-OD2 2.92Å
29L98.5Very high98.1Very high9 Ų952.9 Ų52.95%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-107.4128.8179.1-172.1155.4000108.8F15 L16 A17 A19 M21 Y34 I74 P103 V105F15-L29 HydrophobicContact CE2-CD2 3.55Å; F15-L29 HydrophobicContact CZ-CD2 3.89Å; L16-L29 WeakPolarHBondContact CA-O 3.42Å; A17-L29 PolarHBondContact N-O 3.16Å; A17-L29 PolarHBondContact O-N 3.21Å; A19-L29 HydrophobicContact CB-CB 4.04Å; A19-L29 HydrophobicContact CB-CD1 4.25Å; M21-L29 HydrophobicContact SD-CD1 4.36Å; L29-Y34 HydrophobicContact CD1-CE2 4.12Å; L29-Y34 WeakPolarHBondContact CD1-OH 3.23Å; L29-Y34 HydrophobicContact CD2-CE2 3.8Å; L29-Y34 HydrophobicContact CG-CE2 3.9Å; L29-I74 HydrophobicContact CD1-CD1 4.49Å; L29-I74 HydrophobicContact CD2-CD1 4.14Å; L29-P103 HydrophobicContact CD1-CB 3.72Å; L29-P103 HydrophobicContact CD1-CG 3.83Å; L29-V105 HydrophobicContact CD1-CG2 4.25Å; L29-V105 HydrophobicContact CD2-CG2 4.24Å
30K98.5Very high98.1Very high72 Ų7252.9 Ų52.931%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-115.3130.7174.2-162-178.3174.6-154.70110.9D14 F15 L16 S32 D33D14-K30 WeakPolarHBondContact OD2-CE 3.22Å; D14-K30 IonicContact OD2-NZ 3.82Å; F15-K30 VanDerWaalsContact O-CA 3.28Å; F15-K30 WeakPolarHBondContact O-CA 3.36Å; F15-K30 VanDerWaalsContact O-CG 3.32Å; F15-K30 WeakPolarHBondContact O-CG 3.24Å; L16-K30 HydrophobicContact CB-CG 4.49Å; L16-K30 HydrophobicContact CD1-CB 3.95Å; L16-K30 HydrophobicContact CD1-CG 4.35Å; K30-S32 VanDerWaalsContact C-N 3.25Å; K30-S32 WeakPolarHBondContact CD-OG 3.43Å; K30-S32 WeakPolarHBondContact CE-OG 3.39Å; K30-S32 WeakPolarHBondContact CG-OG 3.18Å; K30-S32 PolarHBondContact NZ-OG 3.26Å; K30-S32 PolarHBondContact O-N 2.53Å; K30-D33 WeakPolarHBondContact CB-OD2 3.42Å; K30-D33 WeakPolarHBondContact O-CB 3.41Å; K30-D33 PolarHBondContact O-N 3.43Å; K30-D33 VanDerWaalsContact O-N 3.08Å
31L98.5Very high98.1Very high0 Ų052.7 Ų52.70%028%0.28CS..G310 helixtrans-61.4-36.3-179.5178.966000112.1A12 P13 D14 F15 D33 Y34 V39 Y116 I133A12-L31 HydrophobicContact CB-CD2 4.1Å; P13-L31 WeakPolarHBondContact O-CD2 3.48Å; D14-L31 WeakPolarHBondContact OD1-CB 3.4Å; F15-L31 HydrophobicContact CD1-CB 3.86Å; F15-L31 HydrophobicContact CD1-CD2 4.26Å; F15-L31 HydrophobicContact CE1-CB 3.66Å; F15-L31 HydrophobicContact CE1-CD1 4.22Å; F15-L31 HydrophobicContact CE1-CD2 4.13Å; F15-L31 HydrophobicContact CE1-CG 4.22Å; F15-L31 HydrophobicContact CG-CB 4.41Å; F15-L31 HydrophobicContact CZ-CB 4.03Å; F15-L31 PolarHBondContact O-N 3.31Å; L31-D33 PolarHBondContact O-N 2.81Å; L31-D33 VanDerWaalsContact O-N 3.12Å; L31-Y34 PolarHBondContact O-N 3.39Å; L31-Y34 VanDerWaalsContact O-N 3.13Å; L31-V39 HydrophobicContact CD1-CG1 4.24Å; L31-Y116 WeakPolarHBondContact CD2-OH 3.3Å; L31-I133 HydrophobicContact CD1-CD1 4.06Å; L31-I133 HydrophobicContact CD2-CD1 4.06Å
32S97.9Very high98.1Very high29 Ų2951.1 Ų51.120%0.20327%0.272CS..G310 helixtrans-59.7-20.8176.972.60000114.5D14 K30 Y34 R35D14-S32 PolarHBondContact OD1-N 3.25Å; D14-S32 VanDerWaalsContact OD1-N 3.15Å; K30-S32 VanDerWaalsContact C-N 3.25Å; K30-S32 WeakPolarHBondContact CD-OG 3.43Å; K30-S32 WeakPolarHBondContact CE-OG 3.39Å; K30-S32 WeakPolarHBondContact CG-OG 3.18Å; K30-S32 PolarHBondContact NZ-OG 3.26Å; K30-S32 PolarHBondContact O-N 2.53Å; S32-Y34 PolarHBondContact O-N 2.73Å; S32-R35 WeakPolarHBondContact O-CG 3.49Å; S32-R35 PolarHBondContact O-N 3.36Å
33D97.4Very high98.2Very high116 Ų11648.2 Ų48.262%0.6225%0.254SS*.G310 helixtrans-75.5-12.5-179-60-8.5000111.9K30 L31K30-D33 WeakPolarHBondContact CB-OD2 3.42Å; K30-D33 WeakPolarHBondContact O-CB 3.41Å; K30-D33 PolarHBondContact O-N 3.43Å; K30-D33 VanDerWaalsContact O-N 3.08Å; L31-D33 PolarHBondContact O-N 2.81Å; L31-D33 VanDerWaalsContact O-N 3.12Å
34Y98.2Very high98.3Very high39 Ų3943.7 Ų43.715%0.15323%0.23CC..G310 helixtrans-89.44.5175.9-70.2-99.5000113.6L29 L31 S32 G36 K37 V39 E72 I74L29-Y34 HydrophobicContact CD1-CE2 4.12Å; L29-Y34 WeakPolarHBondContact CD1-OH 3.23Å; L29-Y34 HydrophobicContact CD2-CE2 3.8Å; L29-Y34 HydrophobicContact CG-CE2 3.9Å; L31-Y34 PolarHBondContact O-N 3.39Å; L31-Y34 VanDerWaalsContact O-N 3.13Å; S32-Y34 PolarHBondContact O-N 2.73Å; Y34-G36 PolarHBondContact O-N 3.14Å; Y34-K37 PolarHBondContact O-N 3.34Å; Y34-V39 VanDerWaalsContact CB-CG2 3.44Å; Y34-V39 HydrophobicContact CD1-CG2 4Å; Y34-V39 HydrophobicContact CG-CG2 3.92Å; Y34-E72 HydrophobicContact CD1-CB 3.75Å; Y34-E72 HydrophobicContact CD1-CG 3.79Å; Y34-E72 HydrophobicContact CE1-CB 3.65Å; Y34-E72 HydrophobicContact CE1-CG 3.75Å; Y34-I74 HydrophobicContact CD1-CD1 4.33Å; Y34-I74 HydrophobicContact CD2-CD1 4.11Å; Y34-I74 HydrophobicContact CE1-CD1 3.95Å; Y34-I74 HydrophobicContact CE1-CG1 4.44Å; Y34-I74 HydrophobicContact CE2-CD1 3.73Å; Y34-I74 HydrophobicContact CG-CD1 4.41Å
35R98Very high98.4Very high92 Ų9242.7 Ų42.735%0.34722%0.217SC..THydrogen-bonded Turntrans-56141.4174.2-69.3-69.9-176.1-78.8-2.8110.7S32 K37 K136S32-R35 WeakPolarHBondContact O-CG 3.49Å; S32-R35 PolarHBondContact O-N 3.36Å; R35-K37 VanDerWaalsContact C-N 3.32Å; R35-K136 WeakPolarHBondContact CD-O 3.34Å; R35-K136 PolarHBondContact NE-O 3.29Å
36G98.4Very high98.4Very high61 Ų6140.1 Ų40.163%0.62921%0.207SC*.THydrogen-bonded Turntrans87.4-5.9-169.600000114.3Y34 D135Y34-G36 PolarHBondContact O-N 3.14Å; G36-D135 PolarHBondContact N-O 2.62Å
37K98.6Very high98.4Very high91 Ų9136.8 Ų36.840%0.39619%0.193SC..SBendtrans-126.5150.4172.1-61.5-176.4-179.7179.80110.5Y34 R35 E72 D135Y34-K37 PolarHBondContact O-N 3.34Å; R35-K37 VanDerWaalsContact C-N 3.32Å; K37-E72 HydrophobicContact CD-CG 3.71Å; K37-E72 IonicContact NZ-OE1 3.28Å; K37-E72 PolarHBondContact NZ-OE1 3.38Å; K37-D135 WeakPolarHBondContact O-CA 3.4Å
38Y98.8Very high98.4Very high9 Ų938.1 Ų38.14%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-68.6149.8164.4-94.3-112000110G70 C71 E72 I132 I133 D134 D135 V160 F163 Q164 D167Y38-G70 PolarHBondContact N-O 2.85Å; Y38-C71 CarbonylContact O-C 3.44Å; Y38-C71 VanDerWaalsContact O-CA 3.24Å; Y38-C71 WeakPolarHBondContact O-CA 3.23Å; Y38-E72 PolarHBondContact O-N 3.13Å; Y38-I132 HydrophobicContact CD1-CG2 3.99Å; Y38-I132 HydrophobicContact CE1-CG2 4.24Å; Y38-I133 CarbonylContact C-O 3.59Å; Y38-I133 WeakPolarHBondContact CA-O 3.46Å; Y38-D134 HydrophobicContact CD1-CB 4.47Å; Y38-D134 HydrophobicContact CD2-CB 4.36Å; Y38-D134 HydrophobicContact CE1-CB 3.87Å; Y38-D134 HydrophobicContact CE2-CB 3.73Å; Y38-D134 VanDerWaalsContact CZ-CB 3.46Å; Y38-D135 HydrophobicContact CD2-CB 4.33Å; Y38-V160 HydrophobicContact CD1-CG1 4.06Å; Y38-V160 HydrophobicContact CG-CG1 4.41Å; Y38-F163 HydrophobicContact CE1-CB 3.87Å; Y38-F163 WeakPolarHBondContact OH-CB 3.25Å; Y38-Q164 HydrophobicContact CD2-CG 4.01Å; Y38-Q164 HydrophobicContact CE1-CG 4.28Å; Y38-Q164 HydrophobicContact CE2-CG 3.76Å; Y38-Q164 HydrophobicContact CG-CG 4.39Å; Y38-D167 PolarHBondContact OH-OD2 3.28Å
39V98.9Very high98.1Very high4 Ų435.7 Ų35.72%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-130.7125.5176-1780000110.1L31 Y34 F41 E72 I74 I133L31-V39 HydrophobicContact CD1-CG1 4.24Å; Y34-V39 VanDerWaalsContact CB-CG2 3.44Å; Y34-V39 HydrophobicContact CD1-CG2 4Å; Y34-V39 HydrophobicContact CG-CG2 3.92Å; V39-F41 HydrophobicContact CG1-CB 4.22Å; V39-E72 CarbonylContact C-O 3.52Å; V39-E72 WeakPolarHBondContact CA-O 3.46Å; V39-I74 HydrophobicContact CG1-CD1 3.79Å; V39-I74 HydrophobicContact CG1-CG1 4.18Å; V39-I133 HydrophobicContact CB-CB 4.29Å; V39-I133 PolarHBondContact N-O 3.29Å; V39-I133 PolarHBondContact O-N 3.17Å
40V98.9Very high97.6Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-91.5109.61601750000107.2F59 F66 E72 V73 I74 L130 F131 I132 T156 V160V40-F59 HydrophobicContact CG1-CE1 4.25Å; V40-F66 HydrophobicContact CG2-CD1 4.12Å; V40-F66 HydrophobicContact CG2-CE1 3.9Å; V40-E72 PolarHBondContact N-O 3.44Å; V40-V73 HydrophobicContact CB-CG1 4.35Å; V40-V73 HydrophobicContact CB-CG2 4.23Å; V40-V73 HydrophobicContact CG1-CG1 4.32Å; V40-V73 CarbonylContact O-C 3.51Å; V40-V73 WeakPolarHBondContact O-CA 3.44Å; V40-I74 PolarHBondContact O-N 3.46Å; V40-L130 HydrophobicContact CG1-CD1 4Å; V40-L130 HydrophobicContact CG1-CD2 4.37Å; V40-L130 HydrophobicContact CG1-CG 4.09Å; V40-F131 WeakPolarHBondContact CA-O 3.48Å; V40-I132 HydrophobicContact CG2-CG1 4.46Å; V40-T156 HydrophobicContact CB-CG2 4.42Å; V40-T156 HydrophobicContact CG1-CG2 3.76Å; V40-T156 HydrophobicContact CG2-CG2 3.7Å; V40-V160 HydrophobicContact CG2-CG2 3.78Å
41F98.9Very high97Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-109.8118.8176.5-179.8-134.9000109.5F15 V39 F43 I74 A76 I112 Y116 F131 I133F15-F41 HydrophobicContact CD1-CE1 4.3Å; F15-F41 HydrophobicContact CD1-CZ 4.36Å; F15-F41 HydrophobicContact CE1-CD1 4.2Å; F15-F41 HydrophobicContact CE1-CD2 4.49Å; F15-F41 AromaticContact CE1-CE1 3.72Å; F15-F41 HydrophobicContact CE1-CE1 3.72Å; F15-F41 HydrophobicContact CE1-CE2 4.06Å; F15-F41 AromaticContact CE1-CZ 3.65Å; F15-F41 HydrophobicContact CE1-CZ 3.65Å; F15-F41 HydrophobicContact CZ-CE1 4.49Å; F15-F41 HydrophobicContact CZ-CE2 4.02Å; F15-F41 HydrophobicContact CZ-CZ 4.01Å; V39-F41 HydrophobicContact CG1-CB 4.22Å; F41-F43 AromaticContact CD1-CE2 3.84Å; F41-F43 HydrophobicContact CD1-CE2 3.84Å; F41-F43 HydrophobicContact CD1-CZ 4.24Å; F41-F43 HydrophobicContact CE1-CD2 4.34Å; F41-F43 HydrophobicContact CE1-CE1 4.25Å; F41-F43 AromaticContact CE1-CE2 3.31Å; F41-F43 HydrophobicContact CE1-CE2 3.31Å; F41-F43 AromaticContact CE1-CZ 3.27Å; F41-F43 HydrophobicContact CE1-CZ 3.27Å; F41-F43 HydrophobicContact CZ-CE1 4Å; F41-F43 AromaticContact CZ-CE2 3.77Å; F41-F43 HydrophobicContact CZ-CE2 3.77Å; F41-F43 AromaticContact CZ-CZ 3.47Å; F41-F43 HydrophobicContact CZ-CZ 3.47Å; F41-F43 VanDerWaalsContact CZ-CZ 3.47Å; F41-I74 WeakPolarHBondContact CA-O 3.5Å; F41-I74 HydrophobicContact CD2-CB 3.94Å; F41-I74 HydrophobicContact CD2-CG2 3.82Å; F41-I74 HydrophobicContact CE2-CG2 4Å; F41-A76 HydrophobicContact CE2-CB 3.62Å; F41-A76 HydrophobicContact CZ-CB 3.83Å; F41-I112 HydrophobicContact CE1-CG2 3.99Å; F41-I112 HydrophobicContact CZ-CG2 3.91Å; F41-Y116 HydrophobicContact CD1-CD1 4.23Å; F41-Y116 AromaticContact CD1-CE1 3.65Å; F41-Y116 HydrophobicContact CD1-CE1 3.65Å; F41-Y116 HydrophobicContact CD1-CE2 4.14Å; F41-Y116 AromaticContact CD1-CZ 3.57Å; F41-Y116 HydrophobicContact CE1-CD1 4.33Å; F41-Y116 HydrophobicContact CE1-CD2 4.06Å; F41-Y116 AromaticContact CE1-CE1 4Å; F41-Y116 HydrophobicContact CE1-CE1 4Å; F41-Y116 AromaticContact CE1-CE2 3.71Å; F41-Y116 HydrophobicContact CE1-CE2 3.71Å; F41-Y116 HydrophobicContact CE1-CG 4.34Å; F41-Y116 AromaticContact CE1-CZ 3.64Å; F41-F131 PolarHBondContact N-O 3.43Å; F41-F131 PolarHBondContact O-N 2.82Å; F41-I133 HydrophobicContact CB-CD1 4.22Å
42F98.9Very high96.5Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-132.5139.5-175.279.2-87.1000112.8Y44 I56 F59 V73 I74 A75 A76 I102 G129 L130F42-Y44 HydrophobicContact CE2-CD1 4.45Å; F42-I56 HydrophobicContact CE2-CG1 4.1Å; F42-I56 HydrophobicContact CZ-CG1 4.21Å; F42-F59 HydrophobicContact CD1-CD2 4.28Å; F42-F59 HydrophobicContact CE1-CB 4.06Å; F42-F59 AromaticContact CE1-CD2 3.9Å; F42-F59 HydrophobicContact CE1-CD2 3.9Å; F42-F59 AromaticContact CE1-CG 4Å; F42-F59 HydrophobicContact CE1-CG 4Å; F42-F59 HydrophobicContact CE2-CD2 4.29Å; F42-F59 HydrophobicContact CZ-CB 4.23Å; F42-F59 AromaticContact CZ-CD2 3.9Å; F42-F59 HydrophobicContact CZ-CD2 3.9Å; F42-F59 HydrophobicContact CZ-CG 4.3Å; F42-V73 HydrophobicContact CD1-CG1 4.05Å; F42-V73 HydrophobicContact CE1-CG1 3.78Å; F42-I74 VanDerWaalsContact CD1-O 3.29Å; F42-I74 WeakPolarHBondContact CD1-O 3.35Å; F42-I74 PolarHBondContact N-O 2.8Å; F42-A75 HydrophobicContact CD1-CB 4.33Å; F42-A75 HydrophobicContact CE1-CB 3.61Å; F42-A75 HydrophobicContact CE2-CB 3.85Å; F42-A75 HydrophobicContact CZ-CB 3.34Å; F42-A75 CarbonylContact O-C 3.55Å; F42-A75 VanDerWaalsContact O-CA 3.29Å; F42-A75 WeakPolarHBondContact O-CA 3.43Å; F42-A76 PolarHBondContact O-N 3.4Å; F42-I102 HydrophobicContact CE1-CD1 4.05Å; F42-I102 HydrophobicContact CZ-CD1 4.18Å; F42-G129 CarbonylContact C-O 3.59Å; F42-G129 WeakPolarHBondContact CA-O 3.5Å; F42-L130 HydrophobicContact CB-CB 3.97Å; F42-L130 HydrophobicContact CB-CD1 4.04Å; F42-L130 HydrophobicContact CB-CG 3.96Å
43F98.9Very high96.2Very high1 Ų141.8 Ų41.80%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-96.3149.3176.3-65.1-98.5000110.8F41 A76 I112 Y116 V118 A126 G129 F131 R151F41-F43 AromaticContact CD1-CE2 3.84Å; F41-F43 HydrophobicContact CD1-CE2 3.84Å; F41-F43 HydrophobicContact CD1-CZ 4.24Å; F41-F43 HydrophobicContact CE1-CD2 4.34Å; F41-F43 HydrophobicContact CE1-CE1 4.25Å; F41-F43 AromaticContact CE1-CE2 3.31Å; F41-F43 HydrophobicContact CE1-CE2 3.31Å; F41-F43 AromaticContact CE1-CZ 3.27Å; F41-F43 HydrophobicContact CE1-CZ 3.27Å; F41-F43 HydrophobicContact CZ-CE1 4Å; F41-F43 AromaticContact CZ-CE2 3.77Å; F41-F43 HydrophobicContact CZ-CE2 3.77Å; F41-F43 AromaticContact CZ-CZ 3.47Å; F41-F43 HydrophobicContact CZ-CZ 3.47Å; F41-F43 VanDerWaalsContact CZ-CZ 3.47Å; F43-A76 CarbonylContact C-O 3.52Å; F43-A76 WeakPolarHBondContact CA-O 3.42Å; F43-A76 HydrophobicContact CD1-CB 3.9Å; F43-A76 HydrophobicContact CE1-CB 4.03Å; F43-I112 HydrophobicContact CE1-CB 4.43Å; F43-I112 HydrophobicContact CE1-CG2 4.16Å; F43-I112 HydrophobicContact CZ-CG2 3.86Å; F43-Y116 HydrophobicContact CE2-CD1 4.05Å; F43-Y116 HydrophobicContact CE2-CD2 4.33Å; F43-Y116 AromaticContact CE2-CG 3.78Å; F43-Y116 HydrophobicContact CE2-CG 3.78Å; F43-Y116 HydrophobicContact CZ-CD2 4.02Å; F43-Y116 AromaticContact CZ-CG 3.87Å; F43-Y116 HydrophobicContact CZ-CG 3.87Å; F43-V118 HydrophobicContact CB-CG2 4.3Å; F43-V118 HydrophobicContact CD1-CG2 3.98Å; F43-V118 HydrophobicContact CD2-CG2 3.83Å; F43-V118 HydrophobicContact CE1-CG2 4.18Å; F43-V118 HydrophobicContact CE2-CG2 4.03Å; F43-V118 HydrophobicContact CG-CG2 3.77Å; F43-V118 HydrophobicContact CZ-CG2 4.18Å; F43-A126 HydrophobicContact CB-CB 3.87Å; F43-A126 HydrophobicContact CD1-CB 4.15Å; F43-A126 HydrophobicContact CG-CB 4.36Å; F43-G129 PolarHBondContact N-O 3.3Å; F43-F131 HydrophobicContact CD2-CD2 4.11Å; F43-F131 AromaticContact CD2-CE2 3.73Å; F43-F131 HydrophobicContact CD2-CE2 3.73Å; F43-F131 AromaticContact CE2-CD2 3.96Å; F43-F131 HydrophobicContact CE2-CD2 3.96Å; F43-F131 AromaticContact CE2-CE2 3.66Å; F43-F131 HydrophobicContact CE2-CE2 3.66Å; F43-R151 VanDerWaalsContact O-CZ 3.26Å; F43-R151 PolarHBondContact O-NH1 2.92Å; F43-R151 PolarHBondContact O-NH2 2.98Å
44Y98.7Very high96.2Very high0 Ų040.4 Ų40.40%021%0.21CC..  trans-132.4157165.762.2-83.7000110F42 D47 C52 I56 A75 A76 S77 H84 W87F42-Y44 HydrophobicContact CE2-CD1 4.45Å; Y44-D47 VanDerWaalsContact CE2-OD1 3.3Å; Y44-D47 WeakPolarHBondContact CE2-OD1 3.46Å; Y44-D47 PolarHBondContact OH-OD1 2.99Å; Y44-C52 HydrophobicContact CD2-CB 3.91Å; Y44-C52 HydrophobicContact CG-CB 4.41Å; Y44-I56 HydrophobicContact CD1-CD1 3.76Å; Y44-I56 HydrophobicContact CD1-CG1 4.07Å; Y44-I56 HydrophobicContact CD2-CD1 3.94Å; Y44-I56 HydrophobicContact CE1-CD1 3.63Å; Y44-I56 HydrophobicContact CE1-CG1 4.2Å; Y44-I56 HydrophobicContact CE2-CD1 3.79Å; Y44-I56 HydrophobicContact CG-CD1 3.92Å; Y44-I56 HydrophobicContact CG-CG1 4.43Å; Y44-A75 HydrophobicContact CD1-CB 4.36Å; Y44-A75 HydrophobicContact CE1-CB 4.03Å; Y44-A76 WeakPolarHBondContact CD1-O 3.36Å; Y44-A76 WeakPolarHBondContact CE1-O 3.37Å; Y44-A76 PolarHBondContact N-O 2.77Å; Y44-S77 VanDerWaalsContact CE2-CB 3.46Å; Y44-S77 WeakPolarHBondContact O-CB 3.38Å; Y44-H84 PolarHBondContact OH-CE1 2.71Å; Y44-H84 PolarHBondContact OH-ND1 2.97Å; Y44-W87 HydrophobicContact CE2-CH2 4.5Å; Y44-W87 AromaticContact CE2-CZ3 3.77Å; Y44-W87 HydrophobicContact CE2-CZ3 3.77Å
45P97.6Very high96.1Very high7 Ų738.9 Ų38.95%0.04520%0.204CC..SBendtrans-61.3-59.2-173.3-24.930000114.8C52 I125 A126 R128 L147P45-C52 VanDerWaalsContact CD-SG 3.58Å; P45-I125 HydrophobicContact CB-CB 4.49Å; P45-I125 HydrophobicContact CB-CD1 4.12Å; P45-A126 VanDerWaalsContact CA-O 3.24Å; P45-A126 WeakPolarHBondContact CA-O 3.37Å; P45-A126 WeakPolarHBondContact CG-O 3.45Å; P45-R128 HydrophobicContact CG-CG 4.43Å; P45-L147 HydrophobicContact CB-CD2 4.26Å; P45-L147 HydrophobicContact CG-CD2 3.62Å
46L98.2Very high96.1Very high59 Ų5934.5 Ų34.531%0.30919%0.187SC..  trans-154.4146.8-170.3-75173.5000112.1T49 V78 D79 I125L46-T49 HydrophobicContact CB-CG2 3.76Å; L46-T49 PolarHBondContact O-OG1 2.78Å; L46-V78 HydrophobicContact CD2-CG2 4.14Å; L46-D79 WeakPolarHBondContact CA-OD2 3.4Å; L46-I125 HydrophobicContact CD1-CG2 3.92Å; L46-I125 HydrophobicContact CD2-CG2 3.76Å; L46-I125 HydrophobicContact CG-CB 4.5Å; L46-I125 HydrophobicContact CG-CG2 3.69Å
47D98.5Very high96.1Very high9 Ų933 Ų335%0.04816%0.164CC..THydrogen-bonded Turntrans-59.5156.9163.8-73.2-5.9000112Y44 T49 D79 S83 H84 W87Y44-D47 VanDerWaalsContact CE2-OD1 3.3Å; Y44-D47 WeakPolarHBondContact CE2-OD1 3.46Å; Y44-D47 PolarHBondContact OH-OD1 2.99Å; D47-T49 PolarHBondContact O-N 3.36Å; D47-T49 VanDerWaalsContact O-N 3.15Å; D47-D79 HydrophobicContact CB-CB 4.38Å; D47-D79 PolarHBondContact N-OD2 3.05Å; D47-S83 VanDerWaalsContact OD2-CB 3.25Å; D47-S83 WeakPolarHBondContact OD2-CB 3.43Å; D47-S83 PolarHBondContact OD2-OG 2.77Å; D47-H84 IonicContact OD1-CE1 3.43Å; D47-H84 IonicContact OD1-ND1 3.27Å; D47-H84 PolarHBondContact OD1-ND1 3.43Å; D47-H84 VanDerWaalsContact OD1-ND1 3.12Å; D47-H84 WeakPolarHBondContact OD2-CA 3.3Å; D47-H84 IonicContact OD2-CE1 3.74Å; D47-H84 IonicContact OD2-CG 3.7Å; D47-H84 PolarHBondContact OD2-N 3.1Å; D47-H84 VanDerWaalsContact OD2-N 3.11Å; D47-H84 IonicContact OD2-ND1 2.83Å; D47-H84 PolarHBondContact OD2-ND1 3.16Å; D47-W87 HydrophobicContact CB-CD2 4.17Å; D47-W87 HydrophobicContact CB-CE3 3.72Å; D47-W87 HydrophobicContact CB-CZ3 4.08Å; D47-W87 VanDerWaalsContact CG-CE3 3.48Å; D47-W87 VanDerWaalsContact OD1-CZ3 3.3Å; D47-W87 WeakPolarHBondContact OD1-CZ3 3.45Å
48F97.3Very high96.1Very high109 Ų10930.6 Ų30.648%0.47816%0.162SC..THydrogen-bonded Turntrans56.729.1174.8-57.1-83.9000115.5A86 W87F48-A86 HydrophobicContact CZ-CB 4.2Å; F48-W87 AromaticContact CD1-CD1 3.42Å; F48-W87 VanDerWaalsContact CD1-CD1 3.42Å; F48-W87 HydrophobicContact CD1-CG 4.09Å; F48-W87 AromaticContact CD1-NE1 3.8Å; F48-W87 HydrophobicContact CD2-CG 4.37Å; F48-W87 HydrophobicContact CE1-CB 3.98Å; F48-W87 AromaticContact CE1-CD1 3.33Å; F48-W87 AromaticContact CE1-CG 3.85Å; F48-W87 HydrophobicContact CE1-CG 3.85Å; F48-W87 HydrophobicContact CE2-CB 3.85Å; F48-W87 HydrophobicContact CE2-CG 4.12Å; F48-W87 HydrophobicContact CG-CG 4.34Å; F48-W87 HydrophobicContact CZ-CB 3.53Å; F48-W87 AromaticContact CZ-CD1 3.82Å; F48-W87 AromaticContact CZ-CG 3.86Å; F48-W87 HydrophobicContact CZ-CG 3.86Å; F48-W87 VanDerWaalsContact N-CE2 3.3Å; F48-W87 VanDerWaalsContact N-CZ2 3.3Å
49T93.2Very high96.1Very high43 Ų4330.2 Ų30.226%0.26416%0.16SC..  trans-110.7-167.4174.760.60000111.9L46 D47 C52 P53L46-T49 HydrophobicContact CB-CG2 3.76Å; L46-T49 PolarHBondContact O-OG1 2.78Å; D47-T49 PolarHBondContact O-N 3.36Å; D47-T49 VanDerWaalsContact O-N 3.15Å; T49-C52 PolarHBondContact OG1-SG 2.56Å; T49-P53 WeakPolarHBondContact O-CD 3.14Å; T49-P53 WeakPolarHBondContact O-CG 3.49Å
50F86.7Confident96.1Very high187 Ų18730 Ų3082%0.8216%0.159SC*.SBendtrans-92-58.6-162.6-48.5-69.8000114.7P53F50-P53 WeakPolarHBondContact O-CD 3.2Å; F50-P53 WeakPolarHBondContact O-CG 3.26Å
51V85.8Confident96.1Very high40 Ų4033.7 Ų33.724%0.24218%0.179CC..Hα-helixtrans-78.4-35.5-177.3174.60000111.3T54 E55V51-T54 WeakPolarHBondContact O-CB 3.4Å; V51-T54 PolarHBondContact O-N 3.18Å; V51-T54 PolarHBondContact O-OG1 2.87Å; V51-E55 HydrophobicContact CG1-CG 4.27Å; V51-E55 PolarHBondContact O-N 3.4Å
52C87.9Confident96.1Very high0 Ų034.8 Ų34.80%019%0.188CC..Hα-helixtrans-51-50-177-53.80000114.5Y44 P45 T49 T54 E55 I56 W87Y44-C52 HydrophobicContact CD2-CB 3.91Å; Y44-C52 HydrophobicContact CG-CB 4.41Å; P45-C52 VanDerWaalsContact CD-SG 3.58Å; T49-C52 PolarHBondContact OG1-SG 2.56Å; C52-T54 PolarHBondContact O-N 3.37Å; C52-E55 PolarHBondContact O-N 2.82Å; C52-I56 WeakPolarHBondContact O-CD1 3.38Å; C52-I56 VanDerWaalsContact O-CG1 3.31Å; C52-I56 WeakPolarHBondContact O-CG1 3.21Å; C52-I56 PolarHBondContact O-N 3.48Å; C52-I56 VanDerWaalsContact O-N 3.1Å; C52-W87 HydrophobicContact CB-CH2 3.9Å
53P92.9Very high96Very high11 Ų1135 Ų357%0.07119%0.189CC..Hα-helixtrans-62.4-33.9179.523.5-32.3000111.8T49 F50 E55 I57 W87 L97T49-P53 WeakPolarHBondContact O-CD 3.14Å; T49-P53 WeakPolarHBondContact O-CG 3.49Å; F50-P53 WeakPolarHBondContact O-CD 3.2Å; F50-P53 WeakPolarHBondContact O-CG 3.26Å; P53-E55 VanDerWaalsContact C-N 3.35Å; P53-E55 PolarHBondContact O-N 3.46Å; P53-I57 HydrophobicContact CB-CD1 4.32Å; P53-I57 WeakPolarHBondContact O-CB 3.46Å; P53-I57 VanDerWaalsContact O-CD1 3.28Å; P53-I57 WeakPolarHBondContact O-CD1 3.41Å; P53-I57 WeakPolarHBondContact O-CG1 3.39Å; P53-I57 PolarHBondContact O-N 3.11Å; P53-W87 HydrophobicContact CB-CH2 4.14Å; P53-W87 HydrophobicContact CB-CZ2 3.64Å; P53-W87 HydrophobicContact CG-CH2 4.46Å; P53-W87 HydrophobicContact CG-CZ2 3.89Å; P53-L97 HydrophobicContact CB-CD2 3.92Å
54T96.1Very high96Very high87 Ų8739 Ų3953%0.53421%0.208SC..Hα-helixtrans-63.1-41.1179.375.40000111.9V51 C52 A58V51-T54 WeakPolarHBondContact O-CB 3.4Å; V51-T54 PolarHBondContact O-N 3.18Å; V51-T54 PolarHBondContact O-OG1 2.87Å; C52-T54 PolarHBondContact O-N 3.37Å; T54-A58 VanDerWaalsContact O-CB 3.27Å; T54-A58 WeakPolarHBondContact O-CB 3.45Å; T54-A58 PolarHBondContact O-N 2.92Å
55E96.8Very high96Very high6 Ų643.2 Ų43.23%0.02823%0.227CC..Hα-helixtrans-70.9-48178.7-62.3-174111.700111.5V51 C52 P53 I57 A58 F59 R128 G150 R151V51-E55 HydrophobicContact CG1-CG 4.27Å; V51-E55 PolarHBondContact O-N 3.4Å; C52-E55 PolarHBondContact O-N 2.82Å; P53-E55 VanDerWaalsContact C-N 3.35Å; P53-E55 PolarHBondContact O-N 3.46Å; E55-I57 VanDerWaalsContact C-N 3.32Å; E55-I57 PolarHBondContact O-N 3.49Å; E55-A58 PolarHBondContact O-N 3.09Å; E55-F59 WeakPolarHBondContact O-CD2 3.4Å; E55-F59 PolarHBondContact O-N 3.24Å; E55-R128 IonicContact OE2-CZ 3.83Å; E55-R128 IonicContact OE2-NE 2.72Å; E55-R128 IonicContact OE2-NH1 3.35Å; E55-R128 PolarHBondContact OE2-NH1 3.08Å; E55-G150 WeakPolarHBondContact OE1-CA 3.25Å; E55-R151 VanDerWaalsContact CD-NH2 3.29Å; E55-R151 WeakPolarHBondContact OE1-CB 3.07Å; E55-R151 IonicContact OE1-CZ 2.73Å; E55-R151 PolarHBondContact OE1-N 3.32Å; E55-R151 IonicContact OE1-NE 2.76Å; E55-R151 PolarHBondContact OE1-NE 3.43Å; E55-R151 IonicContact OE1-NH2 2.76Å; E55-R151 PolarHBondContact OE1-NH2 3.23Å; E55-R151 IonicContact OE2-CZ 2.65Å; E55-R151 IonicContact OE2-NE 2.7Å; E55-R151 IonicContact OE2-NH2 3.83Å; E55-R151 PolarHBondContact OE2-NH2 3.44Å
56I98.3Very high96.1Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-62.4-43.4-178.1-61162.4000110.2F42 Y44 C52 S60 W87 L97 M100 I102 L104F42-I56 HydrophobicContact CE2-CG1 4.1Å; F42-I56 HydrophobicContact CZ-CG1 4.21Å; Y44-I56 HydrophobicContact CD1-CD1 3.76Å; Y44-I56 HydrophobicContact CD1-CG1 4.07Å; Y44-I56 HydrophobicContact CD2-CD1 3.94Å; Y44-I56 HydrophobicContact CE1-CD1 3.63Å; Y44-I56 HydrophobicContact CE1-CG1 4.2Å; Y44-I56 HydrophobicContact CE2-CD1 3.79Å; Y44-I56 HydrophobicContact CG-CD1 3.92Å; Y44-I56 HydrophobicContact CG-CG1 4.43Å; C52-I56 WeakPolarHBondContact O-CD1 3.38Å; C52-I56 VanDerWaalsContact O-CG1 3.31Å; C52-I56 WeakPolarHBondContact O-CG1 3.21Å; C52-I56 PolarHBondContact O-N 3.48Å; C52-I56 VanDerWaalsContact O-N 3.1Å; I56-S60 WeakPolarHBondContact O-CB 3.45Å; I56-S60 PolarHBondContact O-N 3.24Å; I56-W87 HydrophobicContact CD1-CH2 3.9Å; I56-W87 HydrophobicContact CD1-CZ3 3.55Å; I56-L97 HydrophobicContact CB-CD2 3.97Å; I56-L97 HydrophobicContact CD1-CD1 4.45Å; I56-L97 HydrophobicContact CD1-CD2 4.12Å; I56-L97 HydrophobicContact CG2-CD1 4.05Å; I56-L97 HydrophobicContact CG2-CD2 3.94Å; I56-M100 HydrophobicContact CG2-SD 3.78Å; I56-I102 HydrophobicContact CG2-CD1 4.36Å; I56-L104 HydrophobicContact CG2-CD2 3.88Å
57I98.5Very high96.1Very high30 Ų3043.6 Ų43.615%0.15422%0.224CC..Hα-helixtrans-62.3-47.1175.8-72.8164.7000110.8P53 E55 F59 S60 D61 R92 L97 M100P53-I57 HydrophobicContact CB-CD1 4.32Å; P53-I57 WeakPolarHBondContact O-CB 3.46Å; P53-I57 VanDerWaalsContact O-CD1 3.28Å; P53-I57 WeakPolarHBondContact O-CD1 3.41Å; P53-I57 WeakPolarHBondContact O-CG1 3.39Å; P53-I57 PolarHBondContact O-N 3.11Å; E55-I57 VanDerWaalsContact C-N 3.32Å; E55-I57 PolarHBondContact O-N 3.49Å; I57-F59 PolarHBondContact O-N 3.33Å; I57-S60 PolarHBondContact O-N 3.39Å; I57-D61 WeakPolarHBondContact CG2-OD2 3.46Å; I57-D61 WeakPolarHBondContact O-CB 3.42Å; I57-D61 VanDerWaalsContact O-CG 3.29Å; I57-D61 PolarHBondContact O-N 2.76Å; I57-R92 HydrophobicContact CD1-CB 4.48Å; I57-R92 HydrophobicContact CD1-CG 3.86Å; I57-R92 VanDerWaalsContact CG2-CZ 3.47Å; I57-L97 HydrophobicContact CG1-CD2 4.32Å; I57-M100 HydrophobicContact CG1-CE 4.3Å
58A98.6Very high96.1Very high41 Ų4150 Ų5034%0.33925%0.252SS..Hα-helixtrans-61.8-43.3-178.400000112T54 E55 A62 V153T54-A58 VanDerWaalsContact O-CB 3.27Å; T54-A58 WeakPolarHBondContact O-CB 3.45Å; T54-A58 PolarHBondContact O-N 2.92Å; E55-A58 PolarHBondContact O-N 3.09Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 2.98Å; A58-A62 VanDerWaalsContact O-N 3.08Å; A58-V153 HydrophobicContact CB-CG2 3.68Å
59F98.8Very high96.2Very high1 Ų147 Ų470%0.00424%0.24CC..Hα-helixtrans-67.3-40.3174-84.6-68.8000112.7V40 F42 E55 I57 A62 A63 F66 V73 I102 L130 V153 T156V40-F59 HydrophobicContact CG1-CE1 4.25Å; F42-F59 HydrophobicContact CD1-CD2 4.28Å; F42-F59 HydrophobicContact CE1-CB 4.06Å; F42-F59 AromaticContact CE1-CD2 3.9Å; F42-F59 HydrophobicContact CE1-CD2 3.9Å; F42-F59 AromaticContact CE1-CG 4Å; F42-F59 HydrophobicContact CE1-CG 4Å; F42-F59 HydrophobicContact CE2-CD2 4.29Å; F42-F59 HydrophobicContact CZ-CB 4.23Å; F42-F59 AromaticContact CZ-CD2 3.9Å; F42-F59 HydrophobicContact CZ-CD2 3.9Å; F42-F59 HydrophobicContact CZ-CG 4.3Å; E55-F59 WeakPolarHBondContact O-CD2 3.4Å; E55-F59 PolarHBondContact O-N 3.24Å; I57-F59 PolarHBondContact O-N 3.33Å; F59-A62 CarbonylContact O-C 3.16Å; F59-A62 PolarHBondContact O-N 2.91Å; F59-A63 PolarHBondContact O-N 3.45Å; F59-F66 HydrophobicContact CD1-CE2 4.01Å; F59-F66 HydrophobicContact CD1-CZ 4.2Å; F59-F66 HydrophobicContact CE1-CE2 4.23Å; F59-F66 AromaticContact CE1-CZ 3.95Å; F59-F66 HydrophobicContact CE1-CZ 3.95Å; F59-V73 HydrophobicContact CB-CG1 4.07Å; F59-V73 HydrophobicContact CD1-CG1 3.93Å; F59-V73 HydrophobicContact CG-CG1 4.18Å; F59-I102 HydrophobicContact CB-CD1 4.13Å; F59-L130 HydrophobicContact CE1-CD1 4.48Å; F59-L130 HydrophobicContact CE2-CD1 4.21Å; F59-L130 HydrophobicContact CZ-CD1 3.65Å; F59-V153 HydrophobicContact CD1-CG1 4.14Å; F59-V153 HydrophobicContact CD1-CG2 4.04Å; F59-V153 HydrophobicContact CD2-CG2 3.99Å; F59-V153 HydrophobicContact CE1-CB 4.34Å; F59-V153 HydrophobicContact CE1-CG1 4.15Å; F59-V153 HydrophobicContact CE1-CG2 4.03Å; F59-V153 HydrophobicContact CE2-CG2 3.97Å; F59-V153 HydrophobicContact CG-CG2 4.01Å; F59-V153 HydrophobicContact CZ-CG2 3.99Å; F59-T156 HydrophobicContact CE1-CG2 3.95Å; F59-T156 HydrophobicContact CZ-CG2 4.22Å
60S98.6Very high96.4Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-61.6-44175.9175.20000111.6I56 I57 A62 A63 K101I56-S60 WeakPolarHBondContact O-CB 3.45Å; I56-S60 PolarHBondContact O-N 3.24Å; I57-S60 PolarHBondContact O-N 3.39Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 3.46Å; S60-A63 VanDerWaalsContact O-CB 3.27Å; S60-A63 WeakPolarHBondContact O-CB 3.4Å; S60-A63 PolarHBondContact O-N 3.31Å; S60-K101 WeakPolarHBondContact O-CD 3.33Å; S60-K101 PolarHBondContact OG-N 3.04Å
61D98.6Very high97Very high77 Ų7737.8 Ų37.841%0.41221%0.206SC..Hα-helixtrans-68.9-34.5-179.2-70-10000111.2I57 R92I57-D61 WeakPolarHBondContact CG2-OD2 3.46Å; I57-D61 WeakPolarHBondContact O-CB 3.42Å; I57-D61 VanDerWaalsContact O-CG 3.29Å; I57-D61 PolarHBondContact O-N 2.76Å; D61-R92 IonicContact OD1-CZ 3.53Å; D61-R92 IonicContact OD1-NH1 3.12Å; D61-R92 PolarHBondContact OD1-NH1 3.49Å; D61-R92 IonicContact OD1-NH2 2.8Å; D61-R92 PolarHBondContact OD1-NH2 3.01Å; D61-R92 IonicContact OD2-CZ 3.69Å; D61-R92 IonicContact OD2-NH1 2.85Å; D61-R92 PolarHBondContact OD2-NH1 3.03Å; D61-R92 IonicContact OD2-NH2 2.67Å
62A98.6Very high97.6Very high23 Ų2337.2 Ų37.219%0.1920%0.201CC..THydrogen-bonded Turntrans-84.7-0.1175.200000114.9A58 F59 S60 E64 E65 F66 V153A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 2.98Å; A58-A62 VanDerWaalsContact O-N 3.08Å; F59-A62 CarbonylContact O-C 3.16Å; F59-A62 PolarHBondContact O-N 2.91Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 3.46Å; A62-E64 PolarHBondContact O-N 2.96Å; A62-E64 VanDerWaalsContact O-N 3.09Å; A62-E65 WeakPolarHBondContact O-CB 3.38Å; A62-E65 PolarHBondContact O-N 3.2Å; A62-F66 HydrophobicContact CB-CE2 4.22Å; A62-F66 WeakPolarHBondContact O-CD2 3.43Å; A62-F66 PolarHBondContact O-N 2.94Å; A62-V153 HydrophobicContact CB-CG1 3.7Å
63A98.5Very high98.1Very high3 Ų337.3 Ų37.33%0.02520%0.201CC..Hα-helixtrans-55.2-35.4-171.700000113.5F59 S60 E65 F66 R67 K101 I102F59-A63 PolarHBondContact O-N 3.45Å; S60-A63 VanDerWaalsContact O-CB 3.27Å; S60-A63 WeakPolarHBondContact O-CB 3.4Å; S60-A63 PolarHBondContact O-N 3.31Å; A63-E65 VanDerWaalsContact C-N 3.33Å; A63-E65 PolarHBondContact O-N 2.7Å; A63-F66 PolarHBondContact O-N 2.76Å; A63-R67 WeakPolarHBondContact O-CG 3.44Å; A63-R67 PolarHBondContact O-N 2.9Å; A63-K101 HydrophobicContact CB-CB 4.02Å; A63-I102 HydrophobicContact CB-CG2 3.77Å
64E98.5Very high98.4Very high85 Ų8536.8 Ų36.840%0.39720%0.198SC..Hα-helixtrans-67.2-31.5177.3-66-54133.400113A62 F66 R67 K68A62-E64 PolarHBondContact O-N 2.96Å; A62-E64 VanDerWaalsContact O-N 3.09Å; E64-F66 VanDerWaalsContact C-N 3.34Å; E64-R67 PolarHBondContact O-N 3.24Å; E64-R67 IonicContact OE1-CZ 3.97Å; E64-R67 IonicContact OE1-NH1 3.28Å; E64-R67 PolarHBondContact OE1-NH1 2.79Å; E64-K68 VanDerWaalsContact O-CG 3.25Å; E64-K68 WeakPolarHBondContact O-CG 3.47Å; E64-K68 PolarHBondContact O-N 2.63Å
65E98.6Very high98.6Very high89 Ų8932.7 Ų32.742%0.41617%0.173SC..Hα-helixtrans-67.5-37175.8-60.4-52.7133.400111.5A62 A63 K68 L157A62-E65 WeakPolarHBondContact O-CB 3.38Å; A62-E65 PolarHBondContact O-N 3.2Å; A63-E65 VanDerWaalsContact C-N 3.33Å; A63-E65 PolarHBondContact O-N 2.7Å; E65-K68 VanDerWaalsContact CD-NZ 3.34Å; E65-K68 IonicContact OE1-NZ 3.77Å; E65-K68 PolarHBondContact OE1-NZ 3.35Å; E65-K68 IonicContact OE2-NZ 2.72Å; E65-K68 PolarHBondContact OE2-NZ 2.85Å; E65-L157 HydrophobicContact CB-CD2 4.27Å
66F98.8Very high98.7Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-67.5-44171.6-69.8-84.8000111.3V40 F59 A62 A63 E64 K68 I69 G70 C71 V73 V153 T156 L157 V160V40-F66 HydrophobicContact CG2-CD1 4.12Å; V40-F66 HydrophobicContact CG2-CE1 3.9Å; F59-F66 HydrophobicContact CD1-CE2 4.01Å; F59-F66 HydrophobicContact CD1-CZ 4.2Å; F59-F66 HydrophobicContact CE1-CE2 4.23Å; F59-F66 AromaticContact CE1-CZ 3.95Å; F59-F66 HydrophobicContact CE1-CZ 3.95Å; A62-F66 HydrophobicContact CB-CE2 4.22Å; A62-F66 WeakPolarHBondContact O-CD2 3.43Å; A62-F66 PolarHBondContact O-N 2.94Å; A63-F66 PolarHBondContact O-N 2.76Å; E64-F66 VanDerWaalsContact C-N 3.34Å; F66-K68 VanDerWaalsContact C-N 3.34Å; F66-K68 PolarHBondContact O-N 3.1Å; F66-I69 CarbonylContact O-C 3.6Å; F66-I69 WeakPolarHBondContact O-CG1 3.46Å; F66-I69 PolarHBondContact O-N 2.98Å; F66-I69 VanDerWaalsContact O-N 3.12Å; F66-G70 PolarHBondContact O-N 3.38Å; F66-C71 CarbonylContact C-O 3.54Å; F66-C71 HydrophobicContact CB-CB 4.1Å; F66-C71 WeakPolarHBondContact CB-O 3.42Å; F66-C71 HydrophobicContact CD1-CB 4.36Å; F66-C71 WeakPolarHBondContact O-CA 3.05Å; F66-C71 WeakPolarHBondContact O-CB 3.33Å; F66-C71 PolarHBondContact O-N 3.41Å; F66-C71 VanDerWaalsContact O-O 3.11Å; F66-V73 HydrophobicContact CB-CG2 3.81Å; F66-V73 HydrophobicContact CD1-CG2 4.08Å; F66-V73 HydrophobicContact CD2-CG2 3.61Å; F66-V73 HydrophobicContact CE2-CG2 4.2Å; F66-V73 HydrophobicContact CG-CG2 3.55Å; F66-V153 HydrophobicContact CE2-CG1 3.88Å; F66-V153 HydrophobicContact CZ-CG1 4.17Å; F66-T156 HydrophobicContact CE1-CG2 4.07Å; F66-T156 HydrophobicContact CZ-CG2 4.16Å; F66-L157 HydrophobicContact CD1-CD1 3.89Å; F66-L157 HydrophobicContact CE1-CB 4.07Å; F66-L157 HydrophobicContact CE1-CD1 3.86Å; F66-L157 HydrophobicContact CG-CD1 4.27Å; F66-L157 HydrophobicContact CZ-CB 3.94Å; F66-L157 HydrophobicContact CZ-CD1 4.22Å; F66-V160 HydrophobicContact CD1-CG2 4.47Å; F66-V160 HydrophobicContact CE1-CG2 4.27Å
67R98.7Very high98.7Very high75 Ų7532.4 Ų32.428%0.28317%0.171SC..Hα-helixtrans-63-37.3179.6-74.2177.9-177.5138.26.3113.3A63 E64 I69 G70 C71 E72 K101A63-R67 WeakPolarHBondContact O-CG 3.44Å; A63-R67 PolarHBondContact O-N 2.9Å; E64-R67 PolarHBondContact O-N 3.24Å; E64-R67 IonicContact OE1-CZ 3.97Å; E64-R67 IonicContact OE1-NH1 3.28Å; E64-R67 PolarHBondContact OE1-NH1 2.79Å; R67-I69 PolarHBondContact O-N 2.9Å; R67-G70 PolarHBondContact O-N 3.31Å; R67-C71 WeakPolarHBondContact CA-O 3.33Å; R67-C71 PolarHBondContact N-O 3.11Å; R67-C71 VanDerWaalsContact N-O 3.16Å; R67-E72 IonicContact CZ-OE2 3.75Å; R67-E72 IonicContact NE-OE2 3.53Å; R67-E72 PolarHBondContact NE-OE2 2.92Å; R67-E72 VanDerWaalsContact NE-OE2 3.14Å; R67-E72 IonicContact NH2-OE2 2.83Å; R67-K101 PolarHBondContact NH2-O 3.38Å
68K98.7Very high98.7Very high144 Ų14431.4 Ų31.463%0.62617%0.167SC*.Hα-helixtrans-56.3-30.2175.4-77.9170.6-170.5172.20113E64 E65 F66E64-K68 VanDerWaalsContact O-CG 3.25Å; E64-K68 WeakPolarHBondContact O-CG 3.47Å; E64-K68 PolarHBondContact O-N 2.63Å; E65-K68 VanDerWaalsContact CD-NZ 3.34Å; E65-K68 IonicContact OE1-NZ 3.77Å; E65-K68 PolarHBondContact OE1-NZ 3.35Å; E65-K68 IonicContact OE2-NZ 2.72Å; E65-K68 PolarHBondContact OE2-NZ 2.85Å; F66-K68 VanDerWaalsContact C-N 3.34Å; F66-K68 PolarHBondContact O-N 3.1Å
69I98.5Very high98.7Very high46 Ų4630.9 Ų30.924%0.23616%0.158CC..THydrogen-bonded Turntrans-100.916.817766172.2000112.6F66 R67 C71 L157 V160 Q161 Q164F66-I69 CarbonylContact O-C 3.6Å; F66-I69 WeakPolarHBondContact O-CG1 3.46Å; F66-I69 PolarHBondContact O-N 2.98Å; F66-I69 VanDerWaalsContact O-N 3.12Å; R67-I69 PolarHBondContact O-N 2.9Å; I69-C71 HydrophobicContact CG1-CB 4.23Å; I69-L157 HydrophobicContact CD1-CD1 3.66Å; I69-V160 HydrophobicContact CD1-CB 4.22Å; I69-V160 HydrophobicContact CD1-CG1 3.61Å; I69-V160 HydrophobicContact CG1-CG1 4.43Å; I69-Q161 HydrophobicContact CD1-CG 3.76Å; I69-Q164 PolarHBondContact O-NE2 2.77Å; I69-Q164 PolarHBondContact O-OE1 2.92Å
70G98.6Very high98.7Very high36 Ų3632.8 Ų32.837%0.37117%0.172SC..THydrogen-bonded Turntrans70.831.3178.200000113.9Y38 F66 R67Y38-G70 PolarHBondContact N-O 2.85Å; F66-G70 PolarHBondContact O-N 3.38Å; R67-G70 PolarHBondContact O-N 3.31Å
71C98.9Very high98.7Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-118.1134.9176.8-177.80000111.4Y38 F66 R67 I69 V160Y38-C71 CarbonylContact O-C 3.44Å; Y38-C71 VanDerWaalsContact O-CA 3.24Å; Y38-C71 WeakPolarHBondContact O-CA 3.23Å; F66-C71 CarbonylContact C-O 3.54Å; F66-C71 HydrophobicContact CB-CB 4.1Å; F66-C71 WeakPolarHBondContact CB-O 3.42Å; F66-C71 HydrophobicContact CD1-CB 4.36Å; F66-C71 WeakPolarHBondContact O-CA 3.05Å; F66-C71 WeakPolarHBondContact O-CB 3.33Å; F66-C71 PolarHBondContact O-N 3.41Å; F66-C71 VanDerWaalsContact O-O 3.11Å; R67-C71 WeakPolarHBondContact CA-O 3.33Å; R67-C71 PolarHBondContact N-O 3.11Å; R67-C71 VanDerWaalsContact N-O 3.16Å; I69-C71 HydrophobicContact CG1-CB 4.23Å; C71-V160 HydrophobicContact CB-CG1 3.98Å
72E98.8Very high98.7Very high27 Ų2736.9 Ų36.913%0.12619%0.186CC..EExtended strand (participates in β ladder)trans-103.3153.7170.7-61.7-69.3170.600110.5Y34 K37 Y38 V39 V40 R67Y34-E72 HydrophobicContact CD1-CB 3.75Å; Y34-E72 HydrophobicContact CD1-CG 3.79Å; Y34-E72 HydrophobicContact CE1-CB 3.65Å; Y34-E72 HydrophobicContact CE1-CG 3.75Å; K37-E72 HydrophobicContact CD-CG 3.71Å; K37-E72 IonicContact NZ-OE1 3.28Å; K37-E72 PolarHBondContact NZ-OE1 3.38Å; Y38-E72 PolarHBondContact O-N 3.13Å; V39-E72 CarbonylContact C-O 3.52Å; V39-E72 WeakPolarHBondContact CA-O 3.46Å; V40-E72 PolarHBondContact N-O 3.44Å; R67-E72 IonicContact CZ-OE2 3.75Å; R67-E72 IonicContact NE-OE2 3.53Å; R67-E72 PolarHBondContact NE-OE2 2.92Å; R67-E72 VanDerWaalsContact NE-OE2 3.14Å; R67-E72 IonicContact NH2-OE2 2.83Å
73V98.9Very high98.7Very high3 Ų337 Ų372%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-119.5133.3179.1-175.90000109V40 F42 F59 F66 I102 P103V40-V73 HydrophobicContact CB-CG1 4.35Å; V40-V73 HydrophobicContact CB-CG2 4.23Å; V40-V73 HydrophobicContact CG1-CG1 4.32Å; V40-V73 CarbonylContact O-C 3.51Å; V40-V73 WeakPolarHBondContact O-CA 3.44Å; F42-V73 HydrophobicContact CD1-CG1 4.05Å; F42-V73 HydrophobicContact CE1-CG1 3.78Å; F59-V73 HydrophobicContact CB-CG1 4.07Å; F59-V73 HydrophobicContact CD1-CG1 3.93Å; F59-V73 HydrophobicContact CG-CG1 4.18Å; F66-V73 HydrophobicContact CB-CG2 3.81Å; F66-V73 HydrophobicContact CD1-CG2 4.08Å; F66-V73 HydrophobicContact CD2-CG2 3.61Å; F66-V73 HydrophobicContact CE2-CG2 4.2Å; F66-V73 HydrophobicContact CG-CG2 3.55Å; V73-I102 HydrophobicContact CB-CG2 3.88Å; V73-I102 HydrophobicContact CG1-CD1 4.35Å; V73-I102 HydrophobicContact CG1-CG2 4.28Å; V73-I102 WeakPolarHBondContact O-CB 3.33Å; V73-P103 WeakPolarHBondContact O-CD 3.48Å
74I98.9Very high98.7Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-133.1128.3-177.6-54.4175.8000108.3L29 Y34 V39 V40 F41 F42 P103 V105L29-I74 HydrophobicContact CD1-CD1 4.49Å; L29-I74 HydrophobicContact CD2-CD1 4.14Å; Y34-I74 HydrophobicContact CD1-CD1 4.33Å; Y34-I74 HydrophobicContact CD2-CD1 4.11Å; Y34-I74 HydrophobicContact CE1-CD1 3.95Å; Y34-I74 HydrophobicContact CE1-CG1 4.44Å; Y34-I74 HydrophobicContact CE2-CD1 3.73Å; Y34-I74 HydrophobicContact CG-CD1 4.41Å; V39-I74 HydrophobicContact CG1-CD1 3.79Å; V39-I74 HydrophobicContact CG1-CG1 4.18Å; V40-I74 PolarHBondContact O-N 3.46Å; F41-I74 WeakPolarHBondContact CA-O 3.5Å; F41-I74 HydrophobicContact CD2-CB 3.94Å; F41-I74 HydrophobicContact CD2-CG2 3.82Å; F41-I74 HydrophobicContact CE2-CG2 4Å; F42-I74 VanDerWaalsContact CD1-O 3.29Å; F42-I74 WeakPolarHBondContact CD1-O 3.35Å; F42-I74 PolarHBondContact N-O 2.8Å; I74-P103 HydrophobicContact CB-CG 4.25Å; I74-P103 HydrophobicContact CG1-CG 3.87Å; I74-P103 HydrophobicContact CG2-CG 4.13Å; I74-V105 HydrophobicContact CG2-CG2 3.58Å
75A98.9Very high98.7Very high0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-100.7150.9173.400000110.6F42 Y44 I102 P103 L104 V105F42-A75 HydrophobicContact CD1-CB 4.33Å; F42-A75 HydrophobicContact CE1-CB 3.61Å; F42-A75 HydrophobicContact CE2-CB 3.85Å; F42-A75 HydrophobicContact CZ-CB 3.34Å; F42-A75 CarbonylContact O-C 3.55Å; F42-A75 VanDerWaalsContact O-CA 3.29Å; F42-A75 WeakPolarHBondContact O-CA 3.43Å; Y44-A75 HydrophobicContact CD1-CB 4.36Å; Y44-A75 HydrophobicContact CE1-CB 4.03Å; A75-I102 HydrophobicContact CB-CD1 4.32Å; A75-P103 PolarHBondContact N-O 3.25Å; A75-P103 VanDerWaalsContact N-O 3.08Å; A75-L104 HydrophobicContact CB-CD2 3.68Å; A75-V105 PolarHBondContact O-N 3.2Å
76A98.9Very high98.7Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-142.7148172.600000112.9F41 F42 F43 Y44 V105F41-A76 HydrophobicContact CE2-CB 3.62Å; F41-A76 HydrophobicContact CZ-CB 3.83Å; F42-A76 PolarHBondContact O-N 3.4Å; F43-A76 CarbonylContact C-O 3.52Å; F43-A76 WeakPolarHBondContact CA-O 3.42Å; F43-A76 HydrophobicContact CD1-CB 3.9Å; F43-A76 HydrophobicContact CE1-CB 4.03Å; Y44-A76 WeakPolarHBondContact CD1-O 3.36Å; Y44-A76 WeakPolarHBondContact CE1-O 3.37Å; Y44-A76 PolarHBondContact N-O 2.77Å; A76-V105 VanDerWaalsContact CA-O 3.28Å; A76-V105 WeakPolarHBondContact CA-O 3.2Å; A76-V105 HydrophobicContact CB-CB 4Å; A76-V105 HydrophobicContact CB-CG1 4.36Å
77S98.9Very high98.7Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-143.7-178.7160.879.30000110Y44 D79 H84 V105 D107Y44-S77 VanDerWaalsContact CE2-CB 3.46Å; Y44-S77 WeakPolarHBondContact O-CB 3.38Å; S77-D79 PolarHBondContact O-N 2.89Å; S77-D79 WeakPolarHBondContact OG-CB 3.3Å; S77-D79 PolarHBondContact OG-N 3.18Å; S77-D79 VanDerWaalsContact OG-N 3.17Å; S77-D79 PolarHBondContact OG-OD2 2.89Å; S77-H84 PolarHBondContact OG-CE1 2.88Å; S77-H84 VanDerWaalsContact OG-CE1 3.29Å; S77-V105 PolarHBondContact N-O 3.36Å; S77-D107 WeakPolarHBondContact O-CB 3.37Å; S77-D107 PolarHBondContact O-N 3.5Å
78V98.7Very high98.7Very high9 Ų931.8 Ų31.86%0.05517%0.173CC..SBendtrans-79.7-3.1177.5-58.60000113.2L46 D107 T108 R110 I125L46-V78 HydrophobicContact CD2-CG2 4.14Å; V78-D107 WeakPolarHBondContact CA-O 3.35Å; V78-T108 WeakPolarHBondContact O-CA 3.24Å; V78-R110 HydrophobicContact CB-CG 4.28Å; V78-R110 HydrophobicContact CG1-CG 3.76Å; V78-I125 HydrophobicContact CG2-CG2 4.38Å
79D98.8Very high98.7Very high30 Ų3029.9 Ų29.916%0.1617%0.169CC..SBendtrans-73163.3-179-57.4-73.9000111.5L46 D47 S77 S106L46-D79 WeakPolarHBondContact CA-OD2 3.4Å; D47-D79 HydrophobicContact CB-CB 4.38Å; D47-D79 PolarHBondContact N-OD2 3.05Å; S77-D79 PolarHBondContact O-N 2.89Å; S77-D79 WeakPolarHBondContact OG-CB 3.3Å; S77-D79 PolarHBondContact OG-N 3.18Å; S77-D79 VanDerWaalsContact OG-N 3.17Å; S77-D79 PolarHBondContact OG-OD2 2.89Å; D79-S106 WeakPolarHBondContact O-CA 3.29Å; D79-S106 WeakPolarHBondContact O-CB 3.48Å; D79-S106 PolarHBondContact O-OG 2.94Å
80S98.8Very high98.7Very high42 Ų4229.2 Ų29.229%0.29417%0.167SC..  trans-79152.917772.10000111.8F82 S83 H84S80-F82 PolarHBondContact O-N 3.19Å; S80-F82 VanDerWaalsContact O-N 3.11Å; S80-S83 WeakPolarHBondContact O-CA 3.33Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.47Å; S80-S83 PolarHBondContact O-N 3.47Å; S80-S83 PolarHBondContact OG-N 3.24Å; S80-H84 PolarHBondContact O-N 3.1Å
81H98.6Very high98.6Very high34 Ų3430.6 Ų30.616%0.15717%0.169CC..Hα-helixtrans-57.6-25.3172.356.2-81.4000113.1K18 V20 F26 F85 S106K18-H81 HydrophobicContact CB-CB 4.34Å; V20-H81 HydrophobicContact CG2-CB 4.13Å; V20-H81 WeakPolarHBondContact CG2-O 3.43Å; F26-H81 AromaticContact CD2-CD2 3.7Å; F26-H81 AromaticContact CE2-CD2 3.83Å; F26-H81 AromaticContact CG-CD2 3.92Å; H81-F85 WeakPolarHBondContact O-CB 3.45Å; H81-F85 PolarHBondContact O-N 3.42Å; H81-S106 VanDerWaalsContact N-CB 3.26Å; H81-S106 PolarHBondContact N-OG 3.32Å
82F98.7Very high98.6Very high128 Ų12835.3 Ų35.356%0.56119%0.187SC*.Hα-helixtrans-68.6-40.6171.1-60.7-70.6000112.5F26 S80 F85 A86F26-F82 AromaticContact CE2-CD1 3.97Å; F26-F82 HydrophobicContact CE2-CD1 3.97Å; F26-F82 AromaticContact CE2-CE1 3.78Å; F26-F82 HydrophobicContact CE2-CE1 3.78Å; F26-F82 HydrophobicContact CZ-CD1 4.17Å; F26-F82 HydrophobicContact CZ-CE1 4.44Å; S80-F82 PolarHBondContact O-N 3.19Å; S80-F82 VanDerWaalsContact O-N 3.11Å; F82-F85 PolarHBondContact O-N 2.92Å; F82-A86 WeakPolarHBondContact O-CB 3.3Å; F82-A86 PolarHBondContact O-N 2.73Å
83S98.8Very high98.4Very high27 Ų2744 Ų4419%0.18923%0.225CC..Hα-helixtrans-62.2-48.4174.2-178.90000110.5D47 S80 F85 A86 W87D47-S83 VanDerWaalsContact OD2-CB 3.25Å; D47-S83 WeakPolarHBondContact OD2-CB 3.43Å; D47-S83 PolarHBondContact OD2-OG 2.77Å; S80-S83 WeakPolarHBondContact O-CA 3.33Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.47Å; S80-S83 PolarHBondContact O-N 3.47Å; S80-S83 PolarHBondContact OG-N 3.24Å; S83-F85 VanDerWaalsContact C-N 3.31Å; S83-F85 PolarHBondContact O-N 2.8Å; S83-A86 PolarHBondContact O-N 2.84Å; S83-W87 WeakPolarHBondContact O-CB 3.31Å; S83-W87 PolarHBondContact O-N 2.84Å
84H98.8Very high98.3Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-54.8-48.2175.6-64.6-18.1000111.4V20 Y44 D47 S77 S80 A86 W87 T88 L104 V105V20-H84 HydrophobicContact CB-CB 4.36Å; V20-H84 HydrophobicContact CG2-CB 3.61Å; Y44-H84 PolarHBondContact OH-CE1 2.71Å; Y44-H84 PolarHBondContact OH-ND1 2.97Å; D47-H84 IonicContact OD1-CE1 3.43Å; D47-H84 IonicContact OD1-ND1 3.27Å; D47-H84 PolarHBondContact OD1-ND1 3.43Å; D47-H84 VanDerWaalsContact OD1-ND1 3.12Å; D47-H84 WeakPolarHBondContact OD2-CA 3.3Å; D47-H84 IonicContact OD2-CE1 3.74Å; D47-H84 IonicContact OD2-CG 3.7Å; D47-H84 PolarHBondContact OD2-N 3.1Å; D47-H84 VanDerWaalsContact OD2-N 3.11Å; D47-H84 IonicContact OD2-ND1 2.83Å; D47-H84 PolarHBondContact OD2-ND1 3.16Å; S77-H84 PolarHBondContact OG-CE1 2.88Å; S77-H84 VanDerWaalsContact OG-CE1 3.29Å; S80-H84 PolarHBondContact O-N 3.1Å; H84-A86 PolarHBondContact O-N 2.78Å; H84-W87 PolarHBondContact O-N 3.34Å; H84-W87 VanDerWaalsContact O-N 3.11Å; H84-T88 WeakPolarHBondContact O-CG2 3.17Å; H84-T88 PolarHBondContact O-N 3.19Å; H84-T88 PolarHBondContact O-OG1 2.89Å; H84-L104 HydrophobicContact CB-CB 4.21Å; H84-L104 HydrophobicContact CB-CD1 4.11Å; H84-L104 PolarHBondContact CD2-O 2.8Å; H84-V105 PolarHBondContact NE2-O 2.9Å
85F98.6Very high98.1Very high79 Ų7952.9 Ų52.935%0.34628%0.277SS..Hα-helixtrans-61.3-44.7179.4-178.2-105.9000112.5V20 F26 H81 F82 S83 W87 T88 N89V20-F85 HydrophobicContact CG1-CD2 4.4Å; V20-F85 HydrophobicContact CG2-CB 4.2Å; F26-F85 HydrophobicContact CE1-CB 3.73Å; F26-F85 AromaticContact CE1-CD2 3.95Å; F26-F85 HydrophobicContact CE1-CD2 3.95Å; F26-F85 AromaticContact CE1-CG 3.91Å; F26-F85 HydrophobicContact CE1-CG 3.91Å; F26-F85 HydrophobicContact CZ-CB 3.91Å; F26-F85 HydrophobicContact CZ-CD1 4.4Å; F26-F85 HydrophobicContact CZ-CD2 4.33Å; F26-F85 AromaticContact CZ-CG 3.96Å; F26-F85 HydrophobicContact CZ-CG 3.96Å; H81-F85 WeakPolarHBondContact O-CB 3.45Å; H81-F85 PolarHBondContact O-N 3.42Å; F82-F85 PolarHBondContact O-N 2.92Å; S83-F85 VanDerWaalsContact C-N 3.31Å; S83-F85 PolarHBondContact O-N 2.8Å; F85-W87 PolarHBondContact O-N 2.79Å; F85-T88 WeakPolarHBondContact CA-OG1 3.43Å; F85-T88 PolarHBondContact O-N 2.82Å; F85-T88 PolarHBondContact O-OG1 2.94Å; F85-N89 WeakPolarHBondContact CD1-ND2 3.42Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.42Å; F85-N89 WeakPolarHBondContact CE2-ND2 3.24Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.46Å; F85-N89 PolarHBondContact O-N 3.17Å; F85-N89 PolarHBondContact O-ND2 2.65Å
86A98.6Very high98.1Very high45 Ų4552.9 Ų52.937%0.37228%0.277SS..Hα-helixtrans-59.9-39.7174.700000111.3F48 F82 S83 H84 N89 T90F48-A86 HydrophobicContact CZ-CB 4.2Å; F82-A86 WeakPolarHBondContact O-CB 3.3Å; F82-A86 PolarHBondContact O-N 2.73Å; S83-A86 PolarHBondContact O-N 2.84Å; H84-A86 PolarHBondContact O-N 2.78Å; A86-N89 PolarHBondContact O-N 2.73Å; A86-T90 PolarHBondContact O-N 2.73Å; A86-T90 VanDerWaalsContact O-N 3.12Å; A86-T90 PolarHBondContact O-OG1 2.87Å
87W98.5Very high98Very high0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-71.2-35.9-179.9-157.825.6000113Y44 D47 F48 C52 P53 I56 S83 H84 F85 N89 T90 G95 L97Y44-W87 HydrophobicContact CE2-CH2 4.5Å; Y44-W87 AromaticContact CE2-CZ3 3.77Å; Y44-W87 HydrophobicContact CE2-CZ3 3.77Å; D47-W87 HydrophobicContact CB-CD2 4.17Å; D47-W87 HydrophobicContact CB-CE3 3.72Å; D47-W87 HydrophobicContact CB-CZ3 4.08Å; D47-W87 VanDerWaalsContact CG-CE3 3.48Å; D47-W87 VanDerWaalsContact OD1-CZ3 3.3Å; D47-W87 WeakPolarHBondContact OD1-CZ3 3.45Å; F48-W87 AromaticContact CD1-CD1 3.42Å; F48-W87 VanDerWaalsContact CD1-CD1 3.42Å; F48-W87 HydrophobicContact CD1-CG 4.09Å; F48-W87 AromaticContact CD1-NE1 3.8Å; F48-W87 HydrophobicContact CD2-CG 4.37Å; F48-W87 HydrophobicContact CE1-CB 3.98Å; F48-W87 AromaticContact CE1-CD1 3.33Å; F48-W87 AromaticContact CE1-CG 3.85Å; F48-W87 HydrophobicContact CE1-CG 3.85Å; F48-W87 HydrophobicContact CE2-CB 3.85Å; F48-W87 HydrophobicContact CE2-CG 4.12Å; F48-W87 HydrophobicContact CG-CG 4.34Å; F48-W87 HydrophobicContact CZ-CB 3.53Å; F48-W87 AromaticContact CZ-CD1 3.82Å; F48-W87 AromaticContact CZ-CG 3.86Å; F48-W87 HydrophobicContact CZ-CG 3.86Å; F48-W87 VanDerWaalsContact N-CE2 3.3Å; F48-W87 VanDerWaalsContact N-CZ2 3.3Å; C52-W87 HydrophobicContact CB-CH2 3.9Å; P53-W87 HydrophobicContact CB-CH2 4.14Å; P53-W87 HydrophobicContact CB-CZ2 3.64Å; P53-W87 HydrophobicContact CG-CH2 4.46Å; P53-W87 HydrophobicContact CG-CZ2 3.89Å; I56-W87 HydrophobicContact CD1-CH2 3.9Å; I56-W87 HydrophobicContact CD1-CZ3 3.55Å; S83-W87 WeakPolarHBondContact O-CB 3.31Å; S83-W87 PolarHBondContact O-N 2.84Å; H84-W87 PolarHBondContact O-N 3.34Å; H84-W87 VanDerWaalsContact O-N 3.11Å; F85-W87 PolarHBondContact O-N 2.79Å; W87-N89 VanDerWaalsContact C-N 3.27Å; W87-N89 PolarHBondContact O-N 2.87Å; W87-T90 WeakPolarHBondContact O-CB 3.45Å; W87-T90 PolarHBondContact O-N 2.86Å; W87-T90 VanDerWaalsContact O-N 3.13Å; W87-G95 PolarHBondContact NE1-O 3.32Å; W87-L97 HydrophobicContact CD2-CD1 3.85Å; W87-L97 HydrophobicContact CD2-CD2 4.14Å; W87-L97 HydrophobicContact CD2-CG 3.6Å; W87-L97 HydrophobicContact CE3-CD1 3.5Å; W87-L97 VanDerWaalsContact CE3-CD1 3.5Å; W87-L97 HydrophobicContact CE3-CD2 4.11Å; W87-L97 HydrophobicContact CE3-CG 3.73Å; W87-L97 HydrophobicContact CG-CD1 4.29Å; W87-L97 HydrophobicContact CG-CG 3.98Å; W87-L97 HydrophobicContact CH2-CD2 4.04Å; W87-L97 HydrophobicContact CZ2-CD2 4.07Å; W87-L97 HydrophobicContact CZ2-CG 4.44Å; W87-L97 HydrophobicContact CZ3-CD1 4Å; W87-L97 HydrophobicContact CZ3-CD2 4.04Å; W87-L97 HydrophobicContact CZ3-CG 4.18Å; W87-L97 PolarHBondContact O-N 2.87Å
88T98.4Very high98Very high18 Ų1853.5 Ų53.511%0.1128%0.283CS..Hα-helixtrans-65.5-29.7170.658.10000112.9H84 F85 T90 L97 G98 M100 L104H84-T88 WeakPolarHBondContact O-CG2 3.17Å; H84-T88 PolarHBondContact O-N 3.19Å; H84-T88 PolarHBondContact O-OG1 2.89Å; F85-T88 WeakPolarHBondContact CA-OG1 3.43Å; F85-T88 PolarHBondContact O-N 2.82Å; F85-T88 PolarHBondContact O-OG1 2.94Å; T88-T90 VanDerWaalsContact C-N 3.3Å; T88-L97 HydrophobicContact CG2-CB 4.47Å; T88-L97 HydrophobicContact CG2-CD1 4.19Å; T88-G98 CarbonylContact O-C 3.58Å; T88-G98 WeakPolarHBondContact O-CA 3.37Å; T88-G98 PolarHBondContact O-N 3.28Å; T88-G98 VanDerWaalsContact O-O 3.09Å; T88-M100 HydrophobicContact CG2-CB 4.46Å; T88-M100 HydrophobicContact CG2-CG 3.73Å; T88-L104 HydrophobicContact CG2-CD1 3.72Å
89N97.9Very high97.9Very high103 Ų10357.4 Ų57.455%0.55132%0.316SS*.THydrogen-bonded Turntrans-81.6-9174.2-72.7-58.7000113.3F85 A86 W87F85-N89 WeakPolarHBondContact CD1-ND2 3.42Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.42Å; F85-N89 WeakPolarHBondContact CE2-ND2 3.24Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.46Å; F85-N89 PolarHBondContact O-N 3.17Å; F85-N89 PolarHBondContact O-ND2 2.65Å; A86-N89 PolarHBondContact O-N 2.73Å; W87-N89 VanDerWaalsContact C-N 3.27Å; W87-N89 PolarHBondContact O-N 2.87Å
90T98.2Very high97.8Very high32 Ų3256.7 Ų56.720%0.19631%0.312CS..SBendtrans-84.5130.4176.5-56.70000109.6A86 W87 T88 Q94 G96 L97 G98A86-T90 PolarHBondContact O-N 2.73Å; A86-T90 VanDerWaalsContact O-N 3.12Å; A86-T90 PolarHBondContact O-OG1 2.87Å; W87-T90 WeakPolarHBondContact O-CB 3.45Å; W87-T90 PolarHBondContact O-N 2.86Å; W87-T90 VanDerWaalsContact O-N 3.13Å; T88-T90 VanDerWaalsContact C-N 3.3Å; T90-Q94 HydrophobicContact CG2-CB 4.27Å; T90-G96 CarbonylContact O-C 3.55Å; T90-G96 VanDerWaalsContact O-CA 3.31Å; T90-G96 WeakPolarHBondContact O-CA 3.21Å; T90-L97 PolarHBondContact O-N 2.79Å; T90-G98 PolarHBondContact O-N 2.76Å; T90-G98 VanDerWaalsContact O-N 3.1Å
91P97.9Very high97.8Very high65 Ų6559.1 Ų59.142%0.42232%0.317SS..  trans-62.3141.9178.6-24.634.5000113.2K93 Q94 G96P91-K93 PolarHBondContact O-N 3.42Å; P91-K93 VanDerWaalsContact O-N 3.14Å; P91-Q94 HydrophobicContact CB-CG 4.49Å; P91-Q94 WeakPolarHBondContact O-CA 3.41Å; P91-Q94 PolarHBondContact O-N 3Å; P91-G96 PolarHBondContact O-N 3.42Å; P91-G96 VanDerWaalsContact O-N 3.08Å
92R97.4Very high97.8Very high99 Ų9957.5 Ų57.537%0.37431%0.31SS..G310 helixtrans-53.7-36.6177.2-64.7-173.9-178.6-1771.6113.7I57 D61 Q94 G95 G96 L97I57-R92 HydrophobicContact CD1-CB 4.48Å; I57-R92 HydrophobicContact CD1-CG 3.86Å; I57-R92 VanDerWaalsContact CG2-CZ 3.47Å; D61-R92 IonicContact OD1-CZ 3.53Å; D61-R92 IonicContact OD1-NH1 3.12Å; D61-R92 PolarHBondContact OD1-NH1 3.49Å; D61-R92 IonicContact OD1-NH2 2.8Å; D61-R92 PolarHBondContact OD1-NH2 3.01Å; D61-R92 IonicContact OD2-CZ 3.69Å; D61-R92 IonicContact OD2-NH1 2.85Å; D61-R92 PolarHBondContact OD2-NH1 3.03Å; D61-R92 IonicContact OD2-NH2 2.67Å; R92-Q94 PolarHBondContact O-N 3.45Å; R92-Q94 VanDerWaalsContact O-N 3.15Å; R92-G95 PolarHBondContact O-N 3.3Å; R92-G96 WeakPolarHBondContact CA-O 3.49Å; R92-L97 WeakPolarHBondContact CG-O 3.16Å; R92-L97 PolarHBondContact NE-O 2.81Å
93K96.4Very high97.8Very high211 Ų21151.6 Ų51.692%0.91728%0.284SS*.G310 helixtrans-63.9-15.8176.7-68-175.4178-1790114P91P91-K93 PolarHBondContact O-N 3.42Å; P91-K93 VanDerWaalsContact O-N 3.14Å
94Q96.1Very high97.8Very high150 Ų15050.4 Ų50.470%0.70128%0.276SS*.G310 helixtrans-108.816.1177.7-60.9177.68.800111.7T90 P91 R92 G96T90-Q94 HydrophobicContact CG2-CB 4.27Å; P91-Q94 HydrophobicContact CB-CG 4.49Å; P91-Q94 WeakPolarHBondContact O-CA 3.41Å; P91-Q94 PolarHBondContact O-N 3Å; R92-Q94 PolarHBondContact O-N 3.45Å; R92-Q94 VanDerWaalsContact O-N 3.15Å; Q94-G96 VanDerWaalsContact C-N 3.34Å
95G95.4Very high97.8Very high39 Ų3950.4 Ų50.440%0.40228%0.276SS..THydrogen-bonded Turntrans81.111.4-17700000114.5W87 R92W87-G95 PolarHBondContact NE1-O 3.32Å; R92-G95 PolarHBondContact O-N 3.3Å
96G97.6Very high97.8Very high0 Ų047 Ų470%026%0.262CS..  trans-82.1177.6173.200000114.2T90 P91 R92 Q94T90-G96 CarbonylContact O-C 3.55Å; T90-G96 VanDerWaalsContact O-CA 3.31Å; T90-G96 WeakPolarHBondContact O-CA 3.21Å; P91-G96 PolarHBondContact O-N 3.42Å; P91-G96 VanDerWaalsContact O-N 3.08Å; R92-G96 WeakPolarHBondContact CA-O 3.49Å; Q94-G96 VanDerWaalsContact C-N 3.34Å
97L98.1Very high97.8Very high0 Ų045 Ų450%025%0.245CC..  trans-89.4-33.4175.4-61.6-179.3000112.3P53 I56 I57 W87 T88 T90 R92 M100 L104P53-L97 HydrophobicContact CB-CD2 3.92Å; I56-L97 HydrophobicContact CB-CD2 3.97Å; I56-L97 HydrophobicContact CD1-CD1 4.45Å; I56-L97 HydrophobicContact CD1-CD2 4.12Å; I56-L97 HydrophobicContact CG2-CD1 4.05Å; I56-L97 HydrophobicContact CG2-CD2 3.94Å; I57-L97 HydrophobicContact CG1-CD2 4.32Å; W87-L97 HydrophobicContact CD2-CD1 3.85Å; W87-L97 HydrophobicContact CD2-CD2 4.14Å; W87-L97 HydrophobicContact CD2-CG 3.6Å; W87-L97 HydrophobicContact CE3-CD1 3.5Å; W87-L97 VanDerWaalsContact CE3-CD1 3.5Å; W87-L97 HydrophobicContact CE3-CD2 4.11Å; W87-L97 HydrophobicContact CE3-CG 3.73Å; W87-L97 HydrophobicContact CG-CD1 4.29Å; W87-L97 HydrophobicContact CG-CG 3.98Å; W87-L97 HydrophobicContact CH2-CD2 4.04Å; W87-L97 HydrophobicContact CZ2-CD2 4.07Å; W87-L97 HydrophobicContact CZ2-CG 4.44Å; W87-L97 HydrophobicContact CZ3-CD1 4Å; W87-L97 HydrophobicContact CZ3-CD2 4.04Å; W87-L97 HydrophobicContact CZ3-CG 4.18Å; W87-L97 PolarHBondContact O-N 2.87Å; T88-L97 HydrophobicContact CG2-CB 4.47Å; T88-L97 HydrophobicContact CG2-CD1 4.19Å; T90-L97 PolarHBondContact O-N 2.79Å; R92-L97 WeakPolarHBondContact CG-O 3.16Å; R92-L97 PolarHBondContact NE-O 2.81Å; L97-M100 HydrophobicContact CB-CE 3.92Å; L97-M100 HydrophobicContact CB-CG 4.11Å; L97-M100 HydrophobicContact CB-SD 3.84Å; L97-M100 HydrophobicContact CD1-CG 4.33Å; L97-M100 HydrophobicContact CD1-SD 4.24Å; L97-M100 HydrophobicContact CG-SD 4.46Å; L97-M100 WeakPolarHBondContact O-CE 3.39Å; L97-L104 HydrophobicContact CD1-CD1 3.62Å
98G97.5Very high97.8Very high13 Ų1348 Ų4813%0.13426%0.264CS..  trans64.7-160.2-165.500000112.3T88 T90 M100T88-G98 CarbonylContact O-C 3.58Å; T88-G98 WeakPolarHBondContact O-CA 3.37Å; T88-G98 PolarHBondContact O-N 3.28Å; T88-G98 VanDerWaalsContact O-O 3.09Å; T90-G98 PolarHBondContact O-N 2.76Å; T90-G98 VanDerWaalsContact O-N 3.1Å; G98-M100 PolarHBondContact O-N 3.42Å
99A96.2Very high97.8Very high91 Ų9156.8 Ų56.875%0.75230%0.295SS*.SBendtrans-61125.3178.200000111.4
100M97.9Very high97.8Very high15 Ų1557.2 Ų57.27%0.07429%0.288CS..  trans-105.8145.2-178.5-68.7-65.890.200111.5P22 I56 I57 T88 L97 G98 L104P22-M100 WeakPolarHBondContact CA-O 3.06Å; P22-M100 WeakPolarHBondContact CB-O 3.29Å; I56-M100 HydrophobicContact CG2-SD 3.78Å; I57-M100 HydrophobicContact CG1-CE 4.3Å; T88-M100 HydrophobicContact CG2-CB 4.46Å; T88-M100 HydrophobicContact CG2-CG 3.73Å; L97-M100 HydrophobicContact CB-CE 3.92Å; L97-M100 HydrophobicContact CB-CG 4.11Å; L97-M100 HydrophobicContact CB-SD 3.84Å; L97-M100 HydrophobicContact CD1-CG 4.33Å; L97-M100 HydrophobicContact CD1-SD 4.24Å; L97-M100 HydrophobicContact CG-SD 4.46Å; L97-M100 WeakPolarHBondContact O-CE 3.39Å; G98-M100 PolarHBondContact O-N 3.42Å; M100-L104 HydrophobicContact CG-CD1 4.46Å
101K98.6Very high97.8Very high92 Ų9259 Ų5940%0.430%0.299SS..SBendtrans-104.5-0.3175.7-59-176.5-169.6167.90112.9S60 A63 R67S60-K101 WeakPolarHBondContact O-CD 3.33Å; S60-K101 PolarHBondContact OG-N 3.04Å; A63-K101 HydrophobicContact CB-CB 4.02Å; R67-K101 PolarHBondContact NH2-O 3.38Å
102I98.7Very high97.8Very high1 Ų156.2 Ų56.21%0.00528%0.281CS..SBendtrans-124.7147.9-178.859.8175.5000109.7F42 I56 F59 A63 V73 A75F42-I102 HydrophobicContact CE1-CD1 4.05Å; F42-I102 HydrophobicContact CZ-CD1 4.18Å; I56-I102 HydrophobicContact CG2-CD1 4.36Å; F59-I102 HydrophobicContact CB-CD1 4.13Å; A63-I102 HydrophobicContact CB-CG2 3.77Å; V73-I102 HydrophobicContact CB-CG2 3.88Å; V73-I102 HydrophobicContact CG1-CD1 4.35Å; V73-I102 HydrophobicContact CG1-CG2 4.28Å; V73-I102 WeakPolarHBondContact O-CB 3.33Å; A75-I102 HydrophobicContact CB-CD1 4.32Å
103P98.7Very high97.9Very high4 Ų451.5 Ų51.53%0.02626%0.263CS..  trans-68.1145173.128.1-35.5000112.1A19 V20 M21 L29 V73 I74 A75A19-P103 HydrophobicContact CB-CB 4.45Å; V20-P103 WeakPolarHBondContact O-CA 3.24Å; M21-P103 HydrophobicContact CE-CB 4.41Å; M21-P103 HydrophobicContact SD-CB 3.96Å; L29-P103 HydrophobicContact CD1-CB 3.72Å; L29-P103 HydrophobicContact CD1-CG 3.83Å; V73-P103 WeakPolarHBondContact O-CD 3.48Å; I74-P103 HydrophobicContact CB-CG 4.25Å; I74-P103 HydrophobicContact CG1-CG 3.87Å; I74-P103 HydrophobicContact CG2-CG 4.13Å; A75-P103 PolarHBondContact N-O 3.25Å; A75-P103 VanDerWaalsContact N-O 3.08Å
104L98.9Very high98Very high1 Ų144.1 Ų44.11%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-113.1105.5173.4-52.7-179.2000109.3A19 V20 I56 A75 H84 T88 L97 M100A19-L104 CarbonylContact C-O 3.51Å; A19-L104 WeakPolarHBondContact CA-O 3.4Å; A19-L104 WeakPolarHBondContact CB-O 3.2Å; V20-L104 PolarHBondContact N-O 3.23Å; V20-L104 PolarHBondContact O-N 2.78Å; I56-L104 HydrophobicContact CG2-CD2 3.88Å; A75-L104 HydrophobicContact CB-CD2 3.68Å; H84-L104 HydrophobicContact CB-CB 4.21Å; H84-L104 HydrophobicContact CB-CD1 4.11Å; H84-L104 PolarHBondContact CD2-O 2.8Å; T88-L104 HydrophobicContact CG2-CD1 3.72Å; L97-L104 HydrophobicContact CD1-CD1 3.62Å; M100-L104 HydrophobicContact CG-CD1 4.46Å
105V98.9Very high98.1Very high0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-84.5131.6-177.8172.30000110.9F15 A17 A19 L29 I74 A75 A76 S77 H84 I112F15-V105 HydrophobicContact CE2-CG1 4.17Å; F15-V105 HydrophobicContact CE2-CG2 4.18Å; F15-V105 HydrophobicContact CZ-CG2 4.48Å; A17-V105 HydrophobicContact CB-CG1 3.81Å; A19-V105 HydrophobicContact CB-CG2 4Å; L29-V105 HydrophobicContact CD1-CG2 4.25Å; L29-V105 HydrophobicContact CD2-CG2 4.24Å; I74-V105 HydrophobicContact CG2-CG2 3.58Å; A75-V105 PolarHBondContact O-N 3.2Å; A76-V105 VanDerWaalsContact CA-O 3.28Å; A76-V105 WeakPolarHBondContact CA-O 3.2Å; A76-V105 HydrophobicContact CB-CB 4Å; A76-V105 HydrophobicContact CB-CG1 4.36Å; S77-V105 PolarHBondContact N-O 3.36Å; H84-V105 PolarHBondContact NE2-O 2.9Å; V105-I112 HydrophobicContact CG1-CD1 3.94Å
106S98.9Very high98.2Very high8 Ų837.8 Ų37.86%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-98.9108.3-179.3131.40000111.3K18 D79 H81 T108K18-S106 PolarHBondContact O-N 3.24Å; D79-S106 WeakPolarHBondContact O-CA 3.29Å; D79-S106 WeakPolarHBondContact O-CB 3.48Å; D79-S106 PolarHBondContact O-OG 2.94Å; H81-S106 VanDerWaalsContact N-CB 3.26Å; H81-S106 PolarHBondContact N-OG 3.32Å; S106-T108 PolarHBondContact O-N 3.18Å
107D98.8Very high98.3Very high4 Ų438.1 Ų38.12%0.02120%0.201CC..  trans-98.853.3178-176.131.2000112.2S77 V78 R109 R110 T111 I112 S113S77-D107 WeakPolarHBondContact O-CB 3.37Å; S77-D107 PolarHBondContact O-N 3.5Å; V78-D107 WeakPolarHBondContact CA-O 3.35Å; D107-R109 PolarHBondContact O-N 2.93Å; D107-R110 PolarHBondContact O-N 3.44Å; D107-R110 WeakPolarHBondContact OD1-CA 3.47Å; D107-R110 PolarHBondContact OD1-N 3.11Å; D107-R110 VanDerWaalsContact OD2-CA 3.24Å; D107-R110 WeakPolarHBondContact OD2-CA 3.41Å; D107-T111 PolarHBondContact OD1-N 3.2Å; D107-I112 HydrophobicContact CB-CB 4.24Å; D107-I112 HydrophobicContact CB-CD1 4.14Å; D107-I112 HydrophobicContact CB-CG1 4.29Å; D107-I112 WeakPolarHBondContact OD1-CG1 3.12Å; D107-I112 PolarHBondContact OD1-N 2.87Å; D107-I112 PolarHBondContact OD2-N 3.05Å; D107-S113 VanDerWaalsContact OD2-CB 3.29Å; D107-S113 WeakPolarHBondContact OD2-CB 3.49Å; D107-S113 PolarHBondContact OD2-N 3.29Å; D107-S113 PolarHBondContact OD2-OG 3.15Å
108T98.3Very high98.3Very high63 Ų6338.1 Ų38.139%0.38720%0.201SC..THydrogen-bonded Turntrans-60.1-20.4-178.153.90000114.1V78 S106 R110V78-T108 WeakPolarHBondContact O-CA 3.24Å; S106-T108 PolarHBondContact O-N 3.18Å; T108-R110 WeakPolarHBondContact O-CD 3.35Å; T108-R110 PolarHBondContact O-NH1 3.26Å
109R97.6Very high98.3Very high202 Ų20238.5 Ų38.576%0.76220%0.2SC*.THydrogen-bonded Turntrans-89.1-6.2176-63.2-177.267-174.8-0.3113.3D107 T111D107-R109 PolarHBondContact O-N 2.93Å; R109-T111 HydrophobicContact CB-CG2 4Å; R109-T111 PolarHBondContact O-N 3.42Å; R109-T111 VanDerWaalsContact O-N 3.11Å
110R98.1Very high98.4Very high112 Ų11235.2 Ų35.242%0.42317%0.168SC..SBendtrans57.417.8-175.8-60.585174.3176.5-4.3113.5V78 D107 T108 S113 T114 L119V78-R110 HydrophobicContact CB-CG 4.28Å; V78-R110 HydrophobicContact CG1-CG 3.76Å; D107-R110 PolarHBondContact O-N 3.44Å; D107-R110 WeakPolarHBondContact OD1-CA 3.47Å; D107-R110 PolarHBondContact OD1-N 3.11Å; D107-R110 VanDerWaalsContact OD2-CA 3.24Å; D107-R110 WeakPolarHBondContact OD2-CA 3.41Å; T108-R110 WeakPolarHBondContact O-CD 3.35Å; T108-R110 PolarHBondContact O-NH1 3.26Å; R110-S113 WeakPolarHBondContact CA-OG 3.11Å; R110-S113 PolarHBondContact O-OG 2.97Å; R110-T114 WeakPolarHBondContact O-CB 3.32Å; R110-T114 PolarHBondContact O-N 3.4Å; R110-T114 VanDerWaalsContact O-N 3.11Å; R110-T114 PolarHBondContact O-OG1 3.49Å; R110-L119 HydrophobicContact CB-CD1 4.07Å; R110-L119 HydrophobicContact CB-CD2 4.1Å; R110-L119 HydrophobicContact CG-CD1 3.94Å
111T97.9Very high98.3Very high68 Ų6841.2 Ų41.242%0.41720%0.196SC..Hα-helixtrans-74.6-40.4-17846.90000110D107 R109 T114 D115D107-T111 PolarHBondContact OD1-N 3.2Å; R109-T111 HydrophobicContact CB-CG2 4Å; R109-T111 PolarHBondContact O-N 3.42Å; R109-T111 VanDerWaalsContact O-N 3.11Å; T111-T114 PolarHBondContact O-N 2.68Å; T111-D115 WeakPolarHBondContact O-CB 3.5Å; T111-D115 PolarHBondContact O-N 2.91Å
112I98.6Very high98.2Very high7 Ų742.9 Ų42.94%0.03621%0.209CC..Hα-helixtrans-71-46.6-177.6-46176.3000109.9F15 A17 F41 F43 V105 D107 T114 D115 Y116F15-I112 HydrophobicContact CB-CD1 3.86Å; F15-I112 HydrophobicContact CB-CG1 3.88Å; F15-I112 HydrophobicContact CB-CG2 4.13Å; F15-I112 HydrophobicContact CD1-CG2 3.84Å; F15-I112 HydrophobicContact CD2-CD1 3.88Å; F15-I112 HydrophobicContact CE1-CG2 4.47Å; F15-I112 HydrophobicContact CG-CD1 3.88Å; F15-I112 HydrophobicContact CG-CG1 4.33Å; F15-I112 HydrophobicContact CG-CG2 4.06Å; A17-I112 HydrophobicContact CB-CD1 3.77Å; F41-I112 HydrophobicContact CE1-CG2 3.99Å; F41-I112 HydrophobicContact CZ-CG2 3.91Å; F43-I112 HydrophobicContact CE1-CB 4.43Å; F43-I112 HydrophobicContact CE1-CG2 4.16Å; F43-I112 HydrophobicContact CZ-CG2 3.86Å; V105-I112 HydrophobicContact CG1-CD1 3.94Å; D107-I112 HydrophobicContact CB-CB 4.24Å; D107-I112 HydrophobicContact CB-CD1 4.14Å; D107-I112 HydrophobicContact CB-CG1 4.29Å; D107-I112 WeakPolarHBondContact OD1-CG1 3.12Å; D107-I112 PolarHBondContact OD1-N 2.87Å; D107-I112 PolarHBondContact OD2-N 3.05Å; I112-T114 VanDerWaalsContact C-N 3.29Å; I112-T114 PolarHBondContact O-N 2.76Å; I112-D115 PolarHBondContact O-N 2.85Å; I112-Y116 HydrophobicContact CG2-CD2 3.91Å; I112-Y116 HydrophobicContact CG2-CE2 4.03Å; I112-Y116 WeakPolarHBondContact O-CB 3.44Å; I112-Y116 VanDerWaalsContact O-CD2 3.3Å; I112-Y116 WeakPolarHBondContact O-CD2 3.01Å; I112-Y116 PolarHBondContact O-N 2.87Å
113S98.6Very high98.1Very high0 Ų047.9 Ų47.90%023%0.233CC..Hα-helixtrans-62.2-34.4175.848.30000112.7D107 R110 G117 V118 L119D107-S113 VanDerWaalsContact OD2-CB 3.29Å; D107-S113 WeakPolarHBondContact OD2-CB 3.49Å; D107-S113 PolarHBondContact OD2-N 3.29Å; D107-S113 PolarHBondContact OD2-OG 3.15Å; R110-S113 WeakPolarHBondContact CA-OG 3.11Å; R110-S113 PolarHBondContact O-OG 2.97Å; S113-G117 PolarHBondContact O-N 3.09Å; S113-G117 VanDerWaalsContact O-N 3.16Å; S113-V118 WeakPolarHBondContact O-CG2 3.28Å; S113-V118 PolarHBondContact O-N 2.86Å; S113-L119 PolarHBondContact O-N 3.02Å
114T98.3Very high98Very high56 Ų5648.8 Ų48.834%0.34424%0.243SC..Hα-helixtrans-68-48.5171.9-60.30000111.7R110 T111 I112 Y116 G117 L119R110-T114 WeakPolarHBondContact O-CB 3.32Å; R110-T114 PolarHBondContact O-N 3.4Å; R110-T114 VanDerWaalsContact O-N 3.11Å; R110-T114 PolarHBondContact O-OG1 3.49Å; T111-T114 PolarHBondContact O-N 2.68Å; I112-T114 VanDerWaalsContact C-N 3.29Å; I112-T114 PolarHBondContact O-N 2.76Å; T114-Y116 VanDerWaalsContact C-N 3.25Å; T114-Y116 PolarHBondContact O-N 2.81Å; T114-G117 WeakPolarHBondContact O-CA 3.43Å; T114-G117 PolarHBondContact O-N 3.02Å; T114-L119 WeakPolarHBondContact OG1-CD2 3.41Å
115D98.4Very high98Very high50 Ų5049.4 Ų49.427%0.26725%0.246SC..Hα-helixtrans-61.8-34.5179.7-80.6-32000112.4G4 N5 A6 P13 T111 I112 G117G4-D115 CarbonylContact C-O 3.52Å; N5-D115 WeakPolarHBondContact CA-O 3.43Å; N5-D115 PolarHBondContact N-O 2.94Å; N5-D115 PolarHBondContact ND2-OD1 2.94Å; A6-D115 PolarHBondContact N-O 3.24Å; A6-D115 VanDerWaalsContact N-O 3.14Å; P13-D115 HydrophobicContact CB-CB 3.96Å; P13-D115 HydrophobicContact CG-CB 4.5Å; T111-D115 WeakPolarHBondContact O-CB 3.5Å; T111-D115 PolarHBondContact O-N 2.91Å; I112-D115 PolarHBondContact O-N 2.85Å; D115-G117 VanDerWaalsContact C-N 3.3Å
116Y98.6Very high98Very high6 Ų649.4 Ų49.42%0.02425%0.246CC..THydrogen-bonded Turntrans-83.8-3174.2-81.2-99.7000113.6A6 P13 F15 L31 F41 F43 I112 T114 V118 F131A6-Y116 HydrophobicContact CB-CD1 4.2Å; P13-Y116 HydrophobicContact CB-CD2 4.2Å; P13-Y116 HydrophobicContact CB-CE2 3.85Å; P13-Y116 HydrophobicContact CG-CD2 4.33Å; P13-Y116 HydrophobicContact CG-CE2 4.2Å; P13-Y116 WeakPolarHBondContact O-CE2 3.46Å; P13-Y116 PolarHBondContact O-OH 3.08Å; P13-Y116 VanDerWaalsContact O-OH 3.09Å; F15-Y116 HydrophobicContact CD1-CE2 4.37Å; L31-Y116 WeakPolarHBondContact CD2-OH 3.3Å; F41-Y116 HydrophobicContact CD1-CD1 4.23Å; F41-Y116 AromaticContact CD1-CE1 3.65Å; F41-Y116 HydrophobicContact CD1-CE1 3.65Å; F41-Y116 HydrophobicContact CD1-CE2 4.14Å; F41-Y116 AromaticContact CD1-CZ 3.57Å; F41-Y116 HydrophobicContact CE1-CD1 4.33Å; F41-Y116 HydrophobicContact CE1-CD2 4.06Å; F41-Y116 AromaticContact CE1-CE1 4Å; F41-Y116 HydrophobicContact CE1-CE1 4Å; F41-Y116 AromaticContact CE1-CE2 3.71Å; F41-Y116 HydrophobicContact CE1-CE2 3.71Å; F41-Y116 HydrophobicContact CE1-CG 4.34Å; F41-Y116 AromaticContact CE1-CZ 3.64Å; F43-Y116 HydrophobicContact CE2-CD1 4.05Å; F43-Y116 HydrophobicContact CE2-CD2 4.33Å; F43-Y116 AromaticContact CE2-CG 3.78Å; F43-Y116 HydrophobicContact CE2-CG 3.78Å; F43-Y116 HydrophobicContact CZ-CD2 4.02Å; F43-Y116 AromaticContact CZ-CG 3.87Å; F43-Y116 HydrophobicContact CZ-CG 3.87Å; I112-Y116 HydrophobicContact CG2-CD2 3.91Å; I112-Y116 HydrophobicContact CG2-CE2 4.03Å; I112-Y116 WeakPolarHBondContact O-CB 3.44Å; I112-Y116 VanDerWaalsContact O-CD2 3.3Å; I112-Y116 WeakPolarHBondContact O-CD2 3.01Å; I112-Y116 PolarHBondContact O-N 2.87Å; T114-Y116 VanDerWaalsContact C-N 3.25Å; T114-Y116 PolarHBondContact O-N 2.81Å; Y116-V118 VanDerWaalsContact C-N 3.3Å; Y116-V118 PolarHBondContact O-N 2.86Å; Y116-F131 HydrophobicContact CD1-CB 4.5Å; Y116-F131 AromaticContact CD1-CD1 3.69Å; Y116-F131 HydrophobicContact CD1-CD1 3.69Å; Y116-F131 AromaticContact CD1-CD2 3.56Å; Y116-F131 HydrophobicContact CD1-CD2 3.56Å; Y116-F131 AromaticContact CD1-CE1 3.7Å; Y116-F131 HydrophobicContact CD1-CE1 3.7Å; Y116-F131 AromaticContact CD1-CE2 3.58Å; Y116-F131 HydrophobicContact CD1-CE2 3.58Å; Y116-F131 AromaticContact CD1-CG 3.64Å; Y116-F131 HydrophobicContact CD1-CG 3.64Å; Y116-F131 AromaticContact CD1-CZ 3.65Å; Y116-F131 HydrophobicContact CD1-CZ 3.65Å; Y116-F131 HydrophobicContact CE1-CB 4.21Å; Y116-F131 HydrophobicContact CE1-CD1 4.08Å; Y116-F131 HydrophobicContact CE1-CD2 4.03Å; Y116-F131 HydrophobicContact CE1-CE2 4.48Å; Y116-F131 AromaticContact CE1-CG 3.83Å; Y116-F131 HydrophobicContact CE1-CG 3.83Å; Y116-F131 HydrophobicContact CG-CE2 4.21Å; Y116-F131 HydrophobicContact CG-CZ 4.26Å; Y116-F131 WeakPolarHBondContact O-CZ 3.31Å
117G98.1Very high97.9Very high8 Ų851.7 Ų51.78%0.08225%0.254CS..THydrogen-bonded Turntrans71.520.7175.300000114.5S113 T114 D115S113-G117 PolarHBondContact O-N 3.09Å; S113-G117 VanDerWaalsContact O-N 3.16Å; T114-G117 WeakPolarHBondContact O-CA 3.43Å; T114-G117 PolarHBondContact O-N 3.02Å; D115-G117 VanDerWaalsContact C-N 3.3Å
118V98.4Very high97.9Very high0 Ų052 Ų520%026%0.255CS..  trans-108-4.2-174-64.40000113.4F43 S113 Y116 K120 A126 Y127 F131 I144F43-V118 HydrophobicContact CB-CG2 4.3Å; F43-V118 HydrophobicContact CD1-CG2 3.98Å; F43-V118 HydrophobicContact CD2-CG2 3.83Å; F43-V118 HydrophobicContact CE1-CG2 4.18Å; F43-V118 HydrophobicContact CE2-CG2 4.03Å; F43-V118 HydrophobicContact CG-CG2 3.77Å; F43-V118 HydrophobicContact CZ-CG2 4.18Å; S113-V118 WeakPolarHBondContact O-CG2 3.28Å; S113-V118 PolarHBondContact O-N 2.86Å; Y116-V118 VanDerWaalsContact C-N 3.3Å; Y116-V118 PolarHBondContact O-N 2.86Å; V118-K120 PolarHBondContact O-N 2.72Å; V118-A126 HydrophobicContact CG2-CB 4.23Å; V118-A126 CarbonylContact O-C 3.57Å; V118-A126 WeakPolarHBondContact O-CA 3.44Å; V118-Y127 PolarHBondContact O-N 3.06Å; V118-F131 HydrophobicContact CG1-CE2 3.88Å; V118-F131 HydrophobicContact CG1-CZ 3.64Å; V118-I144 HydrophobicContact CG1-CD1 4.15Å; V118-I144 HydrophobicContact CG1-CG1 4.41Å
119L98.4Very high97.9Very high21 Ų2149 Ų4911%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-64.6125.8174.9-173.868.4000110.8R110 S113 T114 E121R110-L119 HydrophobicContact CB-CD1 4.07Å; R110-L119 HydrophobicContact CB-CD2 4.1Å; R110-L119 HydrophobicContact CG-CD1 3.94Å; S113-L119 PolarHBondContact O-N 3.02Å; T114-L119 WeakPolarHBondContact OG1-CD2 3.41Å; L119-E121 PolarHBondContact O-N 3.27Å
120K97.5Very high98Very high21 Ų2139.5 Ų39.59%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-86.292.5166.6-177170.9-166.2-62.20107.9V118 D122 E123 G124 I125 Y127 L147V118-K120 PolarHBondContact O-N 2.72Å; K120-D122 VanDerWaalsContact C-N 3.29Å; K120-D122 WeakPolarHBondContact CG-OD1 3.45Å; K120-D122 IonicContact NZ-OD1 2.77Å; K120-D122 PolarHBondContact NZ-OD1 2.9Å; K120-D122 IonicContact NZ-OD2 3.14Å; K120-D122 PolarHBondContact NZ-OD2 2.75Å; K120-D122 PolarHBondContact O-N 2.81Å; K120-E123 HydrophobicContact CD-CB 4.32Å; K120-E123 HydrophobicContact CD-CG 4.38Å; K120-E123 VanDerWaalsContact CE-OE1 3.23Å; K120-E123 WeakPolarHBondContact CE-OE1 3.36Å; K120-E123 HydrophobicContact CG-CB 4.3Å; K120-E123 IonicContact NZ-OE1 3.7Å; K120-E123 PolarHBondContact NZ-OE1 3.47Å; K120-E123 PolarHBondContact O-N 2.99Å; K120-E123 VanDerWaalsContact O-N 3.1Å; K120-G124 PolarHBondContact O-N 2.83Å; K120-I125 HydrophobicContact CB-CG1 4.26Å; K120-I125 WeakPolarHBondContact CB-O 3.34Å; K120-I125 PolarHBondContact N-O 2.82Å; K120-Y127 HydrophobicContact CB-CD2 3.96Å; K120-Y127 HydrophobicContact CB-CE2 3.63Å; K120-Y127 HydrophobicContact CD-CE1 4.09Å; K120-Y127 HydrophobicContact CD-CE2 4.2Å; K120-Y127 WeakPolarHBondContact CE-OH 3.19Å; K120-Y127 HydrophobicContact CG-CE2 3.9Å; K120-L147 HydrophobicContact CD-CD1 4.26Å
121E95.3Very high98Very high142 Ų14234.1 Ų34.166%0.66418%0.18SC*.THydrogen-bonded Turntrans-57.6-35.4-166.7-66.3-179.5156.200114.5L119 E123L119-E121 PolarHBondContact O-N 3.27Å; E121-E123 VanDerWaalsContact C-N 3.31Å; E121-E123 PolarHBondContact O-N 2.76Å
122D96.6Very high98.1Very high126 Ų12630.9 Ų30.967%0.67416%0.16SC*.THydrogen-bonded Turntrans-73.7-19.6-179.360.7-33000113.7K120K120-D122 VanDerWaalsContact C-N 3.29Å; K120-D122 WeakPolarHBondContact CG-OD1 3.45Å; K120-D122 IonicContact NZ-OD1 2.77Å; K120-D122 PolarHBondContact NZ-OD1 2.9Å; K120-D122 IonicContact NZ-OD2 3.14Å; K120-D122 PolarHBondContact NZ-OD2 2.75Å; K120-D122 PolarHBondContact O-N 2.81Å
123E96.8Very high98.1Very high107 Ų10730.6 Ų30.650%0.516%0.159SC..THydrogen-bonded Turntrans-114.2-13.7177.6-73.1-174.8-128.900113.6K120 E121 I125K120-E123 HydrophobicContact CD-CB 4.32Å; K120-E123 HydrophobicContact CD-CG 4.38Å; K120-E123 VanDerWaalsContact CE-OE1 3.23Å; K120-E123 WeakPolarHBondContact CE-OE1 3.36Å; K120-E123 HydrophobicContact CG-CB 4.3Å; K120-E123 IonicContact NZ-OE1 3.7Å; K120-E123 PolarHBondContact NZ-OE1 3.47Å; K120-E123 PolarHBondContact O-N 2.99Å; K120-E123 VanDerWaalsContact O-N 3.1Å; E121-E123 VanDerWaalsContact C-N 3.31Å; E121-E123 PolarHBondContact O-N 2.76Å; E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 HydrophobicContact CB-CD1 3.97Å; E123-I125 HydrophobicContact CB-CG1 3.88Å; E123-I125 PolarHBondContact O-N 3.03Å; E123-I125 WeakPolarHBondContact OE2-CD1 3.28Å
124G97.4Very high98.1Very high23 Ų2330.9 Ų30.924%0.23716%0.16CC..THydrogen-bonded Turntrans69.922179.500000114.5K120K120-G124 PolarHBondContact O-N 2.83Å
125I98.4Very high98.1Very high14 Ų1431 Ų317%0.07216%0.159CC..EExtended strand (participates in β ladder)trans-120.8162.8-17966.2-174.8000110.8P45 L46 V78 K120 E123 L147P45-I125 HydrophobicContact CB-CB 4.49Å; P45-I125 HydrophobicContact CB-CD1 4.12Å; L46-I125 HydrophobicContact CD1-CG2 3.92Å; L46-I125 HydrophobicContact CD2-CG2 3.76Å; L46-I125 HydrophobicContact CG-CB 4.5Å; L46-I125 HydrophobicContact CG-CG2 3.69Å; V78-I125 HydrophobicContact CG2-CG2 4.38Å; K120-I125 HydrophobicContact CB-CG1 4.26Å; K120-I125 WeakPolarHBondContact CB-O 3.34Å; K120-I125 PolarHBondContact N-O 2.82Å; E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 HydrophobicContact CB-CD1 3.97Å; E123-I125 HydrophobicContact CB-CG1 3.88Å; E123-I125 PolarHBondContact O-N 3.03Å; E123-I125 WeakPolarHBondContact OE2-CD1 3.28Å; I125-L147 HydrophobicContact CD1-CD1 4.31Å
126A98.2Very high98.1Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-86.3142.5175.200000112.1F43 P45 V118F43-A126 HydrophobicContact CB-CB 3.87Å; F43-A126 HydrophobicContact CD1-CB 4.15Å; F43-A126 HydrophobicContact CG-CB 4.36Å; P45-A126 VanDerWaalsContact CA-O 3.24Å; P45-A126 WeakPolarHBondContact CA-O 3.37Å; P45-A126 WeakPolarHBondContact CG-O 3.45Å; V118-A126 HydrophobicContact CG2-CB 4.23Å; V118-A126 CarbonylContact O-C 3.57Å; V118-A126 WeakPolarHBondContact O-CA 3.44Å
127Y98.3Very high98.1Very high56 Ų5634.8 Ų34.822%0.2217%0.173CC..  trans-62.8168.9157.8-77.9-72.9000110.8V118 K120 G129 D146 L147V118-Y127 PolarHBondContact O-N 3.06Å; K120-Y127 HydrophobicContact CB-CD2 3.96Å; K120-Y127 HydrophobicContact CB-CE2 3.63Å; K120-Y127 HydrophobicContact CD-CE1 4.09Å; K120-Y127 HydrophobicContact CD-CE2 4.2Å; K120-Y127 WeakPolarHBondContact CE-OH 3.19Å; K120-Y127 HydrophobicContact CG-CE2 3.9Å; Y127-G129 PolarHBondContact O-N 3.21Å; Y127-D146 WeakPolarHBondContact CE1-OD1 3.41Å; Y127-L147 HydrophobicContact CD1-CD2 4.01Å; Y127-L147 HydrophobicContact CD1-CG 4.37Å; Y127-L147 HydrophobicContact CE1-CD2 4.46Å; Y127-L147 HydrophobicContact CE1-CG 4.4Å
128R98.5Very high98.2Very high11 Ų1136.4 Ų36.44%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-78.163.8177-64.2-174.8-169.5-62.2-19.8111.3P45 E55 N145 L147 V149 R151P45-R128 HydrophobicContact CG-CG 4.43Å; E55-R128 IonicContact OE2-CZ 3.83Å; E55-R128 IonicContact OE2-NE 2.72Å; E55-R128 IonicContact OE2-NH1 3.35Å; E55-R128 PolarHBondContact OE2-NH1 3.08Å; R128-N145 HydrophobicContact CB-CB 3.92Å; R128-N145 PolarHBondContact N-O 3.18Å; R128-N145 PolarHBondContact O-N 2.92Å; R128-N145 VanDerWaalsContact O-N 3.11Å; R128-L147 VanDerWaalsContact CZ-O 3.23Å; R128-L147 PolarHBondContact NE-O 2.94Å; R128-L147 PolarHBondContact NH2-O 3.27Å; R128-V149 VanDerWaalsContact CD-O 3.3Å; R128-V149 WeakPolarHBondContact CD-O 3.29Å; R128-R151 VanDerWaalsContact C-NH1 3.34Å; R128-R151 PolarHBondContact O-NH1 3.12Å
129G98.6Very high98.2Very high0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-80.3135.9176.600000112.3F42 F43 Y127 T143 R151F42-G129 CarbonylContact C-O 3.59Å; F42-G129 WeakPolarHBondContact CA-O 3.5Å; F43-G129 PolarHBondContact N-O 3.3Å; Y127-G129 PolarHBondContact O-N 3.21Å; G129-T143 CarbonylContact C-O 3.03Å; G129-T143 WeakPolarHBondContact CA-O 3.38Å; G129-R151 PolarHBondContact O-NH1 3.13Å
130L98.9Very high98.2Very high1 Ų137.8 Ų37.81%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-132.5137.5174.6179.3153.2000108.8V40 F42 F59 I132 I142 T143 T156V40-L130 HydrophobicContact CG1-CD1 4Å; V40-L130 HydrophobicContact CG1-CD2 4.37Å; V40-L130 HydrophobicContact CG1-CG 4.09Å; F42-L130 HydrophobicContact CB-CB 3.97Å; F42-L130 HydrophobicContact CB-CD1 4.04Å; F42-L130 HydrophobicContact CB-CG 3.96Å; F59-L130 HydrophobicContact CE1-CD1 4.48Å; F59-L130 HydrophobicContact CE2-CD1 4.21Å; F59-L130 HydrophobicContact CZ-CD1 3.65Å; L130-I132 HydrophobicContact CD2-CG1 4.06Å; L130-I142 WeakPolarHBondContact O-CA 3.21Å; L130-T143 PolarHBondContact N-O 3.33Å; L130-T143 PolarHBondContact O-N 3.33Å; L130-T156 HydrophobicContact CD1-CG2 4.01Å; L130-T156 HydrophobicContact CD2-CG2 4.1Å
131F98.9Very high98.3Very high0 Ų038 Ų380%019%0.185CC..EExtended strand (participates in β ladder)trans-131.2128.8-173.4-59.4-90.2000109.2A6 V40 F41 F43 Y116 V118 L139 Q141 I142A6-F131 HydrophobicContact CB-CE1 4.17Å; V40-F131 WeakPolarHBondContact CA-O 3.48Å; F41-F131 PolarHBondContact N-O 3.43Å; F41-F131 PolarHBondContact O-N 2.82Å; F43-F131 HydrophobicContact CD2-CD2 4.11Å; F43-F131 AromaticContact CD2-CE2 3.73Å; F43-F131 HydrophobicContact CD2-CE2 3.73Å; F43-F131 AromaticContact CE2-CD2 3.96Å; F43-F131 HydrophobicContact CE2-CD2 3.96Å; F43-F131 AromaticContact CE2-CE2 3.66Å; F43-F131 HydrophobicContact CE2-CE2 3.66Å; Y116-F131 HydrophobicContact CD1-CB 4.5Å; Y116-F131 AromaticContact CD1-CD1 3.69Å; Y116-F131 HydrophobicContact CD1-CD1 3.69Å; Y116-F131 AromaticContact CD1-CD2 3.56Å; Y116-F131 HydrophobicContact CD1-CD2 3.56Å; Y116-F131 AromaticContact CD1-CE1 3.7Å; Y116-F131 HydrophobicContact CD1-CE1 3.7Å; Y116-F131 AromaticContact CD1-CE2 3.58Å; Y116-F131 HydrophobicContact CD1-CE2 3.58Å; Y116-F131 AromaticContact CD1-CG 3.64Å; Y116-F131 HydrophobicContact CD1-CG 3.64Å; Y116-F131 AromaticContact CD1-CZ 3.65Å; Y116-F131 HydrophobicContact CD1-CZ 3.65Å; Y116-F131 HydrophobicContact CE1-CB 4.21Å; Y116-F131 HydrophobicContact CE1-CD1 4.08Å; Y116-F131 HydrophobicContact CE1-CD2 4.03Å; Y116-F131 HydrophobicContact CE1-CE2 4.48Å; Y116-F131 AromaticContact CE1-CG 3.83Å; Y116-F131 HydrophobicContact CE1-CG 3.83Å; Y116-F131 HydrophobicContact CG-CE2 4.21Å; Y116-F131 HydrophobicContact CG-CZ 4.26Å; Y116-F131 WeakPolarHBondContact O-CZ 3.31Å; V118-F131 HydrophobicContact CG1-CE2 3.88Å; V118-F131 HydrophobicContact CG1-CZ 3.64Å; F131-L139 HydrophobicContact CB-CD1 3.78Å; F131-L139 HydrophobicContact CD1-CD1 3.83Å; F131-L139 HydrophobicContact CD1-CD2 4.17Å; F131-L139 HydrophobicContact CG-CD1 4.3Å; F131-Q141 WeakPolarHBondContact CA-O 3.4Å; F131-I142 HydrophobicContact CD1-CB 4.41Å; F131-I142 HydrophobicContact CD1-CD1 4.43Å; F131-I142 HydrophobicContact CD1-CG1 3.83Å; F131-I142 HydrophobicContact CD1-CG2 4.21Å; F131-I142 HydrophobicContact CE1-CB 4.33Å; F131-I142 HydrophobicContact CE1-CD1 4.14Å; F131-I142 HydrophobicContact CE1-CG1 3.91Å; F131-I142 HydrophobicContact CE1-CG2 3.71Å; F131-I142 HydrophobicContact CZ-CG2 4.3Å
132I98.9Very high98.4Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-102.9121.4170.6-57173000108Y38 V40 L130 R140 Q141 T156 L159 V160 F163Y38-I132 HydrophobicContact CD1-CG2 3.99Å; Y38-I132 HydrophobicContact CE1-CG2 4.24Å; V40-I132 HydrophobicContact CG2-CG1 4.46Å; L130-I132 HydrophobicContact CD2-CG1 4.06Å; I132-R140 PolarHBondContact O-N 3.07Å; I132-Q141 HydrophobicContact CB-CB 3.92Å; I132-Q141 HydrophobicContact CD1-CB 4.03Å; I132-Q141 HydrophobicContact CD1-CG 4.27Å; I132-Q141 HydrophobicContact CG1-CB 4.15Å; I132-Q141 PolarHBondContact N-O 3.39Å; I132-Q141 VanDerWaalsContact N-O 3.1Å; I132-Q141 PolarHBondContact O-N 3.12Å; I132-T156 HydrophobicContact CD1-CG2 4.48Å; I132-L159 HydrophobicContact CD1-CB 3.5Å; I132-L159 HydrophobicContact CD1-CD1 4.27Å; I132-V160 HydrophobicContact CD1-CG2 4.08Å; I132-V160 HydrophobicContact CG1-CG2 4.37Å; I132-V160 HydrophobicContact CG2-CG2 3.97Å; I132-F163 HydrophobicContact CG2-CD2 4.47Å
133I98.9Very high98.5Very high1 Ų130.1 Ų30.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-118130.6-175.8-55.9164.6000107.1A12 L31 Y38 V39 F41 I138 L139A12-I133 HydrophobicContact CB-CD1 3.67Å; A12-I133 HydrophobicContact CB-CG1 3.86Å; A12-I133 HydrophobicContact CB-CG2 3.99Å; L31-I133 HydrophobicContact CD1-CD1 4.06Å; L31-I133 HydrophobicContact CD2-CD1 4.06Å; Y38-I133 CarbonylContact C-O 3.59Å; Y38-I133 WeakPolarHBondContact CA-O 3.46Å; V39-I133 HydrophobicContact CB-CB 4.29Å; V39-I133 PolarHBondContact N-O 3.29Å; V39-I133 PolarHBondContact O-N 3.17Å; F41-I133 HydrophobicContact CB-CD1 4.22Å; I133-I138 WeakPolarHBondContact CA-O 3.37Å; I133-L139 HydrophobicContact CG1-CD1 4.04Å
134D98.9Very high98.6Very high6 Ų628 Ų283%0.03214%0.14CC..  trans-78.8177.4-17971.616.5000113.3Y38 K136 G137 I138 R140Y38-D134 HydrophobicContact CD1-CB 4.47Å; Y38-D134 HydrophobicContact CD2-CB 4.36Å; Y38-D134 HydrophobicContact CE1-CB 3.87Å; Y38-D134 HydrophobicContact CE2-CB 3.73Å; Y38-D134 VanDerWaalsContact CZ-CB 3.46Å; D134-K136 PolarHBondContact O-N 3.27Å; D134-K136 VanDerWaalsContact O-N 3.17Å; D134-K136 WeakPolarHBondContact OD1-CA 3.44Å; D134-K136 WeakPolarHBondContact OD1-CB 3.14Å; D134-K136 PolarHBondContact OD1-N 2.84Å; D134-G137 WeakPolarHBondContact O-CA 3.34Å; D134-G137 PolarHBondContact O-N 3.07Å; D134-G137 PolarHBondContact OD1-N 3.33Å; D134-I138 PolarHBondContact N-O 2.83Å; D134-I138 WeakPolarHBondContact OD1-CB 3.43Å; D134-I138 PolarHBondContact OD1-N 3.08Å; D134-I138 WeakPolarHBondContact OD2-CB 3.27Å; D134-R140 HydrophobicContact CB-CG 3.85Å; D134-R140 WeakPolarHBondContact OD2-CD 3.34Å; D134-R140 IonicContact OD2-CZ 3.86Å; D134-R140 IonicContact OD2-NE 3.91Å; D134-R140 IonicContact OD2-NH1 2.77Å; D134-R140 PolarHBondContact OD2-NH1 3.16Å
135D98.5Very high98.6Very high58 Ų5828.7 Ų28.731%0.3114%0.137SC..THydrogen-bonded Turntrans-60.6-21.1179.166.5-42.3000114G36 K37 Y38 G137G36-D135 PolarHBondContact N-O 2.62Å; K37-D135 WeakPolarHBondContact O-CA 3.4Å; Y38-D135 HydrophobicContact CD2-CB 4.33Å; D135-G137 VanDerWaalsContact C-N 3.35Å
136K98.6Very high98.6Very high136 Ų13632.6 Ų32.659%0.59116%0.158SC*.THydrogen-bonded Turntrans-90.9-3.6175.2-60.1167.5-168.1165.90112.1R35 D134 I138R35-K136 WeakPolarHBondContact CD-O 3.34Å; R35-K136 PolarHBondContact NE-O 3.29Å; D134-K136 PolarHBondContact O-N 3.27Å; D134-K136 VanDerWaalsContact O-N 3.17Å; D134-K136 WeakPolarHBondContact OD1-CA 3.44Å; D134-K136 WeakPolarHBondContact OD1-CB 3.14Å; D134-K136 PolarHBondContact OD1-N 2.84Å; K136-I138 HydrophobicContact CB-CG1 4.17Å
137G98.5Very high98.4Very high0 Ų034.5 Ų34.50%017%0.168CC..SBendtrans82.114.3-176.300000114.6L11 A12 D134 D135L11-G137 WeakPolarHBondContact CA-O 3.41Å; A12-G137 PolarHBondContact N-O 2.88Å; D134-G137 WeakPolarHBondContact O-CA 3.34Å; D134-G137 PolarHBondContact O-N 3.07Å; D134-G137 PolarHBondContact OD1-N 3.33Å; D135-G137 VanDerWaalsContact C-N 3.35Å
138I98.8Very high98.3Very high42 Ų4236.3 Ų36.322%0.21519%0.187CC..BIsolated β-bridgetrans-84.1131.6178.4-55.7-64.7000108.7K10 L11 I133 D134 K136 R140K10-I138 CarbonylContact O-C 3.58Å; K10-I138 WeakPolarHBondContact O-CA 3.21Å; L11-I138 HydrophobicContact CD2-CD1 3.84Å; L11-I138 HydrophobicContact CG-CD1 4.1Å; I133-I138 WeakPolarHBondContact CA-O 3.37Å; D134-I138 PolarHBondContact N-O 2.83Å; D134-I138 WeakPolarHBondContact OD1-CB 3.43Å; D134-I138 PolarHBondContact OD1-N 3.08Å; D134-I138 WeakPolarHBondContact OD2-CB 3.27Å; K136-I138 HydrophobicContact CB-CG1 4.17Å; I138-R140 WeakPolarHBondContact O-CG 3.28Å; I138-R140 PolarHBondContact O-N 3.15Å
139L98.9Very high98.2Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-71.5122.8175.4-179.362.4000110A6 I8 G9 K10 A12 F131 I133 Q141 I142A6-L139 HydrophobicContact CB-CD2 3.8Å; I8-L139 CarbonylContact C-O 3.58Å; I8-L139 WeakPolarHBondContact CA-O 3.16Å; G9-L139 PolarHBondContact N-O 3.46Å; K10-L139 PolarHBondContact O-N 3.41Å; A12-L139 HydrophobicContact CB-CB 4.35Å; F131-L139 HydrophobicContact CB-CD1 3.78Å; F131-L139 HydrophobicContact CD1-CD1 3.83Å; F131-L139 HydrophobicContact CD1-CD2 4.17Å; F131-L139 HydrophobicContact CG-CD1 4.3Å; I133-L139 HydrophobicContact CG1-CD1 4.04Å; L139-Q141 WeakPolarHBondContact CD1-O 3.12Å; L139-I142 HydrophobicContact CD1-CG1 4.44Å; L139-I142 HydrophobicContact CD2-CD1 3.8Å; L139-I142 HydrophobicContact CD2-CG1 3.92Å; L139-I142 HydrophobicContact CG-CG1 4.33Å
140R98.8Very high98.1Very high49 Ų4941.5 Ų41.519%0.18523%0.227CC..EExtended strand (participates in β ladder)trans-107-30.3-175.2-53.1-56.4-73.2-86.1-8.4113.2I132 D134 I138 F163 D167I132-R140 PolarHBondContact O-N 3.07Å; D134-R140 HydrophobicContact CB-CG 3.85Å; D134-R140 WeakPolarHBondContact OD2-CD 3.34Å; D134-R140 IonicContact OD2-CZ 3.86Å; D134-R140 IonicContact OD2-NE 3.91Å; D134-R140 IonicContact OD2-NH1 2.77Å; D134-R140 PolarHBondContact OD2-NH1 3.16Å; I138-R140 WeakPolarHBondContact O-CG 3.28Å; I138-R140 PolarHBondContact O-N 3.15Å; R140-F163 HydrophobicContact CB-CD1 4Å; R140-F163 HydrophobicContact CB-CD2 4.1Å; R140-F163 HydrophobicContact CB-CE1 3.85Å; R140-F163 HydrophobicContact CB-CE2 3.99Å; R140-F163 HydrophobicContact CB-CG 4.13Å; R140-F163 HydrophobicContact CB-CZ 3.85Å; R140-F163 HydrophobicContact CG-CD1 4.47Å; R140-F163 WeakPolarHBondContact O-CZ 3.16Å; R140-D167 IonicContact CZ-OD1 3.94Å; R140-D167 IonicContact CZ-OD2 3.71Å; R140-D167 IonicContact NH1-OD1 2.97Å; R140-D167 PolarHBondContact NH1-OD1 3Å; R140-D167 IonicContact NH1-OD2 2.99Å; R140-D167 PolarHBondContact NH1-OD2 3.33Å; R140-D167 IonicContact NH2-OD1 2.71Å; R140-D167 PolarHBondContact NH2-OD1 3.38Å
141Q98.8Very high98.1Very high27 Ų2743 Ų4313%0.12623%0.232CC..EExtended strand (participates in β ladder)trans-150.7146-172.3-163.8-82-32.500111.5F131 I132 L139 T143 L159 F163F131-Q141 WeakPolarHBondContact CA-O 3.4Å; I132-Q141 HydrophobicContact CB-CB 3.92Å; I132-Q141 HydrophobicContact CD1-CB 4.03Å; I132-Q141 HydrophobicContact CD1-CG 4.27Å; I132-Q141 HydrophobicContact CG1-CB 4.15Å; I132-Q141 PolarHBondContact N-O 3.39Å; I132-Q141 VanDerWaalsContact N-O 3.1Å; I132-Q141 PolarHBondContact O-N 3.12Å; L139-Q141 WeakPolarHBondContact CD1-O 3.12Å; Q141-T143 PolarHBondContact NE2-OG1 3.32Å; Q141-T143 PolarHBondContact OE1-OG1 3.46Å; Q141-L159 HydrophobicContact CG-CD1 4.18Å; Q141-F163 HydrophobicContact CB-CE2 3.73Å; Q141-F163 HydrophobicContact CB-CZ 4.13Å; Q141-F163 HydrophobicContact CG-CE2 4.21Å
142I98.8Very high98.1Very high57 Ų5745.7 Ų45.729%0.29225%0.251SS..EExtended strand (participates in β ladder)trans-133.4124.2176.2-55.3178.7000108.5I8 L130 F131 L139 I144I8-I142 HydrophobicContact CD1-CG1 4.32Å; I8-I142 HydrophobicContact CG1-CD1 4.05Å; I8-I142 HydrophobicContact CG1-CG1 4.07Å; L130-I142 WeakPolarHBondContact O-CA 3.21Å; F131-I142 HydrophobicContact CD1-CB 4.41Å; F131-I142 HydrophobicContact CD1-CD1 4.43Å; F131-I142 HydrophobicContact CD1-CG1 3.83Å; F131-I142 HydrophobicContact CD1-CG2 4.21Å; F131-I142 HydrophobicContact CE1-CB 4.33Å; F131-I142 HydrophobicContact CE1-CD1 4.14Å; F131-I142 HydrophobicContact CE1-CG1 3.91Å; F131-I142 HydrophobicContact CE1-CG2 3.71Å; F131-I142 HydrophobicContact CZ-CG2 4.3Å; L139-I142 HydrophobicContact CD1-CG1 4.44Å; L139-I142 HydrophobicContact CD2-CD1 3.8Å; L139-I142 HydrophobicContact CD2-CG1 3.92Å; L139-I142 HydrophobicContact CG-CG1 4.33Å; I142-I144 HydrophobicContact CG2-CD1 4.02Å; I142-I144 HydrophobicContact CG2-CG1 3.84Å
143T98.6Very high98Very high44 Ų4447 Ų4727%0.2726%0.259SS..EExtended strand (participates in β ladder)trans-117.9127.8166.6-60.90000108.3G129 L130 Q141G129-T143 CarbonylContact C-O 3.03Å; G129-T143 WeakPolarHBondContact CA-O 3.38Å; L130-T143 PolarHBondContact N-O 3.33Å; L130-T143 PolarHBondContact O-N 3.33Å; Q141-T143 PolarHBondContact NE2-OG1 3.32Å; Q141-T143 PolarHBondContact OE1-OG1 3.46Å
144I98.2Very high98Very high64 Ų6454.7 Ų54.733%0.32830%0.295SS..EExtended strand (participates in β ladder)trans-127.7112.8173.4-55.2175.9000107.9M1 V118 I142M1-I144 HydrophobicContact SD-CD1 3.95Å; V118-I144 HydrophobicContact CG1-CD1 4.15Å; V118-I144 HydrophobicContact CG1-CG1 4.41Å; I142-I144 HydrophobicContact CG2-CD1 4.02Å; I142-I144 HydrophobicContact CG2-CG1 3.84Å
145N98.1Very high98Very high36 Ų3658.1 Ų58.119%0.19331%0.311CS..EExtended strand (participates in β ladder)trans-94.3149.7170.2-70.419.5000110.1R128 V149 G150R128-N145 HydrophobicContact CB-CB 3.92Å; R128-N145 PolarHBondContact N-O 3.18Å; R128-N145 PolarHBondContact O-N 2.92Å; R128-N145 VanDerWaalsContact O-N 3.11Å; N145-V149 WeakPolarHBondContact CB-O 3.43Å; N145-V149 PolarHBondContact ND2-O 3.23Å; N145-G150 PolarHBondContact ND2-O 2.64Å
146D97.3Very high98Very high96 Ų9655.7 Ų55.751%0.51330%0.298SS..  trans-66.3163.6162.6-16717.3000110.6Y127 V149Y127-D146 WeakPolarHBondContact CE1-OD1 3.41Å; D146-V149 PolarHBondContact O-N 3.1Å
147L95.5Very high98Very high40 Ų4050.8 Ų50.821%0.20928%0.279CS..THydrogen-bonded Turntrans-54.9-38.2-172.4-53.5-178.4000115.6P45 K120 I125 Y127 R128 V149P45-L147 HydrophobicContact CB-CD2 4.26Å; P45-L147 HydrophobicContact CG-CD2 3.62Å; K120-L147 HydrophobicContact CD-CD1 4.26Å; I125-L147 HydrophobicContact CD1-CD1 4.31Å; Y127-L147 HydrophobicContact CD1-CD2 4.01Å; Y127-L147 HydrophobicContact CD1-CG 4.37Å; Y127-L147 HydrophobicContact CE1-CD2 4.46Å; Y127-L147 HydrophobicContact CE1-CG 4.4Å; R128-L147 VanDerWaalsContact CZ-O 3.23Å; R128-L147 PolarHBondContact NE-O 2.94Å; R128-L147 PolarHBondContact NH2-O 3.27Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-V149 PolarHBondContact O-N 3.04Å
148P95.7Very high98Very high94 Ų9452.7 Ų52.761%0.6129%0.286SS*.THydrogen-bonded Turntrans-80.3-9.3-173.229-32.5000114.8
149V96.8Very high98Very high86 Ų8652 Ų5252%0.52128%0.282SS..  trans-117.4115.1-171.8-175.40000111.7R128 N145 D146 L147R128-V149 VanDerWaalsContact CD-O 3.3Å; R128-V149 WeakPolarHBondContact CD-O 3.29Å; N145-V149 WeakPolarHBondContact CB-O 3.43Å; N145-V149 PolarHBondContact ND2-O 3.23Å; D146-V149 PolarHBondContact O-N 3.1Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-V149 PolarHBondContact O-N 3.04Å
150G95.7Very high98Very high35 Ų3552 Ų5236%0.36128%0.282SS..PPolyproline II helixtrans-68.6159.517500000113.9E55 N145E55-G150 WeakPolarHBondContact OE1-CA 3.25Å; N145-G150 PolarHBondContact ND2-O 2.64Å
151R98.4Very high98.1Very high31 Ų3152 Ų5212%0.11728%0.284CS..PPolyproline II helixtrans-90.5166.7178.1-69.3160.3-71.2-161.9-5.8112.3F43 E55 R128 G129F43-R151 VanDerWaalsContact O-CZ 3.26Å; F43-R151 PolarHBondContact O-NH1 2.92Å; F43-R151 PolarHBondContact O-NH2 2.98Å; E55-R151 VanDerWaalsContact CD-NH2 3.29Å; E55-R151 WeakPolarHBondContact OE1-CB 3.07Å; E55-R151 IonicContact OE1-CZ 2.73Å; E55-R151 PolarHBondContact OE1-N 3.32Å; E55-R151 IonicContact OE1-NE 2.76Å; E55-R151 PolarHBondContact OE1-NE 3.43Å; E55-R151 IonicContact OE1-NH2 2.76Å; E55-R151 PolarHBondContact OE1-NH2 3.23Å; E55-R151 IonicContact OE2-CZ 2.65Å; E55-R151 IonicContact OE2-NE 2.7Å; E55-R151 IonicContact OE2-NH2 3.83Å; E55-R151 PolarHBondContact OE2-NH2 3.44Å; R128-R151 VanDerWaalsContact C-NH1 3.34Å; R128-R151 PolarHBondContact O-NH1 3.12Å; G129-R151 PolarHBondContact O-NH1 3.13Å
152S98.6Very high98.1Very high57 Ų5751.2 Ų51.240%0.39928%0.282SS..PPolyproline II helixtrans-102.6122.2176.61740000111.8E154 E155 T156S152-E154 PolarHBondContact OG-N 3.22Å; S152-E155 PolarHBondContact OG-N 3.44Å; S152-T156 PolarHBondContact O-N 3.06Å; S152-T156 PolarHBondContact O-OG1 3.38Å
153V98.6Very high98.1Very high28 Ų2850.6 Ų50.617%0.1728%0.278CS..Hα-helixtrans-67.3-39.7173.5178.60000110.8A58 F59 A62 F66 E155 T156 L157A58-V153 HydrophobicContact CB-CG2 3.68Å; F59-V153 HydrophobicContact CD1-CG1 4.14Å; F59-V153 HydrophobicContact CD1-CG2 4.04Å; F59-V153 HydrophobicContact CD2-CG2 3.99Å; F59-V153 HydrophobicContact CE1-CB 4.34Å; F59-V153 HydrophobicContact CE1-CG1 4.15Å; F59-V153 HydrophobicContact CE1-CG2 4.03Å; F59-V153 HydrophobicContact CE2-CG2 3.97Å; F59-V153 HydrophobicContact CG-CG2 4.01Å; F59-V153 HydrophobicContact CZ-CG2 3.99Å; A62-V153 HydrophobicContact CB-CG1 3.7Å; F66-V153 HydrophobicContact CE2-CG1 3.88Å; F66-V153 HydrophobicContact CZ-CG1 4.17Å; V153-E155 PolarHBondContact O-N 3.08Å; V153-T156 WeakPolarHBondContact O-CB 3.44Å; V153-T156 PolarHBondContact O-N 3.29Å; V153-L157 PolarHBondContact O-N 3.49Å
154E98.3Very high98.1Very high162 Ų16250.8 Ų50.876%0.75728%0.276SS*.Hα-helixtrans-63.6-43.1-179.9-63.9179.6-179.500111.9S152 T156 L157 R158S152-E154 PolarHBondContact OG-N 3.22Å; E154-T156 VanDerWaalsContact C-N 3.32Å; E154-L157 PolarHBondContact O-N 3.28Å; E154-R158 WeakPolarHBondContact O-CB 3.14Å; E154-R158 PolarHBondContact O-N 2.87Å
155E98.8Very high98.1Very high78 Ų7850.2 Ų50.236%0.36427%0.271SS..Hα-helixtrans-66.5-38.6176.7178.156.8-16700111.1S152 V153 R158 L159S152-E155 PolarHBondContact OG-N 3.44Å; V153-E155 PolarHBondContact O-N 3.08Å; E155-R158 PolarHBondContact O-N 2.81Å; E155-R158 IonicContact OE1-CZ 3.36Å; E155-R158 IonicContact OE1-NE 3.66Å; E155-R158 PolarHBondContact OE1-NE 2.67Å; E155-R158 IonicContact OE1-NH2 3.65Å; E155-R158 PolarHBondContact OE1-NH2 3.35Å; E155-R158 IonicContact OE2-CZ 3.96Å; E155-R158 IonicContact OE2-NE 3.44Å; E155-R158 PolarHBondContact OE2-NE 2.8Å; E155-R158 IonicContact OE2-NH2 2.78Å; E155-L159 HydrophobicContact CG-CD1 4.09Å; E155-L159 WeakPolarHBondContact O-CB 3.29Å; E155-L159 VanDerWaalsContact O-CG 3.3Å; E155-L159 WeakPolarHBondContact O-CG 3.14Å; E155-L159 PolarHBondContact O-N 2.96Å
156T98.9Very high98.1Very high7 Ų750 Ų504%0.04327%0.271CS..Hα-helixtrans-61.4-46.3175.6-550000110.9V40 F59 F66 L130 I132 S152 V153 E154 R158 L159 V160V40-T156 HydrophobicContact CB-CG2 4.42Å; V40-T156 HydrophobicContact CG1-CG2 3.76Å; V40-T156 HydrophobicContact CG2-CG2 3.7Å; F59-T156 HydrophobicContact CE1-CG2 3.95Å; F59-T156 HydrophobicContact CZ-CG2 4.22Å; F66-T156 HydrophobicContact CE1-CG2 4.07Å; F66-T156 HydrophobicContact CZ-CG2 4.16Å; L130-T156 HydrophobicContact CD1-CG2 4.01Å; L130-T156 HydrophobicContact CD2-CG2 4.1Å; I132-T156 HydrophobicContact CD1-CG2 4.48Å; S152-T156 PolarHBondContact O-N 3.06Å; S152-T156 PolarHBondContact O-OG1 3.38Å; V153-T156 WeakPolarHBondContact O-CB 3.44Å; V153-T156 PolarHBondContact O-N 3.29Å; E154-T156 VanDerWaalsContact C-N 3.32Å; T156-R158 PolarHBondContact O-N 3.09Å; T156-L159 PolarHBondContact O-N 3.47Å; T156-V160 WeakPolarHBondContact O-CG2 3.12Å; T156-V160 PolarHBondContact O-N 2.9Å
157L98.8Very high98.1Very high34 Ų3448.5 Ų48.518%0.17826%0.263CS..Hα-helixtrans-61.7-43.7176.8-174.863.2000111.6E65 F66 I69 V153 E154 L159 V160 Q161E65-L157 HydrophobicContact CB-CD2 4.27Å; F66-L157 HydrophobicContact CD1-CD1 3.89Å; F66-L157 HydrophobicContact CE1-CB 4.07Å; F66-L157 HydrophobicContact CE1-CD1 3.86Å; F66-L157 HydrophobicContact CG-CD1 4.27Å; F66-L157 HydrophobicContact CZ-CB 3.94Å; F66-L157 HydrophobicContact CZ-CD1 4.22Å; I69-L157 HydrophobicContact CD1-CD1 3.66Å; V153-L157 PolarHBondContact O-N 3.49Å; E154-L157 PolarHBondContact O-N 3.28Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.28Å; L157-V160 PolarHBondContact O-N 3.03Å; L157-Q161 VanDerWaalsContact O-CG 3.31Å; L157-Q161 WeakPolarHBondContact O-CG 3.37Å; L157-Q161 PolarHBondContact O-N 2.9Å
158R98.8Very high98.2Very high39 Ų3954.6 Ų54.615%0.14729%0.288CS..Hα-helixtrans-58.4-44.1176.2-170.2-163.972.7724111.7E154 E155 T156 Q161 A162 W177 K178E154-R158 WeakPolarHBondContact O-CB 3.14Å; E154-R158 PolarHBondContact O-N 2.87Å; E155-R158 PolarHBondContact O-N 2.81Å; E155-R158 IonicContact OE1-CZ 3.36Å; E155-R158 IonicContact OE1-NE 3.66Å; E155-R158 PolarHBondContact OE1-NE 2.67Å; E155-R158 IonicContact OE1-NH2 3.65Å; E155-R158 PolarHBondContact OE1-NH2 3.35Å; E155-R158 IonicContact OE2-CZ 3.96Å; E155-R158 IonicContact OE2-NE 3.44Å; E155-R158 PolarHBondContact OE2-NE 2.8Å; E155-R158 IonicContact OE2-NH2 2.78Å; T156-R158 PolarHBondContact O-N 3.09Å; R158-Q161 PolarHBondContact O-N 2.79Å; R158-A162 WeakPolarHBondContact O-CB 3.38Å; R158-A162 PolarHBondContact O-N 2.93Å; R158-W177 WeakPolarHBondContact CD-O 3.42Å; R158-W177 VanDerWaalsContact CG-O 3.26Å; R158-W177 WeakPolarHBondContact CG-O 3.44Å; R158-W177 PolarHBondContact NH1-O 2.84Å; R158-K178 HydrophobicContact CG-CG 4.26Å
159L98.9Very high98.3Very high27 Ų2754.8 Ų54.814%0.14128%0.28CS..Hα-helixtrans-65.8-43.4178.8-73167.2000112I132 Q141 E155 T156 L157 Q161 A162 F163I132-L159 HydrophobicContact CD1-CB 3.5Å; I132-L159 HydrophobicContact CD1-CD1 4.27Å; Q141-L159 HydrophobicContact CG-CD1 4.18Å; E155-L159 HydrophobicContact CG-CD1 4.09Å; E155-L159 WeakPolarHBondContact O-CB 3.29Å; E155-L159 VanDerWaalsContact O-CG 3.3Å; E155-L159 WeakPolarHBondContact O-CG 3.14Å; E155-L159 PolarHBondContact O-N 2.96Å; T156-L159 PolarHBondContact O-N 3.47Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.28Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 3.11Å; L159-A162 PolarHBondContact O-N 3.43Å; L159-F163 WeakPolarHBondContact O-CD2 3.5Å; L159-F163 PolarHBondContact O-N 3.12Å
160V98.9Very high98.3Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-58-48.4174.51750000110.3Y38 V40 F66 I69 C71 I132 T156 L157 A162 F163 Q164Y38-V160 HydrophobicContact CD1-CG1 4.06Å; Y38-V160 HydrophobicContact CG-CG1 4.41Å; V40-V160 HydrophobicContact CG2-CG2 3.78Å; F66-V160 HydrophobicContact CD1-CG2 4.47Å; F66-V160 HydrophobicContact CE1-CG2 4.27Å; I69-V160 HydrophobicContact CD1-CB 4.22Å; I69-V160 HydrophobicContact CD1-CG1 3.61Å; I69-V160 HydrophobicContact CG1-CG1 4.43Å; C71-V160 HydrophobicContact CB-CG1 3.98Å; I132-V160 HydrophobicContact CD1-CG2 4.08Å; I132-V160 HydrophobicContact CG1-CG2 4.37Å; I132-V160 HydrophobicContact CG2-CG2 3.97Å; T156-V160 WeakPolarHBondContact O-CG2 3.12Å; T156-V160 PolarHBondContact O-N 2.9Å; L157-V160 PolarHBondContact O-N 3.03Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 2.66Å; V160-F163 PolarHBondContact O-N 3.11Å; V160-Q164 HydrophobicContact CG1-CG 4.47Å; V160-Q164 WeakPolarHBondContact O-CG 3.45Å; V160-Q164 PolarHBondContact O-N 2.91Å
161Q98.8Very high98.4Very high50 Ų5053.6 Ų53.623%0.23427%0.274CS..Hα-helixtrans-61.3-39.1178.1-70.1169.9-20.700112.4I69 L157 R158 L159 F165 W177 P179I69-Q161 HydrophobicContact CD1-CG 3.76Å; L157-Q161 VanDerWaalsContact O-CG 3.31Å; L157-Q161 WeakPolarHBondContact O-CG 3.37Å; L157-Q161 PolarHBondContact O-N 2.9Å; R158-Q161 PolarHBondContact O-N 2.79Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 3.11Å; Q161-F165 WeakPolarHBondContact O-CB 3.3Å; Q161-F165 PolarHBondContact O-N 2.74Å; Q161-W177 HydrophobicContact CB-CZ3 4.26Å; Q161-P179 HydrophobicContact CB-CG 4.3Å; Q161-P179 HydrophobicContact CG-CG 4.48Å
162A98.8Very high98.3Very high10 Ų1055.2 Ų55.28%0.08329%0.287CS..Hα-helixtrans-64.1-48.5177.400000111.3R158 L159 V160 Q164 F165 T166 C173 W177R158-A162 WeakPolarHBondContact O-CB 3.38Å; R158-A162 PolarHBondContact O-N 2.93Å; L159-A162 PolarHBondContact O-N 3.43Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 2.66Å; A162-Q164 PolarHBondContact O-N 2.85Å; A162-F165 WeakPolarHBondContact O-CB 3.3Å; A162-F165 PolarHBondContact O-N 2.72Å; A162-T166 WeakPolarHBondContact O-CG2 3.33Å; A162-T166 PolarHBondContact O-N 2.89Å; A162-T166 PolarHBondContact O-OG1 2.82Å; A162-C173 HydrophobicContact CB-CB 4.35Å; A162-W177 VanDerWaalsContact CA-CZ3 3.41Å; A162-W177 HydrophobicContact CB-CE3 3.69Å; A162-W177 HydrophobicContact CB-CZ3 3.79Å
163F98.8Very high98.3Very high44 Ų4454.1 Ų54.119%0.19328%0.279CS..Hα-helixtrans-61.3-44.8177.7-76.8-64.2000112Y38 I132 R140 Q141 L159 V160 F165 T166 D167Y38-F163 HydrophobicContact CE1-CB 3.87Å; Y38-F163 WeakPolarHBondContact OH-CB 3.25Å; I132-F163 HydrophobicContact CG2-CD2 4.47Å; R140-F163 HydrophobicContact CB-CD1 4Å; R140-F163 HydrophobicContact CB-CD2 4.1Å; R140-F163 HydrophobicContact CB-CE1 3.85Å; R140-F163 HydrophobicContact CB-CE2 3.99Å; R140-F163 HydrophobicContact CB-CG 4.13Å; R140-F163 HydrophobicContact CB-CZ 3.85Å; R140-F163 HydrophobicContact CG-CD1 4.47Å; R140-F163 WeakPolarHBondContact O-CZ 3.16Å; Q141-F163 HydrophobicContact CB-CE2 3.73Å; Q141-F163 HydrophobicContact CB-CZ 4.13Å; Q141-F163 HydrophobicContact CG-CE2 4.21Å; L159-F163 WeakPolarHBondContact O-CD2 3.5Å; L159-F163 PolarHBondContact O-N 3.12Å; V160-F163 PolarHBondContact O-N 3.11Å; F163-F165 VanDerWaalsContact C-N 3.3Å; F163-F165 PolarHBondContact O-N 2.98Å; F163-T166 PolarHBondContact O-N 3.14Å; F163-T166 PolarHBondContact O-OG1 3.15Å; F163-D167 WeakPolarHBondContact O-CB 3.27Å; F163-D167 VanDerWaalsContact O-CG 3.32Å; F163-D167 PolarHBondContact O-N 3.06Å
164Q98.7Very high98.2Very high48 Ų4854.3 Ų54.322%0.22428%0.281CS..Hα-helixtrans-60.1-39.2175.8-72-179.8-13.300112.7Y38 I69 V160 A162 K168Y38-Q164 HydrophobicContact CD2-CG 4.01Å; Y38-Q164 HydrophobicContact CE1-CG 4.28Å; Y38-Q164 HydrophobicContact CE2-CG 3.76Å; Y38-Q164 HydrophobicContact CG-CG 4.39Å; I69-Q164 PolarHBondContact O-NE2 2.77Å; I69-Q164 PolarHBondContact O-OE1 2.92Å; V160-Q164 HydrophobicContact CG1-CG 4.47Å; V160-Q164 WeakPolarHBondContact O-CG 3.45Å; V160-Q164 PolarHBondContact O-N 2.91Å; A162-Q164 PolarHBondContact O-N 2.85Å; Q164-K168 WeakPolarHBondContact O-CB 3.35Å; Q164-K168 PolarHBondContact O-N 2.78Å; Q164-K168 VanDerWaalsContact O-N 3.09Å
165F98.6Very high98.2Very high53 Ų5351.7 Ų51.723%0.23229%0.287CS..Hα-helixtrans-62.1-50174.3-173.9-82.8000111Q161 A162 F163 D167 K168 H169 E171 W177 T183Q161-F165 WeakPolarHBondContact O-CB 3.3Å; Q161-F165 PolarHBondContact O-N 2.74Å; A162-F165 WeakPolarHBondContact O-CB 3.3Å; A162-F165 PolarHBondContact O-N 2.72Å; F163-F165 VanDerWaalsContact C-N 3.3Å; F163-F165 PolarHBondContact O-N 2.98Å; F165-D167 VanDerWaalsContact C-N 3.32Å; F165-D167 PolarHBondContact O-N 2.83Å; F165-K168 PolarHBondContact O-N 2.85Å; F165-H169 HydrophobicContact CD1-CB 4.36Å; F165-H169 AromaticContact CD2-CD2 3.56Å; F165-H169 HydrophobicContact CE1-CB 3.97Å; F165-H169 AromaticContact CE2-CD2 3.53Å; F165-H169 AromaticContact CE2-NE2 3.88Å; F165-H169 AromaticContact CG-CD2 3.85Å; F165-H169 HydrophobicContact CZ-CB 4.27Å; F165-H169 AromaticContact CZ-CD2 3.77Å; F165-H169 WeakPolarHBondContact O-CB 3.02Å; F165-H169 PolarHBondContact O-CD2 3.07Å; F165-H169 VanDerWaalsContact O-CD2 3.31Å; F165-H169 PolarHBondContact O-N 3Å; F165-E171 HydrophobicContact CE1-CB 4.23Å; F165-W177 HydrophobicContact CB-CH2 3.85Å; F165-W177 HydrophobicContact CB-CZ2 4.09Å; F165-W177 HydrophobicContact CD1-CZ2 4.39Å; F165-W177 HydrophobicContact CD2-CH2 4.23Å; F165-W177 AromaticContact CD2-CZ2 3.83Å; F165-W177 HydrophobicContact CD2-CZ2 3.83Å; F165-W177 HydrophobicContact CE2-CZ2 4.38Å; F165-W177 HydrophobicContact CG-CH2 4.11Å; F165-W177 AromaticContact CG-CZ2 3.83Å; F165-W177 HydrophobicContact CG-CZ2 3.83Å; F165-T183 HydrophobicContact CD1-CG2 4.18Å; F165-T183 HydrophobicContact CE1-CG2 3.56Å; F165-T183 HydrophobicContact CZ-CG2 3.97Å
166T98.3Very high98.1Very high31 Ų3150.7 Ų50.719%0.1930%0.297CS..Hα-helixtrans-62.7-38179.8620000112.6A162 F163 K168 G170 E171 C173A162-T166 WeakPolarHBondContact O-CG2 3.33Å; A162-T166 PolarHBondContact O-N 2.89Å; A162-T166 PolarHBondContact O-OG1 2.82Å; F163-T166 PolarHBondContact O-N 3.14Å; F163-T166 PolarHBondContact O-OG1 3.15Å; T166-K168 VanDerWaalsContact C-N 3.34Å; T166-K168 PolarHBondContact O-N 3.22Å; T166-G170 WeakPolarHBondContact O-CA 3.49Å; T166-G170 PolarHBondContact O-N 2.88Å; T166-E171 WeakPolarHBondContact CB-O 3.37Å; T166-E171 VanDerWaalsContact CG2-O 3.23Å; T166-E171 WeakPolarHBondContact CG2-O 3.18Å; T166-C173 HydrophobicContact CG2-CB 4.49Å
167D98Very high98Very high65 Ų6550.8 Ų50.835%0.34830%0.297SS..Hα-helixtrans-66.2-36.5178.2-75.3-3.2000112Y38 R140 F163 F165Y38-D167 PolarHBondContact OH-OD2 3.28Å; R140-D167 IonicContact CZ-OD1 3.94Å; R140-D167 IonicContact CZ-OD2 3.71Å; R140-D167 IonicContact NH1-OD1 2.97Å; R140-D167 PolarHBondContact NH1-OD1 3Å; R140-D167 IonicContact NH1-OD2 2.99Å; R140-D167 PolarHBondContact NH1-OD2 3.33Å; R140-D167 IonicContact NH2-OD1 2.71Å; R140-D167 PolarHBondContact NH2-OD1 3.38Å; F163-D167 WeakPolarHBondContact O-CB 3.27Å; F163-D167 VanDerWaalsContact O-CG 3.32Å; F163-D167 PolarHBondContact O-N 3.06Å; F165-D167 VanDerWaalsContact C-N 3.32Å; F165-D167 PolarHBondContact O-N 2.83Å
168K97.8Very high98Very high168 Ų16855.5 Ų55.573%0.7332%0.316SS*.Hα-helixtrans-80.6-38.8-179.1-176.8176.7178.1-177.30113.2Q164 F165 T166Q164-K168 WeakPolarHBondContact O-CB 3.35Å; Q164-K168 PolarHBondContact O-N 2.78Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; F165-K168 PolarHBondContact O-N 2.85Å; T166-K168 VanDerWaalsContact C-N 3.34Å; T166-K168 PolarHBondContact O-N 3.22Å
169H97.8Very high97.9Very high97 Ų9757.3 Ų57.345%0.44933%0.333SS..Hα-helixtrans-105.7-19.9-168.1-66.3-76.1000114F165 E171F165-H169 HydrophobicContact CD1-CB 4.36Å; F165-H169 AromaticContact CD2-CD2 3.56Å; F165-H169 HydrophobicContact CE1-CB 3.97Å; F165-H169 AromaticContact CE2-CD2 3.53Å; F165-H169 AromaticContact CE2-NE2 3.88Å; F165-H169 AromaticContact CG-CD2 3.85Å; F165-H169 HydrophobicContact CZ-CB 4.27Å; F165-H169 AromaticContact CZ-CD2 3.77Å; F165-H169 WeakPolarHBondContact O-CB 3.02Å; F165-H169 PolarHBondContact O-CD2 3.07Å; F165-H169 VanDerWaalsContact O-CD2 3.31Å; F165-H169 PolarHBondContact O-N 3Å; H169-E171 PolarHBondContact O-N 3.47Å
170G96.3Very high97.8Very high53 Ų5360 Ų6055%0.54637%0.367SS..  trans68.47.8-175.400000114.3T166 P186T166-G170 WeakPolarHBondContact O-CA 3.49Å; T166-G170 PolarHBondContact O-N 2.88Å; G170-P186 WeakPolarHBondContact O-CD 3.49Å
171E96.9Very high97.7Very high44 Ų4462.7 Ų62.721%0.20639%0.386CS..  trans-88.6167.4169-60.2-167.2179.600110.4F165 T166 H169 T183 K185F165-E171 HydrophobicContact CE1-CB 4.23Å; T166-E171 WeakPolarHBondContact CB-O 3.37Å; T166-E171 VanDerWaalsContact CG2-O 3.23Å; T166-E171 WeakPolarHBondContact CG2-O 3.18Å; H169-E171 PolarHBondContact O-N 3.47Å; E171-T183 VanDerWaalsContact OE2-CB 3.3Å; E171-T183 WeakPolarHBondContact OE2-CB 3.41Å; E171-T183 PolarHBondContact OE2-OG1 2.85Å; E171-K185 HydrophobicContact CG-CG 3.97Å; E171-K185 WeakPolarHBondContact OE1-CE 3.44Å; E171-K185 WeakPolarHBondContact OE1-CG 3.28Å
172V97.1Very high97.7Very high64 Ų6464.3 Ų64.339%0.38840%0.396SS..BIsolated β-bridgetrans-111.4144.7176.6-560000111.6I184 P186V172-I184 HydrophobicContact CG2-CB 3.73Å; V172-I184 HydrophobicContact CG2-CG2 4.33Å; V172-I184 WeakPolarHBondContact CG2-O 3.4Å; V172-I184 PolarHBondContact N-O 3.44Å; V172-I184 PolarHBondContact O-N 3.35Å; V172-P186 HydrophobicContact CG1-CB 4.13Å; V172-P186 HydrophobicContact CG1-CG 4.31Å
173C98.1Very high97.6Very high34 Ų3465.1 Ų65.123%0.2340%0.4CS..PPolyproline II helixtrans-89.7123.5179.7-65.90000110.8A162 T166 W177A162-C173 HydrophobicContact CB-CB 4.35Å; T166-C173 HydrophobicContact CG2-CB 4.49Å; C173-W177 HydrophobicContact CB-CB 3.82Å; C173-W177 HydrophobicContact CB-CD2 3.98Å; C173-W177 HydrophobicContact CB-CE3 4.39Å; C173-W177 HydrophobicContact CB-CG 3.72Å
174P97.5Very high97.6Very high32 Ų3264.1 Ų64.121%0.20840%0.396CS..PPolyproline II helixtrans-64.7173.8174.2-22.233.2000114.1G176 W177 D182 I184 F194P174-G176 PolarHBondContact O-N 3.18Å; P174-W177 VanDerWaalsContact O-CB 3.24Å; P174-W177 WeakPolarHBondContact O-CB 3.5Å; P174-W177 PolarHBondContact O-N 2.97Å; P174-W177 VanDerWaalsContact O-N 3.16Å; P174-D182 WeakPolarHBondContact CD-O 3.43Å; P174-I184 HydrophobicContact CG-CD1 3.97Å; P174-I184 HydrophobicContact CG-CG1 4.1Å; P174-F194 HydrophobicContact CB-CZ 4.04Å; P174-F194 HydrophobicContact CG-CE1 4.36Å; P174-F194 HydrophobicContact CG-CE2 3.62Å; P174-F194 HydrophobicContact CG-CZ 3.49Å; P174-F194 VanDerWaalsContact CG-CZ 3.49Å
175A97.6Very high97.5Very high107 Ų10766.4 Ų66.488%0.88441%0.405SS*.THydrogen-bonded Turntrans-57.2132.217400000111.2W177A175-W177 PolarHBondContact O-N 3.4Å
176G95.9Very high97.3Very high57 Ų5768.2 Ų68.259%0.58842%0.423SS*.THydrogen-bonded Turntrans70.39.4-18000000115.3P174 K178P174-G176 PolarHBondContact O-N 3.18Å; G176-K178 PolarHBondContact O-N 3.33Å
177W98.5Very high97.3Very high9 Ų970.3 Ų70.33%0.03443%0.433CS..  trans-51.9135.9-179.7178.592.9000112.3R158 Q161 A162 F165 C173 P174 A175 P179 S181R158-W177 WeakPolarHBondContact CD-O 3.42Å; R158-W177 VanDerWaalsContact CG-O 3.26Å; R158-W177 WeakPolarHBondContact CG-O 3.44Å; R158-W177 PolarHBondContact NH1-O 2.84Å; Q161-W177 HydrophobicContact CB-CZ3 4.26Å; A162-W177 VanDerWaalsContact CA-CZ3 3.41Å; A162-W177 HydrophobicContact CB-CE3 3.69Å; A162-W177 HydrophobicContact CB-CZ3 3.79Å; F165-W177 HydrophobicContact CB-CH2 3.85Å; F165-W177 HydrophobicContact CB-CZ2 4.09Å; F165-W177 HydrophobicContact CD1-CZ2 4.39Å; F165-W177 HydrophobicContact CD2-CH2 4.23Å; F165-W177 AromaticContact CD2-CZ2 3.83Å; F165-W177 HydrophobicContact CD2-CZ2 3.83Å; F165-W177 HydrophobicContact CE2-CZ2 4.38Å; F165-W177 HydrophobicContact CG-CH2 4.11Å; F165-W177 AromaticContact CG-CZ2 3.83Å; F165-W177 HydrophobicContact CG-CZ2 3.83Å; C173-W177 HydrophobicContact CB-CB 3.82Å; C173-W177 HydrophobicContact CB-CD2 3.98Å; C173-W177 HydrophobicContact CB-CE3 4.39Å; C173-W177 HydrophobicContact CB-CG 3.72Å; P174-W177 VanDerWaalsContact O-CB 3.24Å; P174-W177 WeakPolarHBondContact O-CB 3.5Å; P174-W177 PolarHBondContact O-N 2.97Å; P174-W177 VanDerWaalsContact O-N 3.16Å; A175-W177 PolarHBondContact O-N 3.4Å; W177-P179 HydrophobicContact CH2-CG 4.34Å; W177-P179 HydrophobicContact CZ3-CG 4.45Å; W177-S181 PolarHBondContact NE1-O 2.86Å; W177-S181 VanDerWaalsContact NE1-O 3.1Å
178K97.8Very high97.2Very high134 Ų13473 Ų7358%0.58345%0.451SS*.  trans-127.4159171.8-70.6-178.6178-175.50109.2R158 G176 G180 S181R158-K178 HydrophobicContact CG-CG 4.26Å; G176-K178 PolarHBondContact O-N 3.33Å; K178-G180 PolarHBondContact O-N 3.11Å; K178-S181 PolarHBondContact N-OG 2.89Å; K178-S181 WeakPolarHBondContact O-CB 3.47Å; K178-S181 PolarHBondContact O-N 3.43Å; K178-S181 PolarHBondContact O-OG 3.1Å
179P97.5Very high97.2Very high77 Ų7770.7 Ų70.750%0.544%0.443SS..THydrogen-bonded Turntrans-48129174.4-28.435.1000112.3Q161 W177Q161-P179 HydrophobicContact CB-CG 4.3Å; Q161-P179 HydrophobicContact CG-CG 4.48Å; W177-P179 HydrophobicContact CH2-CG 4.34Å; W177-P179 HydrophobicContact CZ3-CG 4.45Å
180G96.6Very high97.1Very high83 Ų8371.9 Ų71.986%0.85645%0.447SS*.THydrogen-bonded Turntrans88.7-7.1-176.100000115.5K178K178-G180 PolarHBondContact O-N 3.11Å
181S97.3Very high97.1Very high57 Ų5770.3 Ų70.340%0.39943%0.427SS..SBendtrans-76.3153172.1-57.20000111.7W177 K178W177-S181 PolarHBondContact NE1-O 2.86Å; W177-S181 VanDerWaalsContact NE1-O 3.1Å; K178-S181 PolarHBondContact N-OG 2.89Å; K178-S181 WeakPolarHBondContact O-CB 3.47Å; K178-S181 PolarHBondContact O-N 3.43Å; K178-S181 PolarHBondContact O-OG 3.1Å
182D97Very high97.1Very high84 Ų8473.2 Ų73.245%0.44944%0.439SS..  trans-59.8148.2175.5-79.9-6000112.4P174 F194P174-D182 WeakPolarHBondContact CD-O 3.43Å; D182-F194 HydrophobicContact CB-CD2 3.89Å; D182-F194 HydrophobicContact CB-CE2 3.7Å
183T97.9Very high97Very high26 Ų2675 Ų7516%0.1645%0.447CS..  trans-127.5167-17844.30000111.7F165 E171 F194F165-T183 HydrophobicContact CD1-CG2 4.18Å; F165-T183 HydrophobicContact CE1-CG2 3.56Å; F165-T183 HydrophobicContact CZ-CG2 3.97Å; E171-T183 VanDerWaalsContact OE2-CB 3.3Å; E171-T183 WeakPolarHBondContact OE2-CB 3.41Å; E171-T183 PolarHBondContact OE2-OG1 2.85Å; T183-F194 WeakPolarHBondContact O-CD2 3.44Å
184I97.7Very high96.9Very high24 Ų2474.3 Ų74.312%0.12344%0.44CS..BIsolated β-bridgetrans-115.2128.2-176.1-55.5163.3000109.1V172 P174 P186 F194 F195V172-I184 HydrophobicContact CG2-CB 3.73Å; V172-I184 HydrophobicContact CG2-CG2 4.33Å; V172-I184 WeakPolarHBondContact CG2-O 3.4Å; V172-I184 PolarHBondContact N-O 3.44Å; V172-I184 PolarHBondContact O-N 3.35Å; P174-I184 HydrophobicContact CG-CD1 3.97Å; P174-I184 HydrophobicContact CG-CG1 4.1Å; I184-P186 WeakPolarHBondContact O-CD 3.16Å; I184-F194 HydrophobicContact CD1-CD1 3.82Å; I184-F194 HydrophobicContact CD1-CE1 3.83Å; I184-F194 HydrophobicContact CD1-CG 4.27Å; I184-F194 HydrophobicContact CD1-CZ 4.28Å; I184-F194 HydrophobicContact CG1-CB 3.94Å; I184-F194 HydrophobicContact CG1-CD1 3.53Å; I184-F194 HydrophobicContact CG1-CD2 3.76Å; I184-F194 HydrophobicContact CG1-CE1 3.9Å; I184-F194 HydrophobicContact CG1-CE2 4.11Å; I184-F194 HydrophobicContact CG1-CG 3.45Å; I184-F194 VanDerWaalsContact CG1-CG 3.45Å; I184-F194 HydrophobicContact CG1-CZ 4.17Å; I184-F195 HydrophobicContact CD1-CZ 4.35Å
185K97.2Very high96.9Very high95 Ų9578.7 Ų78.741%0.41346%0.456SS..  trans-73.9122.4165.5-69.6176.8-176.2170.40108.4E171 D187 K190E171-K185 HydrophobicContact CG-CG 3.97Å; E171-K185 WeakPolarHBondContact OE1-CE 3.44Å; E171-K185 WeakPolarHBondContact OE1-CG 3.28Å; K185-D187 PolarHBondContact O-N 3.05Å; K185-K190 HydrophobicContact CB-CB 3.79Å; K185-K190 HydrophobicContact CB-CD 4.46Å; K185-K190 HydrophobicContact CD-CB 4.14Å; K185-K190 HydrophobicContact CD-CD 4.13Å
186P95.6Very high96.8Very high91 Ų9178.1 Ų78.159%0.59145%0.446SS*.SBendtrans-76.464.4-173.732.1-36.8000111.9G170 V172 I184G170-P186 WeakPolarHBondContact O-CD 3.49Å; V172-P186 HydrophobicContact CG1-CB 4.13Å; V172-P186 HydrophobicContact CG1-CG 4.31Å; I184-P186 WeakPolarHBondContact O-CD 3.16Å
187D97.6Very high96.6Very high75 Ų7582 Ų8240%0.40145%0.446SS..SBendtrans-144.7141.1178.8170-94.4000109.2K185 Q189 K190 S191K185-D187 PolarHBondContact O-N 3.05Å; D187-Q189 VanDerWaalsContact C-N 3.26Å; D187-Q189 PolarHBondContact O-N 3.24Å; D187-Q189 PolarHBondContact OD1-N 3.12Å; D187-K190 HydrophobicContact CB-CB 4.12Å; D187-K190 HydrophobicContact CB-CD 4.25Å; D187-K190 HydrophobicContact CB-CG 4.32Å; D187-K190 PolarHBondContact O-N 3.13Å; D187-K190 WeakPolarHBondContact OD1-CG 3.31Å; D187-K190 PolarHBondContact OD1-N 2.9Å; D187-S191 WeakPolarHBondContact O-CB 3.49Å; D187-S191 PolarHBondContact O-N 2.81Å; D187-S191 PolarHBondContact O-OG 3.29Å
188V96.2Very high95.9Very high122 Ų12290 Ų9074%0.73948%0.484SS*.THydrogen-bonded Turntrans-60.8-35.2-172.6177.30000112.2S191V188-S191 PolarHBondContact O-OG 3.38Å
189Q96.6Very high95.8Very high120 Ų12087.9 Ų87.956%0.56148%0.479SS*.THydrogen-bonded Turntrans-88-43.5-178.3-173.557.931.400111.4D187 K192D187-Q189 VanDerWaalsContact C-N 3.26Å; D187-Q189 PolarHBondContact O-N 3.24Å; D187-Q189 PolarHBondContact OD1-N 3.12Å; Q189-K192 WeakPolarHBondContact O-CB 3.47Å; Q189-K192 PolarHBondContact O-N 3.48Å
190K95.9Very high95.7Very high122 Ų12288.4 Ų88.453%0.5348%0.478SS..THydrogen-bonded Turntrans-72.4-27.3-177.9-61.5175.3-176.6173.30113.3K185 D187 K192 D193K185-K190 HydrophobicContact CB-CB 3.79Å; K185-K190 HydrophobicContact CB-CD 4.46Å; K185-K190 HydrophobicContact CD-CB 4.14Å; K185-K190 HydrophobicContact CD-CD 4.13Å; D187-K190 HydrophobicContact CB-CB 4.12Å; D187-K190 HydrophobicContact CB-CD 4.25Å; D187-K190 HydrophobicContact CB-CG 4.32Å; D187-K190 PolarHBondContact O-N 3.13Å; D187-K190 WeakPolarHBondContact OD1-CG 3.31Å; D187-K190 PolarHBondContact OD1-N 2.9Å; K190-K192 PolarHBondContact O-N 3.08Å; K190-D193 PolarHBondContact O-N 2.91Å
191S96.8Very high95.7Very high19 Ų1988.7 Ų88.713%0.13346%0.457CS..THydrogen-bonded Turntrans-64.7-21.3176.857.10000113.3D187 V188 D193 F194 F195D187-S191 WeakPolarHBondContact O-CB 3.49Å; D187-S191 PolarHBondContact O-N 2.81Å; D187-S191 PolarHBondContact O-OG 3.29Å; V188-S191 PolarHBondContact O-OG 3.38Å; S191-D193 PolarHBondContact O-N 3.06Å; S191-F194 WeakPolarHBondContact O-CB 3.17Å; S191-F194 PolarHBondContact O-N 2.8Å; S191-F194 VanDerWaalsContact O-N 3.08Å; S191-F195 WeakPolarHBondContact O-CD2 3.48Å; S191-F195 PolarHBondContact O-N 3.43Å
192K96.3Very high95.6Very high106 Ų10690.6 Ų90.646%0.46146%0.461SS..Hα-helixtrans-59.8-30.8176.8-65.6177.2-179.71710112.7Q189 K190 F194 F195 S196Q189-K192 WeakPolarHBondContact O-CB 3.47Å; Q189-K192 PolarHBondContact O-N 3.48Å; K190-K192 PolarHBondContact O-N 3.08Å; K192-F194 PolarHBondContact O-N 2.87Å; K192-F195 PolarHBondContact O-N 2.75Å; K192-S196 WeakPolarHBondContact O-CB 3.38Å; K192-S196 PolarHBondContact O-N 3.46Å; K192-S196 PolarHBondContact O-OG 3.1Å
193D96Very high95.5Very high101 Ų10191 Ų9154%0.5446%0.461SS..Hα-helixtrans-60.3-29.6177-64-13.3000112.5K190 S191 K197K190-D193 PolarHBondContact O-N 2.91Å; S191-D193 PolarHBondContact O-N 3.06Å; D193-K197 WeakPolarHBondContact O-CD 3.44Å; D193-K197 VanDerWaalsContact O-CE 3.22Å; D193-K197 WeakPolarHBondContact O-CE 3.19Å; D193-K197 WeakPolarHBondContact O-CG 3.17Å
194F96.6Very high95.3Very high20 Ų2095.3 Ų95.39%0.08848%0.481CS..Hα-helixtrans-81.7-49.9174.4176.4-89.7000111P174 D182 T183 I184 S191 K192 S196 K197 Q198P174-F194 HydrophobicContact CB-CZ 4.04Å; P174-F194 HydrophobicContact CG-CE1 4.36Å; P174-F194 HydrophobicContact CG-CE2 3.62Å; P174-F194 HydrophobicContact CG-CZ 3.49Å; P174-F194 VanDerWaalsContact CG-CZ 3.49Å; D182-F194 HydrophobicContact CB-CD2 3.89Å; D182-F194 HydrophobicContact CB-CE2 3.7Å; T183-F194 WeakPolarHBondContact O-CD2 3.44Å; I184-F194 HydrophobicContact CD1-CD1 3.82Å; I184-F194 HydrophobicContact CD1-CE1 3.83Å; I184-F194 HydrophobicContact CD1-CG 4.27Å; I184-F194 HydrophobicContact CD1-CZ 4.28Å; I184-F194 HydrophobicContact CG1-CB 3.94Å; I184-F194 HydrophobicContact CG1-CD1 3.53Å; I184-F194 HydrophobicContact CG1-CD2 3.76Å; I184-F194 HydrophobicContact CG1-CE1 3.9Å; I184-F194 HydrophobicContact CG1-CE2 4.11Å; I184-F194 HydrophobicContact CG1-CG 3.45Å; I184-F194 VanDerWaalsContact CG1-CG 3.45Å; I184-F194 HydrophobicContact CG1-CZ 4.17Å; S191-F194 WeakPolarHBondContact O-CB 3.17Å; S191-F194 PolarHBondContact O-N 2.8Å; S191-F194 VanDerWaalsContact O-N 3.08Å; K192-F194 PolarHBondContact O-N 2.87Å; F194-S196 VanDerWaalsContact C-N 3.29Å; F194-S196 PolarHBondContact O-N 3.48Å; F194-K197 PolarHBondContact O-N 3.14Å; F194-K197 VanDerWaalsContact O-N 3.11Å; F194-Q198 HydrophobicContact CD1-CG 4.46Å; F194-Q198 HydrophobicContact CE1-CG 4.06Å
195F95.7Very high95.1Very high124 Ų124100.4 Ų100.454%0.54451%0.507SS..Hα-helixtrans-67.3-26.3-173.8-68.3-62.4000113.8I184 S191 K192 K197I184-F195 HydrophobicContact CD1-CZ 4.35Å; S191-F195 WeakPolarHBondContact O-CD2 3.48Å; S191-F195 PolarHBondContact O-N 3.43Å; K192-F195 PolarHBondContact O-N 2.75Å; F195-K197 PolarHBondContact O-N 3.04Å
196S95.9Very high95Very high95 Ų95100.8 Ų100.866%0.66451%0.514SS*.THydrogen-bonded Turntrans-73.5-9175.566.50000114.1K192 F194K192-S196 WeakPolarHBondContact O-CB 3.38Å; K192-S196 PolarHBondContact O-N 3.46Å; K192-S196 PolarHBondContact O-OG 3.1Å; F194-S196 VanDerWaalsContact C-N 3.29Å; F194-S196 PolarHBondContact O-N 3.48Å
197K92.9Very high94.9Very high139 Ų139101.7 Ų101.760%0.60451%0.508SS*.THydrogen-bonded Turntrans-100.8-8.6-179.2-62.1174.8-177.7174.10113.6D193 F194 F195D193-K197 WeakPolarHBondContact O-CD 3.44Å; D193-K197 VanDerWaalsContact O-CE 3.22Å; D193-K197 WeakPolarHBondContact O-CE 3.19Å; D193-K197 WeakPolarHBondContact O-CG 3.17Å; F194-K197 PolarHBondContact O-N 3.14Å; F194-K197 VanDerWaalsContact O-N 3.11Å; F195-K197 PolarHBondContact O-N 3.04Å
198Q82.7Confident94.7Very high177 Ų177104.1 Ų104.183%0.82752%0.517SS*.  trans-79.30177.4-58.1-59.8-47.700110.3F194F194-Q198 HydrophobicContact CD1-CG 4.46Å; F194-Q198 HydrophobicContact CE1-CG 4.06Å

Retrieved 198 of 198 residues in 279.9 ms (Link to these results)

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