A0A077YZB9_TRITR Loading...

Malate synthase

AlphaFold DB , UniProt , Accession A0A077YZB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 971 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
1M39.1Very low70Confident239 Ų23997.8 Ų97.8100%1.17753%0.534SS*.  0109.80-71.8173.6-172.700107.5I3M1-I3 PolarHBondContact O-N 3.5Å
2S42.3Very low70.7Confident121 Ų12198.3 Ų98.385%0.84652%0.522SS*.  trans-69.9111.6174.2174.50000107.5S4S2-S4 PolarHBondContact O-N 2.62Å; S2-S4 VanDerWaalsContact O-N 3.08Å
3I48.9Very low71.9Confident154 Ų15497.8 Ų97.879%0.7953%0.531SS*.  trans-61.3111.2168.3-61171.8000105.1M1 K5M1-I3 PolarHBondContact O-N 3.5Å; I3-K5 PolarHBondContact O-N 2.88Å
4S60.5Low72.8Confident104 Ų10492.9 Ų92.973%0.72751%0.506SS*.  trans-62.9112.5-179.970.10000107.8S2 G6S2-S4 PolarHBondContact O-N 2.62Å; S2-S4 VanDerWaalsContact O-N 3.08Å; S4-G6 PolarHBondContact O-N 3.31Å
5K69.4Low73.6Confident144 Ų14488.3 Ų88.363%0.62648%0.482SS*.  trans-57.4133.5176.3-74.4-174.1176.3-176.30109.4I3 D9 L28I3-K5 PolarHBondContact O-N 2.88Å; K5-D9 WeakPolarHBondContact CA-OD2 3.4Å; K5-D9 HydrophobicContact CB-CB 4.38Å; K5-D9 HydrophobicContact CG-CB 4.4Å; K5-L28 HydrophobicContact CB-CD2 3.8Å; K5-L28 WeakPolarHBondContact O-CD2 3.21Å
6G83.6Confident74.2Confident31 Ų3196.1 Ų96.132%0.3251%0.51SS..  trans-98.6173.4169.700000111.4S4 Q8 D9S4-G6 PolarHBondContact O-N 3.31Å; G6-Q8 PolarHBondContact O-N 2.9Å; G6-D9 PolarHBondContact N-OD2 3.3Å; G6-D9 WeakPolarHBondContact O-CB 3.45Å; G6-D9 PolarHBondContact O-N 2.66Å; G6-D9 VanDerWaalsContact O-N 3.08Å
7F86Confident74.7Confident43 Ų4392.6 Ų92.619%0.18950%0.503CS..G310 helixtrans-56.9-31.7172.7-77.9-89.8000112.8D9 I10 I11 R24 Y26 L28 V31 D212F7-D9 PolarHBondContact O-N 3.33Å; F7-I10 VanDerWaalsContact O-CG1 3.25Å; F7-I10 WeakPolarHBondContact O-CG1 3.16Å; F7-I10 PolarHBondContact O-N 3.43Å; F7-I11 HydrophobicContact CB-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.46Å; F7-I11 PolarHBondContact O-N 3.44Å; F7-I11 VanDerWaalsContact O-N 3.12Å; F7-R24 VanDerWaalsContact CE1-CD 3.43Å; F7-Y26 HydrophobicContact CE1-CD2 4.37Å; F7-Y26 AromaticContact CE1-CE2 3.94Å; F7-Y26 HydrophobicContact CE1-CE2 3.94Å; F7-Y26 HydrophobicContact CZ-CD2 4.22Å; F7-Y26 HydrophobicContact CZ-CE2 4.15Å; F7-L28 HydrophobicContact CD1-CD1 4.21Å; F7-L28 HydrophobicContact CE1-CD1 4.48Å; F7-L28 HydrophobicContact CE2-CB 4.29Å; F7-L28 HydrophobicContact CG-CD1 4.39Å; F7-L28 HydrophobicContact CZ-CB 4.37Å; F7-V31 HydrophobicContact CE1-CG2 3.73Å; F7-D212 HydrophobicContact CD1-CB 4.49Å
8Q83.4Confident75.4Confident116 Ų11687.8 Ų87.854%0.54248%0.476SS..G310 helixtrans-64.5-20.5178.6-62.6-179.914.700113.2G6 V14G6-Q8 PolarHBondContact O-N 2.9Å; Q8-V14 HydrophobicContact CG-CG1 4.5Å
9D83.3Confident76.2Confident104 Ų10484.1 Ų84.156%0.55646%0.455SS*.G310 helixtrans-82.3-15.3179.5-59.4-46.8000113.1K5 G6 F7K5-D9 WeakPolarHBondContact CA-OD2 3.4Å; K5-D9 HydrophobicContact CB-CB 4.38Å; K5-D9 HydrophobicContact CG-CB 4.4Å; G6-D9 PolarHBondContact N-OD2 3.3Å; G6-D9 WeakPolarHBondContact O-CB 3.45Å; G6-D9 PolarHBondContact O-N 2.66Å; G6-D9 VanDerWaalsContact O-N 3.08Å; F7-D9 PolarHBondContact O-N 3.33Å
10I86.6Confident76.7Confident15 Ų1586 Ų868%0.07747%0.47CS..THydrogen-bonded Turntrans-109.9-22.1178.862.9157.1000113F7 L28 V31 L32F7-I10 VanDerWaalsContact O-CG1 3.25Å; F7-I10 WeakPolarHBondContact O-CG1 3.16Å; F7-I10 PolarHBondContact O-N 3.43Å; I10-L28 HydrophobicContact CD1-CD1 3.35Å; I10-L28 HydrophobicContact CG1-CD1 3.73Å; I10-L28 HydrophobicContact CG2-CD1 4.23Å; I10-V31 HydrophobicContact CD1-CB 4.11Å; I10-V31 HydrophobicContact CD1-CG1 3.49Å; I10-V31 VanDerWaalsContact CD1-CG1 3.49Å; I10-L32 HydrophobicContact CG2-CD2 3.9Å
11I86.7Confident77.1Confident5 Ų585.3 Ų85.33%0.02647%0.471CS..SBendtrans-92.4122.4176.3-54.6166.7000107.6F7 V14 F19 D212 G215 P217F7-I11 HydrophobicContact CB-CD1 4.19Å; F7-I11 WeakPolarHBondContact O-CG1 3.46Å; F7-I11 PolarHBondContact O-N 3.44Å; F7-I11 VanDerWaalsContact O-N 3.12Å; I11-V14 HydrophobicContact CB-CG2 3.51Å; I11-V14 HydrophobicContact CG2-CG2 3.29Å; I11-V14 VanDerWaalsContact O-CG2 3.31Å; I11-V14 WeakPolarHBondContact O-CG2 3.38Å; I11-F19 HydrophobicContact CD1-CD2 4.3Å; I11-F19 HydrophobicContact CD1-CE2 3.65Å; I11-F19 HydrophobicContact CD1-CZ 4.15Å; I11-F19 HydrophobicContact CG2-CE2 4.33Å; I11-D212 VanDerWaalsContact CD1-OD1 3.31Å; I11-D212 WeakPolarHBondContact CD1-OD1 3.26Å; I11-G215 WeakPolarHBondContact CA-O 3.49Å; I11-P217 HydrophobicContact CG2-CB 3.87Å; I11-P217 HydrophobicContact CG2-CG 4.37Å
12R79.3Confident79.7Confident104 Ų10474.8 Ų74.839%0.39242%0.42SS..THydrogen-bonded Turntrans-76.1145.4-173.5-68.5-172.7176.2-1695.2112.7V14 D41 T46 G215R12-V14 PolarHBondContact O-N 3.16Å; R12-V14 VanDerWaalsContact O-N 3.08Å; R12-D41 IonicContact CZ-OD1 2.96Å; R12-D41 IonicContact CZ-OD2 2.92Å; R12-D41 IonicContact NE-OD1 2.76Å; R12-D41 IonicContact NH1-OD1 2.95Å; R12-D41 PolarHBondContact NH1-OD1 3.48Å; R12-D41 IonicContact NH1-OD2 3.12Å; R12-D41 PolarHBondContact NH1-OD2 2.84Å; R12-D41 VanDerWaalsContact NH2-CG 3.3Å; R12-D41 IonicContact NH2-OD1 3.4Å; R12-D41 PolarHBondContact NH2-OD1 3.45Å; R12-D41 IonicContact NH2-OD2 3.23Å; R12-D41 PolarHBondContact NH2-OD2 2.74Å; R12-T46 HydrophobicContact CB-CG2 3.98Å; R12-G215 PolarHBondContact N-O 3.3Å
13S85.4Confident82.2Confident91 Ų9176.6 Ų76.664%0.63641%0.409SS*.THydrogen-bonded Turntrans53.430.6170.6-540000114.7P15 V50S13-P15 WeakPolarHBondContact O-CD 3.12Å; S13-V50 WeakPolarHBondContact O-CG2 3.44Å
14V84.6Confident84.5Confident29 Ų2971.1 Ų71.118%0.17638%0.378CS..PPolyproline II helixtrans-64.6123.8-177.6177.20000110.5Q8 I11 R12 R18 F19 P217Q8-V14 HydrophobicContact CG-CG1 4.5Å; I11-V14 HydrophobicContact CB-CG2 3.51Å; I11-V14 HydrophobicContact CG2-CG2 3.29Å; I11-V14 VanDerWaalsContact O-CG2 3.31Å; I11-V14 WeakPolarHBondContact O-CG2 3.38Å; R12-V14 PolarHBondContact O-N 3.16Å; R12-V14 VanDerWaalsContact O-N 3.08Å; V14-R18 HydrophobicContact CG1-CB 3.7Å; V14-R18 HydrophobicContact CG1-CG 4.13Å; V14-F19 HydrophobicContact CG1-CD2 3.88Å; V14-F19 HydrophobicContact CG1-CE2 3.74Å; V14-F19 HydrophobicContact CG2-CE2 3.92Å; V14-P217 HydrophobicContact CG2-CB 4.24Å
15P84.6Confident86.1Confident24 Ų2470.4 Ų70.416%0.15637%0.371CS..PPolyproline II helixtrans-59.1140171.1-24.535.4000111.1S13 G17 R18 V50 W53S13-P15 WeakPolarHBondContact O-CD 3.12Å; P15-G17 PolarHBondContact O-N 2.96Å; P15-R18 HydrophobicContact CB-CB 4.42Å; P15-R18 WeakPolarHBondContact O-CB 3.47Å; P15-R18 PolarHBondContact O-N 2.96Å; P15-R18 VanDerWaalsContact O-N 3.07Å; P15-V50 HydrophobicContact CG-CG1 4.25Å; P15-W53 HydrophobicContact CG-CB 4.46Å; P15-W53 HydrophobicContact CG-CG 4.3Å
16K83.2Confident87.4Confident213 Ų21365 Ų6593%0.92635%0.347SS*.THydrogen-bonded Turntrans-56128.9-179.4-170.6177.9179.9-179.10110.4R18K16-R18 VanDerWaalsContact C-N 3.3Å; K16-R18 PolarHBondContact O-N 2.86Å
17G82.6Confident87.9Confident37 Ų3767.5 Ų67.538%0.38135%0.353SS..THydrogen-bonded Turntrans81.4-1.7178.500000115.7P15 F19 T20P15-G17 PolarHBondContact O-N 2.96Å; G17-F19 PolarHBondContact O-N 2.84Å; G17-T20 VanDerWaalsContact C-OG1 3.3Å; G17-T20 VanDerWaalsContact CA-OG1 3.27Å; G17-T20 WeakPolarHBondContact CA-OG1 3.3Å; G17-T20 PolarHBondContact O-N 3.2Å; G17-T20 VanDerWaalsContact O-N 3.14Å; G17-T20 PolarHBondContact O-OG1 2.82Å
18R87.7Confident88.3Confident6 Ų666.6 Ų66.62%0.02335%0.35CS..THydrogen-bonded Turntrans-48.8-36.4-176.9173.762.2-177.179.83.5115.5V14 P15 K16 W53 D279V14-R18 HydrophobicContact CG1-CB 3.7Å; V14-R18 HydrophobicContact CG1-CG 4.13Å; P15-R18 HydrophobicContact CB-CB 4.42Å; P15-R18 WeakPolarHBondContact O-CB 3.47Å; P15-R18 PolarHBondContact O-N 2.96Å; P15-R18 VanDerWaalsContact O-N 3.07Å; K16-R18 VanDerWaalsContact C-N 3.3Å; K16-R18 PolarHBondContact O-N 2.86Å; R18-W53 VanDerWaalsContact NE-CD2 3.34Å; R18-W53 VanDerWaalsContact NE-CE3 3.27Å; R18-D279 IonicContact CZ-OD1 3.69Å; R18-D279 IonicContact CZ-OD2 3.33Å; R18-D279 IonicContact NH1-OD1 2.81Å; R18-D279 PolarHBondContact NH1-OD1 2.85Å; R18-D279 IonicContact NH1-OD2 3.93Å; R18-D279 IonicContact NH2-OD1 3.71Å; R18-D279 PolarHBondContact NH2-OD1 3.25Å; R18-D279 IonicContact NH2-OD2 3.67Å; R18-D279 PolarHBondContact NH2-OD2 3.48Å
19F91.1Very high88.8Confident18 Ų1867.1 Ų67.18%0.07935%0.352CS..THydrogen-bonded Turntrans-112.815.3-174.1-61.1-58.5000114.1I11 V14 G17 S21 T22 P217I11-F19 HydrophobicContact CD1-CD2 4.3Å; I11-F19 HydrophobicContact CD1-CE2 3.65Å; I11-F19 HydrophobicContact CD1-CZ 4.15Å; I11-F19 HydrophobicContact CG2-CE2 4.33Å; V14-F19 HydrophobicContact CG1-CD2 3.88Å; V14-F19 HydrophobicContact CG1-CE2 3.74Å; V14-F19 HydrophobicContact CG2-CE2 3.92Å; G17-F19 PolarHBondContact O-N 2.84Å; F19-S21 VanDerWaalsContact C-N 3.27Å; F19-S21 PolarHBondContact O-N 2.85Å; F19-T22 HydrophobicContact CD1-CG2 4.48Å; F19-T22 PolarHBondContact O-N 3.2Å; F19-T22 VanDerWaalsContact O-N 3.1Å; F19-P217 HydrophobicContact CZ-CB 4.22Å
20T85.5Confident89.4Confident122 Ų12264.3 Ų64.375%0.74834%0.337SS*.THydrogen-bonded Turntrans-61.5-33.8-172.9-43.60000112.9G17G17-T20 VanDerWaalsContact C-OG1 3.3Å; G17-T20 VanDerWaalsContact CA-OG1 3.27Å; G17-T20 WeakPolarHBondContact CA-OG1 3.3Å; G17-T20 PolarHBondContact O-N 3.2Å; G17-T20 VanDerWaalsContact O-N 3.14Å; G17-T20 PolarHBondContact O-OG1 2.82Å
21S86.5Confident89.9Confident72 Ų7263.6 Ų63.650%0.50333%0.334SS..THydrogen-bonded Turntrans-100.64.617859.40000113.7F19F19-S21 VanDerWaalsContact C-N 3.27Å; F19-S21 PolarHBondContact O-N 2.85Å
22T92.8Very high90.2Very high18 Ų1865.7 Ų65.711%0.1135%0.345CS..  trans-87.4120.3-176.9-51.90000110.9F19 P276F19-T22 HydrophobicContact CD1-CG2 4.48Å; F19-T22 PolarHBondContact O-N 3.2Å; F19-T22 VanDerWaalsContact O-N 3.1Å; T22-P276 CarbonylContact C-O 3.58Å; T22-P276 WeakPolarHBondContact CA-O 3.43Å
23R95.2Very high91Very high158 Ų15868.7 Ų68.760%0.59636%0.356SS*.  trans-89.9133174.9-173.4174.3179.4-172.44.5110.8P276 Y277R23-P276 HydrophobicContact CB-CB 3.78Å; R23-P276 PolarHBondContact N-O 3.47Å; R23-Y277 HydrophobicContact CB-CE1 4.17Å; R23-Y277 HydrophobicContact CG-CE1 4.16Å; R23-Y277 PolarHBondContact NH1-OH 2.8Å
24R95.8Very high91.5Very high40 Ų4068.3 Ų68.315%0.15135%0.346CS..  trans-118.6127.7170.6-65.8174.8174.881.4-5.1109.1F7 Y26 R208 D212F7-R24 VanDerWaalsContact CE1-CD 3.43Å; R24-Y26 HydrophobicContact CB-CD2 4.37Å; R24-Y26 HydrophobicContact CB-CE1 4.37Å; R24-Y26 HydrophobicContact CB-CE2 4.13Å; R24-Y26 HydrophobicContact CG-CE2 4.1Å; R24-R208 HydrophobicContact CG-CG 4.45Å; R24-D212 WeakPolarHBondContact CD-OD2 3.47Å; R24-D212 IonicContact CZ-OD1 2.68Å; R24-D212 IonicContact CZ-OD2 3.56Å; R24-D212 IonicContact NE-OD1 3.74Å; R24-D212 PolarHBondContact NE-OD1 3Å; R24-D212 IonicContact NE-OD2 3.48Å; R24-D212 PolarHBondContact NE-OD2 3.28Å; R24-D212 IonicContact NH2-OD1 3.44Å; R24-D212 PolarHBondContact NH2-OD1 3.49Å; R24-D212 IonicContact NH2-OD2 3.09Å
25P95.2Very high91.9Very high89 Ų8971.4 Ų71.458%0.57836%0.355SS*.SBendtrans-82.2-0.317333.1-33.1000113.1T205P25-T205 HydrophobicContact CG-CG2 3.3Å
26Y96.3Very high92.3Very high29 Ų2972.7 Ų72.711%0.11437%0.372CS..SBendtrans-118161.9174.453.8-95.6000109.9F7 R24 V31 T205 R208 L209 D212F7-Y26 HydrophobicContact CE1-CD2 4.37Å; F7-Y26 AromaticContact CE1-CE2 3.94Å; F7-Y26 HydrophobicContact CE1-CE2 3.94Å; F7-Y26 HydrophobicContact CZ-CD2 4.22Å; F7-Y26 HydrophobicContact CZ-CE2 4.15Å; R24-Y26 HydrophobicContact CB-CD2 4.37Å; R24-Y26 HydrophobicContact CB-CE1 4.37Å; R24-Y26 HydrophobicContact CB-CE2 4.13Å; R24-Y26 HydrophobicContact CG-CE2 4.1Å; Y26-V31 HydrophobicContact CD2-CG2 3.96Å; Y26-V31 HydrophobicContact CE2-CG2 3.83Å; Y26-T205 HydrophobicContact CD1-CG2 4.08Å; Y26-T205 HydrophobicContact CE1-CG2 3.87Å; Y26-R208 WeakPolarHBondContact OH-CG 3.5Å; Y26-R208 PolarHBondContact OH-O 3.34Å; Y26-L209 HydrophobicContact CD1-CB 4.41Å; Y26-L209 HydrophobicContact CD1-CD1 4.19Å; Y26-L209 HydrophobicContact CD2-CD1 3.81Å; Y26-L209 HydrophobicContact CE1-CB 3.75Å; Y26-L209 HydrophobicContact CE1-CD1 4.07Å; Y26-L209 HydrophobicContact CE1-CG 4.4Å; Y26-L209 HydrophobicContact CE2-CD1 3.68Å; Y26-L209 HydrophobicContact CG-CD1 4.07Å; Y26-L209 VanDerWaalsContact OH-CA 3.27Å; Y26-L209 WeakPolarHBondContact OH-CA 3.4Å; Y26-L209 PolarHBondContact OH-N 2.93Å; Y26-D212 VanDerWaalsContact CE2-OD2 3.29Å; Y26-D212 WeakPolarHBondContact CE2-OD2 3.49Å; Y26-D212 PolarHBondContact OH-OD2 3.12Å
27N94.4Very high92.8Very high84 Ų8468.6 Ų68.645%0.44937%0.371SS..  trans-103.9175.8-178.665.157.5000111.8Q29 D30N27-Q29 VanDerWaalsContact C-N 3.27Å; N27-Q29 PolarHBondContact O-N 3.48Å; N27-Q29 VanDerWaalsContact OD1-CA 3.32Å; N27-Q29 WeakPolarHBondContact OD1-CA 3.5Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.38Å; N27-Q29 PolarHBondContact OD1-N 3.1Å; N27-D30 VanDerWaalsContact CG-OD2 3.28Å; N27-D30 PolarHBondContact N-OD2 2.99Å; N27-D30 VanDerWaalsContact N-OD2 3.09Å; N27-D30 PolarHBondContact ND2-OD2 2.95Å; N27-D30 VanDerWaalsContact ND2-OD2 3.17Å; N27-D30 PolarHBondContact O-N 3.08Å; N27-D30 PolarHBondContact OD1-N 3.21Å; N27-D30 PolarHBondContact OD1-OD2 3.44Å
28L93.5Very high93.2Very high25 Ų2571.9 Ų71.913%0.13138%0.383CS..Hα-helixtrans-62.2-34.6179.3179.663000112.8K5 F7 I10 D30 V31 L32K5-L28 HydrophobicContact CB-CD2 3.8Å; K5-L28 WeakPolarHBondContact O-CD2 3.21Å; F7-L28 HydrophobicContact CD1-CD1 4.21Å; F7-L28 HydrophobicContact CE1-CD1 4.48Å; F7-L28 HydrophobicContact CE2-CB 4.29Å; F7-L28 HydrophobicContact CG-CD1 4.39Å; F7-L28 HydrophobicContact CZ-CB 4.37Å; I10-L28 HydrophobicContact CD1-CD1 3.35Å; I10-L28 HydrophobicContact CG1-CD1 3.73Å; I10-L28 HydrophobicContact CG2-CD1 4.23Å; L28-D30 VanDerWaalsContact C-N 3.3Å; L28-D30 PolarHBondContact O-N 2.84Å; L28-V31 WeakPolarHBondContact O-CB 3.37Å; L28-V31 PolarHBondContact O-N 3.43Å; L28-L32 HydrophobicContact CD1-CG 4.43Å; L28-L32 HydrophobicContact CG-CD1 4.13Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.14Å
29Q94.4Very high93.2Very high126 Ų12675.8 Ų75.859%0.58940%0.402SS*.Hα-helixtrans-65.7-34.7-178.8-168.662.425.400111.7N27 V31 L32 R33N27-Q29 VanDerWaalsContact C-N 3.27Å; N27-Q29 PolarHBondContact O-N 3.48Å; N27-Q29 VanDerWaalsContact OD1-CA 3.32Å; N27-Q29 WeakPolarHBondContact OD1-CA 3.5Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.38Å; N27-Q29 PolarHBondContact OD1-N 3.1Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-L32 PolarHBondContact O-N 2.97Å; Q29-R33 WeakPolarHBondContact O-CB 3.35Å; Q29-R33 PolarHBondContact O-N 2.88Å
30D96.6Very high93.3Very high45 Ų4579.5 Ų79.524%0.24142%0.421CS..Hα-helixtrans-60.4-45.3172.9-64.2-47.4000111.1N27 L28 R33 L34N27-D30 VanDerWaalsContact CG-OD2 3.28Å; N27-D30 PolarHBondContact N-OD2 2.99Å; N27-D30 VanDerWaalsContact N-OD2 3.09Å; N27-D30 PolarHBondContact ND2-OD2 2.95Å; N27-D30 VanDerWaalsContact ND2-OD2 3.17Å; N27-D30 PolarHBondContact O-N 3.08Å; N27-D30 PolarHBondContact OD1-N 3.21Å; N27-D30 PolarHBondContact OD1-OD2 3.44Å; L28-D30 VanDerWaalsContact C-N 3.3Å; L28-D30 PolarHBondContact O-N 2.84Å; D30-R33 PolarHBondContact O-N 2.92Å; D30-R33 IonicContact OD1-NH2 2.83Å; D30-L34 WeakPolarHBondContact O-CB 3.37Å; D30-L34 VanDerWaalsContact O-CG 3.31Å; D30-L34 WeakPolarHBondContact O-CG 3.36Å; D30-L34 PolarHBondContact O-N 3.47Å
31V96.1Very high93.7Very high0 Ų077.6 Ų77.60%041%0.406CS..Hα-helixtrans-63.4-47.8177.8-178.20000111.4F7 I10 Y26 L28 Q29 R33 L34 R35 L209 D212 V213F7-V31 HydrophobicContact CE1-CG2 3.73Å; I10-V31 HydrophobicContact CD1-CB 4.11Å; I10-V31 HydrophobicContact CD1-CG1 3.49Å; I10-V31 VanDerWaalsContact CD1-CG1 3.49Å; Y26-V31 HydrophobicContact CD2-CG2 3.96Å; Y26-V31 HydrophobicContact CE2-CG2 3.83Å; L28-V31 WeakPolarHBondContact O-CB 3.37Å; L28-V31 PolarHBondContact O-N 3.43Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.89Å; V31-L34 PolarHBondContact O-N 3.46Å; V31-L34 VanDerWaalsContact O-N 3.14Å; V31-R35 WeakPolarHBondContact O-CB 3.24Å; V31-R35 PolarHBondContact O-N 2.83Å; V31-L209 HydrophobicContact CG2-CD1 3.97Å; V31-D212 HydrophobicContact CG1-CB 4.07Å; V31-D212 WeakPolarHBondContact CG1-O 3.41Å; V31-D212 HydrophobicContact CG2-CB 3.98Å; V31-V213 HydrophobicContact CG1-CG2 4.04Å
32L93.4Very high94.2Very high49 Ų4975.7 Ų75.726%0.25739%0.388SS..Hα-helixtrans-59.9-32.9179.1-70.6176.5000112.6I10 L28 Q29 R35I10-L32 HydrophobicContact CG2-CD2 3.9Å; L28-L32 HydrophobicContact CD1-CG 4.43Å; L28-L32 HydrophobicContact CG-CD1 4.13Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.14Å; Q29-L32 PolarHBondContact O-N 2.97Å; L32-R35 VanDerWaalsContact CD2-CZ 3.46Å
33R95.5Very high94.3Very high168 Ų16879.5 Ų79.563%0.63441%0.412SS*.Hα-helixtrans-76.4-34.3177.1-174.8170.858.683.61.6112.8Q29 D30 V31Q29-R33 WeakPolarHBondContact O-CB 3.35Å; Q29-R33 PolarHBondContact O-N 2.88Å; D30-R33 PolarHBondContact O-N 2.92Å; D30-R33 IonicContact OD1-NH2 2.83Å; V31-R33 PolarHBondContact O-N 2.89Å
34L96.8Very high94.4Very high82 Ų8274.6 Ų74.643%0.42940%0.397SS..Hα-helixtrans-88.6-17.2-176-68.4172.9000114.2D30 V31 G36 L209 V213D30-L34 WeakPolarHBondContact O-CB 3.37Å; D30-L34 VanDerWaalsContact O-CG 3.31Å; D30-L34 WeakPolarHBondContact O-CG 3.36Å; D30-L34 PolarHBondContact O-N 3.47Å; V31-L34 PolarHBondContact O-N 3.46Å; V31-L34 VanDerWaalsContact O-N 3.14Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 2.8Å; L34-L209 HydrophobicContact CD1-CD1 4.49Å; L34-L209 HydrophobicContact CD1-CD2 4.2Å; L34-V213 HydrophobicContact CB-CG2 3.98Å
35R93.5Very high94.5Very high95 Ų9572.8 Ų72.836%0.35839%0.39SS..SBendtrans-76.6-5.8-175.774.6-179.5-174.2160.46.9116.6V31 L32 V213V31-R35 WeakPolarHBondContact O-CB 3.24Å; V31-R35 PolarHBondContact O-N 2.83Å; L32-R35 VanDerWaalsContact CD2-CZ 3.46Å; R35-V213 HydrophobicContact CB-CG1 4.04Å; R35-V213 WeakPolarHBondContact CB-O 3.22Å
36G92.4Very high94.6Very high50 Ų5069.2 Ų69.252%0.51537%0.367SS..  trans77.9178.2-171.900000113.6L34L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 2.8Å
37S93.7Very high94.6Very high128 Ų12872.4 Ų72.490%0.89538%0.379SS*.SBendtrans-91.3-13.5-175.555.90000114.3
38V91.8Very high94.8Very high106 Ų10668.7 Ų68.764%0.64236%0.359SS*.SBendtrans-108.8130.1-178.7-179.60000109.1I40V38-I40 PolarHBondContact O-N 2.66Å
39Q86.1Confident95Very high88 Ų8867.5 Ų67.541%0.41135%0.353SS..  trans-79.9114.7173.9-176.76448.300109.4
40I93.5Very high95.1Very high96 Ų9663.1 Ų63.149%0.49234%0.335SS..  trans-97.1139.8172.6-58.8175.7000108.8V38 Y42V38-I40 PolarHBondContact O-N 2.66Å; I40-Y42 HydrophobicContact CB-CE2 4.2Å; I40-Y42 HydrophobicContact CG2-CD1 4.43Å; I40-Y42 HydrophobicContact CG2-CE1 3.78Å; I40-Y42 HydrophobicContact CG2-CE2 4.08Å
41D93.8Very high95.1Very high81 Ų8163 Ų6343%0.43333%0.332SS..  trans-107.4117.4-177.4-71.2-7.7000111.7R12 T43R12-D41 IonicContact CZ-OD1 2.96Å; R12-D41 IonicContact CZ-OD2 2.92Å; R12-D41 IonicContact NE-OD1 2.76Å; R12-D41 IonicContact NH1-OD1 2.95Å; R12-D41 PolarHBondContact NH1-OD1 3.48Å; R12-D41 IonicContact NH1-OD2 3.12Å; R12-D41 PolarHBondContact NH1-OD2 2.84Å; R12-D41 VanDerWaalsContact NH2-CG 3.3Å; R12-D41 IonicContact NH2-OD1 3.4Å; R12-D41 PolarHBondContact NH2-OD1 3.45Å; R12-D41 IonicContact NH2-OD2 3.23Å; R12-D41 PolarHBondContact NH2-OD2 2.74Å; D41-T43 PolarHBondContact O-N 2.68Å
42Y96.9Very high95.2Very high32 Ų3263 Ų6313%0.12533%0.332CS..  trans-101.367178.3-53.5-77.5000110.1I40 L44 S45 T46 I167 E168 C214 V216I40-Y42 HydrophobicContact CB-CE2 4.2Å; I40-Y42 HydrophobicContact CG2-CD1 4.43Å; I40-Y42 HydrophobicContact CG2-CE1 3.78Å; I40-Y42 HydrophobicContact CG2-CE2 4.08Å; Y42-L44 PolarHBondContact O-N 2.85Å; Y42-S45 PolarHBondContact O-N 3.44Å; Y42-T46 WeakPolarHBondContact O-CB 3.36Å; Y42-T46 PolarHBondContact O-N 2.8Å; Y42-T46 PolarHBondContact O-OG1 2.63Å; Y42-I167 HydrophobicContact CD1-CG2 3.97Å; Y42-I167 HydrophobicContact CD2-CG2 4Å; Y42-I167 HydrophobicContact CG-CG2 3.65Å; Y42-E168 HydrophobicContact CD1-CG 4.08Å; Y42-E168 HydrophobicContact CE1-CG 3.51Å; Y42-C214 HydrophobicContact CD2-CB 3.92Å; Y42-C214 WeakPolarHBondContact CD2-O 3.37Å; Y42-C214 HydrophobicContact CE2-CB 3.63Å; Y42-C214 WeakPolarHBondContact CE2-O 3.39Å; Y42-V216 HydrophobicContact CD2-CG2 3.79Å; Y42-V216 HydrophobicContact CG-CG2 4.14Å
43T96.3Very high95.4Very high98 Ų9862.5 Ų62.560%0.60133%0.327SS*.Hα-helixtrans-55.9-47.4-168.8-56.60000113.4D41 T46 R47D41-T43 PolarHBondContact O-N 2.68Å; T43-T46 PolarHBondContact O-N 3.13Å; T43-R47 WeakPolarHBondContact O-CB 3.42Å; T43-R47 PolarHBondContact O-N 2.81Å
44L97.1Very high95.5Very high56 Ų5657.2 Ų57.229%0.29331%0.311SS..Hα-helixtrans-63.7-47.8-178.5-65.5179.2000111.8Y42 S48 N121 L125 L142Y42-L44 PolarHBondContact O-N 2.85Å; L44-S48 WeakPolarHBondContact O-CB 3.32Å; L44-S48 PolarHBondContact O-N 2.95Å; L44-S48 PolarHBondContact O-OG 3.16Å; L44-N121 HydrophobicContact CD1-CB 4.34Å; L44-L125 HydrophobicContact CD1-CD1 3.97Å; L44-L125 HydrophobicContact CD2-CD1 4.49Å; L44-L125 HydrophobicContact CD2-CD2 4.32Å; L44-L142 HydrophobicContact CD2-CD1 4.16Å
45S98.1Very high95.5Very high1 Ų154.2 Ų54.21%0.00730%0.296CS..Hα-helixtrans-65.1-41.9178.8-1750000111.1Y42 S48 S49 I167 A171 V216Y42-S45 PolarHBondContact O-N 3.44Å; S45-S48 PolarHBondContact O-OG 2.99Å; S45-S49 WeakPolarHBondContact O-CB 3.48Å; S45-S49 PolarHBondContact O-N 2.91Å; S45-S49 PolarHBondContact O-OG 3.1Å; S45-I167 VanDerWaalsContact CB-O 3.28Å; S45-I167 WeakPolarHBondContact CB-O 3.39Å; S45-A171 WeakPolarHBondContact CB-O 3.4Å; S45-A171 PolarHBondContact OG-O 2.9Å; S45-V216 WeakPolarHBondContact OG-CG1 3.02Å
46T97.4Very high95.7Very high14 Ų1449.8 Ų49.89%0.08628%0.279CS..Hα-helixtrans-61.2-53177.8-55.60000111.7R12 Y42 T43 S48 S49 V50R12-T46 HydrophobicContact CB-CG2 3.98Å; Y42-T46 WeakPolarHBondContact O-CB 3.36Å; Y42-T46 PolarHBondContact O-N 2.8Å; Y42-T46 PolarHBondContact O-OG1 2.63Å; T43-T46 PolarHBondContact O-N 3.13Å; T46-S48 PolarHBondContact O-N 3.23Å; T46-S49 PolarHBondContact O-N 3.05Å; T46-V50 WeakPolarHBondContact O-CG2 3.44Å; T46-V50 PolarHBondContact O-N 2.88Å
47R96.3Very high95.8Very high97 Ų9751.7 Ų51.737%0.36628%0.277SS..Hα-helixtrans-60.6-47.5-179.8178.5-175.8167.8-77.76.1111.5T43 V50 K51 D140 L142T43-R47 WeakPolarHBondContact O-CB 3.42Å; T43-R47 PolarHBondContact O-N 2.81Å; R47-V50 PolarHBondContact O-N 3.14Å; R47-K51 WeakPolarHBondContact O-CB 3.31Å; R47-K51 PolarHBondContact O-N 3.21Å; R47-D140 IonicContact CZ-OD1 3.32Å; R47-D140 IonicContact CZ-OD2 3.6Å; R47-D140 IonicContact NH1-OD1 2.69Å; R47-D140 IonicContact NH2-OD1 3.2Å; R47-D140 PolarHBondContact NH2-OD1 3.28Å; R47-D140 IonicContact NH2-OD2 2.84Å; R47-D140 PolarHBondContact NH2-OD2 3.04Å; R47-L142 PolarHBondContact NH1-O 3.49Å; R47-L142 VanDerWaalsContact NH1-O 3.14Å
48S97.5Very high95.9Very high5 Ų552.9 Ų52.94%0.03527%0.266CS..Hα-helixtrans-69.9-35.6-176.464.30000112.4L44 S45 T46 K51 L52 A172L44-S48 WeakPolarHBondContact O-CB 3.32Å; L44-S48 PolarHBondContact O-N 2.95Å; L44-S48 PolarHBondContact O-OG 3.16Å; S45-S48 PolarHBondContact O-OG 2.99Å; T46-S48 PolarHBondContact O-N 3.23Å; S48-K51 PolarHBondContact O-N 2.83Å; S48-L52 WeakPolarHBondContact O-CB 3.4Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-A172 WeakPolarHBondContact O-CB 3.22Å; S48-A172 WeakPolarHBondContact OG-CB 3.42Å
49S98Very high96.2Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-63.8-42.2174.9-59.50000112.2S45 T46 L52 W53 A172 V218S45-S49 WeakPolarHBondContact O-CB 3.48Å; S45-S49 PolarHBondContact O-N 2.91Å; S45-S49 PolarHBondContact O-OG 3.1Å; T46-S49 PolarHBondContact O-N 3.05Å; S49-L52 PolarHBondContact O-N 2.9Å; S49-W53 WeakPolarHBondContact O-CB 3.46Å; S49-W53 PolarHBondContact O-N 3.46Å; S49-A172 PolarHBondContact OG-O 3.42Å; S49-V218 WeakPolarHBondContact OG-CA 3.27Å
50V96.9Very high96.6Very high34 Ų3451.4 Ų51.421%0.20625%0.252CS..Hα-helixtrans-64.1-46.4175173.20000110.5S13 P15 T46 R47 L52 W53 D54 P217S13-V50 WeakPolarHBondContact O-CG2 3.44Å; P15-V50 HydrophobicContact CG-CG1 4.25Å; T46-V50 WeakPolarHBondContact O-CG2 3.44Å; T46-V50 PolarHBondContact O-N 2.88Å; R47-V50 PolarHBondContact O-N 3.14Å; V50-L52 PolarHBondContact O-N 3.13Å; V50-W53 PolarHBondContact O-N 3.27Å; V50-D54 PolarHBondContact O-N 3.34Å; V50-P217 HydrophobicContact CG2-CG 3.97Å
51K97Very high96.9Very high42 Ų4249.5 Ų49.518%0.18324%0.239CC..Hα-helixtrans-60-45.1176.7179.4176.3170.2-175.10112.1R47 S48 W53 D54 L55 D140 L142R47-K51 WeakPolarHBondContact O-CB 3.31Å; R47-K51 PolarHBondContact O-N 3.21Å; S48-K51 PolarHBondContact O-N 2.83Å; K51-W53 VanDerWaalsContact C-N 3.33Å; K51-W53 PolarHBondContact O-N 2.91Å; K51-D54 PolarHBondContact O-N 2.85Å; K51-L55 HydrophobicContact CG-CD1 4.21Å; K51-L55 WeakPolarHBondContact O-CG 3.42Å; K51-L55 PolarHBondContact O-N 3.44Å; K51-D140 WeakPolarHBondContact CE-OD2 3.36Å; K51-D140 IonicContact NZ-OD1 3.48Å; K51-D140 IonicContact NZ-OD2 2.69Å; K51-D140 PolarHBondContact NZ-OD2 3.14Å; K51-L142 PolarHBondContact NZ-O 3.28Å; K51-L142 VanDerWaalsContact NZ-O 3.13Å
52L98.2Very high97.1Very high1 Ų145.7 Ų45.71%0.00522%0.219CC..Hα-helixtrans-59.3-46.8176.3-179.258.2000110.8S48 S49 V50 D54 L55 L56 P144 V146 A172 V219 Y342S48-L52 WeakPolarHBondContact O-CB 3.4Å; S48-L52 PolarHBondContact O-N 3.1Å; S49-L52 PolarHBondContact O-N 2.9Å; V50-L52 PolarHBondContact O-N 3.13Å; L52-D54 VanDerWaalsContact C-N 3.31Å; L52-D54 PolarHBondContact O-N 3.11Å; L52-L55 PolarHBondContact O-N 3.4Å; L52-L56 HydrophobicContact CD1-CD1 4.1Å; L52-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.09Å; L52-L56 HydrophobicContact CG-CD1 3.86Å; L52-L56 HydrophobicContact CG-CG 4.33Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.48Å; L52-P144 HydrophobicContact CB-CB 3.68Å; L52-P144 HydrophobicContact CB-CG 4.16Å; L52-P144 HydrophobicContact CD1-CB 4.2Å; L52-P144 HydrophobicContact CD1-CG 4.19Å; L52-P144 HydrophobicContact CG-CB 4.35Å; L52-V146 HydrophobicContact CD1-CG2 4.22Å; L52-V146 HydrophobicContact CD2-CG2 3.58Å; L52-A172 HydrophobicContact CB-CB 4.09Å; L52-A172 HydrophobicContact CD2-CB 3.92Å; L52-V219 HydrophobicContact CD2-CB 3.98Å; L52-V219 HydrophobicContact CD2-CG1 4.44Å; L52-V219 HydrophobicContact CD2-CG2 3.88Å; L52-V219 HydrophobicContact CG-CG2 4.25Å; L52-Y342 HydrophobicContact CD1-CD2 4.4Å; L52-Y342 HydrophobicContact CD1-CE2 4.36Å
53W97.2Very high97.2Very high38 Ų3846.2 Ų46.214%0.14423%0.226CC..Hα-helixtrans-59.3-43.9178.4-169.3-101.9000112.1P15 R18 S49 V50 K51 L56 N57 V219 D279 L308P15-W53 HydrophobicContact CG-CB 4.46Å; P15-W53 HydrophobicContact CG-CG 4.3Å; R18-W53 VanDerWaalsContact NE-CD2 3.34Å; R18-W53 VanDerWaalsContact NE-CE3 3.27Å; S49-W53 WeakPolarHBondContact O-CB 3.46Å; S49-W53 PolarHBondContact O-N 3.46Å; V50-W53 PolarHBondContact O-N 3.27Å; K51-W53 VanDerWaalsContact C-N 3.33Å; K51-W53 PolarHBondContact O-N 2.91Å; W53-L56 PolarHBondContact O-N 3.42Å; W53-N57 PolarHBondContact NE1-ND2 3.35Å; W53-N57 PolarHBondContact O-N 3.28Å; W53-N57 PolarHBondContact O-ND2 3.48Å; W53-V219 HydrophobicContact CE3-CG2 4.13Å; W53-D279 HydrophobicContact CZ3-CB 4Å; W53-L308 HydrophobicContact CH2-CD1 4.34Å; W53-L308 HydrophobicContact CZ3-CD1 4.34Å
54D96.7Very high97.3Very high57 Ų5741.7 Ų41.731%0.30520%0.199SC..Hα-helixtrans-60.5-46.6176.2-94.228.2000112.1V50 K51 L52 L56 N57 K58V50-D54 PolarHBondContact O-N 3.34Å; K51-D54 PolarHBondContact O-N 2.85Å; L52-D54 VanDerWaalsContact C-N 3.31Å; L52-D54 PolarHBondContact O-N 3.11Å; D54-L56 PolarHBondContact O-N 2.95Å; D54-N57 PolarHBondContact O-N 3.29Å; D54-K58 WeakPolarHBondContact O-CB 3.35Å; D54-K58 WeakPolarHBondContact O-CG 3.42Å; D54-K58 PolarHBondContact O-N 2.95Å; D54-K58 IonicContact OD2-NZ 3.06Å; D54-K58 PolarHBondContact OD2-NZ 3.41Å
55L97.8Very high97.4Very high20 Ų2041.9 Ų41.911%0.10520%0.2CC..Hα-helixtrans-60-46.1177.6-71.7169.9000111.7K51 L52 N57 K58 E59 V62 K82 P144K51-L55 HydrophobicContact CG-CD1 4.21Å; K51-L55 WeakPolarHBondContact O-CG 3.42Å; K51-L55 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.4Å; L55-N57 PolarHBondContact O-N 3.45Å; L55-K58 PolarHBondContact O-N 3.03Å; L55-E59 HydrophobicContact CB-CG 4.36Å; L55-E59 HydrophobicContact CD2-CG 3.88Å; L55-E59 VanDerWaalsContact O-CB 3.31Å; L55-E59 WeakPolarHBondContact O-CB 3.38Å; L55-E59 WeakPolarHBondContact O-CG 3.34Å; L55-E59 PolarHBondContact O-N 3.1Å; L55-V62 HydrophobicContact CB-CG2 3.73Å; L55-K82 HydrophobicContact CD1-CB 4.09Å; L55-K82 WeakPolarHBondContact CD1-O 3.38Å; L55-K82 HydrophobicContact CD2-CB 4.32Å; L55-K82 HydrophobicContact CD2-CD 3.81Å; L55-P144 HydrophobicContact CD1-CG 3.97Å
56L97.2Very high97.4Very high2 Ų241.9 Ų41.91%0.0120%0.2CC..Hα-helixtrans-62.1-27.1-179.4-68.6169.6000113.5L52 W53 D54 V62 L280 L308 K341 Y342L52-L56 HydrophobicContact CD1-CD1 4.1Å; L52-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.09Å; L52-L56 HydrophobicContact CG-CD1 3.86Å; L52-L56 HydrophobicContact CG-CG 4.33Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.48Å; W53-L56 PolarHBondContact O-N 3.42Å; D54-L56 PolarHBondContact O-N 2.95Å; L56-V62 HydrophobicContact CD2-CG2 4.17Å; L56-L280 HydrophobicContact CD1-CD1 3.91Å; L56-L280 HydrophobicContact CD1-CD2 4.32Å; L56-L280 HydrophobicContact CD2-CD2 4.23Å; L56-L308 HydrophobicContact CB-CD1 4.08Å; L56-K341 HydrophobicContact CD2-CB 3.95Å; L56-K341 WeakPolarHBondContact O-CG 3.35Å; L56-Y342 HydrophobicContact CD2-CD2 4.16Å; L56-Y342 HydrophobicContact CD2-CG 4.45Å
57N95.1Very high97.4Very high89 Ų8941.2 Ų41.248%0.47620%0.196SC..Hα-helixtrans-94.2-24.4179.6-74.6-85.7000113.4W53 D54 L55W53-N57 PolarHBondContact NE1-ND2 3.35Å; W53-N57 PolarHBondContact O-N 3.28Å; W53-N57 PolarHBondContact O-ND2 3.48Å; D54-N57 PolarHBondContact O-N 3.29Å; L55-N57 PolarHBondContact O-N 3.45Å
58K95.7Very high97.5Very high154 Ų15436.6 Ų36.667%0.6718%0.179SC*.Hα-helixtrans-100.5-34.7-175.1-68.7171.3-180167.70113.6D54 L55D54-K58 WeakPolarHBondContact O-CB 3.35Å; D54-K58 WeakPolarHBondContact O-CG 3.42Å; D54-K58 PolarHBondContact O-N 2.95Å; D54-K58 IonicContact OD2-NZ 3.06Å; D54-K58 PolarHBondContact OD2-NZ 3.41Å; L55-K58 PolarHBondContact O-N 3.03Å
59E96.8Very high97.5Very high63 Ų6338.5 Ų38.529%0.29419%0.19SC..SBendtrans-83.7156.4-178.1-54.5-70.2158.800111.1L55 Y61 V62 K82 K341L55-E59 HydrophobicContact CB-CG 4.36Å; L55-E59 HydrophobicContact CD2-CG 3.88Å; L55-E59 VanDerWaalsContact O-CB 3.31Å; L55-E59 WeakPolarHBondContact O-CB 3.38Å; L55-E59 WeakPolarHBondContact O-CG 3.34Å; L55-E59 PolarHBondContact O-N 3.1Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-V62 HydrophobicContact CB-CG2 4.25Å; E59-V62 HydrophobicContact CG-CG2 4.38Å; E59-K82 IonicContact OE1-NZ 3.87Å; E59-K82 PolarHBondContact OE1-NZ 3.41Å; E59-K82 IonicContact OE2-NZ 3.55Å; E59-K82 PolarHBondContact OE2-NZ 3.2Å; E59-K341 PolarHBondContact O-NZ 3.16Å
60E95.8Very high97.6Very high99 Ų9938.9 Ų38.946%0.46319%0.194SC..SBendtrans-58.6-48.8171.7-170.9-176.6174.700109.9K341E60-K341 VanDerWaalsContact O-CD 3.22Å; E60-K341 WeakPolarHBondContact O-CD 3.08Å; E60-K341 PolarHBondContact O-NZ 2.99Å
61Y98.3Very high97.6Very high56 Ų5641.6 Ų41.622%0.2221%0.207CC..  trans-156.4162.1167.261.9-81.7000109.3E59 P63 Q332 Q343E59-Y61 VanDerWaalsContact C-N 3.31Å; Y61-P63 HydrophobicContact CD2-CB 4.29Å; Y61-P63 HydrophobicContact CD2-CG 4.35Å; Y61-P63 HydrophobicContact CE2-CB 4.01Å; Y61-P63 HydrophobicContact CE2-CG 4.02Å; Y61-P63 WeakPolarHBondContact O-CD 3.37Å; Y61-Q332 HydrophobicContact CD2-CB 4.46Å; Y61-Q332 HydrophobicContact CE2-CB 3.78Å; Y61-Q343 HydrophobicContact CD2-CB 4.49Å; Y61-Q343 HydrophobicContact CD2-CG 4.39Å
62V98.6Very high97.7Very high2 Ų241 Ų411%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-110.5102.7177.4-175.30000108.4L55 L56 E59 K341 Y342 Q343L55-V62 HydrophobicContact CB-CG2 3.73Å; L56-V62 HydrophobicContact CD2-CG2 4.17Å; E59-V62 HydrophobicContact CB-CG2 4.25Å; E59-V62 HydrophobicContact CG-CG2 4.38Å; V62-K341 PolarHBondContact N-O 2.96Å; V62-Y342 HydrophobicContact CB-CD2 4.13Å; V62-Y342 HydrophobicContact CG1-CD2 4.27Å; V62-Y342 HydrophobicContact CG1-CE2 4.25Å; V62-Q343 PolarHBondContact O-N 3.47Å
63P98.4Very high97.7Very high42 Ų4241 Ų4127%0.27321%0.205SC..EExtended strand (participates in β ladder)trans-78144.4174.430.3-32.2000111.4Y61 Q343Y61-P63 HydrophobicContact CD2-CB 4.29Å; Y61-P63 HydrophobicContact CD2-CG 4.35Å; Y61-P63 HydrophobicContact CE2-CB 4.01Å; Y61-P63 HydrophobicContact CE2-CG 4.02Å; Y61-P63 WeakPolarHBondContact O-CD 3.37Å; P63-Q343 CarbonylContact C-O 3.4Å; P63-Q343 VanDerWaalsContact CA-O 3.25Å; P63-Q343 WeakPolarHBondContact CA-O 3.2Å
64A98.7Very high97.8Very high3 Ų339.4 Ų39.43%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-142.6155.517400000112Y342 Q343 F344 V345A64-Y342 HydrophobicContact CB-CE2 4.28Å; A64-Y342 VanDerWaalsContact CB-OH 3.29Å; A64-Y342 WeakPolarHBondContact CB-OH 3.47Å; A64-Q343 PolarHBondContact N-O 3.39Å; A64-F344 HydrophobicContact CB-CB 4.24Å; A64-F344 VanDerWaalsContact O-CA 3.22Å; A64-F344 WeakPolarHBondContact O-CA 3.22Å; A64-V345 PolarHBondContact O-N 2.94Å
65L98.8Very high97.8Very high61 Ų6139 Ų3932%0.31920%0.196SC..EExtended strand (participates in β ladder)trans-114.3146.6172.2-62.4-179.5000109.5A67 M76 L81 Y85 V345 A348L65-A67 PolarHBondContact O-N 2.92Å; L65-M76 HydrophobicContact CB-CE 3.55Å; L65-M76 HydrophobicContact CB-SD 3.89Å; L65-M76 HydrophobicContact CD1-CE 4.47Å; L65-L81 HydrophobicContact CB-CD1 4.34Å; L65-L81 HydrophobicContact CD1-CD1 3.95Å; L65-L81 HydrophobicContact CG-CD1 3.86Å; L65-Y85 PolarHBondContact O-N 3.46Å; L65-Y85 VanDerWaalsContact O-N 3.07Å; L65-V345 HydrophobicContact CD2-CB 3.73Å; L65-V345 HydrophobicContact CD2-CG2 3.88Å; L65-A348 HydrophobicContact CB-CB 3.92Å; L65-A348 HydrophobicContact CD2-CB 3.88Å; L65-A348 HydrophobicContact CG-CB 4.33Å
66G98.7Very high97.8Very high0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-69112.4174.700000112Y85 Q90 V345 G349G66-Y85 CarbonylContact C-O 3.37Å; G66-Y85 VanDerWaalsContact CA-O 3.29Å; G66-Y85 WeakPolarHBondContact CA-O 3.33Å; G66-Q90 PolarHBondContact O-NE2 3.47Å; G66-Q90 PolarHBondContact O-OE1 2.9Å; G66-V345 PolarHBondContact N-O 2.81Å; G66-G349 VanDerWaalsContact O-CA 3.26Å; G66-G349 WeakPolarHBondContact O-CA 3.49Å; G66-G349 PolarHBondContact O-N 2.94Å
67A98.7Very high97.8Very high0 Ų039.2 Ų39.20%020%0.198CC..  trans-91.8131.5174.600000111.4L65 Q72 A73 M76 I84 Y85 Q90 L120L65-A67 PolarHBondContact O-N 2.92Å; A67-Q72 HydrophobicContact CB-CB 4.27Å; A67-A73 HydrophobicContact CB-CB 4.18Å; A67-M76 HydrophobicContact CB-CE 4.04Å; A67-M76 HydrophobicContact CB-SD 4.01Å; A67-I84 HydrophobicContact CB-CG2 3.69Å; A67-Y85 PolarHBondContact N-O 2.96Å; A67-Q90 VanDerWaalsContact C-NE2 3.28Å; A67-Q90 PolarHBondContact O-NE2 3.06Å; A67-L120 HydrophobicContact CB-CD1 4.17Å; A67-L120 HydrophobicContact CB-CD2 4.26Å
68I97.7Very high97.9Very high1 Ų136 Ų361%0.00518%0.179CC..SBendtrans-103-14.3173.1-157170.5000112.5Q90 D94 N95 L116I68-Q90 HydrophobicContact CB-CB 4.23Å; I68-Q90 HydrophobicContact CD1-CB 3.82Å; I68-Q90 VanDerWaalsContact CD1-O 3.27Å; I68-Q90 WeakPolarHBondContact CD1-O 3.19Å; I68-Q90 HydrophobicContact CG1-CB 3.9Å; I68-D94 HydrophobicContact CD1-CB 3.61Å; I68-N95 HydrophobicContact CG1-CB 4Å; I68-N95 PolarHBondContact O-ND2 3.02Å; I68-L116 WeakPolarHBondContact O-CD1 3.41Å
69T98.3Very high97.9Very high44 Ų4433 Ų3327%0.2718%0.183SC..SBendtrans-136.5160.3176.974.70000111.8N71 Q72 A73 L120T69-N71 VanDerWaalsContact C-N 3.33Å; T69-N71 PolarHBondContact O-N 3.45Å; T69-Q72 PolarHBondContact O-N 3.47Å; T69-Q72 PolarHBondContact OG1-N 3.25Å; T69-A73 PolarHBondContact O-N 3.42Å; T69-L120 WeakPolarHBondContact O-CD2 3.26Å
70G98.5Very high97.9Very high9 Ų932.6 Ų32.69%0.09320%0.196CC..Hα-helixtrans-61.3-37.817500000113.3A73 L74 T123G70-A73 WeakPolarHBondContact O-CB 3.47Å; G70-A73 PolarHBondContact O-N 3.47Å; G70-L74 PolarHBondContact O-N 3.38Å; G70-T123 WeakPolarHBondContact CA-OG1 3.4Å; G70-T123 WeakPolarHBondContact O-CG2 3.48Å
71N98.4Very high98Very high90 Ų9030 Ų3048%0.48119%0.185SC..Hα-helixtrans-68.9-34.3177.9-65.8130.7000112.3T69 A73 L74 Q75T69-N71 VanDerWaalsContact C-N 3.33Å; T69-N71 PolarHBondContact O-N 3.45Å; N71-A73 VanDerWaalsContact C-N 3.34Å; N71-A73 PolarHBondContact O-N 3.13Å; N71-L74 WeakPolarHBondContact O-CB 2.98Å; N71-L74 PolarHBondContact O-N 2.96Å; N71-Q75 WeakPolarHBondContact O-CG 3.46Å; N71-Q75 PolarHBondContact O-N 2.94Å
72Q98.4Very high98Very high31 Ų3131.6 Ų31.615%0.14519%0.193CC..Hα-helixtrans-60.3-46.2171.3-77.3-175.2-10.600111.2A67 T69 L74 Q75 M76 G349A67-Q72 HydrophobicContact CB-CB 4.27Å; T69-Q72 PolarHBondContact O-N 3.47Å; T69-Q72 PolarHBondContact OG1-N 3.25Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.14Å; Q72-Q75 PolarHBondContact O-N 3.04Å; Q72-M76 HydrophobicContact CB-CE 4.23Å; Q72-M76 WeakPolarHBondContact O-CB 3.23Å; Q72-M76 WeakPolarHBondContact O-CG 3.31Å; Q72-M76 PolarHBondContact O-N 2.75Å; Q72-G349 PolarHBondContact NE2-O 2.72Å; Q72-G349 VanDerWaalsContact OE1-CA 3.26Å
73A98.5Very high98Very high0 Ų031.5 Ų31.50%019%0.192CC..Hα-helixtrans-59-41.4174.500000112.6A67 T69 G70 N71 M76 A77 I84 L120 L124A67-A73 HydrophobicContact CB-CB 4.18Å; T69-A73 PolarHBondContact O-N 3.42Å; G70-A73 WeakPolarHBondContact O-CB 3.47Å; G70-A73 PolarHBondContact O-N 3.47Å; N71-A73 VanDerWaalsContact C-N 3.34Å; N71-A73 PolarHBondContact O-N 3.13Å; A73-M76 PolarHBondContact O-N 3.31Å; A73-A77 PolarHBondContact O-N 2.77Å; A73-I84 HydrophobicContact CB-CD1 3.58Å; A73-I84 HydrophobicContact CB-CG1 4.38Å; A73-L120 HydrophobicContact CB-CB 4.31Å; A73-L120 HydrophobicContact CB-CD2 3.96Å; A73-L120 HydrophobicContact CB-CG 4.49Å; A73-L124 HydrophobicContact CB-CD2 4.46Å
74L97.9Very high98Very high4 Ų429.5 Ų29.52%0.02118%0.179CC..Hα-helixtrans-60.2-51.2175.2-173160.3000111.1G70 N71 Q72 M76 A77 R78 T123 A127 W141 E395G70-L74 PolarHBondContact O-N 3.38Å; N71-L74 WeakPolarHBondContact O-CB 2.98Å; N71-L74 PolarHBondContact O-N 2.96Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.14Å; L74-M76 VanDerWaalsContact C-N 3.32Å; L74-M76 PolarHBondContact O-N 3.04Å; L74-A77 WeakPolarHBondContact O-CB 3.5Å; L74-A77 PolarHBondContact O-N 2.99Å; L74-A77 VanDerWaalsContact O-N 3.14Å; L74-R78 WeakPolarHBondContact O-CB 3.42Å; L74-R78 PolarHBondContact O-N 3.42Å; L74-T123 HydrophobicContact CB-CG2 4.06Å; L74-T123 HydrophobicContact CD1-CG2 3.9Å; L74-A127 HydrophobicContact CD1-CB 3.84Å; L74-A127 HydrophobicContact CG-CB 4.19Å; L74-W141 HydrophobicContact CD2-CH2 4.32Å; L74-W141 HydrophobicContact CD2-CZ3 4.1Å; L74-W141 HydrophobicContact CG-CH2 4.48Å; L74-W141 HydrophobicContact CG-CZ3 3.89Å; L74-E395 WeakPolarHBondContact CD2-OE1 3.32Å
75Q98.1Very high98Very high48 Ų4829.5 Ų29.522%0.22418%0.178CC..Hα-helixtrans-67.5-33.4-178.5-60.1-49.1-26.700112.1N71 Q72 A77 R78 A79 E395N71-Q75 WeakPolarHBondContact O-CG 3.46Å; N71-Q75 PolarHBondContact O-N 2.94Å; Q72-Q75 PolarHBondContact O-N 3.04Å; Q75-A77 VanDerWaalsContact C-N 3.34Å; Q75-A77 PolarHBondContact O-N 3.08Å; Q75-R78 PolarHBondContact O-N 2.99Å; Q75-A79 VanDerWaalsContact O-CB 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.41Å; Q75-A79 PolarHBondContact O-N 3.37Å; Q75-E395 PolarHBondContact NE2-OE1 3.31Å
76M98.1Very high98Very high20 Ų2026.6 Ų26.610%0.09916%0.163CC..Hα-helixtrans-59.3-44.1170.5-73.7170.6-168.500111.8L65 A67 Q72 A73 L74 G80 L81L65-M76 HydrophobicContact CB-CE 3.55Å; L65-M76 HydrophobicContact CB-SD 3.89Å; L65-M76 HydrophobicContact CD1-CE 4.47Å; A67-M76 HydrophobicContact CB-CE 4.04Å; A67-M76 HydrophobicContact CB-SD 4.01Å; Q72-M76 HydrophobicContact CB-CE 4.23Å; Q72-M76 WeakPolarHBondContact O-CB 3.23Å; Q72-M76 WeakPolarHBondContact O-CG 3.31Å; Q72-M76 PolarHBondContact O-N 2.75Å; A73-M76 PolarHBondContact O-N 3.31Å; L74-M76 VanDerWaalsContact C-N 3.32Å; L74-M76 PolarHBondContact O-N 3.04Å; M76-G80 PolarHBondContact O-N 3.14Å; M76-L81 HydrophobicContact CB-CD1 4Å; M76-L81 HydrophobicContact CG-CD1 4.06Å; M76-L81 WeakPolarHBondContact O-CB 3.5Å; M76-L81 PolarHBondContact O-N 3.49Å
77A97.2Very high98Very high8 Ų826.7 Ų26.77%0.06616%0.164CC..Hα-helixtrans-67.7-41.1175.600000112.3A73 L74 Q75 A79 G80 L124 W141 L143A73-A77 PolarHBondContact O-N 2.77Å; L74-A77 WeakPolarHBondContact O-CB 3.5Å; L74-A77 PolarHBondContact O-N 2.99Å; L74-A77 VanDerWaalsContact O-N 3.14Å; Q75-A77 VanDerWaalsContact C-N 3.34Å; Q75-A77 PolarHBondContact O-N 3.08Å; A77-A79 VanDerWaalsContact C-N 3.35Å; A77-A79 PolarHBondContact O-N 2.98Å; A77-G80 PolarHBondContact O-N 3.08Å; A77-G80 VanDerWaalsContact O-N 3.09Å; A77-L124 HydrophobicContact CB-CD2 4.1Å; A77-W141 HydrophobicContact CB-CE3 4.03Å; A77-W141 HydrophobicContact CB-CZ3 4.13Å; A77-L143 HydrophobicContact CB-CD1 3.55Å; A77-L143 HydrophobicContact CB-CG 3.92Å
78R96.1Very high97.9Very high22 Ų2226.7 Ų26.78%0.08316%0.164CC..Hα-helixtrans-61.4-42.9178-170.4175.7-64.4-71.97.4111.8L74 Q75 G80 E131 R139 W141 G386 T388 E395L74-R78 WeakPolarHBondContact O-CB 3.42Å; L74-R78 PolarHBondContact O-N 3.42Å; Q75-R78 PolarHBondContact O-N 2.99Å; R78-G80 PolarHBondContact O-N 2.67Å; R78-E131 IonicContact NH1-OE1 3.59Å; R78-R139 PolarHBondContact O-NH1 3.06Å; R78-W141 HydrophobicContact CB-CH2 4.13Å; R78-W141 HydrophobicContact CB-CZ3 4.34Å; R78-W141 HydrophobicContact CG-CH2 4.45Å; R78-W141 VanDerWaalsContact CZ-CH2 3.48Å; R78-G386 VanDerWaalsContact CD-O 3.28Å; R78-G386 WeakPolarHBondContact CD-O 3.44Å; R78-T388 PolarHBondContact NE-OG1 3.48Å; R78-T388 PolarHBondContact NH1-OG1 2.71Å; R78-T388 PolarHBondContact NH2-OG1 3.48Å; R78-T388 VanDerWaalsContact NH2-OG1 3.1Å; R78-E395 IonicContact CZ-OE1 3.38Å; R78-E395 IonicContact CZ-OE2 2.71Å; R78-E395 IonicContact NE-OE1 2.7Å; R78-E395 PolarHBondContact NE-OE1 3.08Å; R78-E395 VanDerWaalsContact NH2-CD 3.34Å; R78-E395 IonicContact NH2-OE1 2.7Å; R78-E395 PolarHBondContact NH2-OE1 2.88Å; R78-E395 IonicContact NH2-OE2 3.41Å; R78-E395 PolarHBondContact NH2-OE2 3.42Å; R78-E395 VanDerWaalsContact NH2-OE2 3.09Å
79A96.6Very high97.9Very high90 Ų9029.4 Ų29.474%0.74417%0.174SC*.THydrogen-bonded Turntrans-71-6.3176.700000114.1Q75 A77Q75-A79 VanDerWaalsContact O-CB 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.41Å; Q75-A79 PolarHBondContact O-N 3.37Å; A77-A79 VanDerWaalsContact C-N 3.35Å; A77-A79 PolarHBondContact O-N 2.98Å
80G96.3Very high97.9Very high55 Ų5527.3 Ų27.357%0.56716%0.161SC*.THydrogen-bonded Turntrans98.311.4172.600000116.1M76 A77 R78M76-G80 PolarHBondContact O-N 3.14Å; A77-G80 PolarHBondContact O-N 3.08Å; A77-G80 VanDerWaalsContact O-N 3.09Å; R78-G80 PolarHBondContact O-N 2.67Å
81L97.6Very high97.9Very high45 Ų4526.9 Ų26.924%0.23616%0.157CC..  trans-65147.7169.7-66.4-178.6000110.8L65 M76 L143L65-L81 HydrophobicContact CB-CD1 4.34Å; L65-L81 HydrophobicContact CD1-CD1 3.95Å; L65-L81 HydrophobicContact CG-CD1 3.86Å; M76-L81 HydrophobicContact CB-CD1 4Å; M76-L81 HydrophobicContact CG-CD1 4.06Å; M76-L81 WeakPolarHBondContact O-CB 3.5Å; M76-L81 PolarHBondContact O-N 3.49Å; L81-L143 WeakPolarHBondContact O-CD1 3.44Å
82K97.8Very high97.9Very high89 Ų8922.6 Ų22.639%0.38713%0.134SC..SBendtrans-100.1-5.9-175.8-63.2-176.9-178.21750113.9L55 E59 P144L55-K82 HydrophobicContact CD1-CB 4.09Å; L55-K82 WeakPolarHBondContact CD1-O 3.38Å; L55-K82 HydrophobicContact CD2-CB 4.32Å; L55-K82 HydrophobicContact CD2-CD 3.81Å; E59-K82 IonicContact OE1-NZ 3.87Å; E59-K82 PolarHBondContact OE1-NZ 3.41Å; E59-K82 IonicContact OE2-NZ 3.55Å; E59-K82 PolarHBondContact OE2-NZ 3.2Å; K82-P144 VanDerWaalsContact O-CD 3.23Å; K82-P144 WeakPolarHBondContact O-CD 3.29Å; K82-P144 WeakPolarHBondContact O-CG 3.39Å
83S98.6Very high97.9Very high0 Ų021.4 Ų21.40%013%0.13CC..  trans-155.2159.2178.7-177.70000110.8P144 Y342S83-P144 WeakPolarHBondContact CA-O 3.4Å; S83-P144 PolarHBondContact OG-O 2.63Å; S83-Y342 WeakPolarHBondContact OG-CE2 3.43Å; S83-Y342 PolarHBondContact OG-OH 3.19Å
84I98.9Very high97.9Very high0 Ų026.4 Ų26.40%016%0.156CC..EExtended strand (participates in β ladder)trans-120.3139.3175.6-64.4154.9000108.6A67 A73 L120 L124 L143 P144 I145 V146 Y342A67-I84 HydrophobicContact CB-CG2 3.69Å; A73-I84 HydrophobicContact CB-CD1 3.58Å; A73-I84 HydrophobicContact CB-CG1 4.38Å; I84-L120 HydrophobicContact CG2-CD1 4.04Å; I84-L124 HydrophobicContact CD1-CD1 3.72Å; I84-L143 HydrophobicContact CD1-CB 4.04Å; I84-L143 HydrophobicContact CD1-CD1 4.17Å; I84-L143 HydrophobicContact CG1-CB 4.41Å; I84-L143 HydrophobicContact CG1-CD1 4.13Å; I84-P144 PolarHBondContact N-O 3.02Å; I84-I145 HydrophobicContact CB-CG1 4.23Å; I84-I145 HydrophobicContact CD1-CG1 4.42Å; I84-I145 WeakPolarHBondContact O-CA 3.41Å; I84-V146 PolarHBondContact O-N 3.11Å; I84-Y342 PolarHBondContact O-OH 2.91Å
85Y98.9Very high97.8Very high2 Ų227.8 Ų27.81%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-98.4139.3168.8-179.9-110.7000109.8L65 G66 A67 V146 H175 Y342 F344 T346L65-Y85 PolarHBondContact O-N 3.46Å; L65-Y85 VanDerWaalsContact O-N 3.07Å; G66-Y85 CarbonylContact C-O 3.37Å; G66-Y85 VanDerWaalsContact CA-O 3.29Å; G66-Y85 WeakPolarHBondContact CA-O 3.33Å; A67-Y85 PolarHBondContact N-O 2.96Å; Y85-V146 WeakPolarHBondContact CA-O 3.46Å; Y85-V146 WeakPolarHBondContact CD2-O 3.27Å; Y85-H175 AromaticContact CE2-CD2 3.85Å; Y85-H175 AromaticContact CE2-NE2 3.62Å; Y85-H175 AromaticContact CZ-NE2 3.66Å; Y85-H175 PolarHBondContact OH-NE2 3.44Å; Y85-Y342 HydrophobicContact CD2-CE1 4.46Å; Y85-F344 AromaticContact CD1-CD2 3.9Å; Y85-F344 HydrophobicContact CD1-CD2 3.9Å; Y85-F344 HydrophobicContact CD2-CB 4.39Å; Y85-F344 AromaticContact CD2-CD2 3.82Å; Y85-F344 HydrophobicContact CD2-CD2 3.82Å; Y85-F344 HydrophobicContact CD2-CE2 4.29Å; Y85-F344 HydrophobicContact CD2-CG 4.05Å; Y85-F344 AromaticContact CE1-CD2 3.87Å; Y85-F344 HydrophobicContact CE1-CD2 3.87Å; Y85-F344 HydrophobicContact CE1-CE2 4.2Å; Y85-F344 AromaticContact CE2-CD2 3.81Å; Y85-F344 HydrophobicContact CE2-CD2 3.81Å; Y85-F344 AromaticContact CE2-CE2 3.83Å; Y85-F344 HydrophobicContact CE2-CE2 3.83Å; Y85-F344 HydrophobicContact CE2-CG 4.41Å; Y85-F344 HydrophobicContact CE2-CZ 4.43Å; Y85-F344 HydrophobicContact CG-CB 4.07Å; Y85-F344 AromaticContact CG-CD2 3.87Å; Y85-F344 HydrophobicContact CG-CD2 3.87Å; Y85-F344 HydrophobicContact CG-CG 4.13Å; Y85-F344 AromaticContact CZ-CD2 3.84Å; Y85-F344 AromaticContact CZ-CE2 3.78Å; Y85-T346 HydrophobicContact CD1-CG2 4.34Å; Y85-T346 HydrophobicContact CE1-CG2 3.57Å
86L98.8Very high97.8Very high0 Ų026.2 Ų26.20%016%0.157CC..EExtended strand (participates in β ladder)trans-114110.3172.4-178.2167.1000108.3V91 L116 C117 L120 I145 V146 A147 D148L86-V91 HydrophobicContact CD2-CG2 3.98Å; L86-L116 HydrophobicContact CD1-CB 4.08Å; L86-L116 HydrophobicContact CD1-CD2 4.25Å; L86-L116 HydrophobicContact CD1-CG 3.95Å; L86-L116 HydrophobicContact CD2-CD2 4.36Å; L86-L116 HydrophobicContact CG-CD2 3.94Å; L86-L116 HydrophobicContact CG-CG 4.19Å; L86-C117 HydrophobicContact CD1-CB 3.62Å; L86-C117 VanDerWaalsContact CD1-N 3.34Å; L86-L120 HydrophobicContact CD1-CD1 4.31Å; L86-I145 HydrophobicContact CB-CG2 3.99Å; L86-I145 HydrophobicContact CD1-CG2 4.47Å; L86-V146 PolarHBondContact N-O 2.77Å; L86-A147 HydrophobicContact CB-CB 4.07Å; L86-A147 HydrophobicContact CD1-CB 4.31Å; L86-A147 HydrophobicContact CD2-CB 4.35Å; L86-A147 HydrophobicContact CG-CB 4.48Å; L86-D148 VanDerWaalsContact O-CB 3.31Å; L86-D148 WeakPolarHBondContact O-CB 3.31Å; L86-D148 PolarHBondContact O-N 2.85Å
87S98.4Very high97.8Very high2 Ų228 Ų281%0.01417%0.171CC..  trans-89.9130.4-175175.90000112.3W89 Q90 V91 T346S87-W89 VanDerWaalsContact C-N 3.3Å; S87-W89 WeakPolarHBondContact OG-CB 3.17Å; S87-W89 PolarHBondContact OG-N 3.44Å; S87-Q90 PolarHBondContact O-N 3.28Å; S87-Q90 PolarHBondContact OG-N 2.71Å; S87-V91 WeakPolarHBondContact O-CG2 3.48Å; S87-V91 PolarHBondContact O-N 2.94Å; S87-T346 WeakPolarHBondContact CB-O 3.42Å
88G97.1Very high97.9Very high0 Ų029.6 Ų29.60%018%0.184CC..Hα-helixtrans-63.7-36.7170.400000112Q90 V91 A92 Y108 D148G88-Q90 VanDerWaalsContact C-N 3.35Å; G88-Q90 PolarHBondContact O-N 3.1Å; G88-V91 WeakPolarHBondContact O-CB 3.46Å; G88-V91 PolarHBondContact O-N 3.41Å; G88-A92 PolarHBondContact O-N 2.75Å; G88-Y108 WeakPolarHBondContact CA-OH 3.12Å; G88-Y108 WeakPolarHBondContact O-CE1 3.44Å; G88-D148 WeakPolarHBondContact CA-OD2 3.48Å; G88-D148 VanDerWaalsContact N-CB 3.3Å; G88-D148 PolarHBondContact N-OD2 3.43Å
89W98.2Very high97.9Very high59 Ų5931.8 Ų31.822%0.22321%0.214CC..Hα-helixtrans-56.9-46.4172.2-168.8111.4000111.9S87 A92 A93 D104 L347 F350S87-W89 VanDerWaalsContact C-N 3.3Å; S87-W89 WeakPolarHBondContact OG-CB 3.17Å; S87-W89 PolarHBondContact OG-N 3.44Å; W89-A92 WeakPolarHBondContact O-CB 3.26Å; W89-A92 PolarHBondContact O-N 3.37Å; W89-A93 HydrophobicContact CE3-CB 3.86Å; W89-A93 HydrophobicContact CH2-CB 4.06Å; W89-A93 HydrophobicContact CZ3-CB 3.46Å; W89-A93 VanDerWaalsContact CZ3-CB 3.46Å; W89-A93 WeakPolarHBondContact O-CB 3.43Å; W89-A93 PolarHBondContact O-N 2.93Å; W89-D104 HydrophobicContact CB-CB 3.96Å; W89-D104 HydrophobicContact CG-CB 3.73Å; W89-L347 HydrophobicContact CB-CD2 3.58Å; W89-L347 HydrophobicContact CD2-CD1 4.01Å; W89-L347 HydrophobicContact CD2-CD2 3.5Å; W89-L347 VanDerWaalsContact CD2-CD2 3.5Å; W89-L347 HydrophobicContact CD2-CG 4.38Å; W89-L347 HydrophobicContact CE3-CD1 4.31Å; W89-L347 HydrophobicContact CE3-CD2 3.59Å; W89-L347 HydrophobicContact CE3-CG 4.43Å; W89-L347 HydrophobicContact CG-CD1 4.38Å; W89-L347 HydrophobicContact CG-CD2 3.48Å; W89-L347 VanDerWaalsContact CG-CD2 3.48Å; W89-L347 HydrophobicContact CZ2-CD1 4.35Å; W89-L347 HydrophobicContact CZ3-CD2 4.49Å; W89-F350 AromaticContact CH2-CD1 3.75Å; W89-F350 HydrophobicContact CH2-CD1 3.75Å; W89-F350 AromaticContact CH2-CD2 3.95Å; W89-F350 HydrophobicContact CH2-CD2 3.95Å; W89-F350 AromaticContact CH2-CE1 3.71Å; W89-F350 HydrophobicContact CH2-CE1 3.71Å; W89-F350 AromaticContact CH2-CE2 3.88Å; W89-F350 HydrophobicContact CH2-CE2 3.88Å; W89-F350 AromaticContact CH2-CG 3.88Å; W89-F350 HydrophobicContact CH2-CG 3.88Å; W89-F350 AromaticContact CH2-CZ 3.77Å; W89-F350 HydrophobicContact CH2-CZ 3.77Å; W89-F350 HydrophobicContact CZ3-CB 3.9Å; W89-F350 AromaticContact CZ3-CD1 3.76Å; W89-F350 HydrophobicContact CZ3-CD1 3.76Å; W89-F350 AromaticContact CZ3-CD2 3.53Å; W89-F350 HydrophobicContact CZ3-CD2 3.53Å; W89-F350 HydrophobicContact CZ3-CE1 4.15Å; W89-F350 AromaticContact CZ3-CE2 3.92Å; W89-F350 HydrophobicContact CZ3-CE2 3.92Å; W89-F350 AromaticContact CZ3-CG 3.43Å; W89-F350 HydrophobicContact CZ3-CG 3.43Å; W89-F350 VanDerWaalsContact CZ3-CG 3.43Å; W89-F350 HydrophobicContact CZ3-CZ 4.22Å
90Q98.4Very high97.9Very high0 Ų032.9 Ų32.90%021%0.205CC..Hα-helixtrans-69.3-35.3178.9-65.3-168151.300112G66 A67 I68 S87 G88 A93 D94 L347 F350G66-Q90 PolarHBondContact O-NE2 3.47Å; G66-Q90 PolarHBondContact O-OE1 2.9Å; A67-Q90 VanDerWaalsContact C-NE2 3.28Å; A67-Q90 PolarHBondContact O-NE2 3.06Å; I68-Q90 HydrophobicContact CB-CB 4.23Å; I68-Q90 HydrophobicContact CD1-CB 3.82Å; I68-Q90 VanDerWaalsContact CD1-O 3.27Å; I68-Q90 WeakPolarHBondContact CD1-O 3.19Å; I68-Q90 HydrophobicContact CG1-CB 3.9Å; S87-Q90 PolarHBondContact O-N 3.28Å; S87-Q90 PolarHBondContact OG-N 2.71Å; G88-Q90 VanDerWaalsContact C-N 3.35Å; G88-Q90 PolarHBondContact O-N 3.1Å; Q90-A93 PolarHBondContact O-N 2.9Å; Q90-D94 PolarHBondContact O-N 3.41Å; Q90-D94 VanDerWaalsContact O-N 3.12Å; Q90-L347 HydrophobicContact CG-CD2 4.29Å; Q90-L347 PolarHBondContact OE1-O 2.99Å; Q90-F350 HydrophobicContact CG-CB 4.27Å
91V98.4Very high98Very high0 Ų037.8 Ų37.80%022%0.215CC..Hα-helixtrans-59.1-48.1171.1169.20000110.4L86 S87 G88 A93 N95 N96 Y108 S112 L116L86-V91 HydrophobicContact CD2-CG2 3.98Å; S87-V91 WeakPolarHBondContact O-CG2 3.48Å; S87-V91 PolarHBondContact O-N 2.94Å; G88-V91 WeakPolarHBondContact O-CB 3.46Å; G88-V91 PolarHBondContact O-N 3.41Å; V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 PolarHBondContact O-N 3.31Å; V91-N95 CarbonylContact O-C 3.6Å; V91-N95 VanDerWaalsContact O-C 3.28Å; V91-N95 PolarHBondContact O-N 2.95Å; V91-N95 VanDerWaalsContact O-N 3.16Å; V91-N96 HydrophobicContact CG1-CB 3.89Å; V91-N96 VanDerWaalsContact O-CB 3.31Å; V91-N96 WeakPolarHBondContact O-CB 3.48Å; V91-N96 PolarHBondContact O-N 3.35Å; V91-N96 VanDerWaalsContact O-N 3.17Å; V91-N96 PolarHBondContact O-ND2 2.95Å; V91-Y108 HydrophobicContact CB-CE1 4.37Å; V91-Y108 HydrophobicContact CG1-CD1 4.25Å; V91-Y108 HydrophobicContact CG1-CD2 3.89Å; V91-Y108 HydrophobicContact CG1-CE1 4.04Å; V91-Y108 HydrophobicContact CG1-CE2 3.64Å; V91-Y108 HydrophobicContact CG1-CG 4.17Å; V91-S112 VanDerWaalsContact CG1-CB 3.48Å; V91-L116 HydrophobicContact CG2-CB 4.38Å; V91-L116 HydrophobicContact CG2-CD2 3.6Å
92A98.2Very high98Very high0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-58.6-46.2176.200000111.7G88 W89 N96 Y102 Y108G88-A92 PolarHBondContact O-N 2.75Å; W89-A92 WeakPolarHBondContact O-CB 3.26Å; W89-A92 PolarHBondContact O-N 3.37Å; A92-N96 PolarHBondContact O-ND2 2.9Å; A92-Y102 CarbonylContact C-O 3.46Å; A92-Y102 PolarHBondContact O-N 2.88Å; A92-Y108 HydrophobicContact CB-CD1 3.66Å; A92-Y108 HydrophobicContact CB-CE1 3.79Å
93A97.8Very high98Very high6 Ų638 Ų385%0.0522%0.219CC..Hα-helixtrans-66.2-44.8-173.700000113.6W89 Q90 V91 M101 F350W89-A93 HydrophobicContact CE3-CB 3.86Å; W89-A93 HydrophobicContact CH2-CB 4.06Å; W89-A93 HydrophobicContact CZ3-CB 3.46Å; W89-A93 VanDerWaalsContact CZ3-CB 3.46Å; W89-A93 WeakPolarHBondContact O-CB 3.43Å; W89-A93 PolarHBondContact O-N 2.93Å; Q90-A93 PolarHBondContact O-N 2.9Å; V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 PolarHBondContact O-N 3.31Å; A93-M101 WeakPolarHBondContact O-CA 3.23Å; A93-M101 WeakPolarHBondContact O-CB 3.31Å; A93-M101 VanDerWaalsContact O-CG 3.3Å; A93-M101 WeakPolarHBondContact O-CG 3.49Å; A93-F350 HydrophobicContact CB-CD2 4.16Å; A93-F350 HydrophobicContact CB-CE2 4.26Å
94D97.6Very high97.8Very high105 Ų10538.4 Ų38.456%0.56122%0.221SC*.Hα-helixtrans-153.11.7-168.5-155.436.8000115.8I68 Q90I68-D94 HydrophobicContact CD1-CB 3.61Å; Q90-D94 PolarHBondContact O-N 3.41Å; Q90-D94 VanDerWaalsContact O-N 3.12Å
95N97.4Very high97.7Very high33 Ų3342 Ų4218%0.17624%0.238CC..  trans-145.156.7-178.2-152.2-26.7000113.9I68 V91I68-N95 HydrophobicContact CG1-CB 4Å; I68-N95 PolarHBondContact O-ND2 3.02Å; V91-N95 CarbonylContact O-C 3.6Å; V91-N95 VanDerWaalsContact O-C 3.28Å; V91-N95 PolarHBondContact O-N 2.95Å; V91-N95 VanDerWaalsContact O-N 3.16Å
96N98.3Very high97.6Very high15 Ų1542.8 Ų42.88%0.0824%0.244CC..  trans-113.4162173.661.980.6000113.4V91 A92 A98 G99 M100 Y108V91-N96 HydrophobicContact CG1-CB 3.89Å; V91-N96 VanDerWaalsContact O-CB 3.31Å; V91-N96 WeakPolarHBondContact O-CB 3.48Å; V91-N96 PolarHBondContact O-N 3.35Å; V91-N96 VanDerWaalsContact O-N 3.17Å; V91-N96 PolarHBondContact O-ND2 2.95Å; A92-N96 PolarHBondContact O-ND2 2.9Å; N96-A98 PolarHBondContact O-N 3.39Å; N96-A98 WeakPolarHBondContact OD1-CB 3.23Å; N96-A98 PolarHBondContact OD1-N 2.83Å; N96-A98 VanDerWaalsContact OD1-N 3.12Å; N96-G99 PolarHBondContact O-N 3.04Å; N96-G99 PolarHBondContact OD1-N 3.39Å; N96-M100 PolarHBondContact ND2-O 3.29Å; N96-Y108 HydrophobicContact CB-CG 4.13Å
97S98Very high97.5Very high56 Ų5647.1 Ų47.139%0.39227%0.267SS..THydrogen-bonded Turntrans-72-8.2-175.3-51.20000113.6N111 S112 N115S97-N111 PolarHBondContact OG-OD1 3.47Å; S97-S112 WeakPolarHBondContact CB-OG 3.15Å; S97-S112 PolarHBondContact N-OG 3.49Å; S97-S112 WeakPolarHBondContact OG-CA 3.29Å; S97-S112 PolarHBondContact OG-OG 3.04Å; S97-N115 PolarHBondContact OG-ND2 3.46Å
98A98Very high97.5Very high42 Ų4247.3 Ų47.335%0.34727%0.267SS..THydrogen-bonded Turntrans-86.3-11.4171.800000112.6N96 M100 Y102 P109N96-A98 PolarHBondContact O-N 3.39Å; N96-A98 WeakPolarHBondContact OD1-CB 3.23Å; N96-A98 PolarHBondContact OD1-N 2.83Å; N96-A98 VanDerWaalsContact OD1-N 3.12Å; A98-M100 VanDerWaalsContact C-N 3.26Å; A98-M100 HydrophobicContact CB-CG 4.43Å; A98-M100 PolarHBondContact O-N 2.92Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-P109 HydrophobicContact CB-CG 4.23Å
99G96.4Very high97.6Very high69 Ų6950 Ų5071%0.71129%0.285SS*.  trans6430.6-17800000113.3N96N96-G99 PolarHBondContact O-N 3.04Å; N96-G99 PolarHBondContact OD1-N 3.39Å
100M97.3Very high97.6Very high113 Ų11349.2 Ų49.256%0.55729%0.291SS*.SBendtrans-123.3151.9-177.3-68.2-67.1179.500110.6N96 A98 Y102N96-M100 PolarHBondContact ND2-O 3.29Å; A98-M100 VanDerWaalsContact C-N 3.26Å; A98-M100 HydrophobicContact CB-CG 4.43Å; A98-M100 PolarHBondContact O-N 2.92Å; M100-Y102 HydrophobicContact CB-CD2 4.18Å; M100-Y102 HydrophobicContact CB-CE1 4.27Å; M100-Y102 HydrophobicContact CB-CE2 3.68Å; M100-Y102 HydrophobicContact CG-CE2 4.46Å
101M98.3Very high97.6Very high158 Ų15853 Ų5378%0.77831%0.311SS*.  trans-83.9121166.717517369.500109.5A93A93-M101 WeakPolarHBondContact O-CA 3.23Å; A93-M101 WeakPolarHBondContact O-CB 3.31Å; A93-M101 VanDerWaalsContact O-CG 3.3Å; A93-M101 WeakPolarHBondContact O-CG 3.49Å
102Y98Very high97.6Very high74 Ų7453 Ų5329%0.2931%0.311SS..  trans-121.5152.7178-71.7-56.4000112.4A92 A98 M100 L107A92-Y102 CarbonylContact C-O 3.46Å; A92-Y102 PolarHBondContact O-N 2.88Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; M100-Y102 HydrophobicContact CB-CD2 4.18Å; M100-Y102 HydrophobicContact CB-CE1 4.27Å; M100-Y102 HydrophobicContact CB-CE2 3.68Å; M100-Y102 HydrophobicContact CG-CE2 4.46Å; Y102-L107 HydrophobicContact CD1-CB 3.96Å; Y102-L107 HydrophobicContact CD1-CD1 3.77Å; Y102-L107 HydrophobicContact CD2-CB 4.28Å; Y102-L107 HydrophobicContact CE1-CB 4.3Å; Y102-L107 HydrophobicContact CE1-CD1 4.41Å; Y102-L107 HydrophobicContact CG-CB 3.96Å; Y102-L107 HydrophobicContact CG-CD1 4.29Å
103P96.2Very high97.6Very high64 Ų6453.1 Ų53.142%0.41631%0.312SS..  trans-66.9158.5159.332.2-36.4000111Q105 L107P103-Q105 VanDerWaalsContact C-N 3.28Å; P103-Q105 HydrophobicContact CB-CG 4.27Å; P103-Q105 HydrophobicContact CG-CG 4.27Å; P103-Q105 PolarHBondContact O-N 2.85Å; P103-L107 HydrophobicContact CG-CD1 3.85Å
104D95.8Very high97.7Very high8 Ų853.1 Ų53.14%0.04331%0.312CS..SBendtrans-71.579.1175.9176.116.6000111.8W89 K184 K185 C186W89-D104 HydrophobicContact CB-CB 3.96Å; W89-D104 HydrophobicContact CG-CB 3.73Å; D104-K184 WeakPolarHBondContact OD1-CE 3.29Å; D104-K184 IonicContact OD1-NZ 3.2Å; D104-K184 PolarHBondContact OD1-NZ 3.45Å; D104-K184 IonicContact OD2-NZ 2.91Å; D104-K184 PolarHBondContact OD2-NZ 3.37Å; D104-K185 CarbonylContact O-C 3.52Å; D104-K185 WeakPolarHBondContact O-CA 3.19Å; D104-C186 HydrophobicContact CB-CB 4.03Å; D104-C186 PolarHBondContact O-N 3.25Å; D104-C186 WeakPolarHBondContact OD2-CA 3.35Å; D104-C186 WeakPolarHBondContact OD2-CB 3.45Å; D104-C186 PolarHBondContact OD2-SG 3.03Å
105Q96.9Very high97.7Very high75 Ų7551 Ų5135%0.3530%0.3SS..SBendtrans-143.228.5-175.5-61.5-178.217.200113.6P103 L107 K184P103-Q105 VanDerWaalsContact C-N 3.28Å; P103-Q105 HydrophobicContact CB-CG 4.27Å; P103-Q105 HydrophobicContact CG-CG 4.27Å; P103-Q105 PolarHBondContact O-N 2.85Å; Q105-L107 HydrophobicContact CB-CD1 4.47Å; Q105-L107 HydrophobicContact CB-CG 4.17Å; Q105-L107 PolarHBondContact O-N 3.45Å; Q105-K184 WeakPolarHBondContact CA-O 3.37Å; Q105-K184 WeakPolarHBondContact CB-O 3.47Å
106S96.3Very high97.8Very high19 Ų1949.5 Ų49.513%0.13329%0.292CS..SBendtrans54.724.2-178.7-57.70000115.2Y108 E150 K184S106-Y108 VanDerWaalsContact C-N 3.28Å; S106-Y108 PolarHBondContact O-N 3.35Å; S106-E150 VanDerWaalsContact CA-OE2 3.26Å; S106-E150 WeakPolarHBondContact CA-OE2 3.38Å; S106-E150 WeakPolarHBondContact CB-OE2 3.48Å; S106-E150 PolarHBondContact OG-OE2 3.49Å; S106-K184 VanDerWaalsContact OG-CB 3.23Å; S106-K184 WeakPolarHBondContact OG-CB 3.11Å; S106-K184 VanDerWaalsContact OG-CD 3.3Å; S106-K184 WeakPolarHBondContact OG-CD 3.33Å; S106-K184 VanDerWaalsContact OG-CG 3.28Å; S106-K184 WeakPolarHBondContact OG-CG 3.31Å
107L97.3Very high97.8Very high92 Ų9248.8 Ų48.848%0.48229%0.288SS..  trans-72.8-23.2-179.1-66.6174.8000113Y102 P103 Q105Y102-L107 HydrophobicContact CD1-CB 3.96Å; Y102-L107 HydrophobicContact CD1-CD1 3.77Å; Y102-L107 HydrophobicContact CD2-CB 4.28Å; Y102-L107 HydrophobicContact CE1-CB 4.3Å; Y102-L107 HydrophobicContact CE1-CD1 4.41Å; Y102-L107 HydrophobicContact CG-CB 3.96Å; Y102-L107 HydrophobicContact CG-CD1 4.29Å; P103-L107 HydrophobicContact CG-CD1 3.85Å; Q105-L107 HydrophobicContact CB-CD1 4.47Å; Q105-L107 HydrophobicContact CB-CG 4.17Å; Q105-L107 PolarHBondContact O-N 3.45Å
108Y97.9Very high97.8Very high6 Ų649.5 Ų49.52%0.02429%0.285CS..SBendtrans-81.7154.8-176.460.5-102.4000112.1G88 V91 A92 N96 S106 A110 E150 F153G88-Y108 WeakPolarHBondContact CA-OH 3.12Å; G88-Y108 WeakPolarHBondContact O-CE1 3.44Å; V91-Y108 HydrophobicContact CB-CE1 4.37Å; V91-Y108 HydrophobicContact CG1-CD1 4.25Å; V91-Y108 HydrophobicContact CG1-CD2 3.89Å; V91-Y108 HydrophobicContact CG1-CE1 4.04Å; V91-Y108 HydrophobicContact CG1-CE2 3.64Å; V91-Y108 HydrophobicContact CG1-CG 4.17Å; A92-Y108 HydrophobicContact CB-CD1 3.66Å; A92-Y108 HydrophobicContact CB-CE1 3.79Å; N96-Y108 HydrophobicContact CB-CG 4.13Å; S106-Y108 VanDerWaalsContact C-N 3.28Å; S106-Y108 PolarHBondContact O-N 3.35Å; Y108-A110 PolarHBondContact O-N 3.09Å; Y108-E150 WeakPolarHBondContact CE1-OE1 3.31Å; Y108-E150 PolarHBondContact OH-OE1 3.37Å; Y108-E150 VanDerWaalsContact OH-OE1 3.05Å; Y108-F153 HydrophobicContact CD2-CE1 4.02Å; Y108-F153 HydrophobicContact CD2-CZ 4.09Å; Y108-F153 AromaticContact CE2-CE1 3.72Å; Y108-F153 HydrophobicContact CE2-CE1 3.72Å; Y108-F153 HydrophobicContact CE2-CE2 4.47Å; Y108-F153 AromaticContact CE2-CZ 3.33Å; Y108-F153 HydrophobicContact CE2-CZ 3.33Å; Y108-F153 AromaticContact CZ-CZ 3.71Å; Y108-F153 WeakPolarHBondContact O-CE1 3.33Å
109P98.3Very high97.9Very high56 Ų5654.5 Ų54.536%0.36430%0.295SS..  trans-59.9135.4176.7-24.634.8000112.6A98 N111 S112A98-P109 HydrophobicContact CB-CG 4.23Å; P109-N111 WeakPolarHBondContact CB-OD1 3.38Å; P109-N111 PolarHBondContact O-N 3.36Å; P109-N111 PolarHBondContact O-OD1 3.09Å; P109-S112 VanDerWaalsContact O-CB 3.22Å; P109-S112 WeakPolarHBondContact O-CB 3.42Å; P109-S112 PolarHBondContact O-N 3.17Å; P109-S112 PolarHBondContact O-OG 3.11Å
110A98.2Very high98Very high43 Ų4351.2 Ų51.236%0.35526%0.261SS..THydrogen-bonded Turntrans-57-21.2-172.100000115.6Y108 S112 P114 F153Y108-A110 PolarHBondContact O-N 3.09Å; A110-S112 VanDerWaalsContact C-N 3.26Å; A110-S112 PolarHBondContact O-N 3.33Å; A110-P114 WeakPolarHBondContact O-CD 3.3Å; A110-F153 HydrophobicContact CB-CB 3.85Å; A110-F153 HydrophobicContact CB-CD1 3.66Å; A110-F153 HydrophobicContact CB-CD2 4.01Å; A110-F153 HydrophobicContact CB-CE1 4.24Å; A110-F153 HydrophobicContact CB-CG 3.54Å
111N98.5Very high98Very high79 Ų7946.1 Ų46.142%0.42224%0.236SC..THydrogen-bonded Turntrans-76.7-8.3175.968.6-24.3000114S97 P109 P114 N115S97-N111 PolarHBondContact OG-OD1 3.47Å; P109-N111 WeakPolarHBondContact CB-OD1 3.38Å; P109-N111 PolarHBondContact O-N 3.36Å; P109-N111 PolarHBondContact O-OD1 3.09Å; N111-P114 WeakPolarHBondContact O-CD 3.33Å; N111-N115 PolarHBondContact ND2-ND2 2.5Å; N111-N115 WeakPolarHBondContact O-CB 3.32Å; N111-N115 PolarHBondContact O-N 3.45Å; N111-N115 PolarHBondContact O-ND2 2.74Å
112S98.6Very high98.1Very high1 Ų145.7 Ų45.71%0.00723%0.226CC..Hα-helixtrans-63.5-46.3-174.1-60.20000113.5V91 S97 P109 A110 N115 L116V91-S112 VanDerWaalsContact CG1-CB 3.48Å; S97-S112 WeakPolarHBondContact CB-OG 3.15Å; S97-S112 PolarHBondContact N-OG 3.49Å; S97-S112 WeakPolarHBondContact OG-CA 3.29Å; S97-S112 PolarHBondContact OG-OG 3.04Å; P109-S112 VanDerWaalsContact O-CB 3.22Å; P109-S112 WeakPolarHBondContact O-CB 3.42Å; P109-S112 PolarHBondContact O-N 3.17Å; P109-S112 PolarHBondContact O-OG 3.11Å; A110-S112 VanDerWaalsContact C-N 3.26Å; A110-S112 PolarHBondContact O-N 3.33Å; S112-N115 PolarHBondContact O-N 3.38Å; S112-L116 PolarHBondContact O-N 2.89Å
113G98.6Very high98.1Very high1 Ų143.9 Ų43.91%0.0122%0.223CC..Hα-helixtrans-61.8-51175.800000112.9N115 L116 C117 Y166G113-N115 VanDerWaalsContact C-N 3.31Å; G113-N115 PolarHBondContact O-N 2.92Å; G113-L116 PolarHBondContact O-N 3.34Å; G113-L116 VanDerWaalsContact O-N 3.15Å; G113-C117 PolarHBondContact O-N 3.01Å; G113-Y166 VanDerWaalsContact C-CE1 3.41Å; G113-Y166 VanDerWaalsContact CA-OH 3.27Å; G113-Y166 WeakPolarHBondContact CA-OH 3.15Å
114P98.8Very high98.2Very high7 Ų740.8 Ų40.85%0.04520%0.203CC..Hα-helixtrans-55-41172.3-30.136000114.1A110 N111 L116 C117 Q118 I162 A165 Y166 A169A110-P114 WeakPolarHBondContact O-CD 3.3Å; N111-P114 WeakPolarHBondContact O-CD 3.33Å; P114-L116 PolarHBondContact O-N 3.21Å; P114-C117 WeakPolarHBondContact O-CB 3.11Å; P114-C117 PolarHBondContact O-N 3.42Å; P114-Q118 PolarHBondContact O-N 2.85Å; P114-I162 HydrophobicContact CG-CG1 4.26Å; P114-A165 HydrophobicContact CB-CB 3.88Å; P114-A165 HydrophobicContact CG-CB 3.69Å; P114-Y166 HydrophobicContact CB-CD1 4.31Å; P114-Y166 HydrophobicContact CB-CE1 4.41Å; P114-Y166 HydrophobicContact CG-CD1 4.02Å; P114-Y166 HydrophobicContact CG-CD2 4.23Å; P114-Y166 HydrophobicContact CG-CE1 3.97Å; P114-Y166 HydrophobicContact CG-CE2 4.22Å; P114-Y166 HydrophobicContact CG-CG 4.15Å; P114-A169 HydrophobicContact CB-CB 4.39Å; P114-A169 VanDerWaalsContact O-CB 3.24Å; P114-A169 WeakPolarHBondContact O-CB 3.22Å
115N98.8Very high98.3Very high60 Ų6042.8 Ų42.832%0.32121%0.213SC..Hα-helixtrans-62.1-42.9176.1-76.8-19.4000112S97 N111 S112 G113 Q118 R119S97-N115 PolarHBondContact OG-ND2 3.46Å; N111-N115 PolarHBondContact ND2-ND2 2.5Å; N111-N115 WeakPolarHBondContact O-CB 3.32Å; N111-N115 PolarHBondContact O-N 3.45Å; N111-N115 PolarHBondContact O-ND2 2.74Å; S112-N115 PolarHBondContact O-N 3.38Å; G113-N115 VanDerWaalsContact C-N 3.31Å; G113-N115 PolarHBondContact O-N 2.92Å; N115-Q118 PolarHBondContact O-N 3.45Å; N115-R119 WeakPolarHBondContact O-CG 3.12Å; N115-R119 PolarHBondContact O-N 2.97Å; N115-R119 VanDerWaalsContact O-N 3.07Å
116L98.7Very high98.3Very high1 Ų142.1 Ų42.11%0.00521%0.207CC..Hα-helixtrans-63.2-45.8173.9177.956.5000110.8I68 L86 V91 S112 G113 P114 Q118 R119 L120I68-L116 WeakPolarHBondContact O-CD1 3.41Å; L86-L116 HydrophobicContact CD1-CB 4.08Å; L86-L116 HydrophobicContact CD1-CD2 4.25Å; L86-L116 HydrophobicContact CD1-CG 3.95Å; L86-L116 HydrophobicContact CD2-CD2 4.36Å; L86-L116 HydrophobicContact CG-CD2 3.94Å; L86-L116 HydrophobicContact CG-CG 4.19Å; V91-L116 HydrophobicContact CG2-CB 4.38Å; V91-L116 HydrophobicContact CG2-CD2 3.6Å; S112-L116 PolarHBondContact O-N 2.89Å; G113-L116 PolarHBondContact O-N 3.34Å; G113-L116 VanDerWaalsContact O-N 3.15Å; P114-L116 PolarHBondContact O-N 3.21Å; L116-Q118 VanDerWaalsContact C-N 3.26Å; L116-Q118 PolarHBondContact O-N 3.39Å; L116-R119 WeakPolarHBondContact O-CA 3.3Å; L116-R119 WeakPolarHBondContact O-CB 3.44Å; L116-R119 PolarHBondContact O-N 3.11Å; L116-L120 HydrophobicContact CD1-CD2 3.91Å; L116-L120 HydrophobicContact CD1-CG 4.2Å; L116-L120 HydrophobicContact CG-CG 4.36Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 3.4Å
117C98.8Very high98.3Very high0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-54.7-43.9177.3-175.30000111.8L86 G113 P114 R119 L120 N121 Y166 A169L86-C117 HydrophobicContact CD1-CB 3.62Å; L86-C117 VanDerWaalsContact CD1-N 3.34Å; G113-C117 PolarHBondContact O-N 3.01Å; P114-C117 WeakPolarHBondContact O-CB 3.11Å; P114-C117 PolarHBondContact O-N 3.42Å; C117-R119 PolarHBondContact O-N 3.12Å; C117-L120 PolarHBondContact O-N 3.31Å; C117-N121 PolarHBondContact O-N 2.96Å; C117-Y166 HydrophobicContact CB-CD1 4.12Å; C117-Y166 HydrophobicContact CB-CE1 4.14Å; C117-A169 HydrophobicContact CB-CB 3.88Å
118Q98.7Very high98.3Very high71 Ų7139.4 Ų39.433%0.33219%0.192SC..Hα-helixtrans-62.9-42176.2-174.4-178.671.600111.6P114 N115 L116 N121 R122 A169P114-Q118 PolarHBondContact O-N 2.85Å; N115-Q118 PolarHBondContact O-N 3.45Å; L116-Q118 VanDerWaalsContact C-N 3.26Å; L116-Q118 PolarHBondContact O-N 3.39Å; Q118-N121 PolarHBondContact O-N 2.77Å; Q118-R122 VanDerWaalsContact CD-NH2 3.26Å; Q118-R122 HydrophobicContact CG-CG 4.5Å; Q118-R122 WeakPolarHBondContact O-CB 3.48Å; Q118-R122 VanDerWaalsContact O-CG 3.29Å; Q118-R122 WeakPolarHBondContact O-CG 3.04Å; Q118-R122 PolarHBondContact O-N 3.36Å; Q118-R122 VanDerWaalsContact OE1-NH2 3.16Å; Q118-A169 HydrophobicContact CB-CB 4.11Å
119R98.7Very high98.3Very high147 Ų14742.2 Ų42.256%0.55521%0.206SC*.Hα-helixtrans-61.3-45.1176.1-71.6177.1-177.8-145.82.6111.7N115 L116 C117 R122 T123N115-R119 WeakPolarHBondContact O-CG 3.12Å; N115-R119 PolarHBondContact O-N 2.97Å; N115-R119 VanDerWaalsContact O-N 3.07Å; L116-R119 WeakPolarHBondContact O-CA 3.3Å; L116-R119 WeakPolarHBondContact O-CB 3.44Å; L116-R119 PolarHBondContact O-N 3.11Å; C117-R119 PolarHBondContact O-N 3.12Å; R119-R122 PolarHBondContact O-N 2.83Å; R119-T123 PolarHBondContact O-N 3.12Å; R119-T123 VanDerWaalsContact O-N 3.08Å; R119-T123 PolarHBondContact O-OG1 3.06Å
120L98.8Very high98.1Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-58.5-52.1177.7-58.6-171.3000110.8A67 T69 A73 I84 L86 L116 C117 R122 T123 L124 I145A67-L120 HydrophobicContact CB-CD1 4.17Å; A67-L120 HydrophobicContact CB-CD2 4.26Å; T69-L120 WeakPolarHBondContact O-CD2 3.26Å; A73-L120 HydrophobicContact CB-CB 4.31Å; A73-L120 HydrophobicContact CB-CD2 3.96Å; A73-L120 HydrophobicContact CB-CG 4.49Å; I84-L120 HydrophobicContact CG2-CD1 4.04Å; L86-L120 HydrophobicContact CD1-CD1 4.31Å; L116-L120 HydrophobicContact CD1-CD2 3.91Å; L116-L120 HydrophobicContact CD1-CG 4.2Å; L116-L120 HydrophobicContact CG-CG 4.36Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 3.4Å; C117-L120 PolarHBondContact O-N 3.31Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 2.82Å; L120-T123 PolarHBondContact O-N 3.37Å; L120-L124 WeakPolarHBondContact O-CG 3.19Å; L120-L124 PolarHBondContact O-N 3.5Å; L120-L124 VanDerWaalsContact O-N 3.08Å; L120-I145 HydrophobicContact CB-CD1 3.7Å; L120-I145 HydrophobicContact CD1-CD1 4.23Å
121N98.7Very high97.9Very high6 Ų638.5 Ų38.53%0.03218%0.176CC..Hα-helixtrans-60.1-39.2178.3-87.7-41000112.8L44 C117 Q118 L124 L125 A169 G170L44-N121 HydrophobicContact CD1-CB 4.34Å; C117-N121 PolarHBondContact O-N 2.96Å; Q118-N121 PolarHBondContact O-N 2.77Å; N121-L124 PolarHBondContact O-N 2.93Å; N121-L125 WeakPolarHBondContact O-CB 3.4Å; N121-L125 WeakPolarHBondContact O-CG 3.47Å; N121-L125 PolarHBondContact O-N 3Å; N121-A169 PolarHBondContact ND2-O 3.43Å; N121-G170 WeakPolarHBondContact ND2-CA 3.45Å; N121-G170 PolarHBondContact ND2-O 3.39Å; N121-G170 VanDerWaalsContact ND2-O 3.08Å
122R98.6Very high97.8Very high150 Ų15041.2 Ų41.257%0.56619%0.186SC*.Hα-helixtrans-64-39.5177.3-77.6178.2179.5174.24.2112.6Q118 R119 L120 L125 R126Q118-R122 VanDerWaalsContact CD-NH2 3.26Å; Q118-R122 HydrophobicContact CG-CG 4.5Å; Q118-R122 WeakPolarHBondContact O-CB 3.48Å; Q118-R122 VanDerWaalsContact O-CG 3.29Å; Q118-R122 WeakPolarHBondContact O-CG 3.04Å; Q118-R122 PolarHBondContact O-N 3.36Å; Q118-R122 VanDerWaalsContact OE1-NH2 3.16Å; R119-R122 PolarHBondContact O-N 2.83Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 2.82Å; R122-L125 PolarHBondContact O-N 3.24Å; R122-R126 PolarHBondContact O-N 2.96Å
123T98.7Very high97.5Very high35 Ų3544.1 Ų44.122%0.21520%0.202CC..Hα-helixtrans-67.3-42.4175.9-58.80000111.5G70 L74 R119 L120 L125 R126 A127G70-T123 WeakPolarHBondContact CA-OG1 3.4Å; G70-T123 WeakPolarHBondContact O-CG2 3.48Å; L74-T123 HydrophobicContact CB-CG2 4.06Å; L74-T123 HydrophobicContact CD1-CG2 3.9Å; R119-T123 PolarHBondContact O-N 3.12Å; R119-T123 VanDerWaalsContact O-N 3.08Å; R119-T123 PolarHBondContact O-OG1 3.06Å; L120-T123 PolarHBondContact O-N 3.37Å; T123-L125 VanDerWaalsContact C-N 3.34Å; T123-L125 PolarHBondContact O-N 3.49Å; T123-R126 PolarHBondContact O-N 3.3Å; T123-A127 PolarHBondContact O-N 3.07Å
124L98.3Very high97.2Very high0 Ų045.8 Ų45.80%021%0.209CC..Hα-helixtrans-64.1-38.6175.9-63.2173.6000112.2A73 A77 I84 L120 N121 R126 A127 D128 W141 L142A73-L124 HydrophobicContact CB-CD2 4.46Å; A77-L124 HydrophobicContact CB-CD2 4.1Å; I84-L124 HydrophobicContact CD1-CD1 3.72Å; L120-L124 WeakPolarHBondContact O-CG 3.19Å; L120-L124 PolarHBondContact O-N 3.5Å; L120-L124 VanDerWaalsContact O-N 3.08Å; N121-L124 PolarHBondContact O-N 2.93Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-A127 PolarHBondContact O-N 3.41Å; L124-D128 PolarHBondContact O-N 3.34Å; L124-W141 HydrophobicContact CD2-CE3 4.48Å; L124-W141 WeakPolarHBondContact CD2-O 3.37Å; L124-L142 HydrophobicContact CB-CD2 4.01Å
125L97.6Very high96.6Very high49 Ų4954.2 Ų54.226%0.25725%0.248SC..Hα-helixtrans-62.7-39.3172.7-80.5169.2000112.4L44 N121 R122 T123 A127 D128 Q129 L142L44-L125 HydrophobicContact CD1-CD1 3.97Å; L44-L125 HydrophobicContact CD2-CD1 4.49Å; L44-L125 HydrophobicContact CD2-CD2 4.32Å; N121-L125 WeakPolarHBondContact O-CB 3.4Å; N121-L125 WeakPolarHBondContact O-CG 3.47Å; N121-L125 PolarHBondContact O-N 3Å; R122-L125 PolarHBondContact O-N 3.24Å; T123-L125 VanDerWaalsContact C-N 3.34Å; T123-L125 PolarHBondContact O-N 3.49Å; L125-A127 VanDerWaalsContact C-N 3.35Å; L125-D128 PolarHBondContact O-N 3.4Å; L125-Q129 WeakPolarHBondContact O-CB 3.41Å; L125-Q129 VanDerWaalsContact O-CG 3.23Å; L125-Q129 WeakPolarHBondContact O-CG 3.26Å; L125-Q129 PolarHBondContact O-N 2.97Å; L125-L142 HydrophobicContact CD2-CD1 3.93Å; L125-L142 HydrophobicContact CD2-CD2 3.75Å; L125-L142 HydrophobicContact CD2-CG 4.4Å; L125-L142 HydrophobicContact CG-CD2 3.74Å
126R97.6Very high95.5Very high61 Ų6156.1 Ų56.123%0.2326%0.258CS..Hα-helixtrans-63.9-42.8175.5177.362.868.2-143.1-5.7110.8R122 T123 L124 Q129 I130 Y401R122-R126 PolarHBondContact O-N 2.96Å; T123-R126 PolarHBondContact O-N 3.3Å; L124-R126 VanDerWaalsContact C-N 3.34Å; R126-Q129 PolarHBondContact O-N 3.26Å; R126-I130 HydrophobicContact CG-CD1 3.87Å; R126-I130 HydrophobicContact CG-CG1 4.48Å; R126-I130 WeakPolarHBondContact O-CD1 3.41Å; R126-I130 VanDerWaalsContact O-CG1 3.26Å; R126-I130 WeakPolarHBondContact O-CG1 3.31Å; R126-I130 PolarHBondContact O-N 3.05Å; R126-Y401 PolarHBondContact NH2-OH 3.19Å
127A96.9Very high94.5Very high4 Ų459 Ų593%0.03328%0.276CS..Hα-helixtrans-60.8-44.3176.800000112L74 T123 L124 L125 Q129 I130 E131 W141L74-A127 HydrophobicContact CD1-CB 3.84Å; L74-A127 HydrophobicContact CG-CB 4.19Å; T123-A127 PolarHBondContact O-N 3.07Å; L124-A127 PolarHBondContact O-N 3.41Å; L125-A127 VanDerWaalsContact C-N 3.35Å; A127-Q129 PolarHBondContact O-N 3.37Å; A127-I130 PolarHBondContact O-N 2.84Å; A127-E131 PolarHBondContact O-N 3.07Å; A127-E131 VanDerWaalsContact O-N 3.08Å; A127-W141 HydrophobicContact CB-CD2 3.58Å; A127-W141 HydrophobicContact CB-CE3 3.55Å; A127-W141 HydrophobicContact CB-CG 4.16Å; A127-W141 HydrophobicContact CB-CH2 4.18Å; A127-W141 HydrophobicContact CB-CZ2 4.19Å; A127-W141 HydrophobicContact CB-CZ3 3.87Å
128D96.6Very high93.7Very high50 Ų5064.5 Ų64.527%0.26731%0.309SS..Hα-helixtrans-57.5-47173.5-176.277.3000112.1L124 L125 I130 E131 H132 W141L124-D128 PolarHBondContact O-N 3.34Å; L125-D128 PolarHBondContact O-N 3.4Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 2.91Å; D128-E131 PolarHBondContact O-N 3.32Å; D128-H132 WeakPolarHBondContact O-CB 3.47Å; D128-H132 PolarHBondContact O-N 3.04Å; D128-W141 HydrophobicContact CB-CB 3.98Å; D128-W141 HydrophobicContact CB-CG 4.18Å
129Q97.2Very high93.2Very high66 Ų6665.1 Ų65.131%0.30831%0.309SS..Hα-helixtrans-63.6-36.7178.7-74169-14.200113.3L125 R126 A127 L133 Y400L125-Q129 WeakPolarHBondContact O-CB 3.41Å; L125-Q129 VanDerWaalsContact O-CG 3.23Å; L125-Q129 WeakPolarHBondContact O-CG 3.26Å; L125-Q129 PolarHBondContact O-N 2.97Å; R126-Q129 PolarHBondContact O-N 3.26Å; A127-Q129 PolarHBondContact O-N 3.37Å; Q129-L133 WeakPolarHBondContact O-CB 3.42Å; Q129-L133 PolarHBondContact O-N 3.19Å; Q129-L133 VanDerWaalsContact O-N 3.11Å; Q129-Y400 HydrophobicContact CB-CD2 4.09Å; Q129-Y400 HydrophobicContact CB-CE2 3.74Å; Q129-Y400 HydrophobicContact CG-CE2 4.39Å
130I95.3Very high92.8Very high10 Ų1061.4 Ų61.45%0.05130%0.3CS..Hα-helixtrans-65.6-54.7176.5-68.4161.4000109.7R126 A127 D128 H132 L133 E134 G397R126-I130 HydrophobicContact CG-CD1 3.87Å; R126-I130 HydrophobicContact CG-CG1 4.48Å; R126-I130 WeakPolarHBondContact O-CD1 3.41Å; R126-I130 VanDerWaalsContact O-CG1 3.26Å; R126-I130 WeakPolarHBondContact O-CG1 3.31Å; R126-I130 PolarHBondContact O-N 3.05Å; A127-I130 PolarHBondContact O-N 2.84Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 2.91Å; I130-H132 VanDerWaalsContact C-N 3.28Å; I130-H132 PolarHBondContact O-N 3.25Å; I130-L133 WeakPolarHBondContact O-CB 3.26Å; I130-L133 PolarHBondContact O-N 3.26Å; I130-E134 WeakPolarHBondContact O-CG 3.09Å; I130-E134 PolarHBondContact O-N 2.97Å; I130-G397 VanDerWaalsContact CD1-CA 3.44Å
131E94.4Very high92.7Very high10 Ų1061.4 Ų61.45%0.04730%0.3CS..Hα-helixtrans-67.7-28.9-178.7-72.7-165.2167.100112.6R78 A127 D128 E134 E135 N136 V137 R139 W141R78-E131 IonicContact NH1-OE1 3.59Å; A127-E131 PolarHBondContact O-N 3.07Å; A127-E131 VanDerWaalsContact O-N 3.08Å; D128-E131 PolarHBondContact O-N 3.32Å; E131-E134 PolarHBondContact O-N 3.37Å; E131-E135 PolarHBondContact O-N 2.91Å; E131-N136 PolarHBondContact O-N 2.94Å; E131-V137 HydrophobicContact CB-CG2 3.82Å; E131-V137 WeakPolarHBondContact O-CG2 3.36Å; E131-R139 IonicContact OE1-NE 3.33Å; E131-R139 IonicContact OE2-NE 3.41Å; E131-W141 VanDerWaalsContact CD-CZ2 3.49Å; E131-W141 VanDerWaalsContact CD-NE1 3.32Å; E131-W141 HydrophobicContact CG-CZ2 4.24Å; E131-W141 WeakPolarHBondContact OE1-CZ2 3.47Å; E131-W141 PolarHBondContact OE2-NE1 3.39Å
132H95.1Very high92.6Very high137 Ų13762 Ų6263%0.63430%0.303SS*.Hα-helixtrans-67.1-42175.2-172.368.6000112D128 I130 E134 E135 V137D128-H132 WeakPolarHBondContact O-CB 3.47Å; D128-H132 PolarHBondContact O-N 3.04Å; I130-H132 VanDerWaalsContact C-N 3.28Å; I130-H132 PolarHBondContact O-N 3.25Å; H132-E134 PolarHBondContact O-N 3.29Å; H132-E135 PolarHBondContact O-N 2.83Å; H132-V137 HydrophobicContact CB-CG2 3.84Å
133L93.2Very high92.6Very high62 Ų6255.2 Ų55.233%0.32528%0.278SS..Hα-helixtrans-60.2-37.2173.5173.465.6000111.8Q129 I130 E135 Y400 C403Q129-L133 WeakPolarHBondContact O-CB 3.42Å; Q129-L133 PolarHBondContact O-N 3.19Å; Q129-L133 VanDerWaalsContact O-N 3.11Å; I130-L133 WeakPolarHBondContact O-CB 3.26Å; I130-L133 PolarHBondContact O-N 3.26Å; L133-E135 PolarHBondContact O-N 2.9Å; L133-Y400 HydrophobicContact CD2-CD2 4.2Å; L133-C403 HydrophobicContact CD1-CB 4.09Å; L133-C403 VanDerWaalsContact CD1-SG 3.58Å; L133-C403 HydrophobicContact CD2-CB 3.78Å
134E91.3Very high92.6Very high36 Ų3653.6 Ų53.617%0.16827%0.268CS..THydrogen-bonded Turntrans-812.9-179.7-65.5172.4176.300113.9I130 E131 H132 N136 R394 Q399I130-E134 WeakPolarHBondContact O-CG 3.09Å; I130-E134 PolarHBondContact O-N 2.97Å; E131-E134 PolarHBondContact O-N 3.37Å; H132-E134 PolarHBondContact O-N 3.29Å; E134-N136 HydrophobicContact CB-CB 4.3Å; E134-N136 PolarHBondContact O-N 3.42Å; E134-N136 VanDerWaalsContact O-N 3.13Å; E134-N136 PolarHBondContact O-ND2 3.5Å; E134-N136 VanDerWaalsContact O-ND2 3.16Å; E134-R394 IonicContact OE1-CZ 2.89Å; E134-R394 IonicContact OE1-NE 3.51Å; E134-R394 PolarHBondContact OE1-NE 3.01Å; E134-R394 IonicContact OE1-NH2 2.96Å; E134-R394 PolarHBondContact OE1-NH2 2.99Å; E134-R394 IonicContact OE2-CZ 2.99Å; E134-R394 IonicContact OE2-NE 3.35Å; E134-R394 IonicContact OE2-NH2 2.96Å; E134-R394 PolarHBondContact OE2-NH2 2.77Å; E134-Q399 PolarHBondContact OE1-OE1 3.18Å
135E86.4Confident92.6Very high183 Ų18353.6 Ų53.686%0.85527%0.268SS*.THydrogen-bonded Turntrans55.924-174.8-56.2-173.4165.500113.9E131 H132 L133E131-E135 PolarHBondContact O-N 2.91Å; H132-E135 PolarHBondContact O-N 2.83Å; L133-E135 PolarHBondContact O-N 2.9Å
136N75.5Confident92.7Very high101 Ų10151.3 Ų51.354%0.5426%0.256SS..  trans-121.223.1-170.2-78.3-38000114E131 E134 T138E131-N136 PolarHBondContact O-N 2.94Å; E134-N136 HydrophobicContact CB-CB 4.3Å; E134-N136 PolarHBondContact O-N 3.42Å; E134-N136 VanDerWaalsContact O-N 3.13Å; E134-N136 PolarHBondContact O-ND2 3.5Å; E134-N136 VanDerWaalsContact O-ND2 3.16Å; N136-T138 PolarHBondContact O-N 2.87Å
137V78.6Confident92.8Very high62 Ų6248.4 Ų48.438%0.37625%0.245SC..  trans-67.299177.2-171.60000109.9E131 H132 R139E131-V137 HydrophobicContact CB-CG2 3.82Å; E131-V137 WeakPolarHBondContact O-CG2 3.36Å; H132-V137 HydrophobicContact CB-CG2 3.84Å; V137-R139 WeakPolarHBondContact CG1-O 3.32Å
138T82Confident92.9Very high115 Ų11548.3 Ų48.371%0.70624%0.244SC*.  trans-102.2-9.5178.449.40000112.6N136N136-T138 PolarHBondContact O-N 2.87Å
139R88.4Confident93Very high84 Ų8446 Ų4632%0.31723%0.231SC..SBendtrans-136.7154.5-173.270.7-166.583.2-157.72.3112R78 E131 V137 W141R78-R139 PolarHBondContact O-NH1 3.06Å; E131-R139 IonicContact OE1-NE 3.33Å; E131-R139 IonicContact OE2-NE 3.41Å; V137-R139 WeakPolarHBondContact CG1-O 3.32Å; R139-W141 HydrophobicContact CG-CD2 4.25Å; R139-W141 HydrophobicContact CG-CZ2 4.04Å; R139-W141 PolarHBondContact O-N 3.32Å
140D90.4Very high93Very high69 Ų6942.8 Ų42.837%0.36922%0.216SC..  trans-89.4100.6174.1-178-4.2000110.6R47 K51 L142 L143R47-D140 IonicContact CZ-OD1 3.32Å; R47-D140 IonicContact CZ-OD2 3.6Å; R47-D140 IonicContact NH1-OD1 2.69Å; R47-D140 IonicContact NH2-OD1 3.2Å; R47-D140 PolarHBondContact NH2-OD1 3.28Å; R47-D140 IonicContact NH2-OD2 2.84Å; R47-D140 PolarHBondContact NH2-OD2 3.04Å; K51-D140 WeakPolarHBondContact CE-OD2 3.36Å; K51-D140 IonicContact NZ-OD1 3.48Å; K51-D140 IonicContact NZ-OD2 2.69Å; K51-D140 PolarHBondContact NZ-OD2 3.14Å; D140-L142 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 3.38Å; D140-L142 PolarHBondContact OD1-N 2.89Å; D140-L142 VanDerWaalsContact OD1-N 3.12Å; D140-L143 WeakPolarHBondContact O-CD2 3.42Å
141W96.4Very high93.1Very high0 Ų042.4 Ų42.40%021%0.214CC..  trans-65-33.3-179.5-74.1103.9000114.3L74 A77 R78 L124 A127 D128 E131 R139 L143L74-W141 HydrophobicContact CD2-CH2 4.32Å; L74-W141 HydrophobicContact CD2-CZ3 4.1Å; L74-W141 HydrophobicContact CG-CH2 4.48Å; L74-W141 HydrophobicContact CG-CZ3 3.89Å; A77-W141 HydrophobicContact CB-CE3 4.03Å; A77-W141 HydrophobicContact CB-CZ3 4.13Å; R78-W141 HydrophobicContact CB-CH2 4.13Å; R78-W141 HydrophobicContact CB-CZ3 4.34Å; R78-W141 HydrophobicContact CG-CH2 4.45Å; R78-W141 VanDerWaalsContact CZ-CH2 3.48Å; L124-W141 HydrophobicContact CD2-CE3 4.48Å; L124-W141 WeakPolarHBondContact CD2-O 3.37Å; A127-W141 HydrophobicContact CB-CD2 3.58Å; A127-W141 HydrophobicContact CB-CE3 3.55Å; A127-W141 HydrophobicContact CB-CG 4.16Å; A127-W141 HydrophobicContact CB-CH2 4.18Å; A127-W141 HydrophobicContact CB-CZ2 4.19Å; A127-W141 HydrophobicContact CB-CZ3 3.87Å; D128-W141 HydrophobicContact CB-CB 3.98Å; D128-W141 HydrophobicContact CB-CG 4.18Å; E131-W141 VanDerWaalsContact CD-CZ2 3.49Å; E131-W141 VanDerWaalsContact CD-NE1 3.32Å; E131-W141 HydrophobicContact CG-CZ2 4.24Å; E131-W141 WeakPolarHBondContact OE1-CZ2 3.47Å; E131-W141 PolarHBondContact OE2-NE1 3.39Å; R139-W141 HydrophobicContact CG-CD2 4.25Å; R139-W141 HydrophobicContact CG-CZ2 4.04Å; R139-W141 PolarHBondContact O-N 3.32Å; W141-L143 VanDerWaalsContact C-N 3.27Å; W141-L143 PolarHBondContact O-N 3.02Å
142L97.1Very high93.3Very high19 Ų1941.9 Ų41.910%0.09921%0.212CC..  trans-83.976.7-173.6-64.9177.6000109.8L44 R47 K51 L124 L125 D140L44-L142 HydrophobicContact CD2-CD1 4.16Å; R47-L142 PolarHBondContact NH1-O 3.49Å; R47-L142 VanDerWaalsContact NH1-O 3.14Å; K51-L142 PolarHBondContact NZ-O 3.28Å; K51-L142 VanDerWaalsContact NZ-O 3.13Å; L124-L142 HydrophobicContact CB-CD2 4.01Å; L125-L142 HydrophobicContact CD2-CD1 3.93Å; L125-L142 HydrophobicContact CD2-CD2 3.75Å; L125-L142 HydrophobicContact CD2-CG 4.4Å; L125-L142 HydrophobicContact CG-CD2 3.74Å; D140-L142 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 3.38Å; D140-L142 PolarHBondContact OD1-N 2.89Å; D140-L142 VanDerWaalsContact OD1-N 3.12Å
143L98.1Very high93.5Very high7 Ų737.1 Ų37.14%0.03719%0.19CC..PPolyproline II helixtrans-71.4144.3175.7-59.8-170.2000111.9A77 L81 I84 D140 W141 I145A77-L143 HydrophobicContact CB-CD1 3.55Å; A77-L143 HydrophobicContact CB-CG 3.92Å; L81-L143 WeakPolarHBondContact O-CD1 3.44Å; I84-L143 HydrophobicContact CD1-CB 4.04Å; I84-L143 HydrophobicContact CD1-CD1 4.17Å; I84-L143 HydrophobicContact CG1-CB 4.41Å; I84-L143 HydrophobicContact CG1-CD1 4.13Å; D140-L143 WeakPolarHBondContact O-CD2 3.42Å; W141-L143 VanDerWaalsContact C-N 3.27Å; W141-L143 PolarHBondContact O-N 3.02Å; L143-I145 PolarHBondContact O-N 3.03Å
144P98.7Very high93.6Very high0 Ų035.6 Ų35.60%019%0.189CC..PPolyproline II helixtrans-64.8125.7171.226.1-33.4000112L52 L55 K82 S83 I84 A172L52-P144 HydrophobicContact CB-CB 3.68Å; L52-P144 HydrophobicContact CB-CG 4.16Å; L52-P144 HydrophobicContact CD1-CB 4.2Å; L52-P144 HydrophobicContact CD1-CG 4.19Å; L52-P144 HydrophobicContact CG-CB 4.35Å; L55-P144 HydrophobicContact CD1-CG 3.97Å; K82-P144 VanDerWaalsContact O-CD 3.23Å; K82-P144 WeakPolarHBondContact O-CD 3.29Å; K82-P144 WeakPolarHBondContact O-CG 3.39Å; S83-P144 WeakPolarHBondContact CA-O 3.4Å; S83-P144 PolarHBondContact OG-O 2.63Å; I84-P144 PolarHBondContact N-O 3.02Å; P144-A172 HydrophobicContact CB-CB 3.41Å; P144-A172 VanDerWaalsContact CB-CB 3.41Å
145I98.9Very high94Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-94.6123.3173.3-60.3165.8000108.9I84 L86 L120 L143 A172 G173I84-I145 HydrophobicContact CB-CG1 4.23Å; I84-I145 HydrophobicContact CD1-CG1 4.42Å; I84-I145 WeakPolarHBondContact O-CA 3.41Å; L86-I145 HydrophobicContact CB-CG2 3.99Å; L86-I145 HydrophobicContact CD1-CG2 4.47Å; L120-I145 HydrophobicContact CB-CD1 3.7Å; L120-I145 HydrophobicContact CD1-CD1 4.23Å; L143-I145 PolarHBondContact O-N 3.03Å; I145-A172 WeakPolarHBondContact O-CB 3.48Å; I145-A172 PolarHBondContact O-N 3.19Å; I145-G173 PolarHBondContact O-N 3.3Å; I145-G173 VanDerWaalsContact O-N 3.16Å
146V98.9Very high94.5Very high1 Ų128.7 Ų28.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-100.6118.1168.3179.80000108.3L52 I84 Y85 L86 G173 I221 Y342L52-V146 HydrophobicContact CD1-CG2 4.22Å; L52-V146 HydrophobicContact CD2-CG2 3.58Å; I84-V146 PolarHBondContact O-N 3.11Å; Y85-V146 WeakPolarHBondContact CA-O 3.46Å; Y85-V146 WeakPolarHBondContact CD2-O 3.27Å; L86-V146 PolarHBondContact N-O 2.77Å; V146-G173 CarbonylContact C-O 3.57Å; V146-G173 WeakPolarHBondContact CA-O 3.48Å; V146-I221 HydrophobicContact CG1-CD1 3.46Å; V146-I221 VanDerWaalsContact CG1-CD1 3.46Å; V146-Y342 HydrophobicContact CB-CE1 3.75Å; V146-Y342 HydrophobicContact CB-CE2 4.44Å; V146-Y342 WeakPolarHBondContact CB-OH 3.25Å; V146-Y342 HydrophobicContact CG1-CD1 4.43Å; V146-Y342 HydrophobicContact CG1-CE1 3.82Å; V146-Y342 HydrophobicContact CG2-CD1 4.5Å; V146-Y342 HydrophobicContact CG2-CD2 4.42Å; V146-Y342 HydrophobicContact CG2-CE1 3.83Å; V146-Y342 HydrophobicContact CG2-CE2 3.73Å; V146-Y342 WeakPolarHBondContact CG2-OH 3.25Å
147A98.8Very high95.6Very high0 Ų030.8 Ų30.80%018%0.179CC..EExtended strand (participates in β ladder)trans-113151.4-169.600000114.1L86 Y166 G173 V174 H175L86-A147 HydrophobicContact CB-CB 4.07Å; L86-A147 HydrophobicContact CD1-CB 4.31Å; L86-A147 HydrophobicContact CD2-CB 4.35Å; L86-A147 HydrophobicContact CG-CB 4.48Å; A147-Y166 HydrophobicContact CB-CD1 3.8Å; A147-Y166 HydrophobicContact CB-CE1 3.42Å; A147-Y166 VanDerWaalsContact CB-CE1 3.42Å; A147-Y166 HydrophobicContact CB-CE2 4.39Å; A147-Y166 HydrophobicContact CB-CG 4.45Å; A147-G173 PolarHBondContact N-O 2.85Å; A147-V174 CarbonylContact O-C 3.45Å; A147-V174 VanDerWaalsContact O-CA 3.3Å; A147-V174 WeakPolarHBondContact O-CA 3.42Å; A147-H175 PolarHBondContact O-CD2 3Å; A147-H175 PolarHBondContact O-N 3.23Å
148D98.7Very high96.6Very high3 Ų331.7 Ų31.72%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-87.5115.7178.8-168.1-13000111.8L86 G88 E150 Y166 H175L86-D148 VanDerWaalsContact O-CB 3.31Å; L86-D148 WeakPolarHBondContact O-CB 3.31Å; L86-D148 PolarHBondContact O-N 2.85Å; G88-D148 WeakPolarHBondContact CA-OD2 3.48Å; G88-D148 VanDerWaalsContact N-CB 3.3Å; G88-D148 PolarHBondContact N-OD2 3.43Å; D148-E150 VanDerWaalsContact OD1-CA 3.26Å; D148-E150 WeakPolarHBondContact OD1-CA 3.49Å; D148-E150 PolarHBondContact OD1-N 3.19Å; D148-Y166 PolarHBondContact O-OH 2.61Å; D148-H175 VanDerWaalsContact CA-NE2 3.29Å; D148-H175 WeakPolarHBondContact CA-NE2 3.47Å; D148-H175 VanDerWaalsContact CB-NE2 3.26Å; D148-H175 WeakPolarHBondContact CB-NE2 3.46Å; D148-H175 VanDerWaalsContact CG-NE2 3.26Å; D148-H175 IonicContact OD1-CE1 2.75Å; D148-H175 PolarHBondContact OD1-CE1 3.02Å; D148-H175 IonicContact OD1-ND1 2.76Å; D148-H175 IonicContact OD1-NE2 3.22Å; D148-H175 PolarHBondContact OD1-NE2 3.34Å; D148-H175 IonicContact OD2-CE1 3.95Å; D148-H175 IonicContact OD2-NE2 3.96Å
149A98.7Very high97.4Very high0 Ų026.2 Ų26.20%015%0.148CC..  trans-98.89.3169.800000112.9A151 G152 I162 Y166 V174 H175 Y176A149-A151 PolarHBondContact O-N 2.9Å; A149-G152 VanDerWaalsContact O-CA 3.26Å; A149-G152 WeakPolarHBondContact O-CA 3.3Å; A149-G152 PolarHBondContact O-N 2.92Å; A149-I162 HydrophobicContact CB-CD1 4.2Å; A149-I162 HydrophobicContact CB-CG2 4.13Å; A149-Y166 HydrophobicContact CB-CD2 4.48Å; A149-Y166 HydrophobicContact CB-CE2 4Å; A149-V174 HydrophobicContact CB-CG1 3.53Å; A149-H175 WeakPolarHBondContact CB-O 3.38Å; A149-H175 PolarHBondContact N-O 3.45Å; A149-Y176 HydrophobicContact CB-CD1 3.9Å; A149-Y176 HydrophobicContact CB-CE1 3.5Å; A149-Y176 HydrophobicContact CB-CE2 4.14Å; A149-Y176 HydrophobicContact CB-CG 4.38Å
150E98.1Very high97.9Very high0 Ų024 Ų240%014%0.14CC..THydrogen-bonded Turntrans48.5-134.6-177.1-58.3-172.7141.700111.1S106 Y108 D148 G152 F153 Y176 E177 K184S106-E150 VanDerWaalsContact CA-OE2 3.26Å; S106-E150 WeakPolarHBondContact CA-OE2 3.38Å; S106-E150 WeakPolarHBondContact CB-OE2 3.48Å; S106-E150 PolarHBondContact OG-OE2 3.49Å; Y108-E150 WeakPolarHBondContact CE1-OE1 3.31Å; Y108-E150 PolarHBondContact OH-OE1 3.37Å; Y108-E150 VanDerWaalsContact OH-OE1 3.05Å; D148-E150 VanDerWaalsContact OD1-CA 3.26Å; D148-E150 WeakPolarHBondContact OD1-CA 3.49Å; D148-E150 PolarHBondContact OD1-N 3.19Å; E150-G152 PolarHBondContact O-N 2.7Å; E150-F153 HydrophobicContact CB-CE2 4.24Å; E150-F153 HydrophobicContact CG-CE2 4.32Å; E150-F153 HydrophobicContact CG-CZ 4.26Å; E150-F153 WeakPolarHBondContact OE2-CE1 3.44Å; E150-F153 WeakPolarHBondContact OE2-CZ 3.32Å; E150-Y176 WeakPolarHBondContact O-CA 3.33Å; E150-E177 PolarHBondContact O-N 2.84Å; E150-K184 VanDerWaalsContact CD-CE 3.43Å; E150-K184 WeakPolarHBondContact OE1-CE 3.47Å
151A98.2Very high98.3Very high1 Ų125.4 Ų25.41%0.00814%0.144CC..THydrogen-bonded Turntrans-81.513.7172.500000113.1A149 F153 E177 Q179 A181 K184A149-A151 PolarHBondContact O-N 2.9Å; A151-F153 VanDerWaalsContact C-N 3.34Å; A151-F153 PolarHBondContact O-N 3.22Å; A151-E177 HydrophobicContact CB-CG 4.45Å; A151-Q179 HydrophobicContact CB-CB 4.36Å; A151-Q179 WeakPolarHBondContact CB-O 3.31Å; A151-A181 HydrophobicContact CB-CB 3.85Å; A151-K184 HydrophobicContact CB-CG 4.4Å
152G98Very high98.4Very high0 Ų025.8 Ų25.80%015%0.146CC..THydrogen-bonded Turntrans7712.7-178.700000115.3A149 E150 G154 N158A149-G152 VanDerWaalsContact O-CA 3.26Å; A149-G152 WeakPolarHBondContact O-CA 3.3Å; A149-G152 PolarHBondContact O-N 2.92Å; E150-G152 PolarHBondContact O-N 2.7Å; G152-G154 PolarHBondContact O-N 2.79Å; G152-G154 VanDerWaalsContact O-N 3.14Å; G152-N158 CarbonylContact O-C 3.57Å; G152-N158 WeakPolarHBondContact O-CB 3.18Å
153F98.1Very high98.5Very high36 Ų3624.9 Ų24.916%0.15814%0.142CC..THydrogen-bonded Turntrans5823.2177.5-63.1-97.4000114.8Y108 A110 E150 A151 I162Y108-F153 HydrophobicContact CD2-CE1 4.02Å; Y108-F153 HydrophobicContact CD2-CZ 4.09Å; Y108-F153 AromaticContact CE2-CE1 3.72Å; Y108-F153 HydrophobicContact CE2-CE1 3.72Å; Y108-F153 HydrophobicContact CE2-CE2 4.47Å; Y108-F153 AromaticContact CE2-CZ 3.33Å; Y108-F153 HydrophobicContact CE2-CZ 3.33Å; Y108-F153 AromaticContact CZ-CZ 3.71Å; Y108-F153 WeakPolarHBondContact O-CE1 3.33Å; A110-F153 HydrophobicContact CB-CB 3.85Å; A110-F153 HydrophobicContact CB-CD1 3.66Å; A110-F153 HydrophobicContact CB-CD2 4.01Å; A110-F153 HydrophobicContact CB-CE1 4.24Å; A110-F153 HydrophobicContact CB-CG 3.54Å; E150-F153 HydrophobicContact CB-CE2 4.24Å; E150-F153 HydrophobicContact CG-CE2 4.32Å; E150-F153 HydrophobicContact CG-CZ 4.26Å; E150-F153 WeakPolarHBondContact OE2-CE1 3.44Å; E150-F153 WeakPolarHBondContact OE2-CZ 3.32Å; A151-F153 VanDerWaalsContact C-N 3.34Å; A151-F153 PolarHBondContact O-N 3.22Å; F153-I162 HydrophobicContact CD2-CD1 3.38Å; F153-I162 HydrophobicContact CE2-CD1 3.42Å; F153-I162 VanDerWaalsContact CE2-CD1 3.42Å
154G97.3Very high98.5Very high31 Ų3127.6 Ų27.632%0.3215%0.151SC..SBendtrans153.8-130.5177.200000112.9G152 A181G152-G154 PolarHBondContact O-N 2.79Å; G152-G154 VanDerWaalsContact O-N 3.14Å; G154-A181 VanDerWaalsContact N-CB 3.31Å
155G97.8Very high98.5Very high29 Ų2929 Ų2930%0.29916%0.163SC..SBendtrans-97.2-168.5178.900000113.4L157 N158 C159G155-L157 VanDerWaalsContact C-N 3.26Å; G155-L157 PolarHBondContact O-N 3.1Å; G155-L157 VanDerWaalsContact O-N 3.14Å; G155-N158 PolarHBondContact N-OD1 3.29Å; G155-N158 WeakPolarHBondContact O-CB 3.29Å; G155-N158 PolarHBondContact O-N 3.09Å; G155-C159 PolarHBondContact O-N 2.81Å; G155-C159 VanDerWaalsContact O-N 3.08Å; G155-C159 PolarHBondContact O-SG 3.07Å
156P98.6Very high98.5Very high45 Ų4529.1 Ų29.129%0.29216%0.164SC..Hα-helixtrans-57.1-33.3-176.8-27.635.2000114.6C159 Y160 R202 A206P156-C159 WeakPolarHBondContact O-CB 3.32Å; P156-C159 PolarHBondContact O-N 2.92Å; P156-Y160 PolarHBondContact O-N 2.86Å; P156-R202 HydrophobicContact CG-CB 3.85Å; P156-A206 HydrophobicContact CB-CB 3.94Å; P156-A206 WeakPolarHBondContact O-CB 3.17Å
157L98.6Very high98.5Very high145 Ų14529.1 Ų29.176%0.75916%0.164SC*.Hα-helixtrans-68.7-36.3176.9-63179.9000112.1G155 Y160 E161G155-L157 VanDerWaalsContact C-N 3.26Å; G155-L157 PolarHBondContact O-N 3.1Å; G155-L157 VanDerWaalsContact O-N 3.14Å; L157-Y160 WeakPolarHBondContact O-CB 3.4Å; L157-Y160 PolarHBondContact O-N 3.3Å; L157-E161 PolarHBondContact O-N 2.7Å
158N98.8Very high98.5Very high80 Ų8034 Ų3443%0.42819%0.187SC..Hα-helixtrans-66.5-42.2173.6-56.792000110.5G152 G155 Y160 E161 I162G152-N158 CarbonylContact O-C 3.57Å; G152-N158 WeakPolarHBondContact O-CB 3.18Å; G155-N158 PolarHBondContact N-OD1 3.29Å; G155-N158 WeakPolarHBondContact O-CB 3.29Å; G155-N158 PolarHBondContact O-N 3.09Å; N158-Y160 VanDerWaalsContact C-N 3.31Å; N158-Y160 PolarHBondContact O-N 3.46Å; N158-E161 PolarHBondContact O-N 3.05Å; N158-I162 WeakPolarHBondContact O-CG2 3.49Å; N158-I162 PolarHBondContact O-N 3.48Å
159C98.8Very high98.5Very high0 Ų034.2 Ų34.20%019%0.189CC..Hα-helixtrans-59.8-39.2172.9-60.10000112.7G155 P156 M163 Y176 N203 A206G155-C159 PolarHBondContact O-N 2.81Å; G155-C159 VanDerWaalsContact O-N 3.08Å; G155-C159 PolarHBondContact O-SG 3.07Å; P156-C159 WeakPolarHBondContact O-CB 3.32Å; P156-C159 PolarHBondContact O-N 2.92Å; C159-M163 WeakPolarHBondContact O-CB 3.26Å; C159-M163 PolarHBondContact O-N 3.23Å; C159-M163 VanDerWaalsContact O-N 3.16Å; C159-Y176 HydrophobicContact CB-CD1 4.44Å; C159-Y176 HydrophobicContact CB-CE1 3.92Å; C159-Y176 PolarHBondContact O-OH 2.97Å; C159-N203 HydrophobicContact CB-CB 4.37Å; C159-N203 VanDerWaalsContact SG-CB 3.52Å; C159-A206 HydrophobicContact CB-CB 4.32Å
160Y98.8Very high98.5Very high38 Ų3834.3 Ų34.315%0.14919%0.189CC..Hα-helixtrans-62.3-49.9175.9179.4-89000111.3P156 L157 N158 M163 R164 L209 A210 V213P156-Y160 PolarHBondContact O-N 2.86Å; L157-Y160 WeakPolarHBondContact O-CB 3.4Å; L157-Y160 PolarHBondContact O-N 3.3Å; N158-Y160 VanDerWaalsContact C-N 3.31Å; N158-Y160 PolarHBondContact O-N 3.46Å; Y160-M163 PolarHBondContact O-N 3.36Å; Y160-R164 HydrophobicContact CE1-CG 4.17Å; Y160-R164 PolarHBondContact O-N 3.2Å; Y160-R164 VanDerWaalsContact O-N 3.13Å; Y160-L209 HydrophobicContact CD2-CB 4.43Å; Y160-L209 HydrophobicContact CD2-CG 4.4Å; Y160-L209 HydrophobicContact CE2-CB 4.43Å; Y160-L209 HydrophobicContact CE2-CD2 4.4Å; Y160-L209 HydrophobicContact CE2-CG 4.05Å; Y160-A210 HydrophobicContact CD2-CB 3.57Å; Y160-A210 HydrophobicContact CE2-CB 3.75Å; Y160-A210 HydrophobicContact CG-CB 4.05Å; Y160-A210 WeakPolarHBondContact O-CB 3.02Å; Y160-V213 VanDerWaalsContact OH-CG1 3.28Å; Y160-V213 WeakPolarHBondContact OH-CG1 3.28Å
161E98.8Very high98.5Very high99 Ų9934.3 Ų34.346%0.46319%0.189SC..Hα-helixtrans-68.8-41.3-177.8-74.6-59.6126.700112.8L157 N158 M163 R164 A165L157-E161 PolarHBondContact O-N 2.7Å; N158-E161 PolarHBondContact O-N 3.05Å; E161-M163 VanDerWaalsContact C-N 3.33Å; E161-M163 PolarHBondContact O-N 3.31Å; E161-R164 PolarHBondContact O-N 3.27Å; E161-R164 IonicContact OE1-NH1 3.72Å; E161-R164 PolarHBondContact OE1-NH1 3.27Å; E161-R164 IonicContact OE2-NH1 3.85Å; E161-R164 PolarHBondContact OE2-NH1 3.13Å; E161-A165 PolarHBondContact O-N 3.2Å
162I98.8Very high98.5Very high8 Ų834.2 Ų34.24%0.04119%0.189CC..Hα-helixtrans-67.3-34.2178-163.4169.3000112.1P114 A149 F153 N158 A165 Y166 Y176P114-I162 HydrophobicContact CG-CG1 4.26Å; A149-I162 HydrophobicContact CB-CD1 4.2Å; A149-I162 HydrophobicContact CB-CG2 4.13Å; F153-I162 HydrophobicContact CD2-CD1 3.38Å; F153-I162 HydrophobicContact CE2-CD1 3.42Å; F153-I162 VanDerWaalsContact CE2-CD1 3.42Å; N158-I162 WeakPolarHBondContact O-CG2 3.49Å; N158-I162 PolarHBondContact O-N 3.48Å; I162-A165 PolarHBondContact O-N 3.4Å; I162-Y166 HydrophobicContact CD1-CE2 4.07Å; I162-Y166 HydrophobicContact CG1-CD2 3.94Å; I162-Y166 HydrophobicContact CG1-CE2 3.84Å; I162-Y166 WeakPolarHBondContact O-CD2 3.45Å; I162-Y166 PolarHBondContact O-N 3.42Å; I162-Y176 HydrophobicContact CG2-CE1 3.9Å; I162-Y176 WeakPolarHBondContact CG2-OH 3.24Å
163M98.9Very high98.6Very high0 Ų034.2 Ų34.20%019%0.189CC..Hα-helixtrans-60.5-47.6170.817858.482.700111.1C159 Y160 E161 A165 Y166 I167 V174 Y176 A207 A210 V218 I220C159-M163 WeakPolarHBondContact O-CB 3.26Å; C159-M163 PolarHBondContact O-N 3.23Å; C159-M163 VanDerWaalsContact O-N 3.16Å; Y160-M163 PolarHBondContact O-N 3.36Å; E161-M163 VanDerWaalsContact C-N 3.33Å; E161-M163 PolarHBondContact O-N 3.31Å; M163-A165 VanDerWaalsContact C-N 3.33Å; M163-A165 PolarHBondContact O-N 3.01Å; M163-Y166 PolarHBondContact O-N 3.49Å; M163-I167 HydrophobicContact CG-CD1 3.84Å; M163-I167 HydrophobicContact CG-CG1 4.44Å; M163-I167 WeakPolarHBondContact O-CG1 3.36Å; M163-I167 PolarHBondContact O-N 2.97Å; M163-I167 HydrophobicContact SD-CD1 4.05Å; M163-I167 HydrophobicContact SD-CG1 4.16Å; M163-V174 HydrophobicContact CE-CB 3.89Å; M163-V174 HydrophobicContact CE-CG1 4.42Å; M163-V174 HydrophobicContact CE-CG2 4.21Å; M163-V174 HydrophobicContact SD-CB 4.17Å; M163-V174 HydrophobicContact SD-CG2 3.82Å; M163-Y176 WeakPolarHBondContact CB-OH 3.34Å; M163-Y176 HydrophobicContact CE-CE2 3.81Å; M163-Y176 PolarHBondContact N-OH 3.16Å; M163-A207 HydrophobicContact CE-CB 3.71Å; M163-A207 WeakPolarHBondContact CG-O 3.36Å; M163-A210 HydrophobicContact CB-CB 3.67Å; M163-A210 HydrophobicContact CG-CB 3.62Å; M163-V218 HydrophobicContact CE-CG1 4.01Å; M163-V218 HydrophobicContact SD-CG1 3.68Å; M163-V218 HydrophobicContact SD-CG2 4.44Å; M163-I220 HydrophobicContact CE-CD1 4.09Å; M163-I220 HydrophobicContact CE-CG1 3.84Å
164R98.5Very high98.6Very high63 Ų6332.5 Ų32.524%0.23818%0.181CC..Hα-helixtrans-59.3-44.8177.4-73.8-169.255.2-123.2-15111.7Y160 E161 Y166 I167 E168 A210Y160-R164 HydrophobicContact CE1-CG 4.17Å; Y160-R164 PolarHBondContact O-N 3.2Å; Y160-R164 VanDerWaalsContact O-N 3.13Å; E161-R164 PolarHBondContact O-N 3.27Å; E161-R164 IonicContact OE1-NH1 3.72Å; E161-R164 PolarHBondContact OE1-NH1 3.27Å; E161-R164 IonicContact OE2-NH1 3.85Å; E161-R164 PolarHBondContact OE2-NH1 3.13Å; R164-Y166 VanDerWaalsContact C-N 3.32Å; R164-Y166 PolarHBondContact O-N 2.86Å; R164-I167 PolarHBondContact O-N 3.24Å; R164-E168 IonicContact CZ-OE1 2.77Å; R164-E168 IonicContact NH2-OE1 3.32Å; R164-E168 PolarHBondContact NH2-OE1 3.41Å; R164-E168 WeakPolarHBondContact O-CB 3.12Å; R164-E168 WeakPolarHBondContact O-CG 3.42Å; R164-E168 PolarHBondContact O-N 3.15Å; R164-A210 HydrophobicContact CG-CB 3.87Å
165A98.8Very high98.7Very high31 Ų3131.1 Ų31.126%0.25617%0.166SC..Hα-helixtrans-60.3-40.317700000112.2P114 E161 I162 M163 E168 A169P114-A165 HydrophobicContact CB-CB 3.88Å; P114-A165 HydrophobicContact CG-CB 3.69Å; E161-A165 PolarHBondContact O-N 3.2Å; I162-A165 PolarHBondContact O-N 3.4Å; M163-A165 VanDerWaalsContact C-N 3.33Å; M163-A165 PolarHBondContact O-N 3.01Å; A165-E168 PolarHBondContact O-N 3.35Å; A165-A169 VanDerWaalsContact O-CB 3.3Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 2.9Å
166Y98.9Very high98.7Very high1 Ų129.8 Ų29.80%0.00415%0.152CC..Hα-helixtrans-67.9-38.7174.4-86.8-54.7000113.5G113 P114 C117 A147 D148 A149 I162 M163 R164 A169 G170 A171 V174G113-Y166 VanDerWaalsContact C-CE1 3.41Å; G113-Y166 VanDerWaalsContact CA-OH 3.27Å; G113-Y166 WeakPolarHBondContact CA-OH 3.15Å; P114-Y166 HydrophobicContact CB-CD1 4.31Å; P114-Y166 HydrophobicContact CB-CE1 4.41Å; P114-Y166 HydrophobicContact CG-CD1 4.02Å; P114-Y166 HydrophobicContact CG-CD2 4.23Å; P114-Y166 HydrophobicContact CG-CE1 3.97Å; P114-Y166 HydrophobicContact CG-CE2 4.22Å; P114-Y166 HydrophobicContact CG-CG 4.15Å; C117-Y166 HydrophobicContact CB-CD1 4.12Å; C117-Y166 HydrophobicContact CB-CE1 4.14Å; A147-Y166 HydrophobicContact CB-CD1 3.8Å; A147-Y166 HydrophobicContact CB-CE1 3.42Å; A147-Y166 VanDerWaalsContact CB-CE1 3.42Å; A147-Y166 HydrophobicContact CB-CE2 4.39Å; A147-Y166 HydrophobicContact CB-CG 4.45Å; D148-Y166 PolarHBondContact O-OH 2.61Å; A149-Y166 HydrophobicContact CB-CD2 4.48Å; A149-Y166 HydrophobicContact CB-CE2 4Å; I162-Y166 HydrophobicContact CD1-CE2 4.07Å; I162-Y166 HydrophobicContact CG1-CD2 3.94Å; I162-Y166 HydrophobicContact CG1-CE2 3.84Å; I162-Y166 WeakPolarHBondContact O-CD2 3.45Å; I162-Y166 PolarHBondContact O-N 3.42Å; M163-Y166 PolarHBondContact O-N 3.49Å; R164-Y166 VanDerWaalsContact C-N 3.32Å; R164-Y166 PolarHBondContact O-N 2.86Å; Y166-A169 CarbonylContact O-C 3.37Å; Y166-A169 PolarHBondContact O-N 3.46Å; Y166-G170 PolarHBondContact O-N 2.72Å; Y166-A171 HydrophobicContact CD1-CB 4.16Å; Y166-A171 HydrophobicContact CG-CB 4.39Å; Y166-A171 WeakPolarHBondContact O-CB 3.5Å; Y166-A171 PolarHBondContact O-N 2.87Å; Y166-V174 HydrophobicContact CD2-CG1 3.79Å; Y166-V174 HydrophobicContact CD2-CG2 4.11Å; Y166-V174 HydrophobicContact CE2-CG1 4.16Å; Y166-V174 HydrophobicContact CG-CG2 4.05Å
167I98.7Very high98.7Very high1 Ų127.6 Ų27.61%0.00514%0.139CC..Hα-helixtrans-62.3-46174-71.3167.8000110.4Y42 S45 M163 R164 A169 G170 A211 C214 V216 V218Y42-I167 HydrophobicContact CD1-CG2 3.97Å; Y42-I167 HydrophobicContact CD2-CG2 4Å; Y42-I167 HydrophobicContact CG-CG2 3.65Å; S45-I167 VanDerWaalsContact CB-O 3.28Å; S45-I167 WeakPolarHBondContact CB-O 3.39Å; M163-I167 HydrophobicContact CG-CD1 3.84Å; M163-I167 HydrophobicContact CG-CG1 4.44Å; M163-I167 WeakPolarHBondContact O-CG1 3.36Å; M163-I167 PolarHBondContact O-N 2.97Å; M163-I167 HydrophobicContact SD-CD1 4.05Å; M163-I167 HydrophobicContact SD-CG1 4.16Å; R164-I167 PolarHBondContact O-N 3.24Å; I167-A169 VanDerWaalsContact C-N 3.27Å; I167-A169 PolarHBondContact O-N 3.16Å; I167-G170 PolarHBondContact O-N 2.96Å; I167-A211 HydrophobicContact CD1-CB 4.22Å; I167-C214 HydrophobicContact CD1-CB 3.94Å; I167-C214 HydrophobicContact CG2-CB 3.97Å; I167-V216 HydrophobicContact CD1-CB 4.45Å; I167-V216 HydrophobicContact CG2-CB 4.16Å; I167-V216 HydrophobicContact CG2-CG1 4.36Å; I167-V216 HydrophobicContact CG2-CG2 3.66Å; I167-V218 HydrophobicContact CD1-CG1 4.23Å; I167-V218 HydrophobicContact CG1-CB 4.45Å; I167-V218 HydrophobicContact CG1-CG1 4.39Å
168E98.6Very high98.7Very high103 Ų10320.7 Ų20.748%0.48110%0.102SC..Hα-helixtrans-59.3-38.5174.5-79.3171.4-157.400111.9Y42 R164 A165 G170Y42-E168 HydrophobicContact CD1-CG 4.08Å; Y42-E168 HydrophobicContact CE1-CG 3.51Å; R164-E168 IonicContact CZ-OE1 2.77Å; R164-E168 IonicContact NH2-OE1 3.32Å; R164-E168 PolarHBondContact NH2-OE1 3.41Å; R164-E168 WeakPolarHBondContact O-CB 3.12Å; R164-E168 WeakPolarHBondContact O-CG 3.42Å; R164-E168 PolarHBondContact O-N 3.15Å; A165-E168 PolarHBondContact O-N 3.35Å; E168-G170 VanDerWaalsContact C-N 3.26Å; E168-G170 PolarHBondContact O-N 2.58Å
169A98.7Very high98.7Very high8 Ų817 Ų177%0.0668%0.082CC..THydrogen-bonded Turntrans-75.9-7.6176.400000114.5P114 C117 Q118 N121 A165 Y166 I167P114-A169 HydrophobicContact CB-CB 4.39Å; P114-A169 VanDerWaalsContact O-CB 3.24Å; P114-A169 WeakPolarHBondContact O-CB 3.22Å; C117-A169 HydrophobicContact CB-CB 3.88Å; Q118-A169 HydrophobicContact CB-CB 4.11Å; N121-A169 PolarHBondContact ND2-O 3.43Å; A165-A169 VanDerWaalsContact O-CB 3.3Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 2.9Å; Y166-A169 CarbonylContact O-C 3.37Å; Y166-A169 PolarHBondContact O-N 3.46Å; I167-A169 VanDerWaalsContact C-N 3.27Å; I167-A169 PolarHBondContact O-N 3.16Å
170G98.6Very high98.7Very high1 Ų118.8 Ų18.81%0.019%0.092CC..THydrogen-bonded Turntrans88.723.4176.600000115.5N121 Y166 I167 E168N121-G170 WeakPolarHBondContact ND2-CA 3.45Å; N121-G170 PolarHBondContact ND2-O 3.39Å; N121-G170 VanDerWaalsContact ND2-O 3.08Å; Y166-G170 PolarHBondContact O-N 2.72Å; I167-G170 PolarHBondContact O-N 2.96Å; E168-G170 VanDerWaalsContact C-N 3.26Å; E168-G170 PolarHBondContact O-N 2.58Å
171A98.8Very high98.6Very high0 Ų017.7 Ų17.70%09%0.091CC..  trans-66145.3175.300000111.7S45 Y166 V174S45-A171 WeakPolarHBondContact CB-O 3.4Å; S45-A171 PolarHBondContact OG-O 2.9Å; Y166-A171 HydrophobicContact CD1-CB 4.16Å; Y166-A171 HydrophobicContact CG-CB 4.39Å; Y166-A171 WeakPolarHBondContact O-CB 3.5Å; Y166-A171 PolarHBondContact O-N 2.87Å; A171-V174 HydrophobicContact CB-CG2 4.2Å
172A98.6Very high98.5Very high0 Ų017.5 Ų17.50%010%0.1CC..SBendtrans-95.4-31.4177.400000112.6S48 S49 L52 P144 I145 V218 V219S48-A172 WeakPolarHBondContact O-CB 3.22Å; S48-A172 WeakPolarHBondContact OG-CB 3.42Å; S49-A172 PolarHBondContact OG-O 3.42Å; L52-A172 HydrophobicContact CB-CB 4.09Å; L52-A172 HydrophobicContact CD2-CB 3.92Å; P144-A172 HydrophobicContact CB-CB 3.41Å; P144-A172 VanDerWaalsContact CB-CB 3.41Å; I145-A172 WeakPolarHBondContact O-CB 3.48Å; I145-A172 PolarHBondContact O-N 3.19Å; A172-V218 WeakPolarHBondContact O-CG2 3.38Å; A172-V219 PolarHBondContact O-N 3.32Å
173G98.7Very high98.3Very high0 Ų021.1 Ų21.10%012%0.117CC..EExtended strand (participates in β ladder)trans-144152.7174.100000111.4I145 V146 A147 V219I145-G173 PolarHBondContact O-N 3.3Å; I145-G173 VanDerWaalsContact O-N 3.16Å; V146-G173 CarbonylContact C-O 3.57Å; V146-G173 WeakPolarHBondContact CA-O 3.48Å; A147-G173 PolarHBondContact N-O 2.85Å; G173-V219 CarbonylContact C-O 3.5Å; G173-V219 WeakPolarHBondContact CA-O 3.44Å
174V98.9Very high98.2Very high0 Ų021.2 Ų21.20%012%0.117CC..EExtended strand (participates in β ladder)trans-137.4132.7178.6-173.90000109A147 A149 M163 Y166 A171 Y176 V218 V219 I221A147-V174 CarbonylContact O-C 3.45Å; A147-V174 VanDerWaalsContact O-CA 3.3Å; A147-V174 WeakPolarHBondContact O-CA 3.42Å; A149-V174 HydrophobicContact CB-CG1 3.53Å; M163-V174 HydrophobicContact CE-CB 3.89Å; M163-V174 HydrophobicContact CE-CG1 4.42Å; M163-V174 HydrophobicContact CE-CG2 4.21Å; M163-V174 HydrophobicContact SD-CB 4.17Å; M163-V174 HydrophobicContact SD-CG2 3.82Å; Y166-V174 HydrophobicContact CD2-CG1 3.79Å; Y166-V174 HydrophobicContact CD2-CG2 4.11Å; Y166-V174 HydrophobicContact CE2-CG1 4.16Å; Y166-V174 HydrophobicContact CG-CG2 4.05Å; A171-V174 HydrophobicContact CB-CG2 4.2Å; V174-Y176 HydrophobicContact CB-CE2 4.26Å; V174-Y176 HydrophobicContact CG1-CD2 4.44Å; V174-Y176 HydrophobicContact CG1-CE2 3.66Å; V174-V218 HydrophobicContact CG2-CG2 4.31Å; V174-V219 PolarHBondContact N-O 3.05Å; V174-I221 PolarHBondContact O-N 3.33Å
175H98.8Very high97.9Very high1 Ų119.4 Ų19.41%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-106.4144.5176.475.981.3000113.3Y85 A147 D148 A149 I221 W282Y85-H175 AromaticContact CE2-CD2 3.85Å; Y85-H175 AromaticContact CE2-NE2 3.62Å; Y85-H175 AromaticContact CZ-NE2 3.66Å; Y85-H175 PolarHBondContact OH-NE2 3.44Å; A147-H175 PolarHBondContact O-CD2 3Å; A147-H175 PolarHBondContact O-N 3.23Å; D148-H175 VanDerWaalsContact CA-NE2 3.29Å; D148-H175 WeakPolarHBondContact CA-NE2 3.47Å; D148-H175 VanDerWaalsContact CB-NE2 3.26Å; D148-H175 WeakPolarHBondContact CB-NE2 3.46Å; D148-H175 VanDerWaalsContact CG-NE2 3.26Å; D148-H175 IonicContact OD1-CE1 2.75Å; D148-H175 PolarHBondContact OD1-CE1 3.02Å; D148-H175 IonicContact OD1-ND1 2.76Å; D148-H175 IonicContact OD1-NE2 3.22Å; D148-H175 PolarHBondContact OD1-NE2 3.34Å; D148-H175 IonicContact OD2-CE1 3.95Å; D148-H175 IonicContact OD2-NE2 3.96Å; A149-H175 WeakPolarHBondContact CB-O 3.38Å; A149-H175 PolarHBondContact N-O 3.45Å; H175-I221 WeakPolarHBondContact CA-O 3.35Å; H175-I221 HydrophobicContact CB-CB 3.68Å; H175-I221 HydrophobicContact CB-CG2 4.12Å; H175-W282 AromaticContact CD2-CZ3 3.94Å; H175-W282 AromaticContact CE1-CZ3 3.54Å; H175-W282 AromaticContact CG-CZ3 3.9Å; H175-W282 AromaticContact ND1-CZ3 3.67Å; H175-W282 AromaticContact NE2-CZ3 3.69Å
176Y98.8Very high97.4Very high1 Ų118.4 Ų18.40%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-126.1142.7175-65.8-95.5000109.7A149 E150 C159 I162 M163 V174 A207 I221 R223A149-Y176 HydrophobicContact CB-CD1 3.9Å; A149-Y176 HydrophobicContact CB-CE1 3.5Å; A149-Y176 HydrophobicContact CB-CE2 4.14Å; A149-Y176 HydrophobicContact CB-CG 4.38Å; E150-Y176 WeakPolarHBondContact O-CA 3.33Å; C159-Y176 HydrophobicContact CB-CD1 4.44Å; C159-Y176 HydrophobicContact CB-CE1 3.92Å; C159-Y176 PolarHBondContact O-OH 2.97Å; I162-Y176 HydrophobicContact CG2-CE1 3.9Å; I162-Y176 WeakPolarHBondContact CG2-OH 3.24Å; M163-Y176 WeakPolarHBondContact CB-OH 3.34Å; M163-Y176 HydrophobicContact CE-CE2 3.81Å; M163-Y176 PolarHBondContact N-OH 3.16Å; V174-Y176 HydrophobicContact CB-CE2 4.26Å; V174-Y176 HydrophobicContact CG1-CD2 4.44Å; V174-Y176 HydrophobicContact CG1-CE2 3.66Å; Y176-A207 HydrophobicContact CD2-CB 4.18Å; Y176-A207 HydrophobicContact CE2-CB 3.59Å; Y176-I221 PolarHBondContact N-O 3.37Å; Y176-I221 VanDerWaalsContact N-O 3.07Å; Y176-R223 WeakPolarHBondContact O-CB 3.43Å; Y176-R223 PolarHBondContact O-N 2.91Å
177E98.6Very high96.3Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-116.4149.4179.172.6-158.3-159.200113.3E150 A151 Q179 K184 H200 R223E150-E177 PolarHBondContact O-N 2.84Å; A151-E177 HydrophobicContact CB-CG 4.45Å; E177-Q179 HydrophobicContact CG-CB 4.24Å; E177-Q179 HydrophobicContact CG-CG 4.18Å; E177-Q179 PolarHBondContact O-N 2.99Å; E177-Q179 PolarHBondContact OE1-NE2 3.26Å; E177-K184 WeakPolarHBondContact OE1-CE 3.33Å; E177-K184 WeakPolarHBondContact OE1-CG 3.26Å; E177-K184 IonicContact OE1-NZ 3.39Å; E177-K184 PolarHBondContact OE1-NZ 2.9Å; E177-K184 VanDerWaalsContact OE1-NZ 3.12Å; E177-H200 VanDerWaalsContact C-NE2 3.33Å; E177-H200 PolarHBondContact O-NE2 2.68Å; E177-R223 WeakPolarHBondContact CA-O 3.41Å; E177-R223 HydrophobicContact CB-CB 3.87Å; E177-R223 HydrophobicContact CB-CG 3.72Å; E177-R223 WeakPolarHBondContact OE2-CD 3.5Å; E177-R223 IonicContact OE2-CZ 3.97Å; E177-R223 IonicContact OE2-NE 3.73Å; E177-R223 PolarHBondContact OE2-NE 3.13Å; E177-R223 IonicContact OE2-NH1 2.99Å; E177-R223 PolarHBondContact OE2-NH1 3.26Å; E177-R223 IonicContact OE2-NH2 2.63Å
178D98.6Very high95.5Very high0 Ų020.8 Ų20.80%011%0.114CC..SBendtrans-81.329.9-17563.5-6.8000114.2L194 I195 H200 R223 T224 D225 R270 Y274D178-L194 CarbonylContact O-C 3.41Å; D178-L194 VanDerWaalsContact O-CA 3.31Å; D178-L194 WeakPolarHBondContact O-CA 3.29Å; D178-I195 WeakPolarHBondContact O-CG1 3.31Å; D178-I195 PolarHBondContact O-N 2.85Å; D178-H200 HydrophobicContact CB-CB 3.89Å; D178-R223 PolarHBondContact N-O 3.41Å; D178-T224 VanDerWaalsContact OD1-CA 3.29Å; D178-T224 WeakPolarHBondContact OD1-CA 3.32Å; D178-T224 WeakPolarHBondContact OD2-CB 3.42Å; D178-T224 PolarHBondContact OD2-OG1 3.32Å; D178-D225 PolarHBondContact OD1-N 3.4Å; D178-R270 WeakPolarHBondContact OD2-CD 3.27Å; D178-R270 IonicContact OD2-CZ 3.23Å; D178-R270 IonicContact OD2-NE 3.48Å; D178-R270 IonicContact OD2-NH1 3.46Å; D178-R270 PolarHBondContact OD2-NH1 3.35Å; D178-Y274 HydrophobicContact CB-CE2 4.45Å; D178-Y274 PolarHBondContact OD2-OH 2.93Å
179Q98.4Very high94.5Very high1 Ų119.9 Ų19.91%0.00511%0.112CC..BIsolated β-bridgetrans-88.1159.6173.4-65-169.44700112.2A151 E177 A181 K185 V193 D225A151-Q179 HydrophobicContact CB-CB 4.36Å; A151-Q179 WeakPolarHBondContact CB-O 3.31Å; E177-Q179 HydrophobicContact CG-CB 4.24Å; E177-Q179 HydrophobicContact CG-CG 4.18Å; E177-Q179 PolarHBondContact O-N 2.99Å; E177-Q179 PolarHBondContact OE1-NE2 3.26Å; Q179-A181 PolarHBondContact O-N 3.07Å; Q179-K185 PolarHBondContact NE2-O 2.83Å; Q179-K185 VanDerWaalsContact NE2-O 3.08Å; Q179-K185 PolarHBondContact OE1-O 3.39Å; Q179-V193 CarbonylContact C-O 3.57Å; Q179-V193 WeakPolarHBondContact CA-O 3.27Å; Q179-D225 HydrophobicContact CG-CB 3.92Å; Q179-D225 PolarHBondContact NE2-OD1 2.76Å; Q179-D225 PolarHBondContact NE2-OD2 2.89Å
180L98.2Very high93.8Very high38 Ų3822.5 Ų22.520%0.19914%0.139CC..  trans-75118168174.563.9000109.6S182 E183 K184 V193 I195 T233 F255L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 WeakPolarHBondContact CG-OG 3.46Å; L180-S182 PolarHBondContact O-N 3.27Å; L180-E183 HydrophobicContact CB-CB 4.45Å; L180-E183 HydrophobicContact CD2-CB 3.99Å; L180-E183 HydrophobicContact CD2-CG 3.94Å; L180-E183 HydrophobicContact CG-CB 4.29Å; L180-E183 CarbonylContact O-C 3.58Å; L180-E183 WeakPolarHBondContact O-CA 3.31Å; L180-E183 PolarHBondContact O-N 3.41Å; L180-K184 PolarHBondContact O-N 2.86Å; L180-V193 HydrophobicContact CB-CB 4.23Å; L180-V193 HydrophobicContact CB-CG1 4.33Å; L180-V193 HydrophobicContact CD2-CG1 4.37Å; L180-V193 PolarHBondContact N-O 2.72Å; L180-I195 HydrophobicContact CB-CG2 4.05Å; L180-I195 HydrophobicContact CD1-CG2 4.29Å; L180-T233 HydrophobicContact CB-CG2 4.15Å; L180-T233 HydrophobicContact CD1-CG2 4.27Å; L180-T233 HydrophobicContact CD2-CG2 3.77Å; L180-T233 HydrophobicContact CG-CG2 4.28Å; L180-F255 HydrophobicContact CD2-CE1 4.08Å; L180-F255 HydrophobicContact CD2-CZ 4.05Å
181A96.7Very high93.4Very high15 Ų1524.4 Ų24.412%0.12416%0.159CC..G310 helixtrans-57.6-38.2-175.200000114.8A151 G154 Q179 E183 K184A151-A181 HydrophobicContact CB-CB 3.85Å; G154-A181 VanDerWaalsContact N-CB 3.31Å; Q179-A181 PolarHBondContact O-N 3.07Å; A181-E183 PolarHBondContact O-N 3.36Å; A181-K184 PolarHBondContact O-N 3.1Å
182S96.3Very high93.3Very high95 Ų9524.5 Ų24.566%0.66416%0.159SC*.G310 helixtrans-69.9-13.617860.80000113.6L180L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 WeakPolarHBondContact CG-OG 3.46Å; L180-S182 PolarHBondContact O-N 3.27Å
183E95.9Very high93.2Very high84 Ų8424.6 Ų24.639%0.39316%0.16SC..G310 helixtrans-133.332-177.9-68.9-63159.700110.2L180 A181 K185 V193 F255L180-E183 HydrophobicContact CB-CB 4.45Å; L180-E183 HydrophobicContact CD2-CB 3.99Å; L180-E183 HydrophobicContact CD2-CG 3.94Å; L180-E183 HydrophobicContact CG-CB 4.29Å; L180-E183 CarbonylContact O-C 3.58Å; L180-E183 WeakPolarHBondContact O-CA 3.31Å; L180-E183 PolarHBondContact O-N 3.41Å; A181-E183 PolarHBondContact O-N 3.36Å; E183-K185 VanDerWaalsContact C-NZ 3.3Å; E183-K185 WeakPolarHBondContact O-CD 3.3Å; E183-K185 WeakPolarHBondContact O-CE 3.36Å; E183-K185 PolarHBondContact O-NZ 2.98Å; E183-K185 IonicContact OE2-NZ 2.94Å; E183-K185 PolarHBondContact OE2-NZ 3.34Å; E183-V193 HydrophobicContact CB-CG2 4.25Å; E183-F255 HydrophobicContact CG-CZ 4.5Å
184K96.1Very high93.2Very high2 Ų224.6 Ų24.61%0.00916%0.16CC..  trans-68.5137.6-179.6-176.6-91.2-165.1-111.30109.9D104 Q105 S106 E150 A151 E177 L180 A181D104-K184 WeakPolarHBondContact OD1-CE 3.29Å; D104-K184 IonicContact OD1-NZ 3.2Å; D104-K184 PolarHBondContact OD1-NZ 3.45Å; D104-K184 IonicContact OD2-NZ 2.91Å; D104-K184 PolarHBondContact OD2-NZ 3.37Å; Q105-K184 WeakPolarHBondContact CA-O 3.37Å; Q105-K184 WeakPolarHBondContact CB-O 3.47Å; S106-K184 VanDerWaalsContact OG-CB 3.23Å; S106-K184 WeakPolarHBondContact OG-CB 3.11Å; S106-K184 VanDerWaalsContact OG-CD 3.3Å; S106-K184 WeakPolarHBondContact OG-CD 3.33Å; S106-K184 VanDerWaalsContact OG-CG 3.28Å; S106-K184 WeakPolarHBondContact OG-CG 3.31Å; E150-K184 VanDerWaalsContact CD-CE 3.43Å; E150-K184 WeakPolarHBondContact OE1-CE 3.47Å; A151-K184 HydrophobicContact CB-CG 4.4Å; E177-K184 WeakPolarHBondContact OE1-CE 3.33Å; E177-K184 WeakPolarHBondContact OE1-CG 3.26Å; E177-K184 IonicContact OE1-NZ 3.39Å; E177-K184 PolarHBondContact OE1-NZ 2.9Å; E177-K184 VanDerWaalsContact OE1-NZ 3.12Å; L180-K184 PolarHBondContact O-N 2.86Å; A181-K184 PolarHBondContact O-N 3.1Å
185K92.3Very high93.2Very high26 Ų2625.5 Ų25.511%0.11317%0.165CC..  trans-128.6163.5172.8-75.571.3171.3165.70110D104 Q179 E183 L189 G191 K192D104-K185 CarbonylContact O-C 3.52Å; D104-K185 WeakPolarHBondContact O-CA 3.19Å; Q179-K185 PolarHBondContact NE2-O 2.83Å; Q179-K185 VanDerWaalsContact NE2-O 3.08Å; Q179-K185 PolarHBondContact OE1-O 3.39Å; E183-K185 VanDerWaalsContact C-NZ 3.3Å; E183-K185 WeakPolarHBondContact O-CD 3.3Å; E183-K185 WeakPolarHBondContact O-CE 3.36Å; E183-K185 PolarHBondContact O-NZ 2.98Å; E183-K185 IonicContact OE2-NZ 2.94Å; E183-K185 PolarHBondContact OE2-NZ 3.34Å; K185-L189 HydrophobicContact CB-CB 4.27Å; K185-G191 WeakPolarHBondContact CE-O 3.39Å; K185-K192 HydrophobicContact CB-CG 3.97Å
186C88.3Confident93.2Very high10 Ų1025.7 Ų25.77%0.06817%0.166CC..  trans-53.9140.5162.2-173.70000110.3D104 H188 L189D104-C186 HydrophobicContact CB-CB 4.03Å; D104-C186 PolarHBondContact O-N 3.25Å; D104-C186 WeakPolarHBondContact OD2-CA 3.35Å; D104-C186 WeakPolarHBondContact OD2-CB 3.45Å; D104-C186 PolarHBondContact OD2-SG 3.03Å; C186-H188 PolarHBondContact O-N 3.1Å; C186-L189 HydrophobicContact CB-CB 4.41Å; C186-L189 HydrophobicContact CB-CD1 3.83Å; C186-L189 HydrophobicContact CB-CG 3.89Å; C186-L189 PolarHBondContact O-N 2.68Å
187G76Confident93.2Very high1 Ų125.7 Ų25.71%0.0117%0.166CC..THydrogen-bonded Turntrans-55.2-20.417800000114.8K192 D225G187-K192 PolarHBondContact O-NZ 2.7Å; G187-D225 VanDerWaalsContact CA-OD1 3.31Å; G187-D225 WeakPolarHBondContact CA-OD1 3.28Å
188H81.3Confident93.2Very high51 Ų5127.6 Ų27.624%0.23618%0.179CC..THydrogen-bonded Turntrans-102.96.1-177.8-5482.4000113.2C186 E284 T285 N312 S314 F317C186-H188 PolarHBondContact O-N 3.1Å; H188-E284 IonicContact CE1-OE1 2.68Å; H188-E284 PolarHBondContact CE1-OE1 2.88Å; H188-E284 IonicContact CE1-OE2 3.48Å; H188-E284 IonicContact ND1-OE1 3.51Å; H188-E284 IonicContact NE2-OE2 3.55Å; H188-T285 PolarHBondContact NE2-O 3.01Å; H188-N312 PolarHBondContact CE1-ND2 3.37Å; H188-S314 PolarHBondContact CE1-OG 2.88Å; H188-S314 WeakPolarHBondContact NE2-CB 3.12Å; H188-S314 PolarHBondContact NE2-OG 3.09Å; H188-F317 AromaticContact CD2-CE1 3.47Å; H188-F317 VanDerWaalsContact CD2-CE1 3.47Å; H188-F317 WeakPolarHBondContact CD2-CE1 3.46Å; H188-F317 AromaticContact NE2-CE1 3.4Å; H188-F317 WeakPolarHBondContact NE2-CE1 3.49Å; H188-F317 AromaticContact NE2-CZ 3.53Å
189L78.2Confident93.2Very high84 Ų8428.5 Ų28.544%0.4419%0.186SC..SBendtrans-99.9154172.6-68.3175.4000111.2K185 C186K185-L189 HydrophobicContact CB-CB 4.27Å; C186-L189 HydrophobicContact CB-CB 4.41Å; C186-L189 HydrophobicContact CB-CD1 3.83Å; C186-L189 HydrophobicContact CB-CG 3.89Å; C186-L189 PolarHBondContact O-N 2.68Å
190G83.6Confident93.2Very high62 Ų6228.5 Ų28.564%0.63919%0.186SC*.SBendtrans-72.1171.3169.100000112.7
191G90.8Very high93.3Very high42 Ų4227.5 Ų27.543%0.43318%0.18SC..  trans77.416.817400000115.5K185K185-G191 WeakPolarHBondContact CE-O 3.39Å
192K95.6Very high93.4Very high1 Ų133.6 Ų33.60%0.00420%0.2CC..  trans-66.5135.1172.6-66.3-177.9-59.7-178.60111K185 G187 D225 S228 A229K185-K192 HydrophobicContact CB-CG 3.97Å; G187-K192 PolarHBondContact O-NZ 2.7Å; K192-D225 HydrophobicContact CD-CB 4.16Å; K192-D225 PolarHBondContact NZ-O 3.33Å; K192-D225 IonicContact NZ-OD1 3.48Å; K192-D225 PolarHBondContact NZ-OD1 2.68Å; K192-S228 WeakPolarHBondContact CE-OG 3.48Å; K192-S228 PolarHBondContact NZ-OG 3Å; K192-A229 HydrophobicContact CB-CB 3.99Å
193V98Very high93.5Very high3 Ų329.5 Ų29.52%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-114.7118.1176.1-172.50000108.6Q179 L180 E183 L231 T233 F255Q179-V193 CarbonylContact C-O 3.57Å; Q179-V193 WeakPolarHBondContact CA-O 3.27Å; L180-V193 HydrophobicContact CB-CB 4.23Å; L180-V193 HydrophobicContact CB-CG1 4.33Å; L180-V193 HydrophobicContact CD2-CG1 4.37Å; L180-V193 PolarHBondContact N-O 2.72Å; E183-V193 HydrophobicContact CB-CG2 4.25Å; V193-L231 WeakPolarHBondContact CA-O 3.36Å; V193-L231 HydrophobicContact CB-CB 4.31Å; V193-L231 HydrophobicContact CG1-CB 4.18Å; V193-L231 HydrophobicContact CG2-CB 3.98Å; V193-L231 HydrophobicContact CG2-CD1 3.98Å; V193-T233 HydrophobicContact CG1-CG2 3.63Å; V193-F255 HydrophobicContact CG1-CD1 4Å; V193-F255 HydrophobicContact CG1-CD2 4.31Å; V193-F255 HydrophobicContact CG1-CE1 4.14Å; V193-F255 HydrophobicContact CG1-CE2 4.44Å; V193-F255 HydrophobicContact CG1-CG 4.07Å; V193-F255 HydrophobicContact CG1-CZ 4.36Å; V193-F255 HydrophobicContact CG2-CD2 4.07Å; V193-F255 HydrophobicContact CG2-CE2 3.97Å; V193-F255 HydrophobicContact CG2-CZ 4.45Å
194L98.6Very high93.6Very high0 Ų025.5 Ų25.50%015%0.152CC..EExtended strand (participates in β ladder)trans-77.1149.6175.3-59.2-179.3000111.3D178 D225 A226 A229 L231 I232 T233 L258D178-L194 CarbonylContact O-C 3.41Å; D178-L194 VanDerWaalsContact O-CA 3.31Å; D178-L194 WeakPolarHBondContact O-CA 3.29Å; L194-D225 HydrophobicContact CD2-CB 4.14Å; L194-A226 HydrophobicContact CD1-CB 3.66Å; L194-A229 HydrophobicContact CD1-CB 4.04Å; L194-A229 HydrophobicContact CD2-CB 3.68Å; L194-A229 HydrophobicContact CG-CB 3.59Å; L194-L231 PolarHBondContact N-O 2.85Å; L194-I232 HydrophobicContact CB-CB 4.25Å; L194-I232 HydrophobicContact CB-CG1 4.05Å; L194-I232 WeakPolarHBondContact O-CA 3.41Å; L194-I232 WeakPolarHBondContact O-CG1 3.34Å; L194-T233 PolarHBondContact O-N 2.91Å; L194-L258 HydrophobicContact CD1-CD1 3.73Å; L194-L258 HydrophobicContact CG-CD1 4.35Å
195I98.7Very high93.7Very high18 Ų1826.5 Ų26.59%0.09216%0.158CC..PPolyproline II helixtrans-89.7159.6160.462.3175.3000110.6D178 L180 H200 R270D178-I195 WeakPolarHBondContact O-CG1 3.31Å; D178-I195 PolarHBondContact O-N 2.85Å; L180-I195 HydrophobicContact CB-CG2 4.05Å; L180-I195 HydrophobicContact CD1-CG2 4.29Å; I195-H200 HydrophobicContact CD1-CB 3.98Å; I195-H200 HydrophobicContact CG1-CB 4.2Å; I195-R270 PolarHBondContact O-NH1 3.02Å; I195-R270 PolarHBondContact O-NH2 3.45Å; I195-R270 VanDerWaalsContact O-NH2 3.1Å
196P98.7Very high94Very high5 Ų525.7 Ų25.73%0.03216%0.157CC..PPolyproline II helixtrans-58.7148.3176.3-24.834.1000111.6S198 S199 H200 T233 I236 D237 D240P196-S198 VanDerWaalsContact C-N 3.26Å; P196-S198 PolarHBondContact O-N 2.98Å; P196-S199 WeakPolarHBondContact O-CA 3.43Å; P196-S199 WeakPolarHBondContact O-CB 3.48Å; P196-S199 PolarHBondContact O-N 3.47Å; P196-H200 PolarHBondContact O-N 3.04Å; P196-H200 VanDerWaalsContact O-N 3.14Å; P196-T233 WeakPolarHBondContact CD-OG1 3.35Å; P196-I236 HydrophobicContact CB-CG2 4.13Å; P196-I236 HydrophobicContact CG-CG2 3.95Å; P196-D237 HydrophobicContact CB-CB 4.05Å; P196-D240 VanDerWaalsContact CA-OD2 3.24Å; P196-D240 WeakPolarHBondContact CA-OD2 3.45Å
197T98.8Very high94.5Very high1 Ų125.2 Ų25.21%0.00615%0.154CC..Hα-helixtrans-51.9-44.6-179.2-72.30000112S199 H200 I201 R239 D240 A273 Y274T197-S199 VanDerWaalsContact C-N 3.32Å; T197-S199 PolarHBondContact O-N 3.07Å; T197-H200 PolarHBondContact O-N 3.11Å; T197-I201 HydrophobicContact CG2-CD1 4.13Å; T197-I201 WeakPolarHBondContact O-CG1 3.37Å; T197-I201 PolarHBondContact O-N 3.13Å; T197-R239 VanDerWaalsContact CG2-CZ 3.5Å; T197-D240 PolarHBondContact N-OD2 3.31Å; T197-D240 PolarHBondContact OG1-OD1 3.38Å; T197-A273 HydrophobicContact CG2-CB 3.71Å; T197-Y274 HydrophobicContact CG2-CD1 4.42Å; T197-Y274 HydrophobicContact CG2-CE1 3.66Å
198S98.4Very high95.6Very high40 Ų4025.4 Ų25.428%0.2815%0.154SC..Hα-helixtrans-61.7-34.2174.547.50000113.9P196 I201 R202 D237P196-S198 VanDerWaalsContact C-N 3.26Å; P196-S198 PolarHBondContact O-N 2.98Å; S198-I201 PolarHBondContact O-N 3.33Å; S198-R202 WeakPolarHBondContact O-CG 3.26Å; S198-R202 PolarHBondContact O-N 3.37Å; S198-R202 VanDerWaalsContact O-N 3.1Å; S198-D237 WeakPolarHBondContact CA-OD2 3.37Å; S198-D237 WeakPolarHBondContact CB-OD2 3.22Å; S198-D237 PolarHBondContact N-OD2 2.94Å; S198-D237 PolarHBondContact OG-OD2 3.26Å
199S98.7Very high96.4Very high20 Ų2024.5 Ų24.514%0.1415%0.151CC..Hα-helixtrans-68.7-43.1176.7-65.60000111.3P196 T197 I201 R202 N203P196-S199 WeakPolarHBondContact O-CA 3.43Å; P196-S199 WeakPolarHBondContact O-CB 3.48Å; P196-S199 PolarHBondContact O-N 3.47Å; T197-S199 VanDerWaalsContact C-N 3.32Å; T197-S199 PolarHBondContact O-N 3.07Å; S199-I201 VanDerWaalsContact C-N 3.34Å; S199-I201 PolarHBondContact O-N 3.31Å; S199-R202 WeakPolarHBondContact O-CB 3.37Å; S199-R202 PolarHBondContact O-N 2.97Å; S199-R202 VanDerWaalsContact O-N 3.11Å; S199-R202 PolarHBondContact OG-NH2 2.75Å; S199-N203 PolarHBondContact O-N 3.26Å; S199-N203 VanDerWaalsContact O-N 3.13Å
200H98.8Very high97.4Very high0 Ų020.5 Ų20.50%013%0.13CC..Hα-helixtrans-66.6-36175.1-166.5-136.7000112.3E177 D178 I195 P196 T197 R202 N203 L204 C222 R223 Y274E177-H200 VanDerWaalsContact C-NE2 3.33Å; E177-H200 PolarHBondContact O-NE2 2.68Å; D178-H200 HydrophobicContact CB-CB 3.89Å; I195-H200 HydrophobicContact CD1-CB 3.98Å; I195-H200 HydrophobicContact CG1-CB 4.2Å; P196-H200 PolarHBondContact O-N 3.04Å; P196-H200 VanDerWaalsContact O-N 3.14Å; T197-H200 PolarHBondContact O-N 3.11Å; H200-R202 VanDerWaalsContact C-N 3.25Å; H200-R202 PolarHBondContact O-N 3.14Å; H200-N203 WeakPolarHBondContact O-CB 3.26Å; H200-N203 PolarHBondContact O-N 3.02Å; H200-L204 WeakPolarHBondContact O-CG 3.36Å; H200-L204 PolarHBondContact O-N 3.35Å; H200-C222 PolarHBondContact CE1-SG 2.94Å; H200-R223 PolarHBondContact CE1-O 3.39Å; H200-Y274 HydrophobicContact CB-CE1 4.03Å; H200-Y274 AromaticContact ND1-CE1 3.93Å; H200-Y274 AromaticContact ND1-CE2 3.61Å; H200-Y274 AromaticContact ND1-CZ 3.61Å
201I98.8Very high98Very high17 Ų1717.6 Ų17.69%0.08710%0.1CC..Hα-helixtrans-58.6-37.3171.5-70.2168.4000111.6T197 S198 S199 T205 Y274 Y277T197-I201 HydrophobicContact CG2-CD1 4.13Å; T197-I201 WeakPolarHBondContact O-CG1 3.37Å; T197-I201 PolarHBondContact O-N 3.13Å; S198-I201 PolarHBondContact O-N 3.33Å; S199-I201 VanDerWaalsContact C-N 3.34Å; S199-I201 PolarHBondContact O-N 3.31Å; I201-T205 VanDerWaalsContact O-CB 3.26Å; I201-T205 WeakPolarHBondContact O-CB 3.41Å; I201-T205 PolarHBondContact O-N 3.19Å; I201-T205 PolarHBondContact O-OG1 2.98Å; I201-Y274 HydrophobicContact CD1-CD1 4.39Å; I201-Y274 HydrophobicContact CG1-CD1 3.78Å; I201-Y274 HydrophobicContact CG1-CE1 4.1Å; I201-Y277 HydrophobicContact CD1-CD2 4.43Å; I201-Y277 HydrophobicContact CD1-CE2 4.09Å; I201-Y277 HydrophobicContact CG1-CD2 4.09Å; I201-Y277 HydrophobicContact CG1-CE2 4.19Å; I201-Y277 HydrophobicContact CG2-CD1 4.08Å; I201-Y277 HydrophobicContact CG2-CD2 3.89Å; I201-Y277 HydrophobicContact CG2-CE1 3.89Å; I201-Y277 HydrophobicContact CG2-CE2 3.71Å; I201-Y277 HydrophobicContact CG2-CG 4.06Å
202R98.6Very high98.3Very high144 Ų14415.6 Ų15.654%0.5438%0.079SC..Hα-helixtrans-64.8-40.4173.9-71.4-176.1-68.3168.8-0.3111.9P156 S198 S199 H200 T205 A206P156-R202 HydrophobicContact CG-CB 3.85Å; S198-R202 WeakPolarHBondContact O-CG 3.26Å; S198-R202 PolarHBondContact O-N 3.37Å; S198-R202 VanDerWaalsContact O-N 3.1Å; S199-R202 WeakPolarHBondContact O-CB 3.37Å; S199-R202 PolarHBondContact O-N 2.97Å; S199-R202 VanDerWaalsContact O-N 3.11Å; S199-R202 PolarHBondContact OG-NH2 2.75Å; H200-R202 VanDerWaalsContact C-N 3.25Å; H200-R202 PolarHBondContact O-N 3.14Å; R202-T205 WeakPolarHBondContact O-CB 3.5Å; R202-T205 PolarHBondContact O-N 2.7Å; R202-A206 WeakPolarHBondContact O-CB 3.41Å; R202-A206 PolarHBondContact O-N 3.35Å
203N98.7Very high98.4Very high8 Ų816.4 Ų16.44%0.0438%0.084CC..Hα-helixtrans-62.7-48.4176.2-68.8-0000111.4C159 S199 H200 T205 A206 A207C159-N203 HydrophobicContact CB-CB 4.37Å; C159-N203 VanDerWaalsContact SG-CB 3.52Å; S199-N203 PolarHBondContact O-N 3.26Å; S199-N203 VanDerWaalsContact O-N 3.13Å; H200-N203 WeakPolarHBondContact O-CB 3.26Å; H200-N203 PolarHBondContact O-N 3.02Å; N203-T205 VanDerWaalsContact C-N 3.31Å; N203-T205 PolarHBondContact O-N 3.08Å; N203-A206 PolarHBondContact O-N 2.72Å; N203-A207 PolarHBondContact O-N 3.4Å
204L98.8Very high98.3Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-61.3-39.3175.6-63.5171.3000112.2H200 A207 R208 I220 C222 Y274H200-L204 WeakPolarHBondContact O-CG 3.36Å; H200-L204 PolarHBondContact O-N 3.35Å; L204-A207 PolarHBondContact O-N 3.07Å; L204-R208 PolarHBondContact O-N 3.12Å; L204-I220 HydrophobicContact CD2-CG2 3.98Å; L204-C222 HydrophobicContact CD1-CB 3.9Å; L204-C222 HydrophobicContact CD2-CB 3.82Å; L204-Y274 HydrophobicContact CD1-CD1 4.36Å; L204-Y274 HydrophobicContact CD1-CG 4.29Å
205T98.6Very high98.2Very high23 Ų2316.8 Ų16.814%0.1419%0.088CC..Hα-helixtrans-62.9-44175.3-650000111.3P25 Y26 I201 R202 N203 R208 L209P25-T205 HydrophobicContact CG-CG2 3.3Å; Y26-T205 HydrophobicContact CD1-CG2 4.08Å; Y26-T205 HydrophobicContact CE1-CG2 3.87Å; I201-T205 VanDerWaalsContact O-CB 3.26Å; I201-T205 WeakPolarHBondContact O-CB 3.41Å; I201-T205 PolarHBondContact O-N 3.19Å; I201-T205 PolarHBondContact O-OG1 2.98Å; R202-T205 WeakPolarHBondContact O-CB 3.5Å; R202-T205 PolarHBondContact O-N 2.7Å; N203-T205 VanDerWaalsContact C-N 3.31Å; N203-T205 PolarHBondContact O-N 3.08Å; T205-R208 PolarHBondContact O-N 3.46Å; T205-L209 WeakPolarHBondContact O-CB 3.31Å; T205-L209 PolarHBondContact O-N 3.17Å
206A98.8Very high98.1Very high10 Ų1016 Ų168%0.0838%0.084CC..Hα-helixtrans-64.9-41178.300000111.8P156 C159 R202 N203 L209 A210P156-A206 HydrophobicContact CB-CB 3.94Å; P156-A206 WeakPolarHBondContact O-CB 3.17Å; C159-A206 HydrophobicContact CB-CB 4.32Å; R202-A206 WeakPolarHBondContact O-CB 3.41Å; R202-A206 PolarHBondContact O-N 3.35Å; N203-A206 PolarHBondContact O-N 2.72Å; A206-L209 PolarHBondContact O-N 3.16Å; A206-A210 PolarHBondContact O-N 3.12Å
207A98.8Very high98Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-59.3-44.5171.800000112M163 Y176 N203 L204 L209 A210 A211 I220M163-A207 HydrophobicContact CE-CB 3.71Å; M163-A207 WeakPolarHBondContact CG-O 3.36Å; Y176-A207 HydrophobicContact CD2-CB 4.18Å; Y176-A207 HydrophobicContact CE2-CB 3.59Å; N203-A207 PolarHBondContact O-N 3.4Å; L204-A207 PolarHBondContact O-N 3.07Å; A207-L209 PolarHBondContact O-N 2.92Å; A207-A210 PolarHBondContact O-N 3.19Å; A207-A211 PolarHBondContact O-N 3.34Å; A207-I220 HydrophobicContact CB-CD1 4.03Å
208R98.4Very high97.9Very high5 Ų515.8 Ų15.82%0.0198%0.082CC..Hα-helixtrans-65.7-38.2175.3-17557.970.1-156.6-0.1112.1R24 Y26 L204 T205 A211 D212 V218 I220 D279R24-R208 HydrophobicContact CG-CG 4.45Å; Y26-R208 WeakPolarHBondContact OH-CG 3.5Å; Y26-R208 PolarHBondContact OH-O 3.34Å; L204-R208 PolarHBondContact O-N 3.12Å; T205-R208 PolarHBondContact O-N 3.46Å; R208-A211 WeakPolarHBondContact O-CB 3.16Å; R208-A211 PolarHBondContact O-N 3.44Å; R208-D212 VanDerWaalsContact O-CG 3.22Å; R208-D212 PolarHBondContact O-N 3.42Å; R208-V218 PolarHBondContact NH1-O 2.92Å; R208-I220 HydrophobicContact CB-CD1 3.85Å; R208-I220 VanDerWaalsContact CZ-CD1 3.48Å; R208-D279 IonicContact CZ-OD2 3.78Å; R208-D279 IonicContact NH1-OD2 2.82Å; R208-D279 IonicContact NH2-OD1 3.84Å; R208-D279 PolarHBondContact NH2-OD1 2.96Å; R208-D279 IonicContact NH2-OD2 3.92Å; R208-D279 PolarHBondContact NH2-OD2 3.49Å
209L98.4Very high97.9Very high32 Ų3213.9 Ų13.917%0.1687%0.069CC..Hα-helixtrans-64.2-42.4177.5-178.561.1000111.1Y26 V31 L34 Y160 T205 A206 A207 A211 D212 V213Y26-L209 HydrophobicContact CD1-CB 4.41Å; Y26-L209 HydrophobicContact CD1-CD1 4.19Å; Y26-L209 HydrophobicContact CD2-CD1 3.81Å; Y26-L209 HydrophobicContact CE1-CB 3.75Å; Y26-L209 HydrophobicContact CE1-CD1 4.07Å; Y26-L209 HydrophobicContact CE1-CG 4.4Å; Y26-L209 HydrophobicContact CE2-CD1 3.68Å; Y26-L209 HydrophobicContact CG-CD1 4.07Å; Y26-L209 VanDerWaalsContact OH-CA 3.27Å; Y26-L209 WeakPolarHBondContact OH-CA 3.4Å; Y26-L209 PolarHBondContact OH-N 2.93Å; V31-L209 HydrophobicContact CG2-CD1 3.97Å; L34-L209 HydrophobicContact CD1-CD1 4.49Å; L34-L209 HydrophobicContact CD1-CD2 4.2Å; Y160-L209 HydrophobicContact CD2-CB 4.43Å; Y160-L209 HydrophobicContact CD2-CG 4.4Å; Y160-L209 HydrophobicContact CE2-CB 4.43Å; Y160-L209 HydrophobicContact CE2-CD2 4.4Å; Y160-L209 HydrophobicContact CE2-CG 4.05Å; T205-L209 WeakPolarHBondContact O-CB 3.31Å; T205-L209 PolarHBondContact O-N 3.17Å; A206-L209 PolarHBondContact O-N 3.16Å; A207-L209 PolarHBondContact O-N 2.92Å; L209-A211 VanDerWaalsContact C-N 3.35Å; L209-D212 PolarHBondContact O-N 3.05Å; L209-V213 HydrophobicContact CD1-CG2 4.19Å; L209-V213 HydrophobicContact CG-CG2 4.42Å; L209-V213 VanDerWaalsContact O-CB 3.29Å; L209-V213 WeakPolarHBondContact O-CB 3.3Å; L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 3.08Å
210A98.2Very high97.9Very high0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-57.7-47.517300000111.5Y160 M163 R164 A206 A207 V213 C214Y160-A210 HydrophobicContact CD2-CB 3.57Å; Y160-A210 HydrophobicContact CE2-CB 3.75Å; Y160-A210 HydrophobicContact CG-CB 4.05Å; Y160-A210 WeakPolarHBondContact O-CB 3.02Å; M163-A210 HydrophobicContact CB-CB 3.67Å; M163-A210 HydrophobicContact CG-CB 3.62Å; R164-A210 HydrophobicContact CG-CB 3.87Å; A206-A210 PolarHBondContact O-N 3.12Å; A207-A210 PolarHBondContact O-N 3.19Å; A210-V213 PolarHBondContact O-N 3.27Å; A210-C214 WeakPolarHBondContact O-CB 3.27Å; A210-C214 PolarHBondContact O-N 3.04Å; A210-C214 PolarHBondContact O-SG 3.37Å
211A97.8Very high97.9Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-60.4-46.5177.100000113.2I167 A207 R208 L209 C214 G215 V216 V218I167-A211 HydrophobicContact CD1-CB 4.22Å; A207-A211 PolarHBondContact O-N 3.34Å; R208-A211 WeakPolarHBondContact O-CB 3.16Å; R208-A211 PolarHBondContact O-N 3.44Å; L209-A211 VanDerWaalsContact C-N 3.35Å; A211-C214 PolarHBondContact O-N 3.23Å; A211-G215 PolarHBondContact O-N 3.28Å; A211-V216 PolarHBondContact O-N 3.26Å; A211-V218 HydrophobicContact CB-CG1 3.52Å
212D96.6Very high97.9Very high1 Ų112.3 Ų12.31%0.0056%0.059CC..Hα-helixtrans-66.4-38.1178.8-63.5-31.8000111.2F7 I11 R24 Y26 V31 R208 L209 G215F7-D212 HydrophobicContact CD1-CB 4.49Å; I11-D212 VanDerWaalsContact CD1-OD1 3.31Å; I11-D212 WeakPolarHBondContact CD1-OD1 3.26Å; R24-D212 WeakPolarHBondContact CD-OD2 3.47Å; R24-D212 IonicContact CZ-OD1 2.68Å; R24-D212 IonicContact CZ-OD2 3.56Å; R24-D212 IonicContact NE-OD1 3.74Å; R24-D212 PolarHBondContact NE-OD1 3Å; R24-D212 IonicContact NE-OD2 3.48Å; R24-D212 PolarHBondContact NE-OD2 3.28Å; R24-D212 IonicContact NH2-OD1 3.44Å; R24-D212 PolarHBondContact NH2-OD1 3.49Å; R24-D212 IonicContact NH2-OD2 3.09Å; Y26-D212 VanDerWaalsContact CE2-OD2 3.29Å; Y26-D212 WeakPolarHBondContact CE2-OD2 3.49Å; Y26-D212 PolarHBondContact OH-OD2 3.12Å; V31-D212 HydrophobicContact CG1-CB 4.07Å; V31-D212 WeakPolarHBondContact CG1-O 3.41Å; V31-D212 HydrophobicContact CG2-CB 3.98Å; R208-D212 VanDerWaalsContact O-CG 3.22Å; R208-D212 PolarHBondContact O-N 3.42Å; L209-D212 PolarHBondContact O-N 3.05Å; D212-G215 PolarHBondContact O-N 3.04Å; D212-G215 VanDerWaalsContact O-N 3.1Å
213V96.6Very high97.9Very high18 Ų185.7 Ų5.711%0.1093%0.034CC..Hα-helixtrans-63.9-43.9175160.40000111.3V31 L34 R35 Y160 L209 A210 G215V31-V213 HydrophobicContact CG1-CG2 4.04Å; L34-V213 HydrophobicContact CB-CG2 3.98Å; R35-V213 HydrophobicContact CB-CG1 4.04Å; R35-V213 WeakPolarHBondContact CB-O 3.22Å; Y160-V213 VanDerWaalsContact OH-CG1 3.28Å; Y160-V213 WeakPolarHBondContact OH-CG1 3.28Å; L209-V213 HydrophobicContact CD1-CG2 4.19Å; L209-V213 HydrophobicContact CG-CG2 4.42Å; L209-V213 VanDerWaalsContact O-CB 3.29Å; L209-V213 WeakPolarHBondContact O-CB 3.3Å; L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 3.08Å; A210-V213 PolarHBondContact O-N 3.27Å; V213-G215 PolarHBondContact O-N 3.47Å
214C96.6Very high97.9Very high6 Ų65.3 Ų5.34%0.0413%0.032CC..Hα-helixtrans-69.2-15.3173.3-72.30000112.9Y42 I167 A210 A211 V216Y42-C214 HydrophobicContact CD2-CB 3.92Å; Y42-C214 WeakPolarHBondContact CD2-O 3.37Å; Y42-C214 HydrophobicContact CE2-CB 3.63Å; Y42-C214 WeakPolarHBondContact CE2-O 3.39Å; I167-C214 HydrophobicContact CD1-CB 3.94Å; I167-C214 HydrophobicContact CG2-CB 3.97Å; A210-C214 WeakPolarHBondContact O-CB 3.27Å; A210-C214 PolarHBondContact O-N 3.04Å; A210-C214 PolarHBondContact O-SG 3.37Å; A211-C214 PolarHBondContact O-N 3.23Å; C214-V216 HydrophobicContact CB-CG2 4.06Å
215G95.9Very high97.9Very high5 Ų55.3 Ų5.35%0.0523%0.032CC..THydrogen-bonded Turntrans71.729.8-176.800000113.7I11 R12 A211 D212 V213I11-G215 WeakPolarHBondContact CA-O 3.49Å; R12-G215 PolarHBondContact N-O 3.3Å; A211-G215 PolarHBondContact O-N 3.28Å; D212-G215 PolarHBondContact O-N 3.04Å; D212-G215 VanDerWaalsContact O-N 3.1Å; V213-G215 PolarHBondContact O-N 3.47Å
216V96.8Very high97.8Very high1 Ų14.3 Ų4.31%0.0063%0.026CC..  trans-117.5133.1-172.5-179.80000111.6Y42 S45 I167 A211 C214 V218Y42-V216 HydrophobicContact CD2-CG2 3.79Å; Y42-V216 HydrophobicContact CG-CG2 4.14Å; S45-V216 WeakPolarHBondContact OG-CG1 3.02Å; I167-V216 HydrophobicContact CD1-CB 4.45Å; I167-V216 HydrophobicContact CG2-CB 4.16Å; I167-V216 HydrophobicContact CG2-CG1 4.36Å; I167-V216 HydrophobicContact CG2-CG2 3.66Å; A211-V216 PolarHBondContact O-N 3.26Å; C214-V216 HydrophobicContact CB-CG2 4.06Å; V216-V218 HydrophobicContact CG1-CB 4.24Å; V216-V218 PolarHBondContact O-N 3.05Å
217P96.8Very high97.7Very high1 Ų15.4 Ų5.41%0.0063%0.029CC..  trans-81.838-178.734.9-36.8000113.9I11 V14 F19 V50I11-P217 HydrophobicContact CG2-CB 3.87Å; I11-P217 HydrophobicContact CG2-CG 4.37Å; V14-P217 HydrophobicContact CG2-CB 4.24Å; F19-P217 HydrophobicContact CZ-CB 4.22Å; V50-P217 HydrophobicContact CG2-CG 3.97Å
218V97.7Very high97.5Very high0 Ų06.4 Ų6.40%04%0.036CC..PPolyproline II helixtrans-55.7138.9-176.375.90000111.6S49 M163 I167 A172 V174 R208 A211 V216S49-V218 WeakPolarHBondContact OG-CA 3.27Å; M163-V218 HydrophobicContact CE-CG1 4.01Å; M163-V218 HydrophobicContact SD-CG1 3.68Å; M163-V218 HydrophobicContact SD-CG2 4.44Å; I167-V218 HydrophobicContact CD1-CG1 4.23Å; I167-V218 HydrophobicContact CG1-CB 4.45Å; I167-V218 HydrophobicContact CG1-CG1 4.39Å; A172-V218 WeakPolarHBondContact O-CG2 3.38Å; V174-V218 HydrophobicContact CG2-CG2 4.31Å; R208-V218 PolarHBondContact NH1-O 2.92Å; A211-V218 HydrophobicContact CB-CG1 3.52Å; V216-V218 HydrophobicContact CG1-CB 4.24Å; V216-V218 PolarHBondContact O-N 3.05Å
219V98.2Very high97.4Very high0 Ų06.2 Ų6.20%04%0.036CC..EExtended strand (participates in β ladder)trans-77.7126179178.30000109.5L52 W53 A172 G173 V174 I221 D279 L280L52-V219 HydrophobicContact CD2-CB 3.98Å; L52-V219 HydrophobicContact CD2-CG1 4.44Å; L52-V219 HydrophobicContact CD2-CG2 3.88Å; L52-V219 HydrophobicContact CG-CG2 4.25Å; W53-V219 HydrophobicContact CE3-CG2 4.13Å; A172-V219 PolarHBondContact O-N 3.32Å; G173-V219 CarbonylContact C-O 3.5Å; G173-V219 WeakPolarHBondContact CA-O 3.44Å; V174-V219 PolarHBondContact N-O 3.05Å; V219-I221 HydrophobicContact CG1-CG1 4.3Å; V219-D279 WeakPolarHBondContact CA-OD2 3.32Å; V219-D279 HydrophobicContact CG1-CB 4.05Å; V219-L280 HydrophobicContact CG1-CD1 3.54Å
220I98.7Very high97.3Very high0 Ų09.8 Ų9.80%05%0.047CC..EExtended strand (participates in β ladder)trans-103.3121.5176.1-61.9-178000108.5M163 L204 A207 R208 A278 D279 L280M163-I220 HydrophobicContact CE-CD1 4.09Å; M163-I220 HydrophobicContact CE-CG1 3.84Å; L204-I220 HydrophobicContact CD2-CG2 3.98Å; A207-I220 HydrophobicContact CB-CD1 4.03Å; R208-I220 HydrophobicContact CB-CD1 3.85Å; R208-I220 VanDerWaalsContact CZ-CD1 3.48Å; I220-A278 HydrophobicContact CG2-CB 4.33Å; I220-D279 PolarHBondContact N-OD2 3.15Å; I220-D279 WeakPolarHBondContact O-CB 3.31Å; I220-D279 PolarHBondContact O-N 3.34Å; I220-L280 PolarHBondContact O-N 3.01Å
221I98.8Very high97.3Very high3 Ų311.1 Ų11.12%0.0155%0.054CC..EExtended strand (participates in β ladder)trans-105.5126175-49.1-175.9000107.8V146 V174 H175 Y176 V219 L280 W282 A310 Y342V146-I221 HydrophobicContact CG1-CD1 3.46Å; V146-I221 VanDerWaalsContact CG1-CD1 3.46Å; V174-I221 PolarHBondContact O-N 3.33Å; H175-I221 WeakPolarHBondContact CA-O 3.35Å; H175-I221 HydrophobicContact CB-CB 3.68Å; H175-I221 HydrophobicContact CB-CG2 4.12Å; Y176-I221 PolarHBondContact N-O 3.37Å; Y176-I221 VanDerWaalsContact N-O 3.07Å; V219-I221 HydrophobicContact CG1-CG1 4.3Å; I221-L280 WeakPolarHBondContact CA-O 3.27Å; I221-L280 HydrophobicContact CB-CB 4.36Å; I221-L280 HydrophobicContact CD1-CD2 4.48Å; I221-L280 HydrophobicContact CG1-CB 4.09Å; I221-L280 HydrophobicContact CG2-CB 4.03Å; I221-W282 HydrophobicContact CG2-CB 4.19Å; I221-A310 HydrophobicContact CG2-CB 4.32Å; I221-Y342 HydrophobicContact CD1-CD1 4.36Å
222C98.8Very high97.3Very high1 Ų111.1 Ų11.11%0.0075%0.054CC..EExtended strand (participates in β ladder)trans-101.2120175.4171.80000109.7H200 L204 Y274 A278 L280 L281 W282H200-C222 PolarHBondContact CE1-SG 2.94Å; L204-C222 HydrophobicContact CD1-CB 3.9Å; L204-C222 HydrophobicContact CD2-CB 3.82Å; C222-Y274 VanDerWaalsContact SG-CB 3.54Å; C222-Y274 WeakPolarHBondContact SG-CD2 3.28Å; C222-Y274 VanDerWaalsContact SG-CG 3.51Å; C222-A278 HydrophobicContact CB-CB 3.41Å; C222-A278 VanDerWaalsContact CB-CB 3.41Å; C222-L280 PolarHBondContact N-O 2.93Å; C222-L281 HydrophobicContact CB-CD2 4.01Å; C222-L281 CarbonylContact O-C 3.13Å; C222-L281 WeakPolarHBondContact O-CA 3.47Å; C222-W282 PolarHBondContact O-N 3.01Å
223R98.7Very high97.4Very high6 Ų613 Ų132%0.0237%0.065CC..EExtended strand (participates in β ladder)trans-98.3140.6175.1170.2175.6159.2167.816.3110.4Y176 E177 D178 H200 D225 W282 E284Y176-R223 WeakPolarHBondContact O-CB 3.43Å; Y176-R223 PolarHBondContact O-N 2.91Å; E177-R223 WeakPolarHBondContact CA-O 3.41Å; E177-R223 HydrophobicContact CB-CB 3.87Å; E177-R223 HydrophobicContact CB-CG 3.72Å; E177-R223 WeakPolarHBondContact OE2-CD 3.5Å; E177-R223 IonicContact OE2-CZ 3.97Å; E177-R223 IonicContact OE2-NE 3.73Å; E177-R223 PolarHBondContact OE2-NE 3.13Å; E177-R223 IonicContact OE2-NH1 2.99Å; E177-R223 PolarHBondContact OE2-NH1 3.26Å; E177-R223 IonicContact OE2-NH2 2.63Å; D178-R223 PolarHBondContact N-O 3.41Å; H200-R223 PolarHBondContact CE1-O 3.39Å; R223-D225 IonicContact CZ-OD1 3.32Å; R223-D225 IonicContact CZ-OD2 3.42Å; R223-D225 IonicContact NE-OD1 3.76Å; R223-D225 IonicContact NE-OD2 2.71Å; R223-D225 PolarHBondContact NE-OD2 2.93Å; R223-D225 IonicContact NH2-OD1 2.8Å; R223-D225 PolarHBondContact NH2-OD1 2.9Å; R223-D225 VanDerWaalsContact NH2-OD1 3.12Å; R223-D225 IonicContact NH2-OD2 3.44Å; R223-D225 PolarHBondContact NH2-OD2 3.06Å; R223-W282 CarbonylContact C-O 3.53Å; R223-W282 VanDerWaalsContact CA-O 3.25Å; R223-W282 WeakPolarHBondContact CA-O 3.42Å; R223-W282 HydrophobicContact CB-CB 4.4Å; R223-W282 HydrophobicContact CB-CD2 4.04Å; R223-W282 HydrophobicContact CB-CE3 3.75Å; R223-W282 HydrophobicContact CB-CG 4.39Å; R223-W282 HydrophobicContact CB-CZ3 4.33Å; R223-W282 HydrophobicContact CG-CD2 3.97Å; R223-W282 HydrophobicContact CG-CE3 3.99Å; R223-W282 HydrophobicContact CG-CG 4.43Å; R223-W282 HydrophobicContact CG-CZ3 4.36Å; R223-E284 HydrophobicContact CG-CG 4.35Å; R223-E284 VanDerWaalsContact CZ-CG 3.42Å; R223-E284 IonicContact CZ-OE1 3.76Å; R223-E284 VanDerWaalsContact CZ-OE1 3.25Å; R223-E284 VanDerWaalsContact NE-CG 3.32Å; R223-E284 IonicContact NE-OE1 2.84Å; R223-E284 IonicContact NH1-OE1 2.91Å; R223-E284 IonicContact NH2-OE1 3.55Å; R223-E284 PolarHBondContact NH2-OE1 2.89Å
224T98.6Very high97.4Very high0 Ų013.8 Ų13.80%07%0.072CC..EExtended strand (participates in β ladder)trans-118136.6163.8-174.80000111.2D178 A226 C267 W282 M283 E284D178-T224 VanDerWaalsContact OD1-CA 3.29Å; D178-T224 WeakPolarHBondContact OD1-CA 3.32Å; D178-T224 WeakPolarHBondContact OD2-CB 3.42Å; D178-T224 PolarHBondContact OD2-OG1 3.32Å; T224-A226 PolarHBondContact OG1-N 3.48Å; T224-C267 HydrophobicContact CG2-CB 3.94Å; T224-W282 PolarHBondContact N-O 2.92Å; T224-M283 HydrophobicContact CG2-CB 4.35Å; T224-E284 PolarHBondContact O-N 3.23Å; T224-E284 VanDerWaalsContact O-N 3.1Å
225D97.9Very high97.4Very high0 Ų016.7 Ų16.70%09%0.087CC..  trans-102.49.7177.5-88.7-80.5000113.2D178 Q179 G187 K192 L194 R223 E227 A229D178-D225 PolarHBondContact OD1-N 3.4Å; Q179-D225 HydrophobicContact CG-CB 3.92Å; Q179-D225 PolarHBondContact NE2-OD1 2.76Å; Q179-D225 PolarHBondContact NE2-OD2 2.89Å; G187-D225 VanDerWaalsContact CA-OD1 3.31Å; G187-D225 WeakPolarHBondContact CA-OD1 3.28Å; K192-D225 HydrophobicContact CD-CB 4.16Å; K192-D225 PolarHBondContact NZ-O 3.33Å; K192-D225 IonicContact NZ-OD1 3.48Å; K192-D225 PolarHBondContact NZ-OD1 2.68Å; L194-D225 HydrophobicContact CD2-CB 4.14Å; R223-D225 IonicContact CZ-OD1 3.32Å; R223-D225 IonicContact CZ-OD2 3.42Å; R223-D225 IonicContact NE-OD1 3.76Å; R223-D225 IonicContact NE-OD2 2.71Å; R223-D225 PolarHBondContact NE-OD2 2.93Å; R223-D225 IonicContact NH2-OD1 2.8Å; R223-D225 PolarHBondContact NH2-OD1 2.9Å; R223-D225 VanDerWaalsContact NH2-OD1 3.12Å; R223-D225 IonicContact NH2-OD2 3.44Å; R223-D225 PolarHBondContact NH2-OD2 3.06Å; D225-E227 PolarHBondContact O-N 3.45Å; D225-E227 VanDerWaalsContact O-N 3.11Å; D225-A229 WeakPolarHBondContact O-CB 3.44Å; D225-A229 PolarHBondContact O-N 2.94Å; D225-A229 VanDerWaalsContact O-N 3.16Å
226A97.6Very high97.5Very high2 Ų221.8 Ų21.82%0.01711%0.112CC..THydrogen-bonded Turntrans-66.1-13.7-170.400000115.7L194 T224 H266L194-A226 HydrophobicContact CD1-CB 3.66Å; T224-A226 PolarHBondContact OG1-N 3.48Å; A226-H266 HydrophobicContact CB-CB 4.14Å
227E96.3Very high97.6Very high32 Ų3222.4 Ų22.415%0.1512%0.116CC..THydrogen-bonded Turntrans-62-48179.8-177.3-87.9170.300111.5D225 R230 C267 M283 E284 S286D225-E227 PolarHBondContact O-N 3.45Å; D225-E227 VanDerWaalsContact O-N 3.11Å; E227-R230 PolarHBondContact O-NH1 2.81Å; E227-R230 VanDerWaalsContact O-NH1 3.1Å; E227-C267 PolarHBondContact N-SG 2.88Å; E227-M283 HydrophobicContact CB-CE 3.83Å; E227-M283 HydrophobicContact CG-CE 3.64Å; E227-E284 WeakPolarHBondContact CB-O 3.27Å; E227-S286 VanDerWaalsContact CD-OG 3.27Å; E227-S286 VanDerWaalsContact OE1-CB 3.31Å; E227-S286 WeakPolarHBondContact OE1-CB 3.42Å; E227-S286 PolarHBondContact OE1-OG 3.25Å; E227-S286 VanDerWaalsContact OE1-OG 3.08Å; E227-S286 PolarHBondContact OE2-N 3.19Å; E227-S286 PolarHBondContact OE2-OG 2.92Å
228S94.4Very high97.7Very high21 Ų2128.9 Ų28.915%0.14715%0.146CC..THydrogen-bonded Turntrans-112.1-10-175.326.80000113.2K192K192-S228 WeakPolarHBondContact CE-OG 3.48Å; K192-S228 PolarHBondContact NZ-OG 3Å
229A96.2Very high97.7Very high1 Ų133.5 Ų33.51%0.00816%0.163CC..  trans-61.4143.5170.600000110.9K192 L194 D225 L258K192-A229 HydrophobicContact CB-CB 3.99Å; L194-A229 HydrophobicContact CD1-CB 4.04Å; L194-A229 HydrophobicContact CD2-CB 3.68Å; L194-A229 HydrophobicContact CG-CB 3.59Å; D225-A229 WeakPolarHBondContact O-CB 3.44Å; D225-A229 PolarHBondContact O-N 2.94Å; D225-A229 VanDerWaalsContact O-N 3.16Å; A229-L258 HydrophobicContact CB-CD1 4.38Å
230R95.9Very high97.7Very high107 Ų10733.5 Ų33.540%0.40416%0.163SC..  trans-121.9-4.3179.6-63.1-63.3178.1-104.83.1112.9E227 L258E227-R230 PolarHBondContact O-NH1 2.81Å; E227-R230 VanDerWaalsContact O-NH1 3.1Å; R230-L258 PolarHBondContact O-N 3.02Å
231L97.8Very high97.6Very high28 Ų2838.7 Ų38.715%0.14718%0.183CC..EExtended strand (participates in β ladder)trans-131.2148.3-175.7-60.4175.5000110.4V193 L194 T251 F255 F256V193-L231 WeakPolarHBondContact CA-O 3.36Å; V193-L231 HydrophobicContact CB-CB 4.31Å; V193-L231 HydrophobicContact CG1-CB 4.18Å; V193-L231 HydrophobicContact CG2-CB 3.98Å; V193-L231 HydrophobicContact CG2-CD1 3.98Å; L194-L231 PolarHBondContact N-O 2.85Å; L231-T251 HydrophobicContact CD1-CG2 4.47Å; L231-T251 HydrophobicContact CD2-CG2 3.51Å; L231-F255 HydrophobicContact CB-CB 4.28Å; L231-F255 HydrophobicContact CD1-CD2 4.22Å; L231-F255 HydrophobicContact CD2-CB 4.38Å; L231-F256 CarbonylContact C-O 3.47Å; L231-F256 VanDerWaalsContact CA-O 3.3Å; L231-F256 WeakPolarHBondContact CA-O 3.41Å
232I98.4Very high97.5Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-138142.7170.3-171.9173.8000109.9L194 S234 D240 I244 F256 L258 R270L194-I232 HydrophobicContact CB-CB 4.25Å; L194-I232 HydrophobicContact CB-CG1 4.05Å; L194-I232 WeakPolarHBondContact O-CA 3.41Å; L194-I232 WeakPolarHBondContact O-CG1 3.34Å; I232-S234 PolarHBondContact O-N 2.84Å; I232-D240 HydrophobicContact CD1-CB 3.78Å; I232-I244 HydrophobicContact CG2-CD1 3.95Å; I232-I244 HydrophobicContact CG2-CG1 3.94Å; I232-F256 HydrophobicContact CG2-CB 3.77Å; I232-F256 PolarHBondContact N-O 2.93Å; I232-F256 PolarHBondContact O-N 3.26Å; I232-L258 HydrophobicContact CB-CD2 4.17Å; I232-L258 HydrophobicContact CB-CG 4.42Å; I232-L258 HydrophobicContact CG2-CD2 3.83Å; I232-L258 HydrophobicContact CG2-CG 4.32Å; I232-R270 VanDerWaalsContact CD1-NH2 3.33Å
233T98.3Very high97.5Very high40 Ų4043.3 Ų43.325%0.24521%0.21CC..SBendtrans-69.1-31.5-173.6580000114.5L180 V193 L194 P196 F255L180-T233 HydrophobicContact CB-CG2 4.15Å; L180-T233 HydrophobicContact CD1-CG2 4.27Å; L180-T233 HydrophobicContact CD2-CG2 3.77Å; L180-T233 HydrophobicContact CG-CG2 4.28Å; V193-T233 HydrophobicContact CG1-CG2 3.63Å; L194-T233 PolarHBondContact O-N 2.91Å; P196-T233 WeakPolarHBondContact CD-OG1 3.35Å; T233-F255 HydrophobicContact CG2-CD1 4.14Å; T233-F255 HydrophobicContact CG2-CE1 4.01Å
234S97.5Very high97.5Very high36 Ų3643.2 Ų43.225%0.25221%0.21SC..  trans-158.3148.2-175.4176.80000111.8I232 I236I232-S234 PolarHBondContact O-N 2.84Å; S234-I236 VanDerWaalsContact C-N 3.33Å; S234-I236 WeakPolarHBondContact OG-CB 3.3Å; S234-I236 WeakPolarHBondContact OG-CG2 3.46Å; S234-I236 PolarHBondContact OG-N 3.06Å
235D96.8Very high97.3Very high66 Ų6645 Ų4535%0.35322%0.22SC..  trans-91.613.4174.169.8-31.5000113.6D237 R241 I244 F256D235-D237 PolarHBondContact O-N 2.92Å; D235-R241 HydrophobicContact CB-CG 4.49Å; D235-R241 WeakPolarHBondContact O-CG 3.5Å; D235-R241 PolarHBondContact O-NE 3.24Å; D235-R241 VanDerWaalsContact O-NE 3.1Å; D235-I244 HydrophobicContact CB-CD1 3.4Å; D235-I244 VanDerWaalsContact CB-CD1 3.4Å; D235-F256 HydrophobicContact CB-CE1 4.28Å; D235-F256 HydrophobicContact CB-CE2 4.21Å; D235-F256 HydrophobicContact CB-CZ 4.05Å; D235-F256 WeakPolarHBondContact OD1-CZ 3.49Å
236I98.2Very high97.1Very high113 Ų11350.6 Ų50.658%0.57925%0.254SS*.  trans-61.3-29.3-174.9-168.160.1000113P196 S234P196-I236 HydrophobicContact CB-CG2 4.13Å; P196-I236 HydrophobicContact CG-CG2 3.95Å; S234-I236 VanDerWaalsContact C-N 3.33Å; S234-I236 WeakPolarHBondContact OG-CB 3.3Å; S234-I236 WeakPolarHBondContact OG-CG2 3.46Å; S234-I236 PolarHBondContact OG-N 3.06Å
237D98.1Very high96.9Very high14 Ų1456.3 Ų56.38%0.07529%0.289CS..SBendtrans-91.5119.4178.9-161.6-45.5000110.8P196 S198 D235 R239 D240 R241P196-D237 HydrophobicContact CB-CB 4.05Å; S198-D237 WeakPolarHBondContact CA-OD2 3.37Å; S198-D237 WeakPolarHBondContact CB-OD2 3.22Å; S198-D237 PolarHBondContact N-OD2 2.94Å; S198-D237 PolarHBondContact OG-OD2 3.26Å; D235-D237 PolarHBondContact O-N 2.92Å; D237-R239 PolarHBondContact O-N 3.45Å; D237-R239 VanDerWaalsContact O-N 3.08Å; D237-R239 WeakPolarHBondContact OD1-CB 3.47Å; D237-R239 IonicContact OD1-CZ 3.65Å; D237-R239 PolarHBondContact OD1-N 2.84Å; D237-R239 VanDerWaalsContact OD1-N 3.13Å; D237-R239 IonicContact OD1-NE 3.26Å; D237-R239 PolarHBondContact OD1-NE 3.17Å; D237-R239 IonicContact OD1-NH2 2.8Å; D237-R239 PolarHBondContact OD1-NH2 2.7Å; D237-R239 IonicContact OD2-CZ 3.25Å; D237-R239 IonicContact OD2-NE 2.56Å; D237-R239 IonicContact OD2-NH2 2.67Å; D237-R239 PolarHBondContact OD2-NH2 3.22Å; D237-D240 WeakPolarHBondContact CB-OD2 3.37Å; D237-D240 PolarHBondContact O-N 3.42Å; D237-R241 PolarHBondContact O-N 3.03Å
238E98Very high96.7Very high137 Ų13758.7 Ų58.764%0.6431%0.305SS*.THydrogen-bonded Turntrans-62-23.9-175-41.3-15912700112.9D240 R241 P242E238-D240 VanDerWaalsContact C-N 3.26Å; E238-D240 PolarHBondContact O-N 3Å; E238-R241 IonicContact OE1-CZ 3.77Å; E238-R241 IonicContact OE1-NH1 2.9Å; E238-R241 PolarHBondContact OE1-NH1 3.02Å; E238-R241 IonicContact OE1-NH2 3.88Å; E238-P242 WeakPolarHBondContact O-CD 3.37Å
239R98Very high96.6Very high97 Ų9759.2 Ų59.237%0.36632%0.315SS..THydrogen-bonded Turntrans-69.9-24.2177.1-64.6169.6-72.2-172.1-1.2112.8T197 D237 F243T197-R239 VanDerWaalsContact CG2-CZ 3.5Å; D237-R239 PolarHBondContact O-N 3.45Å; D237-R239 VanDerWaalsContact O-N 3.08Å; D237-R239 WeakPolarHBondContact OD1-CB 3.47Å; D237-R239 IonicContact OD1-CZ 3.65Å; D237-R239 PolarHBondContact OD1-N 2.84Å; D237-R239 VanDerWaalsContact OD1-N 3.13Å; D237-R239 IonicContact OD1-NE 3.26Å; D237-R239 PolarHBondContact OD1-NE 3.17Å; D237-R239 IonicContact OD1-NH2 2.8Å; D237-R239 PolarHBondContact OD1-NH2 2.7Å; D237-R239 IonicContact OD2-CZ 3.25Å; D237-R239 IonicContact OD2-NE 2.56Å; D237-R239 IonicContact OD2-NH2 2.67Å; D237-R239 PolarHBondContact OD2-NH2 3.22Å; R239-F243 WeakPolarHBondContact O-CE2 3.38Å
240D98.4Very high96.7Very high0 Ų067.1 Ų67.10%034%0.344CS..THydrogen-bonded Turntrans-90.3-28.4-178.7-62.2-41.6000111.8P196 T197 I232 D237 E238 F243 H266 R270P196-D240 VanDerWaalsContact CA-OD2 3.24Å; P196-D240 WeakPolarHBondContact CA-OD2 3.45Å; T197-D240 PolarHBondContact N-OD2 3.31Å; T197-D240 PolarHBondContact OG1-OD1 3.38Å; I232-D240 HydrophobicContact CD1-CB 3.78Å; D237-D240 WeakPolarHBondContact CB-OD2 3.37Å; D237-D240 PolarHBondContact O-N 3.42Å; E238-D240 VanDerWaalsContact C-N 3.26Å; E238-D240 PolarHBondContact O-N 3Å; D240-F243 PolarHBondContact O-N 2.99Å; D240-H266 IonicContact OD1-NE2 3.61Å; D240-R270 VanDerWaalsContact CG-NH2 3.29Å; D240-R270 IonicContact OD1-CZ 2.69Å; D240-R270 IonicContact OD1-NE 2.69Å; D240-R270 IonicContact OD1-NH2 2.8Å; D240-R270 PolarHBondContact OD1-NH2 2.96Å; D240-R270 IonicContact OD2-NH2 3.87Å; D240-R270 PolarHBondContact OD2-NH2 3.15Å
241R97.5Very high96.7Very high109 Ų10963.4 Ų63.441%0.41133%0.334SS..G310 helixtrans-50.8-40-178-64.8-180-173.6152.23.3115D235 D237 E238 F243 I244D235-R241 HydrophobicContact CB-CG 4.49Å; D235-R241 WeakPolarHBondContact O-CG 3.5Å; D235-R241 PolarHBondContact O-NE 3.24Å; D235-R241 VanDerWaalsContact O-NE 3.1Å; D237-R241 PolarHBondContact O-N 3.03Å; E238-R241 IonicContact OE1-CZ 3.77Å; E238-R241 IonicContact OE1-NH1 2.9Å; E238-R241 PolarHBondContact OE1-NH1 3.02Å; E238-R241 IonicContact OE1-NH2 3.88Å; R241-F243 PolarHBondContact O-N 2.98Å; R241-F243 VanDerWaalsContact O-N 3.12Å; R241-I244 PolarHBondContact O-N 2.99Å
242P97.1Very high96.7Very high77 Ų7767.2 Ų67.250%0.537%0.369SS..G310 helixtrans-58.7-25.1178.2-26.636.5000114.3E238 K259E238-P242 WeakPolarHBondContact O-CD 3.37Å; P242-K259 PolarHBondContact O-NZ 3.33Å
243F97.9Very high96.7Very high23 Ų2373.7 Ų73.710%0.10140%0.399CS..G310 helixtrans-96.6-6.8-176.1-52.5-74.6000113.4R239 D240 R241 L258 K259 Q265 H266R239-F243 WeakPolarHBondContact O-CE2 3.38Å; D240-F243 PolarHBondContact O-N 2.99Å; R241-F243 PolarHBondContact O-N 2.98Å; R241-F243 VanDerWaalsContact O-N 3.12Å; F243-L258 HydrophobicContact CB-CD2 4.25Å; F243-L258 CarbonylContact O-C 3.59Å; F243-L258 WeakPolarHBondContact O-CA 3.1Å; F243-K259 PolarHBondContact O-N 3.17Å; F243-Q265 HydrophobicContact CE1-CB 4.05Å; F243-H266 HydrophobicContact CD1-CB 3.66Å; F243-H266 AromaticContact CD1-CG 3.88Å; F243-H266 HydrophobicContact CD2-CB 4.33Å; F243-H266 AromaticContact CD2-CD2 3.22Å; F243-H266 WeakPolarHBondContact CD2-CD2 3.36Å; F243-H266 AromaticContact CD2-CG 3.76Å; F243-H266 AromaticContact CD2-NE2 3.56Å; F243-H266 HydrophobicContact CE1-CB 3.86Å; F243-H266 HydrophobicContact CE2-CB 4.5Å; F243-H266 AromaticContact CE2-CD2 3.56Å; F243-H266 HydrophobicContact CG-CB 3.91Å; F243-H266 AromaticContact CG-CD2 3.56Å; F243-H266 AromaticContact CG-CG 3.57Å; F243-H266 AromaticContact CG-ND1 3.94Å; F243-H266 AromaticContact CG-NE2 3.94Å; F243-H266 HydrophobicContact CZ-CB 4.28Å
244I97.6Very high96.6Very high4 Ų473 Ų732%0.02140%0.4CS..BIsolated β-bridgetrans-83.8131.6179.6-67.3175.6000109.9I232 D235 R241 T246 F256 H257 L258 K259I232-I244 HydrophobicContact CG2-CD1 3.95Å; I232-I244 HydrophobicContact CG2-CG1 3.94Å; D235-I244 HydrophobicContact CB-CD1 3.4Å; D235-I244 VanDerWaalsContact CB-CD1 3.4Å; R241-I244 PolarHBondContact O-N 2.99Å; I244-T246 HydrophobicContact CG2-CG2 4.29Å; I244-T246 PolarHBondContact O-N 2.98Å; I244-F256 HydrophobicContact CD1-CB 4.42Å; I244-F256 HydrophobicContact CG2-CB 4.01Å; I244-F256 HydrophobicContact CG2-CD1 3.85Å; I244-F256 HydrophobicContact CG2-CG 4.28Å; I244-H257 WeakPolarHBondContact CA-O 3.4Å; I244-L258 HydrophobicContact CG1-CD2 4.22Å; I244-K259 WeakPolarHBondContact O-CE 3.46Å
245D96.4Very high96.6Very high38 Ų3872.7 Ų72.720%0.20339%0.394CS..  trans-83.597.3170.7-167.1-23.4000109.7T247 V248 H257 K259D245-T247 PolarHBondContact O-N 3.38Å; D245-T247 WeakPolarHBondContact OD1-CB 3.35Å; D245-T247 PolarHBondContact OD1-N 3.32Å; D245-T247 PolarHBondContact OD1-OG1 3.18Å; D245-V248 HydrophobicContact CB-CG2 4.35Å; D245-V248 WeakPolarHBondContact OD2-CG2 3.49Å; D245-H257 HydrophobicContact CB-CB 4.37Å; D245-H257 PolarHBondContact N-O 3.44Å; D245-K259 HydrophobicContact CB-CG 3.94Å
246T91.7Very high96.7Very high118 Ų11871.2 Ų71.272%0.72438%0.384SS*.THydrogen-bonded Turntrans-73.2-9.2179.555.10000113.4I244I244-T246 HydrophobicContact CG2-CG2 4.29Å; I244-T246 PolarHBondContact O-N 2.98Å
247T94.1Very high96.7Very high122 Ų12268.4 Ų68.475%0.74837%0.369SS*.THydrogen-bonded Turntrans-87.5-29.2-17771.70000113.1D245D245-T247 PolarHBondContact O-N 3.38Å; D245-T247 WeakPolarHBondContact OD1-CB 3.35Å; D245-T247 PolarHBondContact OD1-N 3.32Å; D245-T247 PolarHBondContact OD1-OG1 3.18Å
248V92.9Very high96.6Very high81 Ų8168.3 Ų68.349%0.49137%0.368SS..THydrogen-bonded Turntrans-79.7-22.7180-1780000112D245 H257D245-V248 HydrophobicContact CB-CG2 4.35Å; D245-V248 WeakPolarHBondContact OD2-CG2 3.49Å; V248-H257 HydrophobicContact CB-CB 4.26Å; V248-H257 HydrophobicContact CG1-CB 4.33Å
249G91.7Very high96.5Very high33 Ų3365.8 Ų65.834%0.3436%0.355SS..  trans83-149.6-176.500000112.6H257G249-H257 PolarHBondContact O-CD2 3.39Å
250R97.5Very high96Very high167 Ų16768.2 Ų68.263%0.6337%0.37SS*.BIsolated β-bridgetrans-113.1152.5-179.4-67.4-173.2-71.3178-3111.1G254 F255 F256R250-G254 WeakPolarHBondContact CD-O 3.28Å; R250-F255 CarbonylContact C-O 3.58Å; R250-F255 WeakPolarHBondContact CA-O 3.46Å; R250-F255 WeakPolarHBondContact CB-O 3.4Å; R250-F256 HydrophobicContact CG-CD1 3.98Å; R250-F256 HydrophobicContact CG-CD2 4.39Å; R250-F256 HydrophobicContact CG-CE1 4.02Å; R250-F256 HydrophobicContact CG-CE2 4.42Å; R250-F256 HydrophobicContact CG-CG 4.19Å; R250-F256 HydrophobicContact CG-CZ 4.26Å
251T97.3Very high95.4Very high29 Ų2975.6 Ų75.618%0.17841%0.41CS..  trans-65.8170.9170.4750000111.3L231 E253 G254 F255L231-T251 HydrophobicContact CD1-CG2 4.47Å; L231-T251 HydrophobicContact CD2-CG2 3.51Å; T251-E253 WeakPolarHBondContact CB-OE2 3.38Å; T251-E253 PolarHBondContact O-N 2.88Å; T251-E253 PolarHBondContact OG1-N 2.9Å; T251-E253 PolarHBondContact OG1-OE2 3.29Å; T251-G254 WeakPolarHBondContact O-CA 3.29Å; T251-G254 PolarHBondContact O-N 2.82Å; T251-G254 PolarHBondContact OG1-N 3.5Å; T251-F255 HydrophobicContact CG2-CB 4.2Å; T251-F255 PolarHBondContact N-O 3.09Å; T251-F255 PolarHBondContact OG1-N 3.42Å; T251-F255 VanDerWaalsContact OG1-N 3.16Å
252A97.2Very high95.3Very high107 Ų10772 Ų7288%0.88440%0.4SS*.THydrogen-bonded Turntrans-62-31.8177.100000112.8G254A252-G254 PolarHBondContact O-N 2.99Å
253E97.4Very high95.2Very high136 Ų13668.8 Ų68.864%0.63638%0.381SS*.THydrogen-bonded Turntrans-76.2-10.5174.8-5178.5-172.700112.5T251 F255T251-E253 WeakPolarHBondContact CB-OE2 3.38Å; T251-E253 PolarHBondContact O-N 2.88Å; T251-E253 PolarHBondContact OG1-N 2.9Å; T251-E253 PolarHBondContact OG1-OE2 3.29Å; E253-F255 HydrophobicContact CB-CD2 3.89Å; E253-F255 HydrophobicContact CB-CE2 3.62Å; E253-F255 HydrophobicContact CB-CZ 4.05Å; E253-F255 HydrophobicContact CG-CE2 4.12Å
254G97.4Very high95.1Very high25 Ų2569.3 Ų69.326%0.25839%0.385SS..SBendtrans92.912.5178.900000115.1R250 T251 A252R250-G254 WeakPolarHBondContact CD-O 3.28Å; T251-G254 WeakPolarHBondContact O-CA 3.29Å; T251-G254 PolarHBondContact O-N 2.82Å; T251-G254 PolarHBondContact OG1-N 3.5Å; A252-G254 PolarHBondContact O-N 2.99Å
255F98Very high95.1Very high31 Ų3174.3 Ų74.314%0.13641%0.408CS..PPolyproline II helixtrans-78.3147.9176.3-53.1-43.5000111.6L180 E183 V193 L231 T233 R250 T251 E253L180-F255 HydrophobicContact CD2-CE1 4.08Å; L180-F255 HydrophobicContact CD2-CZ 4.05Å; E183-F255 HydrophobicContact CG-CZ 4.5Å; V193-F255 HydrophobicContact CG1-CD1 4Å; V193-F255 HydrophobicContact CG1-CD2 4.31Å; V193-F255 HydrophobicContact CG1-CE1 4.14Å; V193-F255 HydrophobicContact CG1-CE2 4.44Å; V193-F255 HydrophobicContact CG1-CG 4.07Å; V193-F255 HydrophobicContact CG1-CZ 4.36Å; V193-F255 HydrophobicContact CG2-CD2 4.07Å; V193-F255 HydrophobicContact CG2-CE2 3.97Å; V193-F255 HydrophobicContact CG2-CZ 4.45Å; L231-F255 HydrophobicContact CB-CB 4.28Å; L231-F255 HydrophobicContact CD1-CD2 4.22Å; L231-F255 HydrophobicContact CD2-CB 4.38Å; T233-F255 HydrophobicContact CG2-CD1 4.14Å; T233-F255 HydrophobicContact CG2-CE1 4.01Å; R250-F255 CarbonylContact C-O 3.58Å; R250-F255 WeakPolarHBondContact CA-O 3.46Å; R250-F255 WeakPolarHBondContact CB-O 3.4Å; T251-F255 HydrophobicContact CG2-CB 4.2Å; T251-F255 PolarHBondContact N-O 3.09Å; T251-F255 PolarHBondContact OG1-N 3.42Å; T251-F255 VanDerWaalsContact OG1-N 3.16Å; E253-F255 HydrophobicContact CB-CD2 3.89Å; E253-F255 HydrophobicContact CB-CE2 3.62Å; E253-F255 HydrophobicContact CB-CZ 4.05Å; E253-F255 HydrophobicContact CG-CE2 4.12Å
256F98.1Very high95.2Very high34 Ų3472.5 Ų72.515%0.14940%0.399CS..EExtended strand (participates in β ladder)trans-85.6144.9173.2-70.8-96.2000110.7L231 I232 D235 I244 R250L231-F256 CarbonylContact C-O 3.47Å; L231-F256 VanDerWaalsContact CA-O 3.3Å; L231-F256 WeakPolarHBondContact CA-O 3.41Å; I232-F256 HydrophobicContact CG2-CB 3.77Å; I232-F256 PolarHBondContact N-O 2.93Å; I232-F256 PolarHBondContact O-N 3.26Å; D235-F256 HydrophobicContact CB-CE1 4.28Å; D235-F256 HydrophobicContact CB-CE2 4.21Å; D235-F256 HydrophobicContact CB-CZ 4.05Å; D235-F256 WeakPolarHBondContact OD1-CZ 3.49Å; I244-F256 HydrophobicContact CD1-CB 4.42Å; I244-F256 HydrophobicContact CG2-CB 4.01Å; I244-F256 HydrophobicContact CG2-CD1 3.85Å; I244-F256 HydrophobicContact CG2-CG 4.28Å; R250-F256 HydrophobicContact CG-CD1 3.98Å; R250-F256 HydrophobicContact CG-CD2 4.39Å; R250-F256 HydrophobicContact CG-CE1 4.02Å; R250-F256 HydrophobicContact CG-CE2 4.42Å; R250-F256 HydrophobicContact CG-CG 4.19Å; R250-F256 HydrophobicContact CG-CZ 4.26Å
257H97.9Very high95.5Very high55 Ų5566.9 Ų66.926%0.25536%0.364SS..EExtended strand (participates in β ladder)trans-78140.7171.4-71.2-90.4000111.2I244 D245 V248 G249I244-H257 WeakPolarHBondContact CA-O 3.4Å; D245-H257 HydrophobicContact CB-CB 4.37Å; D245-H257 PolarHBondContact N-O 3.44Å; V248-H257 HydrophobicContact CB-CB 4.26Å; V248-H257 HydrophobicContact CG1-CB 4.33Å; G249-H257 PolarHBondContact O-CD2 3.39Å
258L97.1Very high95.7Very high11 Ų1162.5 Ų62.56%0.05834%0.336CS..BIsolated β-bridgetrans-93.9142.7169.8-64.9171000109.9L194 A229 R230 I232 F243 I244 E260L194-L258 HydrophobicContact CD1-CD1 3.73Å; L194-L258 HydrophobicContact CG-CD1 4.35Å; A229-L258 HydrophobicContact CB-CD1 4.38Å; R230-L258 PolarHBondContact O-N 3.02Å; I232-L258 HydrophobicContact CB-CD2 4.17Å; I232-L258 HydrophobicContact CB-CG 4.42Å; I232-L258 HydrophobicContact CG2-CD2 3.83Å; I232-L258 HydrophobicContact CG2-CG 4.32Å; F243-L258 HydrophobicContact CB-CD2 4.25Å; F243-L258 CarbonylContact O-C 3.59Å; F243-L258 WeakPolarHBondContact O-CA 3.1Å; I244-L258 HydrophobicContact CG1-CD2 4.22Å; L258-E260 PolarHBondContact O-N 3.07Å
259K95.9Very high96Very high84 Ų8460.6 Ų60.637%0.36533%0.326SS..PPolyproline II helixtrans-60.7131.3177.6-68173.9-178164.20110.8P242 F243 I244 D245 T262P242-K259 PolarHBondContact O-NZ 3.33Å; F243-K259 PolarHBondContact O-N 3.17Å; I244-K259 WeakPolarHBondContact O-CE 3.46Å; D245-K259 HydrophobicContact CB-CG 3.94Å; K259-T262 HydrophobicContact CB-CG2 3.77Å; K259-T262 HydrophobicContact CD-CG2 4.36Å; K259-T262 PolarHBondContact O-OG1 3.36Å
260E86.2Confident96.3Very high148 Ų14859.1 Ų59.169%0.69231%0.31SS*.THydrogen-bonded Turntrans-58.2151.7167.1-60.9-169.7161.900110L258 T262L258-E260 PolarHBondContact O-N 3.07Å; E260-T262 PolarHBondContact O-N 2.8Å; E260-T262 VanDerWaalsContact O-N 3.14Å
261D87.3Confident96.4Very high156 Ų15651.2 Ų51.283%0.83428%0.28SS*.THydrogen-bonded Turntrans64.59-179.1-52.6-36.7000117.9
262T94.2Very high96.4Very high32 Ų3252 Ų5220%0.19628%0.283CS..  trans-104.24.1176.467.20000115.2K259 E260 L264 Q265 H266K259-T262 HydrophobicContact CB-CG2 3.77Å; K259-T262 HydrophobicContact CD-CG2 4.36Å; K259-T262 PolarHBondContact O-OG1 3.36Å; E260-T262 PolarHBondContact O-N 2.8Å; E260-T262 VanDerWaalsContact O-N 3.14Å; T262-L264 PolarHBondContact O-N 3.13Å; T262-Q265 PolarHBondContact O-N 2.96Å; T262-H266 WeakPolarHBondContact O-CB 3.44Å; T262-H266 PolarHBondContact O-N 3.21Å
263G94.9Very high96.5Very high10 Ų1047.9 Ų47.910%0.10325%0.249CC..Hα-helixtrans-55.4-51.5-169.900000114.6Q265 H266 C267G263-Q265 PolarHBondContact O-N 3.12Å; G263-H266 PolarHBondContact O-N 3.22Å; G263-C267 PolarHBondContact O-N 2.69Å; G263-C267 PolarHBondContact O-SG 3.34Å; G263-C267 VanDerWaalsContact O-SG 3.42Å
264L96.3Very high96.5Very high35 Ų3541.4 Ų41.418%0.18322%0.218CC..Hα-helixtrans-62.9-44.5-179.6176.361.8000111.9T262 H266 C267 I268 M283 L295 F296T262-L264 PolarHBondContact O-N 3.13Å; L264-H266 VanDerWaalsContact C-N 3.29Å; L264-H266 PolarHBondContact O-N 3.08Å; L264-C267 WeakPolarHBondContact O-CB 3.33Å; L264-C267 PolarHBondContact O-N 3.32Å; L264-I268 HydrophobicContact CD1-CD1 4.14Å; L264-I268 HydrophobicContact CD1-CG1 4.37Å; L264-I268 HydrophobicContact CG-CD1 3.99Å; L264-I268 WeakPolarHBondContact O-CG1 3.34Å; L264-I268 PolarHBondContact O-N 3.31Å; L264-M283 HydrophobicContact CD1-CE 3.78Å; L264-M283 HydrophobicContact CD1-SD 3.78Å; L264-L295 HydrophobicContact CD2-CB 4.27Å; L264-L295 HydrophobicContact CD2-CD1 4.22Å; L264-F296 HydrophobicContact CD1-CB 4.22Å
265Q97.4Very high96.5Very high108 Ų10840.2 Ų40.251%0.50521%0.206SC..Hα-helixtrans-64.2-37.5178.4-70.879.5-400111.2F243 T262 G263 I268 S269F243-Q265 HydrophobicContact CE1-CB 4.05Å; T262-Q265 PolarHBondContact O-N 2.96Å; G263-Q265 PolarHBondContact O-N 3.12Å; Q265-I268 PolarHBondContact O-N 2.78Å; Q265-S269 WeakPolarHBondContact O-CB 3.43Å; Q265-S269 PolarHBondContact O-N 2.99Å
266H98Very high96.5Very high1 Ų139.6 Ų39.61%0.00521%0.205CC..Hα-helixtrans-65.6-44.9175.8-162.5-175.7000111.1A226 D240 F243 T262 G263 L264 I268 S269 R270A226-H266 HydrophobicContact CB-CB 4.14Å; D240-H266 IonicContact OD1-NE2 3.61Å; F243-H266 HydrophobicContact CD1-CB 3.66Å; F243-H266 AromaticContact CD1-CG 3.88Å; F243-H266 HydrophobicContact CD2-CB 4.33Å; F243-H266 AromaticContact CD2-CD2 3.22Å; F243-H266 WeakPolarHBondContact CD2-CD2 3.36Å; F243-H266 AromaticContact CD2-CG 3.76Å; F243-H266 AromaticContact CD2-NE2 3.56Å; F243-H266 HydrophobicContact CE1-CB 3.86Å; F243-H266 HydrophobicContact CE2-CB 4.5Å; F243-H266 AromaticContact CE2-CD2 3.56Å; F243-H266 HydrophobicContact CG-CB 3.91Å; F243-H266 AromaticContact CG-CD2 3.56Å; F243-H266 AromaticContact CG-CG 3.57Å; F243-H266 AromaticContact CG-ND1 3.94Å; F243-H266 AromaticContact CG-NE2 3.94Å; F243-H266 HydrophobicContact CZ-CB 4.28Å; T262-H266 WeakPolarHBondContact O-CB 3.44Å; T262-H266 PolarHBondContact O-N 3.21Å; G263-H266 PolarHBondContact O-N 3.22Å; L264-H266 VanDerWaalsContact C-N 3.29Å; L264-H266 PolarHBondContact O-N 3.08Å; H266-I268 PolarHBondContact O-N 3.21Å; H266-S269 PolarHBondContact O-N 3.42Å; H266-R270 PolarHBondContact CD2-NE 3.25Å; H266-R270 PolarHBondContact CE1-NE 3.23Å; H266-R270 PolarHBondContact NE2-NE 3.4Å; H266-R270 WeakPolarHBondContact O-CB 3.43Å; H266-R270 WeakPolarHBondContact O-CG 3.49Å; H266-R270 PolarHBondContact O-N 3.07Å
267C98.6Very high96.5Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-56.4-49172.2-72.30000111.9T224 E227 G263 L264 S269 R270 S271 M283 F296T224-C267 HydrophobicContact CG2-CB 3.94Å; E227-C267 PolarHBondContact N-SG 2.88Å; G263-C267 PolarHBondContact O-N 2.69Å; G263-C267 PolarHBondContact O-SG 3.34Å; G263-C267 VanDerWaalsContact O-SG 3.42Å; L264-C267 WeakPolarHBondContact O-CB 3.33Å; L264-C267 PolarHBondContact O-N 3.32Å; C267-S269 PolarHBondContact O-N 3.15Å; C267-R270 PolarHBondContact O-N 3.43Å; C267-S271 VanDerWaalsContact O-CB 3.23Å; C267-S271 WeakPolarHBondContact O-CB 3.22Å; C267-S271 PolarHBondContact O-N 2.92Å; C267-S271 PolarHBondContact O-OG 2.76Å; C267-M283 HydrophobicContact CB-CE 4.37Å; C267-M283 HydrophobicContact CB-CG 3.94Å; C267-M283 HydrophobicContact CB-SD 3.8Å; C267-F296 HydrophobicContact CB-CD2 4.45Å; C267-F296 HydrophobicContact CB-CE2 4.31Å
268I98.5Very high96.5Very high30 Ų3036.6 Ų36.615%0.15419%0.191CC..Hα-helixtrans-58-49.7178.6-70.6166.5000110.9L264 Q265 H266 R270 S271 I272 F296 A299L264-I268 HydrophobicContact CD1-CD1 4.14Å; L264-I268 HydrophobicContact CD1-CG1 4.37Å; L264-I268 HydrophobicContact CG-CD1 3.99Å; L264-I268 WeakPolarHBondContact O-CG1 3.34Å; L264-I268 PolarHBondContact O-N 3.31Å; Q265-I268 PolarHBondContact O-N 2.78Å; H266-I268 PolarHBondContact O-N 3.21Å; I268-R270 PolarHBondContact O-N 2.6Å; I268-S271 PolarHBondContact O-N 3.49Å; I268-I272 HydrophobicContact CG2-CD1 3.77Å; I268-I272 WeakPolarHBondContact O-CB 3.49Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.25Å; I268-I272 PolarHBondContact O-N 3.06Å; I268-F296 HydrophobicContact CG1-CD2 3.89Å; I268-A299 HydrophobicContact CB-CB 4.47Å; I268-A299 HydrophobicContact CD1-CB 3.74Å; I268-A299 HydrophobicContact CG1-CB 3.98Å; I268-A299 HydrophobicContact CG2-CB 3.63Å
269S98.4Very high96.5Very high41 Ų4136.4 Ų36.429%0.28719%0.19SC..Hα-helixtrans-59.5-47-179.5-175.80000111.9Q265 H266 C267 A273Q265-S269 WeakPolarHBondContact O-CB 3.43Å; Q265-S269 PolarHBondContact O-N 2.99Å; H266-S269 PolarHBondContact O-N 3.42Å; C267-S269 PolarHBondContact O-N 3.15Å; S269-A273 PolarHBondContact O-N 3.17Å; S269-A273 VanDerWaalsContact O-N 3.13Å
270R98.7Very high96.7Very high1 Ų132.5 Ų32.50%0.00417%0.173CC..Hα-helixtrans-62.5-49.5176.7-78.5-177.6168.7-109.2-12.6112D178 I195 I232 D240 H266 C267 I268 I272 A273 Y274D178-R270 WeakPolarHBondContact OD2-CD 3.27Å; D178-R270 IonicContact OD2-CZ 3.23Å; D178-R270 IonicContact OD2-NE 3.48Å; D178-R270 IonicContact OD2-NH1 3.46Å; D178-R270 PolarHBondContact OD2-NH1 3.35Å; I195-R270 PolarHBondContact O-NH1 3.02Å; I195-R270 PolarHBondContact O-NH2 3.45Å; I195-R270 VanDerWaalsContact O-NH2 3.1Å; I232-R270 VanDerWaalsContact CD1-NH2 3.33Å; D240-R270 VanDerWaalsContact CG-NH2 3.29Å; D240-R270 IonicContact OD1-CZ 2.69Å; D240-R270 IonicContact OD1-NE 2.69Å; D240-R270 IonicContact OD1-NH2 2.8Å; D240-R270 PolarHBondContact OD1-NH2 2.96Å; D240-R270 IonicContact OD2-NH2 3.87Å; D240-R270 PolarHBondContact OD2-NH2 3.15Å; H266-R270 PolarHBondContact CD2-NE 3.25Å; H266-R270 PolarHBondContact CE1-NE 3.23Å; H266-R270 PolarHBondContact NE2-NE 3.4Å; H266-R270 WeakPolarHBondContact O-CB 3.43Å; H266-R270 WeakPolarHBondContact O-CG 3.49Å; H266-R270 PolarHBondContact O-N 3.07Å; C267-R270 PolarHBondContact O-N 3.43Å; I268-R270 PolarHBondContact O-N 2.6Å; R270-I272 VanDerWaalsContact C-N 3.34Å; R270-I272 PolarHBondContact O-N 3.22Å; R270-A273 CarbonylContact O-C 3.57Å; R270-A273 WeakPolarHBondContact O-CA 3.49Å; R270-A273 WeakPolarHBondContact O-CB 3.32Å; R270-A273 PolarHBondContact O-N 2.92Å; R270-Y274 HydrophobicContact CB-CD2 4.28Å; R270-Y274 HydrophobicContact CB-CE2 3.63Å; R270-Y274 HydrophobicContact CG-CE2 4.37Å; R270-Y274 PolarHBondContact NH1-OH 2.83Å; R270-Y274 WeakPolarHBondContact O-CD1 3.18Å; R270-Y274 WeakPolarHBondContact O-CD2 3.2Å; R270-Y274 PolarHBondContact O-N 3.03Å
271S98.6Very high97.3Very high1 Ų125.4 Ų25.41%0.00714%0.14CC..Hα-helixtrans-62.2-38.3-179.7-67.90000112.7C267 I268 A273 Y274 A275 L281 F296C267-S271 VanDerWaalsContact O-CB 3.23Å; C267-S271 WeakPolarHBondContact O-CB 3.22Å; C267-S271 PolarHBondContact O-N 2.92Å; C267-S271 PolarHBondContact O-OG 2.76Å; I268-S271 PolarHBondContact O-N 3.49Å; S271-A273 VanDerWaalsContact C-N 3.35Å; S271-Y274 PolarHBondContact O-N 3.18Å; S271-A275 WeakPolarHBondContact O-CB 3.45Å; S271-A275 PolarHBondContact O-N 3.49Å; S271-L281 WeakPolarHBondContact O-CD1 3.1Å; S271-F296 VanDerWaalsContact OG-CE2 3.29Å; S271-F296 WeakPolarHBondContact OG-CE2 3.46Å; S271-F296 VanDerWaalsContact OG-CZ 3.23Å; S271-F296 WeakPolarHBondContact OG-CZ 3.31Å
272I98.3Very high97.8Very high47 Ų4718 Ų1824%0.24110%0.101CC..Hα-helixtrans-61-44171.5-71.8166.9000110.7I268 R270 Y274 A275 V303 Y304I268-I272 HydrophobicContact CG2-CD1 3.77Å; I268-I272 WeakPolarHBondContact O-CB 3.49Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.25Å; I268-I272 PolarHBondContact O-N 3.06Å; R270-I272 VanDerWaalsContact C-N 3.34Å; R270-I272 PolarHBondContact O-N 3.22Å; I272-Y274 VanDerWaalsContact C-N 3.32Å; I272-Y274 PolarHBondContact O-N 2.94Å; I272-A275 PolarHBondContact O-N 2.83Å; I272-V303 HydrophobicContact CD1-CG2 3.94Å; I272-V303 HydrophobicContact CG1-CG2 4.29Å; I272-V303 HydrophobicContact CG2-CG1 4.18Å; I272-V303 HydrophobicContact CG2-CG2 4.45Å; I272-Y304 HydrophobicContact CG2-CE2 4.2Å; I272-Y304 WeakPolarHBondContact O-CE2 3.4Å
273A98.3Very high98Very high19 Ų1916.9 Ų16.916%0.1579%0.093CC..Hα-helixtrans-66.1-33.2177.500000113.2T197 S269 R270 S271T197-A273 HydrophobicContact CG2-CB 3.71Å; S269-A273 PolarHBondContact O-N 3.17Å; S269-A273 VanDerWaalsContact O-N 3.13Å; R270-A273 CarbonylContact O-C 3.57Å; R270-A273 WeakPolarHBondContact O-CA 3.49Å; R270-A273 WeakPolarHBondContact O-CB 3.32Å; R270-A273 PolarHBondContact O-N 2.92Å; S271-A273 VanDerWaalsContact C-N 3.35Å
274Y98.6Very high98.1Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-80.8-24.5179.6-57-27.7000113.7D178 T197 H200 I201 L204 C222 R270 S271 I272 P276 Y277 A278D178-Y274 HydrophobicContact CB-CE2 4.45Å; D178-Y274 PolarHBondContact OD2-OH 2.93Å; T197-Y274 HydrophobicContact CG2-CD1 4.42Å; T197-Y274 HydrophobicContact CG2-CE1 3.66Å; H200-Y274 HydrophobicContact CB-CE1 4.03Å; H200-Y274 AromaticContact ND1-CE1 3.93Å; H200-Y274 AromaticContact ND1-CE2 3.61Å; H200-Y274 AromaticContact ND1-CZ 3.61Å; I201-Y274 HydrophobicContact CD1-CD1 4.39Å; I201-Y274 HydrophobicContact CG1-CD1 3.78Å; I201-Y274 HydrophobicContact CG1-CE1 4.1Å; L204-Y274 HydrophobicContact CD1-CD1 4.36Å; L204-Y274 HydrophobicContact CD1-CG 4.29Å; C222-Y274 VanDerWaalsContact SG-CB 3.54Å; C222-Y274 WeakPolarHBondContact SG-CD2 3.28Å; C222-Y274 VanDerWaalsContact SG-CG 3.51Å; R270-Y274 HydrophobicContact CB-CD2 4.28Å; R270-Y274 HydrophobicContact CB-CE2 3.63Å; R270-Y274 HydrophobicContact CG-CE2 4.37Å; R270-Y274 PolarHBondContact NH1-OH 2.83Å; R270-Y274 WeakPolarHBondContact O-CD1 3.18Å; R270-Y274 WeakPolarHBondContact O-CD2 3.2Å; R270-Y274 PolarHBondContact O-N 3.03Å; S271-Y274 PolarHBondContact O-N 3.18Å; I272-Y274 VanDerWaalsContact C-N 3.32Å; I272-Y274 PolarHBondContact O-N 2.94Å; Y274-P276 VanDerWaalsContact C-CD 3.41Å; Y274-P276 VanDerWaalsContact C-N 3.31Å; Y274-P276 VanDerWaalsContact O-N 3.1Å; Y274-Y277 PolarHBondContact O-N 3.4Å; Y274-A278 PolarHBondContact O-N 3.36Å
275A98Very high98.1Very high0 Ų015.1 Ų15.10%08%0.081CC..G310 helixtrans-49.6-39.8-17200000114.8S271 I272 Y277 L281 Y304 K307S271-A275 WeakPolarHBondContact O-CB 3.45Å; S271-A275 PolarHBondContact O-N 3.49Å; I272-A275 PolarHBondContact O-N 2.83Å; A275-Y277 PolarHBondContact O-N 3.13Å; A275-L281 HydrophobicContact CB-CD1 3.86Å; A275-Y304 HydrophobicContact CB-CD1 4.39Å; A275-Y304 HydrophobicContact CB-CD2 3.36Å; A275-Y304 HydrophobicContact CB-CE1 4.42Å; A275-Y304 HydrophobicContact CB-CE2 3.39Å; A275-Y304 HydrophobicContact CB-CG 3.9Å; A275-K307 HydrophobicContact CB-CD 4.42Å; A275-K307 WeakPolarHBondContact O-CE 3.42Å; A275-K307 PolarHBondContact O-NZ 3.36Å
276P97.6Very high97.8Very high18 Ų1812.5 Ų12.512%0.1178%0.075CC..G310 helixtrans-69.4-17.7177.9-22.136.1000114.6T22 R23 Y274 Y304T22-P276 CarbonylContact C-O 3.58Å; T22-P276 WeakPolarHBondContact CA-O 3.43Å; R23-P276 HydrophobicContact CB-CB 3.78Å; R23-P276 PolarHBondContact N-O 3.47Å; Y274-P276 VanDerWaalsContact C-CD 3.41Å; Y274-P276 VanDerWaalsContact C-N 3.31Å; Y274-P276 VanDerWaalsContact O-N 3.1Å; P276-Y304 HydrophobicContact CG-CE1 4.29Å; P276-Y304 VanDerWaalsContact CG-OH 3.3Å; P276-Y304 WeakPolarHBondContact CG-OH 3.47Å
277Y98.3Very high97.6Very high27 Ų2717.8 Ų17.811%0.10610%0.098CC..G310 helixtrans-105.7-4.9-171.9-54.8-81.8000113R23 I201 Y274 A275R23-Y277 HydrophobicContact CB-CE1 4.17Å; R23-Y277 HydrophobicContact CG-CE1 4.16Å; R23-Y277 PolarHBondContact NH1-OH 2.8Å; I201-Y277 HydrophobicContact CD1-CD2 4.43Å; I201-Y277 HydrophobicContact CD1-CE2 4.09Å; I201-Y277 HydrophobicContact CG1-CD2 4.09Å; I201-Y277 HydrophobicContact CG1-CE2 4.19Å; I201-Y277 HydrophobicContact CG2-CD1 4.08Å; I201-Y277 HydrophobicContact CG2-CD2 3.89Å; I201-Y277 HydrophobicContact CG2-CE1 3.89Å; I201-Y277 HydrophobicContact CG2-CE2 3.71Å; I201-Y277 HydrophobicContact CG2-CG 4.06Å; Y274-Y277 PolarHBondContact O-N 3.4Å; A275-Y277 PolarHBondContact O-N 3.13Å
278A97.9Very high97.4Very high0 Ų018 Ų180%010%0.1CC..  trans-134.6158-179.700000111.7I220 C222 Y274 L281 K307I220-A278 HydrophobicContact CG2-CB 4.33Å; C222-A278 HydrophobicContact CB-CB 3.41Å; C222-A278 VanDerWaalsContact CB-CB 3.41Å; Y274-A278 PolarHBondContact O-N 3.36Å; A278-L281 HydrophobicContact CB-CD2 4.4Å; A278-K307 PolarHBondContact O-NZ 2.99Å
279D97.5Very high97.2Very high7 Ų719 Ų194%0.03711%0.105CC..SBendtrans-89.4-42-178.4-55-49000111.1R18 W53 R208 V219 I220R18-D279 IonicContact CZ-OD1 3.69Å; R18-D279 IonicContact CZ-OD2 3.33Å; R18-D279 IonicContact NH1-OD1 2.81Å; R18-D279 PolarHBondContact NH1-OD1 2.85Å; R18-D279 IonicContact NH1-OD2 3.93Å; R18-D279 IonicContact NH2-OD1 3.71Å; R18-D279 PolarHBondContact NH2-OD1 3.25Å; R18-D279 IonicContact NH2-OD2 3.67Å; R18-D279 PolarHBondContact NH2-OD2 3.48Å; W53-D279 HydrophobicContact CZ3-CB 4Å; R208-D279 IonicContact CZ-OD2 3.78Å; R208-D279 IonicContact NH1-OD2 2.82Å; R208-D279 IonicContact NH2-OD1 3.84Å; R208-D279 PolarHBondContact NH2-OD1 2.96Å; R208-D279 IonicContact NH2-OD2 3.92Å; R208-D279 PolarHBondContact NH2-OD2 3.49Å; V219-D279 WeakPolarHBondContact CA-OD2 3.32Å; V219-D279 HydrophobicContact CG1-CB 4.05Å; I220-D279 PolarHBondContact N-OD2 3.15Å; I220-D279 WeakPolarHBondContact O-CB 3.31Å; I220-D279 PolarHBondContact O-N 3.34Å
280L98.4Very high97.1Very high1 Ų118.8 Ų18.81%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-119.8149.9173-72.976.1000110.2L56 V219 I220 I221 C222 L308 A310L56-L280 HydrophobicContact CD1-CD1 3.91Å; L56-L280 HydrophobicContact CD1-CD2 4.32Å; L56-L280 HydrophobicContact CD2-CD2 4.23Å; V219-L280 HydrophobicContact CG1-CD1 3.54Å; I220-L280 PolarHBondContact O-N 3.01Å; I221-L280 WeakPolarHBondContact CA-O 3.27Å; I221-L280 HydrophobicContact CB-CB 4.36Å; I221-L280 HydrophobicContact CD1-CD2 4.48Å; I221-L280 HydrophobicContact CG1-CB 4.09Å; I221-L280 HydrophobicContact CG2-CB 4.03Å; C222-L280 PolarHBondContact N-O 2.93Å; L280-L308 VanDerWaalsContact CA-O 3.26Å; L280-L308 WeakPolarHBondContact CA-O 3.29Å; L280-L308 HydrophobicContact CD1-CB 4.34Å; L280-L308 HydrophobicContact CG-CB 3.82Å; L280-A310 HydrophobicContact CD2-CB 4.08Å
281L98.7Very high97Very high0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-113.4138171.6-61172.3000110.2C222 S271 A275 A278 V300 K307 L308 L309 A310C222-L281 HydrophobicContact CB-CD2 4.01Å; C222-L281 CarbonylContact O-C 3.13Å; C222-L281 WeakPolarHBondContact O-CA 3.47Å; S271-L281 WeakPolarHBondContact O-CD1 3.1Å; A275-L281 HydrophobicContact CB-CD1 3.86Å; A278-L281 HydrophobicContact CB-CD2 4.4Å; L281-V300 HydrophobicContact CD1-CG1 3.66Å; L281-K307 HydrophobicContact CD1-CD 4.12Å; L281-K307 HydrophobicContact CD1-CG 3.58Å; L281-K307 HydrophobicContact CG-CD 4.2Å; L281-K307 HydrophobicContact CG-CG 4.02Å; L281-L308 PolarHBondContact N-O 3.08Å; L281-L308 VanDerWaalsContact N-O 3.09Å; L281-L309 HydrophobicContact CB-CD2 4.01Å; L281-L309 CarbonylContact O-C 3.53Å; L281-L309 VanDerWaalsContact O-CA 3.26Å; L281-L309 WeakPolarHBondContact O-CA 3.43Å; L281-A310 PolarHBondContact O-N 2.79Å
282W98.6Very high96.8Very high1 Ų128.1 Ų28.10%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-130.4126.8178.1170.320.5000109H175 I221 C222 R223 T224 E284 A310 N312 F344H175-W282 AromaticContact CD2-CZ3 3.94Å; H175-W282 AromaticContact CE1-CZ3 3.54Å; H175-W282 AromaticContact CG-CZ3 3.9Å; H175-W282 AromaticContact ND1-CZ3 3.67Å; H175-W282 AromaticContact NE2-CZ3 3.69Å; I221-W282 HydrophobicContact CG2-CB 4.19Å; C222-W282 PolarHBondContact O-N 3.01Å; R223-W282 CarbonylContact C-O 3.53Å; R223-W282 VanDerWaalsContact CA-O 3.25Å; R223-W282 WeakPolarHBondContact CA-O 3.42Å; R223-W282 HydrophobicContact CB-CB 4.4Å; R223-W282 HydrophobicContact CB-CD2 4.04Å; R223-W282 HydrophobicContact CB-CE3 3.75Å; R223-W282 HydrophobicContact CB-CG 4.39Å; R223-W282 HydrophobicContact CB-CZ3 4.33Å; R223-W282 HydrophobicContact CG-CD2 3.97Å; R223-W282 HydrophobicContact CG-CE3 3.99Å; R223-W282 HydrophobicContact CG-CG 4.43Å; R223-W282 HydrophobicContact CG-CZ3 4.36Å; T224-W282 PolarHBondContact N-O 2.92Å; W282-E284 VanDerWaalsContact CZ2-CD 3.46Å; W282-E284 HydrophobicContact CZ2-CG 3.82Å; W282-A310 HydrophobicContact CB-CB 4.25Å; W282-N312 HydrophobicContact CZ2-CB 3.58Å; W282-F344 AromaticContact CD2-CZ 3.99Å; W282-F344 HydrophobicContact CD2-CZ 3.99Å; W282-F344 AromaticContact CE2-CZ 3.95Å; W282-F344 AromaticContact CE3-CZ 3.83Å; W282-F344 HydrophobicContact CE3-CZ 3.83Å; W282-F344 AromaticContact CH2-CE2 3.78Å; W282-F344 HydrophobicContact CH2-CE2 3.78Å; W282-F344 AromaticContact CH2-CZ 3.67Å; W282-F344 HydrophobicContact CH2-CZ 3.67Å; W282-F344 HydrophobicContact CZ2-CE2 4.07Å; W282-F344 AromaticContact CZ2-CZ 3.84Å; W282-F344 HydrophobicContact CZ2-CZ 3.84Å; W282-F344 HydrophobicContact CZ3-CE2 4.1Å; W282-F344 AromaticContact CZ3-CZ 3.64Å; W282-F344 HydrophobicContact CZ3-CZ 3.64Å
283M98.2Very high96.8Very high7 Ų726 Ų263%0.03413%0.131CC..EExtended strand (participates in β ladder)trans-103123.3166.3167.8-173.5166.700108.4T224 E227 L264 C267 T285 F296T224-M283 HydrophobicContact CG2-CB 4.35Å; E227-M283 HydrophobicContact CB-CE 3.83Å; E227-M283 HydrophobicContact CG-CE 3.64Å; L264-M283 HydrophobicContact CD1-CE 3.78Å; L264-M283 HydrophobicContact CD1-SD 3.78Å; C267-M283 HydrophobicContact CB-CE 4.37Å; C267-M283 HydrophobicContact CB-CG 3.94Å; C267-M283 HydrophobicContact CB-SD 3.8Å; M283-T285 HydrophobicContact CE-CG2 4.22Å; M283-T285 HydrophobicContact CG-CG2 4.49Å; M283-F296 HydrophobicContact CB-CD1 4.33Å; M283-F296 HydrophobicContact CB-CD2 4.02Å; M283-F296 HydrophobicContact CB-CE1 4.07Å; M283-F296 HydrophobicContact CB-CE2 3.76Å; M283-F296 HydrophobicContact CB-CG 4.29Å; M283-F296 HydrophobicContact CB-CZ 3.77Å; M283-F296 HydrophobicContact CG-CD2 4.38Å; M283-F296 HydrophobicContact CG-CE2 4.44Å; M283-F296 HydrophobicContact SD-CB 4.09Å; M283-F296 HydrophobicContact SD-CD2 3.59Å; M283-F296 VanDerWaalsContact SD-CD2 3.59Å; M283-F296 HydrophobicContact SD-CE2 4.2Å; M283-F296 HydrophobicContact SD-CG 3.9Å
284E97Very high96.8Very high3 Ų328.6 Ų28.61%0.01414%0.141CC..  trans-68145.2166-85.8-80.2-134.200111.1H188 R223 T224 E227 W282 N312H188-E284 IonicContact CE1-OE1 2.68Å; H188-E284 PolarHBondContact CE1-OE1 2.88Å; H188-E284 IonicContact CE1-OE2 3.48Å; H188-E284 IonicContact ND1-OE1 3.51Å; H188-E284 IonicContact NE2-OE2 3.55Å; R223-E284 HydrophobicContact CG-CG 4.35Å; R223-E284 VanDerWaalsContact CZ-CG 3.42Å; R223-E284 IonicContact CZ-OE1 3.76Å; R223-E284 VanDerWaalsContact CZ-OE1 3.25Å; R223-E284 VanDerWaalsContact NE-CG 3.32Å; R223-E284 IonicContact NE-OE1 2.84Å; R223-E284 IonicContact NH1-OE1 2.91Å; R223-E284 IonicContact NH2-OE1 3.55Å; R223-E284 PolarHBondContact NH2-OE1 2.89Å; T224-E284 PolarHBondContact O-N 3.23Å; T224-E284 VanDerWaalsContact O-N 3.1Å; E227-E284 WeakPolarHBondContact CB-O 3.27Å; W282-E284 VanDerWaalsContact CZ2-CD 3.46Å; W282-E284 HydrophobicContact CZ2-CG 3.82Å; E284-N312 PolarHBondContact OE1-ND2 3.41Å; E284-N312 PolarHBondContact OE2-ND2 3.04Å
285T95.5Very high96.7Very high5 Ų531.9 Ų31.93%0.03116%0.158CC..  trans-127.3143.9-176.459.10000109.7H188 M283 K287 Y311 F317H188-T285 PolarHBondContact NE2-O 3.01Å; M283-T285 HydrophobicContact CE-CG2 4.22Å; M283-T285 HydrophobicContact CG-CG2 4.49Å; T285-K287 VanDerWaalsContact C-N 3.28Å; T285-K287 PolarHBondContact O-N 2.99Å; T285-K287 PolarHBondContact OG1-O 3.27Å; T285-Y311 HydrophobicContact CG2-CE2 4.29Å; T285-Y311 PolarHBondContact OG1-OH 3.39Å; T285-F317 WeakPolarHBondContact O-CE1 3.49Å; T285-F317 WeakPolarHBondContact O-CZ 3.28Å
286S92.5Very high96.8Very high54 Ų5431.9 Ų31.938%0.37816%0.158SC..SBendtrans-77.6-13.9175.8-710000113.3E227 F317E227-S286 VanDerWaalsContact CD-OG 3.27Å; E227-S286 VanDerWaalsContact OE1-CB 3.31Å; E227-S286 WeakPolarHBondContact OE1-CB 3.42Å; E227-S286 PolarHBondContact OE1-OG 3.25Å; E227-S286 VanDerWaalsContact OE1-OG 3.08Å; E227-S286 PolarHBondContact OE2-N 3.19Å; E227-S286 PolarHBondContact OE2-OG 2.92Å; S286-F317 VanDerWaalsContact C-CE1 3.48Å
287K93.3Very high96.8Very high112 Ų11231.2 Ų31.249%0.48715%0.154SC..SBendtrans-149.1154.4-175.6-61.6174.8-170.1163.90110.3T285 N289T285-K287 VanDerWaalsContact C-N 3.28Å; T285-K287 PolarHBondContact O-N 2.99Å; T285-K287 PolarHBondContact OG1-O 3.27Å; K287-N289 PolarHBondContact O-N 3.49Å
288P94.1Very high96.8Very high5 Ų534.7 Ų34.73%0.03217%0.171CC..  trans-75.992.417232.2-31.5000109.4F317 W319 K322 L323 F331P288-F317 HydrophobicContact CB-CD2 3.77Å; P288-F317 HydrophobicContact CB-CE2 4.1Å; P288-F317 HydrophobicContact CB-CG 4.46Å; P288-F317 HydrophobicContact CG-CB 4.16Å; P288-F317 HydrophobicContact CG-CD2 3.93Å; P288-F317 HydrophobicContact CG-CG 4.13Å; P288-W319 HydrophobicContact CB-CE3 4.41Å; P288-W319 HydrophobicContact CB-CH2 4.33Å; P288-W319 HydrophobicContact CB-CZ3 4.15Å; P288-K322 HydrophobicContact CG-CB 4.07Å; P288-L323 HydrophobicContact CB-CD1 3.85Å; P288-L323 HydrophobicContact CG-CD1 3.83Å; P288-L323 HydrophobicContact CG-CG 4.17Å; P288-F331 HydrophobicContact CB-CE1 4.32Å; P288-F331 HydrophobicContact CB-CE2 3.94Å; P288-F331 HydrophobicContact CB-CZ 3.64Å
289N95.2Very high96.8Very high49 Ų4935.6 Ų35.626%0.26218%0.179SC..  trans-127.2103.3-171.2-174.2-14.6000112.2K287 K291 E292 A293K287-N289 PolarHBondContact O-N 3.49Å; N289-K291 VanDerWaalsContact C-N 3.26Å; N289-K291 PolarHBondContact O-N 3.07Å; N289-K291 WeakPolarHBondContact OD1-CB 3.47Å; N289-K291 PolarHBondContact OD1-N 3.4Å; N289-E292 HydrophobicContact CB-CB 4.21Å; N289-E292 HydrophobicContact CB-CG 4.47Å; N289-E292 VanDerWaalsContact ND2-CD 3.25Å; N289-E292 PolarHBondContact ND2-OE1 2.84Å; N289-E292 PolarHBondContact O-N 3.41Å; N289-E292 PolarHBondContact OD1-N 2.6Å; N289-A293 WeakPolarHBondContact O-CB 3.41Å; N289-A293 PolarHBondContact O-N 2.94Å
290L95.9Very high96.8Very high38 Ų3835.2 Ų35.220%0.19918%0.177CC..Hα-helixtrans-62-30.2179.1-71.6176.1000113.4A293 M294 T327 F331 E334 L335 M338L290-A293 PolarHBondContact O-N 3.24Å; L290-M294 VanDerWaalsContact O-CB 3.31Å; L290-M294 WeakPolarHBondContact O-CB 3.3Å; L290-M294 PolarHBondContact O-N 3.24Å; L290-T327 HydrophobicContact CD1-CG2 4.34Å; L290-F331 HydrophobicContact CD1-CD2 4.16Å; L290-F331 HydrophobicContact CD1-CE2 4.44Å; L290-F331 HydrophobicContact CD2-CD2 3.93Å; L290-F331 HydrophobicContact CD2-CE2 3.83Å; L290-F331 HydrophobicContact CD2-CG 4.38Å; L290-F331 HydrophobicContact CD2-CZ 4.19Å; L290-F331 HydrophobicContact CG-CD2 3.82Å; L290-F331 HydrophobicContact CG-CE2 3.65Å; L290-F331 HydrophobicContact CG-CZ 4.41Å; L290-E334 HydrophobicContact CD1-CB 3.98Å; L290-E334 HydrophobicContact CD1-CG 4.25Å; L290-E334 HydrophobicContact CD2-CB 3.99Å; L290-L335 HydrophobicContact CD2-CD2 3.84Å; L290-L335 HydrophobicContact CD2-CG 3.82Å; L290-M338 HydrophobicContact CB-CE 4.38Å; L290-M338 HydrophobicContact CD2-CE 4.21Å
291K95.9Very high96.7Very high144 Ų14439.5 Ų39.563%0.62619%0.193SC*.Hα-helixtrans-70.1-45.3179.9-175.8-179.5178.7-178.50111.2N289 A293 M294 L295N289-K291 VanDerWaalsContact C-N 3.26Å; N289-K291 PolarHBondContact O-N 3.07Å; N289-K291 WeakPolarHBondContact OD1-CB 3.47Å; N289-K291 PolarHBondContact OD1-N 3.4Å; K291-A293 VanDerWaalsContact C-N 3.34Å; K291-M294 PolarHBondContact O-N 3.14Å; K291-L295 HydrophobicContact CG-CD1 4.42Å; K291-L295 WeakPolarHBondContact O-CG 3.41Å; K291-L295 PolarHBondContact O-N 2.68Å
292E95.3Very high96.7Very high54 Ų5449 Ų4925%0.25223%0.229SC..Hα-helixtrans-63.6-42.6174.2-79.3169.4-150.700111.1N289 M294 L295 F296N289-E292 HydrophobicContact CB-CB 4.21Å; N289-E292 HydrophobicContact CB-CG 4.47Å; N289-E292 VanDerWaalsContact ND2-CD 3.25Å; N289-E292 PolarHBondContact ND2-OE1 2.84Å; N289-E292 PolarHBondContact O-N 3.41Å; N289-E292 PolarHBondContact OD1-N 2.6Å; E292-M294 VanDerWaalsContact C-N 3.32Å; E292-M294 PolarHBondContact O-N 3.34Å; E292-L295 PolarHBondContact O-N 3.27Å; E292-F296 WeakPolarHBondContact O-CB 3.43Å; E292-F296 PolarHBondContact O-N 2.98Å
293A98Very high96.6Very high2 Ų252.5 Ų52.52%0.01725%0.25CS..Hα-helixtrans-58.5-43175.700000112N289 L290 K291 A297 Y311 L335 M338 Y340N289-A293 WeakPolarHBondContact O-CB 3.41Å; N289-A293 PolarHBondContact O-N 2.94Å; L290-A293 PolarHBondContact O-N 3.24Å; K291-A293 VanDerWaalsContact C-N 3.34Å; A293-A297 WeakPolarHBondContact O-CB 3.19Å; A293-A297 PolarHBondContact O-N 3.47Å; A293-Y311 HydrophobicContact CB-CD2 4.4Å; A293-Y311 HydrophobicContact CB-CE2 3.87Å; A293-L335 HydrophobicContact CB-CD2 3.61Å; A293-M338 HydrophobicContact CB-SD 4.35Å; A293-Y340 VanDerWaalsContact C-OH 3.31Å; A293-Y340 VanDerWaalsContact CA-OH 3.3Å; A293-Y340 WeakPolarHBondContact CA-OH 3.48Å; A293-Y340 HydrophobicContact CB-CE2 3.81Å; A293-Y340 WeakPolarHBondContact O-CE2 3.26Å; A293-Y340 PolarHBondContact O-OH 3.46Å
294M98Very high96.5Very high73 Ų7355.4 Ų55.436%0.3626%0.261SS..Hα-helixtrans-64-48.1176.5-176-179.671.600111.7L290 K291 E292 F296 A297 E298 M338L290-M294 VanDerWaalsContact O-CB 3.31Å; L290-M294 WeakPolarHBondContact O-CB 3.3Å; L290-M294 PolarHBondContact O-N 3.24Å; K291-M294 PolarHBondContact O-N 3.14Å; E292-M294 VanDerWaalsContact C-N 3.32Å; E292-M294 PolarHBondContact O-N 3.34Å; M294-F296 VanDerWaalsContact C-N 3.34Å; M294-F296 PolarHBondContact O-N 3.29Å; M294-A297 PolarHBondContact O-N 3.31Å; M294-E298 HydrophobicContact CG-CG 4.44Å; M294-E298 WeakPolarHBondContact O-CB 3.45Å; M294-E298 WeakPolarHBondContact O-CG 3.39Å; M294-E298 PolarHBondContact O-N 2.93Å; M294-M338 HydrophobicContact CB-CE 4.11Å; M294-M338 HydrophobicContact CB-SD 3.88Å
295L97.9Very high96.4Very high70 Ų7058.9 Ų58.937%0.36628%0.284SS..Hα-helixtrans-60.7-42.4179.6-72171.6000112.2L264 K291 E292 A299L264-L295 HydrophobicContact CD2-CB 4.27Å; L264-L295 HydrophobicContact CD2-CD1 4.22Å; K291-L295 HydrophobicContact CG-CD1 4.42Å; K291-L295 WeakPolarHBondContact O-CG 3.41Å; K291-L295 PolarHBondContact O-N 2.68Å; E292-L295 PolarHBondContact O-N 3.27Å; L295-A299 WeakPolarHBondContact O-CB 3.24Å; L295-A299 PolarHBondContact O-N 2.88Å; L295-A299 VanDerWaalsContact O-N 3.11Å
296F98.6Very high96.3Very high0 Ų065.7 Ų65.70%032%0.32CS..Hα-helixtrans-62.2-48.6174.8176.5-97.1000111.5L264 C267 I268 S271 M283 E292 M294 E298 A299 V300 L309 Y340L264-F296 HydrophobicContact CD1-CB 4.22Å; C267-F296 HydrophobicContact CB-CD2 4.45Å; C267-F296 HydrophobicContact CB-CE2 4.31Å; I268-F296 HydrophobicContact CG1-CD2 3.89Å; S271-F296 VanDerWaalsContact OG-CE2 3.29Å; S271-F296 WeakPolarHBondContact OG-CE2 3.46Å; S271-F296 VanDerWaalsContact OG-CZ 3.23Å; S271-F296 WeakPolarHBondContact OG-CZ 3.31Å; M283-F296 HydrophobicContact CB-CD1 4.33Å; M283-F296 HydrophobicContact CB-CD2 4.02Å; M283-F296 HydrophobicContact CB-CE1 4.07Å; M283-F296 HydrophobicContact CB-CE2 3.76Å; M283-F296 HydrophobicContact CB-CG 4.29Å; M283-F296 HydrophobicContact CB-CZ 3.77Å; M283-F296 HydrophobicContact CG-CD2 4.38Å; M283-F296 HydrophobicContact CG-CE2 4.44Å; M283-F296 HydrophobicContact SD-CB 4.09Å; M283-F296 HydrophobicContact SD-CD2 3.59Å; M283-F296 VanDerWaalsContact SD-CD2 3.59Å; M283-F296 HydrophobicContact SD-CE2 4.2Å; M283-F296 HydrophobicContact SD-CG 3.9Å; E292-F296 WeakPolarHBondContact O-CB 3.43Å; E292-F296 PolarHBondContact O-N 2.98Å; M294-F296 VanDerWaalsContact C-N 3.34Å; M294-F296 PolarHBondContact O-N 3.29Å; F296-E298 PolarHBondContact O-N 3.07Å; F296-A299 PolarHBondContact O-N 3.39Å; F296-V300 HydrophobicContact CD1-CG2 4.47Å; F296-V300 HydrophobicContact CD2-CG2 4.41Å; F296-V300 HydrophobicContact CE1-CG2 4.12Å; F296-V300 HydrophobicContact CE2-CG2 4.01Å; F296-V300 HydrophobicContact CZ-CG2 3.87Å; F296-V300 WeakPolarHBondContact O-CG2 3.44Å; F296-V300 PolarHBondContact O-N 3.39Å; F296-L309 HydrophobicContact CE1-CD2 4.16Å; F296-Y340 WeakPolarHBondContact CD1-OH 3.33Å
297A98.4Very high96.4Very high3 Ų363.6 Ų63.63%0.02530%0.304CS..Hα-helixtrans-61.1-47.2-178.700000112.1A293 M294 A299 V300 R301 L309 M338 Y340A293-A297 WeakPolarHBondContact O-CB 3.19Å; A293-A297 PolarHBondContact O-N 3.47Å; M294-A297 PolarHBondContact O-N 3.31Å; A297-A299 PolarHBondContact O-N 3.26Å; A297-V300 PolarHBondContact O-N 3.36Å; A297-R301 VanDerWaalsContact O-CB 3.28Å; A297-R301 WeakPolarHBondContact O-CB 3.36Å; A297-R301 VanDerWaalsContact O-CG 3.26Å; A297-R301 WeakPolarHBondContact O-CG 3.43Å; A297-R301 PolarHBondContact O-N 3.19Å; A297-L309 HydrophobicContact CB-CD1 3.43Å; A297-L309 VanDerWaalsContact CB-CD1 3.43Å; A297-M338 HydrophobicContact CB-CB 4.19Å; A297-Y340 HydrophobicContact CB-CE2 4.03Å
298E98.1Very high96.6Very high100 Ų10059.4 Ų59.447%0.46729%0.287SS..Hα-helixtrans-61.1-43.4177.7-74.2-179.6178.500112.1M294 F296 R302M294-E298 HydrophobicContact CG-CG 4.44Å; M294-E298 WeakPolarHBondContact O-CB 3.45Å; M294-E298 WeakPolarHBondContact O-CG 3.39Å; M294-E298 PolarHBondContact O-N 2.93Å; F296-E298 PolarHBondContact O-N 3.07Å; E298-R302 WeakPolarHBondContact O-CB 3.4Å; E298-R302 PolarHBondContact O-N 3.06Å
299A98.1Very high96.9Very high19 Ų1959.1 Ų59.116%0.15729%0.285CS..Hα-helixtrans-66.1-44.3-178.600000112.2I268 L295 F296 A297I268-A299 HydrophobicContact CB-CB 4.47Å; I268-A299 HydrophobicContact CD1-CB 3.74Å; I268-A299 HydrophobicContact CG1-CB 3.98Å; I268-A299 HydrophobicContact CG2-CB 3.63Å; L295-A299 WeakPolarHBondContact O-CB 3.24Å; L295-A299 PolarHBondContact O-N 2.88Å; L295-A299 VanDerWaalsContact O-N 3.11Å; F296-A299 PolarHBondContact O-N 3.39Å; A297-A299 PolarHBondContact O-N 3.26Å
300V97.8Very high97Very high0 Ų056.8 Ų56.80%027%0.273CS..Hα-helixtrans-64.6-48176.2168.40000110.7L281 F296 A297 R302 V303 Y304 K307 L309L281-V300 HydrophobicContact CD1-CG1 3.66Å; F296-V300 HydrophobicContact CD1-CG2 4.47Å; F296-V300 HydrophobicContact CD2-CG2 4.41Å; F296-V300 HydrophobicContact CE1-CG2 4.12Å; F296-V300 HydrophobicContact CE2-CG2 4.01Å; F296-V300 HydrophobicContact CZ-CG2 3.87Å; F296-V300 WeakPolarHBondContact O-CG2 3.44Å; F296-V300 PolarHBondContact O-N 3.39Å; A297-V300 PolarHBondContact O-N 3.36Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 3.04Å; V300-V303 PolarHBondContact O-N 3.32Å; V300-V303 VanDerWaalsContact O-N 3.09Å; V300-Y304 PolarHBondContact O-N 3.38Å; V300-K307 HydrophobicContact CG1-CB 4.23Å; V300-K307 HydrophobicContact CG1-CG 4.11Å; V300-L309 HydrophobicContact CG1-CD2 4.16Å
301R96.6Very high97.2Very high91 Ų9155.1 Ų55.134%0.34326%0.264SS..Hα-helixtrans-73.8-19.4-175-65.7-178.573.1174.62.5113.4A297 V303 Y304 P305 M338A297-R301 VanDerWaalsContact O-CB 3.28Å; A297-R301 WeakPolarHBondContact O-CB 3.36Å; A297-R301 VanDerWaalsContact O-CG 3.26Å; A297-R301 WeakPolarHBondContact O-CG 3.43Å; A297-R301 PolarHBondContact O-N 3.19Å; R301-V303 PolarHBondContact O-N 3.05Å; R301-Y304 WeakPolarHBondContact CA-O 3.41Å; R301-Y304 CarbonylContact O-C 3.36Å; R301-P305 PolarHBondContact NE-O 2.94Å; R301-P305 PolarHBondContact NH2-O 2.84Å; R301-P305 VanDerWaalsContact NH2-O 3.11Å; R301-P305 WeakPolarHBondContact O-CA 3.24Å; R301-P305 VanDerWaalsContact O-N 3.11Å; R301-M338 PolarHBondContact NH1-O 3.45Å; R301-M338 VanDerWaalsContact NH1-O 3.13Å
302R97.4Very high97.3Very high198 Ų19848.5 Ų48.575%0.74724%0.235SC*.Hα-helixtrans-59.6-33.8167.4-170.4179.5-58.5163.54.7112.3E298 V300E298-R302 WeakPolarHBondContact O-CB 3.4Å; E298-R302 PolarHBondContact O-N 3.06Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 3.04Å
303V97Very high97.4Very high75 Ų7546 Ų4646%0.45522%0.224SC..Hα-helixtrans-94.4-38.6178.4-172.60000111.5I272 V300 R301I272-V303 HydrophobicContact CD1-CG2 3.94Å; I272-V303 HydrophobicContact CG1-CG2 4.29Å; I272-V303 HydrophobicContact CG2-CG1 4.18Å; I272-V303 HydrophobicContact CG2-CG2 4.45Å; V300-V303 PolarHBondContact O-N 3.32Å; V300-V303 VanDerWaalsContact O-N 3.09Å; R301-V303 PolarHBondContact O-N 3.05Å
304Y96.1Very high97.4Very high69 Ų6945.9 Ų45.927%0.27122%0.223SC..SBendtrans-127.382.8179.1-62.1-79.8000110.9I272 A275 P276 V300 R301 D306 K307I272-Y304 HydrophobicContact CG2-CE2 4.2Å; I272-Y304 WeakPolarHBondContact O-CE2 3.4Å; A275-Y304 HydrophobicContact CB-CD1 4.39Å; A275-Y304 HydrophobicContact CB-CD2 3.36Å; A275-Y304 HydrophobicContact CB-CE1 4.42Å; A275-Y304 HydrophobicContact CB-CE2 3.39Å; A275-Y304 HydrophobicContact CB-CG 3.9Å; P276-Y304 HydrophobicContact CG-CE1 4.29Å; P276-Y304 VanDerWaalsContact CG-OH 3.3Å; P276-Y304 WeakPolarHBondContact CG-OH 3.47Å; V300-Y304 PolarHBondContact O-N 3.38Å; R301-Y304 WeakPolarHBondContact CA-O 3.41Å; R301-Y304 CarbonylContact O-C 3.36Å; Y304-D306 PolarHBondContact O-N 2.76Å; Y304-D306 VanDerWaalsContact O-N 3.09Å; Y304-K307 VanDerWaalsContact O-CB 3.24Å; Y304-K307 WeakPolarHBondContact O-CB 3.17Å; Y304-K307 PolarHBondContact O-N 3.16Å
305P95Very high97.2Very high76 Ų7644 Ų4449%0.49422%0.216SC..THydrogen-bonded Turntrans-53.2-36.2-170.5-30.336.5000115.6R301R301-P305 PolarHBondContact NE-O 2.94Å; R301-P305 PolarHBondContact NH2-O 2.84Å; R301-P305 VanDerWaalsContact NH2-O 3.11Å; R301-P305 WeakPolarHBondContact O-CA 3.24Å; R301-P305 VanDerWaalsContact O-N 3.11Å
306D92.4Very high97Very high147 Ų14743.4 Ų43.479%0.78622%0.218SC*.THydrogen-bonded Turntrans-968.9-176.4-52-47000113.2Y304 L308Y304-D306 PolarHBondContact O-N 2.76Å; Y304-D306 VanDerWaalsContact O-N 3.09Å; D306-L308 PolarHBondContact O-N 2.65Å
307K96.3Very high96.7Very high11 Ų1144.1 Ų44.15%0.04822%0.221CC..  trans-70.5123.1-178.6-167.55652.5175.10110.2A275 A278 L281 V300 Y304A275-K307 HydrophobicContact CB-CD 4.42Å; A275-K307 WeakPolarHBondContact O-CE 3.42Å; A275-K307 PolarHBondContact O-NZ 3.36Å; A278-K307 PolarHBondContact O-NZ 2.99Å; L281-K307 HydrophobicContact CD1-CD 4.12Å; L281-K307 HydrophobicContact CD1-CG 3.58Å; L281-K307 HydrophobicContact CG-CD 4.2Å; L281-K307 HydrophobicContact CG-CG 4.02Å; V300-K307 HydrophobicContact CG1-CB 4.23Å; V300-K307 HydrophobicContact CG1-CG 4.11Å; Y304-K307 VanDerWaalsContact O-CB 3.24Å; Y304-K307 WeakPolarHBondContact O-CB 3.17Å; Y304-K307 PolarHBondContact O-N 3.16Å
308L97.6Very high96.5Very high23 Ų2348.7 Ų48.712%0.1225%0.245CC..EExtended strand (participates in β ladder)trans-79.3146.4176.6-56.8-172000110.2W53 L56 L280 L281 D306 K341W53-L308 HydrophobicContact CH2-CD1 4.34Å; W53-L308 HydrophobicContact CZ3-CD1 4.34Å; L56-L308 HydrophobicContact CB-CD1 4.08Å; L280-L308 VanDerWaalsContact CA-O 3.26Å; L280-L308 WeakPolarHBondContact CA-O 3.29Å; L280-L308 HydrophobicContact CD1-CB 4.34Å; L280-L308 HydrophobicContact CG-CB 3.82Å; L281-L308 PolarHBondContact N-O 3.08Å; L281-L308 VanDerWaalsContact N-O 3.09Å; D306-L308 PolarHBondContact O-N 2.65Å; L308-K341 HydrophobicContact CD2-CG 3.95Å
309L98.7Very high96.3Very high0 Ų046.6 Ų46.60%023%0.233CC..EExtended strand (participates in β ladder)trans-119.3158.7-178.8-49.2175.1000110.9L281 F296 A297 V300 G339 Y340 K341 Y342L281-L309 HydrophobicContact CB-CD2 4.01Å; L281-L309 CarbonylContact O-C 3.53Å; L281-L309 VanDerWaalsContact O-CA 3.26Å; L281-L309 WeakPolarHBondContact O-CA 3.43Å; F296-L309 HydrophobicContact CE1-CD2 4.16Å; A297-L309 HydrophobicContact CB-CD1 3.43Å; A297-L309 VanDerWaalsContact CB-CD1 3.43Å; V300-L309 HydrophobicContact CG1-CD2 4.16Å; L309-G339 WeakPolarHBondContact CB-O 3.29Å; L309-G339 PolarHBondContact N-O 3.06Å; L309-Y340 HydrophobicContact CB-CD1 3.43Å; L309-Y340 VanDerWaalsContact CB-CD1 3.43Å; L309-Y340 HydrophobicContact CB-CE1 3.73Å; L309-Y340 HydrophobicContact CB-CG 4.02Å; L309-Y340 HydrophobicContact CD1-CD1 4.25Å; L309-Y340 HydrophobicContact CD1-CE1 3.95Å; L309-Y340 HydrophobicContact CD1-CE2 4.22Å; L309-Y340 HydrophobicContact CG-CD1 4.5Å; L309-Y340 HydrophobicContact CG-CE1 4.47Å; L309-Y340 CarbonylContact O-C 3.51Å; L309-Y340 WeakPolarHBondContact O-CA 3.44Å; L309-K341 PolarHBondContact O-N 3.34Å; L309-Y342 PolarHBondContact O-N 3.35Å
310A98.8Very high95.8Very high0 Ų050.3 Ų50.30%026%0.258CS..EExtended strand (participates in β ladder)trans-128148.5171.800000111.4I221 L280 L281 W282 Y342 F344I221-A310 HydrophobicContact CG2-CB 4.32Å; L280-A310 HydrophobicContact CD2-CB 4.08Å; L281-A310 PolarHBondContact O-N 2.79Å; W282-A310 HydrophobicContact CB-CB 4.25Å; A310-Y342 CarbonylContact C-O 3.48Å; A310-Y342 WeakPolarHBondContact CA-O 3.42Å; A310-Y342 WeakPolarHBondContact CB-O 3.37Å; A310-F344 HydrophobicContact CB-CE1 4.24Å
311Y98.8Very high95.4Very high3 Ų353.6 Ų53.61%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-133.2130.3-177-161.3-80.3000112T285 A293 F331 L335 Y340 Y342 Q343 F344T285-Y311 HydrophobicContact CG2-CE2 4.29Å; T285-Y311 PolarHBondContact OG1-OH 3.39Å; A293-Y311 HydrophobicContact CB-CD2 4.4Å; A293-Y311 HydrophobicContact CB-CE2 3.87Å; Y311-F331 HydrophobicContact CD1-CE1 4.34Å; Y311-F331 AromaticContact CE1-CE1 3.74Å; Y311-F331 HydrophobicContact CE1-CE1 3.74Å; Y311-F331 HydrophobicContact CE1-CZ 4.2Å; Y311-L335 HydrophobicContact CD1-CD1 3.55Å; Y311-L335 HydrophobicContact CD2-CD1 3.97Å; Y311-L335 HydrophobicContact CD2-CD2 3.68Å; Y311-L335 HydrophobicContact CD2-CG 4.49Å; Y311-L335 HydrophobicContact CE1-CD1 4.05Å; Y311-L335 HydrophobicContact CE2-CD1 4.38Å; Y311-L335 HydrophobicContact CE2-CD2 3.9Å; Y311-L335 HydrophobicContact CG-CD1 3.53Å; Y311-L335 HydrophobicContact CG-CD2 4.12Å; Y311-L335 HydrophobicContact CG-CG 4.47Å; Y311-Y340 HydrophobicContact CD2-CD1 4.04Å; Y311-Y340 AromaticContact CD2-CE1 3.9Å; Y311-Y340 HydrophobicContact CD2-CE1 3.9Å; Y311-Y340 HydrophobicContact CD2-CG 4.46Å; Y311-Y340 HydrophobicContact CG-CD1 4.42Å; Y311-Y342 PolarHBondContact N-O 3.04Å; Y311-Q343 WeakPolarHBondContact O-CA 3.46Å; Y311-F344 PolarHBondContact O-N 3.12Å; Y311-F344 VanDerWaalsContact O-N 3.15Å
312N98.4Very high95Very high4 Ų455 Ų552%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-86.9107.717317712.1000110.6H188 W282 E284 S314 F344 T346H188-N312 PolarHBondContact CE1-ND2 3.37Å; W282-N312 HydrophobicContact CZ2-CB 3.58Å; E284-N312 PolarHBondContact OE1-ND2 3.41Å; E284-N312 PolarHBondContact OE2-ND2 3.04Å; N312-S314 PolarHBondContact O-N 3.36Å; N312-S314 VanDerWaalsContact OD1-CA 3.31Å; N312-S314 WeakPolarHBondContact OD1-CA 3.42Å; N312-S314 PolarHBondContact OD1-N 3.29Å; N312-F344 HydrophobicContact CB-CE2 3.92Å; N312-F344 HydrophobicContact CB-CZ 4.07Å; N312-T346 WeakPolarHBondContact OD1-CG2 3.33Å; N312-T346 PolarHBondContact OD1-OG1 3.42Å
313C98Very high94.6Very high2 Ų247 Ų471%0.01427%0.265CS..  trans-80.469.6169.7-64.60000109.1W319 F344 V345C313-W319 HydrophobicContact CB-CH2 3.84Å; C313-W319 HydrophobicContact CB-CZ2 3.73Å; C313-F344 PolarHBondContact N-O 3.33Å; C313-V345 HydrophobicContact CB-CG2 3.99Å
314S96.6Very high94.2Very high0 Ų047.8 Ų47.80%027%0.267CS..  trans-65.3130.2-166.6-171.20000113.8H188 N312 S316 F317 W319H188-S314 PolarHBondContact CE1-OG 2.88Å; H188-S314 WeakPolarHBondContact NE2-CB 3.12Å; H188-S314 PolarHBondContact NE2-OG 3.09Å; N312-S314 PolarHBondContact O-N 3.36Å; N312-S314 VanDerWaalsContact OD1-CA 3.31Å; N312-S314 WeakPolarHBondContact OD1-CA 3.42Å; N312-S314 PolarHBondContact OD1-N 3.29Å; S314-S316 PolarHBondContact O-N 3.34Å; S314-S316 VanDerWaalsContact OG-CB 3.27Å; S314-S316 WeakPolarHBondContact OG-CB 3.45Å; S314-S316 PolarHBondContact OG-N 2.81Å; S314-S316 VanDerWaalsContact OG-N 3.13Å; S314-S316 PolarHBondContact OG-OG 2.63Å; S314-F317 WeakPolarHBondContact O-CB 3.35Å; S314-F317 VanDerWaalsContact O-CD2 3.31Å; S314-F317 WeakPolarHBondContact O-CD2 3.28Å; S314-F317 WeakPolarHBondContact O-CG 3.44Å; S314-F317 PolarHBondContact O-N 2.89Å; S314-F317 VanDerWaalsContact O-N 3.15Å; S314-W319 PolarHBondContact O-NE1 2.89Å
315P95.3Very high93.5Very high32 Ų3249.1 Ų49.121%0.20828%0.282CS..THydrogen-bonded Turntrans-65.1-13.1164.7-26.739.4000114.1F317 V345 T346 L347P315-F317 PolarHBondContact O-N 3.48Å; P315-V345 HydrophobicContact CG-CG1 3.44Å; P315-V345 VanDerWaalsContact CG-CG1 3.44Å; P315-T346 WeakPolarHBondContact CD-OG1 3.4Å; P315-L347 HydrophobicContact CB-CB 4.15Å; P315-L347 HydrophobicContact CG-CB 3.83Å; P315-L347 HydrophobicContact CG-CG 4.32Å
316S92.6Very high92.9Very high58 Ų5848.1 Ų48.141%0.40627%0.271SS..THydrogen-bonded Turntrans-68.1-12.6171.7-54.70000112.1S314S314-S316 PolarHBondContact O-N 3.34Å; S314-S316 VanDerWaalsContact OG-CB 3.27Å; S314-S316 WeakPolarHBondContact OG-CB 3.45Å; S314-S316 PolarHBondContact OG-N 2.81Å; S314-S316 VanDerWaalsContact OG-N 3.13Å; S314-S316 PolarHBondContact OG-OG 2.63Å
317F93.8Very high92.7Very high15 Ų1543 Ų437%0.06625%0.245CC..SBendtrans-83.1136.3169.8-52.4-34.5000110.9H188 T285 S286 P288 S314 P315 W319H188-F317 AromaticContact CD2-CE1 3.47Å; H188-F317 VanDerWaalsContact CD2-CE1 3.47Å; H188-F317 WeakPolarHBondContact CD2-CE1 3.46Å; H188-F317 AromaticContact NE2-CE1 3.4Å; H188-F317 WeakPolarHBondContact NE2-CE1 3.49Å; H188-F317 AromaticContact NE2-CZ 3.53Å; T285-F317 WeakPolarHBondContact O-CE1 3.49Å; T285-F317 WeakPolarHBondContact O-CZ 3.28Å; S286-F317 VanDerWaalsContact C-CE1 3.48Å; P288-F317 HydrophobicContact CB-CD2 3.77Å; P288-F317 HydrophobicContact CB-CE2 4.1Å; P288-F317 HydrophobicContact CB-CG 4.46Å; P288-F317 HydrophobicContact CG-CB 4.16Å; P288-F317 HydrophobicContact CG-CD2 3.93Å; P288-F317 HydrophobicContact CG-CG 4.13Å; S314-F317 WeakPolarHBondContact O-CB 3.35Å; S314-F317 VanDerWaalsContact O-CD2 3.31Å; S314-F317 WeakPolarHBondContact O-CD2 3.28Å; S314-F317 WeakPolarHBondContact O-CG 3.44Å; S314-F317 PolarHBondContact O-N 2.89Å; S314-F317 VanDerWaalsContact O-N 3.15Å; P315-F317 PolarHBondContact O-N 3.48Å; F317-W319 HydrophobicContact CD2-CZ2 4.21Å; F317-W319 PolarHBondContact O-N 2.71Å; F317-W319 VanDerWaalsContact O-N 3.16Å
318N92.7Very high92.5Very high99 Ų9945.2 Ų45.253%0.52926%0.257SS..  trans-80.691.3160.8-173.1-22.8000108.9A321 K322N318-A321 HydrophobicContact CB-CB 3.94Å; N318-A321 PolarHBondContact O-N 2.88Å; N318-A321 VanDerWaalsContact OD1-CB 3.31Å; N318-A321 WeakPolarHBondContact OD1-CB 3.46Å; N318-A321 PolarHBondContact OD1-N 2.9Å; N318-K322 VanDerWaalsContact O-CG 3.32Å; N318-K322 WeakPolarHBondContact O-CG 3.48Å; N318-K322 PolarHBondContact O-N 3.18Å
319W93.6Very high92.2Very high57 Ų5752 Ų5222%0.21628%0.281CS..Hα-helixtrans-57.3-53.2-171.5-74.180.1000113.2P288 C313 S314 F317 A321 K322 L323 I328 F331P288-W319 HydrophobicContact CB-CE3 4.41Å; P288-W319 HydrophobicContact CB-CH2 4.33Å; P288-W319 HydrophobicContact CB-CZ3 4.15Å; C313-W319 HydrophobicContact CB-CH2 3.84Å; C313-W319 HydrophobicContact CB-CZ2 3.73Å; S314-W319 PolarHBondContact O-NE1 2.89Å; F317-W319 HydrophobicContact CD2-CZ2 4.21Å; F317-W319 PolarHBondContact O-N 2.71Å; F317-W319 VanDerWaalsContact O-N 3.16Å; W319-A321 VanDerWaalsContact C-N 3.28Å; W319-A321 PolarHBondContact O-N 3.42Å; W319-K322 PolarHBondContact O-N 3.07Å; W319-L323 HydrophobicContact CE3-CD1 4.19Å; W319-L323 HydrophobicContact CZ3-CD1 4.33Å; W319-L323 PolarHBondContact O-N 3.49Å; W319-I328 HydrophobicContact CB-CD1 4.04Å; W319-I328 HydrophobicContact CE3-CG1 4.24Å; W319-I328 HydrophobicContact CE3-CG2 4.36Å; W319-F331 AromaticContact CH2-CD1 3.87Å; W319-F331 HydrophobicContact CH2-CD1 3.87Å; W319-F331 AromaticContact CH2-CE1 3.99Å; W319-F331 HydrophobicContact CH2-CE1 3.99Å; W319-F331 HydrophobicContact CH2-CG 4.48Å; W319-F331 HydrophobicContact CZ3-CB 4.4Å; W319-F331 AromaticContact CZ3-CD1 3.81Å; W319-F331 HydrophobicContact CZ3-CD1 3.81Å; W319-F331 HydrophobicContact CZ3-CD2 4.41Å; W319-F331 HydrophobicContact CZ3-CE1 4.13Å; W319-F331 AromaticContact CZ3-CG 3.96Å; W319-F331 HydrophobicContact CZ3-CG 3.96Å
320S89.4Confident92Very high97 Ų9753.9 Ų53.968%0.67829%0.293SS*.Hα-helixtrans-70.4-22.5-178.2560000113.6K322S320-K322 VanDerWaalsContact C-N 3.32Å
321A89.4Confident92Very high68 Ų6854 Ų5456%0.56229%0.293SS*.Hα-helixtrans-78.9-15.5171.500000113.3N318 W319N318-A321 HydrophobicContact CB-CB 3.94Å; N318-A321 PolarHBondContact O-N 2.88Å; N318-A321 VanDerWaalsContact OD1-CB 3.31Å; N318-A321 WeakPolarHBondContact OD1-CB 3.46Å; N318-A321 PolarHBondContact OD1-N 2.9Å; W319-A321 VanDerWaalsContact C-N 3.28Å; W319-A321 PolarHBondContact O-N 3.42Å
322K86.7Confident91.9Very high121 Ų12156.2 Ų56.253%0.52630%0.304SS..Hα-helixtrans-107.7-32.6-177.8-66.1-57.8-180-161.90113.4P288 N318 W319 S320P288-K322 HydrophobicContact CG-CB 4.07Å; N318-K322 VanDerWaalsContact O-CG 3.32Å; N318-K322 WeakPolarHBondContact O-CG 3.48Å; N318-K322 PolarHBondContact O-N 3.18Å; W319-K322 PolarHBondContact O-N 3.07Å; S320-K322 VanDerWaalsContact C-N 3.32Å
323L89.2Confident91.9Very high31 Ų3157.4 Ų57.416%0.16231%0.312CS..SBendtrans-135.2145.1-171.9-59.3177.1000109.6P288 W319 T327 I328 F331P288-L323 HydrophobicContact CB-CD1 3.85Å; P288-L323 HydrophobicContact CG-CD1 3.83Å; P288-L323 HydrophobicContact CG-CG 4.17Å; W319-L323 HydrophobicContact CE3-CD1 4.19Å; W319-L323 HydrophobicContact CZ3-CD1 4.33Å; W319-L323 PolarHBondContact O-N 3.49Å; L323-T327 HydrophobicContact CB-CG2 4.37Å; L323-T327 HydrophobicContact CD1-CG2 4.24Å; L323-T327 HydrophobicContact CD2-CG2 3.91Å; L323-T327 HydrophobicContact CG-CG2 4.41Å; L323-I328 HydrophobicContact CB-CD1 4.31Å; L323-I328 HydrophobicContact CB-CG1 3.72Å; L323-I328 HydrophobicContact CD1-CG1 4.38Å; L323-F331 HydrophobicContact CD1-CD2 3.69Å; L323-F331 HydrophobicContact CD1-CE2 3.71Å
324D88.5Confident91.9Very high90 Ų9060.2 Ų60.248%0.48133%0.325SS..  trans-70.5162168.666.381.4000111.4Q326 T327 I328D324-Q326 VanDerWaalsContact C-N 3.26Å; D324-Q326 PolarHBondContact O-N 3.4Å; D324-Q326 WeakPolarHBondContact OD1-CA 3.48Å; D324-Q326 VanDerWaalsContact OD1-CB 3.28Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.25Å; D324-Q326 PolarHBondContact OD1-N 2.97Å; D324-T327 VanDerWaalsContact CG-OG1 3.31Å; D324-T327 PolarHBondContact O-N 3.4Å; D324-T327 VanDerWaalsContact O-N 3.17Å; D324-T327 PolarHBondContact OD1-N 3.48Å; D324-T327 PolarHBondContact OD1-OG1 3.26Å; D324-T327 WeakPolarHBondContact OD2-CB 3.39Å; D324-T327 PolarHBondContact OD2-OG1 3.25Å; D324-I328 WeakPolarHBondContact O-CG1 3.39Å; D324-I328 PolarHBondContact O-N 2.96Å
325T81.4Confident92Very high98 Ų9860.2 Ų60.260%0.60133%0.325SS*.Hα-helixtrans-56-36.4-177.6-52.70000113.3R329T325-R329 WeakPolarHBondContact O-CB 3.45Å; T325-R329 PolarHBondContact O-N 3Å
326Q82.2Confident92.1Very high54 Ų5458.9 Ų58.925%0.25232%0.317SS..Hα-helixtrans-68.9-47.8179.4-179.365.43600110.5D324 I328 R329 T330D324-Q326 VanDerWaalsContact C-N 3.26Å; D324-Q326 PolarHBondContact O-N 3.4Å; D324-Q326 WeakPolarHBondContact OD1-CA 3.48Å; D324-Q326 VanDerWaalsContact OD1-CB 3.28Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.25Å; D324-Q326 PolarHBondContact OD1-N 2.97Å; Q326-I328 VanDerWaalsContact C-N 3.26Å; Q326-I328 PolarHBondContact O-N 2.97Å; Q326-R329 WeakPolarHBondContact O-CB 3.17Å; Q326-R329 PolarHBondContact O-N 3.08Å; Q326-R329 VanDerWaalsContact O-N 3.12Å; Q326-T330 PolarHBondContact O-N 3.48Å; Q326-T330 PolarHBondContact O-OG1 2.89Å
327T88.2Confident92.3Very high39 Ų3962.4 Ų62.424%0.23933%0.325CS..Hα-helixtrans-61.2-38.6179.9-58.30000110.6L290 L323 D324 F331L290-T327 HydrophobicContact CD1-CG2 4.34Å; L323-T327 HydrophobicContact CB-CG2 4.37Å; L323-T327 HydrophobicContact CD1-CG2 4.24Å; L323-T327 HydrophobicContact CD2-CG2 3.91Å; L323-T327 HydrophobicContact CG-CG2 4.41Å; D324-T327 VanDerWaalsContact CG-OG1 3.31Å; D324-T327 PolarHBondContact O-N 3.4Å; D324-T327 VanDerWaalsContact O-N 3.17Å; D324-T327 PolarHBondContact OD1-N 3.48Å; D324-T327 PolarHBondContact OD1-OG1 3.26Å; D324-T327 WeakPolarHBondContact OD2-CB 3.39Å; D324-T327 PolarHBondContact OD2-OG1 3.25Å; T327-F331 WeakPolarHBondContact O-CA 3.49Å; T327-F331 VanDerWaalsContact O-CB 3.29Å; T327-F331 WeakPolarHBondContact O-CB 3.49Å; T327-F331 PolarHBondContact O-N 3.49Å
328I92.4Very high92.5Very high59 Ų5963.4 Ų63.430%0.30333%0.331SS..Hα-helixtrans-61-47.9173-64.8171000111W319 L323 D324 Q326 T330 F331W319-I328 HydrophobicContact CB-CD1 4.04Å; W319-I328 HydrophobicContact CE3-CG1 4.24Å; W319-I328 HydrophobicContact CE3-CG2 4.36Å; L323-I328 HydrophobicContact CB-CD1 4.31Å; L323-I328 HydrophobicContact CB-CG1 3.72Å; L323-I328 HydrophobicContact CD1-CG1 4.38Å; D324-I328 WeakPolarHBondContact O-CG1 3.39Å; D324-I328 PolarHBondContact O-N 2.96Å; Q326-I328 VanDerWaalsContact C-N 3.26Å; Q326-I328 PolarHBondContact O-N 2.97Å; I328-T330 VanDerWaalsContact C-N 3.33Å; I328-T330 PolarHBondContact O-N 3.18Å; I328-F331 WeakPolarHBondContact O-CB 3.33Å; I328-F331 PolarHBondContact O-N 3.44Å
329R90.8Very high92.7Very high164 Ų16458.9 Ų58.962%0.61931%0.307SS*.Hα-helixtrans-59.1-40.2-178.7177.4177.3-73.8-176-7112.8T325 Q326T325-R329 WeakPolarHBondContact O-CB 3.45Å; T325-R329 PolarHBondContact O-N 3Å; Q326-R329 WeakPolarHBondContact O-CB 3.17Å; Q326-R329 PolarHBondContact O-N 3.08Å; Q326-R329 VanDerWaalsContact O-N 3.12Å
330T95.8Very high92.9Very high41 Ų4156.4 Ų56.425%0.25230%0.298SS..Hα-helixtrans-96.9-0.2-177.957.20000113.7Q326 I328 Q332 S333 E334Q326-T330 PolarHBondContact O-N 3.48Å; Q326-T330 PolarHBondContact O-OG1 2.89Å; I328-T330 VanDerWaalsContact C-N 3.33Å; I328-T330 PolarHBondContact O-N 3.18Å; T330-Q332 VanDerWaalsContact C-N 3.35Å; T330-Q332 PolarHBondContact O-N 2.91Å; T330-S333 PolarHBondContact O-N 3.04Å; T330-S333 PolarHBondContact O-OG 2.79Å; T330-E334 WeakPolarHBondContact O-CG 3.44Å; T330-E334 PolarHBondContact O-N 3.27Å
331F97.5Very high93.4Very high2 Ų253.8 Ų53.81%0.00927%0.274CS..Hα-helixtrans-54.5-49.3-171.3-163.8-99000112.3P288 L290 Y311 W319 L323 T327 I328 E334 L335P288-F331 HydrophobicContact CB-CE1 4.32Å; P288-F331 HydrophobicContact CB-CE2 3.94Å; P288-F331 HydrophobicContact CB-CZ 3.64Å; L290-F331 HydrophobicContact CD1-CD2 4.16Å; L290-F331 HydrophobicContact CD1-CE2 4.44Å; L290-F331 HydrophobicContact CD2-CD2 3.93Å; L290-F331 HydrophobicContact CD2-CE2 3.83Å; L290-F331 HydrophobicContact CD2-CG 4.38Å; L290-F331 HydrophobicContact CD2-CZ 4.19Å; L290-F331 HydrophobicContact CG-CD2 3.82Å; L290-F331 HydrophobicContact CG-CE2 3.65Å; L290-F331 HydrophobicContact CG-CZ 4.41Å; Y311-F331 HydrophobicContact CD1-CE1 4.34Å; Y311-F331 AromaticContact CE1-CE1 3.74Å; Y311-F331 HydrophobicContact CE1-CE1 3.74Å; Y311-F331 HydrophobicContact CE1-CZ 4.2Å; W319-F331 AromaticContact CH2-CD1 3.87Å; W319-F331 HydrophobicContact CH2-CD1 3.87Å; W319-F331 AromaticContact CH2-CE1 3.99Å; W319-F331 HydrophobicContact CH2-CE1 3.99Å; W319-F331 HydrophobicContact CH2-CG 4.48Å; W319-F331 HydrophobicContact CZ3-CB 4.4Å; W319-F331 AromaticContact CZ3-CD1 3.81Å; W319-F331 HydrophobicContact CZ3-CD1 3.81Å; W319-F331 HydrophobicContact CZ3-CD2 4.41Å; W319-F331 HydrophobicContact CZ3-CE1 4.13Å; W319-F331 AromaticContact CZ3-CG 3.96Å; W319-F331 HydrophobicContact CZ3-CG 3.96Å; L323-F331 HydrophobicContact CD1-CD2 3.69Å; L323-F331 HydrophobicContact CD1-CE2 3.71Å; T327-F331 WeakPolarHBondContact O-CA 3.49Å; T327-F331 VanDerWaalsContact O-CB 3.29Å; T327-F331 WeakPolarHBondContact O-CB 3.49Å; T327-F331 PolarHBondContact O-N 3.49Å; I328-F331 WeakPolarHBondContact O-CB 3.33Å; I328-F331 PolarHBondContact O-N 3.44Å; F331-E334 PolarHBondContact O-N 3.24Å; F331-L335 HydrophobicContact CD1-CD1 3.67Å; F331-L335 HydrophobicContact CD1-CG 4.36Å; F331-L335 HydrophobicContact CE1-CD1 3.49Å; F331-L335 VanDerWaalsContact CE1-CD1 3.49Å; F331-L335 HydrophobicContact CE1-CG 4.25Å; F331-L335 HydrophobicContact CZ-CD1 4.4Å; F331-L335 WeakPolarHBondContact O-CG 3.48Å; F331-L335 PolarHBondContact O-N 3.36Å; F331-L335 VanDerWaalsContact O-N 3.09Å
332Q98.1Very high93.8Very high50 Ų5050.6 Ų50.623%0.23425%0.248CC..Hα-helixtrans-69.8-38.2-177.2-68.1-164-40.700113.4Y61 T330 L335 G336 Q343Y61-Q332 HydrophobicContact CD2-CB 4.46Å; Y61-Q332 HydrophobicContact CE2-CB 3.78Å; T330-Q332 VanDerWaalsContact C-N 3.35Å; T330-Q332 PolarHBondContact O-N 2.91Å; Q332-L335 PolarHBondContact O-N 3.07Å; Q332-G336 PolarHBondContact O-N 3.27Å; Q332-Q343 PolarHBondContact O-NE2 2.97Å; Q332-Q343 PolarHBondContact O-OE1 3.48Å
333S97.4Very high94.4Very high29 Ų2944.9 Ų44.920%0.20322%0.223CC..Hα-helixtrans-65.5-40.2175.352.90000111.8T330 L335 G336 K337T330-S333 PolarHBondContact O-N 3.04Å; T330-S333 PolarHBondContact O-OG 2.79Å; S333-L335 PolarHBondContact O-N 3.46Å; S333-G336 PolarHBondContact O-N 2.96Å; S333-K337 WeakPolarHBondContact O-CG 3.33Å; S333-K337 PolarHBondContact O-N 3.2Å; S333-K337 VanDerWaalsContact O-N 3.13Å
334E97.9Very high94.9Very high61 Ų6143.4 Ų43.429%0.28522%0.215SC..Hα-helixtrans-64.1-42.2176.1-68-51123.900111.6L290 T330 F331 G336 K337 M338L290-E334 HydrophobicContact CD1-CB 3.98Å; L290-E334 HydrophobicContact CD1-CG 4.25Å; L290-E334 HydrophobicContact CD2-CB 3.99Å; T330-E334 WeakPolarHBondContact O-CG 3.44Å; T330-E334 PolarHBondContact O-N 3.27Å; F331-E334 PolarHBondContact O-N 3.24Å; E334-G336 VanDerWaalsContact C-N 3.32Å; E334-G336 PolarHBondContact O-N 2.96Å; E334-K337 PolarHBondContact O-N 2.81Å; E334-K337 IonicContact OE1-NZ 3.7Å; E334-K337 PolarHBondContact OE1-NZ 3.42Å; E334-K337 IonicContact OE2-NZ 3.73Å; E334-M338 HydrophobicContact CB-CE 4.39Å; E334-M338 WeakPolarHBondContact O-CG 3.14Å; E334-M338 PolarHBondContact O-N 2.92Å
335L98.4Very high95.3Very high0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-59.7-41.7171.7-72.9176.2000112.1L290 A293 Y311 F331 Q332 S333 K337 M338 G339 Y340L290-L335 HydrophobicContact CD2-CD2 3.84Å; L290-L335 HydrophobicContact CD2-CG 3.82Å; A293-L335 HydrophobicContact CB-CD2 3.61Å; Y311-L335 HydrophobicContact CD1-CD1 3.55Å; Y311-L335 HydrophobicContact CD2-CD1 3.97Å; Y311-L335 HydrophobicContact CD2-CD2 3.68Å; Y311-L335 HydrophobicContact CD2-CG 4.49Å; Y311-L335 HydrophobicContact CE1-CD1 4.05Å; Y311-L335 HydrophobicContact CE2-CD1 4.38Å; Y311-L335 HydrophobicContact CE2-CD2 3.9Å; Y311-L335 HydrophobicContact CG-CD1 3.53Å; Y311-L335 HydrophobicContact CG-CD2 4.12Å; Y311-L335 HydrophobicContact CG-CG 4.47Å; F331-L335 HydrophobicContact CD1-CD1 3.67Å; F331-L335 HydrophobicContact CD1-CG 4.36Å; F331-L335 HydrophobicContact CE1-CD1 3.49Å; F331-L335 VanDerWaalsContact CE1-CD1 3.49Å; F331-L335 HydrophobicContact CE1-CG 4.25Å; F331-L335 HydrophobicContact CZ-CD1 4.4Å; F331-L335 WeakPolarHBondContact O-CG 3.48Å; F331-L335 PolarHBondContact O-N 3.36Å; F331-L335 VanDerWaalsContact O-N 3.09Å; Q332-L335 PolarHBondContact O-N 3.07Å; S333-L335 PolarHBondContact O-N 3.46Å; L335-K337 VanDerWaalsContact C-N 3.31Å; L335-K337 PolarHBondContact O-N 3.49Å; L335-M338 HydrophobicContact CD2-SD 4.44Å; L335-M338 WeakPolarHBondContact O-CB 3.19Å; L335-M338 PolarHBondContact O-N 3.46Å; L335-G339 PolarHBondContact O-N 2.81Å; L335-Y340 HydrophobicContact CB-CD2 4.06Å; L335-Y340 HydrophobicContact CB-CG 4.31Å; L335-Y340 HydrophobicContact CD2-CD2 3.61Å; L335-Y340 HydrophobicContact CD2-CE2 3.87Å; L335-Y340 HydrophobicContact CD2-CG 4.19Å; L335-Y340 HydrophobicContact CG-CD2 4.44Å; L335-Y340 WeakPolarHBondContact O-CB 3.31Å; L335-Y340 WeakPolarHBondContact O-CD2 3.32Å; L335-Y340 PolarHBondContact O-N 3.45Å; L335-Y340 VanDerWaalsContact O-N 3.1Å
336G98Very high96.1Very high4 Ų436.6 Ų36.64%0.04118%0.177CC..Hα-helixtrans-56.5-44177.900000112.3Q332 S333 E334 M338 G339Q332-G336 PolarHBondContact O-N 3.27Å; S333-G336 PolarHBondContact O-N 2.96Å; E334-G336 VanDerWaalsContact C-N 3.32Å; E334-G336 PolarHBondContact O-N 2.96Å; G336-M338 VanDerWaalsContact C-N 3.28Å; G336-M338 PolarHBondContact O-N 3.33Å; G336-G339 PolarHBondContact O-N 3.38Å; G336-G339 VanDerWaalsContact O-N 3.07Å
337K97.1Very high96.8Very high132 Ų13234.4 Ų34.457%0.57417%0.166SC*.Hα-helixtrans-61.6-32.1176.2-65168.6-170.6171.80113.2S333 E334 L335 G339S333-K337 WeakPolarHBondContact O-CG 3.33Å; S333-K337 PolarHBondContact O-N 3.2Å; S333-K337 VanDerWaalsContact O-N 3.13Å; E334-K337 PolarHBondContact O-N 2.81Å; E334-K337 IonicContact OE1-NZ 3.7Å; E334-K337 PolarHBondContact OE1-NZ 3.42Å; E334-K337 IonicContact OE2-NZ 3.73Å; L335-K337 VanDerWaalsContact C-N 3.31Å; L335-K337 PolarHBondContact O-N 3.49Å; K337-G339 VanDerWaalsContact C-N 3.28Å; K337-G339 PolarHBondContact O-N 2.85Å
338M97.4Very high97.3Very high36 Ų3633.5 Ų33.518%0.17716%0.163CC..Hα-helixtrans-77.3-13.6177.8-58.9168.9-165.600112.9L290 A293 M294 A297 R301 E334 L335 G336 Y340L290-M338 HydrophobicContact CB-CE 4.38Å; L290-M338 HydrophobicContact CD2-CE 4.21Å; A293-M338 HydrophobicContact CB-SD 4.35Å; M294-M338 HydrophobicContact CB-CE 4.11Å; M294-M338 HydrophobicContact CB-SD 3.88Å; A297-M338 HydrophobicContact CB-CB 4.19Å; R301-M338 PolarHBondContact NH1-O 3.45Å; R301-M338 VanDerWaalsContact NH1-O 3.13Å; E334-M338 HydrophobicContact CB-CE 4.39Å; E334-M338 WeakPolarHBondContact O-CG 3.14Å; E334-M338 PolarHBondContact O-N 2.92Å; L335-M338 HydrophobicContact CD2-SD 4.44Å; L335-M338 WeakPolarHBondContact O-CB 3.19Å; L335-M338 PolarHBondContact O-N 3.46Å; G336-M338 VanDerWaalsContact C-N 3.28Å; G336-M338 PolarHBondContact O-N 3.33Å; M338-Y340 HydrophobicContact CB-CD2 3.87Å; M338-Y340 HydrophobicContact CB-CE2 3.96Å; M338-Y340 HydrophobicContact SD-CE2 4.27Å
339G97.5Very high97.6Very high3 Ų330.7 Ų30.73%0.03115%0.149CC..THydrogen-bonded Turntrans105.99.1-178.500000114.8L309 L335 G336 K337 K341L309-G339 WeakPolarHBondContact CB-O 3.29Å; L309-G339 PolarHBondContact N-O 3.06Å; L335-G339 PolarHBondContact O-N 2.81Å; G336-G339 PolarHBondContact O-N 3.38Å; G336-G339 VanDerWaalsContact O-N 3.07Å; K337-G339 VanDerWaalsContact C-N 3.28Å; K337-G339 PolarHBondContact O-N 2.85Å; G339-K341 VanDerWaalsContact C-N 3.29Å; G339-K341 PolarHBondContact O-N 2.94Å
340Y98.6Very high97.9Very high5 Ų525.2 Ų25.22%0.0213%0.129CC..EExtended strand (participates in β ladder)trans-75.183.2169.8-63.5-82000110A293 F296 A297 L309 Y311 L335 M338 Q343A293-Y340 VanDerWaalsContact C-OH 3.31Å; A293-Y340 VanDerWaalsContact CA-OH 3.3Å; A293-Y340 WeakPolarHBondContact CA-OH 3.48Å; A293-Y340 HydrophobicContact CB-CE2 3.81Å; A293-Y340 WeakPolarHBondContact O-CE2 3.26Å; A293-Y340 PolarHBondContact O-OH 3.46Å; F296-Y340 WeakPolarHBondContact CD1-OH 3.33Å; A297-Y340 HydrophobicContact CB-CE2 4.03Å; L309-Y340 HydrophobicContact CB-CD1 3.43Å; L309-Y340 VanDerWaalsContact CB-CD1 3.43Å; L309-Y340 HydrophobicContact CB-CE1 3.73Å; L309-Y340 HydrophobicContact CB-CG 4.02Å; L309-Y340 HydrophobicContact CD1-CD1 4.25Å; L309-Y340 HydrophobicContact CD1-CE1 3.95Å; L309-Y340 HydrophobicContact CD1-CE2 4.22Å; L309-Y340 HydrophobicContact CG-CD1 4.5Å; L309-Y340 HydrophobicContact CG-CE1 4.47Å; L309-Y340 CarbonylContact O-C 3.51Å; L309-Y340 WeakPolarHBondContact O-CA 3.44Å; Y311-Y340 HydrophobicContact CD2-CD1 4.04Å; Y311-Y340 AromaticContact CD2-CE1 3.9Å; Y311-Y340 HydrophobicContact CD2-CE1 3.9Å; Y311-Y340 HydrophobicContact CD2-CG 4.46Å; Y311-Y340 HydrophobicContact CG-CD1 4.42Å; L335-Y340 HydrophobicContact CB-CD2 4.06Å; L335-Y340 HydrophobicContact CB-CG 4.31Å; L335-Y340 HydrophobicContact CD2-CD2 3.61Å; L335-Y340 HydrophobicContact CD2-CE2 3.87Å; L335-Y340 HydrophobicContact CD2-CG 4.19Å; L335-Y340 HydrophobicContact CG-CD2 4.44Å; L335-Y340 WeakPolarHBondContact O-CB 3.31Å; L335-Y340 WeakPolarHBondContact O-CD2 3.32Å; L335-Y340 PolarHBondContact O-N 3.45Å; L335-Y340 VanDerWaalsContact O-N 3.1Å; M338-Y340 HydrophobicContact CB-CD2 3.87Å; M338-Y340 HydrophobicContact CB-CE2 3.96Å; M338-Y340 HydrophobicContact SD-CE2 4.27Å; Y340-Q343 WeakPolarHBondContact O-CG 3.43Å; Y340-Q343 PolarHBondContact O-NE2 2.96Å
341K98.5Very high98.1Very high43 Ų4327.6 Ų27.619%0.18714%0.137CC..EExtended strand (participates in β ladder)trans-79-22.6-173.5-69.9-54.8-166.6171.80114.2L56 E59 E60 V62 L308 L309 G339L56-K341 HydrophobicContact CD2-CB 3.95Å; L56-K341 WeakPolarHBondContact O-CG 3.35Å; E59-K341 PolarHBondContact O-NZ 3.16Å; E60-K341 VanDerWaalsContact O-CD 3.22Å; E60-K341 WeakPolarHBondContact O-CD 3.08Å; E60-K341 PolarHBondContact O-NZ 2.99Å; V62-K341 PolarHBondContact N-O 2.96Å; L308-K341 HydrophobicContact CD2-CG 3.95Å; L309-K341 PolarHBondContact O-N 3.34Å; G339-K341 VanDerWaalsContact C-N 3.29Å; G339-K341 PolarHBondContact O-N 2.94Å
342Y98.9Very high98Very high1 Ų131.4 Ų31.40%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-117121.1172.5-165.5-108.4000109.9L52 L56 V62 A64 S83 I84 Y85 V146 I221 L309 A310 Y311 F344L52-Y342 HydrophobicContact CD1-CD2 4.4Å; L52-Y342 HydrophobicContact CD1-CE2 4.36Å; L56-Y342 HydrophobicContact CD2-CD2 4.16Å; L56-Y342 HydrophobicContact CD2-CG 4.45Å; V62-Y342 HydrophobicContact CB-CD2 4.13Å; V62-Y342 HydrophobicContact CG1-CD2 4.27Å; V62-Y342 HydrophobicContact CG1-CE2 4.25Å; A64-Y342 HydrophobicContact CB-CE2 4.28Å; A64-Y342 VanDerWaalsContact CB-OH 3.29Å; A64-Y342 WeakPolarHBondContact CB-OH 3.47Å; S83-Y342 WeakPolarHBondContact OG-CE2 3.43Å; S83-Y342 PolarHBondContact OG-OH 3.19Å; I84-Y342 PolarHBondContact O-OH 2.91Å; Y85-Y342 HydrophobicContact CD2-CE1 4.46Å; V146-Y342 HydrophobicContact CB-CE1 3.75Å; V146-Y342 HydrophobicContact CB-CE2 4.44Å; V146-Y342 WeakPolarHBondContact CB-OH 3.25Å; V146-Y342 HydrophobicContact CG1-CD1 4.43Å; V146-Y342 HydrophobicContact CG1-CE1 3.82Å; V146-Y342 HydrophobicContact CG2-CD1 4.5Å; V146-Y342 HydrophobicContact CG2-CD2 4.42Å; V146-Y342 HydrophobicContact CG2-CE1 3.83Å; V146-Y342 HydrophobicContact CG2-CE2 3.73Å; V146-Y342 WeakPolarHBondContact CG2-OH 3.25Å; I221-Y342 HydrophobicContact CD1-CD1 4.36Å; L309-Y342 PolarHBondContact O-N 3.35Å; A310-Y342 CarbonylContact C-O 3.48Å; A310-Y342 WeakPolarHBondContact CA-O 3.42Å; A310-Y342 WeakPolarHBondContact CB-O 3.37Å; Y311-Y342 PolarHBondContact N-O 3.04Å; Y342-F344 AromaticContact CD1-CD1 3.41Å; Y342-F344 HydrophobicContact CD1-CD1 3.41Å; Y342-F344 VanDerWaalsContact CD1-CD1 3.41Å; Y342-F344 AromaticContact CD1-CE1 3.82Å; Y342-F344 HydrophobicContact CD1-CE1 3.82Å; Y342-F344 HydrophobicContact CD1-CG 4.42Å; Y342-F344 HydrophobicContact CE1-CB 4.19Å; Y342-F344 AromaticContact CE1-CD1 3.43Å; Y342-F344 HydrophobicContact CE1-CD1 3.43Å; Y342-F344 VanDerWaalsContact CE1-CD1 3.43Å; Y342-F344 HydrophobicContact CE1-CE1 4.1Å; Y342-F344 HydrophobicContact CE1-CG 4.03Å
343Q98.8Very high98Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-131.6133.2-176.7-58-177.327.600109.6Y61 V62 P63 A64 Y311 Q332 Y340Y61-Q343 HydrophobicContact CD2-CB 4.49Å; Y61-Q343 HydrophobicContact CD2-CG 4.39Å; V62-Q343 PolarHBondContact O-N 3.47Å; P63-Q343 CarbonylContact C-O 3.4Å; P63-Q343 VanDerWaalsContact CA-O 3.25Å; P63-Q343 WeakPolarHBondContact CA-O 3.2Å; A64-Q343 PolarHBondContact N-O 3.39Å; Y311-Q343 WeakPolarHBondContact O-CA 3.46Å; Q332-Q343 PolarHBondContact O-NE2 2.97Å; Q332-Q343 PolarHBondContact O-OE1 3.48Å; Y340-Q343 WeakPolarHBondContact O-CG 3.43Å; Y340-Q343 PolarHBondContact O-NE2 2.96Å
344F98.7Very high98Very high1 Ų134.1 Ų34.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-145.5144.4-170.551.9-82.3000113.1A64 Y85 W282 A310 Y311 N312 C313 Y342 T346A64-F344 HydrophobicContact CB-CB 4.24Å; A64-F344 VanDerWaalsContact O-CA 3.22Å; A64-F344 WeakPolarHBondContact O-CA 3.22Å; Y85-F344 AromaticContact CD1-CD2 3.9Å; Y85-F344 HydrophobicContact CD1-CD2 3.9Å; Y85-F344 HydrophobicContact CD2-CB 4.39Å; Y85-F344 AromaticContact CD2-CD2 3.82Å; Y85-F344 HydrophobicContact CD2-CD2 3.82Å; Y85-F344 HydrophobicContact CD2-CE2 4.29Å; Y85-F344 HydrophobicContact CD2-CG 4.05Å; Y85-F344 AromaticContact CE1-CD2 3.87Å; Y85-F344 HydrophobicContact CE1-CD2 3.87Å; Y85-F344 HydrophobicContact CE1-CE2 4.2Å; Y85-F344 AromaticContact CE2-CD2 3.81Å; Y85-F344 HydrophobicContact CE2-CD2 3.81Å; Y85-F344 AromaticContact CE2-CE2 3.83Å; Y85-F344 HydrophobicContact CE2-CE2 3.83Å; Y85-F344 HydrophobicContact CE2-CG 4.41Å; Y85-F344 HydrophobicContact CE2-CZ 4.43Å; Y85-F344 HydrophobicContact CG-CB 4.07Å; Y85-F344 AromaticContact CG-CD2 3.87Å; Y85-F344 HydrophobicContact CG-CD2 3.87Å; Y85-F344 HydrophobicContact CG-CG 4.13Å; Y85-F344 AromaticContact CZ-CD2 3.84Å; Y85-F344 AromaticContact CZ-CE2 3.78Å; W282-F344 AromaticContact CD2-CZ 3.99Å; W282-F344 HydrophobicContact CD2-CZ 3.99Å; W282-F344 AromaticContact CE2-CZ 3.95Å; W282-F344 AromaticContact CE3-CZ 3.83Å; W282-F344 HydrophobicContact CE3-CZ 3.83Å; W282-F344 AromaticContact CH2-CE2 3.78Å; W282-F344 HydrophobicContact CH2-CE2 3.78Å; W282-F344 AromaticContact CH2-CZ 3.67Å; W282-F344 HydrophobicContact CH2-CZ 3.67Å; W282-F344 HydrophobicContact CZ2-CE2 4.07Å; W282-F344 AromaticContact CZ2-CZ 3.84Å; W282-F344 HydrophobicContact CZ2-CZ 3.84Å; W282-F344 HydrophobicContact CZ3-CE2 4.1Å; W282-F344 AromaticContact CZ3-CZ 3.64Å; W282-F344 HydrophobicContact CZ3-CZ 3.64Å; A310-F344 HydrophobicContact CB-CE1 4.24Å; Y311-F344 PolarHBondContact O-N 3.12Å; Y311-F344 VanDerWaalsContact O-N 3.15Å; N312-F344 HydrophobicContact CB-CE2 3.92Å; N312-F344 HydrophobicContact CB-CZ 4.07Å; C313-F344 PolarHBondContact N-O 3.33Å; Y342-F344 AromaticContact CD1-CD1 3.41Å; Y342-F344 HydrophobicContact CD1-CD1 3.41Å; Y342-F344 VanDerWaalsContact CD1-CD1 3.41Å; Y342-F344 AromaticContact CD1-CE1 3.82Å; Y342-F344 HydrophobicContact CD1-CE1 3.82Å; Y342-F344 HydrophobicContact CD1-CG 4.42Å; Y342-F344 HydrophobicContact CE1-CB 4.19Å; Y342-F344 AromaticContact CE1-CD1 3.43Å; Y342-F344 HydrophobicContact CE1-CD1 3.43Å; Y342-F344 VanDerWaalsContact CE1-CD1 3.43Å; Y342-F344 HydrophobicContact CE1-CE1 4.1Å; Y342-F344 HydrophobicContact CE1-CG 4.03Å; F344-T346 HydrophobicContact CD2-CG2 3.63Å; F344-T346 HydrophobicContact CE2-CG2 3.58Å
345V98.6Very high97.9Very high35 Ų3537.9 Ų37.921%0.21219%0.189CC..EExtended strand (participates in β ladder)trans-98101.9170.6-176.40000108A64 L65 G66 C313 P315 L347 A348A64-V345 PolarHBondContact O-N 2.94Å; L65-V345 HydrophobicContact CD2-CB 3.73Å; L65-V345 HydrophobicContact CD2-CG2 3.88Å; G66-V345 PolarHBondContact N-O 2.81Å; C313-V345 HydrophobicContact CB-CG2 3.99Å; P315-V345 HydrophobicContact CG-CG1 3.44Å; P315-V345 VanDerWaalsContact CG-CG1 3.44Å; V345-L347 PolarHBondContact O-N 2.97Å; V345-A348 HydrophobicContact CB-CB 4.21Å; V345-A348 HydrophobicContact CG1-CB 3.92Å
346T97.1Very high97.7Very high10 Ų1040.9 Ų40.96%0.06121%0.21CC..THydrogen-bonded Turntrans-56.8-46.4-169.440.60000114.1Y85 S87 N312 P315 F344Y85-T346 HydrophobicContact CD1-CG2 4.34Å; Y85-T346 HydrophobicContact CE1-CG2 3.57Å; S87-T346 WeakPolarHBondContact CB-O 3.42Å; N312-T346 WeakPolarHBondContact OD1-CG2 3.33Å; N312-T346 PolarHBondContact OD1-OG1 3.42Å; P315-T346 WeakPolarHBondContact CD-OG1 3.4Å; F344-T346 HydrophobicContact CD2-CG2 3.63Å; F344-T346 HydrophobicContact CE2-CG2 3.58Å
347L97.9Very high97.7Very high8 Ų846 Ų464%0.04223%0.234CC..THydrogen-bonded Turntrans-106.319.2-169.4-42.9-176.6000113.9W89 Q90 P315 V345 G349 F350 H351W89-L347 HydrophobicContact CB-CD2 3.58Å; W89-L347 HydrophobicContact CD2-CD1 4.01Å; W89-L347 HydrophobicContact CD2-CD2 3.5Å; W89-L347 VanDerWaalsContact CD2-CD2 3.5Å; W89-L347 HydrophobicContact CD2-CG 4.38Å; W89-L347 HydrophobicContact CE3-CD1 4.31Å; W89-L347 HydrophobicContact CE3-CD2 3.59Å; W89-L347 HydrophobicContact CE3-CG 4.43Å; W89-L347 HydrophobicContact CG-CD1 4.38Å; W89-L347 HydrophobicContact CG-CD2 3.48Å; W89-L347 VanDerWaalsContact CG-CD2 3.48Å; W89-L347 HydrophobicContact CZ2-CD1 4.35Å; W89-L347 HydrophobicContact CZ3-CD2 4.49Å; Q90-L347 HydrophobicContact CG-CD2 4.29Å; Q90-L347 PolarHBondContact OE1-O 2.99Å; P315-L347 HydrophobicContact CB-CB 4.15Å; P315-L347 HydrophobicContact CG-CB 3.83Å; P315-L347 HydrophobicContact CG-CG 4.32Å; V345-L347 PolarHBondContact O-N 2.97Å; L347-G349 VanDerWaalsContact C-N 3.33Å; L347-G349 PolarHBondContact O-N 3.42Å; L347-F350 PolarHBondContact O-N 3.34Å; L347-H351 PolarHBondContact O-CD2 3.21Å; L347-H351 VanDerWaalsContact O-CD2 3.28Å; L347-H351 PolarHBondContact O-N 3.14Å; L347-H351 VanDerWaalsContact O-N 3.08Å
348A98.2Very high97.7Very high19 Ų1946 Ų4616%0.15724%0.235CC..Hα-helixtrans-57.3-45-17500000112.5L65 V345 F350 H351 C352L65-A348 HydrophobicContact CB-CB 3.92Å; L65-A348 HydrophobicContact CD2-CB 3.88Å; L65-A348 HydrophobicContact CG-CB 4.33Å; V345-A348 HydrophobicContact CB-CB 4.21Å; V345-A348 HydrophobicContact CG1-CB 3.92Å; A348-F350 PolarHBondContact O-N 3Å; A348-H351 PolarHBondContact O-N 3.21Å; A348-C352 WeakPolarHBondContact O-CB 3.27Å; A348-C352 PolarHBondContact O-N 2.85Å
349G98.2Very high97.3Very high1 Ų146 Ų461%0.0123%0.234CC..Hα-helixtrans-62.6-41.4179.400000113G66 Q72 L347 I353G66-G349 VanDerWaalsContact O-CA 3.26Å; G66-G349 WeakPolarHBondContact O-CA 3.49Å; G66-G349 PolarHBondContact O-N 2.94Å; Q72-G349 PolarHBondContact NE2-O 2.72Å; Q72-G349 VanDerWaalsContact OE1-CA 3.26Å; L347-G349 VanDerWaalsContact C-N 3.33Å; L347-G349 PolarHBondContact O-N 3.42Å; G349-I353 VanDerWaalsContact O-CG2 3.28Å; G349-I353 WeakPolarHBondContact O-CG2 3.49Å; G349-I353 PolarHBondContact O-N 2.64Å; G349-I353 VanDerWaalsContact O-N 3.1Å
350F98.5Very high97Very high49 Ų4947.7 Ų47.722%0.21524%0.242CC..Hα-helixtrans-64.8-49.6176.9174.9-94.8000112.2W89 Q90 A93 L347 A348 C352 I353 N354W89-F350 AromaticContact CH2-CD1 3.75Å; W89-F350 HydrophobicContact CH2-CD1 3.75Å; W89-F350 AromaticContact CH2-CD2 3.95Å; W89-F350 HydrophobicContact CH2-CD2 3.95Å; W89-F350 AromaticContact CH2-CE1 3.71Å; W89-F350 HydrophobicContact CH2-CE1 3.71Å; W89-F350 AromaticContact CH2-CE2 3.88Å; W89-F350 HydrophobicContact CH2-CE2 3.88Å; W89-F350 AromaticContact CH2-CG 3.88Å; W89-F350 HydrophobicContact CH2-CG 3.88Å; W89-F350 AromaticContact CH2-CZ 3.77Å; W89-F350 HydrophobicContact CH2-CZ 3.77Å; W89-F350 HydrophobicContact CZ3-CB 3.9Å; W89-F350 AromaticContact CZ3-CD1 3.76Å; W89-F350 HydrophobicContact CZ3-CD1 3.76Å; W89-F350 AromaticContact CZ3-CD2 3.53Å; W89-F350 HydrophobicContact CZ3-CD2 3.53Å; W89-F350 HydrophobicContact CZ3-CE1 4.15Å; W89-F350 AromaticContact CZ3-CE2 3.92Å; W89-F350 HydrophobicContact CZ3-CE2 3.92Å; W89-F350 AromaticContact CZ3-CG 3.43Å; W89-F350 HydrophobicContact CZ3-CG 3.43Å; W89-F350 VanDerWaalsContact CZ3-CG 3.43Å; W89-F350 HydrophobicContact CZ3-CZ 4.22Å; Q90-F350 HydrophobicContact CG-CB 4.27Å; A93-F350 HydrophobicContact CB-CD2 4.16Å; A93-F350 HydrophobicContact CB-CE2 4.26Å; L347-F350 PolarHBondContact O-N 3.34Å; A348-F350 PolarHBondContact O-N 3Å; F350-C352 PolarHBondContact O-N 3.2Å; F350-I353 WeakPolarHBondContact O-CG2 3.21Å; F350-N354 VanDerWaalsContact CD2-ND2 3.32Å; F350-N354 WeakPolarHBondContact CD2-ND2 3.45Å; F350-N354 VanDerWaalsContact CE2-ND2 3.27Å; F350-N354 WeakPolarHBondContact CE2-ND2 3.45Å; F350-N354 WeakPolarHBondContact O-CB 3.47Å; F350-N354 PolarHBondContact O-N 3.03Å; F350-N354 PolarHBondContact O-ND2 3.48Å
351H98.1Very high96.7Very high91 Ų9150 Ų5042%0.42126%0.262SS..Hα-helixtrans-65.3-41-180-76.1-73.8000111.7L347 A348 Y355L347-H351 PolarHBondContact O-CD2 3.21Å; L347-H351 VanDerWaalsContact O-CD2 3.28Å; L347-H351 PolarHBondContact O-N 3.14Å; L347-H351 VanDerWaalsContact O-N 3.08Å; A348-H351 PolarHBondContact O-N 3.21Å; H351-Y355 WeakPolarHBondContact O-CB 3.35Å; H351-Y355 PolarHBondContact O-N 3.12Å
352C97Very high96Very high81 Ų8151.7 Ų51.755%0.54727%0.269SS..Hα-helixtrans-61.3-51.6179.5-177.50000112A348 F350 S356A348-C352 WeakPolarHBondContact O-CB 3.27Å; A348-C352 PolarHBondContact O-N 2.85Å; F350-C352 PolarHBondContact O-N 3.2Å; C352-S356 WeakPolarHBondContact O-CB 3.4Å; C352-S356 PolarHBondContact O-N 3.04Å; C352-S356 PolarHBondContact O-OG 3.32Å
353I97.2Very high94.7Very high58 Ų5853.9 Ų53.930%0.29728%0.278SS..Hα-helixtrans-66.3-42.2-176.8-164.5174.1000112.4G349 F350 S356 M357G349-I353 VanDerWaalsContact O-CG2 3.28Å; G349-I353 WeakPolarHBondContact O-CG2 3.49Å; G349-I353 PolarHBondContact O-N 2.64Å; G349-I353 VanDerWaalsContact O-N 3.1Å; F350-I353 WeakPolarHBondContact O-CG2 3.21Å; I353-S356 PolarHBondContact O-OG 2.94Å; I353-M357 WeakPolarHBondContact O-CB 3.13Å; I353-M357 PolarHBondContact O-N 3.1Å; I353-M357 VanDerWaalsContact O-N 3.12Å
354N98.2Very high93.8Very high79 Ų7959.3 Ų59.342%0.42230%0.299SS..Hα-helixtrans-69.3-42.9-178.5-78.8-85.5000111.3F350 F358F350-N354 VanDerWaalsContact CD2-ND2 3.32Å; F350-N354 WeakPolarHBondContact CD2-ND2 3.45Å; F350-N354 VanDerWaalsContact CE2-ND2 3.27Å; F350-N354 WeakPolarHBondContact CE2-ND2 3.45Å; F350-N354 WeakPolarHBondContact O-CB 3.47Å; F350-N354 PolarHBondContact O-N 3.03Å; F350-N354 PolarHBondContact O-ND2 3.48Å; N354-F358 WeakPolarHBondContact O-CB 3.44Å; N354-F358 PolarHBondContact O-N 2.78Å
355Y95.5Very high93.1Very high139 Ų13970.1 Ų70.155%0.54534%0.34SS..Hα-helixtrans-68.2-47.7-179.3-177.5-109.1000112.2H351 M357 F358 K359H351-Y355 WeakPolarHBondContact O-CB 3.35Å; H351-Y355 PolarHBondContact O-N 3.12Å; Y355-M357 PolarHBondContact O-N 3.33Å; Y355-F358 PolarHBondContact O-N 3.26Å; Y355-K359 HydrophobicContact CD1-CG 4.46Å; Y355-K359 HydrophobicContact CD2-CG 4.36Å; Y355-K359 HydrophobicContact CE1-CG 4.03Å; Y355-K359 HydrophobicContact CE2-CD 4.18Å; Y355-K359 HydrophobicContact CE2-CG 3.91Å; Y355-K359 WeakPolarHBondContact O-CG 3.21Å; Y355-K359 PolarHBondContact O-N 3.15Å
356S94.4Very high91.7Very high64 Ų6471.8 Ų71.845%0.44835%0.346SS..Hα-helixtrans-63.1-43.6-179.264.30000111.5C352 I353 K359 L360C352-S356 WeakPolarHBondContact O-CB 3.4Å; C352-S356 PolarHBondContact O-N 3.04Å; C352-S356 PolarHBondContact O-OG 3.32Å; I353-S356 PolarHBondContact O-OG 2.94Å; S356-K359 PolarHBondContact O-N 3.03Å; S356-L360 WeakPolarHBondContact O-CB 3.38Å; S356-L360 PolarHBondContact O-N 3.45Å
357M97.9Very high90.4Very high111 Ų11173 Ų7355%0.54735%0.35SS..Hα-helixtrans-67.7-40.1177-172.755.564.200112.1I353 Y355 K359 L360 A361I353-M357 WeakPolarHBondContact O-CB 3.13Å; I353-M357 PolarHBondContact O-N 3.1Å; I353-M357 VanDerWaalsContact O-N 3.12Å; Y355-M357 PolarHBondContact O-N 3.33Å; M357-K359 VanDerWaalsContact C-N 3.35Å; M357-K359 PolarHBondContact O-N 3.05Å; M357-L360 PolarHBondContact O-N 2.9Å; M357-L360 HydrophobicContact SD-CD2 4.47Å; M357-A361 WeakPolarHBondContact O-CB 3.38Å; M357-A361 PolarHBondContact O-N 2.7Å
358F96.3Very high89.7Confident132 Ų13273.8 Ų73.858%0.57936%0.361SS*.Hα-helixtrans-59.9-45.2174.9174.6-97.7000111.6N354 Y355 A361 K362N354-F358 WeakPolarHBondContact O-CB 3.44Å; N354-F358 PolarHBondContact O-N 2.78Å; Y355-F358 PolarHBondContact O-N 3.26Å; F358-A361 PolarHBondContact O-N 3.26Å; F358-K362 HydrophobicContact CE1-CD 4.46Å; F358-K362 VanDerWaalsContact O-CB 3.25Å; F358-K362 WeakPolarHBondContact O-CB 3.4Å; F358-K362 PolarHBondContact O-N 3.23Å
359K90.1Very high89.2Confident36 Ų3678.6 Ų78.616%0.15738%0.381CS..Hα-helixtrans-64.1-48.5177.6-71.8-74.7-72.5-166.90111.1Y355 S356 M357 A361 K362 Y363 D460Y355-K359 HydrophobicContact CD1-CG 4.46Å; Y355-K359 HydrophobicContact CD2-CG 4.36Å; Y355-K359 HydrophobicContact CE1-CG 4.03Å; Y355-K359 HydrophobicContact CE2-CD 4.18Å; Y355-K359 HydrophobicContact CE2-CG 3.91Å; Y355-K359 WeakPolarHBondContact O-CG 3.21Å; Y355-K359 PolarHBondContact O-N 3.15Å; S356-K359 PolarHBondContact O-N 3.03Å; M357-K359 VanDerWaalsContact C-N 3.35Å; M357-K359 PolarHBondContact O-N 3.05Å; K359-A361 PolarHBondContact O-N 3.23Å; K359-K362 PolarHBondContact O-N 3.35Å; K359-Y363 WeakPolarHBondContact CE-OH 3.23Å; K359-Y363 PolarHBondContact NZ-OH 2.96Å; K359-Y363 WeakPolarHBondContact O-CB 3.37Å; K359-Y363 VanDerWaalsContact O-CD2 3.31Å; K359-Y363 WeakPolarHBondContact O-CD2 3.48Å; K359-Y363 VanDerWaalsContact O-CG 3.27Å; K359-Y363 PolarHBondContact O-N 3.31Å; K359-D460 IonicContact NZ-OD1 3.89Å; K359-D460 PolarHBondContact NZ-OD1 3.31Å; K359-D460 IonicContact NZ-OD2 2.74Å; K359-D460 PolarHBondContact NZ-OD2 2.81Å
360L91.3Very high87.9Confident39 Ų3979.3 Ų79.320%0.20439%0.385CS..Hα-helixtrans-58.7-47.3176.4179.462.3000111.2S356 M357 Y363 Y364 A371 L375S356-L360 WeakPolarHBondContact O-CB 3.38Å; S356-L360 PolarHBondContact O-N 3.45Å; M357-L360 PolarHBondContact O-N 2.9Å; M357-L360 HydrophobicContact SD-CD2 4.47Å; L360-Y363 PolarHBondContact O-N 3.08Å; L360-Y364 WeakPolarHBondContact O-CB 3.12Å; L360-Y364 PolarHBondContact O-N 2.73Å; L360-A371 HydrophobicContact CD1-CB 4.45Å; L360-L375 HydrophobicContact CD1-CD2 4.37Å; L360-L375 HydrophobicContact CD2-CD2 3.97Å
361A91.2Very high86.5Confident53 Ų5377.4 Ų77.444%0.43838%0.378SS..Hα-helixtrans-66.5-41-179.800000112.6M357 F358 K359 Y363 Y364 R365M357-A361 WeakPolarHBondContact O-CB 3.38Å; M357-A361 PolarHBondContact O-N 2.7Å; F358-A361 PolarHBondContact O-N 3.26Å; K359-A361 PolarHBondContact O-N 3.23Å; A361-Y363 VanDerWaalsContact C-N 3.32Å; A361-Y363 PolarHBondContact O-N 3.3Å; A361-Y364 PolarHBondContact O-N 3.12Å; A361-R365 WeakPolarHBondContact O-CB 3.5Å; A361-R365 PolarHBondContact O-N 2.99Å
362K84.3Confident85.8Confident79 Ų7978.2 Ų78.234%0.34338%0.378SS..Hα-helixtrans-58.5-48174.9-176.7-177.4177.7-168.30110F358 K359 M366 D465F358-K362 HydrophobicContact CE1-CD 4.46Å; F358-K362 VanDerWaalsContact O-CB 3.25Å; F358-K362 WeakPolarHBondContact O-CB 3.4Å; F358-K362 PolarHBondContact O-N 3.23Å; K359-K362 PolarHBondContact O-N 3.35Å; K362-M366 HydrophobicContact CG-SD 4.42Å; K362-M366 WeakPolarHBondContact O-CG 3.29Å; K362-M366 PolarHBondContact O-N 2.91Å; K362-D465 IonicContact NZ-OD2 3.65Å
363Y72.3Confident85.1Confident47 Ų4776.2 Ų76.218%0.18436%0.364CS..Hα-helixtrans-71.8-40.9180-65.3-25.9000112.1K359 L360 A361 R365 M366 F367 A371 D460K359-Y363 WeakPolarHBondContact CE-OH 3.23Å; K359-Y363 PolarHBondContact NZ-OH 2.96Å; K359-Y363 WeakPolarHBondContact O-CB 3.37Å; K359-Y363 VanDerWaalsContact O-CD2 3.31Å; K359-Y363 WeakPolarHBondContact O-CD2 3.48Å; K359-Y363 VanDerWaalsContact O-CG 3.27Å; K359-Y363 PolarHBondContact O-N 3.31Å; L360-Y363 PolarHBondContact O-N 3.08Å; A361-Y363 VanDerWaalsContact C-N 3.32Å; A361-Y363 PolarHBondContact O-N 3.3Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 3.4Å; Y363-M366 CarbonylContact O-C 3.44Å; Y363-M366 PolarHBondContact O-N 3.27Å; Y363-F367 HydrophobicContact CD1-CD2 4.3Å; Y363-F367 AromaticContact CD1-CE2 3.6Å; Y363-F367 HydrophobicContact CD1-CE2 3.6Å; Y363-F367 HydrophobicContact CE1-CE2 4.34Å; Y363-F367 HydrophobicContact CG-CD2 4.33Å; Y363-F367 HydrophobicContact CG-CE2 4.02Å; Y363-F367 WeakPolarHBondContact O-CD2 3.49Å; Y363-F367 PolarHBondContact O-N 3.49Å; Y363-A371 VanDerWaalsContact C-CB 3.42Å; Y363-D460 PolarHBondContact OH-OD1 3.49Å; Y363-D460 VanDerWaalsContact OH-OD1 3.12Å
364Y78.8Confident84.1Confident114 Ų11474.4 Ų74.445%0.44736%0.355SS..Hα-helixtrans-61-36.6176.5-166.8-95.6000111.9L360 A361 M366 G368 M369 A371L360-Y364 WeakPolarHBondContact O-CB 3.12Å; L360-Y364 PolarHBondContact O-N 2.73Å; A361-Y364 PolarHBondContact O-N 3.12Å; Y364-M366 VanDerWaalsContact C-N 3.27Å; Y364-M366 PolarHBondContact O-N 2.91Å; Y364-G368 WeakPolarHBondContact CD2-O 3.33Å; Y364-G368 WeakPolarHBondContact CE2-O 3.41Å; Y364-G368 WeakPolarHBondContact O-CA 3.35Å; Y364-G368 PolarHBondContact O-N 3.49Å; Y364-M369 HydrophobicContact CE2-SD 3.83Å; Y364-M369 PolarHBondContact OH-SD 3.24Å; Y364-M369 VanDerWaalsContact OH-SD 3.4Å; Y364-A371 HydrophobicContact CD2-CB 4.49Å; Y364-A371 VanDerWaalsContact N-CB 3.34Å
365R84Confident83.7Confident228 Ų22873.9 Ų73.986%0.8635%0.352SS*.Hα-helixtrans-61-35.4171.8175.4-176.8161.7-167.4-6112.7A361 Y363A361-R365 WeakPolarHBondContact O-CB 3.5Å; A361-R365 PolarHBondContact O-N 2.99Å; Y363-R365 VanDerWaalsContact C-N 3.26Å; Y363-R365 PolarHBondContact O-N 3.4Å
366M68.6Low83.5Confident70 Ų7069.8 Ų69.835%0.34534%0.338SS..Hα-helixtrans-87.4-40.6-175.8-67.2174.967.900112.7K362 Y363 Y364 N448K362-M366 HydrophobicContact CG-SD 4.42Å; K362-M366 WeakPolarHBondContact O-CG 3.29Å; K362-M366 PolarHBondContact O-N 2.91Å; Y363-M366 CarbonylContact O-C 3.44Å; Y363-M366 PolarHBondContact O-N 3.27Å; Y364-M366 VanDerWaalsContact C-N 3.27Å; Y364-M366 PolarHBondContact O-N 2.91Å; M366-N448 WeakPolarHBondContact CE-OD1 3.05Å
367F71.2Confident82.9Confident34 Ų3470.8 Ų70.815%0.14934%0.336CS..Hα-helixtrans-118.5-6.1-167-46.3-81.9000113.4Y363 M369 E370 A371 F446 R447Y363-F367 HydrophobicContact CD1-CD2 4.3Å; Y363-F367 AromaticContact CD1-CE2 3.6Å; Y363-F367 HydrophobicContact CD1-CE2 3.6Å; Y363-F367 HydrophobicContact CE1-CE2 4.34Å; Y363-F367 HydrophobicContact CG-CD2 4.33Å; Y363-F367 HydrophobicContact CG-CE2 4.02Å; Y363-F367 WeakPolarHBondContact O-CD2 3.49Å; Y363-F367 PolarHBondContact O-N 3.49Å; F367-M369 PolarHBondContact O-N 3.3Å; F367-E370 HydrophobicContact CB-CB 4.01Å; F367-E370 HydrophobicContact CB-CG 4.17Å; F367-E370 WeakPolarHBondContact O-CB 3.26Å; F367-E370 PolarHBondContact O-N 3.45Å; F367-A371 HydrophobicContact CB-CB 4.49Å; F367-F446 HydrophobicContact CE1-CB 4.29Å; F367-R447 VanDerWaalsContact CD1-C 3.44Å; F367-R447 HydrophobicContact CD1-CB 3.87Å; F367-R447 WeakPolarHBondContact CD1-O 3.46Å; F367-R447 VanDerWaalsContact CE1-CA 3.43Å; F367-R447 HydrophobicContact CE1-CB 4.22Å; F367-R447 WeakPolarHBondContact CE1-O 3.41Å
368G83.2Confident82.3Confident25 Ų2568.9 Ų68.926%0.25833%0.328SS..THydrogen-bonded Turntrans60.2-135.8-176.700000112.5Y364 E370 A371Y364-G368 WeakPolarHBondContact CD2-O 3.33Å; Y364-G368 WeakPolarHBondContact CE2-O 3.41Å; Y364-G368 WeakPolarHBondContact O-CA 3.35Å; Y364-G368 PolarHBondContact O-N 3.49Å; G368-E370 PolarHBondContact O-N 3.42Å; G368-E370 VanDerWaalsContact O-N 3.08Å; G368-A371 PolarHBondContact O-N 2.99Å; G368-A371 VanDerWaalsContact O-N 3.08Å
369M87.6Confident82Confident120 Ų12064.3 Ų64.359%0.59131%0.308SS*.Hα-helixtrans-58.5-23.3-175.9-71.5-53-56.900114.5Y364 F367 A371 Y372 S373Y364-M369 HydrophobicContact CE2-SD 3.83Å; Y364-M369 PolarHBondContact OH-SD 3.24Å; Y364-M369 VanDerWaalsContact OH-SD 3.4Å; F367-M369 PolarHBondContact O-N 3.3Å; M369-A371 VanDerWaalsContact C-N 3.34Å; M369-A371 PolarHBondContact O-N 2.98Å; M369-Y372 HydrophobicContact CE-CD1 4.31Å; M369-Y372 PolarHBondContact O-N 2.81Å; M369-S373 PolarHBondContact O-N 2.8Å
370E70.6Confident81.8Confident17 Ų1765.1 Ų65.18%0.07931%0.314CS..Hα-helixtrans-57-47.2173.6168.4164.1-135.500112F367 G368 Y372 S373 N374 V444 G445 F446F367-E370 HydrophobicContact CB-CB 4.01Å; F367-E370 HydrophobicContact CB-CG 4.17Å; F367-E370 WeakPolarHBondContact O-CB 3.26Å; F367-E370 PolarHBondContact O-N 3.45Å; G368-E370 PolarHBondContact O-N 3.42Å; G368-E370 VanDerWaalsContact O-N 3.08Å; E370-Y372 PolarHBondContact O-N 2.9Å; E370-Y372 VanDerWaalsContact O-N 3.14Å; E370-S373 PolarHBondContact O-N 3.26Å; E370-S373 VanDerWaalsContact O-N 3.09Å; E370-N374 VanDerWaalsContact CG-ND2 3.27Å; E370-N374 WeakPolarHBondContact CG-ND2 3.22Å; E370-N374 PolarHBondContact O-N 2.93Å; E370-N374 PolarHBondContact O-ND2 2.82Å; E370-V444 HydrophobicContact CB-CG1 3.86Å; E370-V444 HydrophobicContact CG-CG1 3.85Å; E370-G445 VanDerWaalsContact OE1-CA 3.29Å; E370-G445 WeakPolarHBondContact OE1-CA 3.3Å; E370-G445 PolarHBondContact OE1-N 3.5Å; E370-G445 VanDerWaalsContact OE1-O 3.13Å; E370-F446 VanDerWaalsContact CD-CA 3.43Å; E370-F446 WeakPolarHBondContact OE1-CA 3.49Å; E370-F446 PolarHBondContact OE1-N 2.92Å; E370-F446 WeakPolarHBondContact OE2-CA 3.34Å
371A69.1Low81.3Confident8 Ų869.1 Ų69.17%0.06633%0.332CS..Hα-helixtrans-57.2-35.7179.700000112L360 Y363 Y364 F367 G368 M369 L375L360-A371 HydrophobicContact CD1-CB 4.45Å; Y363-A371 VanDerWaalsContact C-CB 3.42Å; Y364-A371 HydrophobicContact CD2-CB 4.49Å; Y364-A371 VanDerWaalsContact N-CB 3.34Å; F367-A371 HydrophobicContact CB-CB 4.49Å; G368-A371 PolarHBondContact O-N 2.99Å; G368-A371 VanDerWaalsContact O-N 3.08Å; M369-A371 VanDerWaalsContact C-N 3.34Å; M369-A371 PolarHBondContact O-N 2.98Å; A371-L375 PolarHBondContact O-N 3.48Å
372Y83.6Confident81.2Confident109 Ų10967.8 Ų67.843%0.42732%0.321SS..Hα-helixtrans-74.7-43.5176.1-170.6-88.4000112.4M369 E370 N374 L375 Q376M369-Y372 HydrophobicContact CE-CD1 4.31Å; M369-Y372 PolarHBondContact O-N 2.81Å; E370-Y372 PolarHBondContact O-N 2.9Å; E370-Y372 VanDerWaalsContact O-N 3.14Å; Y372-N374 PolarHBondContact O-N 3.08Å; Y372-L375 WeakPolarHBondContact O-CB 3.19Å; Y372-L375 PolarHBondContact O-N 3.3Å; Y372-L375 VanDerWaalsContact O-N 3.16Å; Y372-Q376 PolarHBondContact O-N 3.42Å
373S81.6Confident81.5Confident38 Ų3866.9 Ų66.927%0.26632%0.318SS..Hα-helixtrans-57.4-35.5176.6-175.30000111.5M369 E370 Q376 Q377M369-S373 PolarHBondContact O-N 2.8Å; E370-S373 PolarHBondContact O-N 3.26Å; E370-S373 VanDerWaalsContact O-N 3.09Å; S373-Q376 CarbonylContact O-C 3.51Å; S373-Q376 WeakPolarHBondContact O-CB 3.44Å; S373-Q376 PolarHBondContact O-N 2.82Å; S373-Q377 WeakPolarHBondContact O-CG 3.28Å; S373-Q377 PolarHBondContact O-N 3.35Å
374N76.4Confident82.1Confident20 Ų2073.7 Ų73.711%0.10735%0.351CS..Hα-helixtrans-72.5-37.4178.1-69.9-54.3000114E370 Y372 Q376 Q377 N378 F446E370-N374 VanDerWaalsContact CG-ND2 3.27Å; E370-N374 WeakPolarHBondContact CG-ND2 3.22Å; E370-N374 PolarHBondContact O-N 2.93Å; E370-N374 PolarHBondContact O-ND2 2.82Å; Y372-N374 PolarHBondContact O-N 3.08Å; N374-Q376 VanDerWaalsContact C-N 3.26Å; N374-Q376 PolarHBondContact O-N 2.8Å; N374-Q377 PolarHBondContact O-N 3.46Å; N374-N378 PolarHBondContact O-N 3.36Å; N374-N378 PolarHBondContact O-ND2 3.43Å; N374-F446 HydrophobicContact CB-CE1 3.77Å; N374-F446 HydrophobicContact CB-CE2 4.28Å; N374-F446 HydrophobicContact CB-CZ 3.38Å; N374-F446 WeakPolarHBondContact ND2-CE1 3.42Å; N374-F446 WeakPolarHBondContact ND2-CE2 3.42Å; N374-F446 WeakPolarHBondContact ND2-CZ 3.45Å; N374-F446 WeakPolarHBondContact OD1-CE2 3.45Å; N374-F446 WeakPolarHBondContact OD1-CZ 3.44Å
375L88.8Confident82.5Confident68 Ų6876.7 Ų76.736%0.35637%0.369SS..Hα-helixtrans-56.1-47.4166.6172.962.7000110L360 A371 Y372 Q377 N378 E379L360-L375 HydrophobicContact CD1-CD2 4.37Å; L360-L375 HydrophobicContact CD2-CD2 3.97Å; A371-L375 PolarHBondContact O-N 3.48Å; Y372-L375 WeakPolarHBondContact O-CB 3.19Å; Y372-L375 PolarHBondContact O-N 3.3Å; Y372-L375 VanDerWaalsContact O-N 3.16Å; L375-Q377 PolarHBondContact O-N 3.25Å; L375-N378 WeakPolarHBondContact O-CB 3.44Å; L375-N378 PolarHBondContact O-N 2.92Å; L375-E379 HydrophobicContact CD1-CG 4.47Å; L375-E379 WeakPolarHBondContact O-CG 3.29Å; L375-E379 PolarHBondContact O-N 3.43Å
376Q91.4Very high82.9Confident54 Ų5467.4 Ų67.425%0.25234%0.344SS..Hα-helixtrans-61.7-39.7179.5-172-175.653.300113.2Y372 S373 N374 E379 L380 I390Y372-Q376 PolarHBondContact O-N 3.42Å; S373-Q376 CarbonylContact O-C 3.51Å; S373-Q376 WeakPolarHBondContact O-CB 3.44Å; S373-Q376 PolarHBondContact O-N 2.82Å; N374-Q376 VanDerWaalsContact C-N 3.26Å; N374-Q376 PolarHBondContact O-N 2.8Å; Q376-E379 WeakPolarHBondContact O-CB 3.39Å; Q376-E379 PolarHBondContact O-N 2.79Å; Q376-L380 WeakPolarHBondContact O-CG 3.44Å; Q376-L380 PolarHBondContact O-N 2.89Å; Q376-I390 HydrophobicContact CG-CD1 3.66Å
377Q83Confident84.1Confident84 Ų8467.1 Ų67.139%0.39334%0.34SS..Hα-helixtrans-67-39.7176-68.7-54.3-5400112S373 N374 L375 E379 L380 Q381S373-Q377 WeakPolarHBondContact O-CG 3.28Å; S373-Q377 PolarHBondContact O-N 3.35Å; N374-Q377 PolarHBondContact O-N 3.46Å; L375-Q377 PolarHBondContact O-N 3.25Å; Q377-E379 VanDerWaalsContact C-N 3.27Å; Q377-E379 PolarHBondContact O-N 2.89Å; Q377-L380 PolarHBondContact O-N 2.8Å; Q377-Q381 WeakPolarHBondContact O-CG 3.4Å; Q377-Q381 PolarHBondContact O-N 2.97Å
378N84.2Confident85.2Confident72 Ų7266.7 Ų66.739%0.38534%0.34SS..Hα-helixtrans-63.5-36.6174-65.3-17.7000111.3N374 L375 Q381 A382N374-N378 PolarHBondContact O-N 3.36Å; N374-N378 PolarHBondContact O-ND2 3.43Å; L375-N378 WeakPolarHBondContact O-CB 3.44Å; L375-N378 PolarHBondContact O-N 2.92Å; N378-Q381 PolarHBondContact O-N 2.9Å; N378-A382 WeakPolarHBondContact O-CB 3.46Å; N378-A382 PolarHBondContact O-N 3.35Å
379E91.2Very high85.8Confident35 Ų3566.4 Ų66.416%0.16434%0.335CS..Hα-helixtrans-64.8-42.8174.5-74.2-176.7109.500112.7L375 Q376 Q377 Q381 A382 E383 Y387 I390L375-E379 HydrophobicContact CD1-CG 4.47Å; L375-E379 WeakPolarHBondContact O-CG 3.29Å; L375-E379 PolarHBondContact O-N 3.43Å; Q376-E379 WeakPolarHBondContact O-CB 3.39Å; Q376-E379 PolarHBondContact O-N 2.79Å; Q377-E379 VanDerWaalsContact C-N 3.27Å; Q377-E379 PolarHBondContact O-N 2.89Å; E379-Q381 VanDerWaalsContact C-N 3.34Å; E379-A382 PolarHBondContact O-N 2.8Å; E379-E383 PolarHBondContact O-N 3.38Å; E379-Y387 HydrophobicContact CB-CD1 4.22Å; E379-Y387 HydrophobicContact CB-CE1 3.67Å; E379-Y387 HydrophobicContact CG-CE1 3.61Å; E379-Y387 WeakPolarHBondContact O-CD1 3.26Å; E379-Y387 WeakPolarHBondContact OE1-CE1 3.31Å; E379-Y387 PolarHBondContact OE1-OH 3.13Å; E379-I390 HydrophobicContact CB-CB 4.26Å; E379-I390 HydrophobicContact CB-CD1 3.92Å; E379-I390 HydrophobicContact CB-CG1 4.44Å
380L86.2Confident86.1Confident54 Ų5461 Ų6128%0.28331%0.308SS..Hα-helixtrans-61-41.9174.4-75.1165.2000111.7Q376 Q377 A382 E383 I390 F427Q376-L380 WeakPolarHBondContact O-CG 3.44Å; Q376-L380 PolarHBondContact O-N 2.89Å; Q377-L380 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-E383 WeakPolarHBondContact O-CB 3.18Å; L380-E383 WeakPolarHBondContact O-CG 3.42Å; L380-E383 PolarHBondContact O-N 3.32Å; L380-I390 HydrophobicContact CD2-CG1 3.8Å; L380-I390 HydrophobicContact CG-CD1 4.29Å; L380-I390 HydrophobicContact CG-CG1 4.03Å; L380-F427 HydrophobicContact CD2-CD1 4.49Å
381Q80.9Confident87.2Confident123 Ų12361.2 Ų61.258%0.57531%0.31SS*.Hα-helixtrans-65.7-38.6176.9-70.3172.66.300112Q377 N378 E379 E383 E384Q377-Q381 WeakPolarHBondContact O-CG 3.4Å; Q377-Q381 PolarHBondContact O-N 2.97Å; N378-Q381 PolarHBondContact O-N 2.9Å; E379-Q381 VanDerWaalsContact C-N 3.34Å; Q381-E383 PolarHBondContact O-N 3.28Å; Q381-E383 VanDerWaalsContact O-N 3.15Å; Q381-E384 PolarHBondContact O-N 2.95Å
382A87.4Confident88.5Confident25 Ų2565.1 Ų65.121%0.20733%0.326CS..G310 helixtrans-67.3-11.5179.300000113.7N378 E379 L380 E384 E385 G386 Y387N378-A382 WeakPolarHBondContact O-CB 3.46Å; N378-A382 PolarHBondContact O-N 3.35Å; E379-A382 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact C-N 3.34Å; A382-E384 PolarHBondContact O-N 3.49Å; A382-E385 WeakPolarHBondContact O-CB 3.35Å; A382-E385 PolarHBondContact O-N 3.36Å; A382-G386 PolarHBondContact O-N 3Å; A382-Y387 HydrophobicContact CB-CD1 4.33Å; A382-Y387 HydrophobicContact CB-CG 4.14Å; A382-Y387 WeakPolarHBondContact O-CB 3.42Å; A382-Y387 PolarHBondContact O-N 2.94Å; A382-Y387 VanDerWaalsContact O-N 3.07Å
383E90.5Very high89.1Confident59 Ų5963.2 Ų63.228%0.27632%0.321SS..G310 helixtrans-59.5-34173.8-65.2-164.19700112.3E379 L380 Q381 E385 G386 Y387 I390 H391E379-E383 PolarHBondContact O-N 3.38Å; L380-E383 WeakPolarHBondContact O-CB 3.18Å; L380-E383 WeakPolarHBondContact O-CG 3.42Å; L380-E383 PolarHBondContact O-N 3.32Å; Q381-E383 PolarHBondContact O-N 3.28Å; Q381-E383 VanDerWaalsContact O-N 3.15Å; E383-E385 PolarHBondContact O-N 3.44Å; E383-G386 PolarHBondContact O-N 3.44Å; E383-Y387 WeakPolarHBondContact CA-O 3.19Å; E383-I390 VanDerWaalsContact CD-CG2 3.48Å; E383-I390 HydrophobicContact CG-CG2 3.77Å; E383-I390 WeakPolarHBondContact OE1-CG2 3.22Å; E383-H391 IonicContact OE1-CD2 3.15Å; E383-H391 PolarHBondContact OE1-CD2 3.45Å; E383-H391 IonicContact OE1-NE2 3.78Å; E383-H391 PolarHBondContact OE1-NE2 2.89Å
384E84.8Confident89.6Confident190 Ų19063.8 Ų63.889%0.88832%0.317SS*.G310 helixtrans-63.6-25.2176-63-169.2170.800112.4Q381 A382Q381-E384 PolarHBondContact O-N 2.95Å; A382-E384 PolarHBondContact O-N 3.49Å
385E88.9Confident90.5Very high178 Ų17863.4 Ų63.483%0.83232%0.315SS*.G310 helixtrans-90.7-0.6175.9-58.8-176.8-120.500112.8A382 E383A382-E385 WeakPolarHBondContact O-CB 3.35Å; A382-E385 PolarHBondContact O-N 3.36Å; E383-E385 PolarHBondContact O-N 3.44Å
386G90.7Very high90.9Very high32 Ų3264.2 Ų64.233%0.3332%0.323SS..THydrogen-bonded Turntrans9613.6178.400000115.3R78 A382 E383R78-G386 VanDerWaalsContact CD-O 3.28Å; R78-G386 WeakPolarHBondContact CD-O 3.44Å; A382-G386 PolarHBondContact O-N 3Å; E383-G386 PolarHBondContact O-N 3.44Å
387Y94Very high91.2Very high65 Ų6561.7 Ų61.726%0.25531%0.311SS..  trans-67.2145.8167.1-173-109000110.8E379 A382 E383 A389 I390E379-Y387 HydrophobicContact CB-CD1 4.22Å; E379-Y387 HydrophobicContact CB-CE1 3.67Å; E379-Y387 HydrophobicContact CG-CE1 3.61Å; E379-Y387 WeakPolarHBondContact O-CD1 3.26Å; E379-Y387 WeakPolarHBondContact OE1-CE1 3.31Å; E379-Y387 PolarHBondContact OE1-OH 3.13Å; A382-Y387 HydrophobicContact CB-CD1 4.33Å; A382-Y387 HydrophobicContact CB-CG 4.14Å; A382-Y387 WeakPolarHBondContact O-CB 3.42Å; A382-Y387 PolarHBondContact O-N 2.94Å; A382-Y387 VanDerWaalsContact O-N 3.07Å; E383-Y387 WeakPolarHBondContact CA-O 3.19Å; Y387-A389 HydrophobicContact CE1-CB 4.15Å; Y387-A389 HydrophobicContact CE2-CB 3.99Å; Y387-I390 HydrophobicContact CE1-CB 4.37Å
388T94.2Very high91.8Very high25 Ų2559.3 Ų59.315%0.15330%0.302CS..  trans-139.5-7-177.858.70000114.5R78 I390 H391 E395R78-T388 PolarHBondContact NE-OG1 3.48Å; R78-T388 PolarHBondContact NH1-OG1 2.71Å; R78-T388 PolarHBondContact NH2-OG1 3.48Å; R78-T388 VanDerWaalsContact NH2-OG1 3.1Å; T388-I390 PolarHBondContact O-N 3.18Å; T388-I390 VanDerWaalsContact O-N 3.17Å; T388-H391 PolarHBondContact O-N 2.65Å; T388-H391 VanDerWaalsContact O-N 3.11Å; T388-E395 WeakPolarHBondContact CB-OE2 3.24Å; T388-E395 VanDerWaalsContact OG1-CD 3.28Å; T388-E395 PolarHBondContact OG1-OE1 3.42Å; T388-E395 PolarHBondContact OG1-OE2 3.05Å
389A96.5Very high92.1Very high19 Ų1959.4 Ų59.416%0.15730%0.301CS..THydrogen-bonded Turntrans-75.7-2.5-173.600000113.9Y387 H391 H392 E395Y387-A389 HydrophobicContact CE1-CB 4.15Å; Y387-A389 HydrophobicContact CE2-CB 3.99Å; A389-H391 PolarHBondContact O-N 2.97Å; A389-H392 WeakPolarHBondContact O-CA 3.21Å; A389-H392 WeakPolarHBondContact O-CB 3.37Å; A389-H392 PolarHBondContact O-N 2.71Å; A389-E395 HydrophobicContact CB-CB 4.43Å; A389-E395 HydrophobicContact CB-CG 3.81Å
390I94.6Very high92.3Very high5 Ų560.2 Ų60.23%0.02630%0.302CS..THydrogen-bonded Turntrans-58.7-38.2164.4-170.459.2000111Q376 E379 L380 E383 Y387 T388 H392 F427Q376-I390 HydrophobicContact CG-CD1 3.66Å; E379-I390 HydrophobicContact CB-CB 4.26Å; E379-I390 HydrophobicContact CB-CD1 3.92Å; E379-I390 HydrophobicContact CB-CG1 4.44Å; L380-I390 HydrophobicContact CD2-CG1 3.8Å; L380-I390 HydrophobicContact CG-CD1 4.29Å; L380-I390 HydrophobicContact CG-CG1 4.03Å; E383-I390 VanDerWaalsContact CD-CG2 3.48Å; E383-I390 HydrophobicContact CG-CG2 3.77Å; E383-I390 WeakPolarHBondContact OE1-CG2 3.22Å; Y387-I390 HydrophobicContact CE1-CB 4.37Å; T388-I390 PolarHBondContact O-N 3.18Å; T388-I390 VanDerWaalsContact O-N 3.17Å; I390-H392 PolarHBondContact O-N 3.33Å; I390-H392 PolarHBondContact O-ND1 2.76Å; I390-F427 HydrophobicContact CD1-CD1 4.38Å; I390-F427 HydrophobicContact CD1-CE1 3.89Å; I390-F427 HydrophobicContact CG1-CD1 3.94Å; I390-F427 HydrophobicContact CG1-CE1 3.97Å
391H93.8Very high92.9Very high23 Ų2363.6 Ų63.611%0.10631%0.312CS..SBendtrans-82.864.2166.8-55.8-67000110.1E383 T388 A389 Q393 R394 E395 E423 F427E383-H391 IonicContact OE1-CD2 3.15Å; E383-H391 PolarHBondContact OE1-CD2 3.45Å; E383-H391 IonicContact OE1-NE2 3.78Å; E383-H391 PolarHBondContact OE1-NE2 2.89Å; T388-H391 PolarHBondContact O-N 2.65Å; T388-H391 VanDerWaalsContact O-N 3.11Å; A389-H391 PolarHBondContact O-N 2.97Å; H391-Q393 VanDerWaalsContact C-N 3.27Å; H391-Q393 PolarHBondContact O-N 3.4Å; H391-R394 HydrophobicContact CB-CB 4.18Å; H391-R394 PolarHBondContact O-N 3.3Å; H391-E395 WeakPolarHBondContact O-CB 3.18Å; H391-E395 PolarHBondContact O-N 2.71Å; H391-E423 VanDerWaalsContact CA-CD 3.5Å; H391-E423 VanDerWaalsContact CA-OE2 3.26Å; H391-E423 WeakPolarHBondContact CA-OE2 3.35Å; H391-E423 HydrophobicContact CB-CG 4.44Å; H391-F427 PolarHBondContact CE1-O 3.47Å
392H95.5Very high93.5Very high89 Ų8958.9 Ų58.941%0.41229%0.291SS..Hα-helixtrans-62.9-28.5-170.955.7-86.8000113.6A389 I390 V396 E423A389-H392 WeakPolarHBondContact O-CA 3.21Å; A389-H392 WeakPolarHBondContact O-CB 3.37Å; A389-H392 PolarHBondContact O-N 2.71Å; I390-H392 PolarHBondContact O-N 3.33Å; I390-H392 PolarHBondContact O-ND1 2.76Å; H392-V396 WeakPolarHBondContact O-CG2 3.13Å; H392-V396 PolarHBondContact O-N 2.79Å; H392-E423 IonicContact CE1-OE2 2.68Å; H392-E423 IonicContact CG-OE2 3.64Å; H392-E423 PolarHBondContact N-OE2 3.28Å; H392-E423 IonicContact ND1-OE2 3Å
393Q95.7Very high93.8Very high69 Ų6960 Ų6032%0.32230%0.297SS..Hα-helixtrans-69.5-46.1175.7-52.4-62.2-22.800110.5H391 G397 V398 L418 E423H391-Q393 VanDerWaalsContact C-N 3.27Å; H391-Q393 PolarHBondContact O-N 3.4Å; Q393-G397 PolarHBondContact O-N 2.64Å; Q393-V398 HydrophobicContact CB-CB 4.26Å; Q393-V398 HydrophobicContact CB-CG2 3.92Å; Q393-V398 WeakPolarHBondContact O-CB 3.29Å; Q393-V398 VanDerWaalsContact O-CG2 3.31Å; Q393-V398 WeakPolarHBondContact O-CG2 3.34Å; Q393-V398 PolarHBondContact O-N 3.31Å; Q393-L418 HydrophobicContact CB-CD1 4.15Å; Q393-E423 WeakPolarHBondContact CB-OE1 3.32Å; Q393-E423 WeakPolarHBondContact CB-OE2 3.34Å; Q393-E423 HydrophobicContact CG-CB 4.15Å; Q393-E423 WeakPolarHBondContact CG-OE2 3.47Å; Q393-E423 PolarHBondContact N-OE2 2.93Å
394R93.7Very high94.1Very high50 Ų5060.3 Ų60.319%0.18930%0.3CS..Hα-helixtrans-59-47.3170.5-179.9-177.6167.7-85.1-2.5111.7E134 H391 V396 G397 E423E134-R394 IonicContact OE1-CZ 2.89Å; E134-R394 IonicContact OE1-NE 3.51Å; E134-R394 PolarHBondContact OE1-NE 3.01Å; E134-R394 IonicContact OE1-NH2 2.96Å; E134-R394 PolarHBondContact OE1-NH2 2.99Å; E134-R394 IonicContact OE2-CZ 2.99Å; E134-R394 IonicContact OE2-NE 3.35Å; E134-R394 IonicContact OE2-NH2 2.96Å; E134-R394 PolarHBondContact OE2-NH2 2.77Å; H391-R394 HydrophobicContact CB-CB 4.18Å; H391-R394 PolarHBondContact O-N 3.3Å; R394-V396 PolarHBondContact O-N 3.29Å; R394-G397 WeakPolarHBondContact O-CA 3.41Å; R394-G397 PolarHBondContact O-N 3.4Å; R394-E423 PolarHBondContact N-OE1 2.85Å
395E95.5Very high94.5Very high12 Ų1252.8 Ų52.86%0.05627%0.268CS..Hα-helixtrans-58.8-34.6-174.1-164.875.1176.100112.8L74 Q75 R78 T388 A389 H391L74-E395 WeakPolarHBondContact CD2-OE1 3.32Å; Q75-E395 PolarHBondContact NE2-OE1 3.31Å; R78-E395 IonicContact CZ-OE1 3.38Å; R78-E395 IonicContact CZ-OE2 2.71Å; R78-E395 IonicContact NE-OE1 2.7Å; R78-E395 PolarHBondContact NE-OE1 3.08Å; R78-E395 VanDerWaalsContact NH2-CD 3.34Å; R78-E395 IonicContact NH2-OE1 2.7Å; R78-E395 PolarHBondContact NH2-OE1 2.88Å; R78-E395 IonicContact NH2-OE2 3.41Å; R78-E395 PolarHBondContact NH2-OE2 3.42Å; R78-E395 VanDerWaalsContact NH2-OE2 3.09Å; T388-E395 WeakPolarHBondContact CB-OE2 3.24Å; T388-E395 VanDerWaalsContact OG1-CD 3.28Å; T388-E395 PolarHBondContact OG1-OE1 3.42Å; T388-E395 PolarHBondContact OG1-OE2 3.05Å; A389-E395 HydrophobicContact CB-CB 4.43Å; A389-E395 HydrophobicContact CB-CG 3.81Å; H391-E395 WeakPolarHBondContact O-CB 3.18Å; H391-E395 PolarHBondContact O-N 2.71Å
396V97Very high94.7Very high85 Ų8547 Ų4752%0.51524%0.241SC..THydrogen-bonded Turntrans-91.2-2177.1-55.80000113.8H392 R394 V398H392-V396 WeakPolarHBondContact O-CG2 3.13Å; H392-V396 PolarHBondContact O-N 2.79Å; R394-V396 PolarHBondContact O-N 3.29Å; V396-V398 HydrophobicContact CG2-CG2 4.37Å
397G96Very high94.9Very high1 Ų150.3 Ų50.31%0.0126%0.255CS..THydrogen-bonded Turntrans92.329.6169.200000115.8I130 Q393 R394 Q399 Y400 Y401I130-G397 VanDerWaalsContact CD1-CA 3.44Å; Q393-G397 PolarHBondContact O-N 2.64Å; R394-G397 WeakPolarHBondContact O-CA 3.41Å; R394-G397 PolarHBondContact O-N 3.4Å; G397-Q399 VanDerWaalsContact C-N 3.28Å; G397-Q399 PolarHBondContact O-N 2.97Å; G397-Y400 WeakPolarHBondContact O-CB 3.33Å; G397-Y400 PolarHBondContact O-N 3.02Å; G397-Y400 VanDerWaalsContact O-N 3.08Å; G397-Y401 WeakPolarHBondContact O-CD2 3.33Å; G397-Y401 PolarHBondContact O-N 2.97Å; G397-Y401 VanDerWaalsContact O-N 3.14Å
398V96Very high94.9Very high34 Ų3453.5 Ų53.521%0.20628%0.275CS..Hα-helixtrans-54.4-46.9174173.90000110.7Q393 V396 Y400 Y401 D402 L418Q393-V398 HydrophobicContact CB-CB 4.26Å; Q393-V398 HydrophobicContact CB-CG2 3.92Å; Q393-V398 WeakPolarHBondContact O-CB 3.29Å; Q393-V398 VanDerWaalsContact O-CG2 3.31Å; Q393-V398 WeakPolarHBondContact O-CG2 3.34Å; Q393-V398 PolarHBondContact O-N 3.31Å; V396-V398 HydrophobicContact CG2-CG2 4.37Å; V398-Y400 VanDerWaalsContact C-N 3.26Å; V398-Y400 PolarHBondContact O-N 3.1Å; V398-Y401 PolarHBondContact O-N 3.38Å; V398-Y401 VanDerWaalsContact O-N 3.12Å; V398-D402 PolarHBondContact O-N 3.38Å; V398-L418 HydrophobicContact CG1-CB 4.08Å; V398-L418 HydrophobicContact CG1-CD1 4.44Å
399Q92.1Very high94.9Very high75 Ų7554.6 Ų54.635%0.3528%0.282SS..Hα-helixtrans-57.5-38.3176.7-164.9176.93.200113.3E134 G397 D402 C403 L418E134-Q399 PolarHBondContact OE1-OE1 3.18Å; G397-Q399 VanDerWaalsContact C-N 3.28Å; G397-Q399 PolarHBondContact O-N 2.97Å; Q399-D402 PolarHBondContact O-N 2.92Å; Q399-C403 PolarHBondContact O-N 2.72Å; Q399-L418 HydrophobicContact CB-CD2 3.87Å; Q399-L418 HydrophobicContact CG-CD2 4.03Å
400Y95.4Very high94.6Very high52 Ų5261.2 Ų61.220%0.20431%0.313CS..Hα-helixtrans-63.4-44.1178.5173.8-89.7000111.4Q129 L133 G397 V398 C403 I404Q129-Y400 HydrophobicContact CB-CD2 4.09Å; Q129-Y400 HydrophobicContact CB-CE2 3.74Å; Q129-Y400 HydrophobicContact CG-CE2 4.39Å; L133-Y400 HydrophobicContact CD2-CD2 4.2Å; G397-Y400 WeakPolarHBondContact O-CB 3.33Å; G397-Y400 PolarHBondContact O-N 3.02Å; G397-Y400 VanDerWaalsContact O-N 3.08Å; V398-Y400 VanDerWaalsContact C-N 3.26Å; V398-Y400 PolarHBondContact O-N 3.1Å; Y400-C403 PolarHBondContact O-N 3.45Å; Y400-I404 HydrophobicContact CD1-CD1 3.97Å; Y400-I404 HydrophobicContact CE1-CD1 3.3Å; Y400-I404 HydrophobicContact CE1-CG1 4.3Å; Y400-I404 PolarHBondContact O-N 3.44Å; Y400-I404 VanDerWaalsContact O-N 3.15Å
401Y96.9Very high94.2Very high125 Ų12563.5 Ų63.549%0.4934%0.339SS..Hα-helixtrans-72.7-32.6176.8-77.4-75.7000113.1R126 G397 V398 C403 I404 S405R126-Y401 PolarHBondContact NH2-OH 3.19Å; G397-Y401 WeakPolarHBondContact O-CD2 3.33Å; G397-Y401 PolarHBondContact O-N 2.97Å; G397-Y401 VanDerWaalsContact O-N 3.14Å; V398-Y401 PolarHBondContact O-N 3.38Å; V398-Y401 VanDerWaalsContact O-N 3.12Å; Y401-C403 VanDerWaalsContact C-N 3.34Å; Y401-I404 HydrophobicContact CD1-CD1 4.33Å; Y401-I404 PolarHBondContact O-N 3.13Å; Y401-S405 PolarHBondContact O-N 3.47Å
402D94.9Very high94Very high23 Ų2370.1 Ų70.112%0.12337%0.37CS..Hα-helixtrans-61.1-44171.1-79.2-9.3000111.3V398 Q399 I404 S405 Q406 V416 G417 L418V398-D402 PolarHBondContact O-N 3.38Å; Q399-D402 PolarHBondContact O-N 2.92Å; D402-I404 VanDerWaalsContact C-N 3.34Å; D402-I404 PolarHBondContact O-N 3.36Å; D402-S405 WeakPolarHBondContact O-CB 3.19Å; D402-S405 PolarHBondContact O-N 3.28Å; D402-Q406 WeakPolarHBondContact O-CG 3.42Å; D402-Q406 PolarHBondContact O-N 3.4Å; D402-V416 HydrophobicContact CB-CB 4.28Å; D402-V416 HydrophobicContact CB-CG1 4.09Å; D402-V416 WeakPolarHBondContact OD1-CA 3.49Å; D402-G417 VanDerWaalsContact CG-N 3.27Å; D402-G417 PolarHBondContact OD1-N 3.27Å; D402-G417 PolarHBondContact OD2-N 2.95Å; D402-L418 VanDerWaalsContact OD2-CB 3.32Å; D402-L418 WeakPolarHBondContact OD2-CB 3.23Å; D402-L418 PolarHBondContact OD2-N 2.85Å
403C93.9Very high93.6Very high50 Ų5066.7 Ų66.734%0.33836%0.356SS..Hα-helixtrans-60.6-44.1175.5-174.80000111.5L133 Q399 Y400 Y401 S405 Q406 V407L133-C403 HydrophobicContact CD1-CB 4.09Å; L133-C403 VanDerWaalsContact CD1-SG 3.58Å; L133-C403 HydrophobicContact CD2-CB 3.78Å; Q399-C403 PolarHBondContact O-N 2.72Å; Y400-C403 PolarHBondContact O-N 3.45Å; Y401-C403 VanDerWaalsContact C-N 3.34Å; C403-S405 VanDerWaalsContact C-N 3.35Å; C403-S405 PolarHBondContact O-N 3.49Å; C403-Q406 PolarHBondContact O-N 2.77Å; C403-V407 WeakPolarHBondContact O-CG2 3.45Å; C403-V407 PolarHBondContact O-N 2.97Å
404I96.1Very high93.2Very high64 Ų6469.2 Ų69.233%0.32838%0.381SS..Hα-helixtrans-57.5-48.4173.7-71.6174.9000110.9Y400 Y401 D402 Q406 V407 I408Y400-I404 HydrophobicContact CD1-CD1 3.97Å; Y400-I404 HydrophobicContact CE1-CD1 3.3Å; Y400-I404 HydrophobicContact CE1-CG1 4.3Å; Y400-I404 PolarHBondContact O-N 3.44Å; Y400-I404 VanDerWaalsContact O-N 3.15Å; Y401-I404 HydrophobicContact CD1-CD1 4.33Å; Y401-I404 PolarHBondContact O-N 3.13Å; D402-I404 VanDerWaalsContact C-N 3.34Å; D402-I404 PolarHBondContact O-N 3.36Å; I404-Q406 VanDerWaalsContact C-N 3.29Å; I404-Q406 PolarHBondContact O-N 3.48Å; I404-V407 PolarHBondContact O-N 2.84Å; I404-I408 HydrophobicContact CG2-CD1 3.62Å; I404-I408 HydrophobicContact CG2-CG1 4.37Å; I404-I408 VanDerWaalsContact O-CG1 3.31Å; I404-I408 WeakPolarHBondContact O-CG1 3.37Å; I404-I408 PolarHBondContact O-N 3.45Å
405S94.1Very high93.1Very high33 Ų3372.6 Ų72.623%0.23141%0.407CS..Hα-helixtrans-58.8-43.9178-175.90000111.1Y401 D402 C403 I408 T409 S413Y401-S405 PolarHBondContact O-N 3.47Å; D402-S405 WeakPolarHBondContact O-CB 3.19Å; D402-S405 PolarHBondContact O-N 3.28Å; C403-S405 VanDerWaalsContact C-N 3.35Å; C403-S405 PolarHBondContact O-N 3.49Å; S405-I408 PolarHBondContact O-N 2.88Å; S405-T409 WeakPolarHBondContact O-CB 3.12Å; S405-T409 VanDerWaalsContact O-CG2 3.28Å; S405-T409 WeakPolarHBondContact O-CG2 3.22Å; S405-T409 PolarHBondContact O-N 2.75Å; S405-T409 PolarHBondContact O-OG1 2.82Å; S405-S413 WeakPolarHBondContact OG-CB 3.36Å; S405-S413 PolarHBondContact OG-OG 2.86Å; S405-S413 VanDerWaalsContact OG-OG 3.08Å
406Q91.9Very high92.8Very high55 Ų5573.5 Ų73.526%0.25741%0.414SS..Hα-helixtrans-65.2-43.1179.5-71.6-659.400111.7D402 C403 I404 I408 T409 L410 G411 S413 V416D402-Q406 WeakPolarHBondContact O-CG 3.42Å; D402-Q406 PolarHBondContact O-N 3.4Å; C403-Q406 PolarHBondContact O-N 2.77Å; I404-Q406 VanDerWaalsContact C-N 3.29Å; I404-Q406 PolarHBondContact O-N 3.48Å; Q406-I408 PolarHBondContact O-N 3.12Å; Q406-T409 CarbonylContact O-C 3.1Å; Q406-T409 PolarHBondContact O-N 3.46Å; Q406-T409 PolarHBondContact O-OG1 2.86Å; Q406-L410 PolarHBondContact O-N 2.99Å; Q406-G411 PolarHBondContact O-N 2.84Å; Q406-G411 PolarHBondContact OE1-O 2.99Å; Q406-S413 PolarHBondContact NE2-O 3.03Å; Q406-V416 HydrophobicContact CG-CG1 3.79Å
407V94.8Very high92.2Very high102 Ų10271.6 Ų71.662%0.61841%0.411SS*.Hα-helixtrans-60.2-46.4175.2171.50000111.6C403 I404 T409 L410C403-V407 WeakPolarHBondContact O-CG2 3.45Å; C403-V407 PolarHBondContact O-N 2.97Å; I404-V407 PolarHBondContact O-N 2.84Å; V407-T409 VanDerWaalsContact C-N 3.31Å; V407-T409 PolarHBondContact O-N 2.91Å; V407-L410 PolarHBondContact O-N 3.03Å
408I94.6Very high91.7Very high133 Ų13372.9 Ų72.968%0.68242%0.417SS*.Hα-helixtrans-61.6-41179.9-70.3168.5000111.4I404 S405 Q406 L410I404-I408 HydrophobicContact CG2-CD1 3.62Å; I404-I408 HydrophobicContact CG2-CG1 4.37Å; I404-I408 VanDerWaalsContact O-CG1 3.31Å; I404-I408 WeakPolarHBondContact O-CG1 3.37Å; I404-I408 PolarHBondContact O-N 3.45Å; S405-I408 PolarHBondContact O-N 2.88Å; Q406-I408 PolarHBondContact O-N 3.12Å; I408-L410 VanDerWaalsContact C-N 3.32Å
409T93.1Very high90.8Very high48 Ų4875.5 Ų75.529%0.29443%0.433SS..THydrogen-bonded Turntrans-88.76.7-177.661.20000113.9S405 Q406 V407 G411 Q412 S413S405-T409 WeakPolarHBondContact O-CB 3.12Å; S405-T409 VanDerWaalsContact O-CG2 3.28Å; S405-T409 WeakPolarHBondContact O-CG2 3.22Å; S405-T409 PolarHBondContact O-N 2.75Å; S405-T409 PolarHBondContact O-OG1 2.82Å; Q406-T409 CarbonylContact O-C 3.1Å; Q406-T409 PolarHBondContact O-N 3.46Å; Q406-T409 PolarHBondContact O-OG1 2.86Å; V407-T409 VanDerWaalsContact C-N 3.31Å; V407-T409 PolarHBondContact O-N 2.91Å; T409-G411 PolarHBondContact O-N 3.23Å; T409-Q412 WeakPolarHBondContact O-CB 3.28Å; T409-Q412 PolarHBondContact O-N 3.47Å; T409-Q412 VanDerWaalsContact O-N 3.16Å; T409-Q412 PolarHBondContact OG1-N 2.97Å; T409-S413 WeakPolarHBondContact OG1-CB 3.44Å; T409-S413 PolarHBondContact OG1-N 2.89Å
410L90.2Very high90.3Very high157 Ų15779.5 Ų79.582%0.82246%0.457SS*.THydrogen-bonded Turntrans53.639.6-174.8-55.1175.1000113.1Q406 V407 I408Q406-L410 PolarHBondContact O-N 2.99Å; V407-L410 PolarHBondContact O-N 3.03Å; I408-L410 VanDerWaalsContact C-N 3.32Å
411G87.4Confident89.9Confident54 Ų5478 Ų7856%0.55745%0.454SS*.THydrogen-bonded Turntrans81.68.6178.400000114.8Q406 T409Q406-G411 PolarHBondContact O-N 2.84Å; Q406-G411 PolarHBondContact OE1-O 2.99Å; T409-G411 PolarHBondContact O-N 3.23Å
412Q90.1Very high89.4Confident162 Ų16276.3 Ų76.376%0.75746%0.457SS*.  trans-100.41-174.1-58.8-165.2-22.700114.2T409 S414T409-Q412 WeakPolarHBondContact O-CB 3.28Å; T409-Q412 PolarHBondContact O-N 3.47Å; T409-Q412 VanDerWaalsContact O-N 3.16Å; T409-Q412 PolarHBondContact OG1-N 2.97Å; Q412-S414 PolarHBondContact O-N 3.47Å
413S85.7Confident89.2Confident17 Ų1775.7 Ų75.712%0.11945%0.453CS..  trans-64.4122.3-179.6-171.80000110.5S405 Q406 T409 T415S405-S413 WeakPolarHBondContact OG-CB 3.36Å; S405-S413 PolarHBondContact OG-OG 2.86Å; S405-S413 VanDerWaalsContact OG-OG 3.08Å; Q406-S413 PolarHBondContact NE2-O 3.03Å; T409-S413 WeakPolarHBondContact OG1-CB 3.44Å; T409-S413 PolarHBondContact OG1-N 2.89Å; S413-T415 PolarHBondContact OG-N 3.41Å; S413-T415 PolarHBondContact OG-OG1 2.84Å
414S88.5Confident88.7Confident122 Ų12276.9 Ų76.985%0.85346%0.459SS*.SBendtrans-93.52.8175-48.50000112.6Q412Q412-S414 PolarHBondContact O-N 3.47Å
415T91.5Very high88.2Confident120 Ų12079.8 Ų79.874%0.73648%0.475SS*.  trans-122.536-173.963.30000111.7S413S413-T415 PolarHBondContact OG-N 3.41Å; S413-T415 PolarHBondContact OG-OG1 2.84Å
416V88.6Confident87.7Confident32 Ų3284.5 Ų84.519%0.19449%0.494CS..  trans-68.6142.6168.8-73.60000109.8D402 Q406 V419D402-V416 HydrophobicContact CB-CB 4.28Å; D402-V416 HydrophobicContact CB-CG1 4.09Å; D402-V416 WeakPolarHBondContact OD1-CA 3.49Å; Q406-V416 HydrophobicContact CG-CG1 3.79Å; V416-V419 HydrophobicContact CG2-CB 3.9Å; V416-V419 HydrophobicContact CG2-CG2 3.96Å
417G85Confident87.2Confident44 Ų4483.8 Ų83.845%0.45449%0.49SS..SBendtrans-91.1-29.8-169.100000115.2D402D402-G417 VanDerWaalsContact CG-N 3.27Å; D402-G417 PolarHBondContact OD1-N 3.27Å; D402-G417 PolarHBondContact OD2-N 2.95Å
418L84.1Confident85.9Confident28 Ų2883.9 Ų83.915%0.14749%0.49CS..SBendtrans-84.8-37.5-174.7-16570.3000112.7Q393 V398 Q399 D402 D420 S421 T424Q393-L418 HydrophobicContact CB-CD1 4.15Å; V398-L418 HydrophobicContact CG1-CB 4.08Å; V398-L418 HydrophobicContact CG1-CD1 4.44Å; Q399-L418 HydrophobicContact CB-CD2 3.87Å; Q399-L418 HydrophobicContact CG-CD2 4.03Å; D402-L418 VanDerWaalsContact OD2-CB 3.32Å; D402-L418 WeakPolarHBondContact OD2-CB 3.23Å; D402-L418 PolarHBondContact OD2-N 2.85Å; L418-D420 PolarHBondContact O-N 3.4Å; L418-S421 VanDerWaalsContact O-CB 3.28Å; L418-S421 WeakPolarHBondContact O-CB 3.28Å; L418-S421 PolarHBondContact O-N 3.23Å; L418-S421 VanDerWaalsContact O-N 3.11Å; L418-S421 PolarHBondContact O-OG 2.94Å; L418-T424 PolarHBondContact O-OG1 2.86Å
419V77.8Confident83.8Confident89 Ų8982.9 Ų82.954%0.53949%0.486SS..THydrogen-bonded Turntrans-63.4130173.4-1790000107.5V416 S421V416-V419 HydrophobicContact CG2-CB 3.9Å; V416-V419 HydrophobicContact CG2-CG2 3.96Å; V419-S421 PolarHBondContact O-N 3.05Å
420D81.8Confident81.1Confident160 Ų16089.7 Ų89.786%0.85651%0.514SS*.THydrogen-bonded Turntrans64.816.4-173.9-50.1-35.4000115.7L418L418-D420 PolarHBondContact O-N 3.4Å
421S87.8Confident78Confident21 Ų2191.8 Ų91.815%0.14751%0.511CS..  trans-75.5154.3170.975.10000112.2L418 V419 E423 T424 D425L418-S421 VanDerWaalsContact O-CB 3.28Å; L418-S421 WeakPolarHBondContact O-CB 3.28Å; L418-S421 PolarHBondContact O-N 3.23Å; L418-S421 VanDerWaalsContact O-N 3.11Å; L418-S421 PolarHBondContact O-OG 2.94Å; V419-S421 PolarHBondContact O-N 3.05Å; S421-E423 PolarHBondContact O-N 2.87Å; S421-T424 PolarHBondContact O-N 3.19Å; S421-T424 PolarHBondContact OG-N 2.76Å; S421-T424 PolarHBondContact OG-OG1 2.8Å; S421-D425 PolarHBondContact O-N 3.42Å; S421-D425 VanDerWaalsContact O-N 3.14Å
422T86.6Confident74.9Confident89 Ų8995.8 Ų95.855%0.54652%0.524SS..Hα-helixtrans-62.7-25172.754.30000112.5D425 Q426T422-D425 PolarHBondContact O-N 3.39Å; T422-Q426 VanDerWaalsContact O-CB 3.28Å; T422-Q426 WeakPolarHBondContact O-CB 3.39Å; T422-Q426 WeakPolarHBondContact O-CG 3.45Å; T422-Q426 PolarHBondContact O-N 3.48Å
423E88.9Confident71.8Confident10 Ų1094.6 Ų94.65%0.04753%0.529CS..Hα-helixtrans-64.6-48.5173.7-176.6167.2108.500110.5H391 H392 Q393 R394 S421 D425 F427H391-E423 VanDerWaalsContact CA-CD 3.5Å; H391-E423 VanDerWaalsContact CA-OE2 3.26Å; H391-E423 WeakPolarHBondContact CA-OE2 3.35Å; H391-E423 HydrophobicContact CB-CG 4.44Å; H392-E423 IonicContact CE1-OE2 2.68Å; H392-E423 IonicContact CG-OE2 3.64Å; H392-E423 PolarHBondContact N-OE2 3.28Å; H392-E423 IonicContact ND1-OE2 3Å; Q393-E423 WeakPolarHBondContact CB-OE1 3.32Å; Q393-E423 WeakPolarHBondContact CB-OE2 3.34Å; Q393-E423 HydrophobicContact CG-CB 4.15Å; Q393-E423 WeakPolarHBondContact CG-OE2 3.47Å; Q393-E423 PolarHBondContact N-OE2 2.93Å; R394-E423 PolarHBondContact N-OE1 2.85Å; S421-E423 PolarHBondContact O-N 2.87Å; E423-D425 VanDerWaalsContact C-N 3.29Å; E423-D425 PolarHBondContact O-N 2.83Å; E423-F427 HydrophobicContact CG-CB 4.48Å; E423-F427 WeakPolarHBondContact O-CA 3.47Å; E423-F427 WeakPolarHBondContact O-CB 3.43Å; E423-F427 PolarHBondContact O-N 3.39Å
424T83.5Confident68.8Low75 Ų75102.6 Ų102.646%0.4656%0.564SS.*Hα-helixtrans-62.9-34.2176.8-570000112.6L418 S421 V428L418-T424 PolarHBondContact O-OG1 2.86Å; S421-T424 PolarHBondContact O-N 3.19Å; S421-T424 PolarHBondContact OG-N 2.76Å; S421-T424 PolarHBondContact OG-OG1 2.8Å; T424-V428 WeakPolarHBondContact O-CG2 3.46Å
425D85.5Confident65.7Low124 Ų124101 Ų10166%0.66356%0.559SS**Hα-helixtrans-79.7-44.3-178.8-175.441.3000113S421 T422 E423S421-D425 PolarHBondContact O-N 3.42Å; S421-D425 VanDerWaalsContact O-N 3.14Å; T422-D425 PolarHBondContact O-N 3.39Å; E423-D425 VanDerWaalsContact C-N 3.29Å; E423-D425 PolarHBondContact O-N 2.83Å
426Q83.7Confident62.4Low133 Ų133107.4 Ų107.462%0.62157%0.569SS**Hα-helixtrans-103-16-167.2-58.3176.816.900114T422T422-Q426 VanDerWaalsContact O-CB 3.28Å; T422-Q426 WeakPolarHBondContact O-CB 3.39Å; T422-Q426 WeakPolarHBondContact O-CG 3.45Å; T422-Q426 PolarHBondContact O-N 3.48Å
427F82.2Confident59.3Low40 Ų40109.2 Ų109.218%0.17559%0.594CS.*  trans-120.856.6-175.7-59.6-103.2000110.3L380 I390 H391 E423L380-F427 HydrophobicContact CD2-CD1 4.49Å; I390-F427 HydrophobicContact CD1-CD1 4.38Å; I390-F427 HydrophobicContact CD1-CE1 3.89Å; I390-F427 HydrophobicContact CG1-CD1 3.94Å; I390-F427 HydrophobicContact CG1-CE1 3.97Å; H391-F427 PolarHBondContact CE1-O 3.47Å; E423-F427 HydrophobicContact CG-CB 4.48Å; E423-F427 WeakPolarHBondContact O-CA 3.47Å; E423-F427 WeakPolarHBondContact O-CB 3.43Å; E423-F427 PolarHBondContact O-N 3.39Å
428V67.8Low56.4Low103 Ų103114.5 Ų114.562%0.62461%0.611SS**  trans-85.9127.5178.4-165.60000110T424 H430T424-V428 WeakPolarHBondContact O-CG2 3.46Å; V428-H430 PolarHBondContact O-N 2.85Å
429L50.3Low53.5Low113 Ų113121.5 Ų121.559%0.59264%0.642SS**  trans-48.7114.1176.7-109.1131.6000111.1R431L429-R431 HydrophobicContact CD2-CG 4.31Å; L429-R431 PolarHBondContact O-N 3.38Å
430H35.5Very low51.1Low190 Ų190121.6 Ų121.688%0.8865%0.647SS**  trans-6876.1169.5-91-10.6000110.5V428V428-H430 PolarHBondContact O-N 2.85Å
431R25.3Very low48.4Very low202 Ų202118.9 Ų118.976%0.76265%0.647SS**  trans-105.5102.4158.7-73-170.6-173.2-171.54.2108.5L429L429-R431 HydrophobicContact CD2-CG 4.31Å; L429-R431 PolarHBondContact O-N 3.38Å
432T22.7Very low45.5Very low137 Ų137125.9 Ų125.984%0.8468%0.677SS**  trans65.697.1167.790000115.5
433T25.1Very low42.8Very low138 Ų138125.3 Ų125.385%0.84768%0.681SS**  trans-154.3118.8145.1-40000112.3
434Q22.4Very low40.3Very low185 Ų185128.6 Ų128.686%0.86470%0.702SS**  trans-60143.5161.3-72.3171.7-26.300110.6
435A23.4Very low38.1Very low89 Ų89125.6 Ų125.674%0.73669%0.686SS**  trans42.893.9146.600000117.4
436R22.7Very low36.3Very low254 Ų254120.3 Ų120.396%0.95866%0.657SS**  trans-174.9124.1132.8-101.6159.7-168.5-154.63.9111.2
437G23.3Very low34.5Very low70 Ų70122 Ų12272%0.72266%0.657SS**  trans96.760.6155.300000117.1H439G437-H439 VanDerWaalsContact C-N 3.35Å; G437-H439 PolarHBondContact O-N 2.95Å; G437-H439 VanDerWaalsContact O-N 3.12Å
438I24Very low33.2Very low155 Ų155121 Ų12180%0.79565%0.654SS**  trans-7792.2159.8-58.1174.1000107.2
439H24Very low33.1Very low175 Ų175119.4 Ų119.481%0.8166%0.659SS**  trans-103.6108.5159.6-88-69.5000108.2G437G437-H439 VanDerWaalsContact C-N 3.35Å; G437-H439 PolarHBondContact O-N 2.95Å; G437-H439 VanDerWaalsContact O-N 3.12Å
440S25.8Very low34.6Very low91 Ų91118.4 Ų118.464%0.63665%0.65SS**  trans46.292.316562.40000117.5Q442S440-Q442 VanDerWaalsContact C-N 3.28Å; S440-Q442 PolarHBondContact O-N 3.24Å
441A26.1Very low37Very low103 Ų103109.3 Ų109.385%0.85161%0.608SS**  trans-66.194.6145.800000107.4A443A441-A443 PolarHBondContact O-N 2.89Å
442Q26.6Very low39.9Very low168 Ų168100.1 Ų100.179%0.78558%0.575SS**  trans-72116.6163.7-82.7-174.7-21.200107.4S440 V444S440-Q442 VanDerWaalsContact C-N 3.28Å; S440-Q442 PolarHBondContact O-N 3.24Å; Q442-V444 PolarHBondContact O-N 3.25Å; Q442-V444 VanDerWaalsContact O-N 3.07Å
443A31.1Very low42.9Very low77 Ų7793.7 Ų93.764%0.63654%0.535SS*.  trans-50.3109.3174.100000110.7A441 T454A441-A443 PolarHBondContact O-N 2.89Å; A443-T454 HydrophobicContact CB-CG2 4.18Å
444V34.5Very low45.5Very low79 Ų7989.3 Ų89.348%0.47951%0.508SS..  trans-90104.5165.4-170.20000104.6E370 Q442E370-V444 HydrophobicContact CB-CG1 3.86Å; E370-V444 HydrophobicContact CG-CG1 3.85Å; Q442-V444 PolarHBondContact O-N 3.25Å; Q442-V444 VanDerWaalsContact O-N 3.07Å
445G39.2Very low47.9Very low12 Ų1282.3 Ų82.312%0.12448%0.476CS..  trans-105.3113.9-162.500000113.7E370 R447 A452 F453E370-G445 VanDerWaalsContact OE1-CA 3.29Å; E370-G445 WeakPolarHBondContact OE1-CA 3.3Å; E370-G445 PolarHBondContact OE1-N 3.5Å; E370-G445 VanDerWaalsContact OE1-O 3.13Å; G445-R447 VanDerWaalsContact O-CG 3.25Å; G445-R447 WeakPolarHBondContact O-CG 3.42Å; G445-R447 PolarHBondContact O-N 3.22Å; G445-A452 WeakPolarHBondContact O-CB 3Å; G445-F453 CarbonylContact C-O 3.45Å; G445-F453 WeakPolarHBondContact CA-O 3.28Å
446F46.4Very low49.7Very low12 Ų1279.6 Ų79.65%0.05345%0.451CS..  trans-62.291.6-172.8-74.7-104.6000111.8F367 E370 N374 N448 A452 F453 L455 P456F367-F446 HydrophobicContact CE1-CB 4.29Å; E370-F446 VanDerWaalsContact CD-CA 3.43Å; E370-F446 WeakPolarHBondContact OE1-CA 3.49Å; E370-F446 PolarHBondContact OE1-N 2.92Å; E370-F446 WeakPolarHBondContact OE2-CA 3.34Å; N374-F446 HydrophobicContact CB-CE1 3.77Å; N374-F446 HydrophobicContact CB-CE2 4.28Å; N374-F446 HydrophobicContact CB-CZ 3.38Å; N374-F446 WeakPolarHBondContact ND2-CE1 3.42Å; N374-F446 WeakPolarHBondContact ND2-CE2 3.42Å; N374-F446 WeakPolarHBondContact ND2-CZ 3.45Å; N374-F446 WeakPolarHBondContact OD1-CE2 3.45Å; N374-F446 WeakPolarHBondContact OD1-CZ 3.44Å; F446-N448 PolarHBondContact O-N 2.94Å; F446-A452 VanDerWaalsContact O-CA 3.26Å; F446-A452 WeakPolarHBondContact O-CA 3.48Å; F446-F453 HydrophobicContact CB-CB 4.06Å; F446-F453 HydrophobicContact CB-CD2 3.97Å; F446-F453 HydrophobicContact CD2-CB 4.27Å; F446-F453 WeakPolarHBondContact CD2-O 3.49Å; F446-F453 PolarHBondContact N-O 2.83Å; F446-F453 PolarHBondContact O-N 3.26Å; F446-L455 VanDerWaalsContact CE2-C 3.45Å; F446-P456 HydrophobicContact CE1-CB 4.28Å; F446-P456 HydrophobicContact CE2-CB 4.06Å; F446-P456 VanDerWaalsContact CE2-N 3.29Å; F446-P456 HydrophobicContact CZ-CB 3.5Å; F446-P456 VanDerWaalsContact CZ-CB 3.5Å; F446-P456 HydrophobicContact CZ-CG 4.3Å
447R45.8Very low51.5Low169 Ų16968.9 Ų68.964%0.63842%0.415SS*.  trans-7288.8-176-63.4-169.4176.3-165.9-4.5119.4F367 G445 G449 L451 A452F367-R447 VanDerWaalsContact CD1-C 3.44Å; F367-R447 HydrophobicContact CD1-CB 3.87Å; F367-R447 WeakPolarHBondContact CD1-O 3.46Å; F367-R447 VanDerWaalsContact CE1-CA 3.43Å; F367-R447 HydrophobicContact CE1-CB 4.22Å; F367-R447 WeakPolarHBondContact CE1-O 3.41Å; G445-R447 VanDerWaalsContact O-CG 3.25Å; G445-R447 WeakPolarHBondContact O-CG 3.42Å; G445-R447 PolarHBondContact O-N 3.22Å; R447-G449 PolarHBondContact O-N 3.07Å; R447-L451 CarbonylContact C-O 3.56Å; R447-L451 WeakPolarHBondContact CA-O 3.16Å; R447-A452 HydrophobicContact CG-CB 4.26Å
448N54.9Low53.5Low18 Ų1869.3 Ų69.310%0.09640%0.403CS..BIsolated β-bridgetrans-81.193.3160.5-173.823.7000108.8M366 F446 K450 L451 D465 M468M366-N448 WeakPolarHBondContact CE-OD1 3.05Å; F446-N448 PolarHBondContact O-N 2.94Å; N448-K450 PolarHBondContact O-N 3.46Å; N448-L451 PolarHBondContact N-O 2.8Å; N448-L451 PolarHBondContact O-N 3.25Å; N448-D465 PolarHBondContact ND2-O 3.27Å; N448-M468 HydrophobicContact CB-CB 4.45Å; N448-M468 HydrophobicContact CB-CE 3.93Å; N448-M468 HydrophobicContact CB-SD 3.71Å; N448-M468 WeakPolarHBondContact ND2-CE 3.19Å
449G65.7Low56.1Low71 Ų7163.2 Ų63.273%0.73237%0.372SS*.THydrogen-bonded Turntrans68.2-59.4179.500000114.5R447R447-G449 PolarHBondContact O-N 3.07Å
450K81.7Confident58.7Low91 Ų9158.2 Ų58.240%0.39635%0.352SS..THydrogen-bonded Turntrans-138.8-28.4178.2-73.8-175.6171.7178.30114.4N448 V472 E476 I618N448-K450 PolarHBondContact O-N 3.46Å; K450-V472 HydrophobicContact CB-CG1 4.07Å; K450-V472 HydrophobicContact CB-CG2 4.23Å; K450-V472 HydrophobicContact CD-CG1 4Å; K450-E476 VanDerWaalsContact CD-OE1 3.22Å; K450-E476 WeakPolarHBondContact CD-OE1 3.37Å; K450-E476 WeakPolarHBondContact CE-OE1 3.48Å; K450-E476 IonicContact NZ-OE1 3.63Å; K450-E476 PolarHBondContact NZ-OE1 3.47Å; K450-I618 HydrophobicContact CB-CG2 4.34Å
451L86.9Confident61.5Low0 Ų056.4 Ų56.40%034%0.336CS..EExtended strand (participates in β ladder)trans-83.3124.6-179.2-179.462.5000110.3R447 N448 F453 M468 L471 V472 A616 S617 I618R447-L451 CarbonylContact C-O 3.56Å; R447-L451 WeakPolarHBondContact CA-O 3.16Å; N448-L451 PolarHBondContact N-O 2.8Å; N448-L451 PolarHBondContact O-N 3.25Å; L451-F453 HydrophobicContact CD1-CE1 4.39Å; L451-F453 HydrophobicContact CD2-CE1 3.91Å; L451-F453 HydrophobicContact CD2-CE2 4.3Å; L451-F453 HydrophobicContact CD2-CZ 3.48Å; L451-F453 VanDerWaalsContact CD2-CZ 3.48Å; L451-F453 HydrophobicContact CG-CE1 4.04Å; L451-F453 HydrophobicContact CG-CE2 4.36Å; L451-F453 HydrophobicContact CG-CZ 3.81Å; L451-M468 HydrophobicContact CD2-CB 3.88Å; L451-M468 HydrophobicContact CD2-CG 3.94Å; L451-L471 HydrophobicContact CD2-CB 4.22Å; L451-L471 HydrophobicContact CD2-CD1 4.13Å; L451-V472 HydrophobicContact CB-CG2 3.64Å; L451-A616 HydrophobicContact CD1-CB 4.2Å; L451-S617 CarbonylContact C-O 3.58Å; L451-I618 HydrophobicContact CB-CG1 4.23Å; L451-I618 HydrophobicContact CD1-CD1 3.95Å; L451-I618 HydrophobicContact CD1-CG1 3.59Å
452A85.7Confident64.7Low9 Ų951.5 Ų51.57%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-119128.3-175.500000111G445 F446 R447 A616 S617G445-A452 WeakPolarHBondContact O-CB 3Å; F446-A452 VanDerWaalsContact O-CA 3.26Å; F446-A452 WeakPolarHBondContact O-CA 3.48Å; R447-A452 HydrophobicContact CG-CB 4.26Å; A452-A616 CarbonylContact O-C 3.43Å; A452-S617 WeakPolarHBondContact CB-OG 3.35Å; A452-S617 PolarHBondContact N-O 2.84Å; A452-S617 PolarHBondContact O-N 2.93Å; A452-S617 PolarHBondContact O-OG 2.74Å; A452-S617 VanDerWaalsContact O-OG 3.13Å
453F86Confident67.8Low2 Ų243.7 Ų43.71%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-103.8142.8176.2-52.8-74000114.4G445 F446 L451 L455 L463 M468 W564 H615 A616 F628G445-F453 CarbonylContact C-O 3.45Å; G445-F453 WeakPolarHBondContact CA-O 3.28Å; F446-F453 HydrophobicContact CB-CB 4.06Å; F446-F453 HydrophobicContact CB-CD2 3.97Å; F446-F453 HydrophobicContact CD2-CB 4.27Å; F446-F453 WeakPolarHBondContact CD2-O 3.49Å; F446-F453 PolarHBondContact N-O 2.83Å; F446-F453 PolarHBondContact O-N 3.26Å; L451-F453 HydrophobicContact CD1-CE1 4.39Å; L451-F453 HydrophobicContact CD2-CE1 3.91Å; L451-F453 HydrophobicContact CD2-CE2 4.3Å; L451-F453 HydrophobicContact CD2-CZ 3.48Å; L451-F453 VanDerWaalsContact CD2-CZ 3.48Å; L451-F453 HydrophobicContact CG-CE1 4.04Å; L451-F453 HydrophobicContact CG-CE2 4.36Å; L451-F453 HydrophobicContact CG-CZ 3.81Å; F453-L455 VanDerWaalsContact C-N 3.34Å; F453-L455 WeakPolarHBondContact CB-O 3.46Å; F453-L463 HydrophobicContact CE1-CD2 4.47Å; F453-L463 HydrophobicContact CZ-CD1 4.48Å; F453-L463 HydrophobicContact CZ-CD2 4.13Å; F453-M468 HydrophobicContact CE2-CG 4.38Å; F453-M468 HydrophobicContact CE2-SD 3.53Å; F453-M468 VanDerWaalsContact CE2-SD 3.53Å; F453-M468 HydrophobicContact CZ-CG 4.12Å; F453-M468 HydrophobicContact CZ-SD 3.88Å; F453-W564 AromaticContact CD1-CH2 3.47Å; F453-W564 HydrophobicContact CD1-CH2 3.47Å; F453-W564 VanDerWaalsContact CD1-CH2 3.47Å; F453-W564 AromaticContact CD1-CZ2 3.83Å; F453-W564 HydrophobicContact CD1-CZ2 3.83Å; F453-W564 HydrophobicContact CD1-CZ3 4.47Å; F453-W564 AromaticContact CE1-CH2 3.69Å; F453-W564 HydrophobicContact CE1-CH2 3.69Å; F453-W564 HydrophobicContact CE1-CZ2 4.24Å; F453-W564 HydrophobicContact CG-CH2 4.37Å; F453-W564 HydrophobicContact CG-CZ2 4.31Å; F453-H615 CarbonylContact C-O 3.54Å; F453-H615 WeakPolarHBondContact CA-O 3.44Å; F453-H615 WeakPolarHBondContact CB-O 3.26Å; F453-A616 HydrophobicContact CD1-CB 3.89Å; F453-A616 HydrophobicContact CE1-CB 3.91Å; F453-F628 HydrophobicContact CE1-CE2 4.23Å
454T79.6Confident70.4Confident46 Ų4642.2 Ų42.228%0.28224%0.242SC..SBendtrans-83.6-12.5174.7660000113.7A443 H615A443-T454 HydrophobicContact CB-CG2 4.18Å; T454-H615 PolarHBondContact N-O 2.82Å; T454-H615 WeakPolarHBondContact OG1-CA 3.43Å; T454-H615 PolarHBondContact OG1-ND1 2.76Å
455L72.7Confident72.9Confident37 Ų3741.7 Ų41.719%0.19424%0.237CC..SBendtrans-129.4154.7174.6-68.9179.7000109.4F446 F453 W564 H615F446-L455 VanDerWaalsContact CE2-C 3.45Å; F453-L455 VanDerWaalsContact C-N 3.34Å; F453-L455 WeakPolarHBondContact CB-O 3.46Å; L455-W564 HydrophobicContact CB-CG 4.33Å; L455-W564 HydrophobicContact CD1-CB 3.77Å; L455-W564 HydrophobicContact CD1-CG 4.06Å; L455-H615 WeakPolarHBondContact CD1-CE1 3.43Å; L455-H615 WeakPolarHBondContact CD1-ND1 3.25Å
456P60.3Low75.2Confident32 Ų3244.4 Ų44.421%0.20825%0.254CS..  trans-56146179.114.6-26000113.1F446 V458 W564F446-P456 HydrophobicContact CE1-CB 4.28Å; F446-P456 HydrophobicContact CE2-CB 4.06Å; F446-P456 VanDerWaalsContact CE2-N 3.29Å; F446-P456 HydrophobicContact CZ-CB 3.5Å; F446-P456 VanDerWaalsContact CZ-CB 3.5Å; F446-P456 HydrophobicContact CZ-CG 4.3Å; P456-V458 VanDerWaalsContact C-N 3.34Å; P456-V458 PolarHBondContact O-N 3.2Å; P456-W564 PolarHBondContact O-NE1 3.29Å
457P60.8Low77.5Confident29 Ų2943.9 Ų43.919%0.18825%0.252CS..  trans-64.299.8164.524.7-28.7000108.2D459 L463P457-D459 PolarHBondContact O-N 2.97Å; P457-L463 HydrophobicContact CB-CB 4.07Å; P457-L463 HydrophobicContact CB-CD1 3.6Å; P457-L463 HydrophobicContact CB-CG 4.5Å
458V65.6Low79.7Confident79 Ų7936.4 Ų36.448%0.47923%0.225SC..SBendtrans-75.6-10.9-178.3-780000113P456 I568P456-V458 VanDerWaalsContact C-N 3.34Å; P456-V458 PolarHBondContact O-N 3.2Å; V458-I568 HydrophobicContact CG2-CB 4.16Å; V458-I568 HydrophobicContact CG2-CG2 3.94Å
459D78.4Confident81.5Confident28 Ų2839 Ų3915%0.1524%0.239CC..  trans-140.7100.8-179.9-165-48.9000111.9P457 V461 I462 L463 I568 R572P457-D459 PolarHBondContact O-N 2.97Å; D459-V461 PolarHBondContact O-N 2.82Å; D459-V461 WeakPolarHBondContact OD1-CA 3.44Å; D459-V461 VanDerWaalsContact OD1-CB 3.22Å; D459-V461 WeakPolarHBondContact OD1-CB 3.31Å; D459-V461 PolarHBondContact OD1-N 2.84Å; D459-I462 HydrophobicContact CB-CB 4.24Å; D459-I462 HydrophobicContact CB-CG1 4.31Å; D459-I462 PolarHBondContact O-N 3.24Å; D459-I462 PolarHBondContact OD1-N 2.99Å; D459-L463 PolarHBondContact O-N 3.21Å; D459-I568 HydrophobicContact CB-CG2 3.63Å; D459-R572 IonicContact OD1-NH1 3.54Å; D459-R572 WeakPolarHBondContact OD2-CB 3.48Å; D459-R572 VanDerWaalsContact OD2-CD 3.27Å; D459-R572 WeakPolarHBondContact OD2-CD 3.22Å; D459-R572 VanDerWaalsContact OD2-CG 3.28Å; D459-R572 WeakPolarHBondContact OD2-CG 3.4Å; D459-R572 IonicContact OD2-NH1 3.42Å
460D78.6Confident83Confident70 Ų7035.7 Ų35.737%0.37420%0.204SC..THydrogen-bonded Turntrans-65.7-14.1178.2-68.1-37.6000113.4K359 Y363 T464K359-D460 IonicContact NZ-OD1 3.89Å; K359-D460 PolarHBondContact NZ-OD1 3.31Å; K359-D460 IonicContact NZ-OD2 2.74Å; K359-D460 PolarHBondContact NZ-OD2 2.81Å; Y363-D460 PolarHBondContact OH-OD1 3.49Å; Y363-D460 VanDerWaalsContact OH-OD1 3.12Å; D460-T464 WeakPolarHBondContact O-CG2 3.28Å
461V84.9Confident83.7Confident52 Ų5231.3 Ų31.332%0.31519%0.185SC..THydrogen-bonded Turntrans-83.6-33.4175.6178.50000110.6D459 T464 R572 Y575 H636D459-V461 PolarHBondContact O-N 2.82Å; D459-V461 WeakPolarHBondContact OD1-CA 3.44Å; D459-V461 VanDerWaalsContact OD1-CB 3.22Å; D459-V461 WeakPolarHBondContact OD1-CB 3.31Å; D459-V461 PolarHBondContact OD1-N 2.84Å; V461-T464 WeakPolarHBondContact O-CG2 3.39Å; V461-R572 VanDerWaalsContact CB-NH1 3.28Å; V461-Y575 HydrophobicContact CG1-CD1 4.31Å; V461-Y575 HydrophobicContact CG1-CD2 4.25Å; V461-Y575 HydrophobicContact CG1-CE1 3.82Å; V461-Y575 HydrophobicContact CG1-CE2 3.75Å; V461-H636 PolarHBondContact O-CE1 3.01Å
462I94.3Very high84.1Confident0 Ų032 Ų320%019%0.189CC..THydrogen-bonded Turntrans-86.4-45.3177.3-60.1-53.4000111.3D459 T464 I568 Q571 R572 Y575 L632 H636D459-I462 HydrophobicContact CB-CB 4.24Å; D459-I462 HydrophobicContact CB-CG1 4.31Å; D459-I462 PolarHBondContact O-N 3.24Å; D459-I462 PolarHBondContact OD1-N 2.99Å; I462-T464 VanDerWaalsContact C-N 3.31Å; I462-T464 PolarHBondContact O-N 3.36Å; I462-I568 HydrophobicContact CB-CG2 4.44Å; I462-I568 HydrophobicContact CG2-CG2 4.48Å; I462-Q571 HydrophobicContact CD1-CB 4.21Å; I462-Q571 HydrophobicContact CG1-CB 4.22Å; I462-Q571 HydrophobicContact CG2-CB 3.68Å; I462-Q571 HydrophobicContact CG2-CG 4.29Å; I462-R572 HydrophobicContact CD1-CB 4.44Å; I462-R572 HydrophobicContact CG1-CB 4.01Å; I462-Y575 HydrophobicContact CD1-CD2 4.08Å; I462-Y575 HydrophobicContact CD1-CG 4.13Å; I462-L632 HydrophobicContact CG2-CD1 4.03Å; I462-L632 HydrophobicContact CG2-CD2 4.28Å; I462-H636 PolarHBondContact O-NE2 2.91Å
463L91.3Very high84.7Confident5 Ų534.4 Ų34.43%0.02620%0.199CC..SBendtrans-9655.6-177.7-61.2173.3000111.1F453 P457 D459 M468 W564 I568 F628 L632F453-L463 HydrophobicContact CE1-CD2 4.47Å; F453-L463 HydrophobicContact CZ-CD1 4.48Å; F453-L463 HydrophobicContact CZ-CD2 4.13Å; P457-L463 HydrophobicContact CB-CB 4.07Å; P457-L463 HydrophobicContact CB-CD1 3.6Å; P457-L463 HydrophobicContact CB-CG 4.5Å; D459-L463 PolarHBondContact O-N 3.21Å; L463-M468 WeakPolarHBondContact O-CE 3.26Å; L463-W564 HydrophobicContact CD1-CH2 4.26Å; L463-W564 HydrophobicContact CD1-CZ2 3.68Å; L463-I568 HydrophobicContact CD1-CD1 3.89Å; L463-I568 HydrophobicContact CD1-CG1 4.32Å; L463-I568 HydrophobicContact CD2-CD1 3.92Å; L463-I568 HydrophobicContact CG-CD1 4.07Å; L463-F628 HydrophobicContact CD2-CZ 4.33Å; L463-L632 HydrophobicContact CD2-CD1 4.2Å; L463-L632 HydrophobicContact CD2-CD2 4.24Å
464T85.5Confident85.3Confident45 Ų4534.3 Ų34.328%0.27620%0.198SC..  trans-70.9153.5174.267.20000111.6D460 V461 I462 S466 A467 M468D460-T464 WeakPolarHBondContact O-CG2 3.28Å; V461-T464 WeakPolarHBondContact O-CG2 3.39Å; I462-T464 VanDerWaalsContact C-N 3.31Å; I462-T464 PolarHBondContact O-N 3.36Å; T464-S466 PolarHBondContact O-N 3.46Å; T464-A467 WeakPolarHBondContact O-CB 3.43Å; T464-A467 PolarHBondContact O-N 2.89Å; T464-A467 VanDerWaalsContact OG1-CB 3.27Å; T464-A467 WeakPolarHBondContact OG1-CB 3.41Å; T464-A467 PolarHBondContact OG1-N 3.3Å; T464-A467 VanDerWaalsContact OG1-N 3.16Å; T464-M468 WeakPolarHBondContact O-CG 3.43Å; T464-M468 PolarHBondContact O-N 2.86Å
465D85.9Confident86.1Confident69 Ų6932.8 Ų32.837%0.36919%0.188SC..Hα-helixtrans-50.1-45.9178.4-64.3-22.3000111.5K362 N448 M468 D469K362-D465 IonicContact NZ-OD2 3.65Å; N448-D465 PolarHBondContact ND2-O 3.27Å; D465-M468 PolarHBondContact O-N 3.22Å; D465-M468 WeakPolarHBondContact OD1-CE 3.22Å; D465-D469 VanDerWaalsContact O-CG 3.26Å; D465-D469 PolarHBondContact O-N 3.42Å
466S87.9Confident87.2Confident68 Ų6835.1 Ų35.148%0.47620%0.198SC..Hα-helixtrans-70.3-32.6178.7-56.60000114.4T464 F470 F635T464-S466 PolarHBondContact O-N 3.46Å; S466-F470 WeakPolarHBondContact O-CB 3.36Å; S466-F470 PolarHBondContact O-N 3.47Å; S466-F470 VanDerWaalsContact O-N 3.1Å; S466-F635 WeakPolarHBondContact O-CE2 3.03Å
467A94.1Very high89Confident1 Ų139.3 Ų39.31%0.00821%0.213CC..Hα-helixtrans-68-41.1173.800000110.4T464 F470 L471 L632 F635T464-A467 WeakPolarHBondContact O-CB 3.43Å; T464-A467 PolarHBondContact O-N 2.89Å; T464-A467 VanDerWaalsContact OG1-CB 3.27Å; T464-A467 WeakPolarHBondContact OG1-CB 3.41Å; T464-A467 PolarHBondContact OG1-N 3.3Å; T464-A467 VanDerWaalsContact OG1-N 3.16Å; A467-F470 WeakPolarHBondContact O-CB 3.48Å; A467-F470 PolarHBondContact O-N 3.48Å; A467-L471 WeakPolarHBondContact O-CG 3.2Å; A467-L471 PolarHBondContact O-N 3.31Å; A467-L632 HydrophobicContact CB-CD2 4.22Å; A467-F635 HydrophobicContact CB-CD1 3.57Å; A467-F635 HydrophobicContact CB-CE1 3.65Å; A467-F635 HydrophobicContact CB-CG 4.11Å; A467-F635 HydrophobicContact CB-CZ 4.24Å
468M93.1Very high90.8Very high13 Ų1338.3 Ų38.36%0.06421%0.205CC..Hα-helixtrans-64.8-43.5176.1-69.8-173.5-82.200112N448 L451 F453 L463 T464 D465 F470 L471 V472N448-M468 HydrophobicContact CB-CB 4.45Å; N448-M468 HydrophobicContact CB-CE 3.93Å; N448-M468 HydrophobicContact CB-SD 3.71Å; N448-M468 WeakPolarHBondContact ND2-CE 3.19Å; L451-M468 HydrophobicContact CD2-CB 3.88Å; L451-M468 HydrophobicContact CD2-CG 3.94Å; F453-M468 HydrophobicContact CE2-CG 4.38Å; F453-M468 HydrophobicContact CE2-SD 3.53Å; F453-M468 VanDerWaalsContact CE2-SD 3.53Å; F453-M468 HydrophobicContact CZ-CG 4.12Å; F453-M468 HydrophobicContact CZ-SD 3.88Å; L463-M468 WeakPolarHBondContact O-CE 3.26Å; T464-M468 WeakPolarHBondContact O-CG 3.43Å; T464-M468 PolarHBondContact O-N 2.86Å; D465-M468 PolarHBondContact O-N 3.22Å; D465-M468 WeakPolarHBondContact OD1-CE 3.22Å; M468-F470 VanDerWaalsContact C-N 3.27Å; M468-F470 PolarHBondContact O-N 2.88Å; M468-L471 WeakPolarHBondContact O-CB 3.29Å; M468-L471 PolarHBondContact O-N 3.48Å; M468-L471 VanDerWaalsContact O-N 3.13Å; M468-V472 WeakPolarHBondContact O-CG2 3.5Å; M468-V472 PolarHBondContact O-N 2.84Å
469D92.4Very high92.4Very high73 Ų7334.7 Ų34.739%0.3918%0.183SC..Hα-helixtrans-58.2-43174.2-69.6-20.7000111D465 L471 V472 E473D465-D469 VanDerWaalsContact O-CG 3.26Å; D465-D469 PolarHBondContact O-N 3.42Å; D469-L471 VanDerWaalsContact C-N 3.34Å; D469-L471 PolarHBondContact O-N 3.14Å; D469-V472 WeakPolarHBondContact O-CB 3.29Å; D469-V472 PolarHBondContact O-N 3.04Å; D469-E473 WeakPolarHBondContact O-CG 3.17Å; D469-E473 PolarHBondContact O-N 3.38Å
470F96.4Very high93.3Very high0 Ų036.8 Ų36.80%020%0.198CC..Hα-helixtrans-63.2-38.3176.4178.3-115.5000112.8S466 A467 M468 E473 L474 G631 F635 F670 T671 R674 L675S466-F470 WeakPolarHBondContact O-CB 3.36Å; S466-F470 PolarHBondContact O-N 3.47Å; S466-F470 VanDerWaalsContact O-N 3.1Å; A467-F470 WeakPolarHBondContact O-CB 3.48Å; A467-F470 PolarHBondContact O-N 3.48Å; M468-F470 VanDerWaalsContact C-N 3.27Å; M468-F470 PolarHBondContact O-N 2.88Å; F470-E473 PolarHBondContact O-N 3.03Å; F470-L474 HydrophobicContact CD1-CD1 4.12Å; F470-L474 HydrophobicContact CE1-CD1 3.62Å; F470-L474 HydrophobicContact CE1-CG 4.28Å; F470-L474 HydrophobicContact CE2-CD1 4.46Å; F470-L474 HydrophobicContact CE2-CD2 4.49Å; F470-L474 HydrophobicContact CE2-CG 4.24Å; F470-L474 HydrophobicContact CZ-CD1 3.8Å; F470-L474 HydrophobicContact CZ-CD2 4.24Å; F470-L474 HydrophobicContact CZ-CG 4.03Å; F470-L474 WeakPolarHBondContact O-CG 3.27Å; F470-L474 PolarHBondContact O-N 3.01Å; F470-G631 WeakPolarHBondContact CE1-O 3.23Å; F470-F635 HydrophobicContact CB-CD2 3.78Å; F470-F635 HydrophobicContact CB-CE2 4.13Å; F470-F635 HydrophobicContact CD1-CB 3.89Å; F470-F635 AromaticContact CD1-CD2 3.81Å; F470-F635 HydrophobicContact CD1-CD2 3.81Å; F470-F635 HydrophobicContact CD1-CG 4.26Å; F470-F635 HydrophobicContact CE1-CB 4.22Å; F470-F635 AromaticContact CG-CD2 3.88Å; F470-F635 HydrophobicContact CG-CD2 3.88Å; F470-F670 HydrophobicContact CD2-CE1 4.3Å; F470-F670 HydrophobicContact CE2-CD1 4.38Å; F470-F670 AromaticContact CE2-CE1 3.76Å; F470-F670 HydrophobicContact CE2-CE1 3.76Å; F470-T671 HydrophobicContact CE1-CG2 4.49Å; F470-T671 HydrophobicContact CZ-CG2 3.7Å; F470-R674 HydrophobicContact CD2-CG 3.8Å; F470-R674 HydrophobicContact CE2-CB 4.23Å; F470-R674 HydrophobicContact CE2-CG 3.81Å; F470-L675 HydrophobicContact CD2-CD2 4.44Å; F470-L675 HydrophobicContact CE1-CD1 4.49Å; F470-L675 HydrophobicContact CE2-CD2 4.41Å; F470-L675 HydrophobicContact CE2-CG 4.43Å; F470-L675 HydrophobicContact CZ-CD1 4.29Å; F470-L675 HydrophobicContact CZ-CG 4.44Å
471L97.2Very high94.2Very high0 Ų036.8 Ų36.80%020%0.196CC..Hα-helixtrans-64.1-39.3173.1-69.9179.4000112.2L451 A467 M468 D469 L474 H475 M623 F628 L632L451-L471 HydrophobicContact CD2-CB 4.22Å; L451-L471 HydrophobicContact CD2-CD1 4.13Å; A467-L471 WeakPolarHBondContact O-CG 3.2Å; A467-L471 PolarHBondContact O-N 3.31Å; M468-L471 WeakPolarHBondContact O-CB 3.29Å; M468-L471 PolarHBondContact O-N 3.48Å; M468-L471 VanDerWaalsContact O-N 3.13Å; D469-L471 VanDerWaalsContact C-N 3.34Å; D469-L471 PolarHBondContact O-N 3.14Å; L471-L474 HydrophobicContact CD2-CD1 4.46Å; L471-L474 PolarHBondContact O-N 3.19Å; L471-H475 PolarHBondContact O-N 2.78Å; L471-M623 HydrophobicContact CB-CE 3.89Å; L471-M623 HydrophobicContact CB-SD 4.06Å; L471-M623 HydrophobicContact CD2-CE 3.78Å; L471-M623 HydrophobicContact CD2-SD 4.46Å; L471-M623 HydrophobicContact CG-CE 4.39Å; L471-M623 VanDerWaalsContact O-CE 3.24Å; L471-M623 WeakPolarHBondContact O-CE 3.3Å; L471-F628 HydrophobicContact CD1-CD2 3.79Å; L471-F628 HydrophobicContact CD1-CE2 3.65Å; L471-F628 HydrophobicContact CD2-CD2 4.49Å; L471-L632 HydrophobicContact CD1-CD2 3.81Å; L471-L632 HydrophobicContact CD1-CG 4.04Å; L471-L632 HydrophobicContact CD2-CG 4.3Å; L471-L632 HydrophobicContact CG-CD2 4.32Å
472V96Very high94.9Very high14 Ų1434.6 Ų34.69%0.08518%0.182CC..Hα-helixtrans-60.5-49.4173.91750000110.6K450 L451 M468 D469 L474 H475 E476 I618K450-V472 HydrophobicContact CB-CG1 4.07Å; K450-V472 HydrophobicContact CB-CG2 4.23Å; K450-V472 HydrophobicContact CD-CG1 4Å; L451-V472 HydrophobicContact CB-CG2 3.64Å; M468-V472 WeakPolarHBondContact O-CG2 3.5Å; M468-V472 PolarHBondContact O-N 2.84Å; D469-V472 WeakPolarHBondContact O-CB 3.29Å; D469-V472 PolarHBondContact O-N 3.04Å; V472-L474 VanDerWaalsContact C-N 3.29Å; V472-L474 PolarHBondContact O-N 3.02Å; V472-H475 PolarHBondContact O-N 3.1Å; V472-E476 HydrophobicContact CG1-CG 4.21Å; V472-E476 WeakPolarHBondContact O-CG 3.35Å; V472-E476 PolarHBondContact O-N 2.93Å; V472-I618 HydrophobicContact CB-CD1 4.37Å; V472-I618 HydrophobicContact CG2-CD1 4.1Å; V472-I618 HydrophobicContact CG2-CG1 4.34Å
473E97.2Very high95Very high60 Ų6039.7 Ų39.728%0.2820%0.201SC..Hα-helixtrans-59.3-40.5178.9-66.5177.1-118.500111.9D469 F470 K477 F670 R674D469-E473 WeakPolarHBondContact O-CG 3.17Å; D469-E473 PolarHBondContact O-N 3.38Å; F470-E473 PolarHBondContact O-N 3.03Å; E473-K477 VanDerWaalsContact O-CB 3.28Å; E473-K477 WeakPolarHBondContact O-CB 3.28Å; E473-K477 PolarHBondContact O-N 3.11Å; E473-F670 HydrophobicContact CB-CE1 4.22Å; E473-F670 HydrophobicContact CB-CZ 3.72Å; E473-F670 WeakPolarHBondContact OE2-CZ 3.35Å; E473-R674 IonicContact OE1-CZ 3.93Å; E473-R674 IonicContact OE1-NE 3.46Å; E473-R674 PolarHBondContact OE1-NE 3.32Å; E473-R674 IonicContact OE1-NH2 3.68Å; E473-R674 PolarHBondContact OE1-NH2 3.49Å; E473-R674 WeakPolarHBondContact OE2-CD 3.2Å; E473-R674 IonicContact OE2-NE 2.74Å; E473-R674 PolarHBondContact OE2-NE 2.86Å
474L98.3Very high95.3Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-61.9-48.8175.1-77.6175.8000111.9F470 L471 V472 K477 F478 M623 V667 F670F470-L474 HydrophobicContact CD1-CD1 4.12Å; F470-L474 HydrophobicContact CE1-CD1 3.62Å; F470-L474 HydrophobicContact CE1-CG 4.28Å; F470-L474 HydrophobicContact CE2-CD1 4.46Å; F470-L474 HydrophobicContact CE2-CD2 4.49Å; F470-L474 HydrophobicContact CE2-CG 4.24Å; F470-L474 HydrophobicContact CZ-CD1 3.8Å; F470-L474 HydrophobicContact CZ-CD2 4.24Å; F470-L474 HydrophobicContact CZ-CG 4.03Å; F470-L474 WeakPolarHBondContact O-CG 3.27Å; F470-L474 PolarHBondContact O-N 3.01Å; L471-L474 HydrophobicContact CD2-CD1 4.46Å; L471-L474 PolarHBondContact O-N 3.19Å; V472-L474 VanDerWaalsContact C-N 3.29Å; V472-L474 PolarHBondContact O-N 3.02Å; L474-K477 PolarHBondContact O-N 3.36Å; L474-F478 HydrophobicContact CD2-CD2 3.97Å; L474-F478 HydrophobicContact CD2-CE2 3.86Å; L474-F478 WeakPolarHBondContact O-CB 3.27Å; L474-F478 VanDerWaalsContact O-CD2 3.24Å; L474-F478 WeakPolarHBondContact O-CD2 3.49Å; L474-F478 PolarHBondContact O-N 2.76Å; L474-F478 VanDerWaalsContact O-N 3.08Å; L474-M623 HydrophobicContact CB-CE 4.36Å; L474-V667 HydrophobicContact CD2-CG1 4.02Å; L474-F670 HydrophobicContact CD2-CD1 3.63Å; L474-F670 HydrophobicContact CD2-CE1 3.79Å; L474-F670 HydrophobicContact CG-CE1 4.19Å
475H97.7Very high96Very high13 Ų1343.8 Ų43.86%0.0622%0.216CC..Hα-helixtrans-62-53.3-178.3-179.493000111.6L471 V472 K477 F478 E479 I618 M623L471-H475 PolarHBondContact O-N 2.78Å; V472-H475 PolarHBondContact O-N 3.1Å; H475-K477 PolarHBondContact O-N 2.69Å; H475-K477 VanDerWaalsContact O-N 3.15Å; H475-F478 PolarHBondContact O-N 2.73Å; H475-E479 WeakPolarHBondContact O-CB 3.38Å; H475-E479 PolarHBondContact O-N 3.49Å; H475-I618 HydrophobicContact CB-CD1 3.26Å; H475-I618 VanDerWaalsContact CG-CD1 3.43Å; H475-M623 HydrophobicContact CB-CE 4.22Å; H475-M623 HydrophobicContact CB-CG 4.35Å; H475-M623 HydrophobicContact CB-SD 4.44Å
476E96.2Very high96.5Very high86 Ų8642.5 Ų42.540%0.40221%0.209SC..Hα-helixtrans-57.2-35.4-177.5-70.8-175.2156.900112.3K450 V472K450-E476 VanDerWaalsContact CD-OE1 3.22Å; K450-E476 WeakPolarHBondContact CD-OE1 3.37Å; K450-E476 WeakPolarHBondContact CE-OE1 3.48Å; K450-E476 IonicContact NZ-OE1 3.63Å; K450-E476 PolarHBondContact NZ-OE1 3.47Å; V472-E476 HydrophobicContact CG1-CG 4.21Å; V472-E476 WeakPolarHBondContact O-CG 3.35Å; V472-E476 PolarHBondContact O-N 2.93Å
477K97.9Very high97Very high120 Ų12041.6 Ų41.652%0.52221%0.205SC..Hα-helixtrans-82.1-34.7-176.1-163.3168.6-177.1-1800113.6E473 L474 H475 F670E473-K477 VanDerWaalsContact O-CB 3.28Å; E473-K477 WeakPolarHBondContact O-CB 3.28Å; E473-K477 PolarHBondContact O-N 3.11Å; L474-K477 PolarHBondContact O-N 3.36Å; H475-K477 PolarHBondContact O-N 2.69Å; H475-K477 VanDerWaalsContact O-N 3.15Å; K477-F670 HydrophobicContact CD-CD2 3.92Å; K477-F670 HydrophobicContact CD-CE2 4.26Å; K477-F670 HydrophobicContact CD-CG 4.18Å
478F98.6Very high97.1Very high8 Ų846 Ų464%0.03522%0.221CC..Hα-helixtrans-119.4-21.7-165.3-58.9-57.1000115.2L474 H475 E481 R482 L627 L663 Q666 V667 F670L474-F478 HydrophobicContact CD2-CD2 3.97Å; L474-F478 HydrophobicContact CD2-CE2 3.86Å; L474-F478 WeakPolarHBondContact O-CB 3.27Å; L474-F478 VanDerWaalsContact O-CD2 3.24Å; L474-F478 WeakPolarHBondContact O-CD2 3.49Å; L474-F478 PolarHBondContact O-N 2.76Å; L474-F478 VanDerWaalsContact O-N 3.08Å; H475-F478 PolarHBondContact O-N 2.73Å; F478-E481 PolarHBondContact O-N 3.09Å; F478-R482 PolarHBondContact O-N 2.84Å; F478-L627 HydrophobicContact CB-CD1 4.07Å; F478-L627 HydrophobicContact CB-CD2 4.47Å; F478-L663 HydrophobicContact CB-CD1 4.15Å; F478-L663 HydrophobicContact CD1-CD1 4.05Å; F478-L663 HydrophobicContact CG-CD1 4.46Å; F478-Q666 HydrophobicContact CD1-CB 4.36Å; F478-Q666 HydrophobicContact CE1-CB 3.71Å; F478-Q666 HydrophobicContact CZ-CB 4.45Å; F478-Q666 VanDerWaalsContact CZ-O 3.3Å; F478-Q666 WeakPolarHBondContact CZ-O 3.44Å; F478-V667 HydrophobicContact CB-CG2 4.23Å; F478-V667 HydrophobicContact CD1-CG2 4.1Å; F478-V667 HydrophobicContact CD2-CB 4.43Å; F478-V667 HydrophobicContact CD2-CG2 3.7Å; F478-V667 HydrophobicContact CE1-CG2 4.42Å; F478-V667 HydrophobicContact CE2-CB 4.34Å; F478-V667 HydrophobicContact CE2-CG2 4.04Å; F478-V667 HydrophobicContact CG-CG2 3.73Å; F478-V667 HydrophobicContact CZ-CG2 4.38Å; F478-F670 HydrophobicContact CE2-CB 3.89Å; F478-F670 AromaticContact CE2-CD1 3.75Å; F478-F670 HydrophobicContact CE2-CD1 3.75Å; F478-F670 AromaticContact CE2-CG 3.96Å; F478-F670 HydrophobicContact CE2-CG 3.96Å; F478-F670 HydrophobicContact CZ-CB 3.58Å; F478-F670 HydrophobicContact CZ-CD1 4.3Å; F478-F670 HydrophobicContact CZ-CG 4.03Å
479E97.5Very high97.3Very high4 Ų446.1 Ų46.12%0.01922%0.221CC..Hα-helixtrans-58-42.5178179.863.7-164.100113.1H475 E481 R482 R483H475-E479 WeakPolarHBondContact O-CB 3.38Å; H475-E479 PolarHBondContact O-N 3.49Å; E479-E481 VanDerWaalsContact C-N 3.29Å; E479-E481 PolarHBondContact O-N 3.43Å; E479-R482 VanDerWaalsContact CD-NH1 3.27Å; E479-R482 WeakPolarHBondContact O-CB 3.47Å; E479-R482 PolarHBondContact O-N 3.46Å; E479-R482 IonicContact OE1-CZ 3.84Å; E479-R482 IonicContact OE1-NH1 2.77Å; E479-R482 PolarHBondContact OE1-NH1 3.42Å; E479-R482 WeakPolarHBondContact OE2-CD 3.44Å; E479-R482 IonicContact OE2-CZ 2.74Å; E479-R482 IonicContact OE2-NE 2.95Å; E479-R482 IonicContact OE2-NH1 3.52Å; E479-R482 PolarHBondContact OE2-NH1 3.49Å; E479-R483 PolarHBondContact O-N 2.97Å; E479-R483 WeakPolarHBondContact OE1-CG 3.11Å; E479-R483 IonicContact OE1-CZ 3.03Å; E479-R483 IonicContact OE1-NE 2.64Å; E479-R483 PolarHBondContact OE1-NE 3.03Å; E479-R483 IonicContact OE1-NH2 3.38Å; E479-R483 PolarHBondContact OE1-NH2 2.77Å
480P97.6Very high97.5Very high71 Ų7147.8 Ų47.846%0.46123%0.23SC..Hα-helixtrans-59.7-39.1178.5-25.835.8000113.1K484P480-K484 WeakPolarHBondContact O-CG 3.11Å; P480-K484 PolarHBondContact O-N 3.16Å
481E98.4Very high97.4Very high71 Ų7154.3 Ų54.333%0.33226%0.26SS..Hα-helixtrans-75.2-39.3179.4-165.962.9-16400111.3F478 E479 R483 K484 L485 L663F478-E481 PolarHBondContact O-N 3.09Å; E479-E481 VanDerWaalsContact C-N 3.29Å; E479-E481 PolarHBondContact O-N 3.43Å; E481-R483 VanDerWaalsContact C-N 3.33Å; E481-R483 PolarHBondContact O-N 3.24Å; E481-K484 PolarHBondContact O-N 3.33Å; E481-K484 WeakPolarHBondContact OE2-CD 3.37Å; E481-K484 IonicContact OE2-NZ 2.75Å; E481-K484 PolarHBondContact OE2-NZ 3.25Å; E481-L485 WeakPolarHBondContact O-CG 3.43Å; E481-L485 PolarHBondContact O-N 3.46Å; E481-L663 HydrophobicContact CB-CD1 4.07Å; E481-L663 HydrophobicContact CG-CD1 4.21Å
482R98.5Very high97.4Very high5 Ų557 Ų572%0.01927%0.27CS..Hα-helixtrans-53.4-49.5171.1178.1-167.2158.1-130-2.8111.2F478 E479 K484 L485 L486 W609 L611 D612 S624 L663F478-R482 PolarHBondContact O-N 2.84Å; E479-R482 VanDerWaalsContact CD-NH1 3.27Å; E479-R482 WeakPolarHBondContact O-CB 3.47Å; E479-R482 PolarHBondContact O-N 3.46Å; E479-R482 IonicContact OE1-CZ 3.84Å; E479-R482 IonicContact OE1-NH1 2.77Å; E479-R482 PolarHBondContact OE1-NH1 3.42Å; E479-R482 WeakPolarHBondContact OE2-CD 3.44Å; E479-R482 IonicContact OE2-CZ 2.74Å; E479-R482 IonicContact OE2-NE 2.95Å; E479-R482 IonicContact OE2-NH1 3.52Å; E479-R482 PolarHBondContact OE2-NH1 3.49Å; R482-K484 VanDerWaalsContact C-N 3.34Å; R482-K484 PolarHBondContact O-N 2.86Å; R482-L485 PolarHBondContact O-N 3.24Å; R482-L485 VanDerWaalsContact O-N 3.12Å; R482-L486 HydrophobicContact CG-CD1 4.35Å; R482-L486 WeakPolarHBondContact O-CG 3.38Å; R482-L486 PolarHBondContact O-N 3.05Å; R482-W609 HydrophobicContact CG-CD2 4.41Å; R482-W609 HydrophobicContact CG-CE3 3.84Å; R482-W609 HydrophobicContact CG-CZ3 4.39Å; R482-W609 PolarHBondContact NE-O 3.12Å; R482-W609 PolarHBondContact NH2-O 3.12Å; R482-L611 PolarHBondContact NH2-O 3.03Å; R482-L611 VanDerWaalsContact NH2-O 3.15Å; R482-D612 IonicContact CZ-OD1 3.28Å; R482-D612 IonicContact NH1-OD1 2.8Å; R482-D612 PolarHBondContact NH1-OD1 3.47Å; R482-D612 IonicContact NH2-OD1 2.81Å; R482-D612 PolarHBondContact NH2-OD1 2.89Å; R482-S624 WeakPolarHBondContact CD-OG 3.41Å; R482-S624 PolarHBondContact NE-OG 3.22Å; R482-L663 HydrophobicContact CB-CD2 3.88Å
483R97.4Very high97.4Very high108 Ų10856.7 Ų56.741%0.40827%0.268SS..Hα-helixtrans-62.5-38.8-179.8-70.9-162.7-179.7-120.6-6.8112.9E479 E481 L485 L486 A487E479-R483 PolarHBondContact O-N 2.97Å; E479-R483 WeakPolarHBondContact OE1-CG 3.11Å; E479-R483 IonicContact OE1-CZ 3.03Å; E479-R483 IonicContact OE1-NE 2.64Å; E479-R483 PolarHBondContact OE1-NE 3.03Å; E479-R483 IonicContact OE1-NH2 3.38Å; E479-R483 PolarHBondContact OE1-NH2 2.77Å; E481-R483 VanDerWaalsContact C-N 3.33Å; E481-R483 PolarHBondContact O-N 3.24Å; R483-L485 VanDerWaalsContact C-N 3.33Å; R483-L485 PolarHBondContact O-N 3.02Å; R483-L486 PolarHBondContact O-N 2.73Å; R483-A487 PolarHBondContact O-N 3.44Å
484K98.4Very high97.3Very high126 Ų12656.1 Ų56.155%0.54827%0.273SS..Hα-helixtrans-61.9-41.2173.1-70.1175.7-160.4160.60111.9P480 E481 R482 A487 R488P480-K484 WeakPolarHBondContact O-CG 3.11Å; P480-K484 PolarHBondContact O-N 3.16Å; E481-K484 PolarHBondContact O-N 3.33Å; E481-K484 WeakPolarHBondContact OE2-CD 3.37Å; E481-K484 IonicContact OE2-NZ 2.75Å; E481-K484 PolarHBondContact OE2-NZ 3.25Å; R482-K484 VanDerWaalsContact C-N 3.34Å; R482-K484 PolarHBondContact O-N 2.86Å; K484-A487 PolarHBondContact O-N 3.38Å; K484-R488 WeakPolarHBondContact O-CB 3.26Å; K484-R488 PolarHBondContact O-N 2.98Å
485L98.5Very high97.2Very high10 Ų1057.9 Ų57.95%0.05229%0.288CS..Hα-helixtrans-67.3-40178-66.3175.9000111.9E481 R482 R483 R488 R489 L659 E660 L663E481-L485 WeakPolarHBondContact O-CG 3.43Å; E481-L485 PolarHBondContact O-N 3.46Å; R482-L485 PolarHBondContact O-N 3.24Å; R482-L485 VanDerWaalsContact O-N 3.12Å; R483-L485 VanDerWaalsContact C-N 3.33Å; R483-L485 PolarHBondContact O-N 3.02Å; L485-R488 WeakPolarHBondContact O-CB 3.45Å; L485-R488 PolarHBondContact O-N 3.13Å; L485-R489 PolarHBondContact O-N 2.66Å; L485-L659 HydrophobicContact CD2-CB 3.69Å; L485-L659 HydrophobicContact CD2-CD1 4.42Å; L485-E660 HydrophobicContact CB-CG 4.27Å; L485-E660 HydrophobicContact CD1-CB 4.48Å; L485-E660 HydrophobicContact CD1-CG 3.94Å; L485-L663 HydrophobicContact CD1-CB 3.84Å; L485-L663 HydrophobicContact CD1-CD2 3.84Å; L485-L663 HydrophobicContact CD1-CG 4.46Å
486L97.6Very high97.2Very high42 Ų4257.7 Ų57.722%0.2229%0.287CS..Hα-helixtrans-62.4-41172.6-66.8177.5000112R482 R483 R488 R489 W609 H610R482-L486 HydrophobicContact CG-CD1 4.35Å; R482-L486 WeakPolarHBondContact O-CG 3.38Å; R482-L486 PolarHBondContact O-N 3.05Å; R483-L486 PolarHBondContact O-N 2.73Å; L486-R488 VanDerWaalsContact C-N 3.34Å; L486-R488 PolarHBondContact O-N 3.14Å; L486-R489 WeakPolarHBondContact O-CB 3.43Å; L486-R489 PolarHBondContact O-N 3.06Å; L486-W609 HydrophobicContact CD2-CB 4.32Å; L486-H610 HydrophobicContact CD2-CB 4.43Å
487A97.2Very high97.1Very high48 Ų4854.7 Ų54.740%0.39727%0.274SS..Hα-helixtrans-62.9-40.7173.600000111.9R483 K484 R489 L490 E491R483-A487 PolarHBondContact O-N 3.44Å; K484-A487 PolarHBondContact O-N 3.38Å; A487-R489 VanDerWaalsContact C-N 3.28Å; A487-R489 PolarHBondContact O-N 3.33Å; A487-L490 WeakPolarHBondContact O-CB 3.49Å; A487-L490 PolarHBondContact O-N 3.06Å; A487-E491 PolarHBondContact O-N 3.27Å
488R97.4Very high97Very high94 Ų9454.9 Ų54.936%0.35528%0.281SS..Hα-helixtrans-62.4-31.5175.6-178.2177.5171.3143.7-4.9112.9K484 L485 L486 L490 E491 R492K484-R488 WeakPolarHBondContact O-CB 3.26Å; K484-R488 PolarHBondContact O-N 2.98Å; L485-R488 WeakPolarHBondContact O-CB 3.45Å; L485-R488 PolarHBondContact O-N 3.13Å; L486-R488 VanDerWaalsContact C-N 3.34Å; L486-R488 PolarHBondContact O-N 3.14Å; R488-L490 VanDerWaalsContact C-N 3.27Å; R488-L490 PolarHBondContact O-N 2.76Å; R488-E491 PolarHBondContact O-N 3.46Å; R488-R492 HydrophobicContact CG-CG 4.46Å; R488-R492 WeakPolarHBondContact O-CG 3.35Å; R488-R492 PolarHBondContact O-N 3.48Å
489R97.2Very high96.8Very high15 Ų1556.5 Ų56.56%0.05730%0.299CS..Hα-helixtrans-58.3-42.7172.3-67.8178.7173.2-155.16.9110.9L485 L486 A487 E491 R492 Q493 K654 E656 E660L485-R489 PolarHBondContact O-N 2.66Å; L486-R489 WeakPolarHBondContact O-CB 3.43Å; L486-R489 PolarHBondContact O-N 3.06Å; A487-R489 VanDerWaalsContact C-N 3.28Å; A487-R489 PolarHBondContact O-N 3.33Å; R489-E491 PolarHBondContact O-N 3.44Å; R489-R492 PolarHBondContact O-N 3.08Å; R489-Q493 VanDerWaalsContact O-CB 3.23Å; R489-Q493 WeakPolarHBondContact O-CB 3.47Å; R489-Q493 PolarHBondContact O-N 2.87Å; R489-K654 PolarHBondContact NH2-O 2.76Å; R489-E656 VanDerWaalsContact CD-CD 3.48Å; R489-E656 VanDerWaalsContact CD-OE1 3.28Å; R489-E656 WeakPolarHBondContact CD-OE1 3.37Å; R489-E656 WeakPolarHBondContact CG-OE2 3.3Å; R489-E656 IonicContact CZ-OE1 3.78Å; R489-E656 VanDerWaalsContact CZ-OE1 3.24Å; R489-E656 IonicContact NE-OE1 3.15Å; R489-E656 PolarHBondContact NE-OE1 2.97Å; R489-E656 IonicContact NE-OE2 3.95Å; R489-E656 IonicContact NH1-OE1 3.93Å; R489-E656 PolarHBondContact NH1-OE1 3.33Å; R489-E660 IonicContact CZ-OE1 3.79Å; R489-E660 IonicContact CZ-OE2 2.72Å; R489-E660 IonicContact NE-OE1 3.69Å; R489-E660 PolarHBondContact NE-OE1 2.97Å; R489-E660 IonicContact NE-OE2 2.76Å; R489-E660 VanDerWaalsContact NH2-CD 3.3Å; R489-E660 IonicContact NH2-OE1 2.74Å; R489-E660 PolarHBondContact NH2-OE1 3.41Å; R489-E660 IonicContact NH2-OE2 3.97Å; R489-E660 PolarHBondContact NH2-OE2 2.97Å
490L95.4Very high96.7Very high109 Ų10962.4 Ų62.457%0.57133%0.327SS*.Hα-helixtrans-63.3-41177-56176.3000112.1A487 R488 Q493 A494A487-L490 WeakPolarHBondContact O-CB 3.49Å; A487-L490 PolarHBondContact O-N 3.06Å; R488-L490 VanDerWaalsContact C-N 3.27Å; R488-L490 PolarHBondContact O-N 2.76Å; L490-Q493 PolarHBondContact O-N 3.42Å; L490-A494 PolarHBondContact O-N 2.97Å
491E96.1Very high96.5Very high136 Ų13663.2 Ų63.264%0.63633%0.327SS*.Hα-helixtrans-63.1-47.5176.1-64.7172.8177.500112A487 R488 R489 Q493 A494 A495A487-E491 PolarHBondContact O-N 3.27Å; R488-E491 PolarHBondContact O-N 3.46Å; R489-E491 PolarHBondContact O-N 3.44Å; E491-Q493 PolarHBondContact O-N 2.84Å; E491-A494 WeakPolarHBondContact O-CB 3.45Å; E491-A494 PolarHBondContact O-N 3.35Å; E491-A495 PolarHBondContact O-N 3.22Å
492R95.9Very high96.4Very high57 Ų5760.7 Ų60.722%0.21532%0.316CS..Hα-helixtrans-60.6-39.8176.6-71.2-178.875.4-179.213.5111.3R488 R489 A495 L496 E656 E696R488-R492 HydrophobicContact CG-CG 4.46Å; R488-R492 WeakPolarHBondContact O-CG 3.35Å; R488-R492 PolarHBondContact O-N 3.48Å; R489-R492 PolarHBondContact O-N 3.08Å; R492-A495 WeakPolarHBondContact O-CB 3.49Å; R492-A495 PolarHBondContact O-N 3.46Å; R492-L496 WeakPolarHBondContact O-CG 3.49Å; R492-L496 PolarHBondContact O-N 3.26Å; R492-E656 PolarHBondContact NH1-O 2.68Å; R492-E696 IonicContact CZ-OE1 2.8Å; R492-E696 IonicContact NH1-OE1 2.95Å; R492-E696 PolarHBondContact NH1-OE1 2.78Å; R492-E696 IonicContact NH2-OE1 3.48Å; R492-E696 PolarHBondContact NH2-OE1 3.12Å
493Q96.7Very high96.3Very high8 Ų865.2 Ų65.24%0.03734%0.341CS..Hα-helixtrans-70.9-33.8179.6-174.559.773.700112.9R489 L490 E491 L496 N497 K724 A725 R727R489-Q493 VanDerWaalsContact O-CB 3.23Å; R489-Q493 WeakPolarHBondContact O-CB 3.47Å; R489-Q493 PolarHBondContact O-N 2.87Å; L490-Q493 PolarHBondContact O-N 3.42Å; E491-Q493 PolarHBondContact O-N 2.84Å; Q493-L496 PolarHBondContact O-N 2.69Å; Q493-N497 PolarHBondContact NE2-OD1 3.09Å; Q493-N497 WeakPolarHBondContact O-CB 3.4Å; Q493-N497 PolarHBondContact O-N 3.03Å; Q493-N497 PolarHBondContact O-ND2 2.89Å; Q493-N497 PolarHBondContact O-OD1 2.82Å; Q493-K724 PolarHBondContact OE1-O 3.27Å; Q493-A725 PolarHBondContact NE2-O 3.4Å; Q493-R727 VanDerWaalsContact OE1-NH1 3.1Å
494A95.6Very high96.2Very high47 Ų4762 Ų6239%0.38833%0.33SS..Hα-helixtrans-62.2-44.2169.500000111L490 E491 L496 N497 D498L490-A494 PolarHBondContact O-N 2.97Å; E491-A494 WeakPolarHBondContact O-CB 3.45Å; E491-A494 PolarHBondContact O-N 3.35Å; A494-L496 PolarHBondContact O-N 3.11Å; A494-N497 WeakPolarHBondContact O-CB 3.26Å; A494-N497 PolarHBondContact O-N 3.02Å; A494-N497 VanDerWaalsContact O-N 3.15Å; A494-D498 PolarHBondContact O-N 2.69Å
495A96.2Very high96Very high38 Ų3857.4 Ų57.431%0.31431%0.311SS..Hα-helixtrans-61-42.6175.900000112.6E491 R492 D498 G499 H500E491-A495 PolarHBondContact O-N 3.22Å; R492-A495 WeakPolarHBondContact O-CB 3.49Å; R492-A495 PolarHBondContact O-N 3.46Å; A495-D498 PolarHBondContact O-N 2.87Å; A495-G499 PolarHBondContact O-N 3.17Å; A495-H500 HydrophobicContact CB-CB 4.34Å; A495-H500 VanDerWaalsContact O-CB 3.31Å; A495-H500 WeakPolarHBondContact O-CB 3.43Å; A495-H500 PolarHBondContact O-N 2.8Å; A495-H500 PolarHBondContact O-ND1 3.47Å; A495-H500 VanDerWaalsContact O-ND1 3.09Å
496L96.4Very high95.8Very high8 Ų862 Ų624%0.04234%0.342CS..Hα-helixtrans-59-47.8172.9-75.6164.8000110.8R492 Q493 A494 D498 G499 H500 P502 L692 A725 H729R492-L496 WeakPolarHBondContact O-CG 3.49Å; R492-L496 PolarHBondContact O-N 3.26Å; Q493-L496 PolarHBondContact O-N 2.69Å; A494-L496 PolarHBondContact O-N 3.11Å; L496-D498 PolarHBondContact O-N 2.67Å; L496-G499 PolarHBondContact O-N 3.34Å; L496-H500 WeakPolarHBondContact CD2-O 3.42Å; L496-P502 HydrophobicContact CD2-CG 4.39Å; L496-L692 HydrophobicContact CD1-CD1 3.94Å; L496-L692 HydrophobicContact CD1-CD2 4.02Å; L496-L692 HydrophobicContact CD2-CD2 4.48Å; L496-A725 HydrophobicContact CD1-CB 4.23Å; L496-H729 PolarHBondContact O-CE1 3.25Å; L496-H729 PolarHBondContact O-NE2 3.43Å
497N95.2Very high95.7Very high23 Ų2366 Ų6612%0.12336%0.359CS..Hα-helixtrans-57.7-32.1177.7-72.6-18.1000112.7Q493 A494 G499 R728 H729Q493-N497 PolarHBondContact NE2-OD1 3.09Å; Q493-N497 WeakPolarHBondContact O-CB 3.4Å; Q493-N497 PolarHBondContact O-N 3.03Å; Q493-N497 PolarHBondContact O-ND2 2.89Å; Q493-N497 PolarHBondContact O-OD1 2.82Å; A494-N497 WeakPolarHBondContact O-CB 3.26Å; A494-N497 PolarHBondContact O-N 3.02Å; A494-N497 VanDerWaalsContact O-N 3.15Å; N497-G499 PolarHBondContact O-N 3.15Å; N497-R728 HydrophobicContact CB-CG 4.4Å; N497-H729 PolarHBondContact O-CE1 3.46Å
498D95.9Very high95.6Very high125 Ų12564.1 Ų64.167%0.66834%0.343SS*.THydrogen-bonded Turntrans-81.33.8176.3-65.8-18.5000113.6A494 A495 L496A494-D498 PolarHBondContact O-N 2.69Å; A495-D498 PolarHBondContact O-N 2.87Å; L496-D498 PolarHBondContact O-N 2.67Å
499G93.3Very high95.5Very high41 Ų4161.6 Ų61.642%0.42334%0.34SS..THydrogen-bonded Turntrans95.17.1175.200000115.3A495 L496 N497 L501A495-G499 PolarHBondContact O-N 3.17Å; L496-G499 PolarHBondContact O-N 3.34Å; N497-G499 PolarHBondContact O-N 3.15Å; G499-L501 PolarHBondContact O-N 3.29Å
500H95.1Very high95.5Very high128 Ų12867.7 Ų67.759%0.59337%0.369SS*.  trans-77.194.4174.6-60.484.5000110.2A495 L496A495-H500 HydrophobicContact CB-CB 4.34Å; A495-H500 VanDerWaalsContact O-CB 3.31Å; A495-H500 WeakPolarHBondContact O-CB 3.43Å; A495-H500 PolarHBondContact O-N 2.8Å; A495-H500 PolarHBondContact O-ND1 3.47Å; A495-H500 VanDerWaalsContact O-ND1 3.09Å; L496-H500 WeakPolarHBondContact CD2-O 3.42Å
501L94.5Very high95.5Very high88 Ų8863.8 Ų63.846%0.46135%0.348SS..  trans-63146.8179.5-61.3-178.9000111.9G499 F726 Y732 I844G499-L501 PolarHBondContact O-N 3.29Å; L501-F726 HydrophobicContact CD2-CE1 4.02Å; L501-Y732 HydrophobicContact CD2-CE2 4.36Å; L501-Y732 VanDerWaalsContact CD2-OH 3.28Å; L501-Y732 WeakPolarHBondContact CD2-OH 3.47Å; L501-I844 HydrophobicContact CB-CD1 4.49Å; L501-I844 HydrophobicContact CD1-CD1 4.11Å; L501-I844 HydrophobicContact CD2-CD1 4.45Å
502P95.6Very high95.5Very high18 Ų1859.4 Ų59.412%0.11733%0.326CS..  trans-69.3141.5178.930.6-34.4000111.2L496 M691 L692 F695 F726 I844L496-P502 HydrophobicContact CD2-CG 4.39Å; P502-M691 HydrophobicContact CG-CE 4.18Å; P502-M691 HydrophobicContact CG-SD 4.01Å; P502-L692 HydrophobicContact CB-CD2 3.69Å; P502-L692 HydrophobicContact CG-CD2 4.15Å; P502-F695 HydrophobicContact CB-CD2 3.95Å; P502-F695 HydrophobicContact CB-CE1 4.44Å; P502-F695 HydrophobicContact CB-CE2 3.77Å; P502-F695 HydrophobicContact CB-CG 4.38Å; P502-F695 HydrophobicContact CB-CZ 4.02Å; P502-F695 HydrophobicContact CG-CD2 4.45Å; P502-F695 HydrophobicContact CG-CE2 3.78Å; P502-F695 HydrophobicContact CG-CZ 3.86Å; P502-F695 WeakPolarHBondContact O-CE1 3.35Å; P502-F726 HydrophobicContact CG-CZ 4.18Å; P502-I844 HydrophobicContact CG-CG2 3.93Å
503D95.9Very high95.4Very high101 Ų10164.1 Ų64.154%0.5435%0.352SS..  trans-148.1168.2176.8-157.2-11.6000109.7A840D503-A840 VanDerWaalsContact OD1-CB 3.3Å; D503-A840 WeakPolarHBondContact OD1-CB 2.96Å
504F95.9Very high95.3Very high40 Ų4065 Ų6518%0.17536%0.363CS..  trans-63.1135.8174.1-61.8-71.1000111.1P506 F695 Y753 F843F504-P506 VanDerWaalsContact O-CD 3.26Å; F504-P506 WeakPolarHBondContact O-CD 3.37Å; F504-F695 WeakPolarHBondContact CD1-O 3.04Å; F504-Y753 AromaticContact CE1-CE1 3.84Å; F504-Y753 HydrophobicContact CE1-CE1 3.84Å; F504-Y753 AromaticContact CE1-CZ 3.72Å; F504-Y753 VanDerWaalsContact CE1-OH 3.24Å; F504-Y753 WeakPolarHBondContact CE1-OH 3.38Å; F504-Y753 HydrophobicContact CZ-CE1 4.15Å; F504-Y753 AromaticContact CZ-CZ 3.87Å; F504-F843 HydrophobicContact CE2-CE2 4.29Å; F504-F843 AromaticContact CZ-CE2 3.69Å; F504-F843 HydrophobicContact CZ-CE2 3.69Å; F504-F843 HydrophobicContact CZ-CZ 4.4Å
505L94.7Very high95.4Very high29 Ų2971.5 Ų71.515%0.15239%0.385CS..  trans-66.6121.3-175.7-60.5-179.2000111.3H507 T508 R512 E696L505-H507 VanDerWaalsContact C-N 3.34Å; L505-H507 PolarHBondContact O-N 3.08Å; L505-T508 WeakPolarHBondContact CB-OG1 3.41Å; L505-T508 PolarHBondContact O-OG1 3.28Å; L505-R512 PolarHBondContact O-NH1 3.37Å; L505-R512 PolarHBondContact O-NH2 3.46Å; L505-E696 HydrophobicContact CD1-CG 3.93Å; L505-E696 HydrophobicContact CG-CG 4.22Å
506P94.3Very high95.4Very high107 Ų10771.1 Ų71.170%0.69538%0.376SS*.G310 helixtrans-66.1-36.2-179.9-24.935.4000113.1F504 T508 S509F504-P506 VanDerWaalsContact O-CD 3.26Å; F504-P506 WeakPolarHBondContact O-CD 3.37Å; P506-T508 PolarHBondContact O-N 2.56Å; P506-S509 WeakPolarHBondContact O-CB 3.37Å; P506-S509 PolarHBondContact O-N 2.7Å; P506-S509 PolarHBondContact O-OG 3.4Å
507H94.4Very high95.5Very high125 Ų12575 Ų7558%0.57940%0.4SS*.G310 helixtrans-74.9-6.3-175.162.2-88.9000114.5L505L505-H507 VanDerWaalsContact C-N 3.34Å; L505-H507 PolarHBondContact O-N 3.08Å
508T95.8Very high95.6Very high9 Ų974.2 Ų74.26%0.05540%0.396CS..G310 helixtrans-114.914.1174.956.90000112.5L505 P506 E510 I511 R512 E699L505-T508 WeakPolarHBondContact CB-OG1 3.41Å; L505-T508 PolarHBondContact O-OG1 3.28Å; P506-T508 PolarHBondContact O-N 2.56Å; T508-E510 PolarHBondContact O-N 2.98Å; T508-E510 VanDerWaalsContact O-N 3.17Å; T508-I511 HydrophobicContact CG2-CD1 4.3Å; T508-I511 WeakPolarHBondContact O-CB 3.4Å; T508-I511 PolarHBondContact O-N 3.34Å; T508-R512 PolarHBondContact O-N 3.37Å; T508-R512 PolarHBondContact OG1-NH1 2.84Å; T508-R512 VanDerWaalsContact OG1-NH1 3.08Å; T508-E699 WeakPolarHBondContact CB-OE1 3.3Å; T508-E699 HydrophobicContact CG2-CG 4.01Å; T508-E699 PolarHBondContact OG1-OE1 3.44Å
509S95.8Very high95.6Very high42 Ų4270 Ų7029%0.29438%0.378SS..Hα-helixtrans-55.8-33.6-179520000113.4P506 I511 R512 M513P506-S509 WeakPolarHBondContact O-CB 3.37Å; P506-S509 PolarHBondContact O-N 2.7Å; P506-S509 PolarHBondContact O-OG 3.4Å; S509-I511 VanDerWaalsContact C-N 3.32Å; S509-I511 PolarHBondContact O-N 2.97Å; S509-R512 PolarHBondContact O-N 2.78Å; S509-R512 VanDerWaalsContact O-N 3.1Å; S509-M513 WeakPolarHBondContact O-CB 3.49Å; S509-M513 WeakPolarHBondContact O-CG 3.25Å; S509-M513 PolarHBondContact O-N 3.19Å
510E96.3Very high95.7Very high142 Ų14275.9 Ų75.966%0.66439%0.392SS*.Hα-helixtrans-59.1-36.5173.363.5-156.6-153.900113.9T508 R512 G514T508-E510 PolarHBondContact O-N 2.98Å; T508-E510 VanDerWaalsContact O-N 3.17Å; E510-R512 VanDerWaalsContact C-N 3.32Å; E510-G514 WeakPolarHBondContact O-CA 3.38Å; E510-G514 PolarHBondContact O-N 3.08Å
511I96.7Very high95.8Very high28 Ų2870.4 Ų70.414%0.14437%0.369CS..Hα-helixtrans-64.9-42.7174.5-64.5174.2000109.1T508 S509 W516 E699 H702 R761T508-I511 HydrophobicContact CG2-CD1 4.3Å; T508-I511 WeakPolarHBondContact O-CB 3.4Å; T508-I511 PolarHBondContact O-N 3.34Å; S509-I511 VanDerWaalsContact C-N 3.32Å; S509-I511 PolarHBondContact O-N 2.97Å; I511-W516 HydrophobicContact CG2-CZ2 3.94Å; I511-W516 PolarHBondContact O-NE1 3.48Å; I511-E699 HydrophobicContact CD1-CG 4.4Å; I511-H702 HydrophobicContact CG2-CB 3.57Å; I511-R761 PolarHBondContact O-NH2 3.29Å
512R95.4Very high95.9Very high44 Ų4467.3 Ų67.317%0.16635%0.354CS..Hα-helixtrans-71.8-36.4-176.5-60-159.2-64.8-77.7-0.9113.6L505 T508 S509 E510 E698 E699 K760 R761L505-R512 PolarHBondContact O-NH1 3.37Å; L505-R512 PolarHBondContact O-NH2 3.46Å; T508-R512 PolarHBondContact O-N 3.37Å; T508-R512 PolarHBondContact OG1-NH1 2.84Å; T508-R512 VanDerWaalsContact OG1-NH1 3.08Å; S509-R512 PolarHBondContact O-N 2.78Å; S509-R512 VanDerWaalsContact O-N 3.1Å; E510-R512 VanDerWaalsContact C-N 3.32Å; R512-E698 WeakPolarHBondContact CA-OE2 3.24Å; R512-E698 WeakPolarHBondContact CB-OE2 3.48Å; R512-E698 HydrophobicContact CG-CB 4.13Å; R512-E698 WeakPolarHBondContact CG-OE2 3.28Å; R512-E699 WeakPolarHBondContact CG-OE1 3.45Å; R512-E699 IonicContact CZ-OE1 3.12Å; R512-E699 IonicContact NH1-OE1 2.76Å; R512-E699 PolarHBondContact NH1-OE1 3Å; R512-K760 PolarHBondContact O-NZ 3.18Å; R512-R761 PolarHBondContact O-NH2 2.98Å
513M94.7Very high95.9Very high156 Ų15673.3 Ų73.377%0.76839%0.386SS*.Hα-helixtrans-84.3-19.3178.5-64.3179.7-175.300113.2S509S509-M513 WeakPolarHBondContact O-CB 3.49Å; S509-M513 WeakPolarHBondContact O-CG 3.25Å; S509-M513 PolarHBondContact O-N 3.19Å
514G94.6Very high95.9Very high25 Ų2570.4 Ų70.426%0.25837%0.37SS..SBendtrans-73.3154.8-178.700000114.3E510 R761E510-G514 WeakPolarHBondContact O-CA 3.38Å; E510-G514 PolarHBondContact O-N 3.08Å; G514-R761 PolarHBondContact O-NH1 3.41Å; G514-R761 PolarHBondContact O-NH2 3.35Å
515E95.7Very high96Very high184 Ų18468.5 Ų68.586%0.8636%0.362SS*.  trans-89.8108.1174.5-69.1-60.1131.800110.6
516W97.6Very high96.1Very high30 Ų3069.2 Ų69.211%0.11436%0.364CS..  trans-162.2158.5178.362-89.5000110.7I511 V518 E698 L701 H702 R705 R761I511-W516 HydrophobicContact CG2-CZ2 3.94Å; I511-W516 PolarHBondContact O-NE1 3.48Å; W516-V518 HydrophobicContact CZ3-CG1 4.23Å; W516-E698 WeakPolarHBondContact CH2-O 3.47Å; W516-E698 HydrophobicContact CZ2-CG 4.08Å; W516-E698 WeakPolarHBondContact CZ2-O 3.34Å; W516-L701 HydrophobicContact CH2-CB 3.72Å; W516-L701 HydrophobicContact CZ3-CB 4.2Å; W516-H702 AromaticContact CD2-CD2 3.88Å; W516-H702 AromaticContact CE2-CD2 3.78Å; W516-H702 HydrophobicContact CH2-CB 3.69Å; W516-H702 HydrophobicContact CZ2-CB 3.7Å; W516-H702 HydrophobicContact CZ3-CB 4.26Å; W516-R705 HydrophobicContact CZ3-CB 4.46Å; W516-R761 HydrophobicContact CH2-CB 4.3Å; W516-R761 HydrophobicContact CH2-CG 3.8Å; W516-R761 HydrophobicContact CZ2-CG 4.14Å; W516-R761 HydrophobicContact CZ3-CB 4.15Å; W516-R761 HydrophobicContact CZ3-CG 4.11Å; W516-R761 WeakPolarHBondContact O-CD 3.49Å; W516-R761 PolarHBondContact O-NH1 3.49Å
517T98Very high96.3Very high89 Ų8965.6 Ų65.655%0.54634%0.339SS..  trans-133.3160.9175.961.40000111.1R761T517-R761 CarbonylContact C-O 3.37Å; T517-R761 VanDerWaalsContact CA-O 3.22Å; T517-R761 WeakPolarHBondContact CA-O 3.37Å; T517-R761 VanDerWaalsContact CB-O 3.28Å; T517-R761 WeakPolarHBondContact CB-O 3.26Å
518V97.8Very high96.5Very high8 Ų859.7 Ų59.75%0.04831%0.311CS..PPolyproline II helixtrans-70.8166.4167.2-56.30000110.8W516 L701 R705 M708 R761 A763W516-V518 HydrophobicContact CZ3-CG1 4.23Å; V518-L701 HydrophobicContact CG1-CB 4.38Å; V518-L701 HydrophobicContact CG1-CD2 4.36Å; V518-R705 CarbonylContact C-O 3.52Å; V518-R705 WeakPolarHBondContact CA-O 3.42Å; V518-R705 HydrophobicContact CG1-CB 4.33Å; V518-M708 HydrophobicContact CG1-CB 4.16Å; V518-R761 PolarHBondContact N-O 3.08Å; V518-A763 HydrophobicContact CG1-CB 4.34Å; V518-A763 HydrophobicContact CG2-CB 3.77Å
519A96.2Very high96.6Very high35 Ų3560.3 Ų60.329%0.28931%0.313SS..PPolyproline II helixtrans-63.9139.6173.100000110.7A521 R683 R705 E706A519-A521 PolarHBondContact O-N 2.81Å; A519-R683 VanDerWaalsContact C-NH2 3.31Å; A519-R683 PolarHBondContact O-NH2 2.89Å; A519-R705 PolarHBondContact N-O 2.98Å; A519-E706 WeakPolarHBondContact CB-O 3.37Å
520K95.4Very high96.8Very high165 Ų16558.3 Ų58.372%0.71730%0.299SS*.PPolyproline II helixtrans-55.7130.8178.7-174.8-177.4-179.8-176.80111.2R683K520-R683 VanDerWaalsContact C-NH2 3.28Å; K520-R683 PolarHBondContact O-NH2 3.01Å
521A96.3Very high96.9Very high13 Ų1351.5 Ų51.511%0.10727%0.267CS..PPolyproline II helixtrans-53.7144.6177.800000112.4A519 L525 Q526 V709A519-A521 PolarHBondContact O-N 2.81Å; A521-L525 HydrophobicContact CB-CB 4.39Å; A521-Q526 PolarHBondContact O-NE2 3.38Å; A521-V709 HydrophobicContact CB-CG1 3.69Å; A521-V709 HydrophobicContact CB-CG2 4.46Å
522P96.4Very high96.9Very high23 Ų2350.3 Ų50.315%0.14926%0.261CS..PPolyproline II helixtrans-54.5157.3168.4-23.832.8000112.2D524 L525 Q526 Y649 R683P522-D524 VanDerWaalsContact C-N 3.28Å; P522-D524 WeakPolarHBondContact CB-OD1 3.41Å; P522-D524 PolarHBondContact O-N 3.26Å; P522-L525 HydrophobicContact CG-CD1 4.26Å; P522-L525 CarbonylContact O-C 3.57Å; P522-L525 PolarHBondContact O-N 3.5Å; P522-Q526 PolarHBondContact O-N 3.3Å; P522-Y649 HydrophobicContact CB-CE1 4.46Å; P522-Y649 WeakPolarHBondContact CB-OH 3.29Å; P522-Y649 HydrophobicContact CG-CE1 3.86Å; P522-Y649 WeakPolarHBondContact CG-OH 3.5Å; P522-R683 HydrophobicContact CG-CG 3.64Å
523N95.6Very high97Very high145 Ų14549 Ų4978%0.77526%0.257SS*.G310 helixtrans-57.4-41-174.9-73.5-15.6000112.7L525 Q526N523-L525 PolarHBondContact O-N 3.24Å; N523-Q526 PolarHBondContact O-N 3.12Å
524D96.8Very high96.8Very high40 Ų4041.9 Ų41.921%0.21423%0.225CC..G310 helixtrans-77.3-7.5-18064.9-20.5000113.5P522 V601 S646 Y649P522-D524 VanDerWaalsContact C-N 3.28Å; P522-D524 WeakPolarHBondContact CB-OD1 3.41Å; P522-D524 PolarHBondContact O-N 3.26Å; D524-V601 HydrophobicContact CB-CG2 3.85Å; D524-S646 WeakPolarHBondContact OD2-CA 3.36Å; D524-S646 VanDerWaalsContact OD2-CB 3.24Å; D524-S646 WeakPolarHBondContact OD2-CB 3.14Å; D524-S646 PolarHBondContact OD2-OG 3.07Å; D524-Y649 WeakPolarHBondContact OD1-CE2 3.24Å; D524-Y649 PolarHBondContact OD1-OH 3.06Å; D524-Y649 WeakPolarHBondContact OD2-CE2 3.44Å; D524-Y649 PolarHBondContact OD2-OH 3.36Å
525L97.7Very high96.7Very high0 Ų041.4 Ų41.40%022%0.217CC..G310 helixtrans-107.97.3171.9-68.6-176.4000113.5A521 P522 N523 D527 R528 T551 V601 M603 Y649 V709 H764A521-L525 HydrophobicContact CB-CB 4.39Å; P522-L525 HydrophobicContact CG-CD1 4.26Å; P522-L525 CarbonylContact O-C 3.57Å; P522-L525 PolarHBondContact O-N 3.5Å; N523-L525 PolarHBondContact O-N 3.24Å; L525-D527 VanDerWaalsContact C-N 3.31Å; L525-D527 PolarHBondContact O-N 2.93Å; L525-R528 HydrophobicContact CD2-CG 4.45Å; L525-R528 WeakPolarHBondContact O-CD 3.46Å; L525-R528 WeakPolarHBondContact O-CG 3.44Å; L525-T551 HydrophobicContact CD2-CG2 4.03Å; L525-V601 HydrophobicContact CD2-CG1 3.93Å; L525-M603 HydrophobicContact CD2-SD 4.04Å; L525-Y649 HydrophobicContact CD1-CD1 4.05Å; L525-Y649 HydrophobicContact CD1-CD2 3.6Å; L525-Y649 HydrophobicContact CD1-CE1 4.16Å; L525-Y649 HydrophobicContact CD1-CE2 3.72Å; L525-Y649 HydrophobicContact CD1-CG 3.76Å; L525-Y649 HydrophobicContact CD2-CD2 3.94Å; L525-Y649 HydrophobicContact CD2-CE2 4.12Å; L525-Y649 HydrophobicContact CG-CD2 3.84Å; L525-Y649 HydrophobicContact CG-CE2 3.65Å; L525-Y649 HydrophobicContact CG-CG 4.49Å; L525-V709 HydrophobicContact CB-CG1 4.36Å; L525-V709 HydrophobicContact CD1-CG1 4.32Å; L525-V709 HydrophobicContact CD1-CG2 4.19Å; L525-H764 PolarHBondContact O-CE1 3.04Å
526Q97.3Very high96.7Very high44 Ų4432.9 Ų32.921%0.20618%0.177CC..SBendtrans-69.6-28.3177.2-70.8-66.8-31.800113.1A521 P522 N523 N827A521-Q526 PolarHBondContact O-NE2 3.38Å; P522-Q526 PolarHBondContact O-N 3.3Å; N523-Q526 PolarHBondContact O-N 3.12Å; Q526-N827 PolarHBondContact O-ND2 3.3Å
527D98.2Very high96.5Very high30 Ų3035.4 Ų35.416%0.1619%0.193CC..  trans-122.8107.3179.8178.8-4.1000109.8L525 R529 K550 P826L525-D527 VanDerWaalsContact C-N 3.31Å; L525-D527 PolarHBondContact O-N 2.93Å; D527-R529 VanDerWaalsContact CG-NH2 3.29Å; D527-R529 IonicContact OD1-CZ 3.36Å; D527-R529 PolarHBondContact OD1-N 3.04Å; D527-R529 IonicContact OD1-NE 2.83Å; D527-R529 PolarHBondContact OD1-NE 2.8Å; D527-R529 IonicContact OD1-NH2 3.73Å; D527-R529 PolarHBondContact OD1-NH2 2.94Å; D527-R529 IonicContact OD2-CZ 2.77Å; D527-R529 IonicContact OD2-NE 3.6Å; D527-R529 PolarHBondContact OD2-NE 2.79Å; D527-R529 VanDerWaalsContact OD2-NE 3.13Å; D527-R529 IonicContact OD2-NH2 3.12Å; D527-R529 PolarHBondContact OD2-NH2 2.79Å; D527-K550 WeakPolarHBondContact O-CB 3.24Å; D527-K550 WeakPolarHBondContact OD2-CE 3.27Å; D527-K550 IonicContact OD2-NZ 3.94Å; D527-K550 PolarHBondContact OD2-NZ 3.04Å; D527-P826 WeakPolarHBondContact CA-O 3.36Å; D527-P826 HydrophobicContact CB-CB 4.1Å
528R98.3Very high96.5Very high1 Ų133.9 Ų33.90%0.00418%0.177CC..  trans-123.827.5-175.8-63.1174.961.1-169.70.6112L525 V530 E531 T551 Y651 T685 H764 I766 G803L525-R528 HydrophobicContact CD2-CG 4.45Å; L525-R528 WeakPolarHBondContact O-CD 3.46Å; L525-R528 WeakPolarHBondContact O-CG 3.44Å; R528-V530 PolarHBondContact O-N 3.02Å; R528-E531 IonicContact CZ-OE1 3.5Å; R528-E531 IonicContact NE-OE1 3.69Å; R528-E531 PolarHBondContact NE-OE1 2.92Å; R528-E531 IonicContact NH2-OE1 2.86Å; R528-E531 PolarHBondContact NH2-OE1 3.14Å; R528-E531 IonicContact NH2-OE2 3.49Å; R528-E531 PolarHBondContact NH2-OE2 3.38Å; R528-T551 HydrophobicContact CG-CG2 3.99Å; R528-Y651 PolarHBondContact NH2-OH 3.42Å; R528-T685 PolarHBondContact NH1-OG1 3.33Å; R528-T685 PolarHBondContact NH2-OG1 2.85Å; R528-H764 WeakPolarHBondContact CD-ND1 3.31Å; R528-I766 HydrophobicContact CB-CD1 4.11Å; R528-G803 WeakPolarHBondContact O-CA 3.33Å
529R98.2Very high96.3Very high22 Ų2235.9 Ų35.98%0.08319%0.185CC..SBendtrans-55.4-31.3-167.273.9-174.571.1-148.5-7.9114.8D527 K550 D802 G803 T804 M816 F819 N820 M823 Q825D527-R529 VanDerWaalsContact CG-NH2 3.29Å; D527-R529 IonicContact OD1-CZ 3.36Å; D527-R529 PolarHBondContact OD1-N 3.04Å; D527-R529 IonicContact OD1-NE 2.83Å; D527-R529 PolarHBondContact OD1-NE 2.8Å; D527-R529 IonicContact OD1-NH2 3.73Å; D527-R529 PolarHBondContact OD1-NH2 2.94Å; D527-R529 IonicContact OD2-CZ 2.77Å; D527-R529 IonicContact OD2-NE 3.6Å; D527-R529 PolarHBondContact OD2-NE 2.79Å; D527-R529 VanDerWaalsContact OD2-NE 3.13Å; D527-R529 IonicContact OD2-NH2 3.12Å; D527-R529 PolarHBondContact OD2-NH2 2.79Å; R529-K550 HydrophobicContact CG-CG 4.04Å; R529-D802 WeakPolarHBondContact CA-O 3.35Å; R529-G803 CarbonylContact O-C 3.39Å; R529-G803 VanDerWaalsContact O-CA 3.25Å; R529-G803 WeakPolarHBondContact O-CA 3.18Å; R529-T804 PolarHBondContact O-N 3.36Å; R529-T804 VanDerWaalsContact O-N 3.12Å; R529-M816 WeakPolarHBondContact CD-SD 3.43Å; R529-M816 HydrophobicContact CG-CE 4.36Å; R529-M816 HydrophobicContact CG-SD 3.49Å; R529-M816 WeakPolarHBondContact CG-SD 3.46Å; R529-F819 HydrophobicContact CB-CB 3.98Å; R529-F819 HydrophobicContact CB-CD1 4.29Å; R529-F819 HydrophobicContact CB-CG 4.39Å; R529-F819 HydrophobicContact CG-CB 4.47Å; R529-N820 WeakPolarHBondContact CD-OD1 3.33Å; R529-N820 PolarHBondContact NH1-OD1 3.29Å; R529-M823 HydrophobicContact CB-CE 3.45Å; R529-M823 VanDerWaalsContact CB-CE 3.45Å; R529-M823 PolarHBondContact NH1-O 3.44Å; R529-Q825 PolarHBondContact NH2-O 2.96Å
530V98.6Very high96.3Very high0 Ų037.5 Ų37.50%019%0.188CC..EExtended strand (participates in β ladder)trans-137.5128170-177.90000109R528 A549 K550 T804 V806 V812 A815 M816R528-V530 PolarHBondContact O-N 3.02Å; V530-A549 HydrophobicContact CG1-CB 4.45Å; V530-K550 PolarHBondContact O-N 3.02Å; V530-T804 WeakPolarHBondContact CA-O 3.28Å; V530-T804 HydrophobicContact CG2-CG2 4.35Å; V530-V806 HydrophobicContact CG1-CG2 4.04Å; V530-V812 HydrophobicContact CG1-CG1 4.26Å; V530-V812 HydrophobicContact CG1-CG2 4.39Å; V530-A815 HydrophobicContact CG1-CB 4.15Å; V530-A815 HydrophobicContact CG2-CB 3.7Å; V530-M816 HydrophobicContact CB-CE 3.9Å; V530-M816 HydrophobicContact CG2-CB 4.13Å; V530-M816 HydrophobicContact CG2-CE 3.98Å; V530-M816 HydrophobicContact CG2-SD 4.18Å
531E98.7Very high96.4Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-115.7135.7172.7-35-157.3120.200108.8R528 T551 Y651 I766 T804 W805 V806R528-E531 IonicContact CZ-OE1 3.5Å; R528-E531 IonicContact NE-OE1 3.69Å; R528-E531 PolarHBondContact NE-OE1 2.92Å; R528-E531 IonicContact NH2-OE1 2.86Å; R528-E531 PolarHBondContact NH2-OE1 3.14Å; R528-E531 IonicContact NH2-OE2 3.49Å; R528-E531 PolarHBondContact NH2-OE2 3.38Å; E531-T551 WeakPolarHBondContact CA-O 3.11Å; E531-T551 WeakPolarHBondContact CB-OG1 3.46Å; E531-T551 WeakPolarHBondContact CG-OG1 3.37Å; E531-T551 PolarHBondContact OE1-OG1 3.44Å; E531-Y651 WeakPolarHBondContact OE2-CE2 3.5Å; E531-Y651 VanDerWaalsContact OE2-CZ 3.26Å; E531-Y651 PolarHBondContact OE2-OH 3.37Å; E531-I766 HydrophobicContact CG-CG2 4.46Å; E531-T804 PolarHBondContact N-O 3.15Å; E531-W805 WeakPolarHBondContact O-CA 3.37Å; E531-W805 PolarHBondContact OE2-NE1 3.02Å; E531-V806 PolarHBondContact O-N 2.79Å
532I98.1Very high96.5Very high3 Ų329 Ų292%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-98.7138.6170.3-169.6163.9000109.6A544 A549 T551 F552 M553 V806 P809 V812I532-A544 HydrophobicContact CG2-CB 4.01Å; I532-A549 HydrophobicContact CB-CB 4.02Å; I532-A549 HydrophobicContact CG2-CB 3.85Å; I532-T551 PolarHBondContact N-O 2.98Å; I532-F552 HydrophobicContact CG2-CB 3.93Å; I532-F552 HydrophobicContact CG2-CD2 4.02Å; I532-F552 HydrophobicContact CG2-CG 4.32Å; I532-F552 CarbonylContact O-C 3.41Å; I532-F552 WeakPolarHBondContact O-CA 3.06Å; I532-M553 PolarHBondContact O-N 3.33Å; I532-V806 WeakPolarHBondContact CA-O 3.43Å; I532-V806 HydrophobicContact CB-CG2 4.26Å; I532-V806 HydrophobicContact CG1-CG2 4.3Å; I532-P809 HydrophobicContact CD1-CB 4.34Å; I532-P809 HydrophobicContact CD1-CG 3.8Å; I532-V812 HydrophobicContact CD1-CG2 4.37Å
533T96.8Very high96.5Very high15 Ų1530.1 Ų30.19%0.09215%0.153CC..EExtended strand (participates in β ladder)trans-107.3150.6171.1730000109.9M553 M769 W805 V806T533-M553 HydrophobicContact CG2-CB 4.22Å; T533-M553 HydrophobicContact CG2-CE 3.57Å; T533-M553 HydrophobicContact CG2-SD 4.42Å; T533-M769 HydrophobicContact CG2-CE 3.66Å; T533-M769 WeakPolarHBondContact OG1-CE 3.44Å; T533-W805 HydrophobicContact CG2-CD2 3.71Å; T533-W805 HydrophobicContact CG2-CE3 3.86Å; T533-W805 HydrophobicContact CG2-CG 4.09Å; T533-W805 HydrophobicContact CG2-CH2 4.33Å; T533-W805 HydrophobicContact CG2-CZ2 4.25Å; T533-W805 HydrophobicContact CG2-CZ3 4.18Å; T533-V806 PolarHBondContact N-O 2.75Å
534G90.9Very high96.6Very high8 Ų823.5 Ų23.58%0.08212%0.119CC..EExtended strand (participates in β ladder)trans-176.8166.9176.100000115.1M553 D555G534-M553 PolarHBondContact N-O 2.7Å; G534-D555 WeakPolarHBondContact O-CB 3.46Å; G534-D555 PolarHBondContact O-N 3.17Å; G534-D555 VanDerWaalsContact O-N 3.13Å
535P92.3Very high96.6Very high15 Ų1522.2 Ų22.210%0.09711%0.111CC..  trans-73.5173.6-176.633.2-36.8000111.5D537 M540 C876P535-D537 VanDerWaalsContact C-N 3.35Å; P535-M540 HydrophobicContact CG-CB 4.01Å; P535-M540 HydrophobicContact CG-CE 4.41Å; P535-M540 HydrophobicContact CG-CG 4.11Å; P535-C876 HydrophobicContact CB-CB 4.01Å; P535-C876 HydrophobicContact CG-CB 3.84Å
536L95.9Very high96.6Very high5 Ų525 Ų253%0.02613%0.126CC..  trans-90.56-174.6-65.8159.5000114.4R538 A554 D555 F556 N573 L574L536-R538 PolarHBondContact O-N 3.13Å; L536-A554 HydrophobicContact CD2-CB 3.99Å; L536-D555 WeakPolarHBondContact CD1-O 3.41Å; L536-D555 WeakPolarHBondContact CG-O 3.22Å; L536-F556 HydrophobicContact CD1-CB 4.22Å; L536-F556 HydrophobicContact CD1-CD1 3.33Å; L536-F556 HydrophobicContact CD1-CD2 3.67Å; L536-F556 HydrophobicContact CD1-CE1 3.37Å; L536-F556 HydrophobicContact CD1-CE2 3.72Å; L536-F556 HydrophobicContact CD1-CG 3.48Å; L536-F556 VanDerWaalsContact CD1-CG 3.48Å; L536-F556 HydrophobicContact CD1-CZ 3.56Å; L536-F556 HydrophobicContact CD2-CD2 4.12Å; L536-F556 HydrophobicContact CD2-CE1 4.5Å; L536-F556 HydrophobicContact CD2-CE2 3.62Å; L536-F556 HydrophobicContact CD2-CZ 3.83Å; L536-F556 HydrophobicContact CG-CD2 4.46Å; L536-F556 HydrophobicContact CG-CE2 4.31Å; L536-F556 HydrophobicContact CG-CZ 4.35Å; L536-N573 PolarHBondContact O-ND2 3.46Å; L536-L574 HydrophobicContact CD2-CD1 3.98Å; L536-L574 HydrophobicContact CD2-CD2 4.35Å; L536-L574 HydrophobicContact CD2-CG 4.1Å
537D93.9Very high96.6Very high82 Ų8223.7 Ų23.744%0.43912%0.122SC..  trans-57.1138.3172.2168.3-97.4000110.6P535 K539 M540 V541P535-D537 VanDerWaalsContact C-N 3.35Å; D537-K539 VanDerWaalsContact C-N 3.32Å; D537-K539 PolarHBondContact O-N 3.48Å; D537-K539 WeakPolarHBondContact OD1-CA 3.41Å; D537-K539 VanDerWaalsContact OD1-CB 3.29Å; D537-K539 WeakPolarHBondContact OD1-CB 3.42Å; D537-K539 PolarHBondContact OD1-N 3.21Å; D537-M540 HydrophobicContact CB-CB 4.1Å; D537-M540 HydrophobicContact CB-CG 4.04Å; D537-M540 PolarHBondContact O-N 3.17Å; D537-M540 PolarHBondContact OD1-N 2.88Å; D537-V541 WeakPolarHBondContact O-CG2 3.24Å; D537-V541 PolarHBondContact O-N 3.48Å
538R96.1Very high96.5Very high57 Ų5724.8 Ų24.822%0.21514%0.14CC..Hα-helixtrans-59.5-40.7-170.7-164172.9-174.787.9-5.8112.9L536 I542 N573 D576 I582 E583 Y584L536-R538 PolarHBondContact O-N 3.13Å; R538-I542 WeakPolarHBondContact O-CD1 2.86Å; R538-I542 WeakPolarHBondContact O-CG1 3.24Å; R538-I542 PolarHBondContact O-N 3.36Å; R538-N573 WeakPolarHBondContact CG-OD1 3.27Å; R538-N573 PolarHBondContact N-ND2 2.87Å; R538-N573 PolarHBondContact NH1-OD1 2.94Å; R538-D576 IonicContact CZ-OD2 2.68Å; R538-D576 VanDerWaalsContact CZ-OD2 3.28Å; R538-D576 IonicContact NH1-OD2 3.72Å; R538-D576 PolarHBondContact NH1-OD2 2.85Å; R538-D576 IonicContact NH2-OD2 3.26Å; R538-D576 PolarHBondContact NH2-OD2 3.03Å; R538-I582 HydrophobicContact CG-CD1 3.95Å; R538-I582 HydrophobicContact CG-CG1 3.9Å; R538-E583 PolarHBondContact NE-O 2.96Å; R538-Y584 HydrophobicContact CB-CD2 4.4Å
539K95.6Very high96.5Very high51 Ų5125.1 Ų25.122%0.22214%0.143CC..Hα-helixtrans-69.3-42.4177.6-175-173.1-176.7171.50110.4D537 I542 N543 Y584 D586D537-K539 VanDerWaalsContact C-N 3.32Å; D537-K539 PolarHBondContact O-N 3.48Å; D537-K539 WeakPolarHBondContact OD1-CA 3.41Å; D537-K539 VanDerWaalsContact OD1-CB 3.29Å; D537-K539 WeakPolarHBondContact OD1-CB 3.42Å; D537-K539 PolarHBondContact OD1-N 3.21Å; K539-I542 PolarHBondContact O-N 3.43Å; K539-N543 VanDerWaalsContact O-CG 3.3Å; K539-N543 PolarHBondContact O-N 3.01Å; K539-N543 PolarHBondContact O-ND2 3.06Å; K539-Y584 HydrophobicContact CB-CD1 3.65Å; K539-Y584 HydrophobicContact CB-CD2 4.33Å; K539-Y584 HydrophobicContact CB-CE1 3.76Å; K539-Y584 HydrophobicContact CB-CE2 4.41Å; K539-Y584 HydrophobicContact CB-CG 3.95Å; K539-Y584 HydrophobicContact CD-CD1 4.06Å; K539-Y584 HydrophobicContact CD-CE1 3.58Å; K539-Y584 HydrophobicContact CG-CD1 3.7Å; K539-Y584 HydrophobicContact CG-CE1 3.75Å; K539-Y584 HydrophobicContact CG-CG 4.45Å; K539-D586 IonicContact NZ-OD2 2.8Å; K539-D586 PolarHBondContact NZ-OD2 2.73Å
540M94.9Very high96.5Very high69 Ų6927.9 Ų27.934%0.3416%0.156SC..Hα-helixtrans-66-41.4180-65.6-61.1-73.800112.3P535 D537 I542 N543 A544P535-M540 HydrophobicContact CG-CB 4.01Å; P535-M540 HydrophobicContact CG-CE 4.41Å; P535-M540 HydrophobicContact CG-CG 4.11Å; D537-M540 HydrophobicContact CB-CB 4.1Å; D537-M540 HydrophobicContact CB-CG 4.04Å; D537-M540 PolarHBondContact O-N 3.17Å; D537-M540 PolarHBondContact OD1-N 2.88Å; M540-I542 PolarHBondContact O-N 2.97Å; M540-N543 PolarHBondContact O-N 3.05Å; M540-A544 WeakPolarHBondContact O-CB 3.43Å; M540-A544 PolarHBondContact O-N 3.3Å
541V97.8Very high96.5Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-55.3-49.8173167.70000110.7D537 N543 A544 F545 F552 L574 A577 I582D537-V541 WeakPolarHBondContact O-CG2 3.24Å; D537-V541 PolarHBondContact O-N 3.48Å; V541-N543 PolarHBondContact O-N 3.35Å; V541-A544 PolarHBondContact O-N 3.41Å; V541-F545 HydrophobicContact CG1-CD2 3.73Å; V541-F545 HydrophobicContact CG1-CE2 3.61Å; V541-F545 WeakPolarHBondContact O-CD2 3.06Å; V541-F545 PolarHBondContact O-N 2.85Å; V541-F552 HydrophobicContact CB-CE1 4.41Å; V541-F552 HydrophobicContact CG1-CE1 4.13Å; V541-F552 HydrophobicContact CG2-CE1 4.39Å; V541-F552 HydrophobicContact CG2-CZ 4.31Å; V541-L574 HydrophobicContact CG1-CD2 4.38Å; V541-A577 HydrophobicContact CG1-CB 4.36Å; V541-I582 HydrophobicContact CB-CD1 4.1Å; V541-I582 HydrophobicContact CG1-CD1 3.58Å
542I97.9Very high96.5Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-62-45179-63.3161.2000111.2R538 K539 M540 A544 F545 N546 I582 A594R538-I542 WeakPolarHBondContact O-CD1 2.86Å; R538-I542 WeakPolarHBondContact O-CG1 3.24Å; R538-I542 PolarHBondContact O-N 3.36Å; K539-I542 PolarHBondContact O-N 3.43Å; M540-I542 PolarHBondContact O-N 2.97Å; I542-A544 VanDerWaalsContact C-N 3.32Å; I542-A544 PolarHBondContact O-N 3.22Å; I542-F545 PolarHBondContact O-N 2.56Å; I542-N546 WeakPolarHBondContact O-CB 3.45Å; I542-N546 VanDerWaalsContact O-CG 3.29Å; I542-N546 PolarHBondContact O-N 2.8Å; I542-N546 PolarHBondContact O-ND2 2.78Å; I542-I582 HydrophobicContact CD1-CD1 4.45Å; I542-I582 HydrophobicContact CD1-CG1 4.11Å; I542-I582 HydrophobicContact CG1-CD1 3.92Å; I542-I582 HydrophobicContact CG1-CG1 3.97Å; I542-I582 HydrophobicContact CG1-CG2 4.02Å; I542-A594 WeakPolarHBondContact CG2-O 3.15Å
543N96.6Very high96.5Very high46 Ų4627.9 Ų27.925%0.24616%0.156CC..Hα-helixtrans-64.2-37.6180-72.5-27.7000112.3K539 M540 V541 N546 S547 Y593K539-N543 VanDerWaalsContact O-CG 3.3Å; K539-N543 PolarHBondContact O-N 3.01Å; K539-N543 PolarHBondContact O-ND2 3.06Å; M540-N543 PolarHBondContact O-N 3.05Å; V541-N543 PolarHBondContact O-N 3.35Å; N543-N546 CarbonylContact O-C 3.5Å; N543-N546 PolarHBondContact O-N 2.84Å; N543-S547 PolarHBondContact O-N 2.9Å; N543-Y593 WeakPolarHBondContact OD1-CD1 3.15Å
544A97.2Very high96.6Very high6 Ų627.1 Ų27.15%0.0515%0.151CC..Hα-helixtrans-67.8-46.3177.900000111.4I532 M540 V541 I542 N546 S547 F552I532-A544 HydrophobicContact CG2-CB 4.01Å; M540-A544 WeakPolarHBondContact O-CB 3.43Å; M540-A544 PolarHBondContact O-N 3.3Å; V541-A544 PolarHBondContact O-N 3.41Å; I542-A544 VanDerWaalsContact C-N 3.32Å; I542-A544 PolarHBondContact O-N 3.22Å; A544-N546 PolarHBondContact O-N 2.71Å; A544-S547 VanDerWaalsContact O-CB 3.26Å; A544-S547 WeakPolarHBondContact O-CB 3.42Å; A544-S547 PolarHBondContact O-N 3.1Å; A544-S547 VanDerWaalsContact O-N 3.16Å; A544-S547 PolarHBondContact O-OG 3.36Å; A544-F552 HydrophobicContact CB-CD1 3.96Å; A544-F552 HydrophobicContact CB-CD2 3.42Å; A544-F552 VanDerWaalsContact CB-CD2 3.42Å; A544-F552 HydrophobicContact CB-CE1 3.98Å; A544-F552 HydrophobicContact CB-CE2 3.46Å; A544-F552 VanDerWaalsContact CB-CE2 3.46Å; A544-F552 HydrophobicContact CB-CG 3.69Å; A544-F552 HydrophobicContact CB-CZ 3.75Å
545F98Very high97Very high12 Ų1226.8 Ų26.85%0.05315%0.147CC..Hα-helixtrans-56.1-38.5172-85.8-61.4000112.8V541 I542 F552 A577 L595 P599 A600 L602V541-F545 HydrophobicContact CG1-CD2 3.73Å; V541-F545 HydrophobicContact CG1-CE2 3.61Å; V541-F545 WeakPolarHBondContact O-CD2 3.06Å; V541-F545 PolarHBondContact O-N 2.85Å; I542-F545 PolarHBondContact O-N 2.56Å; F545-F552 HydrophobicContact CD1-CD1 4.12Å; F545-F552 AromaticContact CD2-CD1 3.95Å; F545-F552 HydrophobicContact CD2-CD1 3.95Å; F545-F552 HydrophobicContact CD2-CE1 4.15Å; F545-F552 HydrophobicContact CE1-CD1 4.09Å; F545-F552 AromaticContact CE2-CD1 3.89Å; F545-F552 HydrophobicContact CE2-CD1 3.89Å; F545-F552 AromaticContact CE2-CE1 3.99Å; F545-F552 HydrophobicContact CE2-CE1 3.99Å; F545-F552 HydrophobicContact CG-CD1 4.06Å; F545-F552 AromaticContact CZ-CD1 3.98Å; F545-F552 HydrophobicContact CZ-CD1 3.98Å; F545-F552 HydrophobicContact CZ-CE1 4.42Å; F545-A577 HydrophobicContact CD2-CB 4.37Å; F545-A577 HydrophobicContact CE2-CB 3.58Å; F545-A577 HydrophobicContact CZ-CB 4.17Å; F545-L595 HydrophobicContact CB-CD2 3.54Å; F545-L595 HydrophobicContact CD2-CD2 3.69Å; F545-L595 HydrophobicContact CG-CD2 3.76Å; F545-P599 HydrophobicContact CB-CB 3.99Å; F545-P599 HydrophobicContact CD1-CB 3.78Å; F545-P599 HydrophobicContact CG-CB 4.2Å; F545-P599 WeakPolarHBondContact O-CA 3.36Å; F545-A600 WeakPolarHBondContact CD1-O 3.41Å; F545-A600 VanDerWaalsContact CE1-O 3.26Å; F545-A600 WeakPolarHBondContact CE1-O 3.37Å; F545-A600 PolarHBondContact O-N 3.29Å; F545-L602 HydrophobicContact CE1-CB 3.95Å; F545-L602 HydrophobicContact CE1-CD1 4.42Å; F545-L602 HydrophobicContact CZ-CB 3.95Å; F545-L602 HydrophobicContact CZ-CD1 3.86Å; F545-L602 HydrophobicContact CZ-CD2 4.18Å; F545-L602 HydrophobicContact CZ-CG 4.21Å
546N97.6Very high97.3Very high58 Ų5826.1 Ų26.131%0.3114%0.143SC..THydrogen-bonded Turntrans-91.17.4-177.5-67.8-16.6000114.2I542 N543 A544 G548 A594 S596I542-N546 WeakPolarHBondContact O-CB 3.45Å; I542-N546 VanDerWaalsContact O-CG 3.29Å; I542-N546 PolarHBondContact O-N 2.8Å; I542-N546 PolarHBondContact O-ND2 2.78Å; N543-N546 CarbonylContact O-C 3.5Å; N543-N546 PolarHBondContact O-N 2.84Å; A544-N546 PolarHBondContact O-N 2.71Å; N546-G548 PolarHBondContact O-N 3.44Å; N546-A594 PolarHBondContact ND2-O 2.91Å; N546-S596 VanDerWaalsContact OD1-CB 3.24Å; N546-S596 WeakPolarHBondContact OD1-CB 3.47Å; N546-S596 PolarHBondContact OD1-N 3.41Å; N546-S596 PolarHBondContact OD1-OG 3.32Å
547S96.8Very high97.4Very high18 Ų1826.1 Ų26.113%0.12614%0.143CC..SBendtrans-71.4-16.6-173.365.80000114.2N543 A544 A549N543-S547 PolarHBondContact O-N 2.9Å; A544-S547 VanDerWaalsContact O-CB 3.26Å; A544-S547 WeakPolarHBondContact O-CB 3.42Å; A544-S547 PolarHBondContact O-N 3.1Å; A544-S547 VanDerWaalsContact O-N 3.16Å; A544-S547 PolarHBondContact O-OG 3.36Å; S547-A549 VanDerWaalsContact C-N 3.34Å; S547-A549 WeakPolarHBondContact OG-CB 3.43Å; S547-A549 PolarHBondContact OG-N 3.02Å
548G96.9Very high97.5Very high53 Ų5322.7 Ų22.755%0.54612%0.124SC..SBendtrans861.4-170.500000114.1N546 M816N546-G548 PolarHBondContact O-N 3.44Å; G548-M816 VanDerWaalsContact O-CE 3.28Å; G548-M816 WeakPolarHBondContact O-CE 3.29Å
549A98.1Very high97.5Very high8 Ų820.2 Ų20.27%0.06612%0.116CC..  trans-65.3157.4171.600000110.6V530 I532 S547 T551 A600 V812V530-A549 HydrophobicContact CG1-CB 4.45Å; I532-A549 HydrophobicContact CB-CB 4.02Å; I532-A549 HydrophobicContact CG2-CB 3.85Å; S547-A549 VanDerWaalsContact C-N 3.34Å; S547-A549 WeakPolarHBondContact OG-CB 3.43Å; S547-A549 PolarHBondContact OG-N 3.02Å; A549-T551 WeakPolarHBondContact CB-O 3.37Å; A549-A600 WeakPolarHBondContact O-CB 3.34Å; A549-V812 HydrophobicContact CB-CG1 4.27Å; A549-V812 HydrophobicContact CB-CG2 4.18Å
550K98.4Very high97.5Very high80 Ų8018.1 Ų18.135%0.34811%0.107SC..SBendtrans-73.5-39.5175.2-67-66.4-178.9158.50111.2D527 R529 V530 V601 M816D527-K550 WeakPolarHBondContact O-CB 3.24Å; D527-K550 WeakPolarHBondContact OD2-CE 3.27Å; D527-K550 IonicContact OD2-NZ 3.94Å; D527-K550 PolarHBondContact OD2-NZ 3.04Å; R529-K550 HydrophobicContact CG-CG 4.04Å; V530-K550 PolarHBondContact O-N 3.02Å; K550-V601 PolarHBondContact O-N 3.43Å; K550-M816 HydrophobicContact CG-CE 4.42Å
551T98.6Very high97.6Very high1 Ų114.9 Ų14.91%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-131151.5178.963.20000110.6L525 R528 E531 I532 A549 V601L525-T551 HydrophobicContact CD2-CG2 4.03Å; R528-T551 HydrophobicContact CG-CG2 3.99Å; E531-T551 WeakPolarHBondContact CA-O 3.11Å; E531-T551 WeakPolarHBondContact CB-OG1 3.46Å; E531-T551 WeakPolarHBondContact CG-OG1 3.37Å; E531-T551 PolarHBondContact OE1-OG1 3.44Å; I532-T551 PolarHBondContact N-O 2.98Å; A549-T551 WeakPolarHBondContact CB-O 3.37Å; T551-V601 CarbonylContact C-O 3.57Å; T551-V601 WeakPolarHBondContact CA-O 3.33Å; T551-V601 HydrophobicContact CG2-CB 4.2Å
552F98.5Very high97.5Very high0 Ų015.1 Ų15.10%09%0.093CC..EExtended strand (participates in β ladder)trans-121.1118.3171.7163.2-139.9000108.3I532 V541 A544 F545 A554 A600 V601 L602 M603I532-F552 HydrophobicContact CG2-CB 3.93Å; I532-F552 HydrophobicContact CG2-CD2 4.02Å; I532-F552 HydrophobicContact CG2-CG 4.32Å; I532-F552 CarbonylContact O-C 3.41Å; I532-F552 WeakPolarHBondContact O-CA 3.06Å; V541-F552 HydrophobicContact CB-CE1 4.41Å; V541-F552 HydrophobicContact CG1-CE1 4.13Å; V541-F552 HydrophobicContact CG2-CE1 4.39Å; V541-F552 HydrophobicContact CG2-CZ 4.31Å; A544-F552 HydrophobicContact CB-CD1 3.96Å; A544-F552 HydrophobicContact CB-CD2 3.42Å; A544-F552 VanDerWaalsContact CB-CD2 3.42Å; A544-F552 HydrophobicContact CB-CE1 3.98Å; A544-F552 HydrophobicContact CB-CE2 3.46Å; A544-F552 VanDerWaalsContact CB-CE2 3.46Å; A544-F552 HydrophobicContact CB-CG 3.69Å; A544-F552 HydrophobicContact CB-CZ 3.75Å; F545-F552 HydrophobicContact CD1-CD1 4.12Å; F545-F552 AromaticContact CD2-CD1 3.95Å; F545-F552 HydrophobicContact CD2-CD1 3.95Å; F545-F552 HydrophobicContact CD2-CE1 4.15Å; F545-F552 HydrophobicContact CE1-CD1 4.09Å; F545-F552 AromaticContact CE2-CD1 3.89Å; F545-F552 HydrophobicContact CE2-CD1 3.89Å; F545-F552 AromaticContact CE2-CE1 3.99Å; F545-F552 HydrophobicContact CE2-CE1 3.99Å; F545-F552 HydrophobicContact CG-CD1 4.06Å; F545-F552 AromaticContact CZ-CD1 3.98Å; F545-F552 HydrophobicContact CZ-CD1 3.98Å; F545-F552 HydrophobicContact CZ-CE1 4.42Å; F552-A554 HydrophobicContact CE1-CB 3.86Å; F552-A554 HydrophobicContact CE2-CB 4.22Å; F552-A554 HydrophobicContact CZ-CB 3.65Å; F552-A554 PolarHBondContact O-N 2.87Å; F552-A600 HydrophobicContact CB-CB 4.03Å; F552-V601 PolarHBondContact N-O 3.14Å; F552-L602 HydrophobicContact CD1-CD1 4.07Å; F552-L602 HydrophobicContact CE1-CD1 4.31Å; F552-M603 PolarHBondContact O-N 2.97Å
553M98.7Very high97.3Very high1 Ų115.5 Ų15.51%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-87.6102169.7-172.7-175.381.600109.9I532 T533 G534 D555 M603 R605 Y651 W805I532-M553 PolarHBondContact O-N 3.33Å; T533-M553 HydrophobicContact CG2-CB 4.22Å; T533-M553 HydrophobicContact CG2-CE 3.57Å; T533-M553 HydrophobicContact CG2-SD 4.42Å; G534-M553 PolarHBondContact N-O 2.7Å; M553-D555 HydrophobicContact CE-CB 4.44Å; M553-M603 CarbonylContact C-O 3.56Å; M553-M603 VanDerWaalsContact CA-O 3.26Å; M553-M603 WeakPolarHBondContact CA-O 3.35Å; M553-R605 HydrophobicContact CE-CB 4.17Å; M553-R605 VanDerWaalsContact CE-NE 3.31Å; M553-R605 HydrophobicContact CG-CB 3.91Å; M553-R605 HydrophobicContact SD-CB 3.79Å; M553-R605 HydrophobicContact SD-CG 4.32Å; M553-Y651 HydrophobicContact CB-CD2 4.21Å; M553-Y651 HydrophobicContact CG-CD2 3.74Å; M553-Y651 HydrophobicContact CG-CG 4.27Å; M553-Y651 HydrophobicContact SD-CD1 4.4Å; M553-Y651 HydrophobicContact SD-CD2 3.45Å; M553-Y651 WeakPolarHBondContact SD-CD2 3.38Å; M553-Y651 HydrophobicContact SD-CE2 4.16Å; M553-Y651 HydrophobicContact SD-CG 3.57Å; M553-Y651 VanDerWaalsContact SD-CG 3.57Å; M553-W805 HydrophobicContact CE-CH2 3.68Å; M553-W805 HydrophobicContact CE-CZ2 4.09Å; M553-W805 HydrophobicContact CE-CZ3 4.27Å; M553-W805 HydrophobicContact SD-CH2 3.51Å; M553-W805 VanDerWaalsContact SD-CH2 3.51Å; M553-W805 HydrophobicContact SD-CZ2 3.46Å; M553-W805 WeakPolarHBondContact SD-CZ2 2.85Å
554A98.6Very high97.1Very high0 Ų013.5 Ų13.50%08%0.084CC..EExtended strand (participates in β ladder)trans-76.8124.2171.300000109.7L536 F552 L574 L602 M603 V604 R605L536-A554 HydrophobicContact CD2-CB 3.99Å; F552-A554 HydrophobicContact CE1-CB 3.86Å; F552-A554 HydrophobicContact CE2-CB 4.22Å; F552-A554 HydrophobicContact CZ-CB 3.65Å; F552-A554 PolarHBondContact O-N 2.87Å; A554-L574 HydrophobicContact CB-CD1 4.02Å; A554-L574 HydrophobicContact CB-CD2 3.75Å; A554-L574 HydrophobicContact CB-CG 4.49Å; A554-L602 HydrophobicContact CB-CD1 3.7Å; A554-M603 PolarHBondContact N-O 3.48Å; A554-V604 WeakPolarHBondContact O-CA 3.44Å; A554-R605 PolarHBondContact O-N 3.27Å
555D98.5Very high96.8Very high0 Ų018.9 Ų18.90%011%0.108CC..EExtended strand (participates in β ladder)trans-112.9114.3-161.3-171.624.9000113.1G534 L536 M553 E557 S559 N560 R605G534-D555 WeakPolarHBondContact O-CB 3.46Å; G534-D555 PolarHBondContact O-N 3.17Å; G534-D555 VanDerWaalsContact O-N 3.13Å; L536-D555 WeakPolarHBondContact CD1-O 3.41Å; L536-D555 WeakPolarHBondContact CG-O 3.22Å; M553-D555 HydrophobicContact CE-CB 4.44Å; D555-E557 VanDerWaalsContact C-N 3.33Å; D555-E557 WeakPolarHBondContact OD1-CA 3.44Å; D555-E557 WeakPolarHBondContact OD1-CB 3.37Å; D555-E557 PolarHBondContact OD1-N 3.46Å; D555-S559 VanDerWaalsContact CB-OG 3.31Å; D555-S559 WeakPolarHBondContact CB-OG 3.27Å; D555-S559 VanDerWaalsContact CG-OG 3.31Å; D555-S559 WeakPolarHBondContact OD2-CA 3.44Å; D555-S559 WeakPolarHBondContact OD2-CB 3.49Å; D555-S559 PolarHBondContact OD2-N 2.78Å; D555-S559 PolarHBondContact OD2-OG 2.84Å; D555-N560 WeakPolarHBondContact O-CB 3.29Å; D555-R605 VanDerWaalsContact CG-NH2 3.26Å; D555-R605 IonicContact OD1-CZ 3.45Å; D555-R605 IonicContact OD1-NE 2.81Å; D555-R605 PolarHBondContact OD1-NE 3.3Å; D555-R605 IonicContact OD1-NH2 2.94Å; D555-R605 PolarHBondContact OD1-NH2 2.92Å; D555-R605 IonicContact OD2-CZ 2.85Å; D555-R605 IonicContact OD2-NE 3.33Å; D555-R605 IonicContact OD2-NH2 2.7Å; D555-R605 PolarHBondContact OD2-NH2 3.45Å
556F98.5Very high96.7Very high1 Ų120.7 Ų20.70%0.00412%0.118CC..SBendtrans-88.6-5.2169.4-73-96.5000112.4L536 N560 V567 Q571 L574 V604 R605 R607 D629L536-F556 HydrophobicContact CD1-CB 4.22Å; L536-F556 HydrophobicContact CD1-CD1 3.33Å; L536-F556 HydrophobicContact CD1-CD2 3.67Å; L536-F556 HydrophobicContact CD1-CE1 3.37Å; L536-F556 HydrophobicContact CD1-CE2 3.72Å; L536-F556 HydrophobicContact CD1-CG 3.48Å; L536-F556 VanDerWaalsContact CD1-CG 3.48Å; L536-F556 HydrophobicContact CD1-CZ 3.56Å; L536-F556 HydrophobicContact CD2-CD2 4.12Å; L536-F556 HydrophobicContact CD2-CE1 4.5Å; L536-F556 HydrophobicContact CD2-CE2 3.62Å; L536-F556 HydrophobicContact CD2-CZ 3.83Å; L536-F556 HydrophobicContact CG-CD2 4.46Å; L536-F556 HydrophobicContact CG-CE2 4.31Å; L536-F556 HydrophobicContact CG-CZ 4.35Å; F556-N560 PolarHBondContact O-ND2 2.82Å; F556-V567 HydrophobicContact CD1-CG1 4.39Å; F556-V567 HydrophobicContact CE1-CG1 4.42Å; F556-V567 WeakPolarHBondContact CE1-O 3.16Å; F556-Q571 HydrophobicContact CE1-CG 3.96Å; F556-Q571 HydrophobicContact CZ-CG 3.94Å; F556-L574 HydrophobicContact CE2-CD1 3.72Å; F556-L574 HydrophobicContact CZ-CD1 4.15Å; F556-V604 HydrophobicContact CD2-CG1 3.73Å; F556-V604 HydrophobicContact CE2-CG1 3.78Å; F556-R605 WeakPolarHBondContact CB-O 3.01Å; F556-R605 PolarHBondContact N-O 3.49Å; F556-R607 WeakPolarHBondContact O-CG 3.38Å; F556-D629 HydrophobicContact CB-CB 4.37Å; F556-D629 WeakPolarHBondContact CB-OD2 3.2Å; F556-D629 HydrophobicContact CD1-CB 4.44Å; F556-D629 HydrophobicContact CG-CB 4.25Å
557E97.7Very high96.6Very high6 Ų617.9 Ų17.93%0.02810%0.104CC..SBendtrans-104.8-118.2-167.6-155.7-102.9-174.900111.8D555 S559 N560 R605 P653 K654D555-E557 VanDerWaalsContact C-N 3.33Å; D555-E557 WeakPolarHBondContact OD1-CA 3.44Å; D555-E557 WeakPolarHBondContact OD1-CB 3.37Å; D555-E557 PolarHBondContact OD1-N 3.46Å; E557-S559 PolarHBondContact O-N 2.81Å; E557-N560 WeakPolarHBondContact O-CB 3.5Å; E557-N560 PolarHBondContact O-N 3.36Å; E557-R605 HydrophobicContact CB-CG 4.03Å; E557-R605 IonicContact OE2-CZ 3.63Å; E557-R605 IonicContact OE2-NE 2.69Å; E557-R605 IonicContact OE2-NH1 3.85Å; E557-R605 IonicContact OE2-NH2 3.6Å; E557-P653 HydrophobicContact CG-CB 4.48Å; E557-P653 HydrophobicContact CG-CG 4.04Å; E557-K654 VanDerWaalsContact CD-NZ 3.31Å; E557-K654 WeakPolarHBondContact OE1-CD 3.21Å; E557-K654 WeakPolarHBondContact OE1-CE 3.3Å; E557-K654 IonicContact OE1-NZ 3.3Å; E557-K654 PolarHBondContact OE1-NZ 2.54Å; E557-K654 IonicContact OE2-NZ 2.93Å; E557-K654 PolarHBondContact OE2-NZ 3.46Å
558D96.6Very high96.5Very high9 Ų917.1 Ų17.15%0.04810%0.098CC..THydrogen-bonded Turntrans-66.1-28.6-165.2-86.25.1000115.7K654 Y866 D885 A886 A887D558-K654 IonicContact OD1-NZ 3.34Å; D558-K654 PolarHBondContact OD1-NZ 3.28Å; D558-K654 IonicContact OD2-NZ 3.95Å; D558-K654 PolarHBondContact OD2-NZ 3.21Å; D558-Y866 PolarHBondContact O-OH 2.91Å; D558-D885 HydrophobicContact CB-CB 4.05Å; D558-A886 HydrophobicContact CB-CB 3.96Å; D558-A886 PolarHBondContact O-N 3.42Å; D558-A887 WeakPolarHBondContact OD2-CB 3.15Å; D558-A887 PolarHBondContact OD2-N 2.91Å
559S95.3Very high96.4Very high5 Ų515.5 Ų15.54%0.0358%0.081CC..THydrogen-bonded Turntrans-87.96.4174.976.20000112.8D555 E557 G875 C876D555-S559 VanDerWaalsContact CB-OG 3.31Å; D555-S559 WeakPolarHBondContact CB-OG 3.27Å; D555-S559 VanDerWaalsContact CG-OG 3.31Å; D555-S559 WeakPolarHBondContact OD2-CA 3.44Å; D555-S559 WeakPolarHBondContact OD2-CB 3.49Å; D555-S559 PolarHBondContact OD2-N 2.78Å; D555-S559 PolarHBondContact OD2-OG 2.84Å; E557-S559 PolarHBondContact O-N 2.81Å; S559-G875 VanDerWaalsContact C-C 3.45Å; S559-G875 CarbonylContact C-O 3.57Å; S559-G875 WeakPolarHBondContact CA-O 3.49Å; S559-G875 CarbonylContact O-C 3.48Å; S559-G875 WeakPolarHBondContact O-CA 3.39Å; S559-C876 WeakPolarHBondContact O-CB 3.46Å; S559-C876 PolarHBondContact O-N 3.13Å; S559-C876 VanDerWaalsContact O-N 3.15Å
560N96.7Very high96.4Very high8 Ų815.2 Ų15.24%0.0438%0.079CC..SBendtrans-115.9137.1177.9-177.349.4000111.1D555 F556 E557 N566 W870D555-N560 WeakPolarHBondContact O-CB 3.29Å; F556-N560 PolarHBondContact O-ND2 2.82Å; E557-N560 WeakPolarHBondContact O-CB 3.5Å; E557-N560 PolarHBondContact O-N 3.36Å; N560-N566 WeakPolarHBondContact OD1-CB 3.34Å; N560-W870 PolarHBondContact O-NE1 3.26Å
561S96.4Very high96.4Very high0 Ų011.4 Ų11.40%06%0.063CC..  trans-89118161.9176.80000106.6T563 N566 W870 G873 L966S561-T563 PolarHBondContact O-N 2.99Å; S561-N566 WeakPolarHBondContact O-CB 3.26Å; S561-N566 PolarHBondContact O-ND2 2.98Å; S561-W870 WeakPolarHBondContact CB-O 3.26Å; S561-W870 PolarHBondContact OG-O 3.23Å; S561-G873 VanDerWaalsContact CB-C 3.45Å; S561-G873 WeakPolarHBondContact OG-CA 3.4Å; S561-L966 WeakPolarHBondContact OG-CD1 3.23Å
562P96.2Very high96.3Very high6 Ų614.6 Ų14.64%0.0398%0.075CC..  trans-81.849.1-166.336.2-36.9000112.3V567 W870 Y963P562-V567 HydrophobicContact CB-CG2 4.24Å; P562-W870 HydrophobicContact CG-CH2 4.25Å; P562-W870 HydrophobicContact CG-CZ2 3.85Å; P562-Y963 HydrophobicContact CB-CE2 4.36Å; P562-Y963 HydrophobicContact CG-CD2 3.9Å; P562-Y963 HydrophobicContact CG-CE2 3.9Å; P562-Y963 HydrophobicContact CG-CG 4.5Å; P562-Y963 VanDerWaalsContact O-CE2 3.27Å; P562-Y963 WeakPolarHBondContact O-CE2 3.48Å
563T94.3Very high96.3Very high7 Ų715.5 Ų15.54%0.0438%0.079CC..  trans-60.2148.6166.565.60000109.1S561 Q565 N566 V567 L966 L971S561-T563 PolarHBondContact O-N 2.99Å; T563-Q565 PolarHBondContact O-N 2.91Å; T563-N566 PolarHBondContact O-N 3.29Å; T563-N566 WeakPolarHBondContact OG1-CB 3.39Å; T563-N566 PolarHBondContact OG1-N 3.48Å; T563-N566 VanDerWaalsContact OG1-N 3.1Å; T563-N566 PolarHBondContact OG1-ND2 3.28Å; T563-V567 WeakPolarHBondContact O-CG2 3.13Å; T563-V567 PolarHBondContact O-N 3.1Å; T563-L966 HydrophobicContact CG2-CD1 4.15Å; T563-L966 HydrophobicContact CG2-CD2 4.28Å; T563-L971 WeakPolarHBondContact CA-OXT 3.29Å; T563-L971 WeakPolarHBondContact CB-OXT 3.39Å; T563-L971 HydrophobicContact CG2-CB 3.89Å
564W92.1Very high96.2Very high5 Ų515.4 Ų15.42%0.0198%0.079CC..Hα-helixtrans-54.2-40.1177.8-173.3-122.4000111.3F453 L455 P456 L463 V567 I568 E613 H615 F628 L971F453-W564 AromaticContact CD1-CH2 3.47Å; F453-W564 HydrophobicContact CD1-CH2 3.47Å; F453-W564 VanDerWaalsContact CD1-CH2 3.47Å; F453-W564 AromaticContact CD1-CZ2 3.83Å; F453-W564 HydrophobicContact CD1-CZ2 3.83Å; F453-W564 HydrophobicContact CD1-CZ3 4.47Å; F453-W564 AromaticContact CE1-CH2 3.69Å; F453-W564 HydrophobicContact CE1-CH2 3.69Å; F453-W564 HydrophobicContact CE1-CZ2 4.24Å; F453-W564 HydrophobicContact CG-CH2 4.37Å; F453-W564 HydrophobicContact CG-CZ2 4.31Å; L455-W564 HydrophobicContact CB-CG 4.33Å; L455-W564 HydrophobicContact CD1-CB 3.77Å; L455-W564 HydrophobicContact CD1-CG 4.06Å; P456-W564 PolarHBondContact O-NE1 3.29Å; L463-W564 HydrophobicContact CD1-CH2 4.26Å; L463-W564 HydrophobicContact CD1-CZ2 3.68Å; W564-V567 PolarHBondContact O-N 3.08Å; W564-I568 HydrophobicContact CD2-CG1 3.83Å; W564-I568 HydrophobicContact CE3-CD1 4.48Å; W564-I568 HydrophobicContact CE3-CG1 4.09Å; W564-I568 HydrophobicContact CG-CG1 4.43Å; W564-I568 HydrophobicContact CH2-CD1 3.86Å; W564-I568 HydrophobicContact CH2-CG1 4.08Å; W564-I568 HydrophobicContact CZ2-CD1 3.97Å; W564-I568 HydrophobicContact CZ2-CG1 3.8Å; W564-I568 HydrophobicContact CZ3-CD1 4.13Å; W564-I568 HydrophobicContact CZ3-CG1 4.22Å; W564-I568 WeakPolarHBondContact O-CB 3.4Å; W564-I568 WeakPolarHBondContact O-CG1 3.46Å; W564-I568 PolarHBondContact O-N 2.94Å; W564-E613 HydrophobicContact CZ3-CG 4.17Å; W564-H615 HydrophobicContact CD2-CB 3.9Å; W564-H615 HydrophobicContact CE3-CB 3.4Å; W564-H615 VanDerWaalsContact CE3-CB 3.4Å; W564-H615 AromaticContact CE3-CD2 3.93Å; W564-H615 AromaticContact CE3-CG 3.92Å; W564-H615 HydrophobicContact CH2-CB 4.39Å; W564-H615 HydrophobicContact CZ3-CB 3.69Å; W564-F628 HydrophobicContact CH2-CE1 4.4Å; W564-F628 HydrophobicContact CH2-CE2 4.3Å; W564-F628 AromaticContact CH2-CZ 3.61Å; W564-F628 HydrophobicContact CH2-CZ 3.61Å; W564-F628 HydrophobicContact CZ3-CE1 4.02Å; W564-F628 HydrophobicContact CZ3-CE2 4.37Å; W564-F628 AromaticContact CZ3-CZ 3.6Å; W564-F628 HydrophobicContact CZ3-CZ 3.6Å; W564-L971 PolarHBondContact N-OXT 3.44Å
565Q91.2Very high96.2Very high118 Ų11817.9 Ų17.955%0.5519%0.088SC*.Hα-helixtrans-64.4-41.5177.1-172.763.614.800112.7T563 G569T563-Q565 PolarHBondContact O-N 2.91Å; Q565-G569 WeakPolarHBondContact O-CA 3.38Å; Q565-G569 PolarHBondContact O-N 2.93Å
566N94.5Very high96.2Very high50 Ų5018.2 Ų18.227%0.2679%0.09SC..Hα-helixtrans-70.4-38.2178.6-74.9-10.5000111.7N560 S561 T563 G570 G873N560-N566 WeakPolarHBondContact OD1-CB 3.34Å; S561-N566 WeakPolarHBondContact O-CB 3.26Å; S561-N566 PolarHBondContact O-ND2 2.98Å; T563-N566 PolarHBondContact O-N 3.29Å; T563-N566 WeakPolarHBondContact OG1-CB 3.39Å; T563-N566 PolarHBondContact OG1-N 3.48Å; T563-N566 VanDerWaalsContact OG1-N 3.1Å; T563-N566 PolarHBondContact OG1-ND2 3.28Å; N566-G570 VanDerWaalsContact O-CA 3.3Å; N566-G570 WeakPolarHBondContact O-CA 3.44Å; N566-G570 PolarHBondContact O-N 3.25Å; N566-G873 PolarHBondContact ND2-O 3Å
567V96Very high96.1Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-68.8-56.3178.6177.20000110.2F556 P562 T563 W564 G570 Q571 F628F556-V567 HydrophobicContact CD1-CG1 4.39Å; F556-V567 HydrophobicContact CE1-CG1 4.42Å; F556-V567 WeakPolarHBondContact CE1-O 3.16Å; P562-V567 HydrophobicContact CB-CG2 4.24Å; T563-V567 WeakPolarHBondContact O-CG2 3.13Å; T563-V567 PolarHBondContact O-N 3.1Å; W564-V567 PolarHBondContact O-N 3.08Å; V567-G570 PolarHBondContact O-N 2.79Å; V567-Q571 WeakPolarHBondContact O-CG 3.46Å; V567-Q571 PolarHBondContact O-N 3.19Å; V567-F628 HydrophobicContact CG1-CD1 3.95Å; V567-F628 HydrophobicContact CG1-CE1 3.73Å
568I95.2Very high96.1Very high1 Ų118.6 Ų18.61%0.0059%0.094CC..Hα-helixtrans-69.4-43.7-178.6-59.9-57000111.5V458 D459 I462 L463 W564 G570 Q571 R572 F628 L632V458-I568 HydrophobicContact CG2-CB 4.16Å; V458-I568 HydrophobicContact CG2-CG2 3.94Å; D459-I568 HydrophobicContact CB-CG2 3.63Å; I462-I568 HydrophobicContact CB-CG2 4.44Å; I462-I568 HydrophobicContact CG2-CG2 4.48Å; L463-I568 HydrophobicContact CD1-CD1 3.89Å; L463-I568 HydrophobicContact CD1-CG1 4.32Å; L463-I568 HydrophobicContact CD2-CD1 3.92Å; L463-I568 HydrophobicContact CG-CD1 4.07Å; W564-I568 HydrophobicContact CD2-CG1 3.83Å; W564-I568 HydrophobicContact CE3-CD1 4.48Å; W564-I568 HydrophobicContact CE3-CG1 4.09Å; W564-I568 HydrophobicContact CG-CG1 4.43Å; W564-I568 HydrophobicContact CH2-CD1 3.86Å; W564-I568 HydrophobicContact CH2-CG1 4.08Å; W564-I568 HydrophobicContact CZ2-CD1 3.97Å; W564-I568 HydrophobicContact CZ2-CG1 3.8Å; W564-I568 HydrophobicContact CZ3-CD1 4.13Å; W564-I568 HydrophobicContact CZ3-CG1 4.22Å; W564-I568 WeakPolarHBondContact O-CB 3.4Å; W564-I568 WeakPolarHBondContact O-CG1 3.46Å; W564-I568 PolarHBondContact O-N 2.94Å; I568-G570 VanDerWaalsContact C-N 3.27Å; I568-G570 PolarHBondContact O-N 3.46Å; I568-Q571 WeakPolarHBondContact O-CB 3.46Å; I568-Q571 PolarHBondContact O-N 3.2Å; I568-R572 PolarHBondContact O-N 2.82Å; I568-F628 HydrophobicContact CD1-CE1 3.93Å; I568-F628 HydrophobicContact CD1-CZ 3.91Å; I568-L632 HydrophobicContact CD1-CD1 4.19Å
569G94.8Very high96Very high19 Ų1922.7 Ų22.720%0.19611%0.108CC..Hα-helixtrans-61.9-35.817500000112.4Q565 R572 N573Q565-G569 WeakPolarHBondContact O-CA 3.38Å; Q565-G569 PolarHBondContact O-N 2.93Å; G569-R572 WeakPolarHBondContact O-CB 3.39Å; G569-R572 PolarHBondContact O-N 2.77Å; G569-N573 PolarHBondContact O-N 3.34Å; G569-N573 PolarHBondContact O-ND2 2.77Å
570G97Very high95.9Very high2 Ų225.2 Ų25.22%0.02114%0.135CC..Hα-helixtrans-64.8-45.3173.600000112.9N566 V567 I568 R572 N573 L574N566-G570 VanDerWaalsContact O-CA 3.3Å; N566-G570 WeakPolarHBondContact O-CA 3.44Å; N566-G570 PolarHBondContact O-N 3.25Å; V567-G570 PolarHBondContact O-N 2.79Å; I568-G570 VanDerWaalsContact C-N 3.27Å; I568-G570 PolarHBondContact O-N 3.46Å; G570-R572 VanDerWaalsContact C-N 3.25Å; G570-R572 PolarHBondContact O-N 3.25Å; G570-N573 PolarHBondContact O-N 2.82Å; G570-L574 WeakPolarHBondContact O-CG 3.24Å; G570-L574 PolarHBondContact O-N 2.8Å
571Q98.2Very high95.8Very high1 Ų127.9 Ų27.91%0.00515%0.154CC..Hα-helixtrans-57.6-41.3172-67.3-68.1-6.500111.2I462 F556 V567 I568 L574 Y575 D629 L632I462-Q571 HydrophobicContact CD1-CB 4.21Å; I462-Q571 HydrophobicContact CG1-CB 4.22Å; I462-Q571 HydrophobicContact CG2-CB 3.68Å; I462-Q571 HydrophobicContact CG2-CG 4.29Å; F556-Q571 HydrophobicContact CE1-CG 3.96Å; F556-Q571 HydrophobicContact CZ-CG 3.94Å; V567-Q571 WeakPolarHBondContact O-CG 3.46Å; V567-Q571 PolarHBondContact O-N 3.19Å; I568-Q571 WeakPolarHBondContact O-CB 3.46Å; I568-Q571 PolarHBondContact O-N 3.2Å; Q571-L574 PolarHBondContact O-N 3.06Å; Q571-Y575 WeakPolarHBondContact O-CB 3.49Å; Q571-Y575 PolarHBondContact O-N 2.92Å; Q571-D629 PolarHBondContact NE2-O 3.01Å; Q571-L632 HydrophobicContact CG-CB 4.06Å; Q571-L632 HydrophobicContact CG-CD1 4.05Å
572R96.9Very high95.8Very high68 Ų6828 Ų2826%0.25715%0.154SC..Hα-helixtrans-64-42.8176.2-179.959.8-164.5-140.513.2113.2D459 V461 I462 I568 G569 G570 L574 Y575 D576D459-R572 IonicContact OD1-NH1 3.54Å; D459-R572 WeakPolarHBondContact OD2-CB 3.48Å; D459-R572 VanDerWaalsContact OD2-CD 3.27Å; D459-R572 WeakPolarHBondContact OD2-CD 3.22Å; D459-R572 VanDerWaalsContact OD2-CG 3.28Å; D459-R572 WeakPolarHBondContact OD2-CG 3.4Å; D459-R572 IonicContact OD2-NH1 3.42Å; V461-R572 VanDerWaalsContact CB-NH1 3.28Å; I462-R572 HydrophobicContact CD1-CB 4.44Å; I462-R572 HydrophobicContact CG1-CB 4.01Å; I568-R572 PolarHBondContact O-N 2.82Å; G569-R572 WeakPolarHBondContact O-CB 3.39Å; G569-R572 PolarHBondContact O-N 2.77Å; G570-R572 VanDerWaalsContact C-N 3.25Å; G570-R572 PolarHBondContact O-N 3.25Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.43Å; R572-Y575 WeakPolarHBondContact O-CB 3.19Å; R572-Y575 PolarHBondContact O-N 3.24Å; R572-D576 IonicContact CZ-OD1 2.61Å; R572-D576 IonicContact NE-OD1 2.63Å; R572-D576 PolarHBondContact NE-OD1 3Å; R572-D576 IonicContact NE-OD2 3.01Å; R572-D576 PolarHBondContact NE-OD2 2.85Å; R572-D576 IonicContact NH2-OD1 3.35Å; R572-D576 PolarHBondContact NH2-OD1 3.21Å; R572-D576 IonicContact NH2-OD2 3.15Å; R572-D576 PolarHBondContact O-N 3.37Å
573N97.8Very high95.8Very high18 Ų1833.3 Ų33.310%0.09618%0.178CC..Hα-helixtrans-62.4-43.4177.2-68.5-27.9000110.9L536 R538 G569 G570 D576 A577 I582L536-N573 PolarHBondContact O-ND2 3.46Å; R538-N573 WeakPolarHBondContact CG-OD1 3.27Å; R538-N573 PolarHBondContact N-ND2 2.87Å; R538-N573 PolarHBondContact NH1-OD1 2.94Å; G569-N573 PolarHBondContact O-N 3.34Å; G569-N573 PolarHBondContact O-ND2 2.77Å; G570-N573 PolarHBondContact O-N 2.82Å; N573-D576 PolarHBondContact O-N 2.68Å; N573-A577 VanDerWaalsContact O-CB 3.31Å; N573-A577 WeakPolarHBondContact O-CB 2.98Å; N573-A577 PolarHBondContact O-N 3.42Å; N573-I582 HydrophobicContact CB-CD1 4.2Å
574L98.5Very high95.8Very high0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-67.7-38.5175.9-62.3-173.1000112.5L536 V541 A554 F556 G570 Q571 R572 D576 A577 V578 L602 V604 F633L536-L574 HydrophobicContact CD2-CD1 3.98Å; L536-L574 HydrophobicContact CD2-CD2 4.35Å; L536-L574 HydrophobicContact CD2-CG 4.1Å; V541-L574 HydrophobicContact CG1-CD2 4.38Å; A554-L574 HydrophobicContact CB-CD1 4.02Å; A554-L574 HydrophobicContact CB-CD2 3.75Å; A554-L574 HydrophobicContact CB-CG 4.49Å; F556-L574 HydrophobicContact CE2-CD1 3.72Å; F556-L574 HydrophobicContact CZ-CD1 4.15Å; G570-L574 WeakPolarHBondContact O-CG 3.24Å; G570-L574 PolarHBondContact O-N 2.8Å; Q571-L574 PolarHBondContact O-N 3.06Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.43Å; L574-D576 VanDerWaalsContact C-N 3.34Å; L574-D576 PolarHBondContact O-N 3.18Å; L574-A577 PolarHBondContact O-N 3.14Å; L574-V578 WeakPolarHBondContact O-CB 3.19Å; L574-V578 VanDerWaalsContact O-CG2 3.28Å; L574-V578 WeakPolarHBondContact O-CG2 3.45Å; L574-V578 PolarHBondContact O-N 3.17Å; L574-L602 HydrophobicContact CD2-CD1 4.11Å; L574-L602 HydrophobicContact CD2-CD2 4.26Å; L574-V604 HydrophobicContact CD1-CG2 3.81Å; L574-F633 HydrophobicContact CB-CD2 4.21Å; L574-F633 HydrophobicContact CB-CE2 4.1Å; L574-F633 HydrophobicContact CD1-CD2 3.87Å; L574-F633 HydrophobicContact CD1-CE2 3.98Å
575Y98.3Very high95.8Very high51 Ų5137.3 Ų37.320%0.220%0.195CC..Hα-helixtrans-54.9-49.3173176.3-79.3000111.5V461 I462 Q571 R572 R579 H636V461-Y575 HydrophobicContact CG1-CD1 4.31Å; V461-Y575 HydrophobicContact CG1-CD2 4.25Å; V461-Y575 HydrophobicContact CG1-CE1 3.82Å; V461-Y575 HydrophobicContact CG1-CE2 3.75Å; I462-Y575 HydrophobicContact CD1-CD2 4.08Å; I462-Y575 HydrophobicContact CD1-CG 4.13Å; Q571-Y575 WeakPolarHBondContact O-CB 3.49Å; Q571-Y575 PolarHBondContact O-N 2.92Å; R572-Y575 WeakPolarHBondContact O-CB 3.19Å; R572-Y575 PolarHBondContact O-N 3.24Å; Y575-R579 VanDerWaalsContact CE1-CD 3.46Å; Y575-R579 WeakPolarHBondContact O-CD 3.46Å; Y575-R579 PolarHBondContact O-N 2.96Å; Y575-R579 PolarHBondContact O-NH1 3.24Å; Y575-R579 PolarHBondContact OH-NE 3.07Å; Y575-H636 HydrophobicContact CD2-CB 4.01Å
576D97.2Very high95.6Very high8 Ų832.4 Ų32.44%0.04317%0.172CC..Hα-helixtrans-68.3-40179.1-67.1-24.8000111.2R538 R572 N573 L574 R579 G580 C581 I582R538-D576 IonicContact CZ-OD2 2.68Å; R538-D576 VanDerWaalsContact CZ-OD2 3.28Å; R538-D576 IonicContact NH1-OD2 3.72Å; R538-D576 PolarHBondContact NH1-OD2 2.85Å; R538-D576 IonicContact NH2-OD2 3.26Å; R538-D576 PolarHBondContact NH2-OD2 3.03Å; R572-D576 IonicContact CZ-OD1 2.61Å; R572-D576 IonicContact NE-OD1 2.63Å; R572-D576 PolarHBondContact NE-OD1 3Å; R572-D576 IonicContact NE-OD2 3.01Å; R572-D576 PolarHBondContact NE-OD2 2.85Å; R572-D576 IonicContact NH2-OD1 3.35Å; R572-D576 PolarHBondContact NH2-OD1 3.21Å; R572-D576 IonicContact NH2-OD2 3.15Å; R572-D576 PolarHBondContact O-N 3.37Å; N573-D576 PolarHBondContact O-N 2.68Å; L574-D576 VanDerWaalsContact C-N 3.34Å; L574-D576 PolarHBondContact O-N 3.18Å; D576-R579 CarbonylContact O-C 3.59Å; D576-R579 PolarHBondContact O-N 3.08Å; D576-G580 PolarHBondContact O-N 3.01Å; D576-G580 VanDerWaalsContact O-N 3.14Å; D576-C581 VanDerWaalsContact CA-SG 3.6Å; D576-C581 PolarHBondContact O-N 3.45Å; D576-C581 PolarHBondContact O-SG 3.5Å; D576-I582 HydrophobicContact CB-CB 3.96Å; D576-I582 HydrophobicContact CB-CG1 4.45Å; D576-I582 PolarHBondContact O-N 2.97Å
577A97.5Very high95Very high4 Ų435.5 Ų35.53%0.03320%0.195CC..Hα-helixtrans-64.2-43.6-179.500000112.3V541 F545 N573 L574 R579 G580 I582 L595V541-A577 HydrophobicContact CG1-CB 4.36Å; F545-A577 HydrophobicContact CD2-CB 4.37Å; F545-A577 HydrophobicContact CE2-CB 3.58Å; F545-A577 HydrophobicContact CZ-CB 4.17Å; N573-A577 VanDerWaalsContact O-CB 3.31Å; N573-A577 WeakPolarHBondContact O-CB 2.98Å; N573-A577 PolarHBondContact O-N 3.42Å; L574-A577 PolarHBondContact O-N 3.14Å; A577-R579 PolarHBondContact O-N 3.06Å; A577-G580 PolarHBondContact O-N 2.98Å; A577-I582 HydrophobicContact CB-CB 4.1Å; A577-I582 HydrophobicContact CB-CD1 4.15Å; A577-I582 HydrophobicContact CB-CG2 3.71Å; A577-L595 HydrophobicContact CB-CD1 4.46Å; A577-L595 WeakPolarHBondContact O-CD1 3.24Å
578V97.1Very high94.5Very high11 Ų1141.7 Ų41.77%0.06723%0.233CC..Hα-helixtrans-59.9-33.4177.7167.30000111.5L574 L602 N637 A640 L641 K644L574-V578 WeakPolarHBondContact O-CB 3.19Å; L574-V578 VanDerWaalsContact O-CG2 3.28Å; L574-V578 WeakPolarHBondContact O-CG2 3.45Å; L574-V578 PolarHBondContact O-N 3.17Å; V578-L602 HydrophobicContact CG2-CD2 4.01Å; V578-N637 HydrophobicContact CG1-CB 4.29Å; V578-N637 HydrophobicContact CG2-CB 4.12Å; V578-A640 HydrophobicContact CG1-CB 3.88Å; V578-L641 HydrophobicContact CG1-CD2 4.29Å; V578-L641 HydrophobicContact CG1-CG 3.94Å; V578-L641 HydrophobicContact CG2-CD1 4.23Å; V578-L641 HydrophobicContact CG2-CD2 4.22Å; V578-L641 HydrophobicContact CG2-CG 4.24Å; V578-K644 PolarHBondContact O-NZ 3.09Å
579R95.7Very high94.2Very high95 Ų9545.9 Ų45.936%0.35826%0.259SS..THydrogen-bonded Turntrans-88.40.6179.4-69.4164-177.269.93.2113.7Y575 D576 A577 C581 H636 N637Y575-R579 VanDerWaalsContact CE1-CD 3.46Å; Y575-R579 WeakPolarHBondContact O-CD 3.46Å; Y575-R579 PolarHBondContact O-N 2.96Å; Y575-R579 PolarHBondContact O-NH1 3.24Å; Y575-R579 PolarHBondContact OH-NE 3.07Å; D576-R579 CarbonylContact O-C 3.59Å; D576-R579 PolarHBondContact O-N 3.08Å; A577-R579 PolarHBondContact O-N 3.06Å; R579-C581 VanDerWaalsContact C-N 3.26Å; R579-C581 PolarHBondContact O-N 3.2Å; R579-H636 PolarHBondContact NH2-O 2.82Å; R579-N637 PolarHBondContact NH1-OD1 3.29Å
580G93Very high93.8Very high57 Ų5750.4 Ų50.459%0.58828%0.278SS*.THydrogen-bonded Turntrans72.416.4178.600000114.4D576 A577D576-G580 PolarHBondContact O-N 3.01Å; D576-G580 VanDerWaalsContact O-N 3.14Å; A577-G580 PolarHBondContact O-N 2.98Å
581C94.7Very high93.6Very high65 Ų6556 Ų5644%0.43930%0.302SS..  trans-113.99.4-176.361.90000113.7D576 R579 E583D576-C581 VanDerWaalsContact CA-SG 3.6Å; D576-C581 PolarHBondContact O-N 3.45Å; D576-C581 PolarHBondContact O-SG 3.5Å; R579-C581 VanDerWaalsContact C-N 3.26Å; R579-C581 PolarHBondContact O-N 3.2Å; C581-E583 PolarHBondContact O-N 2.84Å
582I96.1Very high93.3Very high1 Ų161.5 Ų61.51%0.00533%0.326CS..  trans-70.5120.9172.5-165.9178.6000110R538 V541 I542 N573 D576 A577 L595R538-I582 HydrophobicContact CG-CD1 3.95Å; R538-I582 HydrophobicContact CG-CG1 3.9Å; V541-I582 HydrophobicContact CB-CD1 4.1Å; V541-I582 HydrophobicContact CG1-CD1 3.58Å; I542-I582 HydrophobicContact CD1-CD1 4.45Å; I542-I582 HydrophobicContact CD1-CG1 4.11Å; I542-I582 HydrophobicContact CG1-CD1 3.92Å; I542-I582 HydrophobicContact CG1-CG1 3.97Å; I542-I582 HydrophobicContact CG1-CG2 4.02Å; N573-I582 HydrophobicContact CB-CD1 4.2Å; D576-I582 HydrophobicContact CB-CB 3.96Å; D576-I582 HydrophobicContact CB-CG1 4.45Å; D576-I582 PolarHBondContact O-N 2.97Å; A577-I582 HydrophobicContact CB-CB 4.1Å; A577-I582 HydrophobicContact CB-CD1 4.15Å; A577-I582 HydrophobicContact CB-CG2 3.71Å; I582-L595 HydrophobicContact CG2-CD1 3.73Å; I582-L595 HydrophobicContact CG2-CD2 3.8Å; I582-L595 HydrophobicContact CG2-CG 3.5Å
583E95.6Very high93.2Very high118 Ų11860.1 Ų60.155%0.55132%0.321SS*.EExtended strand (participates in β ladder)trans-135.9148.3175.7-64-174.6170.200109.6R538 C581 Y593 A594R538-E583 PolarHBondContact NE-O 2.96Å; C581-E583 PolarHBondContact O-N 2.84Å; E583-Y593 CarbonylContact C-O 3.5Å; E583-Y593 WeakPolarHBondContact CA-O 3.48Å; E583-A594 HydrophobicContact CG-CB 4.22Å
584Y94.5Very high93.1Very high63 Ų6361.6 Ų61.625%0.24734%0.335CS..EExtended strand (participates in β ladder)trans-139.6135.4173.8177.1-95.5000109.8R538 K539 D586 P587 K592 Y593R538-Y584 HydrophobicContact CB-CD2 4.4Å; K539-Y584 HydrophobicContact CB-CD1 3.65Å; K539-Y584 HydrophobicContact CB-CD2 4.33Å; K539-Y584 HydrophobicContact CB-CE1 3.76Å; K539-Y584 HydrophobicContact CB-CE2 4.41Å; K539-Y584 HydrophobicContact CB-CG 3.95Å; K539-Y584 HydrophobicContact CD-CD1 4.06Å; K539-Y584 HydrophobicContact CD-CE1 3.58Å; K539-Y584 HydrophobicContact CG-CD1 3.7Å; K539-Y584 HydrophobicContact CG-CE1 3.75Å; K539-Y584 HydrophobicContact CG-CG 4.45Å; Y584-D586 VanDerWaalsContact CE1-CA 3.48Å; Y584-D586 HydrophobicContact CE1-CB 3.87Å; Y584-P587 WeakPolarHBondContact OH-CD 3.3Å; Y584-K592 CarbonylContact O-C 3.49Å; Y584-K592 WeakPolarHBondContact O-CA 3.23Å; Y584-Y593 AromaticContact CD1-CD2 3.83Å; Y584-Y593 HydrophobicContact CD1-CD2 3.83Å; Y584-Y593 HydrophobicContact CD1-CE2 4.37Å; Y584-Y593 PolarHBondContact N-O 3.17Å; Y584-Y593 PolarHBondContact O-N 3.46Å
585Q92.7Very high93Very high34 Ų3463.5 Ų63.516%0.15935%0.345CS..EExtended strand (participates in β ladder)trans-115.9119.8171.7-173.7167.71800107.9P587 D590 K592Q585-P587 WeakPolarHBondContact O-CD 3.22Å; Q585-D590 PolarHBondContact NE2-OD1 2.93Å; Q585-K592 HydrophobicContact CB-CG 4.39Å; Q585-K592 HydrophobicContact CG-CG 4.09Å
586D85.7Confident92.8Very high15 Ų1563.6 Ų63.68%0.0835%0.354CS..  trans-67.9118.7-179.8-174.9-72.7000109.4K539 Y584 T588 T589 D590 K591 Y593K539-D586 IonicContact NZ-OD2 2.8Å; K539-D586 PolarHBondContact NZ-OD2 2.73Å; Y584-D586 VanDerWaalsContact CE1-CA 3.48Å; Y584-D586 HydrophobicContact CE1-CB 3.87Å; D586-T588 PolarHBondContact O-N 2.95Å; D586-T588 PolarHBondContact OD1-N 2.86Å; D586-T588 VanDerWaalsContact OD1-N 3.09Å; D586-T589 VanDerWaalsContact CB-OG1 3.27Å; D586-T589 WeakPolarHBondContact CB-OG1 3.33Å; D586-T589 PolarHBondContact OD1-N 3.13Å; D586-T589 PolarHBondContact OD1-OG1 3.04Å; D586-D590 VanDerWaalsContact O-CA 3.24Å; D586-D590 WeakPolarHBondContact O-CA 3.42Å; D586-D590 PolarHBondContact O-N 3.11Å; D586-K591 PolarHBondContact N-O 3.2Å; D586-Y593 HydrophobicContact CB-CE2 4.05Å
587P81.8Confident92.5Very high114 Ų11467.8 Ų67.874%0.7439%0.39SS*.THydrogen-bonded Turntrans-68.8-17-172.127.6-35000112.8Y584 Q585Y584-P587 WeakPolarHBondContact OH-CD 3.3Å; Q585-P587 WeakPolarHBondContact O-CD 3.22Å
588T85.9Confident92.2Very high130 Ų13074.8 Ų74.880%0.79843%0.427SS*.THydrogen-bonded Turntrans-95.5-40-178.2-49.40000112D586D586-T588 PolarHBondContact O-N 2.95Å; D586-T588 PolarHBondContact OD1-N 2.86Å; D586-T588 VanDerWaalsContact OD1-N 3.09Å
589T89.5Confident92.2Very high90 Ų9076.9 Ų76.955%0.55244%0.44SS*.THydrogen-bonded Turntrans-103.1-7.2-175.460.20000114D586 K591D586-T589 VanDerWaalsContact CB-OG1 3.27Å; D586-T589 WeakPolarHBondContact CB-OG1 3.33Å; D586-T589 PolarHBondContact OD1-N 3.13Å; D586-T589 PolarHBondContact OD1-OG1 3.04Å; T589-K591 PolarHBondContact O-N 2.88Å
590D87Confident92.3Very high113 Ų11372.7 Ų72.760%0.60443%0.426SS*.  trans603.7-172.6-157.143.1000114.6Q585 D586 K592Q585-D590 PolarHBondContact NE2-OD1 2.93Å; D586-D590 VanDerWaalsContact O-CA 3.24Å; D586-D590 WeakPolarHBondContact O-CA 3.42Å; D586-D590 PolarHBondContact O-N 3.11Å; D590-K592 PolarHBondContact O-N 3.1Å
591K92.3Very high92.6Very high121 Ų12171.3 Ų71.353%0.52641%0.406SS..  trans-68.5129.8-178.6-176.3171.5170.6-1720110.1D586 T589 Y593D586-K591 PolarHBondContact N-O 3.2Å; T589-K591 PolarHBondContact O-N 2.88Å; K591-Y593 HydrophobicContact CB-CE2 3.95Å; K591-Y593 HydrophobicContact CD-CE1 4.42Å; K591-Y593 HydrophobicContact CD-CE2 4.18Å; K591-Y593 WeakPolarHBondContact CD-OH 3.26Å; K591-Y593 HydrophobicContact CG-CD2 4.46Å; K591-Y593 HydrophobicContact CG-CE2 3.78Å; K591-Y593 WeakPolarHBondContact O-CD2 3.28Å; K591-Y593 VanDerWaalsContact O-CE2 3.28Å; K591-Y593 WeakPolarHBondContact O-CE2 3.15Å
592K91.7Very high92.8Very high116 Ų11668.6 Ų68.650%0.50439%0.387SS..EExtended strand (participates in β ladder)trans-91.1144175.5-61.7-175.3-177.6-176.50111.9Y584 Q585 D590Y584-K592 CarbonylContact O-C 3.49Å; Y584-K592 WeakPolarHBondContact O-CA 3.23Å; Q585-K592 HydrophobicContact CB-CG 4.39Å; Q585-K592 HydrophobicContact CG-CG 4.09Å; D590-K592 PolarHBondContact O-N 3.1Å
593Y95.4Very high92.9Very high39 Ų3968.6 Ų68.615%0.15339%0.387CS..EExtended strand (participates in β ladder)trans-129.6130178-59.7-101.9000107.2N543 E583 Y584 D586 K591N543-Y593 WeakPolarHBondContact OD1-CD1 3.15Å; E583-Y593 CarbonylContact C-O 3.5Å; E583-Y593 WeakPolarHBondContact CA-O 3.48Å; Y584-Y593 AromaticContact CD1-CD2 3.83Å; Y584-Y593 HydrophobicContact CD1-CD2 3.83Å; Y584-Y593 HydrophobicContact CD1-CE2 4.37Å; Y584-Y593 PolarHBondContact N-O 3.17Å; Y584-Y593 PolarHBondContact O-N 3.46Å; D586-Y593 HydrophobicContact CB-CE2 4.05Å; K591-Y593 HydrophobicContact CB-CE2 3.95Å; K591-Y593 HydrophobicContact CD-CE1 4.42Å; K591-Y593 HydrophobicContact CD-CE2 4.18Å; K591-Y593 WeakPolarHBondContact CD-OH 3.26Å; K591-Y593 HydrophobicContact CG-CD2 4.46Å; K591-Y593 HydrophobicContact CG-CE2 3.78Å; K591-Y593 WeakPolarHBondContact O-CD2 3.28Å; K591-Y593 VanDerWaalsContact O-CE2 3.28Å; K591-Y593 WeakPolarHBondContact O-CE2 3.15Å
594A95.1Very high93Very high48 Ų4863 Ų6340%0.39736%0.361SS..EExtended strand (participates in β ladder)trans-144.3167.1174.200000108.2I542 N546 E583I542-A594 WeakPolarHBondContact CG2-O 3.15Å; N546-A594 PolarHBondContact ND2-O 2.91Å; E583-A594 HydrophobicContact CG-CB 4.22Å
595L95.6Very high93.2Very high40 Ų4060.2 Ų60.221%0.20935%0.35CS..  trans-65.5141176.9-63-178000111.5F545 A577 I582F545-L595 HydrophobicContact CB-CD2 3.54Å; F545-L595 HydrophobicContact CD2-CD2 3.69Å; F545-L595 HydrophobicContact CG-CD2 3.76Å; A577-L595 HydrophobicContact CB-CD1 4.46Å; A577-L595 WeakPolarHBondContact O-CD1 3.24Å; I582-L595 HydrophobicContact CG2-CD1 3.73Å; I582-L595 HydrophobicContact CG2-CD2 3.8Å; I582-L595 HydrophobicContact CG2-CG 3.5Å
596S93.8Very high93.5Very high54 Ų5458.6 Ų58.638%0.37834%0.343SS..  trans-72.8172.216966.80000111.1N546 N598 P599N546-S596 VanDerWaalsContact OD1-CB 3.24Å; N546-S596 WeakPolarHBondContact OD1-CB 3.47Å; N546-S596 PolarHBondContact OD1-N 3.41Å; N546-S596 PolarHBondContact OD1-OG 3.32Å; S596-N598 VanDerWaalsContact C-N 3.28Å; S596-N598 PolarHBondContact O-N 2.96Å; S596-P599 WeakPolarHBondContact O-CD 3.33Å
597A91.5Very high94.1Very high96 Ų9658 Ų5879%0.79334%0.339SS*.SBendtrans-64.1-31.5-178.400000113.7P599A597-P599 WeakPolarHBondContact O-CD 3.45Å
598N92Very high94.9Very high151 Ų15152.6 Ų52.681%0.80730%0.304SS*.SBendtrans-127.571.5-177-65.5-34.4000109.7S596S596-N598 VanDerWaalsContact C-N 3.28Å; S596-N598 PolarHBondContact O-N 2.96Å
599P96.7Very high95.5Very high54 Ų5446.7 Ų46.735%0.35127%0.267SS..PPolyproline II helixtrans-67.1153.2179.630.9-34.6000110.7F545 S596 A597F545-P599 HydrophobicContact CB-CB 3.99Å; F545-P599 HydrophobicContact CD1-CB 3.78Å; F545-P599 HydrophobicContact CG-CB 4.2Å; F545-P599 WeakPolarHBondContact O-CA 3.36Å; S596-P599 WeakPolarHBondContact O-CD 3.33Å; A597-P599 WeakPolarHBondContact O-CD 3.45Å
600A98.2Very high95.9Very high8 Ų843.3 Ų43.37%0.06625%0.245CC..PPolyproline II helixtrans-55.2149.6172.700000111.7F545 A549 F552 L602F545-A600 WeakPolarHBondContact CD1-O 3.41Å; F545-A600 VanDerWaalsContact CE1-O 3.26Å; F545-A600 WeakPolarHBondContact CE1-O 3.37Å; F545-A600 PolarHBondContact O-N 3.29Å; A549-A600 WeakPolarHBondContact O-CB 3.34Å; F552-A600 HydrophobicContact CB-CB 4.03Å; A600-L602 PolarHBondContact O-N 2.99Å
601V98.3Very high96.4Very high28 Ų2838.4 Ų38.417%0.1722%0.219CC..EExtended strand (participates in β ladder)trans-68.8128.7177176.40000109.7D524 L525 K550 T551 F552 Y649D524-V601 HydrophobicContact CB-CG2 3.85Å; L525-V601 HydrophobicContact CD2-CG1 3.93Å; K550-V601 PolarHBondContact O-N 3.43Å; T551-V601 CarbonylContact C-O 3.57Å; T551-V601 WeakPolarHBondContact CA-O 3.33Å; T551-V601 HydrophobicContact CG2-CB 4.2Å; F552-V601 PolarHBondContact N-O 3.14Å; V601-Y649 HydrophobicContact CG1-CD2 3.82Å; V601-Y649 HydrophobicContact CG1-CE2 3.76Å
602L98.6Very high96.6Very high8 Ų834.6 Ų34.64%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-77.3131.5-177.5-179.860.8000111.3F545 F552 A554 L574 V578 A600 V604 F633F545-L602 HydrophobicContact CE1-CB 3.95Å; F545-L602 HydrophobicContact CE1-CD1 4.42Å; F545-L602 HydrophobicContact CZ-CB 3.95Å; F545-L602 HydrophobicContact CZ-CD1 3.86Å; F545-L602 HydrophobicContact CZ-CD2 4.18Å; F545-L602 HydrophobicContact CZ-CG 4.21Å; F552-L602 HydrophobicContact CD1-CD1 4.07Å; F552-L602 HydrophobicContact CE1-CD1 4.31Å; A554-L602 HydrophobicContact CB-CD1 3.7Å; L574-L602 HydrophobicContact CD2-CD1 4.11Å; L574-L602 HydrophobicContact CD2-CD2 4.26Å; V578-L602 HydrophobicContact CG2-CD2 4.01Å; A600-L602 PolarHBondContact O-N 2.99Å; L602-V604 HydrophobicContact CD1-CG2 4.42Å; L602-V604 HydrophobicContact CD2-CG2 4.48Å; L602-V604 HydrophobicContact CG-CG2 4.31Å; L602-F633 HydrophobicContact CD2-CE2 3.69Å; L602-F633 HydrophobicContact CD2-CZ 3.62Å; L602-F633 HydrophobicContact CG-CZ 4.3Å
603M98.6Very high96.8Very high1 Ų129.1 Ų29.11%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-126144.6162-56.9-168.963.100108.8L525 F552 M553 A554 Y649 Y650 Y651L525-M603 HydrophobicContact CD2-SD 4.04Å; F552-M603 PolarHBondContact O-N 2.97Å; M553-M603 CarbonylContact C-O 3.56Å; M553-M603 VanDerWaalsContact CA-O 3.26Å; M553-M603 WeakPolarHBondContact CA-O 3.35Å; A554-M603 PolarHBondContact N-O 3.48Å; M603-Y649 CarbonylContact C-O 3.45Å; M603-Y649 WeakPolarHBondContact CA-O 3.32Å; M603-Y650 WeakPolarHBondContact CE-O 3.42Å; M603-Y651 HydrophobicContact CB-CD2 4.25Å; M603-Y651 HydrophobicContact CE-CD2 3.98Å; M603-Y651 HydrophobicContact CE-CE2 4.13Å; M603-Y651 HydrophobicContact SD-CD2 4.23Å; M603-Y651 HydrophobicContact SD-CE2 4.03Å
604V98.8Very high96.8Very high0 Ų029.4 Ų29.40%019%0.185CC..EExtended strand (participates in β ladder)trans-112.8128.9-178.5177.50000110.4A554 F556 L574 L602 P606 F633 Y649 Y650 Y651A554-V604 WeakPolarHBondContact O-CA 3.44Å; F556-V604 HydrophobicContact CD2-CG1 3.73Å; F556-V604 HydrophobicContact CE2-CG1 3.78Å; L574-V604 HydrophobicContact CD1-CG2 3.81Å; L602-V604 HydrophobicContact CD1-CG2 4.42Å; L602-V604 HydrophobicContact CD2-CG2 4.48Å; L602-V604 HydrophobicContact CG-CG2 4.31Å; V604-P606 WeakPolarHBondContact O-CD 3.43Å; V604-F633 HydrophobicContact CB-CD1 4.15Å; V604-F633 HydrophobicContact CB-CE1 4.26Å; V604-F633 HydrophobicContact CB-CG 4.43Å; V604-F633 HydrophobicContact CG1-CG 4.47Å; V604-F633 HydrophobicContact CG2-CD1 3.69Å; V604-F633 HydrophobicContact CG2-CD2 3.77Å; V604-F633 HydrophobicContact CG2-CE1 3.51Å; V604-F633 HydrophobicContact CG2-CE2 3.6Å; V604-F633 HydrophobicContact CG2-CG 3.82Å; V604-F633 HydrophobicContact CG2-CZ 3.46Å; V604-F633 VanDerWaalsContact CG2-CZ 3.46Å; V604-Y649 PolarHBondContact N-O 2.91Å; V604-Y650 HydrophobicContact CB-CD1 4.2Å; V604-Y650 HydrophobicContact CB-CE1 4.41Å; V604-Y650 CarbonylContact O-C 3.59Å; V604-Y650 WeakPolarHBondContact O-CA 3.42Å; V604-Y651 PolarHBondContact O-N 3.08Å
605R98.8Very high96.6Very high5 Ų527.2 Ų27.22%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-98.8102.4171-174.7165.173.4164.5-0.5109M553 A554 D555 F556 E557 Y651 P653M553-R605 HydrophobicContact CE-CB 4.17Å; M553-R605 VanDerWaalsContact CE-NE 3.31Å; M553-R605 HydrophobicContact CG-CB 3.91Å; M553-R605 HydrophobicContact SD-CB 3.79Å; M553-R605 HydrophobicContact SD-CG 4.32Å; A554-R605 PolarHBondContact O-N 3.27Å; D555-R605 VanDerWaalsContact CG-NH2 3.26Å; D555-R605 IonicContact OD1-CZ 3.45Å; D555-R605 IonicContact OD1-NE 2.81Å; D555-R605 PolarHBondContact OD1-NE 3.3Å; D555-R605 IonicContact OD1-NH2 2.94Å; D555-R605 PolarHBondContact OD1-NH2 2.92Å; D555-R605 IonicContact OD2-CZ 2.85Å; D555-R605 IonicContact OD2-NE 3.33Å; D555-R605 IonicContact OD2-NH2 2.7Å; D555-R605 PolarHBondContact OD2-NH2 3.45Å; F556-R605 WeakPolarHBondContact CB-O 3.01Å; F556-R605 PolarHBondContact N-O 3.49Å; E557-R605 HydrophobicContact CB-CG 4.03Å; E557-R605 IonicContact OE2-CZ 3.63Å; E557-R605 IonicContact OE2-NE 2.69Å; E557-R605 IonicContact OE2-NH1 3.85Å; E557-R605 IonicContact OE2-NH2 3.6Å; R605-Y651 WeakPolarHBondContact CA-O 3.42Å; R605-P653 HydrophobicContact CG-CB 4.4Å; R605-P653 HydrophobicContact CG-CG 4.13Å
606P98.8Very high96.5Very high0 Ų025.3 Ų25.30%016%0.156CC..PPolyproline II helixtrans-74.4161.8173.533.6-30.7000110.2V604 D629 Y651 P653 W664V604-P606 WeakPolarHBondContact O-CD 3.43Å; P606-D629 HydrophobicContact CB-CB 3.61Å; P606-Y651 WeakPolarHBondContact CD-O 3.35Å; P606-P653 WeakPolarHBondContact O-CD 3.27Å; P606-P653 WeakPolarHBondContact O-CG 3.33Å; P606-W664 HydrophobicContact CG-CH2 4.05Å; P606-W664 HydrophobicContact CG-CZ2 4.37Å
607R98.7Very high96.4Very high2 Ų223.6 Ų23.61%0.00814%0.144CC..PPolyproline II helixtrans-57.1144.6173.6-75.7172.2-75.1170.41.8112.1F556 L611 E613 A625 S626 D629F556-R607 WeakPolarHBondContact O-CG 3.38Å; R607-L611 HydrophobicContact CB-CB 4.25Å; R607-L611 HydrophobicContact CB-CD1 3.85Å; R607-L611 HydrophobicContact CG-CD1 3.89Å; R607-E613 IonicContact CZ-OE2 3.54Å; R607-E613 VanDerWaalsContact CZ-OE2 3.22Å; R607-E613 IonicContact NH1-OE2 3.58Å; R607-E613 PolarHBondContact NH1-OE2 2.77Å; R607-E613 IonicContact NH2-OE2 3.36Å; R607-E613 PolarHBondContact NH2-OE2 3.23Å; R607-A625 HydrophobicContact CB-CB 3.67Å; R607-A625 HydrophobicContact CG-CB 4.34Å; R607-S626 VanDerWaalsContact O-CA 3.26Å; R607-S626 WeakPolarHBondContact O-CA 3.44Å; R607-S626 WeakPolarHBondContact O-CB 3.37Å; R607-S626 PolarHBondContact O-OG 3.13Å; R607-D629 WeakPolarHBondContact CB-OD2 3.36Å; R607-D629 VanDerWaalsContact CG-OD2 3.27Å; R607-D629 WeakPolarHBondContact CG-OD2 3.34Å; R607-D629 IonicContact CZ-OD1 2.7Å; R607-D629 IonicContact CZ-OD2 2.75Å; R607-D629 PolarHBondContact N-OD2 3.21Å; R607-D629 IonicContact NE-OD1 3.03Å; R607-D629 PolarHBondContact NE-OD1 3.33Å; R607-D629 IonicContact NE-OD2 3.35Å; R607-D629 PolarHBondContact NE-OD2 2.86Å; R607-D629 IonicContact NH2-OD1 2.67Å; R607-D629 PolarHBondContact NH2-OD1 3.39Å; R607-D629 IonicContact NH2-OD2 2.74Å
608G98.1Very high96.4Very high1 Ų119.1 Ų19.11%0.0111%0.107CC..PPolyproline II helixtrans-68.7162.1-179.700000114H610 L611 S626G608-H610 PolarHBondContact O-N 3.43Å; G608-L611 PolarHBondContact O-N 3.46Å; G608-S626 PolarHBondContact O-OG 3.36Å; G608-S626 VanDerWaalsContact O-OG 3.13Å
609W98.5Very high96.2Very high5 Ų517.7 Ų17.72%0.01910%0.099CC..THydrogen-bonded Turntrans-56.7-22.4-171.4-75.7132.6000115.7R482 L486 L611 S626 L627 L663 W664 V667R482-W609 HydrophobicContact CG-CD2 4.41Å; R482-W609 HydrophobicContact CG-CE3 3.84Å; R482-W609 HydrophobicContact CG-CZ3 4.39Å; R482-W609 PolarHBondContact NE-O 3.12Å; R482-W609 PolarHBondContact NH2-O 3.12Å; L486-W609 HydrophobicContact CD2-CB 4.32Å; W609-L611 VanDerWaalsContact C-N 3.32Å; W609-S626 WeakPolarHBondContact CA-OG 3.46Å; W609-S626 VanDerWaalsContact CE3-CB 3.48Å; W609-S626 VanDerWaalsContact CZ3-CB 3.48Å; W609-S626 PolarHBondContact N-OG 3.02Å; W609-L627 HydrophobicContact CH2-CD2 3.92Å; W609-L627 HydrophobicContact CZ3-CD2 3.96Å; W609-L627 HydrophobicContact CZ3-CG 4.08Å; W609-L663 HydrophobicContact CD2-CD2 4.45Å; W609-L663 HydrophobicContact CH2-CD2 3.92Å; W609-L663 HydrophobicContact CH2-CG 4.15Å; W609-L663 HydrophobicContact CZ2-CB 4.48Å; W609-L663 HydrophobicContact CZ2-CD2 3.71Å; W609-L663 HydrophobicContact CZ2-CG 3.86Å; W609-L663 HydrophobicContact CZ3-CD2 4.34Å; W609-W664 HydrophobicContact CD2-CZ2 4.44Å; W609-W664 AromaticContact CE2-CD1 3.82Å; W609-W664 AromaticContact CE2-CE2 3.53Å; W609-W664 AromaticContact CE2-CZ2 3.91Å; W609-W664 AromaticContact CE2-NE1 3.32Å; W609-W664 VanDerWaalsContact CE2-NE1 3.32Å; W609-W664 HydrophobicContact CH2-CD2 4Å; W609-W664 AromaticContact CH2-CE2 3.85Å; W609-W664 HydrophobicContact CH2-CE3 4.13Å; W609-W664 AromaticContact CH2-CH2 3.98Å; W609-W664 HydrophobicContact CH2-CH2 3.98Å; W609-W664 AromaticContact CH2-CZ2 3.85Å; W609-W664 HydrophobicContact CH2-CZ2 3.85Å; W609-W664 HydrophobicContact CH2-CZ3 4.11Å; W609-W664 AromaticContact CZ2-CD1 3.67Å; W609-W664 AromaticContact CZ2-CD2 3.4Å; W609-W664 HydrophobicContact CZ2-CD2 3.4Å; W609-W664 AromaticContact CZ2-CE2 3.18Å; W609-W664 AromaticContact CZ2-CE3 3.98Å; W609-W664 HydrophobicContact CZ2-CE3 3.98Å; W609-W664 AromaticContact CZ2-CG 3.71Å; W609-W664 HydrophobicContact CZ2-CG 3.71Å; W609-W664 HydrophobicContact CZ2-CH2 4.17Å; W609-W664 AromaticContact CZ2-CZ2 3.61Å; W609-W664 HydrophobicContact CZ2-CZ2 3.61Å; W609-W664 HydrophobicContact CZ2-CZ3 4.33Å; W609-W664 AromaticContact CZ2-NE1 3.38Å; W609-W664 HydrophobicContact CZ3-CZ2 4.38Å; W609-W664 AromaticContact NE1-CD1 3.49Å; W609-W664 AromaticContact NE1-CE2 3.84Å; W609-W664 AromaticContact NE1-NE1 3.12Å; W609-W664 VanDerWaalsContact NE1-NE1 3.12Å; W609-V667 HydrophobicContact CH2-CG2 4.46Å
610H97.1Very high95.7Very high19 Ų1918.3 Ų18.39%0.08812%0.115CC..THydrogen-bonded Turntrans-76.8-16.2-178.965-81000113.5L486 G608 F957L486-H610 HydrophobicContact CD2-CB 4.43Å; G608-H610 PolarHBondContact O-N 3.43Å; H610-F957 HydrophobicContact CB-CD2 4.08Å; H610-F957 HydrophobicContact CB-CE2 3.82Å; H610-F957 AromaticContact CD2-CD2 3.17Å; H610-F957 WeakPolarHBondContact CD2-CD2 3.33Å; H610-F957 AromaticContact CD2-CE2 3.54Å; H610-F957 AromaticContact CD2-CG 3.56Å; H610-F957 AromaticContact CE1-CE1 3.91Å; H610-F957 AromaticContact CE1-CE2 3.93Å; H610-F957 AromaticContact CE1-CZ 3.83Å; H610-F957 AromaticContact CG-CD2 3.53Å; H610-F957 AromaticContact CG-CE2 3.38Å; H610-F957 AromaticContact ND1-CE2 3.63Å; H610-F957 AromaticContact ND1-CZ 3.76Å; H610-F957 AromaticContact NE2-CD1 3.74Å; H610-F957 AromaticContact NE2-CD2 3.59Å; H610-F957 AromaticContact NE2-CE2 3.89Å; H610-F957 AromaticContact NE2-CG 3.51Å
611L97.9Very high95.3Very high11 Ų1122.5 Ų22.56%0.05813%0.134CC..  trans-91.4136.2-179.2-70.6168.4000111.7R482 R607 G608 W609 A625 L960R482-L611 PolarHBondContact NH2-O 3.03Å; R482-L611 VanDerWaalsContact NH2-O 3.15Å; R607-L611 HydrophobicContact CB-CB 4.25Å; R607-L611 HydrophobicContact CB-CD1 3.85Å; R607-L611 HydrophobicContact CG-CD1 3.89Å; G608-L611 PolarHBondContact O-N 3.46Å; W609-L611 VanDerWaalsContact C-N 3.32Å; L611-A625 HydrophobicContact CB-CB 3.77Å; L611-A625 VanDerWaalsContact O-CB 3.3Å; L611-A625 WeakPolarHBondContact O-CB 3.42Å; L611-A625 PolarHBondContact O-N 2.6Å; L611-L960 HydrophobicContact CD2-CD2 4.16Å
612D97.4Very high95.1Very high41 Ų4123 Ų2322%0.21914%0.137CC..EExtended strand (participates in β ladder)trans-95.6154.3164.4-69.3-30.5000109.5R482 L614 P622 M623 Y963R482-D612 IonicContact CZ-OD1 3.28Å; R482-D612 IonicContact NH1-OD1 2.8Å; R482-D612 PolarHBondContact NH1-OD1 3.47Å; R482-D612 IonicContact NH2-OD1 2.81Å; R482-D612 PolarHBondContact NH2-OD1 2.89Å; D612-L614 HydrophobicContact CB-CD2 4.15Å; D612-P622 HydrophobicContact CB-CB 3.79Å; D612-M623 CarbonylContact C-O 3.37Å; D612-M623 WeakPolarHBondContact CA-O 3.27Å; D612-Y963 VanDerWaalsContact O-CE1 3.22Å; D612-Y963 WeakPolarHBondContact O-CE1 3.1Å
613E96Very high95Very high0 Ų022.6 Ų22.60%014%0.135CC..EExtended strand (participates in β ladder)trans-92.798.5164.5173.251.6-105.500107.2W564 R607 H615 A616 M623 A625 F628 Y963W564-E613 HydrophobicContact CZ3-CG 4.17Å; R607-E613 IonicContact CZ-OE2 3.54Å; R607-E613 VanDerWaalsContact CZ-OE2 3.22Å; R607-E613 IonicContact NH1-OE2 3.58Å; R607-E613 PolarHBondContact NH1-OE2 2.77Å; R607-E613 IonicContact NH2-OE2 3.36Å; R607-E613 PolarHBondContact NH2-OE2 3.23Å; E613-H615 PolarHBondContact O-N 3.33Å; E613-H615 VanDerWaalsContact OE1-CB 3.31Å; E613-H615 WeakPolarHBondContact OE1-CB 3.44Å; E613-H615 IonicContact OE1-CD2 2.73Å; E613-H615 PolarHBondContact OE1-CD2 3.18Å; E613-H615 IonicContact OE1-CG 3.2Å; E613-H615 PolarHBondContact OE1-N 2.98Å; E613-A616 HydrophobicContact CB-CB 4.39Å; E613-A616 HydrophobicContact CG-CB 3.65Å; E613-A616 PolarHBondContact O-N 3.09Å; E613-A616 VanDerWaalsContact O-N 3.09Å; E613-M623 PolarHBondContact N-O 2.94Å; E613-A625 HydrophobicContact CB-CB 4.45Å; E613-F628 HydrophobicContact CB-CB 4.27Å; E613-F628 HydrophobicContact CB-CG 4.27Å; E613-F628 HydrophobicContact CG-CD1 4.15Å; E613-F628 HydrophobicContact CG-CD2 4.13Å; E613-F628 HydrophobicContact CG-CE1 4.36Å; E613-F628 HydrophobicContact CG-CE2 4.36Å; E613-F628 HydrophobicContact CG-CG 4.02Å; E613-F628 HydrophobicContact CG-CZ 4.47Å; E613-Y963 PolarHBondContact OE1-OH 3.34Å
614L93.9Very high95Very high46 Ų4622.6 Ų22.624%0.24114%0.135CC..EExtended strand (participates in β ladder)trans-73.4-12.8-171.5-67.3177.2000112.6D612 P622 Y963 I967D612-L614 HydrophobicContact CB-CD2 4.15Å; L614-P622 HydrophobicContact CD2-CB 4.04Å; L614-P622 HydrophobicContact CD2-CG 3.93Å; L614-Y963 HydrophobicContact CB-CE1 3.88Å; L614-Y963 HydrophobicContact CD1-CD1 3.55Å; L614-Y963 HydrophobicContact CD1-CE1 3.69Å; L614-Y963 HydrophobicContact CD1-CG 4.27Å; L614-Y963 HydrophobicContact CG-CD1 3.91Å; L614-Y963 HydrophobicContact CG-CE1 3.54Å; L614-Y963 PolarHBondContact N-OH 3.14Å; L614-I967 HydrophobicContact CB-CD1 3.69Å; L614-I967 HydrophobicContact CB-CG1 3.77Å; L614-I967 HydrophobicContact CD1-CD1 4.38Å; L614-I967 HydrophobicContact CD1-CG1 3.62Å; L614-I967 HydrophobicContact CG-CG1 4.33Å
615H91.7Very high95Very high2 Ų222.6 Ų22.61%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-86.5-6.5170.6-59.1-71000114.3F453 T454 L455 W564 E613 I967 L971F453-H615 CarbonylContact C-O 3.54Å; F453-H615 WeakPolarHBondContact CA-O 3.44Å; F453-H615 WeakPolarHBondContact CB-O 3.26Å; T454-H615 PolarHBondContact N-O 2.82Å; T454-H615 WeakPolarHBondContact OG1-CA 3.43Å; T454-H615 PolarHBondContact OG1-ND1 2.76Å; L455-H615 WeakPolarHBondContact CD1-CE1 3.43Å; L455-H615 WeakPolarHBondContact CD1-ND1 3.25Å; W564-H615 HydrophobicContact CD2-CB 3.9Å; W564-H615 HydrophobicContact CE3-CB 3.4Å; W564-H615 VanDerWaalsContact CE3-CB 3.4Å; W564-H615 AromaticContact CE3-CD2 3.93Å; W564-H615 AromaticContact CE3-CG 3.92Å; W564-H615 HydrophobicContact CH2-CB 4.39Å; W564-H615 HydrophobicContact CZ3-CB 3.69Å; E613-H615 PolarHBondContact O-N 3.33Å; E613-H615 VanDerWaalsContact OE1-CB 3.31Å; E613-H615 WeakPolarHBondContact OE1-CB 3.44Å; E613-H615 IonicContact OE1-CD2 2.73Å; E613-H615 PolarHBondContact OE1-CD2 3.18Å; E613-H615 IonicContact OE1-CG 3.2Å; E613-H615 PolarHBondContact OE1-N 2.98Å; H615-I967 WeakPolarHBondContact CE1-CD1 3.29Å; H615-I967 WeakPolarHBondContact NE2-CD1 3.36Å; H615-L971 PolarHBondContact NE2-O 3.28Å
616A92.4Very high95Very high0 Ų022.3 Ų22.30%013%0.134CC..EExtended strand (participates in β ladder)trans-128.1120-179.200000110.4L451 A452 F453 E613 M623 F628L451-A616 HydrophobicContact CD1-CB 4.2Å; A452-A616 CarbonylContact O-C 3.43Å; F453-A616 HydrophobicContact CD1-CB 3.89Å; F453-A616 HydrophobicContact CE1-CB 3.91Å; E613-A616 HydrophobicContact CB-CB 4.39Å; E613-A616 HydrophobicContact CG-CB 3.65Å; E613-A616 PolarHBondContact O-N 3.09Å; E613-A616 VanDerWaalsContact O-N 3.09Å; A616-M623 HydrophobicContact CB-CB 4.47Å; A616-M623 WeakPolarHBondContact O-CB 3.37Å; A616-M623 PolarHBondContact O-N 3.16Å; A616-F628 HydrophobicContact CB-CD2 3.97Å; A616-F628 HydrophobicContact CB-CE2 3.71Å
617S93Very high95Very high17 Ų1722.3 Ų22.312%0.11913%0.134CC..EExtended strand (participates in β ladder)trans-130.7144.7-175.8640000112.1L451 A452 Q621L451-S617 CarbonylContact C-O 3.58Å; A452-S617 WeakPolarHBondContact CB-OG 3.35Å; A452-S617 PolarHBondContact N-O 2.84Å; A452-S617 PolarHBondContact O-N 2.93Å; A452-S617 PolarHBondContact O-OG 2.74Å; A452-S617 VanDerWaalsContact O-OG 3.13Å; S617-Q621 CarbonylContact C-O 3.05Å; S617-Q621 WeakPolarHBondContact CA-O 3.49Å; S617-Q621 WeakPolarHBondContact CB-O 3.27Å
618I91.9Very high95Very high2 Ų222.2 Ų22.21%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-124.3124.3175.6-67.8162.1000107K450 L451 V472 H475 G620 Q621 M623K450-I618 HydrophobicContact CB-CG2 4.34Å; L451-I618 HydrophobicContact CB-CG1 4.23Å; L451-I618 HydrophobicContact CD1-CD1 3.95Å; L451-I618 HydrophobicContact CD1-CG1 3.59Å; V472-I618 HydrophobicContact CB-CD1 4.37Å; V472-I618 HydrophobicContact CG2-CD1 4.1Å; V472-I618 HydrophobicContact CG2-CG1 4.34Å; H475-I618 HydrophobicContact CB-CD1 3.26Å; H475-I618 VanDerWaalsContact CG-CD1 3.43Å; I618-G620 PolarHBondContact O-N 2.98Å; I618-G620 VanDerWaalsContact O-N 3.11Å; I618-Q621 PolarHBondContact N-O 2.76Å; I618-Q621 PolarHBondContact O-N 3.09Å; I618-M623 HydrophobicContact CD1-SD 4.24Å
619D87.4Confident95Very high121 Ų12122.2 Ų22.265%0.64713%0.133SC*.THydrogen-bonded Turntrans50.835.9-173.5-61.4-37.1000113.2Q621D619-Q621 VanDerWaalsContact C-N 3.27Å; D619-Q621 PolarHBondContact O-N 3.23Å
620G84.9Confident95Very high67 Ų6722 Ų2269%0.69113%0.132SC*.THydrogen-bonded Turntrans78.40.6-18000000115.2I618I618-G620 PolarHBondContact O-N 2.98Å; I618-G620 VanDerWaalsContact O-N 3.11Å
621Q91.1Very high95.1Very high97 Ų9721 Ų2145%0.45313%0.128SC..EExtended strand (participates in β ladder)trans-96.4129.5173.6-61.4-168.315.900110.4S617 I618 D619 M623S617-Q621 CarbonylContact C-O 3.05Å; S617-Q621 WeakPolarHBondContact CA-O 3.49Å; S617-Q621 WeakPolarHBondContact CB-O 3.27Å; I618-Q621 PolarHBondContact N-O 2.76Å; I618-Q621 PolarHBondContact O-N 3.09Å; D619-Q621 VanDerWaalsContact C-N 3.27Å; D619-Q621 PolarHBondContact O-N 3.23Å; Q621-M623 PolarHBondContact O-N 2.99Å
622P94.3Very high95.1Very high38 Ų3820.6 Ų20.625%0.24713%0.126CC..EExtended strand (participates in β ladder)trans-54.4138.3171.2-26.535.2000111.7D612 L614D612-P622 HydrophobicContact CB-CB 3.79Å; L614-P622 HydrophobicContact CD2-CB 4.04Å; L614-P622 HydrophobicContact CD2-CG 3.93Å
623M96.5Very high95.2Very high0 Ų018.7 Ų18.70%012%0.116CC..EExtended strand (participates in β ladder)trans-75.5148.2176.6-175.7169.2-17900110.2L471 L474 H475 D612 E613 A616 I618 Q621 A625 L627 F628L471-M623 HydrophobicContact CB-CE 3.89Å; L471-M623 HydrophobicContact CB-SD 4.06Å; L471-M623 HydrophobicContact CD2-CE 3.78Å; L471-M623 HydrophobicContact CD2-SD 4.46Å; L471-M623 HydrophobicContact CG-CE 4.39Å; L471-M623 VanDerWaalsContact O-CE 3.24Å; L471-M623 WeakPolarHBondContact O-CE 3.3Å; L474-M623 HydrophobicContact CB-CE 4.36Å; H475-M623 HydrophobicContact CB-CE 4.22Å; H475-M623 HydrophobicContact CB-CG 4.35Å; H475-M623 HydrophobicContact CB-SD 4.44Å; D612-M623 CarbonylContact C-O 3.37Å; D612-M623 WeakPolarHBondContact CA-O 3.27Å; E613-M623 PolarHBondContact N-O 2.94Å; A616-M623 HydrophobicContact CB-CB 4.47Å; A616-M623 WeakPolarHBondContact O-CB 3.37Å; A616-M623 PolarHBondContact O-N 3.16Å; I618-M623 HydrophobicContact CD1-SD 4.24Å; Q621-M623 PolarHBondContact O-N 2.99Å; M623-A625 PolarHBondContact O-N 2.99Å; M623-L627 HydrophobicContact CE-CB 3.67Å; M623-F628 HydrophobicContact SD-CD2 4.04Å
624S98.6Very high95.3Very high0 Ų018.7 Ų18.70%012%0.116CC..EExtended strand (participates in β ladder)trans-55.8124.7166.51750000111.2R482 S626 L627 F628R482-S624 WeakPolarHBondContact CD-OG 3.41Å; R482-S624 PolarHBondContact NE-OG 3.22Å; S624-S626 PolarHBondContact O-N 3.33Å; S624-S626 WeakPolarHBondContact OG-CB 3.38Å; S624-S626 PolarHBondContact OG-N 3.33Å; S624-L627 PolarHBondContact O-N 2.78Å; S624-L627 PolarHBondContact OG-N 3.44Å; S624-F628 PolarHBondContact O-N 3.49Å
625A98.5Very high95.6Very high0 Ų019 Ų190%012%0.115CC..Hα-helixtrans-59-37.6173.700000111.8R607 L611 E613 M623 L627 F628 D629R607-A625 HydrophobicContact CB-CB 3.67Å; R607-A625 HydrophobicContact CG-CB 4.34Å; L611-A625 HydrophobicContact CB-CB 3.77Å; L611-A625 VanDerWaalsContact O-CB 3.3Å; L611-A625 WeakPolarHBondContact O-CB 3.42Å; L611-A625 PolarHBondContact O-N 2.6Å; E613-A625 HydrophobicContact CB-CB 4.45Å; M623-A625 PolarHBondContact O-N 2.99Å; A625-L627 PolarHBondContact O-N 2.75Å; A625-F628 WeakPolarHBondContact O-CB 3.44Å; A625-F628 PolarHBondContact O-N 2.76Å; A625-D629 VanDerWaalsContact O-CG 3.24Å; A625-D629 PolarHBondContact O-N 3.01Å
626S98.8Very high95.9Very high0 Ų019.9 Ų19.90%012%0.119CC..Hα-helixtrans-56.9-47.5175.3-47.80000112.2R607 G608 W609 S624 F630R607-S626 VanDerWaalsContact O-CA 3.26Å; R607-S626 WeakPolarHBondContact O-CA 3.44Å; R607-S626 WeakPolarHBondContact O-CB 3.37Å; R607-S626 PolarHBondContact O-OG 3.13Å; G608-S626 PolarHBondContact O-OG 3.36Å; G608-S626 VanDerWaalsContact O-OG 3.13Å; W609-S626 WeakPolarHBondContact CA-OG 3.46Å; W609-S626 VanDerWaalsContact CE3-CB 3.48Å; W609-S626 VanDerWaalsContact CZ3-CB 3.48Å; W609-S626 PolarHBondContact N-OG 3.02Å; S624-S626 PolarHBondContact O-N 3.33Å; S624-S626 WeakPolarHBondContact OG-CB 3.38Å; S624-S626 PolarHBondContact OG-N 3.33Å; S626-F630 WeakPolarHBondContact O-CB 3.13Å; S626-F630 PolarHBondContact O-N 3Å; S626-F630 VanDerWaalsContact O-N 3.13Å
627L98.8Very high96.2Very high0 Ų019.9 Ų19.90%012%0.119CC..Hα-helixtrans-70.3-34.7178.7-62.1-179.8000111.7F478 W609 M623 S624 A625 G631 V667F478-L627 HydrophobicContact CB-CD1 4.07Å; F478-L627 HydrophobicContact CB-CD2 4.47Å; W609-L627 HydrophobicContact CH2-CD2 3.92Å; W609-L627 HydrophobicContact CZ3-CD2 3.96Å; W609-L627 HydrophobicContact CZ3-CG 4.08Å; M623-L627 HydrophobicContact CE-CB 3.67Å; S624-L627 PolarHBondContact O-N 2.78Å; S624-L627 PolarHBondContact OG-N 3.44Å; A625-L627 PolarHBondContact O-N 2.75Å; L627-G631 VanDerWaalsContact O-CA 3.29Å; L627-G631 WeakPolarHBondContact O-CA 3.1Å; L627-G631 PolarHBondContact O-N 3.47Å; L627-V667 HydrophobicContact CD2-CG1 4.14Å; L627-V667 HydrophobicContact CD2-CG2 3.88Å
628F98.4Very high96.4Very high0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-63.7-53.9178.1-167.8-93.1000111.5F453 L463 L471 W564 V567 I568 E613 A616 M623 S624 A625 G631 L632F453-F628 HydrophobicContact CE1-CE2 4.23Å; L463-F628 HydrophobicContact CD2-CZ 4.33Å; L471-F628 HydrophobicContact CD1-CD2 3.79Å; L471-F628 HydrophobicContact CD1-CE2 3.65Å; L471-F628 HydrophobicContact CD2-CD2 4.49Å; W564-F628 HydrophobicContact CH2-CE1 4.4Å; W564-F628 HydrophobicContact CH2-CE2 4.3Å; W564-F628 AromaticContact CH2-CZ 3.61Å; W564-F628 HydrophobicContact CH2-CZ 3.61Å; W564-F628 HydrophobicContact CZ3-CE1 4.02Å; W564-F628 HydrophobicContact CZ3-CE2 4.37Å; W564-F628 AromaticContact CZ3-CZ 3.6Å; W564-F628 HydrophobicContact CZ3-CZ 3.6Å; V567-F628 HydrophobicContact CG1-CD1 3.95Å; V567-F628 HydrophobicContact CG1-CE1 3.73Å; I568-F628 HydrophobicContact CD1-CE1 3.93Å; I568-F628 HydrophobicContact CD1-CZ 3.91Å; E613-F628 HydrophobicContact CB-CB 4.27Å; E613-F628 HydrophobicContact CB-CG 4.27Å; E613-F628 HydrophobicContact CG-CD1 4.15Å; E613-F628 HydrophobicContact CG-CD2 4.13Å; E613-F628 HydrophobicContact CG-CE1 4.36Å; E613-F628 HydrophobicContact CG-CE2 4.36Å; E613-F628 HydrophobicContact CG-CG 4.02Å; E613-F628 HydrophobicContact CG-CZ 4.47Å; A616-F628 HydrophobicContact CB-CD2 3.97Å; A616-F628 HydrophobicContact CB-CE2 3.71Å; M623-F628 HydrophobicContact SD-CD2 4.04Å; S624-F628 PolarHBondContact O-N 3.49Å; A625-F628 WeakPolarHBondContact O-CB 3.44Å; A625-F628 PolarHBondContact O-N 2.76Å; F628-G631 PolarHBondContact O-N 3.21Å; F628-L632 HydrophobicContact CD1-CD1 3.95Å; F628-L632 HydrophobicContact CE1-CD1 3.41Å; F628-L632 VanDerWaalsContact CE1-CD1 3.41Å; F628-L632 HydrophobicContact CE2-CD1 4.27Å; F628-L632 HydrophobicContact CZ-CD1 3.59Å; F628-L632 PolarHBondContact O-N 3.06Å
629D98.8Very high96.7Very high0 Ų022.1 Ų22.10%014%0.139CC..Hα-helixtrans-64.7-48.7-178-61.8-21.7000111.7F556 Q571 P606 R607 A625 F633F556-D629 HydrophobicContact CB-CB 4.37Å; F556-D629 WeakPolarHBondContact CB-OD2 3.2Å; F556-D629 HydrophobicContact CD1-CB 4.44Å; F556-D629 HydrophobicContact CG-CB 4.25Å; Q571-D629 PolarHBondContact NE2-O 3.01Å; P606-D629 HydrophobicContact CB-CB 3.61Å; R607-D629 WeakPolarHBondContact CB-OD2 3.36Å; R607-D629 VanDerWaalsContact CG-OD2 3.27Å; R607-D629 WeakPolarHBondContact CG-OD2 3.34Å; R607-D629 IonicContact CZ-OD1 2.7Å; R607-D629 IonicContact CZ-OD2 2.75Å; R607-D629 PolarHBondContact N-OD2 3.21Å; R607-D629 IonicContact NE-OD1 3.03Å; R607-D629 PolarHBondContact NE-OD1 3.33Å; R607-D629 IonicContact NE-OD2 3.35Å; R607-D629 PolarHBondContact NE-OD2 2.86Å; R607-D629 IonicContact NH2-OD1 2.67Å; R607-D629 PolarHBondContact NH2-OD1 3.39Å; R607-D629 IonicContact NH2-OD2 2.74Å; A625-D629 VanDerWaalsContact O-CG 3.24Å; A625-D629 PolarHBondContact O-N 3.01Å; D629-F633 WeakPolarHBondContact O-CB 3.02Å; D629-F633 PolarHBondContact O-N 3.24Å
630F98.8Very high97.1Very high0 Ų017.8 Ų17.80%012%0.12CC..Hα-helixtrans-60.5-47.9176.9165.8-91.1000111S626 F633 A634 Y650 W664 V667 F668 T671S626-F630 WeakPolarHBondContact O-CB 3.13Å; S626-F630 PolarHBondContact O-N 3Å; S626-F630 VanDerWaalsContact O-N 3.13Å; F630-F633 PolarHBondContact O-N 3.3Å; F630-A634 HydrophobicContact CE1-CB 4.4Å; F630-A634 HydrophobicContact CZ-CB 4.32Å; F630-A634 VanDerWaalsContact O-CB 3.26Å; F630-A634 WeakPolarHBondContact O-CB 3.41Å; F630-A634 PolarHBondContact O-N 2.97Å; F630-Y650 HydrophobicContact CB-CE1 4.41Å; F630-Y650 AromaticContact CD2-CD1 3.83Å; F630-Y650 HydrophobicContact CD2-CD1 3.83Å; F630-Y650 HydrophobicContact CD2-CD2 4.29Å; F630-Y650 AromaticContact CD2-CE1 3.35Å; F630-Y650 HydrophobicContact CD2-CE1 3.35Å; F630-Y650 AromaticContact CD2-CE2 3.88Å; F630-Y650 HydrophobicContact CD2-CE2 3.88Å; F630-Y650 HydrophobicContact CD2-CG 4.26Å; F630-Y650 AromaticContact CD2-CZ 3.36Å; F630-Y650 HydrophobicContact CE2-CD1 4.48Å; F630-Y650 HydrophobicContact CE2-CD2 4.14Å; F630-Y650 AromaticContact CE2-CE1 3.94Å; F630-Y650 HydrophobicContact CE2-CE1 3.94Å; F630-Y650 AromaticContact CE2-CE2 3.58Å; F630-Y650 HydrophobicContact CE2-CE2 3.58Å; F630-Y650 AromaticContact CE2-CZ 3.44Å; F630-Y650 VanDerWaalsContact CE2-CZ 3.44Å; F630-Y650 HydrophobicContact CG-CE1 4.23Å; F630-W664 HydrophobicContact CB-CH2 4.3Å; F630-W664 HydrophobicContact CB-CZ3 4.11Å; F630-W664 HydrophobicContact CD2-CZ3 4.12Å; F630-W664 HydrophobicContact CG-CZ3 4.01Å; F630-V667 HydrophobicContact CD1-CG1 3.81Å; F630-V667 HydrophobicContact CE1-CG1 3.43Å; F630-V667 VanDerWaalsContact CE1-CG1 3.43Å; F630-V667 HydrophobicContact CZ-CG1 4.01Å; F630-F668 HydrophobicContact CD2-CZ 4.45Å; F630-F668 HydrophobicContact CE2-CD2 4.02Å; F630-F668 AromaticContact CE2-CE2 3.58Å; F630-F668 HydrophobicContact CE2-CE2 3.58Å; F630-F668 AromaticContact CE2-CZ 3.87Å; F630-F668 HydrophobicContact CE2-CZ 3.87Å; F630-F668 HydrophobicContact CZ-CD2 4.24Å; F630-F668 HydrophobicContact CZ-CE2 4.26Å; F630-T671 HydrophobicContact CE1-CG2 4.08Å; F630-T671 VanDerWaalsContact CE1-OG1 3.28Å; F630-T671 WeakPolarHBondContact CE1-OG1 3.48Å; F630-T671 HydrophobicContact CZ-CG2 3.96Å
631G98.5Very high97.8Very high0 Ų014.8 Ų14.80%09%0.088CC..Hα-helixtrans-64.4-49.3-172.100000112F470 L627 F628 A634 F635F470-G631 WeakPolarHBondContact CE1-O 3.23Å; L627-G631 VanDerWaalsContact O-CA 3.29Å; L627-G631 WeakPolarHBondContact O-CA 3.1Å; L627-G631 PolarHBondContact O-N 3.47Å; F628-G631 PolarHBondContact O-N 3.21Å; G631-A634 PolarHBondContact O-N 3.45Å; G631-F635 WeakPolarHBondContact O-CB 3Å; G631-F635 PolarHBondContact O-N 3.01Å
632L98.5Very high98Very high1 Ų112.1 Ų12.11%0.0058%0.075CC..Hα-helixtrans-62.1-45.4176.8-72.7179.2000111.7I462 L463 A467 L471 I568 Q571 F628 H636I462-L632 HydrophobicContact CG2-CD1 4.03Å; I462-L632 HydrophobicContact CG2-CD2 4.28Å; L463-L632 HydrophobicContact CD2-CD1 4.2Å; L463-L632 HydrophobicContact CD2-CD2 4.24Å; A467-L632 HydrophobicContact CB-CD2 4.22Å; L471-L632 HydrophobicContact CD1-CD2 3.81Å; L471-L632 HydrophobicContact CD1-CG 4.04Å; L471-L632 HydrophobicContact CD2-CG 4.3Å; L471-L632 HydrophobicContact CG-CD2 4.32Å; I568-L632 HydrophobicContact CD1-CD1 4.19Å; Q571-L632 HydrophobicContact CG-CB 4.06Å; Q571-L632 HydrophobicContact CG-CD1 4.05Å; F628-L632 HydrophobicContact CD1-CD1 3.95Å; F628-L632 HydrophobicContact CE1-CD1 3.41Å; F628-L632 VanDerWaalsContact CE1-CD1 3.41Å; F628-L632 HydrophobicContact CE2-CD1 4.27Å; F628-L632 HydrophobicContact CZ-CD1 3.59Å; F628-L632 PolarHBondContact O-N 3.06Å; L632-H636 WeakPolarHBondContact O-CB 3.2Å; L632-H636 PolarHBondContact O-CD2 2.99Å; L632-H636 PolarHBondContact O-N 3.3Å; L632-H636 VanDerWaalsContact O-N 3.14Å
633F98.8Very high98.1Very high1 Ų115.2 Ų15.20%0.00410%0.098CC..Hα-helixtrans-64.5-45.5-179.9-179.6-103.4000111.8L574 L602 V604 D629 F630 N637 L641 A648 Y650L574-F633 HydrophobicContact CB-CD2 4.21Å; L574-F633 HydrophobicContact CB-CE2 4.1Å; L574-F633 HydrophobicContact CD1-CD2 3.87Å; L574-F633 HydrophobicContact CD1-CE2 3.98Å; L602-F633 HydrophobicContact CD2-CE2 3.69Å; L602-F633 HydrophobicContact CD2-CZ 3.62Å; L602-F633 HydrophobicContact CG-CZ 4.3Å; V604-F633 HydrophobicContact CB-CD1 4.15Å; V604-F633 HydrophobicContact CB-CE1 4.26Å; V604-F633 HydrophobicContact CB-CG 4.43Å; V604-F633 HydrophobicContact CG1-CG 4.47Å; V604-F633 HydrophobicContact CG2-CD1 3.69Å; V604-F633 HydrophobicContact CG2-CD2 3.77Å; V604-F633 HydrophobicContact CG2-CE1 3.51Å; V604-F633 HydrophobicContact CG2-CE2 3.6Å; V604-F633 HydrophobicContact CG2-CG 3.82Å; V604-F633 HydrophobicContact CG2-CZ 3.46Å; V604-F633 VanDerWaalsContact CG2-CZ 3.46Å; D629-F633 WeakPolarHBondContact O-CB 3.02Å; D629-F633 PolarHBondContact O-N 3.24Å; F630-F633 PolarHBondContact O-N 3.3Å; F633-N637 HydrophobicContact CD2-CB 4.28Å; F633-N637 VanDerWaalsContact CD2-ND2 3.26Å; F633-N637 WeakPolarHBondContact CD2-ND2 3.29Å; F633-N637 HydrophobicContact CE2-CB 3.94Å; F633-N637 HydrophobicContact CZ-CB 4.17Å; F633-N637 VanDerWaalsContact O-CB 3.29Å; F633-N637 WeakPolarHBondContact O-CB 3.09Å; F633-N637 PolarHBondContact O-N 3.05Å; F633-N637 PolarHBondContact O-ND2 3.27Å; F633-N637 VanDerWaalsContact O-ND2 3.15Å; F633-L641 HydrophobicContact CE1-CD1 4.27Å; F633-L641 HydrophobicContact CZ-CD1 3.82Å; F633-A648 HydrophobicContact CD1-CB 4.34Å; F633-A648 HydrophobicContact CE1-CB 3.85Å; F633-Y650 AromaticContact CD1-CE1 3.76Å; F633-Y650 HydrophobicContact CD1-CE1 3.76Å; F633-Y650 AromaticContact CD1-CZ 3.8Å; F633-Y650 WeakPolarHBondContact CD1-OH 3.36Å; F633-Y650 HydrophobicContact CE1-CE1 4.46Å
634A98.7Very high98Very high0 Ų020.9 Ų20.90%012%0.123CC..Hα-helixtrans-59.3-52.1178.100000111.1F630 G631 H636 N637 A638 Y650 T671 L675F630-A634 HydrophobicContact CE1-CB 4.4Å; F630-A634 HydrophobicContact CZ-CB 4.32Å; F630-A634 VanDerWaalsContact O-CB 3.26Å; F630-A634 WeakPolarHBondContact O-CB 3.41Å; F630-A634 PolarHBondContact O-N 2.97Å; G631-A634 PolarHBondContact O-N 3.45Å; A634-H636 VanDerWaalsContact C-N 3.31Å; A634-H636 PolarHBondContact O-N 2.82Å; A634-N637 PolarHBondContact O-N 3.28Å; A634-A638 WeakPolarHBondContact O-CB 3.46Å; A634-A638 PolarHBondContact O-N 3.26Å; A634-Y650 WeakPolarHBondContact CA-OH 3.29Å; A634-Y650 VanDerWaalsContact CB-OH 3.29Å; A634-Y650 WeakPolarHBondContact CB-OH 3.31Å; A634-Y650 PolarHBondContact N-OH 3.14Å; A634-T671 HydrophobicContact CB-CG2 3.83Å; A634-L675 HydrophobicContact CB-CD1 4.37Å
635F98.6Very high97.8Very high53 Ų5323.9 Ų23.923%0.23215%0.154CC..Hα-helixtrans-56.1-46.4-176.6-176.1-88.5000111.6S466 A467 F470 G631 L675S466-F635 WeakPolarHBondContact O-CE2 3.03Å; A467-F635 HydrophobicContact CB-CD1 3.57Å; A467-F635 HydrophobicContact CB-CE1 3.65Å; A467-F635 HydrophobicContact CB-CG 4.11Å; A467-F635 HydrophobicContact CB-CZ 4.24Å; F470-F635 HydrophobicContact CB-CD2 3.78Å; F470-F635 HydrophobicContact CB-CE2 4.13Å; F470-F635 HydrophobicContact CD1-CB 3.89Å; F470-F635 AromaticContact CD1-CD2 3.81Å; F470-F635 HydrophobicContact CD1-CD2 3.81Å; F470-F635 HydrophobicContact CD1-CG 4.26Å; F470-F635 HydrophobicContact CE1-CB 4.22Å; F470-F635 AromaticContact CG-CD2 3.88Å; F470-F635 HydrophobicContact CG-CD2 3.88Å; G631-F635 WeakPolarHBondContact O-CB 3Å; G631-F635 PolarHBondContact O-N 3.01Å; F635-L675 HydrophobicContact CD2-CD2 3.88Å; F635-L675 HydrophobicContact CE2-CD2 4.31Å
636H98.2Very high97.7Very high21 Ų2124.9 Ų24.910%0.09716%0.161CC..Hα-helixtrans-82.5-27.5-174.3-77.7-60.6000114.7V461 I462 Y575 R579 L632 A634V461-H636 PolarHBondContact O-CE1 3.01Å; I462-H636 PolarHBondContact O-NE2 2.91Å; Y575-H636 HydrophobicContact CD2-CB 4.01Å; R579-H636 PolarHBondContact NH2-O 2.82Å; L632-H636 WeakPolarHBondContact O-CB 3.2Å; L632-H636 PolarHBondContact O-CD2 2.99Å; L632-H636 PolarHBondContact O-N 3.3Å; L632-H636 VanDerWaalsContact O-N 3.14Å; A634-H636 VanDerWaalsContact C-N 3.31Å; A634-H636 PolarHBondContact O-N 2.82Å
637N98.6Very high97.6Very high0 Ų024.9 Ų24.90%016%0.161CC..Hα-helixtrans-123.9-22.7-163.8-57.5-62.3000114.8V578 R579 F633 A634 A639 A640 L641V578-N637 HydrophobicContact CG1-CB 4.29Å; V578-N637 HydrophobicContact CG2-CB 4.12Å; R579-N637 PolarHBondContact NH1-OD1 3.29Å; F633-N637 HydrophobicContact CD2-CB 4.28Å; F633-N637 VanDerWaalsContact CD2-ND2 3.26Å; F633-N637 WeakPolarHBondContact CD2-ND2 3.29Å; F633-N637 HydrophobicContact CE2-CB 3.94Å; F633-N637 HydrophobicContact CZ-CB 4.17Å; F633-N637 VanDerWaalsContact O-CB 3.29Å; F633-N637 WeakPolarHBondContact O-CB 3.09Å; F633-N637 PolarHBondContact O-N 3.05Å; F633-N637 PolarHBondContact O-ND2 3.27Å; F633-N637 VanDerWaalsContact O-ND2 3.15Å; A634-N637 PolarHBondContact O-N 3.28Å; N637-A639 PolarHBondContact O-N 2.81Å; N637-A640 PolarHBondContact O-N 3.02Å; N637-A640 VanDerWaalsContact O-N 3.13Å; N637-L641 HydrophobicContact CB-CD1 3.91Å; N637-L641 WeakPolarHBondContact O-CB 3.44Å; N637-L641 WeakPolarHBondContact O-CD1 3.4Å; N637-L641 WeakPolarHBondContact O-CG 3.3Å; N637-L641 PolarHBondContact O-N 2.75Å
638A98.4Very high97.6Very high0 Ų024.9 Ų24.90%016%0.161CC..Hα-helixtrans-59.5-47-172.400000112.7A634 A640 L641 E642 A648 L677 T681 L682A634-A638 WeakPolarHBondContact O-CB 3.46Å; A634-A638 PolarHBondContact O-N 3.26Å; A638-A640 PolarHBondContact O-N 3.19Å; A638-L641 PolarHBondContact O-N 3.44Å; A638-E642 WeakPolarHBondContact O-CB 3.31Å; A638-E642 PolarHBondContact O-N 3.43Å; A638-A648 HydrophobicContact CB-CB 3.82Å; A638-L677 HydrophobicContact CB-CD1 3.56Å; A638-L677 HydrophobicContact CB-CD2 3.83Å; A638-L677 HydrophobicContact CB-CG 4.37Å; A638-T681 HydrophobicContact CB-CG2 4.23Å; A638-L682 HydrophobicContact CB-CD2 4.29Å
639A97.3Very high97.6Very high65 Ų6525.1 Ų25.154%0.53716%0.162SC..Hα-helixtrans-66.1-36177.400000112.8N637 E642 S643 L677N637-A639 PolarHBondContact O-N 2.81Å; A639-E642 PolarHBondContact O-N 2.96Å; A639-S643 PolarHBondContact O-N 3.41Å; A639-L677 HydrophobicContact CB-CD2 4.37Å
640A97.1Very high97.6Very high30 Ų3025.1 Ų25.125%0.24816%0.162CC..Hα-helixtrans-72-32.2177.900000112.6V578 N637 A638 S643V578-A640 HydrophobicContact CG1-CB 3.88Å; N637-A640 PolarHBondContact O-N 3.02Å; N637-A640 VanDerWaalsContact O-N 3.13Å; A638-A640 PolarHBondContact O-N 3.19Å; A640-S643 PolarHBondContact O-OG 3.11Å
641L98.1Very high97.6Very high4 Ų425.1 Ų25.12%0.02116%0.162CC..Hα-helixtrans-72.1-42.9172.7-75.9156.7000110.9V578 F633 N637 A638 S643 K644 G645 S646 G647 A648V578-L641 HydrophobicContact CG1-CD2 4.29Å; V578-L641 HydrophobicContact CG1-CG 3.94Å; V578-L641 HydrophobicContact CG2-CD1 4.23Å; V578-L641 HydrophobicContact CG2-CD2 4.22Å; V578-L641 HydrophobicContact CG2-CG 4.24Å; F633-L641 HydrophobicContact CE1-CD1 4.27Å; F633-L641 HydrophobicContact CZ-CD1 3.82Å; N637-L641 HydrophobicContact CB-CD1 3.91Å; N637-L641 WeakPolarHBondContact O-CB 3.44Å; N637-L641 WeakPolarHBondContact O-CD1 3.4Å; N637-L641 WeakPolarHBondContact O-CG 3.3Å; N637-L641 PolarHBondContact O-N 2.75Å; A638-L641 PolarHBondContact O-N 3.44Å; L641-S643 VanDerWaalsContact C-N 3.33Å; L641-S643 PolarHBondContact O-N 3.29Å; L641-K644 VanDerWaalsContact O-CG 3.3Å; L641-K644 WeakPolarHBondContact O-CG 3.2Å; L641-K644 PolarHBondContact O-N 3.17Å; L641-G645 PolarHBondContact O-N 3.03Å; L641-S646 CarbonylContact C-O 3.54Å; L641-S646 CarbonylContact O-C 3.58Å; L641-S646 WeakPolarHBondContact O-CA 3.26Å; L641-S646 PolarHBondContact O-N 3.3Å; L641-G647 WeakPolarHBondContact CD1-O 3.39Å; L641-A648 HydrophobicContact CD1-CB 4.28Å
642E96.7Very high97.6Very high41 Ų4125.1 Ų25.119%0.19216%0.162CC..Hα-helixtrans-59.4-43.5176.8-169.1-174.3126.400111.9A638 A639 K644 G645 S646 K678 T681A638-E642 WeakPolarHBondContact O-CB 3.31Å; A638-E642 PolarHBondContact O-N 3.43Å; A639-E642 PolarHBondContact O-N 2.96Å; E642-K644 PolarHBondContact O-N 3.2Å; E642-G645 PolarHBondContact O-N 3Å; E642-S646 WeakPolarHBondContact CA-O 3.34Å; E642-K678 HydrophobicContact CG-CD 4.43Å; E642-K678 VanDerWaalsContact OE1-CD 3.3Å; E642-K678 WeakPolarHBondContact OE1-CD 3.41Å; E642-K678 VanDerWaalsContact OE1-CE 3.26Å; E642-K678 WeakPolarHBondContact OE1-CE 3.47Å; E642-K678 WeakPolarHBondContact OE1-CG 3.49Å; E642-K678 IonicContact OE1-NZ 3.8Å; E642-K678 PolarHBondContact OE1-NZ 3.4Å; E642-K678 PolarHBondContact OE2-N 3.21Å; E642-T681 HydrophobicContact CB-CG2 3.93Å; E642-T681 HydrophobicContact CG-CG2 4.34Å; E642-T681 PolarHBondContact OE2-OG1 3.3Å
643S95.8Very high97.6Very high103 Ų10325.1 Ų25.172%0.7216%0.162SC*.Hα-helixtrans-64.8-24.2-177.369.70000113.7A639 A640 L641A639-S643 PolarHBondContact O-N 3.41Å; A640-S643 PolarHBondContact O-OG 3.11Å; L641-S643 VanDerWaalsContact C-N 3.33Å; L641-S643 PolarHBondContact O-N 3.29Å
644K93.8Very high97.6Very high119 Ų11925.3 Ų25.352%0.51716%0.163SC..THydrogen-bonded Turntrans-99.213.1174.668.4-178.5179.9178.30114.1V578 L641 E642V578-K644 PolarHBondContact O-NZ 3.09Å; L641-K644 VanDerWaalsContact O-CG 3.3Å; L641-K644 WeakPolarHBondContact O-CG 3.2Å; L641-K644 PolarHBondContact O-N 3.17Å; E642-K644 PolarHBondContact O-N 3.2Å
645G94.3Very high97.5Very high63 Ų6325.4 Ų25.465%0.64916%0.163SC*.THydrogen-bonded Turntrans80.816.6174.900000115.4L641 E642L641-G645 PolarHBondContact O-N 3.03Å; E642-G645 PolarHBondContact O-N 3Å
646S96.6Very high97.5Very high22 Ų2223.2 Ų23.215%0.15415%0.153CC..  trans-112.2-159.1172.9-167.40000109.8D524 L641 E642D524-S646 WeakPolarHBondContact OD2-CA 3.36Å; D524-S646 VanDerWaalsContact OD2-CB 3.24Å; D524-S646 WeakPolarHBondContact OD2-CB 3.14Å; D524-S646 PolarHBondContact OD2-OG 3.07Å; L641-S646 CarbonylContact C-O 3.54Å; L641-S646 CarbonylContact O-C 3.58Å; L641-S646 WeakPolarHBondContact O-CA 3.26Å; L641-S646 PolarHBondContact O-N 3.3Å; E642-S646 WeakPolarHBondContact CA-O 3.34Å
647G97.6Very high97.5Very high0 Ų022.3 Ų22.30%015%0.15CC..  trans-157.3170.5176.100000112.6L641 Y649 T681L641-G647 WeakPolarHBondContact CD1-O 3.39Å; G647-Y649 VanDerWaalsContact N-CZ 3.25Å; G647-Y649 PolarHBondContact N-OH 2.6Å; G647-Y649 PolarHBondContact O-N 3.22Å; G647-T681 CarbonylContact C-O 3.37Å; G647-T681 VanDerWaalsContact CA-O 3.23Å; G647-T681 WeakPolarHBondContact CA-O 3.42Å
648A98.4Very high97.4Very high0 Ų023.3 Ų23.30%015%0.154CC..EExtended strand (participates in β ladder)trans-80.7100.2170.600000108.8F633 A638 L641 Y650 T681 L682 R683F633-A648 HydrophobicContact CD1-CB 4.34Å; F633-A648 HydrophobicContact CE1-CB 3.85Å; A638-A648 HydrophobicContact CB-CB 3.82Å; L641-A648 HydrophobicContact CD1-CB 4.28Å; A648-Y650 HydrophobicContact CB-CE2 3.92Å; A648-Y650 WeakPolarHBondContact O-CD2 3.48Å; A648-Y650 WeakPolarHBondContact O-CE2 3.43Å; A648-T681 PolarHBondContact N-O 3.01Å; A648-L682 HydrophobicContact CB-CD2 3.85Å; A648-L682 WeakPolarHBondContact O-CA 3.37Å; A648-R683 PolarHBondContact O-N 2.89Å
649Y98.7Very high97.4Very high4 Ų425.1 Ų25.12%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-104.2145-175.2-52.4-33.5000111.1P522 D524 L525 V601 M603 V604 G647 R683P522-Y649 HydrophobicContact CB-CE1 4.46Å; P522-Y649 WeakPolarHBondContact CB-OH 3.29Å; P522-Y649 HydrophobicContact CG-CE1 3.86Å; P522-Y649 WeakPolarHBondContact CG-OH 3.5Å; D524-Y649 WeakPolarHBondContact OD1-CE2 3.24Å; D524-Y649 PolarHBondContact OD1-OH 3.06Å; D524-Y649 WeakPolarHBondContact OD2-CE2 3.44Å; D524-Y649 PolarHBondContact OD2-OH 3.36Å; L525-Y649 HydrophobicContact CD1-CD1 4.05Å; L525-Y649 HydrophobicContact CD1-CD2 3.6Å; L525-Y649 HydrophobicContact CD1-CE1 4.16Å; L525-Y649 HydrophobicContact CD1-CE2 3.72Å; L525-Y649 HydrophobicContact CD1-CG 3.76Å; L525-Y649 HydrophobicContact CD2-CD2 3.94Å; L525-Y649 HydrophobicContact CD2-CE2 4.12Å; L525-Y649 HydrophobicContact CG-CD2 3.84Å; L525-Y649 HydrophobicContact CG-CE2 3.65Å; L525-Y649 HydrophobicContact CG-CG 4.49Å; V601-Y649 HydrophobicContact CG1-CD2 3.82Å; V601-Y649 HydrophobicContact CG1-CE2 3.76Å; M603-Y649 CarbonylContact C-O 3.45Å; M603-Y649 WeakPolarHBondContact CA-O 3.32Å; V604-Y649 PolarHBondContact N-O 2.91Å; G647-Y649 VanDerWaalsContact N-CZ 3.25Å; G647-Y649 PolarHBondContact N-OH 2.6Å; G647-Y649 PolarHBondContact O-N 3.22Å; Y649-R683 CarbonylContact C-O 3.57Å; Y649-R683 VanDerWaalsContact CA-O 3.3Å; Y649-R683 WeakPolarHBondContact CA-O 3.31Å; Y649-R683 HydrophobicContact CD1-CB 3.61Å; Y649-R683 HydrophobicContact CD1-CG 3.84Å; Y649-R683 HydrophobicContact CE1-CB 4.07Å; Y649-R683 HydrophobicContact CE1-CG 3.76Å; Y649-R683 HydrophobicContact CG-CB 4.47Å
650Y98.8Very high97.5Very high0 Ų022.2 Ų22.20%014%0.139CC..EExtended strand (participates in β ladder)trans-130.6149.1-170.9-60.4-88.8000113.1M603 V604 F630 F633 A634 A648 F668 L682 R683 S684 T685M603-Y650 WeakPolarHBondContact CE-O 3.42Å; V604-Y650 HydrophobicContact CB-CD1 4.2Å; V604-Y650 HydrophobicContact CB-CE1 4.41Å; V604-Y650 CarbonylContact O-C 3.59Å; V604-Y650 WeakPolarHBondContact O-CA 3.42Å; F630-Y650 HydrophobicContact CB-CE1 4.41Å; F630-Y650 AromaticContact CD2-CD1 3.83Å; F630-Y650 HydrophobicContact CD2-CD1 3.83Å; F630-Y650 HydrophobicContact CD2-CD2 4.29Å; F630-Y650 AromaticContact CD2-CE1 3.35Å; F630-Y650 HydrophobicContact CD2-CE1 3.35Å; F630-Y650 AromaticContact CD2-CE2 3.88Å; F630-Y650 HydrophobicContact CD2-CE2 3.88Å; F630-Y650 HydrophobicContact CD2-CG 4.26Å; F630-Y650 AromaticContact CD2-CZ 3.36Å; F630-Y650 HydrophobicContact CE2-CD1 4.48Å; F630-Y650 HydrophobicContact CE2-CD2 4.14Å; F630-Y650 AromaticContact CE2-CE1 3.94Å; F630-Y650 HydrophobicContact CE2-CE1 3.94Å; F630-Y650 AromaticContact CE2-CE2 3.58Å; F630-Y650 HydrophobicContact CE2-CE2 3.58Å; F630-Y650 AromaticContact CE2-CZ 3.44Å; F630-Y650 VanDerWaalsContact CE2-CZ 3.44Å; F630-Y650 HydrophobicContact CG-CE1 4.23Å; F633-Y650 AromaticContact CD1-CE1 3.76Å; F633-Y650 HydrophobicContact CD1-CE1 3.76Å; F633-Y650 AromaticContact CD1-CZ 3.8Å; F633-Y650 WeakPolarHBondContact CD1-OH 3.36Å; F633-Y650 HydrophobicContact CE1-CE1 4.46Å; A634-Y650 WeakPolarHBondContact CA-OH 3.29Å; A634-Y650 VanDerWaalsContact CB-OH 3.29Å; A634-Y650 WeakPolarHBondContact CB-OH 3.31Å; A634-Y650 PolarHBondContact N-OH 3.14Å; A648-Y650 HydrophobicContact CB-CE2 3.92Å; A648-Y650 WeakPolarHBondContact O-CD2 3.48Å; A648-Y650 WeakPolarHBondContact O-CE2 3.43Å; Y650-F668 AromaticContact CD2-CE2 3.6Å; Y650-F668 HydrophobicContact CD2-CE2 3.6Å; Y650-F668 AromaticContact CD2-CZ 3.71Å; Y650-F668 HydrophobicContact CD2-CZ 3.71Å; Y650-F668 AromaticContact CE2-CE2 3.86Å; Y650-F668 HydrophobicContact CE2-CE2 3.86Å; Y650-F668 HydrophobicContact CE2-CZ 4.33Å; Y650-F668 HydrophobicContact CG-CE2 4.48Å; Y650-F668 HydrophobicContact CG-CZ 4.17Å; Y650-L682 HydrophobicContact CE2-CD2 4.3Å; Y650-R683 PolarHBondContact N-O 3.5Å; Y650-S684 CarbonylContact O-C 3.52Å; Y650-S684 VanDerWaalsContact O-CA 3.23Å; Y650-S684 WeakPolarHBondContact O-CA 3.45Å; Y650-T685 PolarHBondContact O-N 3.06Å
651Y98.8Very high97.6Very high0 Ų020.8 Ų20.80%013%0.127CC..EExtended strand (participates in β ladder)trans-107.4122163.3-107.3-67.7000108.8R528 E531 M553 M603 V604 R605 P606 P653 T685 L687 N712 W805R528-Y651 PolarHBondContact NH2-OH 3.42Å; E531-Y651 WeakPolarHBondContact OE2-CE2 3.5Å; E531-Y651 VanDerWaalsContact OE2-CZ 3.26Å; E531-Y651 PolarHBondContact OE2-OH 3.37Å; M553-Y651 HydrophobicContact CB-CD2 4.21Å; M553-Y651 HydrophobicContact CG-CD2 3.74Å; M553-Y651 HydrophobicContact CG-CG 4.27Å; M553-Y651 HydrophobicContact SD-CD1 4.4Å; M553-Y651 HydrophobicContact SD-CD2 3.45Å; M553-Y651 WeakPolarHBondContact SD-CD2 3.38Å; M553-Y651 HydrophobicContact SD-CE2 4.16Å; M553-Y651 HydrophobicContact SD-CG 3.57Å; M553-Y651 VanDerWaalsContact SD-CG 3.57Å; M603-Y651 HydrophobicContact CB-CD2 4.25Å; M603-Y651 HydrophobicContact CE-CD2 3.98Å; M603-Y651 HydrophobicContact CE-CE2 4.13Å; M603-Y651 HydrophobicContact SD-CD2 4.23Å; M603-Y651 HydrophobicContact SD-CE2 4.03Å; V604-Y651 PolarHBondContact O-N 3.08Å; R605-Y651 WeakPolarHBondContact CA-O 3.42Å; P606-Y651 WeakPolarHBondContact CD-O 3.35Å; Y651-P653 WeakPolarHBondContact O-CD 3.32Å; Y651-T685 CarbonylContact C-O 3.56Å; Y651-T685 VanDerWaalsContact CA-O 3.26Å; Y651-T685 WeakPolarHBondContact CA-O 3.35Å; Y651-T685 HydrophobicContact CD1-CG2 3.97Å; Y651-T685 WeakPolarHBondContact CD1-O 3.46Å; Y651-T685 VanDerWaalsContact CE1-CB 3.48Å; Y651-T685 HydrophobicContact CE1-CG2 3.23Å; Y651-L687 HydrophobicContact CD1-CD1 3.39Å; Y651-L687 HydrophobicContact CD1-CG 3.94Å; Y651-L687 HydrophobicContact CE1-CD1 4.24Å; Y651-L687 HydrophobicContact CE1-CG 4.32Å; Y651-L687 HydrophobicContact CG-CD1 4.09Å; Y651-N712 HydrophobicContact CE1-CB 3.73Å; Y651-W805 HydrophobicContact CD1-CZ2 4.09Å; Y651-W805 HydrophobicContact CD2-CZ2 4.12Å; Y651-W805 HydrophobicContact CE1-CH2 4.37Å; Y651-W805 AromaticContact CE1-CZ2 3.64Å; Y651-W805 HydrophobicContact CE1-CZ2 3.64Å; Y651-W805 AromaticContact CE2-CZ2 3.7Å; Y651-W805 HydrophobicContact CE2-CZ2 3.7Å; Y651-W805 HydrophobicContact CG-CZ2 4.27Å; Y651-W805 AromaticContact CZ-CE2 3.93Å; Y651-W805 AromaticContact CZ-CZ2 3.42Å; Y651-W805 VanDerWaalsContact CZ-CZ2 3.42Å; Y651-W805 AromaticContact CZ-NE1 3.86Å; Y651-W805 PolarHBondContact OH-NE1 3.32Å
652L98.7Very high97.6Very high0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-103.2108.6-173.6-55.1179.6000110.4M655 W664 F668 T685 L687 M704L652-M655 HydrophobicContact CB-CE 4Å; L652-M655 HydrophobicContact CD1-CE 4.44Å; L652-W664 HydrophobicContact CD1-CB 4.19Å; L652-W664 HydrophobicContact CD1-CD2 4.21Å; L652-W664 HydrophobicContact CD1-CG 3.84Å; L652-W664 HydrophobicContact CD2-CD2 3.95Å; L652-W664 HydrophobicContact CD2-CE3 4.27Å; L652-W664 HydrophobicContact CD2-CG 4.45Å; L652-W664 HydrophobicContact CD2-CH2 4.34Å; L652-W664 HydrophobicContact CD2-CZ2 4.02Å; L652-W664 HydrophobicContact CD2-CZ3 4.46Å; L652-F668 HydrophobicContact CD1-CE1 4.2Å; L652-T685 PolarHBondContact N-O 3.49Å; L652-L687 WeakPolarHBondContact O-CD1 3.22Å; L652-L687 PolarHBondContact O-N 3.03Å; L652-M704 HydrophobicContact CD1-CE 3.67Å; L652-M704 HydrophobicContact CD1-SD 3.99Å
653P98.4Very high97.7Very high1 Ų123.7 Ų23.71%0.00614%0.139CC..  trans-87.8159.3-17233.5-33.5000113.8E557 R605 P606 Y651 M655 L687 E689E557-P653 HydrophobicContact CG-CB 4.48Å; E557-P653 HydrophobicContact CG-CG 4.04Å; R605-P653 HydrophobicContact CG-CB 4.4Å; R605-P653 HydrophobicContact CG-CG 4.13Å; P606-P653 WeakPolarHBondContact O-CD 3.27Å; P606-P653 WeakPolarHBondContact O-CG 3.33Å; Y651-P653 WeakPolarHBondContact O-CD 3.32Å; P653-M655 PolarHBondContact O-N 3.32Å; P653-L687 HydrophobicContact CB-CD1 4.22Å; P653-E689 WeakPolarHBondContact CA-OE1 3.25Å; P653-E689 VanDerWaalsContact CB-OE1 3.25Å; P653-E689 WeakPolarHBondContact CB-OE1 3.21Å
654K97.8Very high97.8Very high6 Ų618.9 Ų18.93%0.02611%0.105CC..SBendtrans50.232.9162.1-62.5174.4171.761.20115.5R489 E557 D558 E689 D717 F957R489-K654 PolarHBondContact NH2-O 2.76Å; E557-K654 VanDerWaalsContact CD-NZ 3.31Å; E557-K654 WeakPolarHBondContact OE1-CD 3.21Å; E557-K654 WeakPolarHBondContact OE1-CE 3.3Å; E557-K654 IonicContact OE1-NZ 3.3Å; E557-K654 PolarHBondContact OE1-NZ 2.54Å; E557-K654 IonicContact OE2-NZ 2.93Å; E557-K654 PolarHBondContact OE2-NZ 3.46Å; D558-K654 IonicContact OD1-NZ 3.34Å; D558-K654 PolarHBondContact OD1-NZ 3.28Å; D558-K654 IonicContact OD2-NZ 3.95Å; D558-K654 PolarHBondContact OD2-NZ 3.21Å; K654-E689 HydrophobicContact CG-CG 4.14Å; K654-E689 WeakPolarHBondContact CG-OE1 3.49Å; K654-E689 PolarHBondContact N-OE1 2.97Å; K654-D717 VanDerWaalsContact CE-OD1 3.26Å; K654-D717 WeakPolarHBondContact CE-OD1 3.39Å; K654-D717 WeakPolarHBondContact CE-OD2 3.33Å; K654-D717 IonicContact NZ-OD1 3.26Å; K654-D717 IonicContact NZ-OD2 2.75Å; K654-D717 PolarHBondContact NZ-OD2 3.07Å; K654-F957 HydrophobicContact CD-CE1 3.72Å; K654-F957 HydrophobicContact CD-CZ 4.18Å
655M97.9Very high98Very high2 Ų215.2 Ų15.21%0.019%0.089CC..  trans-73.7140.7173-72.5-169.4-67.400110.9L652 P653 E660 A661 W664 A686 H690 A693 I700L652-M655 HydrophobicContact CB-CE 4Å; L652-M655 HydrophobicContact CD1-CE 4.44Å; P653-M655 PolarHBondContact O-N 3.32Å; M655-E660 WeakPolarHBondContact CA-OE2 3.39Å; M655-E660 HydrophobicContact CB-CB 4.46Å; M655-E660 HydrophobicContact CG-CB 4.17Å; M655-E660 HydrophobicContact SD-CB 4.24Å; M655-A661 HydrophobicContact SD-CB 4.14Å; M655-W664 VanDerWaalsContact SD-CD1 3.55Å; M655-A686 HydrophobicContact CE-CB 3.36Å; M655-H690 WeakPolarHBondContact O-CB 3.43Å; M655-A693 WeakPolarHBondContact O-CB 3.49Å; M655-I700 HydrophobicContact CE-CG2 4.31Å
656E97.6Very high98.2Very high6 Ų616 Ų163%0.0288%0.076CC..  trans-108.9-13.4-179.7-59.3-172.7-157.800113.5R489 R492 E660 H690 K724R489-E656 VanDerWaalsContact CD-CD 3.48Å; R489-E656 VanDerWaalsContact CD-OE1 3.28Å; R489-E656 WeakPolarHBondContact CD-OE1 3.37Å; R489-E656 WeakPolarHBondContact CG-OE2 3.3Å; R489-E656 IonicContact CZ-OE1 3.78Å; R489-E656 VanDerWaalsContact CZ-OE1 3.24Å; R489-E656 IonicContact NE-OE1 3.15Å; R489-E656 PolarHBondContact NE-OE1 2.97Å; R489-E656 IonicContact NE-OE2 3.95Å; R489-E656 IonicContact NH1-OE1 3.93Å; R489-E656 PolarHBondContact NH1-OE1 3.33Å; R492-E656 PolarHBondContact NH1-O 2.68Å; E656-E660 PolarHBondContact N-OE2 2.91Å; E656-H690 HydrophobicContact CG-CB 4.18Å; E656-H690 IonicContact OE1-CD2 3.22Å; E656-H690 IonicContact OE1-NE2 2.89Å; E656-H690 PolarHBondContact OE1-NE2 3.3Å; E656-H690 IonicContact OE2-CE1 3.78Å; E656-H690 IonicContact OE2-NE2 2.65Å; E656-K724 IonicContact OE1-NZ 2.72Å
657S97.8Very high98.3Very high3 Ų315 Ų152%0.0217%0.069CC..SBendtrans-153.5161.3-17669.80000114L659 E660 A661 E696S657-L659 PolarHBondContact O-N 3.45Å; S657-L659 PolarHBondContact OG-N 3.15Å; S657-E660 PolarHBondContact O-N 3.49Å; S657-A661 PolarHBondContact O-N 3.46Å; S657-E696 VanDerWaalsContact CA-OE2 3.25Å; S657-E696 WeakPolarHBondContact CA-OE2 3.01Å; S657-E696 WeakPolarHBondContact CB-OE2 3.44Å
658H97.8Very high98.4Very high21 Ų2115 Ų1510%0.0977%0.069CC..Hα-helixtrans-64.4-17.8172.271.8-80.4000114.1A661 K662 E696 E699 I700 S703H658-A661 PolarHBondContact O-N 2.93Å; H658-K662 PolarHBondContact O-N 2.68Å; H658-E696 IonicContact CE1-OE2 3.03Å; H658-E696 IonicContact CG-OE2 3.95Å; H658-E696 PolarHBondContact N-OE2 3.16Å; H658-E696 IonicContact ND1-OE2 3.91Å; H658-E696 PolarHBondContact ND1-OE2 3.45Å; H658-E699 HydrophobicContact CB-CB 3.4Å; H658-E699 VanDerWaalsContact CB-CB 3.4Å; H658-I700 HydrophobicContact CB-CG1 4.13Å; H658-S703 WeakPolarHBondContact O-CB 3.27Å; H658-S703 PolarHBondContact O-OG 2.93Å
659L98.3Very high98.4Very high38 Ų3817 Ų1720%0.1998%0.08CC..Hα-helixtrans-76.2-30.2176.5-62.3178.4000112L485 S657 K662 L663L485-L659 HydrophobicContact CD2-CB 3.69Å; L485-L659 HydrophobicContact CD2-CD1 4.42Å; S657-L659 PolarHBondContact O-N 3.45Å; S657-L659 PolarHBondContact OG-N 3.15Å; L659-K662 WeakPolarHBondContact O-CB 3.39Å; L659-K662 PolarHBondContact O-N 3.32Å; L659-L663 PolarHBondContact O-N 2.92Å
660E98.7Very high98.4Very high3 Ų318 Ų181%0.0148%0.084CC..Hα-helixtrans-71.1-36.2171.2-64.7171.1-15700111.1L485 R489 M655 E656 S657 K662 L663 W664L485-E660 HydrophobicContact CB-CG 4.27Å; L485-E660 HydrophobicContact CD1-CB 4.48Å; L485-E660 HydrophobicContact CD1-CG 3.94Å; R489-E660 IonicContact CZ-OE1 3.79Å; R489-E660 IonicContact CZ-OE2 2.72Å; R489-E660 IonicContact NE-OE1 3.69Å; R489-E660 PolarHBondContact NE-OE1 2.97Å; R489-E660 IonicContact NE-OE2 2.76Å; R489-E660 VanDerWaalsContact NH2-CD 3.3Å; R489-E660 IonicContact NH2-OE1 2.74Å; R489-E660 PolarHBondContact NH2-OE1 3.41Å; R489-E660 IonicContact NH2-OE2 3.97Å; R489-E660 PolarHBondContact NH2-OE2 2.97Å; M655-E660 WeakPolarHBondContact CA-OE2 3.39Å; M655-E660 HydrophobicContact CB-CB 4.46Å; M655-E660 HydrophobicContact CG-CB 4.17Å; M655-E660 HydrophobicContact SD-CB 4.24Å; E656-E660 PolarHBondContact N-OE2 2.91Å; S657-E660 PolarHBondContact O-N 3.49Å; E660-K662 VanDerWaalsContact C-N 3.29Å; E660-K662 PolarHBondContact O-N 2.74Å; E660-L663 PolarHBondContact O-N 3.23Å; E660-W664 PolarHBondContact O-N 2.85Å
661A98.6Very high98.3Very high0 Ų018 Ų180%08%0.084CC..Hα-helixtrans-63.2-37.2169.200000111.7M655 S657 H658 W664 K665 I700M655-A661 HydrophobicContact SD-CB 4.14Å; S657-A661 PolarHBondContact O-N 3.46Å; H658-A661 PolarHBondContact O-N 2.93Å; A661-W664 PolarHBondContact O-N 3.21Å; A661-K665 PolarHBondContact O-N 2.84Å; A661-I700 HydrophobicContact CB-CB 4.31Å; A661-I700 HydrophobicContact CB-CG1 4.32Å; A661-I700 HydrophobicContact CB-CG2 3.99Å
662K98.5Very high98.3Very high106 Ų10619.6 Ų19.646%0.4619%0.091SC..Hα-helixtrans-65.2-40.5173.9-174-179.8179.4-179.40112.1H658 L659 E660 K665 Q666H658-K662 PolarHBondContact O-N 2.68Å; L659-K662 WeakPolarHBondContact O-CB 3.39Å; L659-K662 PolarHBondContact O-N 3.32Å; E660-K662 VanDerWaalsContact C-N 3.29Å; E660-K662 PolarHBondContact O-N 2.74Å; K662-K665 WeakPolarHBondContact O-CB 3.48Å; K662-K665 PolarHBondContact O-N 3.32Å; K662-Q666 WeakPolarHBondContact O-CG 3.19Å; K662-Q666 PolarHBondContact O-N 2.97Å; K662-Q666 VanDerWaalsContact O-N 3.07Å
663L98.8Very high98.3Very high1 Ų125 Ų251%0.00512%0.12CC..Hα-helixtrans-59.8-48.3173.3175.959.8000110.7F478 E481 R482 L485 W609 L659 E660 K665 Q666 V667F478-L663 HydrophobicContact CB-CD1 4.15Å; F478-L663 HydrophobicContact CD1-CD1 4.05Å; F478-L663 HydrophobicContact CG-CD1 4.46Å; E481-L663 HydrophobicContact CB-CD1 4.07Å; E481-L663 HydrophobicContact CG-CD1 4.21Å; R482-L663 HydrophobicContact CB-CD2 3.88Å; L485-L663 HydrophobicContact CD1-CB 3.84Å; L485-L663 HydrophobicContact CD1-CD2 3.84Å; L485-L663 HydrophobicContact CD1-CG 4.46Å; W609-L663 HydrophobicContact CD2-CD2 4.45Å; W609-L663 HydrophobicContact CH2-CD2 3.92Å; W609-L663 HydrophobicContact CH2-CG 4.15Å; W609-L663 HydrophobicContact CZ2-CB 4.48Å; W609-L663 HydrophobicContact CZ2-CD2 3.71Å; W609-L663 HydrophobicContact CZ2-CG 3.86Å; W609-L663 HydrophobicContact CZ3-CD2 4.34Å; L659-L663 PolarHBondContact O-N 2.92Å; E660-L663 PolarHBondContact O-N 3.23Å; L663-K665 VanDerWaalsContact C-N 3.31Å; L663-K665 PolarHBondContact O-N 3.33Å; L663-Q666 WeakPolarHBondContact O-CB 3.39Å; L663-Q666 PolarHBondContact O-N 3.25Å; L663-V667 WeakPolarHBondContact O-CG2 3.48Å; L663-V667 PolarHBondContact O-N 2.82Å
664W98.7Very high98.2Very high2 Ų229.9 Ų29.91%0.00814%0.138CC..Hα-helixtrans-55.7-46174-82.8118.3000111.9P606 W609 F630 L652 M655 E660 A661 Q666 V667 F668 M704P606-W664 HydrophobicContact CG-CH2 4.05Å; P606-W664 HydrophobicContact CG-CZ2 4.37Å; W609-W664 HydrophobicContact CD2-CZ2 4.44Å; W609-W664 AromaticContact CE2-CD1 3.82Å; W609-W664 AromaticContact CE2-CE2 3.53Å; W609-W664 AromaticContact CE2-CZ2 3.91Å; W609-W664 AromaticContact CE2-NE1 3.32Å; W609-W664 VanDerWaalsContact CE2-NE1 3.32Å; W609-W664 HydrophobicContact CH2-CD2 4Å; W609-W664 AromaticContact CH2-CE2 3.85Å; W609-W664 HydrophobicContact CH2-CE3 4.13Å; W609-W664 AromaticContact CH2-CH2 3.98Å; W609-W664 HydrophobicContact CH2-CH2 3.98Å; W609-W664 AromaticContact CH2-CZ2 3.85Å; W609-W664 HydrophobicContact CH2-CZ2 3.85Å; W609-W664 HydrophobicContact CH2-CZ3 4.11Å; W609-W664 AromaticContact CZ2-CD1 3.67Å; W609-W664 AromaticContact CZ2-CD2 3.4Å; W609-W664 HydrophobicContact CZ2-CD2 3.4Å; W609-W664 AromaticContact CZ2-CE2 3.18Å; W609-W664 AromaticContact CZ2-CE3 3.98Å; W609-W664 HydrophobicContact CZ2-CE3 3.98Å; W609-W664 AromaticContact CZ2-CG 3.71Å; W609-W664 HydrophobicContact CZ2-CG 3.71Å; W609-W664 HydrophobicContact CZ2-CH2 4.17Å; W609-W664 AromaticContact CZ2-CZ2 3.61Å; W609-W664 HydrophobicContact CZ2-CZ2 3.61Å; W609-W664 HydrophobicContact CZ2-CZ3 4.33Å; W609-W664 AromaticContact CZ2-NE1 3.38Å; W609-W664 HydrophobicContact CZ3-CZ2 4.38Å; W609-W664 AromaticContact NE1-CD1 3.49Å; W609-W664 AromaticContact NE1-CE2 3.84Å; W609-W664 AromaticContact NE1-NE1 3.12Å; W609-W664 VanDerWaalsContact NE1-NE1 3.12Å; F630-W664 HydrophobicContact CB-CH2 4.3Å; F630-W664 HydrophobicContact CB-CZ3 4.11Å; F630-W664 HydrophobicContact CD2-CZ3 4.12Å; F630-W664 HydrophobicContact CG-CZ3 4.01Å; L652-W664 HydrophobicContact CD1-CB 4.19Å; L652-W664 HydrophobicContact CD1-CD2 4.21Å; L652-W664 HydrophobicContact CD1-CG 3.84Å; L652-W664 HydrophobicContact CD2-CD2 3.95Å; L652-W664 HydrophobicContact CD2-CE3 4.27Å; L652-W664 HydrophobicContact CD2-CG 4.45Å; L652-W664 HydrophobicContact CD2-CH2 4.34Å; L652-W664 HydrophobicContact CD2-CZ2 4.02Å; L652-W664 HydrophobicContact CD2-CZ3 4.46Å; M655-W664 VanDerWaalsContact SD-CD1 3.55Å; E660-W664 PolarHBondContact O-N 2.85Å; A661-W664 PolarHBondContact O-N 3.21Å; W664-Q666 VanDerWaalsContact C-N 3.25Å; W664-Q666 PolarHBondContact O-N 3.35Å; W664-V667 HydrophobicContact CE3-CB 4.37Å; W664-V667 HydrophobicContact CE3-CG1 4.45Å; W664-V667 HydrophobicContact CZ3-CG1 4.48Å; W664-V667 CarbonylContact O-C 3.15Å; W664-V667 WeakPolarHBondContact O-CA 3.49Å; W664-V667 WeakPolarHBondContact O-CB 3.49Å; W664-V667 PolarHBondContact O-N 3.1Å; W664-F668 HydrophobicContact CB-CD1 4.23Å; W664-F668 HydrophobicContact CB-CE1 4.23Å; W664-F668 HydrophobicContact CE3-CE1 4.07Å; W664-F668 WeakPolarHBondContact O-CD1 3.44Å; W664-F668 PolarHBondContact O-N 3.36Å; W664-M704 HydrophobicContact CB-CE 3.33Å; W664-M704 HydrophobicContact CG-CE 4.31Å
665K98Very high98.2Very high42 Ų4231.6 Ų31.618%0.18315%0.148CC..Hα-helixtrans-52.6-44.9175.2170.9169172.837.90111.9A661 K662 L663 V667 F668 D669 S703 M704 E706 Y707A661-K665 PolarHBondContact O-N 2.84Å; K662-K665 WeakPolarHBondContact O-CB 3.48Å; K662-K665 PolarHBondContact O-N 3.32Å; L663-K665 VanDerWaalsContact C-N 3.31Å; L663-K665 PolarHBondContact O-N 3.33Å; K665-V667 VanDerWaalsContact C-N 3.32Å; K665-V667 PolarHBondContact O-N 3.15Å; K665-F668 PolarHBondContact O-N 3.07Å; K665-D669 WeakPolarHBondContact CG-OD2 3.42Å; K665-D669 IonicContact NZ-OD1 3.43Å; K665-D669 PolarHBondContact NZ-OD1 3.34Å; K665-D669 IonicContact NZ-OD2 3.99Å; K665-D669 PolarHBondContact NZ-OD2 3.11Å; K665-D669 WeakPolarHBondContact O-CB 3.37Å; K665-D669 PolarHBondContact O-N 2.68Å; K665-S703 WeakPolarHBondContact CD-O 3.37Å; K665-M704 HydrophobicContact CB-CB 3.96Å; K665-E706 WeakPolarHBondContact CE-OE2 3.15Å; K665-E706 IonicContact NZ-OE1 2.71Å; K665-E706 IonicContact NZ-OE2 3.28Å; K665-Y707 HydrophobicContact CG-CD2 4.41Å; K665-Y707 HydrophobicContact CG-CE2 4.26Å
666Q98.5Very high98.1Very high79 Ų7934.8 Ų34.837%0.36918%0.181SC..Hα-helixtrans-64-38.7178.9-65.2171-32.200112.1F478 K662 L663 W664 F670F478-Q666 HydrophobicContact CD1-CB 4.36Å; F478-Q666 HydrophobicContact CE1-CB 3.71Å; F478-Q666 HydrophobicContact CZ-CB 4.45Å; F478-Q666 VanDerWaalsContact CZ-O 3.3Å; F478-Q666 WeakPolarHBondContact CZ-O 3.44Å; K662-Q666 WeakPolarHBondContact O-CG 3.19Å; K662-Q666 PolarHBondContact O-N 2.97Å; K662-Q666 VanDerWaalsContact O-N 3.07Å; L663-Q666 WeakPolarHBondContact O-CB 3.39Å; L663-Q666 PolarHBondContact O-N 3.25Å; W664-Q666 VanDerWaalsContact C-N 3.25Å; W664-Q666 PolarHBondContact O-N 3.35Å; Q666-F670 WeakPolarHBondContact O-CB 3.12Å; Q666-F670 PolarHBondContact O-N 3.34Å
667V98.7Very high98.1Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-61.4-50.4172.5178.80000110.7L474 F478 W609 L627 F630 L663 W664 K665 D669 F670 T671L474-V667 HydrophobicContact CD2-CG1 4.02Å; F478-V667 HydrophobicContact CB-CG2 4.23Å; F478-V667 HydrophobicContact CD1-CG2 4.1Å; F478-V667 HydrophobicContact CD2-CB 4.43Å; F478-V667 HydrophobicContact CD2-CG2 3.7Å; F478-V667 HydrophobicContact CE1-CG2 4.42Å; F478-V667 HydrophobicContact CE2-CB 4.34Å; F478-V667 HydrophobicContact CE2-CG2 4.04Å; F478-V667 HydrophobicContact CG-CG2 3.73Å; F478-V667 HydrophobicContact CZ-CG2 4.38Å; W609-V667 HydrophobicContact CH2-CG2 4.46Å; L627-V667 HydrophobicContact CD2-CG1 4.14Å; L627-V667 HydrophobicContact CD2-CG2 3.88Å; F630-V667 HydrophobicContact CD1-CG1 3.81Å; F630-V667 HydrophobicContact CE1-CG1 3.43Å; F630-V667 VanDerWaalsContact CE1-CG1 3.43Å; F630-V667 HydrophobicContact CZ-CG1 4.01Å; L663-V667 WeakPolarHBondContact O-CG2 3.48Å; L663-V667 PolarHBondContact O-N 2.82Å; W664-V667 HydrophobicContact CE3-CB 4.37Å; W664-V667 HydrophobicContact CE3-CG1 4.45Å; W664-V667 HydrophobicContact CZ3-CG1 4.48Å; W664-V667 CarbonylContact O-C 3.15Å; W664-V667 WeakPolarHBondContact O-CA 3.49Å; W664-V667 WeakPolarHBondContact O-CB 3.49Å; W664-V667 PolarHBondContact O-N 3.1Å; K665-V667 VanDerWaalsContact C-N 3.32Å; K665-V667 PolarHBondContact O-N 3.15Å; V667-D669 PolarHBondContact O-N 3.26Å; V667-F670 PolarHBondContact O-N 3.04Å; V667-T671 WeakPolarHBondContact O-CB 3.45Å; V667-T671 PolarHBondContact O-N 2.77Å; V667-T671 PolarHBondContact O-OG1 3.04Å
668F98.4Very high97.9Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-59.8-43.8178.2-81.7106.9000112.9F630 Y650 L652 W664 K665 T671 K672 L682 M704 Y707F630-F668 HydrophobicContact CD2-CZ 4.45Å; F630-F668 HydrophobicContact CE2-CD2 4.02Å; F630-F668 AromaticContact CE2-CE2 3.58Å; F630-F668 HydrophobicContact CE2-CE2 3.58Å; F630-F668 AromaticContact CE2-CZ 3.87Å; F630-F668 HydrophobicContact CE2-CZ 3.87Å; F630-F668 HydrophobicContact CZ-CD2 4.24Å; F630-F668 HydrophobicContact CZ-CE2 4.26Å; Y650-F668 AromaticContact CD2-CE2 3.6Å; Y650-F668 HydrophobicContact CD2-CE2 3.6Å; Y650-F668 AromaticContact CD2-CZ 3.71Å; Y650-F668 HydrophobicContact CD2-CZ 3.71Å; Y650-F668 AromaticContact CE2-CE2 3.86Å; Y650-F668 HydrophobicContact CE2-CE2 3.86Å; Y650-F668 HydrophobicContact CE2-CZ 4.33Å; Y650-F668 HydrophobicContact CG-CE2 4.48Å; Y650-F668 HydrophobicContact CG-CZ 4.17Å; L652-F668 HydrophobicContact CD1-CE1 4.2Å; W664-F668 HydrophobicContact CB-CD1 4.23Å; W664-F668 HydrophobicContact CB-CE1 4.23Å; W664-F668 HydrophobicContact CE3-CE1 4.07Å; W664-F668 WeakPolarHBondContact O-CD1 3.44Å; W664-F668 PolarHBondContact O-N 3.36Å; K665-F668 PolarHBondContact O-N 3.07Å; F668-T671 PolarHBondContact O-N 2.84Å; F668-K672 WeakPolarHBondContact O-CB 3.4Å; F668-K672 PolarHBondContact O-N 2.84Å; F668-L682 HydrophobicContact CD2-CB 3.47Å; F668-L682 VanDerWaalsContact CD2-CB 3.47Å; F668-L682 HydrophobicContact CD2-CD1 3.7Å; F668-L682 HydrophobicContact CD2-CG 4.15Å; F668-L682 HydrophobicContact CE2-CB 3.77Å; F668-L682 HydrophobicContact CE2-CD1 4.45Å; F668-M704 HydrophobicContact CD1-CE 4.15Å; F668-M704 HydrophobicContact CE1-CE 4.14Å; F668-Y707 HydrophobicContact CB-CD1 4.08Å; F668-Y707 HydrophobicContact CB-CD2 3.78Å; F668-Y707 HydrophobicContact CB-CE1 3.92Å; F668-Y707 HydrophobicContact CB-CE2 3.6Å; F668-Y707 HydrophobicContact CB-CG 4.01Å; F668-Y707 HydrophobicContact CD2-CD1 4.26Å; F668-Y707 HydrophobicContact CD2-CG 4.49Å; F668-Y707 HydrophobicContact CG-CD1 4.28Å; F668-Y707 HydrophobicContact CG-CD2 4.3Å; F668-Y707 HydrophobicContact CG-CG 4.15Å
669D98.2Very high97Very high43 Ų4344.9 Ų44.923%0.2323%0.232CC..Hα-helixtrans-60-50.2176.2-80.3-41.1000110.6K665 V667 T671 K672 D673 Y707K665-D669 WeakPolarHBondContact CG-OD2 3.42Å; K665-D669 IonicContact NZ-OD1 3.43Å; K665-D669 PolarHBondContact NZ-OD1 3.34Å; K665-D669 IonicContact NZ-OD2 3.99Å; K665-D669 PolarHBondContact NZ-OD2 3.11Å; K665-D669 WeakPolarHBondContact O-CB 3.37Å; K665-D669 PolarHBondContact O-N 2.68Å; V667-D669 PolarHBondContact O-N 3.26Å; D669-T671 PolarHBondContact O-N 3.45Å; D669-K672 PolarHBondContact O-N 3.2Å; D669-K672 IonicContact OD1-NZ 2.93Å; D669-K672 PolarHBondContact OD1-NZ 3.26Å; D669-D673 VanDerWaalsContact O-CG 3.27Å; D669-D673 PolarHBondContact O-N 3.15Å; D669-Y707 WeakPolarHBondContact CA-OH 3.46Å; D669-Y707 PolarHBondContact N-OH 3.29Å; D669-Y707 PolarHBondContact OD1-OH 3.42Å
670F98.6Very high96.6Very high26 Ų2644.8 Ų44.811%0.11424%0.24CC..Hα-helixtrans-61.1-47178.7170-103000112.4F470 E473 L474 K477 F478 Q666 V667 D673 R674F470-F670 HydrophobicContact CD2-CE1 4.3Å; F470-F670 HydrophobicContact CE2-CD1 4.38Å; F470-F670 AromaticContact CE2-CE1 3.76Å; F470-F670 HydrophobicContact CE2-CE1 3.76Å; E473-F670 HydrophobicContact CB-CE1 4.22Å; E473-F670 HydrophobicContact CB-CZ 3.72Å; E473-F670 WeakPolarHBondContact OE2-CZ 3.35Å; L474-F670 HydrophobicContact CD2-CD1 3.63Å; L474-F670 HydrophobicContact CD2-CE1 3.79Å; L474-F670 HydrophobicContact CG-CE1 4.19Å; K477-F670 HydrophobicContact CD-CD2 3.92Å; K477-F670 HydrophobicContact CD-CE2 4.26Å; K477-F670 HydrophobicContact CD-CG 4.18Å; F478-F670 HydrophobicContact CE2-CB 3.89Å; F478-F670 AromaticContact CE2-CD1 3.75Å; F478-F670 HydrophobicContact CE2-CD1 3.75Å; F478-F670 AromaticContact CE2-CG 3.96Å; F478-F670 HydrophobicContact CE2-CG 3.96Å; F478-F670 HydrophobicContact CZ-CB 3.58Å; F478-F670 HydrophobicContact CZ-CD1 4.3Å; F478-F670 HydrophobicContact CZ-CG 4.03Å; Q666-F670 WeakPolarHBondContact O-CB 3.12Å; Q666-F670 PolarHBondContact O-N 3.34Å; V667-F670 PolarHBondContact O-N 3.04Å; F670-D673 PolarHBondContact O-N 2.87Å; F670-R674 HydrophobicContact CE1-CB 4.36Å; F670-R674 HydrophobicContact CE1-CG 4.38Å; F670-R674 HydrophobicContact CE2-CB 4.22Å; F670-R674 HydrophobicContact CE2-CG 4.43Å; F670-R674 HydrophobicContact CZ-CB 4.12Å; F670-R674 HydrophobicContact CZ-CG 3.99Å; F670-R674 WeakPolarHBondContact O-CB 3.44Å; F670-R674 PolarHBondContact O-N 2.63Å
671T98.5Very high96.5Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-64.5-43.3-179.1-61.30000112.2F470 F630 A634 V667 F668 D669 D673 R674 L675 L682F470-T671 HydrophobicContact CE1-CG2 4.49Å; F470-T671 HydrophobicContact CZ-CG2 3.7Å; F630-T671 HydrophobicContact CE1-CG2 4.08Å; F630-T671 VanDerWaalsContact CE1-OG1 3.28Å; F630-T671 WeakPolarHBondContact CE1-OG1 3.48Å; F630-T671 HydrophobicContact CZ-CG2 3.96Å; A634-T671 HydrophobicContact CB-CG2 3.83Å; V667-T671 WeakPolarHBondContact O-CB 3.45Å; V667-T671 PolarHBondContact O-N 2.77Å; V667-T671 PolarHBondContact O-OG1 3.04Å; F668-T671 PolarHBondContact O-N 2.84Å; D669-T671 PolarHBondContact O-N 3.45Å; T671-D673 VanDerWaalsContact C-N 3.34Å; T671-D673 PolarHBondContact O-N 2.87Å; T671-R674 PolarHBondContact O-N 3.23Å; T671-L675 HydrophobicContact CG2-CD1 3.72Å; T671-L675 HydrophobicContact CG2-CG 4.27Å; T671-L675 WeakPolarHBondContact O-CB 3.46Å; T671-L675 WeakPolarHBondContact O-CG 3.42Å; T671-L675 PolarHBondContact O-N 2.57Å; T671-L682 HydrophobicContact CG2-CD1 4Å
672K97.7Very high96.5Very high33 Ų3344.9 Ų44.914%0.14324%0.241CC..Hα-helixtrans-56.4-49.7175.3176.9-15871-155.40110.7F668 D669 G676 L677 V679 L682 Y707F668-K672 WeakPolarHBondContact O-CB 3.4Å; F668-K672 PolarHBondContact O-N 2.84Å; D669-K672 PolarHBondContact O-N 3.2Å; D669-K672 IonicContact OD1-NZ 2.93Å; D669-K672 PolarHBondContact OD1-NZ 3.26Å; K672-G676 PolarHBondContact O-N 3.23Å; K672-L677 HydrophobicContact CG-CB 4.28Å; K672-L677 WeakPolarHBondContact CG-O 3.44Å; K672-L677 PolarHBondContact O-N 2.97Å; K672-V679 HydrophobicContact CD-CG2 4.34Å; K672-L682 HydrophobicContact CB-CD1 4.08Å; K672-Y707 PolarHBondContact NZ-OH 2.69Å
673D97.8Very high96.5Very high114 Ų11440.2 Ų40.261%0.6122%0.221SC*.Hα-helixtrans-68.5-44.2-178.5-65.2-15000111.3D669 F670 T671 L675 G676D669-D673 VanDerWaalsContact O-CG 3.27Å; D669-D673 PolarHBondContact O-N 3.15Å; F670-D673 PolarHBondContact O-N 2.87Å; T671-D673 VanDerWaalsContact C-N 3.34Å; T671-D673 PolarHBondContact O-N 2.87Å; D673-L675 VanDerWaalsContact C-N 3.34Å; D673-L675 PolarHBondContact O-N 3.01Å; D673-G676 PolarHBondContact O-N 2.61Å
674R97.5Very high96.5Very high102 Ų10240.2 Ų40.239%0.38522%0.22SC..Hα-helixtrans-66.3-32-177-179.758-178.979.64.1113.6F470 E473 F670 T671F470-R674 HydrophobicContact CD2-CG 3.8Å; F470-R674 HydrophobicContact CE2-CB 4.23Å; F470-R674 HydrophobicContact CE2-CG 3.81Å; E473-R674 IonicContact OE1-CZ 3.93Å; E473-R674 IonicContact OE1-NE 3.46Å; E473-R674 PolarHBondContact OE1-NE 3.32Å; E473-R674 IonicContact OE1-NH2 3.68Å; E473-R674 PolarHBondContact OE1-NH2 3.49Å; E473-R674 WeakPolarHBondContact OE2-CD 3.2Å; E473-R674 IonicContact OE2-NE 2.74Å; E473-R674 PolarHBondContact OE2-NE 2.86Å; F670-R674 HydrophobicContact CE1-CB 4.36Å; F670-R674 HydrophobicContact CE1-CG 4.38Å; F670-R674 HydrophobicContact CE2-CB 4.22Å; F670-R674 HydrophobicContact CE2-CG 4.43Å; F670-R674 HydrophobicContact CZ-CB 4.12Å; F670-R674 HydrophobicContact CZ-CG 3.99Å; F670-R674 WeakPolarHBondContact O-CB 3.44Å; F670-R674 PolarHBondContact O-N 2.63Å; T671-R674 PolarHBondContact O-N 3.23Å
675L97.3Very high96.5Very high43 Ų4340.1 Ų40.123%0.22522%0.22CC..Hα-helixtrans-101.20.7179.8-58.2-176.2000113.1F470 A634 F635 T671 D673 L677F470-L675 HydrophobicContact CD2-CD2 4.44Å; F470-L675 HydrophobicContact CE1-CD1 4.49Å; F470-L675 HydrophobicContact CE2-CD2 4.41Å; F470-L675 HydrophobicContact CE2-CG 4.43Å; F470-L675 HydrophobicContact CZ-CD1 4.29Å; F470-L675 HydrophobicContact CZ-CG 4.44Å; A634-L675 HydrophobicContact CB-CD1 4.37Å; F635-L675 HydrophobicContact CD2-CD2 3.88Å; F635-L675 HydrophobicContact CE2-CD2 4.31Å; T671-L675 HydrophobicContact CG2-CD1 3.72Å; T671-L675 HydrophobicContact CG2-CG 4.27Å; T671-L675 WeakPolarHBondContact O-CB 3.46Å; T671-L675 WeakPolarHBondContact O-CG 3.42Å; T671-L675 PolarHBondContact O-N 2.57Å; D673-L675 VanDerWaalsContact C-N 3.34Å; D673-L675 PolarHBondContact O-N 3.01Å; L675-L677 HydrophobicContact CB-CD1 4.05Å; L675-L677 HydrophobicContact CB-CD2 4.21Å; L675-L677 HydrophobicContact CB-CG 3.8Å; L675-L677 HydrophobicContact CD1-CD1 4.29Å; L675-L677 PolarHBondContact O-N 2.75Å
676G96.6Very high96.5Very high69 Ų6938.2 Ų38.271%0.71121%0.212SC*.THydrogen-bonded Turntrans65.135.2178.700000114.1K672 D673K672-G676 PolarHBondContact O-N 3.23Å; D673-G676 PolarHBondContact O-N 2.61Å
677L97Very high96.5Very high17 Ų1734.5 Ų34.59%0.08920%0.195CC..  trans-86.6153.1-175.2-54.5173.1000112.1A638 A639 K672 L675 T681 L682A638-L677 HydrophobicContact CB-CD1 3.56Å; A638-L677 HydrophobicContact CB-CD2 3.83Å; A638-L677 HydrophobicContact CB-CG 4.37Å; A639-L677 HydrophobicContact CB-CD2 4.37Å; K672-L677 HydrophobicContact CG-CB 4.28Å; K672-L677 WeakPolarHBondContact CG-O 3.44Å; K672-L677 PolarHBondContact O-N 2.97Å; L675-L677 HydrophobicContact CB-CD1 4.05Å; L675-L677 HydrophobicContact CB-CD2 4.21Å; L675-L677 HydrophobicContact CB-CG 3.8Å; L675-L677 HydrophobicContact CD1-CD1 4.29Å; L675-L677 PolarHBondContact O-N 2.75Å; L677-T681 HydrophobicContact CB-CG2 4.2Å; L677-T681 HydrophobicContact CD1-CG2 4.29Å; L677-T681 HydrophobicContact CD2-CG2 4.19Å; L677-T681 HydrophobicContact CG-CG2 4.46Å; L677-L682 HydrophobicContact CD1-CD1 4.18Å; L677-L682 HydrophobicContact CD1-CD2 3.77Å; L677-L682 HydrophobicContact CD1-CG 4Å
678K92.9Very high96.5Very high136 Ų13634.6 Ų34.659%0.59120%0.196SC*.  trans-68154.4169.7-65.2177.7-174.4114.70111.3E642 G680 T681E642-K678 HydrophobicContact CG-CD 4.43Å; E642-K678 VanDerWaalsContact OE1-CD 3.3Å; E642-K678 WeakPolarHBondContact OE1-CD 3.41Å; E642-K678 VanDerWaalsContact OE1-CE 3.26Å; E642-K678 WeakPolarHBondContact OE1-CE 3.47Å; E642-K678 WeakPolarHBondContact OE1-CG 3.49Å; E642-K678 IonicContact OE1-NZ 3.8Å; E642-K678 PolarHBondContact OE1-NZ 3.4Å; E642-K678 PolarHBondContact OE2-N 3.21Å; K678-G680 PolarHBondContact O-N 2.94Å; K678-G680 VanDerWaalsContact O-N 3.15Å; K678-T681 PolarHBondContact N-OG1 3.14Å; K678-T681 VanDerWaalsContact O-CB 3.28Å; K678-T681 WeakPolarHBondContact O-CB 3.19Å; K678-T681 PolarHBondContact O-N 2.72Å; K678-T681 PolarHBondContact O-OG1 2.92Å
679V80.7Confident96.4Very high89 Ų8935 Ų3554%0.53920%0.198SC..THydrogen-bonded Turntrans-55.4-34.5178.8177.90000112.8K672 T681K672-V679 HydrophobicContact CD-CG2 4.34Å; V679-T681 VanDerWaalsContact C-N 3.35Å
680G88.3Confident96.4Very high36 Ų3633.3 Ų33.337%0.37119%0.188SC..THydrogen-bonded Turntrans-81.3-7.5179.400000115.3K678 R683K678-G680 PolarHBondContact O-N 2.94Å; K678-G680 VanDerWaalsContact O-N 3.15Å; G680-R683 WeakPolarHBondContact O-CG 3.19Å
681T97.2Very high96.2Very high4 Ų432 Ų323%0.02518%0.183CC..THydrogen-bonded Turntrans-75-34.3-170.3-57.30000112.7A638 E642 G647 A648 L677 K678 V679A638-T681 HydrophobicContact CB-CG2 4.23Å; E642-T681 HydrophobicContact CB-CG2 3.93Å; E642-T681 HydrophobicContact CG-CG2 4.34Å; E642-T681 PolarHBondContact OE2-OG1 3.3Å; G647-T681 CarbonylContact C-O 3.37Å; G647-T681 VanDerWaalsContact CA-O 3.23Å; G647-T681 WeakPolarHBondContact CA-O 3.42Å; A648-T681 PolarHBondContact N-O 3.01Å; L677-T681 HydrophobicContact CB-CG2 4.2Å; L677-T681 HydrophobicContact CD1-CG2 4.29Å; L677-T681 HydrophobicContact CD2-CG2 4.19Å; L677-T681 HydrophobicContact CG-CG2 4.46Å; K678-T681 PolarHBondContact N-OG1 3.14Å; K678-T681 VanDerWaalsContact O-CB 3.28Å; K678-T681 WeakPolarHBondContact O-CB 3.19Å; K678-T681 PolarHBondContact O-N 2.72Å; K678-T681 PolarHBondContact O-OG1 2.92Å; V679-T681 VanDerWaalsContact C-N 3.35Å
682L98.3Very high96.1Very high0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-100.6127175-53.7-179.1000108.8A638 A648 Y650 F668 T671 K672 L677 Y707A638-L682 HydrophobicContact CB-CD2 4.29Å; A648-L682 HydrophobicContact CB-CD2 3.85Å; A648-L682 WeakPolarHBondContact O-CA 3.37Å; Y650-L682 HydrophobicContact CE2-CD2 4.3Å; F668-L682 HydrophobicContact CD2-CB 3.47Å; F668-L682 VanDerWaalsContact CD2-CB 3.47Å; F668-L682 HydrophobicContact CD2-CD1 3.7Å; F668-L682 HydrophobicContact CD2-CG 4.15Å; F668-L682 HydrophobicContact CE2-CB 3.77Å; F668-L682 HydrophobicContact CE2-CD1 4.45Å; T671-L682 HydrophobicContact CG2-CD1 4Å; K672-L682 HydrophobicContact CB-CD1 4.08Å; L677-L682 HydrophobicContact CD1-CD1 4.18Å; L677-L682 HydrophobicContact CD1-CD2 3.77Å; L677-L682 HydrophobicContact CD1-CG 4Å; L682-Y707 HydrophobicContact CB-CD1 4.29Å; L682-Y707 HydrophobicContact CB-CE1 4.32Å; L682-Y707 WeakPolarHBondContact O-CD1 3.25Å
683R98.3Very high96.1Very high9 Ų930.7 Ų30.73%0.03418%0.177CC..EExtended strand (participates in β ladder)trans-142.1156.8176.8-55.4-62.2-87.9-152.3-4.8111.8A519 K520 P522 A648 Y649 Y650 G680 E706 Y707 V709A519-R683 VanDerWaalsContact C-NH2 3.31Å; A519-R683 PolarHBondContact O-NH2 2.89Å; K520-R683 VanDerWaalsContact C-NH2 3.28Å; K520-R683 PolarHBondContact O-NH2 3.01Å; P522-R683 HydrophobicContact CG-CG 3.64Å; A648-R683 PolarHBondContact O-N 2.89Å; Y649-R683 CarbonylContact C-O 3.57Å; Y649-R683 VanDerWaalsContact CA-O 3.3Å; Y649-R683 WeakPolarHBondContact CA-O 3.31Å; Y649-R683 HydrophobicContact CD1-CB 3.61Å; Y649-R683 HydrophobicContact CD1-CG 3.84Å; Y649-R683 HydrophobicContact CE1-CB 4.07Å; Y649-R683 HydrophobicContact CE1-CG 3.76Å; Y649-R683 HydrophobicContact CG-CB 4.47Å; Y650-R683 PolarHBondContact N-O 3.5Å; G680-R683 WeakPolarHBondContact O-CG 3.19Å; R683-E706 PolarHBondContact NH1-O 2.62Å; R683-Y707 CarbonylContact C-O 3.28Å; R683-Y707 VanDerWaalsContact CA-O 3.27Å; R683-Y707 WeakPolarHBondContact CA-O 3.2Å; R683-V709 HydrophobicContact CB-CG2 3.74Å; R683-V709 HydrophobicContact CG-CG2 4.18Å
684S98.4Very high96.1Very high0 Ų025.2 Ų25.20%015%0.148CC..EExtended strand (participates in β ladder)trans-137.4150.8-176.855.40000113.4Y650 M704 Y707 M708 V709Y650-S684 CarbonylContact O-C 3.52Å; Y650-S684 VanDerWaalsContact O-CA 3.23Å; Y650-S684 WeakPolarHBondContact O-CA 3.45Å; S684-M704 PolarHBondContact OG-SD 3.28Å; S684-Y707 PolarHBondContact N-O 2.78Å; S684-Y707 PolarHBondContact OG-O 3.37Å; S684-M708 CarbonylContact O-C 3.41Å; S684-V709 PolarHBondContact O-N 3.43Å
685T98.7Very high96.1Very high0 Ų020.6 Ų20.60%013%0.13CC..EExtended strand (participates in β ladder)trans-118.8131.9158.9-56.70000107.1R528 Y650 Y651 L652 G710R528-T685 PolarHBondContact NH1-OG1 3.33Å; R528-T685 PolarHBondContact NH2-OG1 2.85Å; Y650-T685 PolarHBondContact O-N 3.06Å; Y651-T685 CarbonylContact C-O 3.56Å; Y651-T685 VanDerWaalsContact CA-O 3.26Å; Y651-T685 WeakPolarHBondContact CA-O 3.35Å; Y651-T685 HydrophobicContact CD1-CG2 3.97Å; Y651-T685 WeakPolarHBondContact CD1-O 3.46Å; Y651-T685 VanDerWaalsContact CE1-CB 3.48Å; Y651-T685 HydrophobicContact CE1-CG2 3.23Å; L652-T685 PolarHBondContact N-O 3.49Å; T685-G710 VanDerWaalsContact CA-O 3.26Å; T685-G710 WeakPolarHBondContact CA-O 3.44Å; T685-G710 VanDerWaalsContact CG2-C 3.45Å; T685-G710 WeakPolarHBondContact CG2-O 3.4Å
686A98.5Very high96.1Very high2 Ų218.7 Ų18.72%0.01712%0.12CC..EExtended strand (participates in β ladder)trans-98.1135.4177.800000111.2M655 V688 I700 M708 G710 L711 N712M655-A686 HydrophobicContact CE-CB 3.36Å; A686-V688 PolarHBondContact O-N 3.25Å; A686-I700 HydrophobicContact CB-CG2 4.44Å; A686-M708 HydrophobicContact CB-CE 3.77Å; A686-M708 HydrophobicContact CB-SD 4.17Å; A686-G710 PolarHBondContact N-O 3.22Å; A686-G710 VanDerWaalsContact N-O 3.1Å; A686-L711 HydrophobicContact CB-CD2 3.72Å; A686-L711 CarbonylContact O-C 3.56Å; A686-L711 WeakPolarHBondContact O-CA 3.39Å; A686-N712 PolarHBondContact O-N 3.32Å
687L98.5Very high96.1Very high2 Ų215.4 Ų15.41%0.019%0.087CC..EExtended strand (participates in β ladder)trans-79.7118.6172-6387.6000108Y651 L652 P653 E689 N712 W805Y651-L687 HydrophobicContact CD1-CD1 3.39Å; Y651-L687 HydrophobicContact CD1-CG 3.94Å; Y651-L687 HydrophobicContact CE1-CD1 4.24Å; Y651-L687 HydrophobicContact CE1-CG 4.32Å; Y651-L687 HydrophobicContact CG-CD1 4.09Å; L652-L687 WeakPolarHBondContact O-CD1 3.22Å; L652-L687 PolarHBondContact O-N 3.03Å; P653-L687 HydrophobicContact CB-CD1 4.22Å; L687-E689 HydrophobicContact CB-CB 4.22Å; L687-E689 VanDerWaalsContact CB-CD 3.48Å; L687-E689 HydrophobicContact CB-CG 3.94Å; L687-E689 WeakPolarHBondContact CB-OE1 3.38Å; L687-E689 WeakPolarHBondContact CD2-OE2 3.49Å; L687-E689 PolarHBondContact O-N 2.82Å; L687-N712 HydrophobicContact CG-CB 4.37Å; L687-W805 HydrophobicContact CD2-CH2 3.61Å; L687-W805 HydrophobicContact CD2-CZ3 4.04Å; L687-W805 HydrophobicContact CG-CH2 4.26Å
688V98.4Very high96.1Very high2 Ų214.9 Ų14.91%0.0128%0.083CC..  trans-85.161.4174.3-170.70000107.9A686 A693 I697 L711 N712 Y718 Y750 V754A686-V688 PolarHBondContact O-N 3.25Å; V688-A693 HydrophobicContact CG1-CB 3.99Å; V688-I697 HydrophobicContact CG1-CD1 3.94Å; V688-I697 HydrophobicContact CG1-CG1 3.96Å; V688-I697 HydrophobicContact CG2-CD1 4.44Å; V688-I697 HydrophobicContact CG2-CG1 4.33Å; V688-L711 HydrophobicContact CG2-CB 3.89Å; V688-L711 HydrophobicContact CG2-CD1 3.91Å; V688-L711 HydrophobicContact CG2-CD2 4.05Å; V688-L711 HydrophobicContact CG2-CG 4.18Å; V688-N712 PolarHBondContact N-O 2.94Å; V688-Y718 WeakPolarHBondContact O-CD2 3.18Å; V688-Y750 HydrophobicContact CB-CE2 3.98Å; V688-Y750 HydrophobicContact CG1-CE2 3.76Å; V688-Y750 WeakPolarHBondContact O-CE2 3.19Å; V688-Y750 VanDerWaalsContact O-CZ 3.24Å; V688-Y750 PolarHBondContact O-OH 3.36Å; V688-V754 HydrophobicContact CB-CG2 4.4Å; V688-V754 HydrophobicContact CG2-CG2 4.43Å
689E97.6Very high96.4Very high9 Ų98.5 Ų8.54%0.0426%0.056CC..  trans-106.610.8-170.872.7-165.8156.500113.1P653 K654 L687 D717 Y718P653-E689 WeakPolarHBondContact CA-OE1 3.25Å; P653-E689 VanDerWaalsContact CB-OE1 3.25Å; P653-E689 WeakPolarHBondContact CB-OE1 3.21Å; K654-E689 HydrophobicContact CG-CG 4.14Å; K654-E689 WeakPolarHBondContact CG-OE1 3.49Å; K654-E689 PolarHBondContact N-OE1 2.97Å; L687-E689 HydrophobicContact CB-CB 4.22Å; L687-E689 VanDerWaalsContact CB-CD 3.48Å; L687-E689 HydrophobicContact CB-CG 3.94Å; L687-E689 WeakPolarHBondContact CB-OE1 3.38Å; L687-E689 WeakPolarHBondContact CD2-OE2 3.49Å; L687-E689 PolarHBondContact O-N 2.82Å; E689-D717 HydrophobicContact CB-CB 3.69Å; E689-D717 HydrophobicContact CG-CB 3.79Å; E689-D717 CarbonylContact O-C 3.51Å; E689-Y718 VanDerWaalsContact O-CA 3.23Å; E689-Y718 WeakPolarHBondContact O-CA 3.33Å; E689-Y718 PolarHBondContact O-N 3.07Å; E689-Y718 VanDerWaalsContact O-N 3.16Å
690H97.2Very high97.2Very high6 Ų64.4 Ų4.43%0.0283%0.031CC..SBendtrans-115130.6165.3-160.9-84.7000109.6M655 E656 L692 A693 S721M655-H690 WeakPolarHBondContact O-CB 3.43Å; E656-H690 HydrophobicContact CG-CB 4.18Å; E656-H690 IonicContact OE1-CD2 3.22Å; E656-H690 IonicContact OE1-NE2 2.89Å; E656-H690 PolarHBondContact OE1-NE2 3.3Å; E656-H690 IonicContact OE2-CE1 3.78Å; E656-H690 IonicContact OE2-NE2 2.65Å; H690-L692 PolarHBondContact ND1-N 2.99Å; H690-L692 PolarHBondContact O-N 3.37Å; H690-L692 VanDerWaalsContact O-N 3.15Å; H690-A693 WeakPolarHBondContact O-CA 3.46Å; H690-A693 WeakPolarHBondContact O-CB 2.94Å; H690-A693 PolarHBondContact O-N 2.89Å; H690-S721 WeakPolarHBondContact CA-OG 3.46Å; H690-S721 VanDerWaalsContact CD2-CB 3.4Å; H690-S721 WeakPolarHBondContact CD2-CB 3.19Å
691M95.4Very high97.7Very high0 Ų02.7 Ų2.70%01%0.013CC..G310 helixtrans-56.3-37.9-173.9178.5-81.2-63.500112.5P502 A693 T694 F695 Y718 S721 Y722 A725 F726 I844P502-M691 HydrophobicContact CG-CE 4.18Å; P502-M691 HydrophobicContact CG-SD 4.01Å; M691-A693 VanDerWaalsContact C-N 3.26Å; M691-A693 PolarHBondContact O-N 3.45Å; M691-T694 VanDerWaalsContact O-CB 3.27Å; M691-T694 WeakPolarHBondContact O-CB 3.22Å; M691-T694 PolarHBondContact O-N 2.96Å; M691-T694 VanDerWaalsContact O-N 3.16Å; M691-T694 PolarHBondContact O-OG1 2.8Å; M691-F695 HydrophobicContact SD-CD2 4.43Å; M691-F695 HydrophobicContact SD-CE2 3.63Å; M691-Y718 HydrophobicContact CB-CE1 4.36Å; M691-Y718 HydrophobicContact CB-CE2 4.31Å; M691-Y718 HydrophobicContact CG-CE1 4.41Å; M691-S721 PolarHBondContact N-OG 2.97Å; M691-Y722 HydrophobicContact CG-CD2 4.39Å; M691-A725 HydrophobicContact CE-CB 3.36Å; M691-F726 HydrophobicContact CE-CD2 4.23Å; M691-F726 HydrophobicContact CE-CE1 4.48Å; M691-F726 HydrophobicContact CE-CE2 3.45Å; M691-F726 VanDerWaalsContact CE-CE2 3.45Å; M691-F726 HydrophobicContact CE-CZ 3.59Å; M691-F726 HydrophobicContact SD-CE2 4.34Å; M691-F726 HydrophobicContact SD-CZ 4.43Å; M691-I844 HydrophobicContact SD-CG2 3.91Å
692L96.4Very high97.8Very high3 Ų35.2 Ų5.22%0.0163%0.025CC..G310 helixtrans-63.4-28.8175.8-59-178.4000113.7L496 P502 H690 T694 F695L496-L692 HydrophobicContact CD1-CD1 3.94Å; L496-L692 HydrophobicContact CD1-CD2 4.02Å; L496-L692 HydrophobicContact CD2-CD2 4.48Å; P502-L692 HydrophobicContact CB-CD2 3.69Å; P502-L692 HydrophobicContact CG-CD2 4.15Å; H690-L692 PolarHBondContact ND1-N 2.99Å; H690-L692 PolarHBondContact O-N 3.37Å; H690-L692 VanDerWaalsContact O-N 3.15Å; L692-T694 PolarHBondContact O-N 3.41Å; L692-F695 PolarHBondContact O-N 3.16Å
693A97.3Very high97.8Very high1 Ų16.3 Ų6.31%0.0083%0.032CC..G310 helixtrans-66.2-25.2177.800000111.9M655 V688 H690 M691 F695 E696 I697 I700M655-A693 WeakPolarHBondContact O-CB 3.49Å; V688-A693 HydrophobicContact CG1-CB 3.99Å; H690-A693 WeakPolarHBondContact O-CA 3.46Å; H690-A693 WeakPolarHBondContact O-CB 2.94Å; H690-A693 PolarHBondContact O-N 2.89Å; M691-A693 VanDerWaalsContact C-N 3.26Å; M691-A693 PolarHBondContact O-N 3.45Å; A693-F695 PolarHBondContact O-N 3.26Å; A693-E696 CarbonylContact O-C 3.53Å; A693-E696 PolarHBondContact O-N 3.48Å; A693-I697 VanDerWaalsContact O-CG1 3.27Å; A693-I697 WeakPolarHBondContact O-CG1 3.35Å; A693-I697 PolarHBondContact O-N 3.08Å; A693-I700 HydrophobicContact CB-CD1 3.91Å
694T97.4Very high97.7Very high0 Ų05.9 Ų5.90%03%0.031CC..G310 helixtrans-57-34.2175.9-590000112.4M691 L692 E696 I697 Y718 Y750 Y753 F843M691-T694 VanDerWaalsContact O-CB 3.27Å; M691-T694 WeakPolarHBondContact O-CB 3.22Å; M691-T694 PolarHBondContact O-N 2.96Å; M691-T694 VanDerWaalsContact O-N 3.16Å; M691-T694 PolarHBondContact O-OG1 2.8Å; L692-T694 PolarHBondContact O-N 3.41Å; T694-E696 VanDerWaalsContact C-N 3.28Å; T694-E696 PolarHBondContact O-N 2.81Å; T694-I697 HydrophobicContact CG2-CD1 4.42Å; T694-I697 WeakPolarHBondContact O-CG1 3.06Å; T694-Y718 VanDerWaalsContact OG1-CE2 3.26Å; T694-Y718 WeakPolarHBondContact OG1-CE2 3.16Å; T694-Y718 PolarHBondContact OG1-OH 3.37Å; T694-Y750 HydrophobicContact CG2-CD2 4.34Å; T694-Y753 HydrophobicContact CG2-CD1 4.11Å; T694-Y753 WeakPolarHBondContact O-CE1 3.35Å; T694-F843 HydrophobicContact CG2-CB 4.35Å; T694-F843 HydrophobicContact CG2-CD1 3.59Å; T694-F843 HydrophobicContact CG2-CD2 4.17Å; T694-F843 HydrophobicContact CG2-CE1 3.8Å; T694-F843 HydrophobicContact CG2-CE2 4.37Å; T694-F843 HydrophobicContact CG2-CG 3.77Å; T694-F843 HydrophobicContact CG2-CZ 4.17Å
695F97.5Very high97.6Very high4 Ų410.7 Ų10.72%0.0185%0.049CC..G310 helixtrans-81.1-8.8-179.4-62.4-89.3000113.6P502 F504 M691 L692 A693 A840 F843 I844P502-F695 HydrophobicContact CB-CD2 3.95Å; P502-F695 HydrophobicContact CB-CE1 4.44Å; P502-F695 HydrophobicContact CB-CE2 3.77Å; P502-F695 HydrophobicContact CB-CG 4.38Å; P502-F695 HydrophobicContact CB-CZ 4.02Å; P502-F695 HydrophobicContact CG-CD2 4.45Å; P502-F695 HydrophobicContact CG-CE2 3.78Å; P502-F695 HydrophobicContact CG-CZ 3.86Å; P502-F695 WeakPolarHBondContact O-CE1 3.35Å; F504-F695 WeakPolarHBondContact CD1-O 3.04Å; M691-F695 HydrophobicContact SD-CD2 4.43Å; M691-F695 HydrophobicContact SD-CE2 3.63Å; L692-F695 PolarHBondContact O-N 3.16Å; A693-F695 PolarHBondContact O-N 3.26Å; F695-A840 HydrophobicContact CE1-CB 3.79Å; F695-F843 AromaticContact CE1-CD2 3.99Å; F695-F843 HydrophobicContact CE1-CD2 3.99Å; F695-F843 HydrophobicContact CE2-CB 4.34Å; F695-F843 HydrophobicContact CZ-CB 3.93Å; F695-F843 HydrophobicContact CZ-CD2 4.08Å; F695-F843 HydrophobicContact CZ-CG 4.46Å; F695-I844 HydrophobicContact CE2-CG2 4.34Å; F695-I844 HydrophobicContact CZ-CG2 3.94Å
696E97.6Very high97.5Very high3 Ų313.7 Ų13.71%0.0146%0.063CC..G310 helixtrans-128.516.9-175.3-61.4-176.3-14100111.9R492 L505 S657 H658 A693 T694 E698 E699 I700R492-E696 IonicContact CZ-OE1 2.8Å; R492-E696 IonicContact NH1-OE1 2.95Å; R492-E696 PolarHBondContact NH1-OE1 2.78Å; R492-E696 IonicContact NH2-OE1 3.48Å; R492-E696 PolarHBondContact NH2-OE1 3.12Å; L505-E696 HydrophobicContact CD1-CG 3.93Å; L505-E696 HydrophobicContact CG-CG 4.22Å; S657-E696 VanDerWaalsContact CA-OE2 3.25Å; S657-E696 WeakPolarHBondContact CA-OE2 3.01Å; S657-E696 WeakPolarHBondContact CB-OE2 3.44Å; H658-E696 IonicContact CE1-OE2 3.03Å; H658-E696 IonicContact CG-OE2 3.95Å; H658-E696 PolarHBondContact N-OE2 3.16Å; H658-E696 IonicContact ND1-OE2 3.91Å; H658-E696 PolarHBondContact ND1-OE2 3.45Å; A693-E696 CarbonylContact O-C 3.53Å; A693-E696 PolarHBondContact O-N 3.48Å; T694-E696 VanDerWaalsContact C-N 3.28Å; T694-E696 PolarHBondContact O-N 2.81Å; E696-E698 VanDerWaalsContact C-N 3.32Å; E696-E698 PolarHBondContact O-N 2.96Å; E696-E699 WeakPolarHBondContact CA-OE2 3.37Å; E696-E699 CarbonylContact O-C 3.17Å; E696-E699 PolarHBondContact O-N 3.39Å; E696-I700 HydrophobicContact CB-CD1 4.46Å; E696-I700 WeakPolarHBondContact O-CB 3.37Å; E696-I700 VanDerWaalsContact O-CG1 3.29Å; E696-I700 WeakPolarHBondContact O-CG1 3.5Å; E696-I700 PolarHBondContact O-N 3.5Å
697I97.2Very high97.5Very high1 Ų113.7 Ų13.71%0.0056%0.062CC..Hα-helixtrans-55.8-46.6-176.5-71.4179.8000111.6V688 A693 T694 E699 I700 L701 L711 Y753 V754 I757V688-I697 HydrophobicContact CG1-CD1 3.94Å; V688-I697 HydrophobicContact CG1-CG1 3.96Å; V688-I697 HydrophobicContact CG2-CD1 4.44Å; V688-I697 HydrophobicContact CG2-CG1 4.33Å; A693-I697 VanDerWaalsContact O-CG1 3.27Å; A693-I697 WeakPolarHBondContact O-CG1 3.35Å; A693-I697 PolarHBondContact O-N 3.08Å; T694-I697 HydrophobicContact CG2-CD1 4.42Å; T694-I697 WeakPolarHBondContact O-CG1 3.06Å; I697-E699 VanDerWaalsContact C-N 3.32Å; I697-E699 PolarHBondContact O-N 2.96Å; I697-I700 PolarHBondContact O-N 3.12Å; I697-L701 HydrophobicContact CG2-CD1 4.49Å; I697-L701 WeakPolarHBondContact O-CG 3.13Å; I697-L701 PolarHBondContact O-N 3.22Å; I697-L711 HydrophobicContact CB-CD1 4.5Å; I697-L711 HydrophobicContact CG2-CD1 3.28Å; I697-Y753 HydrophobicContact CD1-CD1 3.92Å; I697-Y753 HydrophobicContact CD1-CE1 4.26Å; I697-V754 HydrophobicContact CD1-CG2 3.68Å; I697-I757 HydrophobicContact CG2-CB 4.03Å; I697-I757 HydrophobicContact CG2-CG2 3.62Å
698E97.1Very high97.4Very high5 Ų513.6 Ų13.62%0.0236%0.062CC..Hα-helixtrans-68.2-36.9-176.5-129.4166.4-164.200110.8R512 W516 E696 H702 I757 K760 R761R512-E698 WeakPolarHBondContact CA-OE2 3.24Å; R512-E698 WeakPolarHBondContact CB-OE2 3.48Å; R512-E698 HydrophobicContact CG-CB 4.13Å; R512-E698 WeakPolarHBondContact CG-OE2 3.28Å; W516-E698 WeakPolarHBondContact CH2-O 3.47Å; W516-E698 HydrophobicContact CZ2-CG 4.08Å; W516-E698 WeakPolarHBondContact CZ2-O 3.34Å; E696-E698 VanDerWaalsContact C-N 3.32Å; E696-E698 PolarHBondContact O-N 2.96Å; E698-H702 VanDerWaalsContact O-CB 3.29Å; E698-H702 WeakPolarHBondContact O-CB 3.33Å; E698-H702 PolarHBondContact O-N 3.26Å; E698-I757 HydrophobicContact CB-CG2 4.22Å; E698-I757 HydrophobicContact CG-CD1 4.41Å; E698-I757 HydrophobicContact CG-CG2 3.67Å; E698-K760 IonicContact OE1-NZ 2.72Å; E698-K760 PolarHBondContact OE1-NZ 2.87Å; E698-K760 IonicContact OE2-NZ 3.26Å; E698-R761 VanDerWaalsContact CD-NH2 3.25Å; E698-R761 HydrophobicContact CG-CG 4.37Å; E698-R761 IonicContact OE1-CZ 2.68Å; E698-R761 VanDerWaalsContact OE1-CZ 3.26Å; E698-R761 IonicContact OE1-NE 3.61Å; E698-R761 PolarHBondContact OE1-NE 2.74Å; E698-R761 IonicContact OE1-NH2 3.55Å; E698-R761 PolarHBondContact OE1-NH2 3.4Å; E698-R761 IonicContact OE2-NH2 3.32Å
699E98.4Very high97.4Very high2 Ų213.7 Ų13.71%0.0096%0.062CC..Hα-helixtrans-69.2-38.9173.8-65.879.5178.100112.2T508 I511 R512 H658 E696 I697 H702 S703T508-E699 WeakPolarHBondContact CB-OE1 3.3Å; T508-E699 HydrophobicContact CG2-CG 4.01Å; T508-E699 PolarHBondContact OG1-OE1 3.44Å; I511-E699 HydrophobicContact CD1-CG 4.4Å; R512-E699 WeakPolarHBondContact CG-OE1 3.45Å; R512-E699 IonicContact CZ-OE1 3.12Å; R512-E699 IonicContact NH1-OE1 2.76Å; R512-E699 PolarHBondContact NH1-OE1 3Å; H658-E699 HydrophobicContact CB-CB 3.4Å; H658-E699 VanDerWaalsContact CB-CB 3.4Å; E696-E699 WeakPolarHBondContact CA-OE2 3.37Å; E696-E699 CarbonylContact O-C 3.17Å; E696-E699 PolarHBondContact O-N 3.39Å; I697-E699 VanDerWaalsContact C-N 3.32Å; I697-E699 PolarHBondContact O-N 2.96Å; E699-H702 PolarHBondContact O-N 3.29Å; E699-S703 VanDerWaalsContact O-CB 3.27Å; E699-S703 WeakPolarHBondContact O-CB 3.46Å; E699-S703 PolarHBondContact O-N 3.26Å; E699-S703 PolarHBondContact O-OG 3.27Å; E699-S703 VanDerWaalsContact O-OG 3.14Å
700I98.5Very high97.4Very high4 Ų413.2 Ų13.22%0.0216%0.06CC..Hα-helixtrans-60.8-48.7174-75164.8000110.1M655 H658 A661 A686 A693 E696 I697 H702 S703 M708M655-I700 HydrophobicContact CE-CG2 4.31Å; H658-I700 HydrophobicContact CB-CG1 4.13Å; A661-I700 HydrophobicContact CB-CB 4.31Å; A661-I700 HydrophobicContact CB-CG1 4.32Å; A661-I700 HydrophobicContact CB-CG2 3.99Å; A686-I700 HydrophobicContact CB-CG2 4.44Å; A693-I700 HydrophobicContact CB-CD1 3.91Å; E696-I700 HydrophobicContact CB-CD1 4.46Å; E696-I700 WeakPolarHBondContact O-CB 3.37Å; E696-I700 VanDerWaalsContact O-CG1 3.29Å; E696-I700 WeakPolarHBondContact O-CG1 3.5Å; E696-I700 PolarHBondContact O-N 3.5Å; I697-I700 PolarHBondContact O-N 3.12Å; I700-H702 VanDerWaalsContact C-N 3.33Å; I700-H702 PolarHBondContact O-N 3.41Å; I700-S703 PolarHBondContact O-N 2.76Å; I700-M708 HydrophobicContact CG2-CE 3.85Å
701L98.5Very high97.5Very high0 Ų013 Ų130%06%0.059CC..Hα-helixtrans-59.4-45175-72.6-178.9000111W516 V518 I697 M704 R705 M708 L711 I757 R761 A763W516-L701 HydrophobicContact CH2-CB 3.72Å; W516-L701 HydrophobicContact CZ3-CB 4.2Å; V518-L701 HydrophobicContact CG1-CB 4.38Å; V518-L701 HydrophobicContact CG1-CD2 4.36Å; I697-L701 HydrophobicContact CG2-CD1 4.49Å; I697-L701 WeakPolarHBondContact O-CG 3.13Å; I697-L701 PolarHBondContact O-N 3.22Å; L701-M704 CarbonylContact O-C 3.48Å; L701-R705 WeakPolarHBondContact O-CA 3.49Å; L701-R705 WeakPolarHBondContact O-CB 3.33Å; L701-R705 PolarHBondContact O-N 3.46Å; L701-M708 HydrophobicContact CD2-CB 4.47Å; L701-M708 HydrophobicContact CD2-CE 4.32Å; L701-M708 HydrophobicContact CD2-CG 3.5Å; L701-L711 HydrophobicContact CD1-CD1 4.2Å; L701-L711 HydrophobicContact CD2-CD1 3.94Å; L701-L711 HydrophobicContact CD2-CD2 3.85Å; L701-L711 HydrophobicContact CD2-CG 3.78Å; L701-L711 HydrophobicContact CG-CD1 4.01Å; L701-L711 HydrophobicContact CG-CG 4.4Å; L701-I757 HydrophobicContact CD1-CG2 3.83Å; L701-R761 HydrophobicContact CD1-CB 3.96Å; L701-R761 HydrophobicContact CD1-CG 4.01Å; L701-A763 HydrophobicContact CD2-CB 4.11Å
702H98.4Very high97.6Very high57 Ų5713 Ų1326%0.2646%0.059SC..Hα-helixtrans-65.6-45.1-178.8-175.4-92.8000112.4I511 W516 E698 E699 I700 M704 R705I511-H702 HydrophobicContact CG2-CB 3.57Å; W516-H702 AromaticContact CD2-CD2 3.88Å; W516-H702 AromaticContact CE2-CD2 3.78Å; W516-H702 HydrophobicContact CH2-CB 3.69Å; W516-H702 HydrophobicContact CZ2-CB 3.7Å; W516-H702 HydrophobicContact CZ3-CB 4.26Å; E698-H702 VanDerWaalsContact O-CB 3.29Å; E698-H702 WeakPolarHBondContact O-CB 3.33Å; E698-H702 PolarHBondContact O-N 3.26Å; E699-H702 PolarHBondContact O-N 3.29Å; I700-H702 VanDerWaalsContact C-N 3.33Å; I700-H702 PolarHBondContact O-N 3.41Å; H702-M704 PolarHBondContact O-N 3.39Å; H702-M704 VanDerWaalsContact O-N 3.12Å; H702-R705 PolarHBondContact O-N 2.96Å
703S97.8Very high97.7Very high22 Ų2212.8 Ų12.815%0.1546%0.058CC..Hα-helixtrans-58.7-24-177.6-81.50000114H658 K665 E699 I700H658-S703 WeakPolarHBondContact O-CB 3.27Å; H658-S703 PolarHBondContact O-OG 2.93Å; K665-S703 WeakPolarHBondContact CD-O 3.37Å; E699-S703 VanDerWaalsContact O-CB 3.27Å; E699-S703 WeakPolarHBondContact O-CB 3.46Å; E699-S703 PolarHBondContact O-N 3.26Å; E699-S703 PolarHBondContact O-OG 3.27Å; E699-S703 VanDerWaalsContact O-OG 3.14Å; I700-S703 PolarHBondContact O-N 2.76Å
704M96Very high97.4Very high0 Ų013.3 Ų13.30%06%0.063CC..THydrogen-bonded Turntrans-135.935.217666.4156.638.400113.5L652 W664 K665 F668 S684 L701 H702 E706 Y707 M708L652-M704 HydrophobicContact CD1-CE 3.67Å; L652-M704 HydrophobicContact CD1-SD 3.99Å; W664-M704 HydrophobicContact CB-CE 3.33Å; W664-M704 HydrophobicContact CG-CE 4.31Å; K665-M704 HydrophobicContact CB-CB 3.96Å; F668-M704 HydrophobicContact CD1-CE 4.15Å; F668-M704 HydrophobicContact CE1-CE 4.14Å; S684-M704 PolarHBondContact OG-SD 3.28Å; L701-M704 CarbonylContact O-C 3.48Å; H702-M704 PolarHBondContact O-N 3.39Å; H702-M704 VanDerWaalsContact O-N 3.12Å; M704-E706 PolarHBondContact O-N 2.71Å; M704-Y707 PolarHBondContact O-N 3.08Å; M704-M708 HydrophobicContact CG-CB 4.25Å; M704-M708 HydrophobicContact CG-CE 3.51Å; M704-M708 HydrophobicContact CG-SD 4.44Å; M704-M708 PolarHBondContact O-N 2.89Å; M704-M708 HydrophobicContact SD-CB 4.48Å; M704-M708 HydrophobicContact SD-CE 3.3Å; M704-M708 WeakPolarHBondContact SD-CE 3.45Å; M704-M708 HydrophobicContact SD-SD 3.85Å
705R97Very high97.3Very high101 Ų10116.6 Ų16.638%0.3818%0.076SC..THydrogen-bonded Turntrans-56.1-23.5-173.170.6-176.9-158.6-176.910.1114.4W516 V518 A519 L701 H702 Y707W516-R705 HydrophobicContact CZ3-CB 4.46Å; V518-R705 CarbonylContact C-O 3.52Å; V518-R705 WeakPolarHBondContact CA-O 3.42Å; V518-R705 HydrophobicContact CG1-CB 4.33Å; A519-R705 PolarHBondContact N-O 2.98Å; L701-R705 WeakPolarHBondContact O-CA 3.49Å; L701-R705 WeakPolarHBondContact O-CB 3.33Å; L701-R705 PolarHBondContact O-N 3.46Å; H702-R705 PolarHBondContact O-N 2.96Å; R705-Y707 VanDerWaalsContact C-N 3.33Å
706E96.4Very high97.3Very high64 Ų6418.7 Ų18.730%0.2998%0.084SC..THydrogen-bonded Turntrans-71.7-28176.5-57.687.2169.400113.1A519 K665 R683 M704A519-E706 WeakPolarHBondContact CB-O 3.37Å; K665-E706 WeakPolarHBondContact CE-OE2 3.15Å; K665-E706 IonicContact NZ-OE1 2.71Å; K665-E706 IonicContact NZ-OE2 3.28Å; R683-E706 PolarHBondContact NH1-O 2.62Å; M704-E706 PolarHBondContact O-N 2.71Å
707Y97.9Very high97.3Very high2 Ų219 Ų191%0.0089%0.085CC..THydrogen-bonded Turntrans-108.7-26-172.4-62-66.2000112.7K665 F668 D669 K672 L682 R683 S684 M704 R705K665-Y707 HydrophobicContact CG-CD2 4.41Å; K665-Y707 HydrophobicContact CG-CE2 4.26Å; F668-Y707 HydrophobicContact CB-CD1 4.08Å; F668-Y707 HydrophobicContact CB-CD2 3.78Å; F668-Y707 HydrophobicContact CB-CE1 3.92Å; F668-Y707 HydrophobicContact CB-CE2 3.6Å; F668-Y707 HydrophobicContact CB-CG 4.01Å; F668-Y707 HydrophobicContact CD2-CD1 4.26Å; F668-Y707 HydrophobicContact CD2-CG 4.49Å; F668-Y707 HydrophobicContact CG-CD1 4.28Å; F668-Y707 HydrophobicContact CG-CD2 4.3Å; F668-Y707 HydrophobicContact CG-CG 4.15Å; D669-Y707 WeakPolarHBondContact CA-OH 3.46Å; D669-Y707 PolarHBondContact N-OH 3.29Å; D669-Y707 PolarHBondContact OD1-OH 3.42Å; K672-Y707 PolarHBondContact NZ-OH 2.69Å; L682-Y707 HydrophobicContact CB-CD1 4.29Å; L682-Y707 HydrophobicContact CB-CE1 4.32Å; L682-Y707 WeakPolarHBondContact O-CD1 3.25Å; R683-Y707 CarbonylContact C-O 3.28Å; R683-Y707 VanDerWaalsContact CA-O 3.27Å; R683-Y707 WeakPolarHBondContact CA-O 3.2Å; S684-Y707 PolarHBondContact N-O 2.78Å; S684-Y707 PolarHBondContact OG-O 3.37Å; M704-Y707 PolarHBondContact O-N 3.08Å; R705-Y707 VanDerWaalsContact C-N 3.33Å
708M97.7Very high97.3Very high0 Ų018.9 Ų18.90%09%0.085CC..EExtended strand (participates in β ladder)trans-71135.8-175.4-159.767.189.200112.8V518 S684 A686 I700 L701 M704 G710 L711V518-M708 HydrophobicContact CG1-CB 4.16Å; S684-M708 CarbonylContact O-C 3.41Å; A686-M708 HydrophobicContact CB-CE 3.77Å; A686-M708 HydrophobicContact CB-SD 4.17Å; I700-M708 HydrophobicContact CG2-CE 3.85Å; L701-M708 HydrophobicContact CD2-CB 4.47Å; L701-M708 HydrophobicContact CD2-CE 4.32Å; L701-M708 HydrophobicContact CD2-CG 3.5Å; M704-M708 HydrophobicContact CG-CB 4.25Å; M704-M708 HydrophobicContact CG-CE 3.51Å; M704-M708 HydrophobicContact CG-SD 4.44Å; M704-M708 PolarHBondContact O-N 2.89Å; M704-M708 HydrophobicContact SD-CB 4.48Å; M704-M708 HydrophobicContact SD-CE 3.3Å; M704-M708 WeakPolarHBondContact SD-CE 3.45Å; M704-M708 HydrophobicContact SD-SD 3.85Å; M708-G710 VanDerWaalsContact SD-O 3.36Å; M708-L711 HydrophobicContact CE-CD2 4.21Å; M708-L711 HydrophobicContact SD-CD2 4.46Å
709V97.7Very high97.3Very high3 Ų318.7 Ų18.72%0.0188%0.084CC..EExtended strand (participates in β ladder)trans-114.5-28.7174.4175.60000111.2A521 L525 R683 S684 A763 H764A521-V709 HydrophobicContact CB-CG1 3.69Å; A521-V709 HydrophobicContact CB-CG2 4.46Å; L525-V709 HydrophobicContact CB-CG1 4.36Å; L525-V709 HydrophobicContact CD1-CG1 4.32Å; L525-V709 HydrophobicContact CD1-CG2 4.19Å; R683-V709 HydrophobicContact CB-CG2 3.74Å; R683-V709 HydrophobicContact CG-CG2 4.18Å; S684-V709 PolarHBondContact O-N 3.43Å; V709-A763 CarbonylContact O-C 3.6Å; V709-A763 WeakPolarHBondContact O-CA 3.38Å; V709-H764 PolarHBondContact O-N 2.92Å
710G97.9Very high97.3Very high0 Ų018.7 Ų18.70%08%0.084CC..EExtended strand (participates in β ladder)trans-174.5-177.2-178.400000114T685 A686 M708 H764T685-G710 VanDerWaalsContact CA-O 3.26Å; T685-G710 WeakPolarHBondContact CA-O 3.44Å; T685-G710 VanDerWaalsContact CG2-C 3.45Å; T685-G710 WeakPolarHBondContact CG2-O 3.4Å; A686-G710 PolarHBondContact N-O 3.22Å; A686-G710 VanDerWaalsContact N-O 3.1Å; M708-G710 VanDerWaalsContact SD-O 3.36Å; G710-H764 CarbonylContact C-O 3.55Å; G710-H764 WeakPolarHBondContact CA-O 3.26Å
711L98.6Very high97.2Very high0 Ų018.6 Ų18.60%08%0.083CC..EExtended strand (participates in β ladder)trans-127.9153.7170.7-58.3176.4000110A686 V688 I697 L701 M708 V754 C758 H764 A765 I766A686-L711 HydrophobicContact CB-CD2 3.72Å; A686-L711 CarbonylContact O-C 3.56Å; A686-L711 WeakPolarHBondContact O-CA 3.39Å; V688-L711 HydrophobicContact CG2-CB 3.89Å; V688-L711 HydrophobicContact CG2-CD1 3.91Å; V688-L711 HydrophobicContact CG2-CD2 4.05Å; V688-L711 HydrophobicContact CG2-CG 4.18Å; I697-L711 HydrophobicContact CB-CD1 4.5Å; I697-L711 HydrophobicContact CG2-CD1 3.28Å; L701-L711 HydrophobicContact CD1-CD1 4.2Å; L701-L711 HydrophobicContact CD2-CD1 3.94Å; L701-L711 HydrophobicContact CD2-CD2 3.85Å; L701-L711 HydrophobicContact CD2-CG 3.78Å; L701-L711 HydrophobicContact CG-CD1 4.01Å; L701-L711 HydrophobicContact CG-CG 4.4Å; M708-L711 HydrophobicContact CE-CD2 4.21Å; M708-L711 HydrophobicContact SD-CD2 4.46Å; L711-V754 HydrophobicContact CB-CG1 3.85Å; L711-V754 HydrophobicContact CD1-CG1 4.38Å; L711-C758 VanDerWaalsContact CB-SG 3.58Å; L711-C758 VanDerWaalsContact CD1-SG 3.56Å; L711-C758 VanDerWaalsContact CG-SG 3.57Å; L711-H764 PolarHBondContact N-O 3.36Å; L711-A765 WeakPolarHBondContact O-CA 3.4Å; L711-I766 PolarHBondContact O-N 2.84Å
712N98.6Very high97.2Very high0 Ų018.6 Ų18.60%08%0.083CC..EExtended strand (participates in β ladder)trans-116.2142.9175.9170.2-86.9000111.7Y651 A686 L687 V688 I766 G767Y651-N712 HydrophobicContact CE1-CB 3.73Å; A686-N712 PolarHBondContact O-N 3.32Å; L687-N712 HydrophobicContact CG-CB 4.37Å; V688-N712 PolarHBondContact N-O 2.94Å; N712-I766 CarbonylContact C-O 3.56Å; N712-I766 WeakPolarHBondContact CA-O 3.38Å; N712-I766 HydrophobicContact CB-CB 4.23Å; N712-G767 PolarHBondContact ND2-O 3.4Å
713C97.8Very high97.1Very high0 Ų015.9 Ų15.90%07%0.071CC..  trans-90.8121.6170.3-73.90000111.9Y750 I766 G768 H801C713-Y750 WeakPolarHBondContact CA-OH 3.37Å; C713-Y750 HydrophobicContact CB-CE1 4.11Å; C713-I766 PolarHBondContact N-O 3.44Å; C713-G768 VanDerWaalsContact O-CA 3.25Å; C713-G768 WeakPolarHBondContact O-CA 3.49Å; C713-H801 VanDerWaalsContact SG-CE1 3.53Å
714G91.2Very high97.1Very high11 Ų1114.9 Ų14.911%0.1136%0.064CC..  trans-105.7161175.200000113Y750G714-Y750 PolarHBondContact N-OH 2.7Å
715R95.4Very high97.1Very high69 Ų6914.9 Ų14.926%0.266%0.064SC..SBendtrans-109-64173.9-173.9-179.4179.2-170.2-5.7111.9Y718 I719 R737 E738 V740 M742 M747R715-Y718 PolarHBondContact O-N 3.46Å; R715-I719 HydrophobicContact CG-CD1 3.67Å; R715-I719 WeakPolarHBondContact O-CD1 3.48Å; R715-I719 WeakPolarHBondContact O-CG1 3.16Å; R715-I719 PolarHBondContact O-N 2.84Å; R715-R737 PolarHBondContact NH2-O 2.97Å; R715-R737 VanDerWaalsContact NH2-O 3.09Å; R715-E738 PolarHBondContact NH2-O 2.69Å; R715-V740 VanDerWaalsContact CZ-O 3.28Å; R715-V740 PolarHBondContact NE-O 3.15Å; R715-V740 VanDerWaalsContact NH2-C 3.3Å; R715-V740 PolarHBondContact NH2-O 2.8Å; R715-M742 HydrophobicContact CB-SD 4.08Å; R715-M742 HydrophobicContact CG-SD 4.23Å; R715-M747 HydrophobicContact CG-CE 4.46Å
716W96.5Very high97Very high49 Ų4910.1 Ų10.119%0.1865%0.046CC..Hα-helixtrans-68.7-49.7-169.4-63.1146.4000113.5Y718 I719 F720 R737 A887 T888 I891W716-Y718 VanDerWaalsContact C-N 3.28Å; W716-Y718 PolarHBondContact O-N 3.02Å; W716-I719 HydrophobicContact CE3-CD1 4.21Å; W716-I719 HydrophobicContact CZ3-CD1 4.24Å; W716-I719 PolarHBondContact O-N 3.02Å; W716-F720 WeakPolarHBondContact O-CB 3.38Å; W716-F720 PolarHBondContact O-N 3.31Å; W716-R737 HydrophobicContact CH2-CB 4.38Å; W716-R737 HydrophobicContact CH2-CG 4.36Å; W716-R737 HydrophobicContact CZ3-CB 3.87Å; W716-R737 HydrophobicContact CZ3-CG 4.27Å; W716-R737 WeakPolarHBondContact CZ3-O 3.4Å; W716-A887 HydrophobicContact CB-CB 3.82Å; W716-T888 VanDerWaalsContact CD1-OG1 3.23Å; W716-I891 HydrophobicContact CB-CG2 4.08Å; W716-I891 HydrophobicContact CD2-CG2 4.08Å; W716-I891 HydrophobicContact CE3-CG1 4.35Å; W716-I891 HydrophobicContact CE3-CG2 3.98Å; W716-I891 HydrophobicContact CG-CG2 4.15Å
717D97.7Very high97Very high8 Ų88 Ų84%0.0434%0.035CC..Hα-helixtrans-59.8-39.7174.4-100.7-40.6000112.2K654 E689 I719 F720 S721 A887K654-D717 VanDerWaalsContact CE-OD1 3.26Å; K654-D717 WeakPolarHBondContact CE-OD1 3.39Å; K654-D717 WeakPolarHBondContact CE-OD2 3.33Å; K654-D717 IonicContact NZ-OD1 3.26Å; K654-D717 IonicContact NZ-OD2 2.75Å; K654-D717 PolarHBondContact NZ-OD2 3.07Å; E689-D717 HydrophobicContact CB-CB 3.69Å; E689-D717 HydrophobicContact CG-CB 3.79Å; E689-D717 CarbonylContact O-C 3.51Å; D717-I719 PolarHBondContact O-N 2.94Å; D717-F720 WeakPolarHBondContact O-CB 3.44Å; D717-F720 PolarHBondContact O-N 2.8Å; D717-S721 WeakPolarHBondContact O-CB 3.22Å; D717-S721 PolarHBondContact O-N 3.25Å; D717-S721 PolarHBondContact O-OG 3Å; D717-A887 HydrophobicContact CB-CB 4.43Å
718Y98.1Very high96.9Very high0 Ų013.8 Ų13.80%06%0.057CC..Hα-helixtrans-62.4-48.2179.4-166.8-88.6000111.7V688 E689 M691 T694 R715 W716 S721 Y722 F746 M747 Y750V688-Y718 WeakPolarHBondContact O-CD2 3.18Å; E689-Y718 VanDerWaalsContact O-CA 3.23Å; E689-Y718 WeakPolarHBondContact O-CA 3.33Å; E689-Y718 PolarHBondContact O-N 3.07Å; E689-Y718 VanDerWaalsContact O-N 3.16Å; M691-Y718 HydrophobicContact CB-CE1 4.36Å; M691-Y718 HydrophobicContact CB-CE2 4.31Å; M691-Y718 HydrophobicContact CG-CE1 4.41Å; T694-Y718 VanDerWaalsContact OG1-CE2 3.26Å; T694-Y718 WeakPolarHBondContact OG1-CE2 3.16Å; T694-Y718 PolarHBondContact OG1-OH 3.37Å; R715-Y718 PolarHBondContact O-N 3.46Å; W716-Y718 VanDerWaalsContact C-N 3.28Å; W716-Y718 PolarHBondContact O-N 3.02Å; Y718-S721 PolarHBondContact O-N 2.94Å; Y718-S721 PolarHBondContact O-OG 3.06Å; Y718-Y722 PolarHBondContact O-N 2.7Å; Y718-F746 HydrophobicContact CD1-CE2 4.1Å; Y718-F746 HydrophobicContact CE1-CD2 4.03Å; Y718-F746 AromaticContact CE1-CE2 3.78Å; Y718-F746 HydrophobicContact CE1-CE2 3.78Å; Y718-M747 HydrophobicContact CD1-CE 4Å; Y718-M747 HydrophobicContact CD1-SD 3.5Å; Y718-M747 WeakPolarHBondContact CD1-SD 3.25Å; Y718-M747 HydrophobicContact CE1-SD 3.94Å; Y718-M747 HydrophobicContact CG-CE 4.42Å; Y718-M747 HydrophobicContact CG-SD 4.45Å; Y718-Y750 HydrophobicContact CD1-CD1 4.49Å; Y718-Y750 HydrophobicContact CD2-CD1 4.38Å; Y718-Y750 HydrophobicContact CD2-CD2 4.26Å; Y718-Y750 HydrophobicContact CD2-CE1 4.04Å; Y718-Y750 AromaticContact CD2-CE2 3.89Å; Y718-Y750 HydrophobicContact CD2-CE2 3.89Å; Y718-Y750 HydrophobicContact CD2-CG 4.46Å; Y718-Y750 AromaticContact CD2-CZ 3.74Å; Y718-Y750 HydrophobicContact CE1-CD1 4.36Å; Y718-Y750 HydrophobicContact CE1-CG 4.27Å; Y718-Y750 HydrophobicContact CE2-CD1 4.25Å; Y718-Y750 AromaticContact CE2-CD2 3.57Å; Y718-Y750 HydrophobicContact CE2-CD2 3.57Å; Y718-Y750 HydrophobicContact CE2-CE1 4.26Å; Y718-Y750 AromaticContact CE2-CE2 3.58Å; Y718-Y750 HydrophobicContact CE2-CE2 3.58Å; Y718-Y750 AromaticContact CE2-CG 3.89Å; Y718-Y750 HydrophobicContact CE2-CG 3.89Å; Y718-Y750 AromaticContact CE2-CZ 3.91Å; Y718-Y750 HydrophobicContact CG-CD1 4.49Å; Y718-Y750 HydrophobicContact CG-CE1 4.23Å; Y718-Y750 AromaticContact CZ-CD2 3.85Å; Y718-Y750 AromaticContact CZ-CG 3.79Å
719I97.3Very high96.7Very high0 Ų014.8 Ų14.80%06%0.062CC..Hα-helixtrans-71.7-34.5179.9-58.4161.7000110.7R715 W716 D717 Y722 I723 L734 V740 F746 M747 I891R715-I719 HydrophobicContact CG-CD1 3.67Å; R715-I719 WeakPolarHBondContact O-CD1 3.48Å; R715-I719 WeakPolarHBondContact O-CG1 3.16Å; R715-I719 PolarHBondContact O-N 2.84Å; W716-I719 HydrophobicContact CE3-CD1 4.21Å; W716-I719 HydrophobicContact CZ3-CD1 4.24Å; W716-I719 PolarHBondContact O-N 3.02Å; D717-I719 PolarHBondContact O-N 2.94Å; I719-Y722 WeakPolarHBondContact O-CB 3.35Å; I719-Y722 PolarHBondContact O-N 2.8Å; I719-I723 PolarHBondContact O-N 3.38Å; I719-I723 VanDerWaalsContact O-N 3.13Å; I719-L734 HydrophobicContact CG2-CD1 3.33Å; I719-V740 HydrophobicContact CD1-CB 3.91Å; I719-V740 HydrophobicContact CD1-CG1 3.51Å; I719-V740 WeakPolarHBondContact CD1-O 3.42Å; I719-V740 HydrophobicContact CG1-CG1 3.9Å; I719-V740 HydrophobicContact CG2-CG1 4.15Å; I719-F746 HydrophobicContact CG1-CZ 4.34Å; I719-M747 HydrophobicContact CD1-CE 4.34Å; I719-M747 HydrophobicContact CD1-SD 4.36Å; I719-M747 HydrophobicContact CG1-CE 4.15Å; I719-M747 HydrophobicContact CG1-SD 3.82Å; I719-I891 HydrophobicContact CB-CD1 4.1Å; I719-I891 HydrophobicContact CG2-CD1 3.63Å; I719-I891 HydrophobicContact CG2-CG1 4.45Å
720F97.9Very high96.6Very high2 Ų218.2 Ų18.21%0.0098%0.084CC..Hα-helixtrans-58.9-48.5171.2160.3-129.8000110.9W716 D717 Y722 I723 K724 E890 I891 S894 M954 E956 F957W716-F720 WeakPolarHBondContact O-CB 3.38Å; W716-F720 PolarHBondContact O-N 3.31Å; D717-F720 WeakPolarHBondContact O-CB 3.44Å; D717-F720 PolarHBondContact O-N 2.8Å; F720-Y722 VanDerWaalsContact C-N 3.26Å; F720-Y722 PolarHBondContact O-N 2.8Å; F720-I723 PolarHBondContact O-N 3.25Å; F720-I723 VanDerWaalsContact O-N 3.14Å; F720-K724 HydrophobicContact CZ-CD 4.33Å; F720-K724 PolarHBondContact O-N 3.12Å; F720-E890 HydrophobicContact CB-CB 4.46Å; F720-E890 HydrophobicContact CD1-CB 3.76Å; F720-E890 HydrophobicContact CD1-CG 4.32Å; F720-E890 HydrophobicContact CD2-CB 4.09Å; F720-E890 HydrophobicContact CE1-CB 3.89Å; F720-E890 HydrophobicContact CE1-CG 4.02Å; F720-E890 HydrophobicContact CE2-CB 4.22Å; F720-E890 HydrophobicContact CG-CB 3.84Å; F720-E890 HydrophobicContact CZ-CB 4.1Å; F720-E890 HydrophobicContact CZ-CG 4.26Å; F720-I891 HydrophobicContact CB-CB 4.3Å; F720-S894 WeakPolarHBondContact CD2-OG 3.49Å; F720-S894 WeakPolarHBondContact CE2-OG 3.4Å; F720-M954 HydrophobicContact CD2-CE 4.28Å; F720-M954 HydrophobicContact CE2-CE 3.87Å; F720-E956 VanDerWaalsContact CZ-O 3.28Å; F720-E956 WeakPolarHBondContact CZ-O 3.46Å; F720-F957 AromaticContact CE1-CD1 3.83Å; F720-F957 HydrophobicContact CE1-CD1 3.83Å; F720-F957 AromaticContact CE1-CE1 3.73Å; F720-F957 HydrophobicContact CE1-CE1 3.73Å; F720-F957 HydrophobicContact CZ-CD1 4.18Å; F720-F957 HydrophobicContact CZ-CE1 4.36Å
721S97.4Very high96.5Very high2 Ų223.6 Ų23.61%0.01411%0.109CC..Hα-helixtrans-63.3-31.9177.678.30000112.8H690 M691 D717 Y718 K724 A725H690-S721 WeakPolarHBondContact CA-OG 3.46Å; H690-S721 VanDerWaalsContact CD2-CB 3.4Å; H690-S721 WeakPolarHBondContact CD2-CB 3.19Å; M691-S721 PolarHBondContact N-OG 2.97Å; D717-S721 WeakPolarHBondContact O-CB 3.22Å; D717-S721 PolarHBondContact O-N 3.25Å; D717-S721 PolarHBondContact O-OG 3Å; Y718-S721 PolarHBondContact O-N 2.94Å; Y718-S721 PolarHBondContact O-OG 3.06Å; S721-K724 PolarHBondContact O-N 2.84Å; S721-A725 VanDerWaalsContact O-CB 3.23Å; S721-A725 WeakPolarHBondContact O-CB 3.29Å; S721-A725 PolarHBondContact O-N 3.44Å
722Y97.4Very high96.3Very high0 Ų024.8 Ų24.80%011%0.114CC..Hα-helixtrans-62.1-47.8173.3179.9-76.5000110.9M691 Y718 I719 F720 K724 A725 F726 Y732 L734 F746 I844 T846M691-Y722 HydrophobicContact CG-CD2 4.39Å; Y718-Y722 PolarHBondContact O-N 2.7Å; I719-Y722 WeakPolarHBondContact O-CB 3.35Å; I719-Y722 PolarHBondContact O-N 2.8Å; F720-Y722 VanDerWaalsContact C-N 3.26Å; F720-Y722 PolarHBondContact O-N 2.8Å; Y722-K724 VanDerWaalsContact C-N 3.29Å; Y722-K724 PolarHBondContact O-N 2.89Å; Y722-A725 PolarHBondContact O-N 3.19Å; Y722-F726 HydrophobicContact CD1-CD2 4.04Å; Y722-F726 HydrophobicContact CD2-CD2 4.06Å; Y722-F726 AromaticContact CD2-CE2 3.94Å; Y722-F726 HydrophobicContact CD2-CE2 3.94Å; Y722-F726 AromaticContact CE1-CD2 3.97Å; Y722-F726 HydrophobicContact CE1-CD2 3.97Å; Y722-F726 HydrophobicContact CE2-CD2 4.02Å; Y722-F726 AromaticContact CE2-CE2 3.85Å; Y722-F726 HydrophobicContact CE2-CE2 3.85Å; Y722-F726 HydrophobicContact CG-CD2 4.09Å; Y722-F726 HydrophobicContact CG-CE2 4.4Å; Y722-F726 AromaticContact CZ-CD2 3.98Å; Y722-F726 WeakPolarHBondContact O-CD2 3.47Å; Y722-F726 PolarHBondContact O-N 3.29Å; Y722-Y732 AromaticContact CZ-CD1 3.97Å; Y722-Y732 WeakPolarHBondContact OH-CD1 3.47Å; Y722-L734 HydrophobicContact CD1-CD1 3.92Å; Y722-L734 HydrophobicContact CD1-CD2 3.96Å; Y722-L734 HydrophobicContact CD1-CG 4.06Å; Y722-L734 HydrophobicContact CE1-CD1 4.34Å; Y722-L734 HydrophobicContact CE1-CD2 3.54Å; Y722-L734 HydrophobicContact CE1-CG 4Å; Y722-F746 HydrophobicContact CD2-CD2 4.19Å; Y722-F746 AromaticContact CD2-CE2 3.84Å; Y722-F746 HydrophobicContact CD2-CE2 3.84Å; Y722-F746 HydrophobicContact CD2-CZ 4.46Å; Y722-F746 HydrophobicContact CE2-CD2 4.24Å; Y722-F746 HydrophobicContact CE2-CE2 4.19Å; Y722-F746 HydrophobicContact CG-CE2 4.48Å; Y722-I844 PolarHBondContact OH-O 3.38Å; Y722-I844 VanDerWaalsContact OH-O 3.12Å; Y722-T846 WeakPolarHBondContact OH-CA 3.12Å; Y722-T846 PolarHBondContact OH-N 2.87Å; Y722-T846 PolarHBondContact OH-OG1 3.16Å
723I97.4Very high96.2Very high0 Ų026.2 Ų26.20%012%0.121CC..Hα-helixtrans-60.1-44.2174.7-63.1178.6000110I719 F720 F726 R727 L734 I891 Q895 Q898 M954I719-I723 PolarHBondContact O-N 3.38Å; I719-I723 VanDerWaalsContact O-N 3.13Å; F720-I723 PolarHBondContact O-N 3.25Å; F720-I723 VanDerWaalsContact O-N 3.14Å; I723-F726 CarbonylContact O-C 3.59Å; I723-F726 PolarHBondContact O-N 3.16Å; I723-R727 VanDerWaalsContact O-CA 3.25Å; I723-R727 WeakPolarHBondContact O-CA 3.35Å; I723-R727 WeakPolarHBondContact O-CB 3.35Å; I723-R727 PolarHBondContact O-N 3Å; I723-L734 HydrophobicContact CD1-CD1 4.01Å; I723-L734 HydrophobicContact CG1-CD1 3.62Å; I723-L734 HydrophobicContact CG1-CG 4.24Å; I723-I891 HydrophobicContact CD1-CD1 3.63Å; I723-Q895 HydrophobicContact CD1-CG 3.69Å; I723-Q898 HydrophobicContact CG2-CB 3.8Å; I723-Q898 HydrophobicContact CG2-CG 3.98Å; I723-M954 HydrophobicContact CB-CE 4.46Å; I723-M954 HydrophobicContact CG2-CE 3.86Å; I723-M954 HydrophobicContact CG2-SD 4.07Å
724K96.2Very high96.2Very high2 Ų226.2 Ų26.21%0.00912%0.121CC..Hα-helixtrans-62.7-45.2-178.7-167.3173.667.71600112.6Q493 E656 F720 S721 Y722 R727 M954 E956Q493-K724 PolarHBondContact OE1-O 3.27Å; E656-K724 IonicContact OE1-NZ 2.72Å; F720-K724 HydrophobicContact CZ-CD 4.33Å; F720-K724 PolarHBondContact O-N 3.12Å; S721-K724 PolarHBondContact O-N 2.84Å; Y722-K724 VanDerWaalsContact C-N 3.29Å; Y722-K724 PolarHBondContact O-N 2.89Å; K724-R727 WeakPolarHBondContact O-CB 3.41Å; K724-R727 VanDerWaalsContact O-CG 3.32Å; K724-R727 WeakPolarHBondContact O-CG 3.26Å; K724-R727 PolarHBondContact O-NH1 3.36Å; K724-M954 HydrophobicContact CB-CE 4.05Å; K724-M954 HydrophobicContact CB-SD 4.37Å; K724-M954 HydrophobicContact CG-CE 4.42Å; K724-M954 HydrophobicContact CG-SD 4.48Å; K724-E956 WeakPolarHBondContact CD-OE2 3.3Å; K724-E956 WeakPolarHBondContact CE-OE2 3.47Å; K724-E956 IonicContact NZ-OE2 2.91Å; K724-E956 PolarHBondContact NZ-OE2 3.47Å
725A95.9Very high96.5Very high0 Ų025.7 Ų25.70%012%0.116CC..Hα-helixtrans-64.6-43.9179.600000111.8Q493 L496 M691 S721 Y722Q493-A725 PolarHBondContact NE2-O 3.4Å; L496-A725 HydrophobicContact CD1-CB 4.23Å; M691-A725 HydrophobicContact CE-CB 3.36Å; S721-A725 VanDerWaalsContact O-CB 3.23Å; S721-A725 WeakPolarHBondContact O-CB 3.29Å; S721-A725 PolarHBondContact O-N 3.44Å; Y722-A725 PolarHBondContact O-N 3.19Å
726F96.5Very high96.6Very high0 Ų022.7 Ų22.70%011%0.105CC..THydrogen-bonded Turntrans-98.923.3-178.1-59.7-60.6000114L501 P502 M691 Y722 I723 R728 H729 Y732 I844L501-F726 HydrophobicContact CD2-CE1 4.02Å; P502-F726 HydrophobicContact CG-CZ 4.18Å; M691-F726 HydrophobicContact CE-CD2 4.23Å; M691-F726 HydrophobicContact CE-CE1 4.48Å; M691-F726 HydrophobicContact CE-CE2 3.45Å; M691-F726 VanDerWaalsContact CE-CE2 3.45Å; M691-F726 HydrophobicContact CE-CZ 3.59Å; M691-F726 HydrophobicContact SD-CE2 4.34Å; M691-F726 HydrophobicContact SD-CZ 4.43Å; Y722-F726 HydrophobicContact CD1-CD2 4.04Å; Y722-F726 HydrophobicContact CD2-CD2 4.06Å; Y722-F726 AromaticContact CD2-CE2 3.94Å; Y722-F726 HydrophobicContact CD2-CE2 3.94Å; Y722-F726 AromaticContact CE1-CD2 3.97Å; Y722-F726 HydrophobicContact CE1-CD2 3.97Å; Y722-F726 HydrophobicContact CE2-CD2 4.02Å; Y722-F726 AromaticContact CE2-CE2 3.85Å; Y722-F726 HydrophobicContact CE2-CE2 3.85Å; Y722-F726 HydrophobicContact CG-CD2 4.09Å; Y722-F726 HydrophobicContact CG-CE2 4.4Å; Y722-F726 AromaticContact CZ-CD2 3.98Å; Y722-F726 WeakPolarHBondContact O-CD2 3.47Å; Y722-F726 PolarHBondContact O-N 3.29Å; I723-F726 CarbonylContact O-C 3.59Å; I723-F726 PolarHBondContact O-N 3.16Å; F726-R728 PolarHBondContact O-N 3.23Å; F726-H729 HydrophobicContact CB-CB 4.46Å; F726-H729 PolarHBondContact O-N 3.11Å; F726-Y732 HydrophobicContact CB-CD2 3.89Å; F726-Y732 HydrophobicContact CB-CG 3.82Å; F726-Y732 HydrophobicContact CD1-CD1 4.44Å; F726-Y732 AromaticContact CD1-CD2 3.86Å; F726-Y732 HydrophobicContact CD1-CD2 3.86Å; F726-Y732 AromaticContact CD1-CE2 3.93Å; F726-Y732 HydrophobicContact CD1-CE2 3.93Å; F726-Y732 HydrophobicContact CD1-CG 4.12Å; F726-Y732 HydrophobicContact CD2-CD1 4.03Å; F726-Y732 AromaticContact CD2-CG 4Å; F726-Y732 HydrophobicContact CD2-CG 4Å; F726-Y732 HydrophobicContact CE1-CE1 4.39Å; F726-Y732 HydrophobicContact CE1-CE2 4.29Å; F726-Y732 HydrophobicContact CE2-CD1 4.24Å; F726-Y732 HydrophobicContact CE2-CE1 4.44Å; F726-Y732 HydrophobicContact CG-CD1 4.13Å; F726-Y732 AromaticContact CG-CD2 3.86Å; F726-Y732 HydrophobicContact CG-CD2 3.86Å; F726-Y732 HydrophobicContact CG-CE2 4.37Å; F726-Y732 AromaticContact CG-CG 3.72Å; F726-Y732 HydrophobicContact CG-CG 3.72Å; F726-Y732 HydrophobicContact CZ-CE1 4.36Å; F726-I844 HydrophobicContact CE2-CB 3.98Å; F726-I844 HydrophobicContact CE2-CG2 3.94Å; F726-I844 HydrophobicContact CZ-CB 3.79Å; F726-I844 HydrophobicContact CZ-CD1 4.47Å; F726-I844 HydrophobicContact CZ-CG2 3.59Å
727R95.8Very high96.6Very high19 Ų1920.7 Ų20.77%0.07210%0.097CC..THydrogen-bonded Turntrans-58.3-23-171.765.2172.4175.2-96.613.7115.3Q493 I723 K724 W897 H902 E953 M954Q493-R727 VanDerWaalsContact OE1-NH1 3.1Å; I723-R727 VanDerWaalsContact O-CA 3.25Å; I723-R727 WeakPolarHBondContact O-CA 3.35Å; I723-R727 WeakPolarHBondContact O-CB 3.35Å; I723-R727 PolarHBondContact O-N 3Å; K724-R727 WeakPolarHBondContact O-CB 3.41Å; K724-R727 VanDerWaalsContact O-CG 3.32Å; K724-R727 WeakPolarHBondContact O-CG 3.26Å; K724-R727 PolarHBondContact O-NH1 3.36Å; R727-W897 HydrophobicContact CB-CH2 4Å; R727-W897 HydrophobicContact CB-CZ3 3.79Å; R727-H902 PolarHBondContact O-CE1 2.78Å; R727-H902 PolarHBondContact O-NE2 2.67Å; R727-E953 IonicContact NE-OE2 3.51Å; R727-M954 HydrophobicContact CB-CB 4.4Å; R727-M954 HydrophobicContact CB-SD 3.88Å
728R95.1Very high96.4Very high124 Ų12424.4 Ų24.447%0.46811%0.114SC..THydrogen-bonded Turntrans-98.61.8178.4-69.9-157.2178.1179.4-4.6114.5N497 F726 P730 E953N497-R728 HydrophobicContact CB-CG 4.4Å; F726-R728 PolarHBondContact O-N 3.23Å; R728-P730 WeakPolarHBondContact O-CD 3.41Å; R728-E953 IonicContact CZ-OE1 4Å; R728-E953 IonicContact NH2-OE1 2.82Å; R728-E953 PolarHBondContact NH2-OE1 2.71Å; R728-E953 IonicContact NH2-OE2 3.13Å
729H95.1Very high96.3Very high22 Ų2227.7 Ų27.710%0.10213%0.13CC..  trans-116.499.1-171-61.3-57.4000111.3L496 N497 F726 E731 Y732L496-H729 PolarHBondContact O-CE1 3.25Å; L496-H729 PolarHBondContact O-NE2 3.43Å; N497-H729 PolarHBondContact O-CE1 3.46Å; F726-H729 HydrophobicContact CB-CB 4.46Å; F726-H729 PolarHBondContact O-N 3.11Å; H729-E731 VanDerWaalsContact C-OE2 3.27Å; H729-E731 PolarHBondContact O-N 2.99Å; H729-E731 VanDerWaalsContact O-N 3.13Å; H729-Y732 HydrophobicContact CB-CD2 3.46Å; H729-Y732 VanDerWaalsContact CB-CD2 3.46Å; H729-Y732 HydrophobicContact CB-CE2 3.92Å; H729-Y732 PolarHBondContact O-N 3.22Å; H729-Y732 VanDerWaalsContact O-N 3.11Å
730P94.9Very high96.2Very high75 Ų7527.7 Ų27.749%0.48713%0.13SC..G310 helixtrans-59.6-23-174.8-2029.2000114.7R728 Y732 L733 H902R728-P730 WeakPolarHBondContact O-CD 3.41Å; P730-Y732 PolarHBondContact O-N 3.32Å; P730-L733 VanDerWaalsContact O-CB 3.3Å; P730-L733 WeakPolarHBondContact O-CB 3.32Å; P730-L733 PolarHBondContact O-N 3.03Å; P730-H902 HydrophobicContact CB-CB 4.44Å
731E94.7Very high96.1Very high113 Ų11329.7 Ų29.753%0.52814%0.142SC..G310 helixtrans-70.5-14.7178.369.6-83.8-160.200113.8H729 T846H729-E731 VanDerWaalsContact C-OE2 3.27Å; H729-E731 PolarHBondContact O-N 2.99Å; H729-E731 VanDerWaalsContact O-N 3.13Å; E731-T846 PolarHBondContact O-OG1 3.3Å
732Y96Very high95.9Very high25 Ų2530.6 Ų30.610%0.09815%0.146CC..G310 helixtrans-100.425.2174.8-57.8-83.9000112.6L501 Y722 F726 H729 P730 L734 I844 Q898L501-Y732 HydrophobicContact CD2-CE2 4.36Å; L501-Y732 VanDerWaalsContact CD2-OH 3.28Å; L501-Y732 WeakPolarHBondContact CD2-OH 3.47Å; Y722-Y732 AromaticContact CZ-CD1 3.97Å; Y722-Y732 WeakPolarHBondContact OH-CD1 3.47Å; F726-Y732 HydrophobicContact CB-CD2 3.89Å; F726-Y732 HydrophobicContact CB-CG 3.82Å; F726-Y732 HydrophobicContact CD1-CD1 4.44Å; F726-Y732 AromaticContact CD1-CD2 3.86Å; F726-Y732 HydrophobicContact CD1-CD2 3.86Å; F726-Y732 AromaticContact CD1-CE2 3.93Å; F726-Y732 HydrophobicContact CD1-CE2 3.93Å; F726-Y732 HydrophobicContact CD1-CG 4.12Å; F726-Y732 HydrophobicContact CD2-CD1 4.03Å; F726-Y732 AromaticContact CD2-CG 4Å; F726-Y732 HydrophobicContact CD2-CG 4Å; F726-Y732 HydrophobicContact CE1-CE1 4.39Å; F726-Y732 HydrophobicContact CE1-CE2 4.29Å; F726-Y732 HydrophobicContact CE2-CD1 4.24Å; F726-Y732 HydrophobicContact CE2-CE1 4.44Å; F726-Y732 HydrophobicContact CG-CD1 4.13Å; F726-Y732 AromaticContact CG-CD2 3.86Å; F726-Y732 HydrophobicContact CG-CD2 3.86Å; F726-Y732 HydrophobicContact CG-CE2 4.37Å; F726-Y732 AromaticContact CG-CG 3.72Å; F726-Y732 HydrophobicContact CG-CG 3.72Å; F726-Y732 HydrophobicContact CZ-CE1 4.36Å; H729-Y732 HydrophobicContact CB-CD2 3.46Å; H729-Y732 VanDerWaalsContact CB-CD2 3.46Å; H729-Y732 HydrophobicContact CB-CE2 3.92Å; H729-Y732 PolarHBondContact O-N 3.22Å; H729-Y732 VanDerWaalsContact O-N 3.11Å; P730-Y732 PolarHBondContact O-N 3.32Å; Y732-L734 PolarHBondContact O-N 3.03Å; Y732-I844 HydrophobicContact CE1-CB 4.39Å; Y732-I844 HydrophobicContact CE1-CD1 4.35Å; Y732-I844 WeakPolarHBondContact CE1-O 3.36Å; Y732-Q898 PolarHBondContact O-NE2 3.38Å
733L96.3Very high95.8Very high29 Ų2934.3 Ų34.315%0.15217%0.169CC..  trans-67.1120.9176.9-170.668.1000111.7P730 T846 Q898 H902P730-L733 VanDerWaalsContact O-CB 3.3Å; P730-L733 WeakPolarHBondContact O-CB 3.32Å; P730-L733 PolarHBondContact O-N 3.03Å; L733-T846 WeakPolarHBondContact O-CG2 3.4Å; L733-Q898 HydrophobicContact CD1-CG 3.7Å; L733-H902 HydrophobicContact CD1-CB 4.09Å
734L97.5Very high95.7Very high0 Ų035.2 Ų35.20%018%0.175CC..  trans-84.6151.3-177.2-65.3-172.8000113.2I719 Y722 I723 Y732 P847 Q898 W899I719-L734 HydrophobicContact CG2-CD1 3.33Å; Y722-L734 HydrophobicContact CD1-CD1 3.92Å; Y722-L734 HydrophobicContact CD1-CD2 3.96Å; Y722-L734 HydrophobicContact CD1-CG 4.06Å; Y722-L734 HydrophobicContact CE1-CD1 4.34Å; Y722-L734 HydrophobicContact CE1-CD2 3.54Å; Y722-L734 HydrophobicContact CE1-CG 4Å; I723-L734 HydrophobicContact CD1-CD1 4.01Å; I723-L734 HydrophobicContact CG1-CD1 3.62Å; I723-L734 HydrophobicContact CG1-CG 4.24Å; Y732-L734 PolarHBondContact O-N 3.03Å; L734-P847 HydrophobicContact CD2-CG 3.83Å; L734-Q898 VanDerWaalsContact N-OE1 3.1Å; L734-W899 PolarHBondContact O-NE1 3.31Å
735P97.5Very high95.6Very high1 Ų139.6 Ų39.61%0.00620%0.203CC..  trans-74.4-175166.235.1-36.2000110.9R737 V740 P847 G849 S850 Q895P735-R737 PolarHBondContact O-N 3.4Å; P735-V740 HydrophobicContact CG-CG2 3.81Å; P735-P847 HydrophobicContact CG-CG 4.27Å; P735-G849 VanDerWaalsContact CB-C 3.49Å; P735-S850 WeakPolarHBondContact CA-O 3.47Å; P735-S850 VanDerWaalsContact CB-O 3.28Å; P735-S850 WeakPolarHBondContact CB-O 3.24Å; P735-Q895 PolarHBondContact O-NE2 3.37Å
736D98Very high95.7Very high5 Ų539.6 Ų39.63%0.02720%0.203CC..  trans-50.7133.7173.8-65.6-24.8000110.9E738 Q739 S850 R851 T852 W899D736-E738 PolarHBondContact O-N 2.88Å; D736-Q739 HydrophobicContact CB-CG 4.33Å; D736-Q739 WeakPolarHBondContact O-CB 3.4Å; D736-Q739 PolarHBondContact O-N 3.43Å; D736-Q739 PolarHBondContact OD2-NE2 3.21Å; D736-S850 PolarHBondContact N-O 3.32Å; D736-R851 VanDerWaalsContact OD1-CA 3.29Å; D736-R851 WeakPolarHBondContact OD1-CA 3.49Å; D736-T852 PolarHBondContact OD1-N 2.95Å; D736-T852 WeakPolarHBondContact OD2-CB 3.21Å; D736-T852 WeakPolarHBondContact OD2-CG2 3.48Å; D736-T852 PolarHBondContact OD2-N 3.15Å; D736-T852 VanDerWaalsContact OD2-N 3.11Å; D736-T852 PolarHBondContact OD2-OG1 3.3Å; D736-W899 VanDerWaalsContact OD1-CH2 3.25Å; D736-W899 WeakPolarHBondContact OD1-CH2 3.27Å
737R96.2Very high95.7Very high8 Ų839.6 Ų39.63%0.0320%0.203CC..THydrogen-bonded Turntrans-57.1-29.2-174.962.4176.1178.788.6-1.5113.7R715 W716 P735 Q739 V740 N859 I891 S892 Q895R715-R737 PolarHBondContact NH2-O 2.97Å; R715-R737 VanDerWaalsContact NH2-O 3.09Å; W716-R737 HydrophobicContact CH2-CB 4.38Å; W716-R737 HydrophobicContact CH2-CG 4.36Å; W716-R737 HydrophobicContact CZ3-CB 3.87Å; W716-R737 HydrophobicContact CZ3-CG 4.27Å; W716-R737 WeakPolarHBondContact CZ3-O 3.4Å; P735-R737 PolarHBondContact O-N 3.4Å; R737-Q739 VanDerWaalsContact C-N 3.25Å; R737-Q739 PolarHBondContact O-N 2.96Å; R737-V740 PolarHBondContact O-N 3.46Å; R737-V740 VanDerWaalsContact O-N 3.16Å; R737-N859 WeakPolarHBondContact CD-OD1 3.49Å; R737-N859 PolarHBondContact NE-OD1 3.45Å; R737-I891 HydrophobicContact CB-CG1 3.88Å; R737-S892 PolarHBondContact NE-OG 2.96Å; R737-Q895 VanDerWaalsContact N-OE1 3.12Å
738E92.8Very high95.7Very high86 Ų8641.5 Ų41.540%0.40221%0.211SC..THydrogen-bonded Turntrans-62.5-33.9177.3-65.3177.4171.900111.8R715 D736R715-E738 PolarHBondContact NH2-O 2.69Å; D736-E738 PolarHBondContact O-N 2.88Å
739Q96Very high95.8Very high68 Ų6836 Ų3632%0.31819%0.192SC..THydrogen-bonded Turntrans-78.6-19.3177.6-59178.846.300112.8D736 R737 T741 G849 S850D736-Q739 HydrophobicContact CB-CG 4.33Å; D736-Q739 WeakPolarHBondContact O-CB 3.4Å; D736-Q739 PolarHBondContact O-N 3.43Å; D736-Q739 PolarHBondContact OD2-NE2 3.21Å; R737-Q739 VanDerWaalsContact C-N 3.25Å; R737-Q739 PolarHBondContact O-N 2.96Å; Q739-T741 VanDerWaalsContact C-N 3.26Å; Q739-T741 PolarHBondContact O-N 3.26Å; Q739-G849 VanDerWaalsContact OE1-CA 3.3Å; Q739-S850 PolarHBondContact NE2-O 3.17Å; Q739-S850 VanDerWaalsContact NE2-O 3.07Å; Q739-S850 PolarHBondContact NE2-OG 2.84Å
740V96.5Very high95.9Very high0 Ų035 Ų350%019%0.187CC..  trans-84.170.5176.3-167.70000109.5R715 I719 P735 R737 V744 F746 M747 P847R715-V740 VanDerWaalsContact CZ-O 3.28Å; R715-V740 PolarHBondContact NE-O 3.15Å; R715-V740 VanDerWaalsContact NH2-C 3.3Å; R715-V740 PolarHBondContact NH2-O 2.8Å; I719-V740 HydrophobicContact CD1-CB 3.91Å; I719-V740 HydrophobicContact CD1-CG1 3.51Å; I719-V740 WeakPolarHBondContact CD1-O 3.42Å; I719-V740 HydrophobicContact CG1-CG1 3.9Å; I719-V740 HydrophobicContact CG2-CG1 4.15Å; P735-V740 HydrophobicContact CG-CG2 3.81Å; R737-V740 PolarHBondContact O-N 3.46Å; R737-V740 VanDerWaalsContact O-N 3.16Å; V740-V744 HydrophobicContact CG1-CG2 4.16Å; V740-F746 HydrophobicContact CG1-CE1 3.79Å; V740-F746 HydrophobicContact CG1-CZ 3.88Å; V740-M747 HydrophobicContact CG1-CG 4.44Å; V740-P847 HydrophobicContact CG1-CG 4.27Å; V740-P847 HydrophobicContact CG2-CG 4.16Å
741T94Very high96.1Very high45 Ų4531.7 Ų31.728%0.27617%0.166SC..  trans-81.3173.8-178.767.20000112.3Q739 T743 V744Q739-T741 VanDerWaalsContact C-N 3.26Å; Q739-T741 PolarHBondContact O-N 3.26Å; T741-T743 PolarHBondContact O-N 2.91Å; T741-T743 VanDerWaalsContact O-N 3.11Å; T741-T743 PolarHBondContact OG1-N 3.41Å; T741-T743 PolarHBondContact OG1-OG1 3.09Å; T741-V744 WeakPolarHBondContact O-CG2 3.44Å; T741-V744 PolarHBondContact O-N 3.4Å
742M94.6Very high96.2Very high20 Ų2029.1 Ų29.110%0.09915%0.153CC..THydrogen-bonded Turntrans-68.1-4.5173.7-63.9-55.5-65.200114R715 M747 Y750 A751R715-M742 HydrophobicContact CB-SD 4.08Å; R715-M742 HydrophobicContact CG-SD 4.23Å; M742-M747 HydrophobicContact CE-CE 4Å; M742-M747 HydrophobicContact SD-CE 3.41Å; M742-M747 WeakPolarHBondContact SD-CE 3.44Å; M742-Y750 HydrophobicContact CE-CD1 4.38Å; M742-Y750 HydrophobicContact CE-CE1 4.27Å; M742-A751 HydrophobicContact CE-CB 4.02Å
743T94.1Very high96.3Very high78 Ų7829 Ų2948%0.47915%0.152SC..THydrogen-bonded Turntrans-98.2-13.318057.20000113.7T741T741-T743 PolarHBondContact O-N 2.91Å; T741-T743 VanDerWaalsContact O-N 3.11Å; T741-T743 PolarHBondContact OG1-N 3.41Å; T741-T743 PolarHBondContact OG1-OG1 3.09Å
744V95.6Very high96.4Very high19 Ų1927.6 Ų27.612%0.11515%0.145CC..SBendtrans-64.4150.4174.5-520000110.4V740 T741 F746 M747 R748 P847V740-V744 HydrophobicContact CG1-CG2 4.16Å; T741-V744 WeakPolarHBondContact O-CG2 3.44Å; T741-V744 PolarHBondContact O-N 3.4Å; V744-F746 HydrophobicContact CG2-CD1 3.72Å; V744-F746 HydrophobicContact CG2-CE1 3.57Å; V744-F746 PolarHBondContact O-N 2.96Å; V744-M747 HydrophobicContact CG2-CB 3.91Å; V744-M747 HydrophobicContact CG2-CG 3.62Å; V744-M747 PolarHBondContact O-N 2.7Å; V744-R748 WeakPolarHBondContact O-CB 3.2Å; V744-R748 PolarHBondContact O-N 2.74Å; V744-P847 HydrophobicContact CB-CB 4.01Å; V744-P847 HydrophobicContact CG1-CB 4.27Å; V744-P847 HydrophobicContact CG2-CB 4.08Å
745P95.2Very high96.4Very high94 Ų9427.6 Ų27.661%0.6115%0.145SC*.Hα-helixtrans-52-48.5-165.1-31.236.7000115.4R748 A749P745-R748 WeakPolarHBondContact O-CB 3.22Å; P745-R748 PolarHBondContact O-N 2.54Å; P745-A749 WeakPolarHBondContact O-CB 3.27Å; P745-A749 PolarHBondContact O-N 2.95Å
746F96.8Very high96.4Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-71.5-38.2-176.285.4-77000113.4Y718 I719 Y722 V740 V744 R748 A749 Y750 D842 F843 A845 P847Y718-F746 HydrophobicContact CD1-CE2 4.1Å; Y718-F746 HydrophobicContact CE1-CD2 4.03Å; Y718-F746 AromaticContact CE1-CE2 3.78Å; Y718-F746 HydrophobicContact CE1-CE2 3.78Å; I719-F746 HydrophobicContact CG1-CZ 4.34Å; Y722-F746 HydrophobicContact CD2-CD2 4.19Å; Y722-F746 AromaticContact CD2-CE2 3.84Å; Y722-F746 HydrophobicContact CD2-CE2 3.84Å; Y722-F746 HydrophobicContact CD2-CZ 4.46Å; Y722-F746 HydrophobicContact CE2-CD2 4.24Å; Y722-F746 HydrophobicContact CE2-CE2 4.19Å; Y722-F746 HydrophobicContact CG-CE2 4.48Å; V740-F746 HydrophobicContact CG1-CE1 3.79Å; V740-F746 HydrophobicContact CG1-CZ 3.88Å; V744-F746 HydrophobicContact CG2-CD1 3.72Å; V744-F746 HydrophobicContact CG2-CE1 3.57Å; V744-F746 PolarHBondContact O-N 2.96Å; F746-R748 VanDerWaalsContact C-N 3.32Å; F746-A749 PolarHBondContact O-N 3.26Å; F746-Y750 VanDerWaalsContact O-CB 3.31Å; F746-Y750 WeakPolarHBondContact O-CB 3.08Å; F746-Y750 PolarHBondContact O-N 3.24Å; F746-D842 WeakPolarHBondContact CA-O 3.37Å; F746-D842 VanDerWaalsContact CB-O 3.3Å; F746-D842 WeakPolarHBondContact CB-O 3.36Å; F746-F843 WeakPolarHBondContact CD2-O 3.29Å; F746-A845 HydrophobicContact CB-CB 4.32Å; F746-A845 WeakPolarHBondContact CD1-O 3.36Å; F746-P847 HydrophobicContact CD1-CG 4.43Å; F746-P847 HydrophobicContact CE1-CB 4.32Å; F746-P847 HydrophobicContact CE1-CG 3.9Å
747M97.3Very high96.4Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-66.1-38.5173.8-64.6-58.9-67.100111R715 Y718 I719 V740 M742 V744 Y750 A751R715-M747 HydrophobicContact CG-CE 4.46Å; Y718-M747 HydrophobicContact CD1-CE 4Å; Y718-M747 HydrophobicContact CD1-SD 3.5Å; Y718-M747 WeakPolarHBondContact CD1-SD 3.25Å; Y718-M747 HydrophobicContact CE1-SD 3.94Å; Y718-M747 HydrophobicContact CG-CE 4.42Å; Y718-M747 HydrophobicContact CG-SD 4.45Å; I719-M747 HydrophobicContact CD1-CE 4.34Å; I719-M747 HydrophobicContact CD1-SD 4.36Å; I719-M747 HydrophobicContact CG1-CE 4.15Å; I719-M747 HydrophobicContact CG1-SD 3.82Å; V740-M747 HydrophobicContact CG1-CG 4.44Å; M742-M747 HydrophobicContact CE-CE 4Å; M742-M747 HydrophobicContact SD-CE 3.41Å; M742-M747 WeakPolarHBondContact SD-CE 3.44Å; V744-M747 HydrophobicContact CG2-CB 3.91Å; V744-M747 HydrophobicContact CG2-CG 3.62Å; V744-M747 PolarHBondContact O-N 2.7Å; M747-Y750 HydrophobicContact CE-CD1 4.23Å; M747-Y750 HydrophobicContact CE-CE1 4.36Å; M747-Y750 PolarHBondContact O-N 3.26Å; M747-A751 WeakPolarHBondContact O-CB 3.41Å; M747-A751 PolarHBondContact O-N 2.73Å
748R95.9Very high96.5Very high60 Ų6029 Ų2923%0.22615%0.151CC..Hα-helixtrans-63.4-44.7175.9-166.479.6179.5102.4-8.8111.3V744 P745 F746 K752 D799V744-R748 WeakPolarHBondContact O-CB 3.2Å; V744-R748 PolarHBondContact O-N 2.74Å; P745-R748 WeakPolarHBondContact O-CB 3.22Å; P745-R748 PolarHBondContact O-N 2.54Å; F746-R748 VanDerWaalsContact C-N 3.32Å; R748-K752 VanDerWaalsContact CZ-CE 3.41Å; R748-K752 PolarHBondContact O-N 3.12Å; R748-K752 VanDerWaalsContact O-N 3.12Å; R748-D799 IonicContact CZ-OD1 3.4Å; R748-D799 IonicContact CZ-OD2 3.99Å; R748-D799 IonicContact NH1-OD1 3.77Å; R748-D799 PolarHBondContact NH1-OD1 3.5Å; R748-D799 IonicContact NH1-OD2 3.69Å; R748-D799 PolarHBondContact NH1-OD2 3.44Å; R748-D799 IonicContact NH2-OD1 3.48Å; R748-D799 PolarHBondContact NH2-OD1 3.26Å; R748-D799 IonicContact NH2-OD2 3.89Å; R748-D799 PolarHBondContact NH2-OD2 2.79Å
749A97.1Very high96.8Very high9 Ų925.2 Ų25.27%0.07413%0.134CC..Hα-helixtrans-63.4-47.9178.600000110.8P745 F746 Y753 F836 D842 F843P745-A749 WeakPolarHBondContact O-CB 3.27Å; P745-A749 PolarHBondContact O-N 2.95Å; F746-A749 PolarHBondContact O-N 3.26Å; A749-Y753 VanDerWaalsContact O-CB 3.22Å; A749-Y753 WeakPolarHBondContact O-CB 3.31Å; A749-Y753 PolarHBondContact O-N 2.95Å; A749-F836 HydrophobicContact CB-CZ 4.32Å; A749-D842 HydrophobicContact CB-CB 4.2Å; A749-F843 HydrophobicContact CB-CD1 4.02Å; A749-F843 HydrophobicContact CB-CE1 4.07Å
750Y97.5Very high96.8Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-53.1-55.7173.9154.4-115.9000112.2V688 T694 C713 G714 Y718 M742 F746 M747 K752 Y753 V754V688-Y750 HydrophobicContact CB-CE2 3.98Å; V688-Y750 HydrophobicContact CG1-CE2 3.76Å; V688-Y750 WeakPolarHBondContact O-CE2 3.19Å; V688-Y750 VanDerWaalsContact O-CZ 3.24Å; V688-Y750 PolarHBondContact O-OH 3.36Å; T694-Y750 HydrophobicContact CG2-CD2 4.34Å; C713-Y750 WeakPolarHBondContact CA-OH 3.37Å; C713-Y750 HydrophobicContact CB-CE1 4.11Å; G714-Y750 PolarHBondContact N-OH 2.7Å; Y718-Y750 HydrophobicContact CD1-CD1 4.49Å; Y718-Y750 HydrophobicContact CD2-CD1 4.38Å; Y718-Y750 HydrophobicContact CD2-CD2 4.26Å; Y718-Y750 HydrophobicContact CD2-CE1 4.04Å; Y718-Y750 AromaticContact CD2-CE2 3.89Å; Y718-Y750 HydrophobicContact CD2-CE2 3.89Å; Y718-Y750 HydrophobicContact CD2-CG 4.46Å; Y718-Y750 AromaticContact CD2-CZ 3.74Å; Y718-Y750 HydrophobicContact CE1-CD1 4.36Å; Y718-Y750 HydrophobicContact CE1-CG 4.27Å; Y718-Y750 HydrophobicContact CE2-CD1 4.25Å; Y718-Y750 AromaticContact CE2-CD2 3.57Å; Y718-Y750 HydrophobicContact CE2-CD2 3.57Å; Y718-Y750 HydrophobicContact CE2-CE1 4.26Å; Y718-Y750 AromaticContact CE2-CE2 3.58Å; Y718-Y750 HydrophobicContact CE2-CE2 3.58Å; Y718-Y750 AromaticContact CE2-CG 3.89Å; Y718-Y750 HydrophobicContact CE2-CG 3.89Å; Y718-Y750 AromaticContact CE2-CZ 3.91Å; Y718-Y750 HydrophobicContact CG-CD1 4.49Å; Y718-Y750 HydrophobicContact CG-CE1 4.23Å; Y718-Y750 AromaticContact CZ-CD2 3.85Å; Y718-Y750 AromaticContact CZ-CG 3.79Å; M742-Y750 HydrophobicContact CE-CD1 4.38Å; M742-Y750 HydrophobicContact CE-CE1 4.27Å; F746-Y750 VanDerWaalsContact O-CB 3.31Å; F746-Y750 WeakPolarHBondContact O-CB 3.08Å; F746-Y750 PolarHBondContact O-N 3.24Å; M747-Y750 HydrophobicContact CE-CD1 4.23Å; M747-Y750 HydrophobicContact CE-CE1 4.36Å; M747-Y750 PolarHBondContact O-N 3.26Å; Y750-K752 PolarHBondContact O-N 2.96Å; Y750-Y753 PolarHBondContact O-N 3.34Å; Y750-Y753 VanDerWaalsContact O-N 3.09Å; Y750-V754 HydrophobicContact CD2-CG2 3.88Å; Y750-V754 HydrophobicContact CE2-CG2 3.58Å; Y750-V754 WeakPolarHBondContact O-CG2 3.34Å; Y750-V754 PolarHBondContact O-N 2.88Å
751A97.4Very high96.9Very high5 Ų525.8 Ų25.84%0.04114%0.135CC..Hα-helixtrans-61.5-45.1-176.200000112.4M742 M747 Y753 V754 I755M742-A751 HydrophobicContact CE-CB 4.02Å; M747-A751 WeakPolarHBondContact O-CB 3.41Å; M747-A751 PolarHBondContact O-N 2.73Å; A751-Y753 VanDerWaalsContact C-N 3.29Å; A751-Y753 PolarHBondContact O-N 2.96Å; A751-V754 PolarHBondContact O-N 3.09Å; A751-I755 WeakPolarHBondContact O-CG1 3.22Å; A751-I755 PolarHBondContact O-N 2.99Å; A751-I755 VanDerWaalsContact O-N 3.15Å
752K97.6Very high97.1Very high60 Ų6025.1 Ų25.126%0.26114%0.137SC..Hα-helixtrans-65.6-32.9176.2-74.8-169.1171.9-171.30112.6R748 Y750 I755 K756 D799 L833 F836R748-K752 VanDerWaalsContact CZ-CE 3.41Å; R748-K752 PolarHBondContact O-N 3.12Å; R748-K752 VanDerWaalsContact O-N 3.12Å; Y750-K752 PolarHBondContact O-N 2.96Å; K752-I755 PolarHBondContact O-N 3.14Å; K752-K756 WeakPolarHBondContact O-CB 3.45Å; K752-K756 PolarHBondContact O-N 3.21Å; K752-D799 WeakPolarHBondContact CE-OD1 3.41Å; K752-L833 HydrophobicContact CB-CD1 4.3Å; K752-F836 HydrophobicContact CB-CD1 3.63Å; K752-F836 HydrophobicContact CB-CD2 4.48Å; K752-F836 HydrophobicContact CB-CE1 3.35Å; K752-F836 HydrophobicContact CB-CE2 4.25Å; K752-F836 HydrophobicContact CB-CG 4.21Å; K752-F836 HydrophobicContact CB-CZ 3.72Å; K752-F836 HydrophobicContact CD-CD2 4.15Å; K752-F836 HydrophobicContact CD-CE2 4.17Å; K752-F836 HydrophobicContact CD-CG 4.41Å; K752-F836 HydrophobicContact CD-CZ 4.44Å
753Y97.8Very high97.2Very high21 Ų2124.1 Ų24.18%0.08213%0.132CC..Hα-helixtrans-70.1-42.3178.5-170.2-120000111.4F504 T694 I697 A749 Y750 A751 I755 K756 I757 P838 F843F504-Y753 AromaticContact CE1-CE1 3.84Å; F504-Y753 HydrophobicContact CE1-CE1 3.84Å; F504-Y753 AromaticContact CE1-CZ 3.72Å; F504-Y753 VanDerWaalsContact CE1-OH 3.24Å; F504-Y753 WeakPolarHBondContact CE1-OH 3.38Å; F504-Y753 HydrophobicContact CZ-CE1 4.15Å; F504-Y753 AromaticContact CZ-CZ 3.87Å; T694-Y753 HydrophobicContact CG2-CD1 4.11Å; T694-Y753 WeakPolarHBondContact O-CE1 3.35Å; I697-Y753 HydrophobicContact CD1-CD1 3.92Å; I697-Y753 HydrophobicContact CD1-CE1 4.26Å; A749-Y753 VanDerWaalsContact O-CB 3.22Å; A749-Y753 WeakPolarHBondContact O-CB 3.31Å; A749-Y753 PolarHBondContact O-N 2.95Å; Y750-Y753 PolarHBondContact O-N 3.34Å; Y750-Y753 VanDerWaalsContact O-N 3.09Å; A751-Y753 VanDerWaalsContact C-N 3.29Å; A751-Y753 PolarHBondContact O-N 2.96Å; Y753-I755 PolarHBondContact O-N 2.95Å; Y753-K756 PolarHBondContact O-N 2.96Å; Y753-I757 HydrophobicContact CD1-CG1 4.4Å; Y753-I757 HydrophobicContact CD2-CG1 4.06Å; Y753-I757 HydrophobicContact CE1-CG1 4.05Å; Y753-I757 HydrophobicContact CE2-CD1 3.78Å; Y753-I757 HydrophobicContact CE2-CG1 3.68Å; Y753-I757 HydrophobicContact CG-CG1 4.39Å; Y753-I757 WeakPolarHBondContact O-CG1 3.42Å; Y753-I757 PolarHBondContact O-N 3.35Å; Y753-P838 HydrophobicContact CD2-CG 3.62Å; Y753-P838 HydrophobicContact CE2-CG 4.25Å; Y753-P838 HydrophobicContact CG-CG 4.16Å; Y753-F843 HydrophobicContact CD1-CE1 4.07Å; Y753-F843 HydrophobicContact CD1-CE2 4.5Å; Y753-F843 AromaticContact CD1-CZ 3.65Å; Y753-F843 HydrophobicContact CD1-CZ 3.65Å; Y753-F843 HydrophobicContact CD2-CZ 4.12Å; Y753-F843 HydrophobicContact CE1-CZ 4.24Å; Y753-F843 AromaticContact CG-CE1 3.95Å; Y753-F843 HydrophobicContact CG-CE1 3.95Å; Y753-F843 AromaticContact CG-CZ 3.6Å; Y753-F843 HydrophobicContact CG-CZ 3.6Å
754V98.2Very high97.4Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-55.8-50.3171.8176.80000110.3V688 I697 L711 Y750 A751 K756 I757 C758 A765V688-V754 HydrophobicContact CB-CG2 4.4Å; V688-V754 HydrophobicContact CG2-CG2 4.43Å; I697-V754 HydrophobicContact CD1-CG2 3.68Å; L711-V754 HydrophobicContact CB-CG1 3.85Å; L711-V754 HydrophobicContact CD1-CG1 4.38Å; Y750-V754 HydrophobicContact CD2-CG2 3.88Å; Y750-V754 HydrophobicContact CE2-CG2 3.58Å; Y750-V754 WeakPolarHBondContact O-CG2 3.34Å; Y750-V754 PolarHBondContact O-N 2.88Å; A751-V754 PolarHBondContact O-N 3.09Å; V754-K756 PolarHBondContact O-N 3.45Å; V754-I757 PolarHBondContact O-N 3.16Å; V754-C758 VanDerWaalsContact O-CB 3.24Å; V754-C758 WeakPolarHBondContact O-CB 3.37Å; V754-C758 PolarHBondContact O-N 3.28Å; V754-C758 PolarHBondContact O-SG 3.19Å; V754-A765 HydrophobicContact CG1-CB 4.3Å
755I98.4Very high97.6Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-56.3-52.1177.7-64.9165000111A751 K752 Y753 I757 C758 H759 A765 D799 L833A751-I755 WeakPolarHBondContact O-CG1 3.22Å; A751-I755 PolarHBondContact O-N 2.99Å; A751-I755 VanDerWaalsContact O-N 3.15Å; K752-I755 PolarHBondContact O-N 3.14Å; Y753-I755 PolarHBondContact O-N 2.95Å; I755-I757 VanDerWaalsContact C-N 3.31Å; I755-I757 PolarHBondContact O-N 2.96Å; I755-C758 PolarHBondContact O-N 3.37Å; I755-H759 WeakPolarHBondContact O-CB 3.26Å; I755-H759 VanDerWaalsContact O-CG 3.28Å; I755-H759 PolarHBondContact O-N 3.33Å; I755-A765 HydrophobicContact CB-CB 4.27Å; I755-A765 HydrophobicContact CG1-CB 3.84Å; I755-D799 HydrophobicContact CD1-CB 3.68Å; I755-L833 HydrophobicContact CB-CD1 3.97Å; I755-L833 HydrophobicContact CG2-CD1 3.69Å; I755-L833 HydrophobicContact CG2-CG 4.2Å
756K97.9Very high97.8Very high39 Ų3915.2 Ų15.217%0.178%0.075CC..Hα-helixtrans-53.6-50.1-179.3176.9171.3179.3146.10111.4K752 Y753 V754 K760 L833 A834 F836K752-K756 WeakPolarHBondContact O-CB 3.45Å; K752-K756 PolarHBondContact O-N 3.21Å; Y753-K756 PolarHBondContact O-N 2.96Å; V754-K756 PolarHBondContact O-N 3.45Å; K756-K760 VanDerWaalsContact O-CB 3.27Å; K756-K760 WeakPolarHBondContact O-CB 3.43Å; K756-K760 PolarHBondContact O-N 2.93Å; K756-L833 HydrophobicContact CB-CB 4.08Å; K756-L833 WeakPolarHBondContact CD-O 3.39Å; K756-L833 HydrophobicContact CG-CB 4.39Å; K756-L833 PolarHBondContact NZ-O 3.06Å; K756-A834 PolarHBondContact NZ-O 3.04Å; K756-F836 HydrophobicContact CD-CD1 4.46Å; K756-F836 WeakPolarHBondContact CD-O 3.2Å; K756-F836 WeakPolarHBondContact CE-O 3.32Å; K756-F836 PolarHBondContact NZ-O 3.02Å
757I97.7Very high97.8Very high5 Ų515.2 Ų15.23%0.0268%0.075CC..Hα-helixtrans-73.2-45.1-174.3-63.4-58.4000111.2I697 E698 L701 Y753 V754 I755 H759 K760 R761I697-I757 HydrophobicContact CG2-CB 4.03Å; I697-I757 HydrophobicContact CG2-CG2 3.62Å; E698-I757 HydrophobicContact CB-CG2 4.22Å; E698-I757 HydrophobicContact CG-CD1 4.41Å; E698-I757 HydrophobicContact CG-CG2 3.67Å; L701-I757 HydrophobicContact CD1-CG2 3.83Å; Y753-I757 HydrophobicContact CD1-CG1 4.4Å; Y753-I757 HydrophobicContact CD2-CG1 4.06Å; Y753-I757 HydrophobicContact CE1-CG1 4.05Å; Y753-I757 HydrophobicContact CE2-CD1 3.78Å; Y753-I757 HydrophobicContact CE2-CG1 3.68Å; Y753-I757 HydrophobicContact CG-CG1 4.39Å; Y753-I757 WeakPolarHBondContact O-CG1 3.42Å; Y753-I757 PolarHBondContact O-N 3.35Å; V754-I757 PolarHBondContact O-N 3.16Å; I755-I757 VanDerWaalsContact C-N 3.31Å; I755-I757 PolarHBondContact O-N 2.96Å; I757-H759 PolarHBondContact O-N 3.13Å; I757-K760 PolarHBondContact O-N 3.02Å; I757-R761 HydrophobicContact CG2-CG 4.37Å; I757-R761 WeakPolarHBondContact O-CB 3.35Å; I757-R761 VanDerWaalsContact O-CG 3.29Å; I757-R761 WeakPolarHBondContact O-CG 3.49Å; I757-R761 PolarHBondContact O-N 3.14Å
758C98.4Very high97.5Very high0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-53.5-52.7174.9-83.40000111.6L711 V754 I755 K760 R761 G762 A763 H764 A765L711-C758 VanDerWaalsContact CB-SG 3.58Å; L711-C758 VanDerWaalsContact CD1-SG 3.56Å; L711-C758 VanDerWaalsContact CG-SG 3.57Å; V754-C758 VanDerWaalsContact O-CB 3.24Å; V754-C758 WeakPolarHBondContact O-CB 3.37Å; V754-C758 PolarHBondContact O-N 3.28Å; V754-C758 PolarHBondContact O-SG 3.19Å; I755-C758 PolarHBondContact O-N 3.37Å; C758-K760 PolarHBondContact O-N 3.38Å; C758-R761 CarbonylContact O-C 3.47Å; C758-R761 PolarHBondContact O-N 3.1Å; C758-G762 PolarHBondContact O-N 3.47Å; C758-A763 CarbonylContact C-O 3.51Å; C758-A763 HydrophobicContact CB-CB 4.34Å; C758-A763 VanDerWaalsContact CB-O 3.27Å; C758-A763 WeakPolarHBondContact CB-O 3.46Å; C758-A763 PolarHBondContact O-N 2.86Å; C758-A763 VanDerWaalsContact O-O 3.08Å; C758-H764 PolarHBondContact SG-O 3.09Å; C758-A765 HydrophobicContact CB-CB 3.86Å
759H98.2Very high97.4Very high6 Ų616 Ų163%0.0288%0.084CC..Hα-helixtrans-66.4-37.1-178.2-67.1-173.6000112.9I755 I757 R761 G762 G800 D802 Q828 K831 Q832I755-H759 WeakPolarHBondContact O-CB 3.26Å; I755-H759 VanDerWaalsContact O-CG 3.28Å; I755-H759 PolarHBondContact O-N 3.33Å; I757-H759 PolarHBondContact O-N 3.13Å; H759-R761 PolarHBondContact O-N 3.1Å; H759-G762 PolarHBondContact O-N 2.81Å; H759-G800 PolarHBondContact CE1-O 2.99Å; H759-G800 PolarHBondContact NE2-O 2.92Å; H759-D802 IonicContact CD2-OD2 3.74Å; H759-D802 IonicContact NE2-OD1 3.77Å; H759-D802 IonicContact NE2-OD2 3.94Å; H759-D802 PolarHBondContact NE2-OD2 3.4Å; H759-Q828 PolarHBondContact CE1-O 2.89Å; H759-Q828 PolarHBondContact ND1-O 3.09Å; H759-K831 PolarHBondContact ND1-O 2.74Å; H759-Q832 PolarHBondContact O-NE2 3.15Å
760K97Very high97.2Very high79 Ų7916 Ų1634%0.3438%0.084SC..Hα-helixtrans-59.2-36.2172.5179.2-175.4172.3-162.80111.4R512 E698 K756 I757 C758R512-K760 PolarHBondContact O-NZ 3.18Å; E698-K760 IonicContact OE1-NZ 2.72Å; E698-K760 PolarHBondContact OE1-NZ 2.87Å; E698-K760 IonicContact OE2-NZ 3.26Å; K756-K760 VanDerWaalsContact O-CB 3.27Å; K756-K760 WeakPolarHBondContact O-CB 3.43Å; K756-K760 PolarHBondContact O-N 2.93Å; I757-K760 PolarHBondContact O-N 3.02Å; C758-K760 PolarHBondContact O-N 3.38Å
761R97.9Very high96.8Very high2 Ų216.9 Ų16.91%0.0089%0.091CC..THydrogen-bonded Turntrans-98.34.8-175.8-55.2-52.4177.1174.28.8114.1I511 R512 G514 W516 T517 V518 E698 L701 I757 C758 H759 A763I511-R761 PolarHBondContact O-NH2 3.29Å; R512-R761 PolarHBondContact O-NH2 2.98Å; G514-R761 PolarHBondContact O-NH1 3.41Å; G514-R761 PolarHBondContact O-NH2 3.35Å; W516-R761 HydrophobicContact CH2-CB 4.3Å; W516-R761 HydrophobicContact CH2-CG 3.8Å; W516-R761 HydrophobicContact CZ2-CG 4.14Å; W516-R761 HydrophobicContact CZ3-CB 4.15Å; W516-R761 HydrophobicContact CZ3-CG 4.11Å; W516-R761 WeakPolarHBondContact O-CD 3.49Å; W516-R761 PolarHBondContact O-NH1 3.49Å; T517-R761 CarbonylContact C-O 3.37Å; T517-R761 VanDerWaalsContact CA-O 3.22Å; T517-R761 WeakPolarHBondContact CA-O 3.37Å; T517-R761 VanDerWaalsContact CB-O 3.28Å; T517-R761 WeakPolarHBondContact CB-O 3.26Å; V518-R761 PolarHBondContact N-O 3.08Å; E698-R761 VanDerWaalsContact CD-NH2 3.25Å; E698-R761 HydrophobicContact CG-CG 4.37Å; E698-R761 IonicContact OE1-CZ 2.68Å; E698-R761 VanDerWaalsContact OE1-CZ 3.26Å; E698-R761 IonicContact OE1-NE 3.61Å; E698-R761 PolarHBondContact OE1-NE 2.74Å; E698-R761 IonicContact OE1-NH2 3.55Å; E698-R761 PolarHBondContact OE1-NH2 3.4Å; E698-R761 IonicContact OE2-NH2 3.32Å; L701-R761 HydrophobicContact CD1-CB 3.96Å; L701-R761 HydrophobicContact CD1-CG 4.01Å; I757-R761 HydrophobicContact CG2-CG 4.37Å; I757-R761 WeakPolarHBondContact O-CB 3.35Å; I757-R761 VanDerWaalsContact O-CG 3.29Å; I757-R761 WeakPolarHBondContact O-CG 3.49Å; I757-R761 PolarHBondContact O-N 3.14Å; C758-R761 CarbonylContact O-C 3.47Å; C758-R761 PolarHBondContact O-N 3.1Å; H759-R761 PolarHBondContact O-N 3.1Å; R761-A763 VanDerWaalsContact C-N 3.3Å; R761-A763 PolarHBondContact O-N 2.75Å
762G97.4Very high96.5Very high30 Ų3017.4 Ų17.431%0.3099%0.092SC..THydrogen-bonded Turntrans7121-179.400000114.7C758 H759C758-G762 PolarHBondContact O-N 3.47Å; H759-G762 PolarHBondContact O-N 2.81Å
763A98.4Very high96.1Very high0 Ų015.9 Ų15.90%09%0.087CC..  trans-101.6155.5175.600000110.2V518 L701 V709 C758 R761 L829V518-A763 HydrophobicContact CG1-CB 4.34Å; V518-A763 HydrophobicContact CG2-CB 3.77Å; L701-A763 HydrophobicContact CD2-CB 4.11Å; V709-A763 CarbonylContact O-C 3.6Å; V709-A763 WeakPolarHBondContact O-CA 3.38Å; C758-A763 CarbonylContact C-O 3.51Å; C758-A763 HydrophobicContact CB-CB 4.34Å; C758-A763 VanDerWaalsContact CB-O 3.27Å; C758-A763 WeakPolarHBondContact CB-O 3.46Å; C758-A763 PolarHBondContact O-N 2.86Å; C758-A763 VanDerWaalsContact O-O 3.08Å; R761-A763 VanDerWaalsContact C-N 3.3Å; R761-A763 PolarHBondContact O-N 2.75Å; A763-L829 WeakPolarHBondContact O-CD2 3.41Å
764H98.6Very high95.4Very high3 Ų317.2 Ų17.21%0.01410%0.098CC..EExtended strand (participates in β ladder)trans-77.7145.9175.2-67159.7000112.6L525 R528 V709 G710 L711 C758 I766 D802 N827L525-H764 PolarHBondContact O-CE1 3.04Å; R528-H764 WeakPolarHBondContact CD-ND1 3.31Å; V709-H764 PolarHBondContact O-N 2.92Å; G710-H764 CarbonylContact C-O 3.55Å; G710-H764 WeakPolarHBondContact CA-O 3.26Å; L711-H764 PolarHBondContact N-O 3.36Å; C758-H764 PolarHBondContact SG-O 3.09Å; H764-I766 HydrophobicContact CB-CD1 4.14Å; H764-D802 WeakPolarHBondContact CA-OD2 3.48Å; H764-D802 HydrophobicContact CB-CB 4.06Å; H764-D802 IonicContact CD2-OD1 4Å; H764-D802 IonicContact CD2-OD2 3.25Å; H764-D802 IonicContact CG-OD2 3.69Å; H764-N827 PolarHBondContact NE2-ND2 3.29Å
765A98.6Very high94.8Very high0 Ų018.6 Ų18.60%011%0.106CC..EExtended strand (participates in β ladder)trans-109.9107.3167.400000110L711 V754 I755 C758 H801 D802L711-A765 WeakPolarHBondContact O-CA 3.4Å; V754-A765 HydrophobicContact CG1-CB 4.3Å; I755-A765 HydrophobicContact CB-CB 4.27Å; I755-A765 HydrophobicContact CG1-CB 3.84Å; C758-A765 HydrophobicContact CB-CB 3.86Å; A765-H801 CarbonylContact O-C 3.46Å; A765-H801 VanDerWaalsContact O-CA 3.24Å; A765-H801 WeakPolarHBondContact O-CA 3.27Å; A765-H801 WeakPolarHBondContact O-CB 3.21Å; A765-H801 PolarHBondContact O-ND1 2.94Å; A765-D802 PolarHBondContact N-OD2 3.47Å; A765-D802 PolarHBondContact O-N 3.32Å
766I98.6Very high93.9Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-92.6133.2179.8-50.9-57.2000110.1R528 E531 L711 N712 C713 H764 D802R528-I766 HydrophobicContact CB-CD1 4.11Å; E531-I766 HydrophobicContact CG-CG2 4.46Å; L711-I766 PolarHBondContact O-N 2.84Å; N712-I766 CarbonylContact C-O 3.56Å; N712-I766 WeakPolarHBondContact CA-O 3.38Å; N712-I766 HydrophobicContact CB-CB 4.23Å; C713-I766 PolarHBondContact N-O 3.44Å; H764-I766 HydrophobicContact CB-CD1 4.14Å; I766-D802 HydrophobicContact CD1-CB 4.44Å
767G97.2Very high93.2Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-75.6178.4177.700000113.7N712 H801 G803N712-G767 PolarHBondContact ND2-O 3.4Å; G767-H801 PolarHBondContact N-ND1 3.02Å; G767-G803 PolarHBondContact N-O 2.81Å
768G92.1Very high92.7Very high6 Ų634.9 Ų34.96%0.06219%0.194CC..EExtended strand (participates in β ladder)trans-83.2-179.1-169.200000115.1C713 K793 E796 T804 W805C713-G768 VanDerWaalsContact O-CA 3.25Å; C713-G768 WeakPolarHBondContact O-CA 3.49Å; G768-K793 PolarHBondContact O-NZ 2.81Å; G768-E796 PolarHBondContact N-OE1 3Å; G768-T804 PolarHBondContact O-OG1 3.21Å; G768-W805 PolarHBondContact O-N 3.06Å
769M93.8Very high92.1Very high72 Ų7239 Ų3936%0.35522%0.221SC..EExtended strand (participates in β ladder)trans-76.4137.1-178.3177.151.472.900113.4T533 A771 W805 A807T533-M769 HydrophobicContact CG2-CE 3.66Å; T533-M769 WeakPolarHBondContact OG1-CE 3.44Å; M769-A771 HydrophobicContact CG-CB 4.04Å; M769-W805 HydrophobicContact CB-CB 4.47Å; M769-W805 HydrophobicContact CE-CB 3.86Å; M769-W805 HydrophobicContact CE-CE3 4.07Å; M769-W805 HydrophobicContact SD-CB 4.27Å; M769-A807 HydrophobicContact CE-CB 4.11Å; M769-A807 HydrophobicContact SD-CB 3.69Å; M769-A807 PolarHBondContact SD-N 2.89Å
770S93.1Very high91.6Very high8 Ų845.6 Ų45.66%0.05625%0.251CS..EExtended strand (participates in β ladder)trans-108.6108.9152.9-75.50000110.9K793 W805 V806 A807 L811S770-K793 WeakPolarHBondContact OG-CE 3.28Å; S770-W805 PolarHBondContact N-O 3.26Å; S770-V806 WeakPolarHBondContact O-CA 3.09Å; S770-A807 PolarHBondContact O-N 3.49Å; S770-A807 VanDerWaalsContact O-N 3.14Å; S770-L811 WeakPolarHBondContact O-CD1 3.48Å
771A89Confident91Very high19 Ų1943.9 Ų43.916%0.15725%0.245CC..  trans-934-17300000114.6M769 I773 L882 M883M769-A771 HydrophobicContact CG-CB 4.04Å; A771-I773 PolarHBondContact O-N 2.72Å; A771-L882 CarbonylContact O-C 3.55Å; A771-L882 WeakPolarHBondContact O-CA 3.48Å; A771-M883 PolarHBondContact O-N 2.97Å
772F90.9Very high90.4Very high16 Ų1645 Ų457%0.0725%0.252CS..BIsolated β-bridgetrans-63.8135.4-173.1178.5-106.5000113.3P774 N782 A785 L811 N881F772-P774 HydrophobicContact CD1-CG 4.45Å; F772-P774 HydrophobicContact CE1-CB 4.35Å; F772-P774 HydrophobicContact CE1-CG 4.28Å; F772-N782 WeakPolarHBondContact CZ-OD1 3.44Å; F772-A785 HydrophobicContact CD1-CB 3.71Å; F772-A785 HydrophobicContact CD2-CB 3.44Å; F772-A785 VanDerWaalsContact CD2-CB 3.44Å; F772-A785 HydrophobicContact CE1-CB 3.55Å; F772-A785 HydrophobicContact CE2-CB 3.28Å; F772-A785 HydrophobicContact CG-CB 3.64Å; F772-A785 HydrophobicContact CZ-CB 3.34Å; F772-L811 HydrophobicContact CB-CD1 4.18Å; F772-L811 HydrophobicContact CD1-CD2 4.31Å; F772-L811 VanDerWaalsContact O-CD1 3.3Å; F772-L811 WeakPolarHBondContact O-CD1 3.32Å; F772-N881 WeakPolarHBondContact CD2-O 3.45Å; F772-N881 HydrophobicContact CE2-CB 4.19Å
773I87.9Confident90Very high28 Ų2848.2 Ų48.214%0.14426%0.262CS..  trans-106113.6175.6-54.4175.4000108.4A771 V775 P878 N881 M883A771-I773 PolarHBondContact O-N 2.72Å; I773-V775 PolarHBondContact O-N 3.09Å; I773-P878 HydrophobicContact CD1-CB 3.53Å; I773-N881 PolarHBondContact N-O 3.06Å; I773-M883 HydrophobicContact CD1-CB 4.03Å; I773-M883 HydrophobicContact CD1-CE 3.7Å; I773-M883 HydrophobicContact CD1-SD 4.14Å; I773-M883 HydrophobicContact CG1-CB 4.11Å; I773-M883 HydrophobicContact CG1-CE 4.21Å
774P85Confident89.3Confident49 Ų4956.2 Ų56.232%0.31829%0.292SS..  trans-58.5131.3177.2-2534.4000113.1F772 N782F772-P774 HydrophobicContact CD1-CG 4.45Å; F772-P774 HydrophobicContact CE1-CB 4.35Å; F772-P774 HydrophobicContact CE1-CG 4.28Å; P774-N782 WeakPolarHBondContact CA-OD1 3.41Å
775V85.1Confident88.6Confident29 Ų2957 Ų5718%0.17630%0.299CS..  trans-99.2110.1-179.6-176.80000109.6I773 S777 D778 L781 N782 N881I773-V775 PolarHBondContact O-N 3.09Å; V775-S777 PolarHBondContact O-N 3.48Å; V775-S777 VanDerWaalsContact O-N 3.08Å; V775-D778 HydrophobicContact CB-CB 4.28Å; V775-D778 HydrophobicContact CG1-CB 3.98Å; V775-D778 PolarHBondContact O-N 3.46Å; V775-D778 VanDerWaalsContact O-N 3.16Å; V775-L781 HydrophobicContact CB-CD2 4.42Å; V775-L781 HydrophobicContact CG2-CD2 3.87Å; V775-N782 PolarHBondContact N-OD1 2.95Å; V775-N782 PolarHBondContact O-ND2 2.91Å; V775-N881 HydrophobicContact CG2-CB 4Å; V775-N881 VanDerWaalsContact CG2-CG 3.46Å; V775-N881 WeakPolarHBondContact CG2-OD1 3.11Å
776K78.3Confident88.1Confident217 Ų21758.4 Ų58.494%0.94331%0.306SS*.THydrogen-bonded Turntrans-56.9-29.6-174.8-71.6-177179.8176.90114.4
777S84.4Confident87.7Confident110 Ų11060.9 Ų60.977%0.76932%0.323SS*.THydrogen-bonded Turntrans-93.8-1.5-175.554.90000114.6V775V775-S777 PolarHBondContact O-N 3.48Å; V775-S777 VanDerWaalsContact O-N 3.08Å
778D85.8Confident87.2Confident59 Ų5965.4 Ų65.432%0.31635%0.345SS..  trans-135.583-173.6-166-21.8000112V775 E780 L781 N782V775-D778 HydrophobicContact CB-CB 4.28Å; V775-D778 HydrophobicContact CG1-CB 3.98Å; V775-D778 PolarHBondContact O-N 3.46Å; V775-D778 VanDerWaalsContact O-N 3.16Å; D778-E780 VanDerWaalsContact C-N 3.35Å; D778-E780 PolarHBondContact O-N 2.85Å; D778-E780 PolarHBondContact OD1-N 3.25Å; D778-L781 HydrophobicContact CB-CB 3.96Å; D778-L781 PolarHBondContact O-N 3.14Å; D778-L781 WeakPolarHBondContact OD1-CB 3.35Å; D778-L781 PolarHBondContact OD1-N 2.95Å; D778-L781 WeakPolarHBondContact OD2-CB 3.48Å; D778-N782 VanDerWaalsContact O-CG 3.27Å; D778-N782 PolarHBondContact O-N 3.48Å; D778-N782 VanDerWaalsContact O-N 3.14Å; D778-N782 PolarHBondContact O-ND2 3.35Å; D778-N782 VanDerWaalsContact O-ND2 3.12Å
779P86.3Confident87.1Confident87 Ų8765.5 Ų65.557%0.56534%0.344SS*.Hα-helixtrans-61.3-37.6179.3-22.933.9000113.7N782 D783P779-N782 WeakPolarHBondContact O-CB 3.33Å; P779-N782 PolarHBondContact O-N 3.45Å; P779-D783 PolarHBondContact O-N 3.39Å
780E87.2Confident87Confident144 Ų14467 Ų6767%0.67335%0.346SS*.Hα-helixtrans-68.5-38.8-179.2-72-172.8176.900112.2D778 N782 D783 R784D778-E780 VanDerWaalsContact C-N 3.35Å; D778-E780 PolarHBondContact O-N 2.85Å; D778-E780 PolarHBondContact OD1-N 3.25Å; E780-N782 VanDerWaalsContact C-N 3.34Å; E780-D783 PolarHBondContact O-N 3.05Å; E780-R784 WeakPolarHBondContact O-CG 3.41Å; E780-R784 PolarHBondContact O-N 3.25Å; E780-R784 VanDerWaalsContact O-N 3.09Å
781L84.5Confident87Confident42 Ų4272 Ų7222%0.2237%0.368CS..Hα-helixtrans-63.6-42.5172.2-176.670.9000111V775 D778 R784 A785 N881V775-L781 HydrophobicContact CB-CD2 4.42Å; V775-L781 HydrophobicContact CG2-CD2 3.87Å; D778-L781 HydrophobicContact CB-CB 3.96Å; D778-L781 PolarHBondContact O-N 3.14Å; D778-L781 WeakPolarHBondContact OD1-CB 3.35Å; D778-L781 PolarHBondContact OD1-N 2.95Å; D778-L781 WeakPolarHBondContact OD2-CB 3.48Å; L781-R784 PolarHBondContact O-N 3.38Å; L781-A785 WeakPolarHBondContact O-CB 3.48Å; L781-A785 PolarHBondContact O-N 3.02Å; L781-N881 WeakPolarHBondContact CD2-ND2 3.12Å
782N86.2Confident87.1Confident26 Ų2672.9 Ų72.914%0.13937%0.37CS..Hα-helixtrans-61.6-44.5175.6-67.3-33.5000111.6F772 P774 V775 D778 P779 E780 R784 A785 L786F772-N782 WeakPolarHBondContact CZ-OD1 3.44Å; P774-N782 WeakPolarHBondContact CA-OD1 3.41Å; V775-N782 PolarHBondContact N-OD1 2.95Å; V775-N782 PolarHBondContact O-ND2 2.91Å; D778-N782 VanDerWaalsContact O-CG 3.27Å; D778-N782 PolarHBondContact O-N 3.48Å; D778-N782 VanDerWaalsContact O-N 3.14Å; D778-N782 PolarHBondContact O-ND2 3.35Å; D778-N782 VanDerWaalsContact O-ND2 3.12Å; P779-N782 WeakPolarHBondContact O-CB 3.33Å; P779-N782 PolarHBondContact O-N 3.45Å; E780-N782 VanDerWaalsContact C-N 3.34Å; N782-R784 PolarHBondContact O-N 3.46Å; N782-A785 PolarHBondContact O-N 3.23Å; N782-L786 WeakPolarHBondContact O-CB 3.34Å; N782-L786 WeakPolarHBondContact O-CG 3.37Å; N782-L786 PolarHBondContact O-N 3.49Å
783D87.9Confident87.4Confident98 Ų9872.2 Ų72.252%0.52437%0.368SS..Hα-helixtrans-63.8-41.9-179.2-78-18.5000112P779 E780 S787P779-D783 PolarHBondContact O-N 3.39Å; E780-D783 PolarHBondContact O-N 3.05Å; D783-S787 WeakPolarHBondContact O-CB 3.39Å; D783-S787 PolarHBondContact O-N 3.17Å; D783-S787 PolarHBondContact O-OG 3.11Å
784R84.7Confident87.8Confident167 Ų16775.5 Ų75.563%0.6338%0.382SS*.Hα-helixtrans-63.7-48.7174.8-76.1-174.5-71.8165-4.9111.8E780 L781 N782 S787 Q788E780-R784 WeakPolarHBondContact O-CG 3.41Å; E780-R784 PolarHBondContact O-N 3.25Å; E780-R784 VanDerWaalsContact O-N 3.09Å; L781-R784 PolarHBondContact O-N 3.38Å; N782-R784 PolarHBondContact O-N 3.46Å; R784-S787 PolarHBondContact O-N 3.14Å; R784-Q788 PolarHBondContact O-N 3.32Å; R784-Q788 VanDerWaalsContact O-N 3.09Å
785A83.9Confident88.3Confident19 Ų1975.5 Ų75.516%0.15738%0.376CS..Hα-helixtrans-64.8-41.8-179.800000112.1F772 L781 N782 S787 Q788 V789F772-A785 HydrophobicContact CD1-CB 3.71Å; F772-A785 HydrophobicContact CD2-CB 3.44Å; F772-A785 VanDerWaalsContact CD2-CB 3.44Å; F772-A785 HydrophobicContact CE1-CB 3.55Å; F772-A785 HydrophobicContact CE2-CB 3.28Å; F772-A785 HydrophobicContact CG-CB 3.64Å; F772-A785 HydrophobicContact CZ-CB 3.34Å; L781-A785 WeakPolarHBondContact O-CB 3.48Å; L781-A785 PolarHBondContact O-N 3.02Å; N782-A785 PolarHBondContact O-N 3.23Å; A785-S787 VanDerWaalsContact C-N 3.31Å; A785-S787 PolarHBondContact O-N 2.89Å; A785-Q788 PolarHBondContact O-N 3.5Å; A785-V789 WeakPolarHBondContact O-CG2 3.33Å; A785-V789 PolarHBondContact O-N 3.46Å
786L88Confident88.9Confident31 Ų3174.6 Ų74.616%0.16237%0.37CS..Hα-helixtrans-64.9-34.4175.7-73.5176.4000112.2N782 V789 R790 L811 V814N782-L786 WeakPolarHBondContact O-CB 3.34Å; N782-L786 WeakPolarHBondContact O-CG 3.37Å; N782-L786 PolarHBondContact O-N 3.49Å; L786-V789 PolarHBondContact O-N 3.5Å; L786-R790 WeakPolarHBondContact O-CB 3.45Å; L786-R790 VanDerWaalsContact O-CG 3.27Å; L786-R790 WeakPolarHBondContact O-CG 3.26Å; L786-R790 PolarHBondContact O-N 3.08Å; L786-L811 HydrophobicContact CD2-CD2 3.69Å; L786-V814 HydrophobicContact CD2-CG2 4.02Å
787S90.2Very high89.8Confident51 Ų5164.2 Ų64.236%0.35733%0.325SS..Hα-helixtrans-65.1-44.4174.5-590000111.2D783 R784 A785 V789 R790 E791D783-S787 WeakPolarHBondContact O-CB 3.39Å; D783-S787 PolarHBondContact O-N 3.17Å; D783-S787 PolarHBondContact O-OG 3.11Å; R784-S787 PolarHBondContact O-N 3.14Å; A785-S787 VanDerWaalsContact C-N 3.31Å; A785-S787 PolarHBondContact O-N 2.89Å; S787-V789 PolarHBondContact O-N 3.25Å; S787-R790 WeakPolarHBondContact O-CB 3.45Å; S787-R790 PolarHBondContact O-N 2.71Å; S787-R790 VanDerWaalsContact O-N 3.16Å; S787-E791 PolarHBondContact O-N 3.26Å
788Q86.6Confident90.3Very high95 Ų9563.8 Ų63.844%0.44431%0.313SS..Hα-helixtrans-62.1-43.8174.6-173.261.158.500112.1R784 A785 R790 E791 D792R784-Q788 PolarHBondContact O-N 3.32Å; R784-Q788 VanDerWaalsContact O-N 3.09Å; A785-Q788 PolarHBondContact O-N 3.5Å; Q788-R790 VanDerWaalsContact C-N 3.29Å; Q788-R790 PolarHBondContact O-N 3.41Å; Q788-E791 PolarHBondContact O-N 3.31Å; Q788-D792 PolarHBondContact NE2-OD1 2.75Å; Q788-D792 PolarHBondContact NE2-OD2 2.99Å; Q788-D792 WeakPolarHBondContact O-CB 3.41Å; Q788-D792 PolarHBondContact O-N 2.79Å
789V89.6Confident90.8Very high8 Ų861.9 Ų61.95%0.04830%0.303CS..Hα-helixtrans-58.8-43174.7171.30000110.3A785 L786 S787 D792 K793A785-V789 WeakPolarHBondContact O-CG2 3.33Å; A785-V789 PolarHBondContact O-N 3.46Å; L786-V789 PolarHBondContact O-N 3.5Å; S787-V789 PolarHBondContact O-N 3.25Å; V789-D792 PolarHBondContact O-N 3.4Å; V789-K793 HydrophobicContact CG1-CG 4.21Å; V789-K793 WeakPolarHBondContact O-CB 3.28Å; V789-K793 VanDerWaalsContact O-CG 3.28Å; V789-K793 WeakPolarHBondContact O-CG 3.49Å; V789-K793 PolarHBondContact O-N 3.38Å
790R93.2Very high91.4Very high103 Ų10357.7 Ų57.739%0.38928%0.276SS..Hα-helixtrans-60.3-51.5177.7-75.7176.1-170.4126.61.1112L786 S787 Q788 D792 K793 E794 V814 I818L786-R790 WeakPolarHBondContact O-CB 3.45Å; L786-R790 VanDerWaalsContact O-CG 3.27Å; L786-R790 WeakPolarHBondContact O-CG 3.26Å; L786-R790 PolarHBondContact O-N 3.08Å; S787-R790 WeakPolarHBondContact O-CB 3.45Å; S787-R790 PolarHBondContact O-N 2.71Å; S787-R790 VanDerWaalsContact O-N 3.16Å; Q788-R790 VanDerWaalsContact C-N 3.29Å; Q788-R790 PolarHBondContact O-N 3.41Å; R790-D792 VanDerWaalsContact C-N 3.29Å; R790-D792 PolarHBondContact O-N 3.48Å; R790-K793 PolarHBondContact O-N 3.2Å; R790-E794 WeakPolarHBondContact O-CB 3.3Å; R790-E794 WeakPolarHBondContact O-CG 3.28Å; R790-E794 PolarHBondContact O-N 3.26Å; R790-V814 HydrophobicContact CG-CG1 3.96Å; R790-I818 HydrophobicContact CB-CD1 4.13Å; R790-I818 HydrophobicContact CG-CD1 3.93Å
791E91.9Very high91.9Very high114 Ų11451 Ų5153%0.53325%0.245SC..Hα-helixtrans-58.9-41.5179.2-71.4177.1-168.700112.1S787 Q788 R795S787-E791 PolarHBondContact O-N 3.26Å; Q788-E791 PolarHBondContact O-N 3.31Å; E791-R795 WeakPolarHBondContact O-CB 3.45Å; E791-R795 PolarHBondContact O-N 2.86Å
792D92.5Very high92.6Very high38 Ų3849 Ų4920%0.20324%0.235CC..Hα-helixtrans-65.6-43.5178.8-74.5-25.5000112.2Q788 V789 R790 R795 E796Q788-D792 PolarHBondContact NE2-OD1 2.75Å; Q788-D792 PolarHBondContact NE2-OD2 2.99Å; Q788-D792 WeakPolarHBondContact O-CB 3.41Å; Q788-D792 PolarHBondContact O-N 2.79Å; V789-D792 PolarHBondContact O-N 3.4Å; R790-D792 VanDerWaalsContact C-N 3.29Å; R790-D792 PolarHBondContact O-N 3.48Å; D792-R795 PolarHBondContact O-N 3.41Å; D792-R795 IonicContact OD1-CZ 2.8Å; D792-R795 IonicContact OD1-NH1 3.38Å; D792-R795 PolarHBondContact OD1-NH1 3.25Å; D792-R795 IonicContact OD1-NH2 3.13Å; D792-R795 PolarHBondContact OD1-NH2 2.78Å; D792-E796 WeakPolarHBondContact O-CG 3.47Å; D792-E796 PolarHBondContact O-N 3.46Å
793K95.3Very high93.2Very high2 Ų247.8 Ų47.81%0.00923%0.228CC..Hα-helixtrans-76-34.5-178.9-63-32.2179-173.30112.8G768 S770 V789 R790 R795 E796 A797 T804 I818 F819G768-K793 PolarHBondContact O-NZ 2.81Å; S770-K793 WeakPolarHBondContact OG-CE 3.28Å; V789-K793 HydrophobicContact CG1-CG 4.21Å; V789-K793 WeakPolarHBondContact O-CB 3.28Å; V789-K793 VanDerWaalsContact O-CG 3.28Å; V789-K793 WeakPolarHBondContact O-CG 3.49Å; V789-K793 PolarHBondContact O-N 3.38Å; R790-K793 PolarHBondContact O-N 3.2Å; K793-R795 VanDerWaalsContact C-N 3.33Å; K793-E796 WeakPolarHBondContact CD-OE2 3.47Å; K793-E796 IonicContact NZ-OE1 3.24Å; K793-E796 PolarHBondContact NZ-OE1 3.4Å; K793-E796 IonicContact NZ-OE2 3.74Å; K793-E796 PolarHBondContact NZ-OE2 3.34Å; K793-E796 PolarHBondContact O-N 3.27Å; K793-A797 WeakPolarHBondContact O-CB 3.36Å; K793-A797 PolarHBondContact O-N 3.41Å; K793-T804 HydrophobicContact CD-CG2 4.06Å; K793-T804 WeakPolarHBondContact CD-OG1 3.41Å; K793-T804 WeakPolarHBondContact CE-OG1 3.17Å; K793-T804 HydrophobicContact CG-CG2 4.42Å; K793-T804 PolarHBondContact NZ-OG1 2.9Å; K793-I818 HydrophobicContact CB-CD1 3.69Å; K793-I818 HydrophobicContact CB-CG2 4.09Å; K793-I818 HydrophobicContact CG-CD1 4.47Å; K793-F819 HydrophobicContact CB-CE2 4.26Å
794E96.5Very high93.7Very high96 Ų9643.1 Ų43.145%0.44920%0.203SC..Hα-helixtrans-62.3-44.4171.9-79.9-179.2-173.800110.5R790 A797 N798 I818R790-E794 WeakPolarHBondContact O-CB 3.3Å; R790-E794 WeakPolarHBondContact O-CG 3.28Å; R790-E794 PolarHBondContact O-N 3.26Å; E794-A797 PolarHBondContact O-N 2.9Å; E794-N798 WeakPolarHBondContact O-CB 3.34Å; E794-N798 PolarHBondContact O-N 2.86Å; E794-N798 PolarHBondContact O-ND2 3.15Å; E794-I818 HydrophobicContact CB-CG2 4.31Å; E794-I818 HydrophobicContact CG-CG1 4.44Å; E794-I818 HydrophobicContact CG-CG2 3.63Å
795R95.9Very high94.3Very high49 Ų4935.8 Ų35.819%0.18518%0.176CC..Hα-helixtrans-58.8-50.4174.5179.1-176.262.6-111.4-2.7111.5E791 D792 K793 A797 N798 D799E791-R795 WeakPolarHBondContact O-CB 3.45Å; E791-R795 PolarHBondContact O-N 2.86Å; D792-R795 PolarHBondContact O-N 3.41Å; D792-R795 IonicContact OD1-CZ 2.8Å; D792-R795 IonicContact OD1-NH1 3.38Å; D792-R795 PolarHBondContact OD1-NH1 3.25Å; D792-R795 IonicContact OD1-NH2 3.13Å; D792-R795 PolarHBondContact OD1-NH2 2.78Å; K793-R795 VanDerWaalsContact C-N 3.33Å; R795-A797 PolarHBondContact O-N 3.32Å; R795-N798 PolarHBondContact O-N 3.36Å; R795-D799 WeakPolarHBondContact CG-OD2 3.26Å; R795-D799 WeakPolarHBondContact O-CB 3.28Å; R795-D799 VanDerWaalsContact O-CG 3.28Å; R795-D799 PolarHBondContact O-N 3.46Å; R795-D799 VanDerWaalsContact O-OD2 3.11Å
796E97.3Very high94.9Very high10 Ų1034.9 Ų34.95%0.04717%0.168CC..Hα-helixtrans-57.1-49.4-179.7-75.3173.5174.500111.9G768 D792 K793 N798 D799 G800 H801 T804 F819G768-E796 PolarHBondContact N-OE1 3Å; D792-E796 WeakPolarHBondContact O-CG 3.47Å; D792-E796 PolarHBondContact O-N 3.46Å; K793-E796 WeakPolarHBondContact CD-OE2 3.47Å; K793-E796 IonicContact NZ-OE1 3.24Å; K793-E796 PolarHBondContact NZ-OE1 3.4Å; K793-E796 IonicContact NZ-OE2 3.74Å; K793-E796 PolarHBondContact NZ-OE2 3.34Å; K793-E796 PolarHBondContact O-N 3.27Å; E796-N798 PolarHBondContact O-N 3.03Å; E796-D799 PolarHBondContact O-N 2.82Å; E796-G800 PolarHBondContact O-N 3.49Å; E796-H801 HydrophobicContact CB-CB 4.29Å; E796-H801 WeakPolarHBondContact O-CB 3.4Å; E796-H801 PolarHBondContact O-N 3.27Å; E796-T804 PolarHBondContact OE2-OG1 3.27Å; E796-F819 HydrophobicContact CB-CZ 4.35Å
797A97.2Very high95.2Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-63.4-42.6177.400000111.9K793 E794 R795 D799 G800 F819 A822 Q828 K831K793-A797 WeakPolarHBondContact O-CB 3.36Å; K793-A797 PolarHBondContact O-N 3.41Å; E794-A797 PolarHBondContact O-N 2.9Å; R795-A797 PolarHBondContact O-N 3.32Å; A797-D799 VanDerWaalsContact C-N 3.29Å; A797-D799 PolarHBondContact O-N 3.31Å; A797-G800 PolarHBondContact O-N 3.48Å; A797-F819 HydrophobicContact CB-CD1 4.19Å; A797-F819 HydrophobicContact CB-CD2 4.37Å; A797-F819 HydrophobicContact CB-CE1 4Å; A797-F819 HydrophobicContact CB-CE2 4.17Å; A797-F819 HydrophobicContact CB-CG 4.38Å; A797-F819 HydrophobicContact CB-CZ 4Å; A797-A822 HydrophobicContact CB-CB 3.61Å; A797-Q828 PolarHBondContact O-NE2 2.99Å; A797-Q828 PolarHBondContact O-OE1 2.59Å; A797-K831 PolarHBondContact O-NZ 3.21Å
798N96.4Very high95.3Very high100 Ų10034.2 Ų34.254%0.53516%0.16SC..Hα-helixtrans-68-26179-73.9-30.8000113.4E794 R795 E796 K831E794-N798 WeakPolarHBondContact O-CB 3.34Å; E794-N798 PolarHBondContact O-N 2.86Å; E794-N798 PolarHBondContact O-ND2 3.15Å; R795-N798 PolarHBondContact O-N 3.36Å; E796-N798 PolarHBondContact O-N 3.03Å; N798-K831 VanDerWaalsContact C-NZ 3.29Å; N798-K831 WeakPolarHBondContact O-CE 3.42Å; N798-K831 PolarHBondContact O-NZ 2.83Å
799D96.2Very high95.6Very high19 Ų1931.8 Ų31.810%0.10215%0.153CC..Hα-helixtrans-75.3-31.1172.7-74.7-44.5000113.2R748 K752 I755 R795 E796 A797R748-D799 IonicContact CZ-OD1 3.4Å; R748-D799 IonicContact CZ-OD2 3.99Å; R748-D799 IonicContact NH1-OD1 3.77Å; R748-D799 PolarHBondContact NH1-OD1 3.5Å; R748-D799 IonicContact NH1-OD2 3.69Å; R748-D799 PolarHBondContact NH1-OD2 3.44Å; R748-D799 IonicContact NH2-OD1 3.48Å; R748-D799 PolarHBondContact NH2-OD1 3.26Å; R748-D799 IonicContact NH2-OD2 3.89Å; R748-D799 PolarHBondContact NH2-OD2 2.79Å; K752-D799 WeakPolarHBondContact CE-OD1 3.41Å; I755-D799 HydrophobicContact CD1-CB 3.68Å; R795-D799 WeakPolarHBondContact CG-OD2 3.26Å; R795-D799 WeakPolarHBondContact O-CB 3.28Å; R795-D799 VanDerWaalsContact O-CG 3.28Å; R795-D799 PolarHBondContact O-N 3.46Å; R795-D799 VanDerWaalsContact O-OD2 3.11Å; E796-D799 PolarHBondContact O-N 2.82Å; A797-D799 VanDerWaalsContact C-N 3.29Å; A797-D799 PolarHBondContact O-N 3.31Å
800G97.2Very high95.7Very high0 Ų033.3 Ų33.30%017%0.17CC..THydrogen-bonded Turntrans127.79179.600000114.8H759 E796 A797 D802 Q828H759-G800 PolarHBondContact CE1-O 2.99Å; H759-G800 PolarHBondContact NE2-O 2.92Å; E796-G800 PolarHBondContact O-N 3.49Å; A797-G800 PolarHBondContact O-N 3.48Å; G800-D802 PolarHBondContact O-N 3.09Å; G800-Q828 VanDerWaalsContact CA-NE2 3.28Å
801H98.6Very high95.7Very high4 Ų428.4 Ų28.42%0.01915%0.151CC..  trans-59.4140.2173.9-79.3-64000111.8C713 A765 G767 E796 G803 F819 Q828C713-H801 VanDerWaalsContact SG-CE1 3.53Å; A765-H801 CarbonylContact O-C 3.46Å; A765-H801 VanDerWaalsContact O-CA 3.24Å; A765-H801 WeakPolarHBondContact O-CA 3.27Å; A765-H801 WeakPolarHBondContact O-CB 3.21Å; A765-H801 PolarHBondContact O-ND1 2.94Å; G767-H801 PolarHBondContact N-ND1 3.02Å; E796-H801 HydrophobicContact CB-CB 4.29Å; E796-H801 WeakPolarHBondContact O-CB 3.4Å; E796-H801 PolarHBondContact O-N 3.27Å; H801-G803 VanDerWaalsContact C-N 3.29Å; H801-F819 HydrophobicContact CB-CZ 4.49Å; H801-Q828 PolarHBondContact O-NE2 2.89Å
802D98.6Very high95.9Very high0 Ų023.1 Ų23.10%013%0.127CC..SBendtrans-82.3-11.2177.4-59.2-74000112.7R529 H759 H764 A765 I766 G800 M823 N827 Q828 L829R529-D802 WeakPolarHBondContact CA-O 3.35Å; H759-D802 IonicContact CD2-OD2 3.74Å; H759-D802 IonicContact NE2-OD1 3.77Å; H759-D802 IonicContact NE2-OD2 3.94Å; H759-D802 PolarHBondContact NE2-OD2 3.4Å; H764-D802 WeakPolarHBondContact CA-OD2 3.48Å; H764-D802 HydrophobicContact CB-CB 4.06Å; H764-D802 IonicContact CD2-OD1 4Å; H764-D802 IonicContact CD2-OD2 3.25Å; H764-D802 IonicContact CG-OD2 3.69Å; A765-D802 PolarHBondContact N-OD2 3.47Å; A765-D802 PolarHBondContact O-N 3.32Å; I766-D802 HydrophobicContact CD1-CB 4.44Å; G800-D802 PolarHBondContact O-N 3.09Å; D802-M823 WeakPolarHBondContact O-CE 3.46Å; D802-N827 HydrophobicContact CB-CB 4.15Å; D802-N827 WeakPolarHBondContact OD1-CB 3.42Å; D802-Q828 WeakPolarHBondContact OD1-CA 3.16Å; D802-Q828 PolarHBondContact OD1-N 3.11Å; D802-L829 PolarHBondContact OD1-N 2.88Å
803G98.4Very high96.1Very high0 Ų025.3 Ų25.30%014%0.143CC..EExtended strand (participates in β ladder)trans-174.5-177.4177.600000112.7R528 R529 G767 H801 F819R528-G803 WeakPolarHBondContact O-CA 3.33Å; R529-G803 CarbonylContact O-C 3.39Å; R529-G803 VanDerWaalsContact O-CA 3.25Å; R529-G803 WeakPolarHBondContact O-CA 3.18Å; G767-G803 PolarHBondContact N-O 2.81Å; H801-G803 VanDerWaalsContact C-N 3.29Å; G803-F819 VanDerWaalsContact CA-CE1 3.45Å
804T98.4Very high96Very high0 Ų026.4 Ų26.40%015%0.15CC..EExtended strand (participates in β ladder)trans-147.8162.1-178.3-178.40000112.3R529 V530 E531 G768 K793 E796 A815 F819R529-T804 PolarHBondContact O-N 3.36Å; R529-T804 VanDerWaalsContact O-N 3.12Å; V530-T804 WeakPolarHBondContact CA-O 3.28Å; V530-T804 HydrophobicContact CG2-CG2 4.35Å; E531-T804 PolarHBondContact N-O 3.15Å; G768-T804 PolarHBondContact O-OG1 3.21Å; K793-T804 HydrophobicContact CD-CG2 4.06Å; K793-T804 WeakPolarHBondContact CD-OG1 3.41Å; K793-T804 WeakPolarHBondContact CE-OG1 3.17Å; K793-T804 HydrophobicContact CG-CG2 4.42Å; K793-T804 PolarHBondContact NZ-OG1 2.9Å; E796-T804 PolarHBondContact OE2-OG1 3.27Å; T804-A815 HydrophobicContact CG2-CB 3.99Å; T804-F819 HydrophobicContact CG2-CD2 3.8Å; T804-F819 HydrophobicContact CG2-CE2 3.32Å; T804-F819 HydrophobicContact CG2-CZ 3.93Å
805W98.2Very high96Very high13 Ų1321.9 Ų21.95%0.04913%0.129CC..EExtended strand (participates in β ladder)trans-99.2145.9174-76.54.5000115.2E531 T533 M553 Y651 L687 G768 M769 S770E531-W805 WeakPolarHBondContact O-CA 3.37Å; E531-W805 PolarHBondContact OE2-NE1 3.02Å; T533-W805 HydrophobicContact CG2-CD2 3.71Å; T533-W805 HydrophobicContact CG2-CE3 3.86Å; T533-W805 HydrophobicContact CG2-CG 4.09Å; T533-W805 HydrophobicContact CG2-CH2 4.33Å; T533-W805 HydrophobicContact CG2-CZ2 4.25Å; T533-W805 HydrophobicContact CG2-CZ3 4.18Å; M553-W805 HydrophobicContact CE-CH2 3.68Å; M553-W805 HydrophobicContact CE-CZ2 4.09Å; M553-W805 HydrophobicContact CE-CZ3 4.27Å; M553-W805 HydrophobicContact SD-CH2 3.51Å; M553-W805 VanDerWaalsContact SD-CH2 3.51Å; M553-W805 HydrophobicContact SD-CZ2 3.46Å; M553-W805 WeakPolarHBondContact SD-CZ2 2.85Å; Y651-W805 HydrophobicContact CD1-CZ2 4.09Å; Y651-W805 HydrophobicContact CD2-CZ2 4.12Å; Y651-W805 HydrophobicContact CE1-CH2 4.37Å; Y651-W805 AromaticContact CE1-CZ2 3.64Å; Y651-W805 HydrophobicContact CE1-CZ2 3.64Å; Y651-W805 AromaticContact CE2-CZ2 3.7Å; Y651-W805 HydrophobicContact CE2-CZ2 3.7Å; Y651-W805 HydrophobicContact CG-CZ2 4.27Å; Y651-W805 AromaticContact CZ-CE2 3.93Å; Y651-W805 AromaticContact CZ-CZ2 3.42Å; Y651-W805 VanDerWaalsContact CZ-CZ2 3.42Å; Y651-W805 AromaticContact CZ-NE1 3.86Å; Y651-W805 PolarHBondContact OH-NE1 3.32Å; L687-W805 HydrophobicContact CD2-CH2 3.61Å; L687-W805 HydrophobicContact CD2-CZ3 4.04Å; L687-W805 HydrophobicContact CG-CH2 4.26Å; G768-W805 PolarHBondContact O-N 3.06Å; M769-W805 HydrophobicContact CB-CB 4.47Å; M769-W805 HydrophobicContact CE-CB 3.86Å; M769-W805 HydrophobicContact CE-CE3 4.07Å; M769-W805 HydrophobicContact SD-CB 4.27Å; S770-W805 PolarHBondContact N-O 3.26Å
806V96.5Very high96.1Very high0 Ų020.9 Ų20.90%013%0.127CC..EExtended strand (participates in β ladder)trans-134.7149.2165.6-620000110.4V530 E531 I532 T533 S770 L811 V812 A815V530-V806 HydrophobicContact CG1-CG2 4.04Å; E531-V806 PolarHBondContact O-N 2.79Å; I532-V806 WeakPolarHBondContact CA-O 3.43Å; I532-V806 HydrophobicContact CB-CG2 4.26Å; I532-V806 HydrophobicContact CG1-CG2 4.3Å; T533-V806 PolarHBondContact N-O 2.75Å; S770-V806 WeakPolarHBondContact O-CA 3.09Å; V806-L811 HydrophobicContact CB-CB 4Å; V806-L811 HydrophobicContact CG1-CB 3.81Å; V806-V812 HydrophobicContact CG2-CG2 3.64Å; V806-A815 HydrophobicContact CG1-CB 4.01Å
807A93.9Very high96.1Very high12 Ų1224 Ų2410%0.09914%0.144CC..SBendtrans-100-8.8177.900000113.7M769 S770 M883M769-A807 HydrophobicContact CE-CB 4.11Å; M769-A807 HydrophobicContact SD-CB 3.69Å; M769-A807 PolarHBondContact SD-N 2.89Å; S770-A807 PolarHBondContact O-N 3.49Å; S770-A807 VanDerWaalsContact O-N 3.14Å; A807-M883 HydrophobicContact CB-CB 3.84Å; A807-M883 HydrophobicContact CB-CG 4.2Å
808H92.7Very high96.1Very high55 Ų5524.4 Ų24.426%0.25515%0.146SC..SBendtrans-132.7133.3-174.7-170.4-91.3000111.6G810 L811H808-G810 PolarHBondContact ND1-N 3.49Å; H808-G810 PolarHBondContact O-N 2.94Å; H808-G810 VanDerWaalsContact O-N 3.08Å; H808-L811 PolarHBondContact O-N 2.66Å
809P92.9Very high96.1Very high44 Ų4419.6 Ų19.629%0.28612%0.12SC..G310 helixtrans-55-32.7-178.7-28.435.4000114.1I532 L811 V812I532-P809 HydrophobicContact CD1-CB 4.34Å; I532-P809 HydrophobicContact CD1-CG 3.8Å; P809-L811 PolarHBondContact O-N 3.46Å; P809-V812 WeakPolarHBondContact O-CB 3.5Å; P809-V812 PolarHBondContact O-N 3.34Å; P809-V812 VanDerWaalsContact O-N 3.14Å
810G91.1Very high96.2Very high40 Ų4022.2 Ų22.241%0.41213%0.134SC..G310 helixtrans-63.1-17.6177.500000115.1H808H808-G810 PolarHBondContact ND1-N 3.49Å; H808-G810 PolarHBondContact O-N 2.94Å; H808-G810 VanDerWaalsContact O-N 3.08Å
811L93.9Very high96.2Very high0 Ų029.4 Ų29.40%017%0.165CC..G310 helixtrans-91.5-15.7176.4-66.6-177000113.5S770 F772 L786 V806 H808 P809 V814 A815S770-L811 WeakPolarHBondContact O-CD1 3.48Å; F772-L811 HydrophobicContact CB-CD1 4.18Å; F772-L811 HydrophobicContact CD1-CD2 4.31Å; F772-L811 VanDerWaalsContact O-CD1 3.3Å; F772-L811 WeakPolarHBondContact O-CD1 3.32Å; L786-L811 HydrophobicContact CD2-CD2 3.69Å; V806-L811 HydrophobicContact CB-CB 4Å; V806-L811 HydrophobicContact CG1-CB 3.81Å; H808-L811 PolarHBondContact O-N 2.66Å; P809-L811 PolarHBondContact O-N 3.46Å; L811-V814 PolarHBondContact O-N 3.32Å; L811-A815 PolarHBondContact O-N 3.16Å
812V96.2Very high96Very high4 Ų430.8 Ų30.82%0.02418%0.178CC..Hα-helixtrans-56.2-48.5-178.5173.20000111.8V530 I532 A549 V806 P809 V814 A815 M816V530-V812 HydrophobicContact CG1-CG1 4.26Å; V530-V812 HydrophobicContact CG1-CG2 4.39Å; I532-V812 HydrophobicContact CD1-CG2 4.37Å; A549-V812 HydrophobicContact CB-CG1 4.27Å; A549-V812 HydrophobicContact CB-CG2 4.18Å; V806-V812 HydrophobicContact CG2-CG2 3.64Å; P809-V812 WeakPolarHBondContact O-CB 3.5Å; P809-V812 PolarHBondContact O-N 3.34Å; P809-V812 VanDerWaalsContact O-N 3.14Å; V812-V814 VanDerWaalsContact C-N 3.27Å; V812-V814 PolarHBondContact O-N 3.02Å; V812-A815 PolarHBondContact O-N 3Å; V812-M816 HydrophobicContact CG1-CE 4.21Å; V812-M816 WeakPolarHBondContact O-CB 3.48Å; V812-M816 PolarHBondContact O-N 3.4Å
813P95.8Very high95.9Very high83 Ų8330.9 Ų30.954%0.53918%0.178SC..Hα-helixtrans-61.6-34.9-179.1-23.835.2000113.4D817P813-D817 WeakPolarHBondContact O-CB 3.4Å; P813-D817 PolarHBondContact O-N 3.03Å
814V94.3Very high95.8Very high26 Ų2635.7 Ų35.716%0.15821%0.21CC..Hα-helixtrans-70.2-50.2-179-179.60000110.4L786 R790 L811 V812 M816 D817 I818L786-V814 HydrophobicContact CD2-CG2 4.02Å; R790-V814 HydrophobicContact CG-CG1 3.96Å; L811-V814 PolarHBondContact O-N 3.32Å; V812-V814 VanDerWaalsContact C-N 3.27Å; V812-V814 PolarHBondContact O-N 3.02Å; V814-M816 VanDerWaalsContact C-N 3.28Å; V814-M816 PolarHBondContact O-N 2.79Å; V814-D817 PolarHBondContact O-N 2.89Å; V814-I818 HydrophobicContact CG1-CD1 4.31Å; V814-I818 WeakPolarHBondContact O-CD1 3.46Å; V814-I818 WeakPolarHBondContact O-CG1 3.3Å; V814-I818 PolarHBondContact O-N 3.36Å
815A96.5Very high95.7Very high0 Ų041.8 Ų41.80%024%0.238CC..Hα-helixtrans-62.4-38.7176.300000111.6V530 T804 V806 L811 V812 I818 F819V530-A815 HydrophobicContact CG1-CB 4.15Å; V530-A815 HydrophobicContact CG2-CB 3.7Å; T804-A815 HydrophobicContact CG2-CB 3.99Å; V806-A815 HydrophobicContact CG1-CB 4.01Å; L811-A815 PolarHBondContact O-N 3.16Å; V812-A815 PolarHBondContact O-N 3Å; A815-I818 PolarHBondContact O-N 3.36Å; A815-F819 PolarHBondContact O-N 3.21Å; A815-F819 VanDerWaalsContact O-N 3.08Å
816M97.5Very high95.7Very high28 Ų2843.9 Ų43.914%0.13825%0.253CS..Hα-helixtrans-63.6-45.1179.9-168.770.267.300111.7R529 V530 G548 K550 V812 V814 I818 F819 N820R529-M816 WeakPolarHBondContact CD-SD 3.43Å; R529-M816 HydrophobicContact CG-CE 4.36Å; R529-M816 HydrophobicContact CG-SD 3.49Å; R529-M816 WeakPolarHBondContact CG-SD 3.46Å; V530-M816 HydrophobicContact CB-CE 3.9Å; V530-M816 HydrophobicContact CG2-CB 4.13Å; V530-M816 HydrophobicContact CG2-CE 3.98Å; V530-M816 HydrophobicContact CG2-SD 4.18Å; G548-M816 VanDerWaalsContact O-CE 3.28Å; G548-M816 WeakPolarHBondContact O-CE 3.29Å; K550-M816 HydrophobicContact CG-CE 4.42Å; V812-M816 HydrophobicContact CG1-CE 4.21Å; V812-M816 WeakPolarHBondContact O-CB 3.48Å; V812-M816 PolarHBondContact O-N 3.4Å; V814-M816 VanDerWaalsContact C-N 3.28Å; V814-M816 PolarHBondContact O-N 2.79Å; M816-I818 VanDerWaalsContact C-N 3.35Å; M816-I818 PolarHBondContact O-N 3.34Å; M816-F819 PolarHBondContact O-N 3.24Å; M816-N820 VanDerWaalsContact O-CB 3.22Å; M816-N820 WeakPolarHBondContact O-CB 3.24Å; M816-N820 PolarHBondContact O-N 2.98Å; M816-N820 PolarHBondContact O-ND2 2.77Å; M816-N820 PolarHBondContact O-OD1 2.85Å
817D97Very high95.7Very high75 Ų7545 Ų4540%0.40126%0.259SS..Hα-helixtrans-60.5-43.3178.3-179.958.8000112.2P813 V814 N820 K821P813-D817 WeakPolarHBondContact O-CB 3.4Å; P813-D817 PolarHBondContact O-N 3.03Å; V814-D817 PolarHBondContact O-N 2.89Å; D817-N820 PolarHBondContact O-N 3.3Å; D817-K821 VanDerWaalsContact CG-NZ 3.33Å; D817-K821 WeakPolarHBondContact O-CG 3.31Å; D817-K821 PolarHBondContact O-N 3.38Å; D817-K821 VanDerWaalsContact O-N 3.11Å; D817-K821 WeakPolarHBondContact OD1-CE 3.39Å; D817-K821 IonicContact OD1-NZ 3.78Å; D817-K821 PolarHBondContact OD1-NZ 3.37Å; D817-K821 WeakPolarHBondContact OD2-CE 3.5Å; D817-K821 IonicContact OD2-NZ 3.42Å; D817-K821 PolarHBondContact OD2-NZ 3.2Å
818I97.1Very high95.9Very high9 Ų945.6 Ų45.65%0.04626%0.26CS..Hα-helixtrans-63.1-52.4178.9-64.6163.3000110.9R790 K793 E794 V814 A815 M816 N820 K821 A822R790-I818 HydrophobicContact CB-CD1 4.13Å; R790-I818 HydrophobicContact CG-CD1 3.93Å; K793-I818 HydrophobicContact CB-CD1 3.69Å; K793-I818 HydrophobicContact CB-CG2 4.09Å; K793-I818 HydrophobicContact CG-CD1 4.47Å; E794-I818 HydrophobicContact CB-CG2 4.31Å; E794-I818 HydrophobicContact CG-CG1 4.44Å; E794-I818 HydrophobicContact CG-CG2 3.63Å; V814-I818 HydrophobicContact CG1-CD1 4.31Å; V814-I818 WeakPolarHBondContact O-CD1 3.46Å; V814-I818 WeakPolarHBondContact O-CG1 3.3Å; V814-I818 PolarHBondContact O-N 3.36Å; A815-I818 PolarHBondContact O-N 3.36Å; M816-I818 VanDerWaalsContact C-N 3.35Å; M816-I818 PolarHBondContact O-N 3.34Å; I818-N820 VanDerWaalsContact C-N 3.34Å; I818-N820 PolarHBondContact O-N 3.03Å; I818-K821 PolarHBondContact O-N 2.9Å; I818-A822 PolarHBondContact O-N 2.85Å
819F98.1Very high96.1Very high0 Ų045 Ų450%026%0.259CS..Hα-helixtrans-67.1-34.7179.8-88.1-101.2000111.8R529 K793 E796 A797 H801 G803 T804 A815 M816 K821 M823R529-F819 HydrophobicContact CB-CB 3.98Å; R529-F819 HydrophobicContact CB-CD1 4.29Å; R529-F819 HydrophobicContact CB-CG 4.39Å; R529-F819 HydrophobicContact CG-CB 4.47Å; K793-F819 HydrophobicContact CB-CE2 4.26Å; E796-F819 HydrophobicContact CB-CZ 4.35Å; A797-F819 HydrophobicContact CB-CD1 4.19Å; A797-F819 HydrophobicContact CB-CD2 4.37Å; A797-F819 HydrophobicContact CB-CE1 4Å; A797-F819 HydrophobicContact CB-CE2 4.17Å; A797-F819 HydrophobicContact CB-CG 4.38Å; A797-F819 HydrophobicContact CB-CZ 4Å; H801-F819 HydrophobicContact CB-CZ 4.49Å; G803-F819 VanDerWaalsContact CA-CE1 3.45Å; T804-F819 HydrophobicContact CG2-CD2 3.8Å; T804-F819 HydrophobicContact CG2-CE2 3.32Å; T804-F819 HydrophobicContact CG2-CZ 3.93Å; A815-F819 PolarHBondContact O-N 3.21Å; A815-F819 VanDerWaalsContact O-N 3.08Å; M816-F819 PolarHBondContact O-N 3.24Å; F819-K821 VanDerWaalsContact C-N 3.27Å; F819-K821 PolarHBondContact O-N 3.15Å; F819-M823 HydrophobicContact CD1-CE 4.34Å; F819-M823 HydrophobicContact CD1-SD 4.39Å; F819-M823 CarbonylContact O-C 3.58Å; F819-M823 VanDerWaalsContact O-CA 3.24Å; F819-M823 WeakPolarHBondContact O-CA 3.23Å; F819-M823 VanDerWaalsContact O-CB 3.24Å; F819-M823 WeakPolarHBondContact O-CB 3.48Å; F819-M823 PolarHBondContact O-N 2.94Å; F819-M823 VanDerWaalsContact O-O 3.14Å
820N97.6Very high96.2Very high74 Ų7446.5 Ų46.540%0.39628%0.281SS..Hα-helixtrans-60.4-37.9174-73.2-13.4000112.5R529 M816 D817 I818R529-N820 WeakPolarHBondContact CD-OD1 3.33Å; R529-N820 PolarHBondContact NH1-OD1 3.29Å; M816-N820 VanDerWaalsContact O-CB 3.22Å; M816-N820 WeakPolarHBondContact O-CB 3.24Å; M816-N820 PolarHBondContact O-N 2.98Å; M816-N820 PolarHBondContact O-ND2 2.77Å; M816-N820 PolarHBondContact O-OD1 2.85Å; D817-N820 PolarHBondContact O-N 3.3Å; I818-N820 VanDerWaalsContact C-N 3.34Å; I818-N820 PolarHBondContact O-N 3.03Å
821K96.5Very high96.4Very high150 Ų15047.8 Ų47.865%0.65228%0.276SS*.Hα-helixtrans-74.5-47.9178.9-72.8167.7178.9166.50112.3D817 I818 F819D817-K821 VanDerWaalsContact CG-NZ 3.33Å; D817-K821 WeakPolarHBondContact O-CG 3.31Å; D817-K821 PolarHBondContact O-N 3.38Å; D817-K821 VanDerWaalsContact O-N 3.11Å; D817-K821 WeakPolarHBondContact OD1-CE 3.39Å; D817-K821 IonicContact OD1-NZ 3.78Å; D817-K821 PolarHBondContact OD1-NZ 3.37Å; D817-K821 WeakPolarHBondContact OD2-CE 3.5Å; D817-K821 IonicContact OD2-NZ 3.42Å; D817-K821 PolarHBondContact OD2-NZ 3.2Å; I818-K821 PolarHBondContact O-N 2.9Å; F819-K821 VanDerWaalsContact C-N 3.27Å; F819-K821 PolarHBondContact O-N 3.15Å
822A95.1Very high96.5Very high34 Ų3452.4 Ų52.428%0.28130%0.297SS..Hα-helixtrans-80-27.1-176.100000113.3A797 I818A797-A822 HydrophobicContact CB-CB 3.61Å; I818-A822 PolarHBondContact O-N 2.85Å
823M97.1Very high96.5Very high2 Ų253.9 Ų53.91%0.0131%0.305CS..  trans-129.879.6-177.2-176.8-17586.800110.1R529 D802 F819 Q825 P826 N827 Q828R529-M823 HydrophobicContact CB-CE 3.45Å; R529-M823 VanDerWaalsContact CB-CE 3.45Å; R529-M823 PolarHBondContact NH1-O 3.44Å; D802-M823 WeakPolarHBondContact O-CE 3.46Å; F819-M823 HydrophobicContact CD1-CE 4.34Å; F819-M823 HydrophobicContact CD1-SD 4.39Å; F819-M823 CarbonylContact O-C 3.58Å; F819-M823 VanDerWaalsContact O-CA 3.24Å; F819-M823 WeakPolarHBondContact O-CA 3.23Å; F819-M823 VanDerWaalsContact O-CB 3.24Å; F819-M823 WeakPolarHBondContact O-CB 3.48Å; F819-M823 PolarHBondContact O-N 2.94Å; F819-M823 VanDerWaalsContact O-O 3.14Å; M823-Q825 PolarHBondContact O-N 3.41Å; M823-Q825 VanDerWaalsContact O-O 3.12Å; M823-P826 VanDerWaalsContact CE-O 3.29Å; M823-P826 WeakPolarHBondContact CE-O 3.35Å; M823-N827 VanDerWaalsContact SD-CA 3.54Å; M823-Q828 HydrophobicContact CB-CG 4.03Å; M823-Q828 HydrophobicContact CG-CG 3.44Å; M823-Q828 VanDerWaalsContact CG-CG 3.44Å; M823-Q828 HydrophobicContact SD-CG 3.64Å
824P95.3Very high96.2Very high101 Ų10153.4 Ų53.466%0.65631%0.308SS*.  trans-69.3-21.8179.226.7-34.5000113.2
825Q96.5Very high96.1Very high128 Ų12860.1 Ų60.160%0.59834%0.343SS*.SBendtrans-79.3167.7173.2-62-55.9-37.500110.9R529 M823 N827R529-Q825 PolarHBondContact NH2-O 2.96Å; M823-Q825 PolarHBondContact O-N 3.41Å; M823-Q825 VanDerWaalsContact O-O 3.12Å; Q825-N827 WeakPolarHBondContact CB-O 3.26Å; Q825-N827 PolarHBondContact O-N 3.39Å
826P97.3Very high96.1Very high56 Ų5662.4 Ų62.436%0.36435%0.353SS..SBendtrans-57.5-31.3174.4-28.337.7000114D527 M823D527-P826 WeakPolarHBondContact CA-O 3.36Å; D527-P826 HydrophobicContact CB-CB 4.1Å; M823-P826 VanDerWaalsContact CE-O 3.29Å; M823-P826 WeakPolarHBondContact CE-O 3.35Å
827N98.2Very high95.8Very high25 Ų2565 Ų6513%0.13438%0.379CS..  trans-156.6175.9-178.356.159.5000110.2Q526 H764 D802 M823 Q825 L829Q526-N827 PolarHBondContact O-ND2 3.3Å; H764-N827 PolarHBondContact NE2-ND2 3.29Å; D802-N827 HydrophobicContact CB-CB 4.15Å; D802-N827 WeakPolarHBondContact OD1-CB 3.42Å; M823-N827 VanDerWaalsContact SD-CA 3.54Å; Q825-N827 WeakPolarHBondContact CB-O 3.26Å; Q825-N827 PolarHBondContact O-N 3.39Å; N827-L829 WeakPolarHBondContact OD1-CG 3.43Å
828Q97.7Very high95.7Very high24 Ų2462.4 Ų62.411%0.11237%0.366CS..  trans-112.425-178.7-61.4-167.4102.700113.7H759 A797 G800 H801 D802 M823 G830 K831H759-Q828 PolarHBondContact CE1-O 2.89Å; H759-Q828 PolarHBondContact ND1-O 3.09Å; A797-Q828 PolarHBondContact O-NE2 2.99Å; A797-Q828 PolarHBondContact O-OE1 2.59Å; G800-Q828 VanDerWaalsContact CA-NE2 3.28Å; H801-Q828 PolarHBondContact O-NE2 2.89Å; D802-Q828 WeakPolarHBondContact OD1-CA 3.16Å; D802-Q828 PolarHBondContact OD1-N 3.11Å; M823-Q828 HydrophobicContact CB-CG 4.03Å; M823-Q828 HydrophobicContact CG-CG 3.44Å; M823-Q828 VanDerWaalsContact CG-CG 3.44Å; M823-Q828 HydrophobicContact SD-CG 3.64Å; Q828-G830 PolarHBondContact O-N 3.33Å; Q828-K831 HydrophobicContact CB-CB 4.17Å; Q828-K831 VanDerWaalsContact O-CB 3.26Å; Q828-K831 WeakPolarHBondContact O-CB 3.4Å; Q828-K831 PolarHBondContact O-N 3.12Å
829L96.7Very high95.6Very high43 Ų4370 Ų7023%0.22539%0.394CS..THydrogen-bonded Turntrans-51.5-27.5179.1-67.3177.1000114.3A763 D802 N827 K831 Q832A763-L829 WeakPolarHBondContact O-CD2 3.41Å; D802-L829 PolarHBondContact OD1-N 2.88Å; N827-L829 WeakPolarHBondContact OD1-CG 3.43Å; L829-K831 VanDerWaalsContact C-N 3.3Å; L829-K831 PolarHBondContact O-N 3.46Å; L829-Q832 PolarHBondContact O-NE2 3.25Å
830G94.5Very high95.4Very high74 Ų7470.8 Ų70.876%0.76340%0.401SS*.THydrogen-bonded Turntrans-73.2-14.2175.200000115.1Q828 Q832Q828-G830 PolarHBondContact O-N 3.33Å; G830-Q832 PolarHBondContact O-N 2.76Å; G830-Q832 VanDerWaalsContact O-N 3.1Å
831K96Very high95.4Very high68 Ų6870 Ų7030%0.29640%0.404SS..  trans-84.982.4-177.4-172.6166.3172.8177.40110.7H759 A797 N798 Q828 L829H759-K831 PolarHBondContact ND1-O 2.74Å; A797-K831 PolarHBondContact O-NZ 3.21Å; N798-K831 VanDerWaalsContact C-NZ 3.29Å; N798-K831 WeakPolarHBondContact O-CE 3.42Å; N798-K831 PolarHBondContact O-NZ 2.83Å; Q828-K831 HydrophobicContact CB-CB 4.17Å; Q828-K831 VanDerWaalsContact O-CB 3.26Å; Q828-K831 WeakPolarHBondContact O-CB 3.4Å; Q828-K831 PolarHBondContact O-N 3.12Å; L829-K831 VanDerWaalsContact C-N 3.3Å; L829-K831 PolarHBondContact O-N 3.46Å
832Q95.2Very high95.4Very high97 Ų9765.2 Ų65.245%0.45339%0.386SS..  trans-78.5135.6-179.8-59.6-64.7-37.800111.1H759 L829 G830 A834H759-Q832 PolarHBondContact O-NE2 3.15Å; L829-Q832 PolarHBondContact O-NE2 3.25Å; G830-Q832 PolarHBondContact O-N 2.76Å; G830-Q832 VanDerWaalsContact O-N 3.1Å; Q832-A834 PolarHBondContact O-N 3.3Å
833L95.8Very high95.4Very high34 Ų3463.6 Ų63.618%0.17837%0.372CS..  trans-99.756.9175.1-59.9-177.4000110.7K752 I755 K756 D835 F836K752-L833 HydrophobicContact CB-CD1 4.3Å; I755-L833 HydrophobicContact CB-CD1 3.97Å; I755-L833 HydrophobicContact CG2-CD1 3.69Å; I755-L833 HydrophobicContact CG2-CG 4.2Å; K756-L833 HydrophobicContact CB-CB 4.08Å; K756-L833 WeakPolarHBondContact CD-O 3.39Å; K756-L833 HydrophobicContact CG-CB 4.39Å; K756-L833 PolarHBondContact NZ-O 3.06Å; L833-D835 VanDerWaalsContact C-N 3.31Å; L833-D835 PolarHBondContact O-N 3.34Å; L833-F836 HydrophobicContact CB-CB 4.16Å; L833-F836 PolarHBondContact O-N 2.97Å
834A90.4Very high95.4Very high74 Ų7464 Ų6461%0.61238%0.375SS*.THydrogen-bonded Turntrans-56.3-44.7-172.700000112.3K756 Q832 F836K756-A834 PolarHBondContact NZ-O 3.04Å; Q832-A834 PolarHBondContact O-N 3.3Å; A834-F836 VanDerWaalsContact C-N 3.29Å; A834-F836 PolarHBondContact O-N 3.24Å
835D92.5Very high95.4Very high166 Ų16661 Ų6189%0.88836%0.358SS*.THydrogen-bonded Turntrans-75.7-12-175.6-54.8-37.7000114.2L833 A837L833-D835 VanDerWaalsContact C-N 3.31Å; L833-D835 PolarHBondContact O-N 3.34Å; D835-A837 PolarHBondContact O-N 3.37Å
836F95.6Very high95.3Very high49 Ų4957.7 Ų57.722%0.21535%0.347CS..  trans-83.899.2179.6-179.2-112.8000111A749 K752 K756 L833 A834 P838A749-F836 HydrophobicContact CB-CZ 4.32Å; K752-F836 HydrophobicContact CB-CD1 3.63Å; K752-F836 HydrophobicContact CB-CD2 4.48Å; K752-F836 HydrophobicContact CB-CE1 3.35Å; K752-F836 HydrophobicContact CB-CE2 4.25Å; K752-F836 HydrophobicContact CB-CG 4.21Å; K752-F836 HydrophobicContact CB-CZ 3.72Å; K752-F836 HydrophobicContact CD-CD2 4.15Å; K752-F836 HydrophobicContact CD-CE2 4.17Å; K752-F836 HydrophobicContact CD-CG 4.41Å; K752-F836 HydrophobicContact CD-CZ 4.44Å; K756-F836 HydrophobicContact CD-CD1 4.46Å; K756-F836 WeakPolarHBondContact CD-O 3.2Å; K756-F836 WeakPolarHBondContact CE-O 3.32Å; K756-F836 PolarHBondContact NZ-O 3.02Å; L833-F836 HydrophobicContact CB-CB 4.16Å; L833-F836 PolarHBondContact O-N 2.97Å; A834-F836 VanDerWaalsContact C-N 3.29Å; A834-F836 PolarHBondContact O-N 3.24Å; F836-P838 HydrophobicContact CD1-CG 4.3Å; F836-P838 HydrophobicContact CE1-CB 4.14Å; F836-P838 HydrophobicContact CE1-CG 3.61Å; F836-P838 HydrophobicContact CE2-CB 4.44Å; F836-P838 HydrophobicContact CZ-CB 3.78Å; F836-P838 HydrophobicContact CZ-CG 3.81Å; F836-P838 WeakPolarHBondContact O-CD 3.22Å
837A92.6Very high95.2Very high82 Ų8255.5 Ų55.568%0.67833%0.332SS*.  trans-117.780.7-178.900000111.6D835D835-A837 PolarHBondContact O-N 3.37Å
838P94Very high95Very high20 Ų2058.8 Ų58.813%0.1336%0.363CS..  trans-70151.3178.231.2-35.6000111.4Y753 F836 D842 F843Y753-P838 HydrophobicContact CD2-CG 3.62Å; Y753-P838 HydrophobicContact CE2-CG 4.25Å; Y753-P838 HydrophobicContact CG-CG 4.16Å; F836-P838 HydrophobicContact CD1-CG 4.3Å; F836-P838 HydrophobicContact CE1-CB 4.14Å; F836-P838 HydrophobicContact CE1-CG 3.61Å; F836-P838 HydrophobicContact CE2-CB 4.44Å; F836-P838 HydrophobicContact CZ-CB 3.78Å; F836-P838 HydrophobicContact CZ-CG 3.81Å; F836-P838 WeakPolarHBondContact O-CD 3.22Å; P838-D842 HydrophobicContact CB-CB 4.49Å; P838-F843 HydrophobicContact CB-CE1 4.12Å; P838-F843 HydrophobicContact CB-CE2 4.25Å; P838-F843 HydrophobicContact CB-CZ 3.65Å; P838-F843 HydrophobicContact CG-CE1 4.14Å; P838-F843 HydrophobicContact CG-CE2 4.29Å; P838-F843 HydrophobicContact CG-CZ 3.47Å; P838-F843 VanDerWaalsContact CG-CZ 3.47Å
839R94.6Very high94.9Very high170 Ų17059.7 Ų59.764%0.64238%0.379SS*.  trans-96.7158.5169.8-59.5172.5-61.7169.96.7109.6A841 D842R839-A841 PolarHBondContact O-N 2.97Å; R839-A841 VanDerWaalsContact O-N 3.17Å; R839-D842 PolarHBondContact N-OD2 3.43Å; R839-D842 IonicContact NE-OD1 2.71Å; R839-D842 IonicContact NE-OD2 2.71Å; R839-D842 IonicContact NH2-OD1 2.75Å; R839-D842 PolarHBondContact NH2-OD1 2.89Å; R839-D842 WeakPolarHBondContact O-CB 3.37Å; R839-D842 PolarHBondContact O-N 3.36Å
840A95.2Very high94.9Very high16 Ų1659.7 Ų59.713%0.13238%0.383CS..G310 helixtrans-49.2-43.3175.800000113.3D503 F695 D842 F843D503-A840 VanDerWaalsContact OD1-CB 3.3Å; D503-A840 WeakPolarHBondContact OD1-CB 2.96Å; F695-A840 HydrophobicContact CE1-CB 3.79Å; A840-D842 PolarHBondContact O-N 2.94Å; A840-F843 PolarHBondContact O-N 3.38Å; A840-F843 VanDerWaalsContact O-N 3.17Å
841A95.7Very high95Very high57 Ų5758.6 Ų58.647%0.47136%0.355SS..G310 helixtrans-59.8-26.7177.800000113.9R839 F843 I844 A845R839-A841 PolarHBondContact O-N 2.97Å; R839-A841 VanDerWaalsContact O-N 3.17Å; A841-F843 VanDerWaalsContact C-N 3.27Å; A841-F843 PolarHBondContact O-N 3.2Å; A841-I844 PolarHBondContact O-N 3.47Å; A841-A845 PolarHBondContact O-N 3.26Å
842D96.8Very high95.1Very high49 Ų4956.9 Ų56.926%0.26235%0.35SS..G310 helixtrans-72-23.9-178.1-55.2-34.2000111.3F746 A749 P838 R839 A840F746-D842 WeakPolarHBondContact CA-O 3.37Å; F746-D842 VanDerWaalsContact CB-O 3.3Å; F746-D842 WeakPolarHBondContact CB-O 3.36Å; A749-D842 HydrophobicContact CB-CB 4.2Å; P838-D842 HydrophobicContact CB-CB 4.49Å; R839-D842 PolarHBondContact N-OD2 3.43Å; R839-D842 IonicContact NE-OD1 2.71Å; R839-D842 IonicContact NE-OD2 2.71Å; R839-D842 IonicContact NH2-OD1 2.75Å; R839-D842 PolarHBondContact NH2-OD1 2.89Å; R839-D842 WeakPolarHBondContact O-CB 3.37Å; R839-D842 PolarHBondContact O-N 3.36Å; A840-D842 PolarHBondContact O-N 2.94Å
843F96.7Very high95.2Very high0 Ų054.8 Ų54.80%034%0.341CS..G310 helixtrans-84.4-13.4178.6-55.3-62.1000114.5F504 T694 F695 F746 A749 Y753 P838 A840 A841F504-F843 HydrophobicContact CE2-CE2 4.29Å; F504-F843 AromaticContact CZ-CE2 3.69Å; F504-F843 HydrophobicContact CZ-CE2 3.69Å; F504-F843 HydrophobicContact CZ-CZ 4.4Å; T694-F843 HydrophobicContact CG2-CB 4.35Å; T694-F843 HydrophobicContact CG2-CD1 3.59Å; T694-F843 HydrophobicContact CG2-CD2 4.17Å; T694-F843 HydrophobicContact CG2-CE1 3.8Å; T694-F843 HydrophobicContact CG2-CE2 4.37Å; T694-F843 HydrophobicContact CG2-CG 3.77Å; T694-F843 HydrophobicContact CG2-CZ 4.17Å; F695-F843 AromaticContact CE1-CD2 3.99Å; F695-F843 HydrophobicContact CE1-CD2 3.99Å; F695-F843 HydrophobicContact CE2-CB 4.34Å; F695-F843 HydrophobicContact CZ-CB 3.93Å; F695-F843 HydrophobicContact CZ-CD2 4.08Å; F695-F843 HydrophobicContact CZ-CG 4.46Å; F746-F843 WeakPolarHBondContact CD2-O 3.29Å; A749-F843 HydrophobicContact CB-CD1 4.02Å; A749-F843 HydrophobicContact CB-CE1 4.07Å; Y753-F843 HydrophobicContact CD1-CE1 4.07Å; Y753-F843 HydrophobicContact CD1-CE2 4.5Å; Y753-F843 AromaticContact CD1-CZ 3.65Å; Y753-F843 HydrophobicContact CD1-CZ 3.65Å; Y753-F843 HydrophobicContact CD2-CZ 4.12Å; Y753-F843 HydrophobicContact CE1-CZ 4.24Å; Y753-F843 AromaticContact CG-CE1 3.95Å; Y753-F843 HydrophobicContact CG-CE1 3.95Å; Y753-F843 AromaticContact CG-CZ 3.6Å; Y753-F843 HydrophobicContact CG-CZ 3.6Å; P838-F843 HydrophobicContact CB-CE1 4.12Å; P838-F843 HydrophobicContact CB-CE2 4.25Å; P838-F843 HydrophobicContact CB-CZ 3.65Å; P838-F843 HydrophobicContact CG-CE1 4.14Å; P838-F843 HydrophobicContact CG-CE2 4.29Å; P838-F843 HydrophobicContact CG-CZ 3.47Å; P838-F843 VanDerWaalsContact CG-CZ 3.47Å; A840-F843 PolarHBondContact O-N 3.38Å; A840-F843 VanDerWaalsContact O-N 3.17Å; A841-F843 VanDerWaalsContact C-N 3.27Å; A841-F843 PolarHBondContact O-N 3.2Å
844I95.6Very high95.3Very high12 Ų1259.6 Ų59.66%0.06236%0.362CS..SBendtrans-1177.8-176.865.6168.8000112.2L501 P502 M691 F695 Y722 F726 Y732 A841 T846L501-I844 HydrophobicContact CB-CD1 4.49Å; L501-I844 HydrophobicContact CD1-CD1 4.11Å; L501-I844 HydrophobicContact CD2-CD1 4.45Å; P502-I844 HydrophobicContact CG-CG2 3.93Å; M691-I844 HydrophobicContact SD-CG2 3.91Å; F695-I844 HydrophobicContact CE2-CG2 4.34Å; F695-I844 HydrophobicContact CZ-CG2 3.94Å; Y722-I844 PolarHBondContact OH-O 3.38Å; Y722-I844 VanDerWaalsContact OH-O 3.12Å; F726-I844 HydrophobicContact CE2-CB 3.98Å; F726-I844 HydrophobicContact CE2-CG2 3.94Å; F726-I844 HydrophobicContact CZ-CB 3.79Å; F726-I844 HydrophobicContact CZ-CD1 4.47Å; F726-I844 HydrophobicContact CZ-CG2 3.59Å; Y732-I844 HydrophobicContact CE1-CB 4.39Å; Y732-I844 HydrophobicContact CE1-CD1 4.35Å; Y732-I844 WeakPolarHBondContact CE1-O 3.36Å; A841-I844 PolarHBondContact O-N 3.47Å; I844-T846 PolarHBondContact O-N 2.76Å
845A94.9Very high95.6Very high38 Ų3856.3 Ų56.331%0.31434%0.335SS..PPolyproline II helixtrans-66.8124.1-178.100000111.4F746 A841F746-A845 HydrophobicContact CB-CB 4.32Å; F746-A845 WeakPolarHBondContact CD1-O 3.36Å; A841-A845 PolarHBondContact O-N 3.26Å
846T95.4Very high95.8Very high57 Ų5748.4 Ų48.435%0.3529%0.293SS..PPolyproline II helixtrans-65.8122.8176.5-50.60000110.5Y722 E731 L733 I844Y722-T846 WeakPolarHBondContact OH-CA 3.12Å; Y722-T846 PolarHBondContact OH-N 2.87Å; Y722-T846 PolarHBondContact OH-OG1 3.16Å; E731-T846 PolarHBondContact O-OG1 3.3Å; L733-T846 WeakPolarHBondContact O-CG2 3.4Å; I844-T846 PolarHBondContact O-N 2.76Å
847P95.5Very high95.9Very high10 Ų1049 Ų497%0.06529%0.294CS..PPolyproline II helixtrans-71.4145.6178.531.4-36.6000111.2L734 P735 V740 V744 F746L734-P847 HydrophobicContact CD2-CG 3.83Å; P735-P847 HydrophobicContact CG-CG 4.27Å; V740-P847 HydrophobicContact CG1-CG 4.27Å; V740-P847 HydrophobicContact CG2-CG 4.16Å; V744-P847 HydrophobicContact CB-CB 4.01Å; V744-P847 HydrophobicContact CG1-CB 4.27Å; V744-P847 HydrophobicContact CG2-CB 4.08Å; F746-P847 HydrophobicContact CD1-CG 4.43Å; F746-P847 HydrophobicContact CE1-CB 4.32Å; F746-P847 HydrophobicContact CE1-CG 3.9Å
848A93.6Very high96.1Very high95 Ų9548.3 Ų48.379%0.78527%0.274SS*.PPolyproline II helixtrans-70149.2168.400000110.8
849G95.5Very high96.3Very high42 Ų4247.5 Ų47.543%0.43327%0.268SS..  trans162.8-179.7175.300000112.2P735 Q739P735-G849 VanDerWaalsContact CB-C 3.49Å; Q739-G849 VanDerWaalsContact OE1-CA 3.3Å
850S96.7Very high96.5Very high44 Ų4439.4 Ų39.431%0.30824%0.238SC..  trans-109.8160.1177.659.90000111.8P735 D736 Q739P735-S850 WeakPolarHBondContact CA-O 3.47Å; P735-S850 VanDerWaalsContact CB-O 3.28Å; P735-S850 WeakPolarHBondContact CB-O 3.24Å; D736-S850 PolarHBondContact N-O 3.32Å; Q739-S850 PolarHBondContact NE2-O 3.17Å; Q739-S850 VanDerWaalsContact NE2-O 3.07Å; Q739-S850 PolarHBondContact NE2-OG 2.84Å
851R97.5Very high96.6Very high51 Ų5138.7 Ų38.719%0.19223%0.232CC..  trans-108.6125.8165.6-64.8160.1-73.4-83.4-6.6107.2D736 W899 K905 L906 S907 I912D736-R851 VanDerWaalsContact OD1-CA 3.29Å; D736-R851 WeakPolarHBondContact OD1-CA 3.49Å; R851-W899 HydrophobicContact CB-CZ2 4.3Å; R851-W899 HydrophobicContact CG-CD2 4.36Å; R851-W899 HydrophobicContact CG-CZ2 3.74Å; R851-K905 PolarHBondContact NE-O 3.19Å; R851-L906 CarbonylContact O-C 3.51Å; R851-L906 VanDerWaalsContact O-CA 3.24Å; R851-L906 WeakPolarHBondContact O-CA 3.24Å; R851-S907 PolarHBondContact O-N 3.17Å; R851-I912 HydrophobicContact CB-CD1 4.25Å
852T97.8Very high96.6Very high31 Ų3136 Ų3619%0.1921%0.209CC..  trans-119.1157.1-173.6650000111.6D736 E854 G855 L856 L906D736-T852 PolarHBondContact OD1-N 2.95Å; D736-T852 WeakPolarHBondContact OD2-CB 3.21Å; D736-T852 WeakPolarHBondContact OD2-CG2 3.48Å; D736-T852 PolarHBondContact OD2-N 3.15Å; D736-T852 VanDerWaalsContact OD2-N 3.11Å; D736-T852 PolarHBondContact OD2-OG1 3.3Å; T852-E854 PolarHBondContact O-N 3.29Å; T852-G855 PolarHBondContact O-N 2.85Å; T852-G855 PolarHBondContact OG1-N 2.85Å; T852-L856 PolarHBondContact O-N 3.01Å; T852-L906 VanDerWaalsContact C-CD2 3.5Å
853E97Very high96.7Very high54 Ų5433.7 Ų33.725%0.25220%0.197SC..Hα-helixtrans-63.3-32.7173.2-177.1172.8164.100110.5L856 R857 L906 R910E853-L856 WeakPolarHBondContact O-CB 3.37Å; E853-L856 PolarHBondContact O-N 3.3Å; E853-R857 HydrophobicContact CG-CG 4.35Å; E853-R857 WeakPolarHBondContact O-CB 3.29Å; E853-R857 WeakPolarHBondContact O-CG 3.4Å; E853-R857 PolarHBondContact O-N 2.81Å; E853-R857 IonicContact OE1-CZ 3.24Å; E853-R857 VanDerWaalsContact OE1-CZ 3.32Å; E853-R857 IonicContact OE1-NE 3.64Å; E853-R857 PolarHBondContact OE1-NE 3.32Å; E853-R857 IonicContact OE1-NH2 3.76Å; E853-R857 PolarHBondContact OE1-NH2 3.14Å; E853-L906 HydrophobicContact CB-CD1 4.25Å; E853-R910 IonicContact OE2-CZ 2.84Å; E853-R910 VanDerWaalsContact OE2-CZ 3.29Å; E853-R910 IonicContact OE2-NH1 2.72Å; E853-R910 PolarHBondContact OE2-NH1 3.45Å; E853-R910 IonicContact OE2-NH2 3.06Å; E853-R910 PolarHBondContact OE2-NH2 2.91Å
854E97Very high96.7Very high135 Ų13533.7 Ų33.763%0.63120%0.197SC*.Hα-helixtrans-62.2-48.5173.9-175.2175-177.800111.6T852 L856 R857 R858T852-E854 PolarHBondContact O-N 3.29Å; E854-L856 VanDerWaalsContact C-N 3.32Å; E854-L856 PolarHBondContact O-N 3.36Å; E854-R857 PolarHBondContact O-N 2.7Å; E854-R858 VanDerWaalsContact O-CB 3.26Å; E854-R858 WeakPolarHBondContact O-CB 3.35Å; E854-R858 PolarHBondContact O-N 3.49Å
855G96.7Very high96.7Very high4 Ų433.3 Ų33.34%0.04120%0.197CC..Hα-helixtrans-59.7-41.2175.300000112.7T852 R858 N859T852-G855 PolarHBondContact O-N 2.85Å; T852-G855 PolarHBondContact OG1-N 2.85Å; G855-R858 PolarHBondContact O-N 2.72Å; G855-N859 WeakPolarHBondContact O-CB 3.48Å; G855-N859 PolarHBondContact O-N 3.32Å
856L97.9Very high96.8Very high0 Ų031.5 Ų31.50%018%0.182CC..Hα-helixtrans-58.6-53.7173.2-173.691.7000112T852 E853 E854 R858 N859 V860 L896 W899 I912 L916 V917 V920T852-L856 PolarHBondContact O-N 3.01Å; E853-L856 WeakPolarHBondContact O-CB 3.37Å; E853-L856 PolarHBondContact O-N 3.3Å; E854-L856 VanDerWaalsContact C-N 3.32Å; E854-L856 PolarHBondContact O-N 3.36Å; L856-R858 VanDerWaalsContact C-N 3.33Å; L856-R858 PolarHBondContact O-N 3.41Å; L856-N859 PolarHBondContact O-N 3.27Å; L856-V860 PolarHBondContact O-N 2.67Å; L856-V860 VanDerWaalsContact O-N 3.11Å; L856-L896 HydrophobicContact CD1-CD2 3.66Å; L856-L896 HydrophobicContact CG-CD2 4.2Å; L856-W899 HydrophobicContact CB-CZ3 4.33Å; L856-W899 HydrophobicContact CD1-CE3 3.88Å; L856-W899 HydrophobicContact CD1-CZ3 4.05Å; L856-I912 HydrophobicContact CD1-CG2 3.63Å; L856-L916 HydrophobicContact CD2-CD2 4.29Å; L856-L916 HydrophobicContact CD2-CG 4.18Å; L856-V917 HydrophobicContact CD1-CG2 4.2Å; L856-V920 HydrophobicContact CD2-CB 4.43Å; L856-V920 HydrophobicContact CD2-CG2 3.75Å
857R98Very high96.8Very high62 Ų6228.9 Ų28.923%0.23417%0.165CC..Hα-helixtrans-61.7-42.1179.3-74.6-178.1178.9-76.8-5111.5E853 E854 N859 V860 S861 V920 E923 E924E853-R857 HydrophobicContact CG-CG 4.35Å; E853-R857 WeakPolarHBondContact O-CB 3.29Å; E853-R857 WeakPolarHBondContact O-CG 3.4Å; E853-R857 PolarHBondContact O-N 2.81Å; E853-R857 IonicContact OE1-CZ 3.24Å; E853-R857 VanDerWaalsContact OE1-CZ 3.32Å; E853-R857 IonicContact OE1-NE 3.64Å; E853-R857 PolarHBondContact OE1-NE 3.32Å; E853-R857 IonicContact OE1-NH2 3.76Å; E853-R857 PolarHBondContact OE1-NH2 3.14Å; E854-R857 PolarHBondContact O-N 2.7Å; R857-N859 PolarHBondContact O-N 2.84Å; R857-V860 PolarHBondContact O-N 2.96Å; R857-S861 WeakPolarHBondContact O-CB 3.26Å; R857-S861 PolarHBondContact O-N 2.75Å; R857-V920 HydrophobicContact CB-CG1 4.34Å; R857-V920 HydrophobicContact CG-CG1 3.7Å; R857-E923 IonicContact CZ-OE2 2.81Å; R857-E923 IonicContact NH1-OE2 2.73Å; R857-E923 PolarHBondContact NH1-OE2 3.41Å; R857-E923 IonicContact NH2-OE2 2.76Å; R857-E923 PolarHBondContact NH2-OE2 3.13Å; R857-E924 IonicContact NH1-OE1 2.63Å
858R96.9Very high96.8Very high68 Ų6828.9 Ų28.926%0.25717%0.165SC..Hα-helixtrans-59.7-46.2177-179.166.473.3137.610.2111.4E854 G855 L856 V860 S861 V862E854-R858 VanDerWaalsContact O-CB 3.26Å; E854-R858 WeakPolarHBondContact O-CB 3.35Å; E854-R858 PolarHBondContact O-N 3.49Å; G855-R858 PolarHBondContact O-N 2.72Å; L856-R858 VanDerWaalsContact C-N 3.33Å; L856-R858 PolarHBondContact O-N 3.41Å; R858-V860 PolarHBondContact O-N 3.42Å; R858-S861 PolarHBondContact O-N 3.33Å; R858-V862 HydrophobicContact CG-CG2 4.25Å; R858-V862 WeakPolarHBondContact O-CB 3.49Å; R858-V862 VanDerWaalsContact O-CG2 3.28Å; R858-V862 WeakPolarHBondContact O-CG2 3.06Å; R858-V862 PolarHBondContact O-N 3.2Å
859N97.9Very high96.8Very high2 Ų224.5 Ų24.51%0.01113%0.128CC..Hα-helixtrans-60.7-44.9177.6-77.5-12.7000111.9R737 G855 L856 R857 T863 S892 Q895 L896R737-N859 WeakPolarHBondContact CD-OD1 3.49Å; R737-N859 PolarHBondContact NE-OD1 3.45Å; G855-N859 WeakPolarHBondContact O-CB 3.48Å; G855-N859 PolarHBondContact O-N 3.32Å; L856-N859 PolarHBondContact O-N 3.27Å; R857-N859 PolarHBondContact O-N 2.84Å; N859-T863 WeakPolarHBondContact O-CB 3.32Å; N859-T863 PolarHBondContact O-N 3.34Å; N859-T863 VanDerWaalsContact O-N 3.11Å; N859-T863 PolarHBondContact O-OG1 2.7Å; N859-S892 PolarHBondContact OD1-OG 3.05Å; N859-Q895 PolarHBondContact ND2-OE1 2.99Å; N859-L896 HydrophobicContact CB-CD1 4.38Å; N859-L896 HydrophobicContact CB-CD2 4.13Å; N859-L896 HydrophobicContact CB-CG 4.15Å
860V98.3Very high96.9Very high0 Ų022.7 Ų22.70%011%0.108CC..Hα-helixtrans-60.9-52.7175.6169.90000110.8L856 R857 R858 V862 T863 L864 L896 V917 V920 I921 E924 L945L856-V860 PolarHBondContact O-N 2.67Å; L856-V860 VanDerWaalsContact O-N 3.11Å; R857-V860 PolarHBondContact O-N 2.96Å; R858-V860 PolarHBondContact O-N 3.42Å; V860-V862 PolarHBondContact O-N 3.14Å; V860-T863 PolarHBondContact O-N 2.95Å; V860-L864 HydrophobicContact CG1-CD1 3.86Å; V860-L864 HydrophobicContact CG1-CG 4.37Å; V860-L864 WeakPolarHBondContact O-CG 3.42Å; V860-L864 PolarHBondContact O-N 2.89Å; V860-L896 HydrophobicContact CG2-CD1 3.65Å; V860-L896 HydrophobicContact CG2-CD2 4.11Å; V860-V917 HydrophobicContact CG2-CG1 4.37Å; V860-V920 HydrophobicContact CB-CG1 4.05Å; V860-V920 HydrophobicContact CG1-CG1 4.21Å; V860-V920 HydrophobicContact CG2-CG1 3.9Å; V860-I921 HydrophobicContact CG1-CB 4.32Å; V860-I921 HydrophobicContact CG1-CG1 3.77Å; V860-I921 HydrophobicContact CG2-CG1 4.18Å; V860-E924 HydrophobicContact CB-CG 4.37Å; V860-E924 HydrophobicContact CG1-CB 3.87Å; V860-E924 HydrophobicContact CG1-CG 3.82Å; V860-L945 HydrophobicContact CG1-CD2 4.26Å
861S97.5Very high96.7Very high1 Ų120.7 Ų20.71%0.0079%0.094CC..Hα-helixtrans-64.7-41.7-173-149.90000112.8R857 R858 G865 Y880 E924 W928R857-S861 WeakPolarHBondContact O-CB 3.26Å; R857-S861 PolarHBondContact O-N 2.75Å; R858-S861 PolarHBondContact O-N 3.33Å; S861-G865 PolarHBondContact O-N 2.91Å; S861-Y880 VanDerWaalsContact CB-OH 3.24Å; S861-Y880 WeakPolarHBondContact CB-OH 3.37Å; S861-Y880 PolarHBondContact OG-OH 3Å; S861-E924 WeakPolarHBondContact CB-OE2 3.49Å; S861-E924 PolarHBondContact OG-OE2 3.06Å; S861-W928 PolarHBondContact O-NE1 2.78Å; S861-W928 PolarHBondContact OG-NE1 2.96Å
862V96.6Very high96.5Very high1 Ų124.7 Ų24.71%0.00611%0.109CC..Hα-helixtrans-65.2-43.7175.9170.50000111R858 V860 L864 G865 Y866 L879 Y880 T888R858-V862 HydrophobicContact CG-CG2 4.25Å; R858-V862 WeakPolarHBondContact O-CB 3.49Å; R858-V862 VanDerWaalsContact O-CG2 3.28Å; R858-V862 WeakPolarHBondContact O-CG2 3.06Å; R858-V862 PolarHBondContact O-N 3.2Å; V860-V862 PolarHBondContact O-N 3.14Å; V862-L864 PolarHBondContact O-N 2.68Å; V862-G865 PolarHBondContact O-N 3.43Å; V862-Y866 VanDerWaalsContact O-CB 3.26Å; V862-Y866 WeakPolarHBondContact O-CB 3.5Å; V862-Y866 PolarHBondContact O-N 3.42Å; V862-L879 HydrophobicContact CG1-CD1 4.13Å; V862-Y880 HydrophobicContact CG2-CD2 3.86Å; V862-Y880 HydrophobicContact CG2-CE2 3.68Å; V862-T888 HydrophobicContact CG1-CG2 3.58Å
863T97.5Very high96.3Very high0 Ų024 Ų240%011%0.108CC..Hα-helixtrans-64.1-42.3179.3-510000111.6N859 V860 M867 A889 S892 R893 L945N859-T863 WeakPolarHBondContact O-CB 3.32Å; N859-T863 PolarHBondContact O-N 3.34Å; N859-T863 VanDerWaalsContact O-N 3.11Å; N859-T863 PolarHBondContact O-OG1 2.7Å; V860-T863 PolarHBondContact O-N 2.95Å; T863-M867 HydrophobicContact CG2-CG 4.24Å; T863-M867 HydrophobicContact CG2-SD 3.59Å; T863-M867 VanDerWaalsContact CG2-SD 3.59Å; T863-M867 VanDerWaalsContact O-CB 3.28Å; T863-M867 WeakPolarHBondContact O-CB 3.23Å; T863-M867 WeakPolarHBondContact O-CG 3.43Å; T863-M867 PolarHBondContact O-N 3.08Å; T863-A889 HydrophobicContact CG2-CB 4.35Å; T863-S892 WeakPolarHBondContact OG1-CB 3.35Å; T863-R893 HydrophobicContact CG2-CB 4.32Å; T863-L945 HydrophobicContact CG2-CD1 3.71Å; T863-L945 HydrophobicContact CG2-CD2 4.29Å; T863-L945 HydrophobicContact CG2-CG 4.46Å
864L96.9Very high96.1Very high0 Ų024.4 Ų24.40%011%0.113CC..Hα-helixtrans-60.7-51.4175.4-72.3174.3000111.8V860 V862 Y866 E868 E924 V925 L938 A942 L945V860-L864 HydrophobicContact CG1-CD1 3.86Å; V860-L864 HydrophobicContact CG1-CG 4.37Å; V860-L864 WeakPolarHBondContact O-CG 3.42Å; V860-L864 PolarHBondContact O-N 2.89Å; V862-L864 PolarHBondContact O-N 2.68Å; L864-Y866 VanDerWaalsContact C-N 3.34Å; L864-Y866 PolarHBondContact O-N 2.9Å; L864-E868 VanDerWaalsContact O-CB 3.23Å; L864-E868 WeakPolarHBondContact O-CB 3.48Å; L864-E868 PolarHBondContact O-N 3.2Å; L864-E924 HydrophobicContact CD1-CB 3.81Å; L864-V925 HydrophobicContact CD1-CG2 3.95Å; L864-V925 HydrophobicContact CD2-CG2 4.36Å; L864-L938 HydrophobicContact CB-CD1 4.47Å; L864-A942 VanDerWaalsContact CD2-CA 3.47Å; L864-A942 HydrophobicContact CD2-CB 3.79Å; L864-L945 HydrophobicContact CD2-CD2 3.97Å; L864-L945 HydrophobicContact CG-CD2 3.97Å
865G95.3Very high96Very high5 Ų518 Ų185%0.0528%0.083CC..Hα-helixtrans-62.4-40.9-179.600000112.7S861 V862 A869S861-G865 PolarHBondContact O-N 2.91Å; V862-G865 PolarHBondContact O-N 3.43Å; G865-A869 PolarHBondContact O-N 3.16Å
866Y97.1Very high95.9Very high0 Ų018.6 Ų18.60%09%0.086CC..Hα-helixtrans-67-52.8177.8-176.6-91.6000111.6D558 V862 L864 E868 A869 W870 G875 V877 E884 D885 A886 A889D558-Y866 PolarHBondContact O-OH 2.91Å; V862-Y866 VanDerWaalsContact O-CB 3.26Å; V862-Y866 WeakPolarHBondContact O-CB 3.5Å; V862-Y866 PolarHBondContact O-N 3.42Å; L864-Y866 VanDerWaalsContact C-N 3.34Å; L864-Y866 PolarHBondContact O-N 2.9Å; Y866-E868 VanDerWaalsContact C-N 3.32Å; Y866-E868 PolarHBondContact O-N 2.96Å; Y866-A869 PolarHBondContact O-N 3.29Å; Y866-W870 HydrophobicContact CD1-CB 4.42Å; Y866-W870 HydrophobicContact CE1-CB 4.05Å; Y866-W870 AromaticContact CE1-CD1 3.75Å; Y866-W870 HydrophobicContact CE1-CG 4.12Å; Y866-W870 AromaticContact CZ-CD1 3.81Å; Y866-W870 WeakPolarHBondContact O-CB 3.48Å; Y866-W870 PolarHBondContact O-N 3.47Å; Y866-W870 VanDerWaalsContact OH-CD1 3.3Å; Y866-G875 VanDerWaalsContact CE2-O 3.26Å; Y866-G875 WeakPolarHBondContact CE2-O 3.48Å; Y866-G875 PolarHBondContact OH-O 3.48Å; Y866-V877 HydrophobicContact CD2-CB 4.03Å; Y866-V877 HydrophobicContact CD2-CG2 3.65Å; Y866-V877 HydrophobicContact CE2-CB 4.44Å; Y866-V877 HydrophobicContact CE2-CG2 3.78Å; Y866-E884 HydrophobicContact CD2-CB 4.34Å; Y866-D885 VanDerWaalsContact CE2-CA 3.47Å; Y866-D885 WeakPolarHBondContact CE2-O 3.27Å; Y866-A886 HydrophobicContact CE1-CB 4Å; Y866-A886 VanDerWaalsContact CZ-CA 3.42Å; Y866-A886 VanDerWaalsContact OH-CA 3.31Å; Y866-A886 WeakPolarHBondContact OH-CA 3.49Å; Y866-A886 WeakPolarHBondContact OH-CB 3.13Å; Y866-A886 PolarHBondContact OH-N 3.44Å; Y866-A889 HydrophobicContact CD1-CB 3.47Å; Y866-A889 VanDerWaalsContact CD1-CB 3.47Å; Y866-A889 HydrophobicContact CE1-CB 4.18Å; Y866-A889 HydrophobicContact CG-CB 3.91Å
867M95.7Very high95.8Very high2 Ų219 Ų191%0.019%0.088CC..Hα-helixtrans-64.6-35.4-177.6-77177.428.500112.8T863 W870 L871 A941 L944 L945 L958T863-M867 HydrophobicContact CG2-CG 4.24Å; T863-M867 HydrophobicContact CG2-SD 3.59Å; T863-M867 VanDerWaalsContact CG2-SD 3.59Å; T863-M867 VanDerWaalsContact O-CB 3.28Å; T863-M867 WeakPolarHBondContact O-CB 3.23Å; T863-M867 WeakPolarHBondContact O-CG 3.43Å; T863-M867 PolarHBondContact O-N 3.08Å; M867-W870 PolarHBondContact O-N 3.49Å; M867-L871 VanDerWaalsContact O-CB 3.29Å; M867-L871 WeakPolarHBondContact O-CB 3.28Å; M867-L871 VanDerWaalsContact O-CG 3.26Å; M867-L871 WeakPolarHBondContact O-CG 3.13Å; M867-L871 PolarHBondContact O-N 2.93Å; M867-A941 HydrophobicContact CB-CB 3.83Å; M867-A941 HydrophobicContact CE-CB 4.03Å; M867-A941 WeakPolarHBondContact CE-O 3.35Å; M867-L944 HydrophobicContact CE-CB 3.62Å; M867-L944 HydrophobicContact CE-CD2 3.79Å; M867-L944 HydrophobicContact CE-CG 3.75Å; M867-L945 HydrophobicContact CE-CB 4.41Å; M867-L958 HydrophobicContact CG-CD1 4.4Å
868E95.5Very high95.6Very high10 Ų1019.9 Ų19.95%0.04710%0.102CC..Hα-helixtrans-59.5-47.1174.3-170.8-75.5153.800111.2L864 Y866 R872 V933 S935 L938 A941L864-E868 VanDerWaalsContact O-CB 3.23Å; L864-E868 WeakPolarHBondContact O-CB 3.48Å; L864-E868 PolarHBondContact O-N 3.2Å; Y866-E868 VanDerWaalsContact C-N 3.32Å; Y866-E868 PolarHBondContact O-N 2.96Å; E868-R872 PolarHBondContact O-N 3.46Å; E868-R872 WeakPolarHBondContact OE1-CD 3.4Å; E868-R872 IonicContact OE1-CZ 3.18Å; E868-R872 IonicContact OE1-NE 2.65Å; E868-R872 PolarHBondContact OE1-NE 3.44Å; E868-R872 IonicContact OE1-NH2 3.34Å; E868-R872 IonicContact OE2-CZ 3.2Å; E868-R872 IonicContact OE2-NE 3.17Å; E868-R872 PolarHBondContact OE2-NE 3.32Å; E868-R872 VanDerWaalsContact OE2-NE 3.12Å; E868-R872 IonicContact OE2-NH2 3.32Å; E868-R872 PolarHBondContact OE2-NH2 3.01Å; E868-V933 HydrophobicContact CG-CG1 4.05Å; E868-S935 WeakPolarHBondContact OE1-CB 3.46Å; E868-S935 PolarHBondContact OE1-OG 3.2Å; E868-L938 HydrophobicContact CB-CD1 4.38Å; E868-L938 HydrophobicContact CG-CB 4.02Å; E868-L938 HydrophobicContact CG-CD1 4.29Å; E868-A941 HydrophobicContact CB-CB 4.33Å
869A94.6Very high95.4Very high3 Ų317 Ų173%0.0259%0.092CC..Hα-helixtrans-69-41.2178.100000112.1G865 Y866 L871 R872 G873 N874 V877G865-A869 PolarHBondContact O-N 3.16Å; Y866-A869 PolarHBondContact O-N 3.29Å; A869-L871 VanDerWaalsContact C-N 3.35Å; A869-L871 PolarHBondContact O-N 3.06Å; A869-R872 CarbonylContact O-C 3.49Å; A869-R872 WeakPolarHBondContact O-CA 3.37Å; A869-R872 WeakPolarHBondContact O-CB 3.23Å; A869-R872 PolarHBondContact O-N 3.38Å; A869-G873 PolarHBondContact O-N 3.24Å; A869-N874 CarbonylContact C-O 3.58Å; A869-N874 HydrophobicContact CB-CB 4.49Å; A869-N874 PolarHBondContact O-N 3.41Å; A869-V877 HydrophobicContact CB-CB 4.37Å; A869-V877 HydrophobicContact CB-CG1 3.74Å; A869-V877 HydrophobicContact CB-CG2 3.61Å
870W95.8Very high95Very high4 Ų420.5 Ų20.52%0.01511%0.106CC..Hα-helixtrans-61.5-43.1179.1-168.298.4000111.6N560 S561 P562 Y866 M867 R872 G873 N874 T959 A962 Y963 L966N560-W870 PolarHBondContact O-NE1 3.26Å; S561-W870 WeakPolarHBondContact CB-O 3.26Å; S561-W870 PolarHBondContact OG-O 3.23Å; P562-W870 HydrophobicContact CG-CH2 4.25Å; P562-W870 HydrophobicContact CG-CZ2 3.85Å; Y866-W870 HydrophobicContact CD1-CB 4.42Å; Y866-W870 HydrophobicContact CE1-CB 4.05Å; Y866-W870 AromaticContact CE1-CD1 3.75Å; Y866-W870 HydrophobicContact CE1-CG 4.12Å; Y866-W870 AromaticContact CZ-CD1 3.81Å; Y866-W870 WeakPolarHBondContact O-CB 3.48Å; Y866-W870 PolarHBondContact O-N 3.47Å; Y866-W870 VanDerWaalsContact OH-CD1 3.3Å; M867-W870 PolarHBondContact O-N 3.49Å; W870-R872 PolarHBondContact O-N 2.81Å; W870-G873 PolarHBondContact O-N 3.11Å; W870-N874 WeakPolarHBondContact CA-O 3.3Å; W870-N874 PolarHBondContact N-O 3Å; W870-N874 VanDerWaalsContact N-O 3.14Å; W870-T959 HydrophobicContact CZ2-CG2 4.26Å; W870-A962 HydrophobicContact CE3-CB 3.85Å; W870-A962 HydrophobicContact CH2-CB 3.89Å; W870-A962 VanDerWaalsContact CZ3-C 3.49Å; W870-A962 HydrophobicContact CZ3-CB 3.39Å; W870-Y963 HydrophobicContact CH2-CD2 4.5Å; W870-L966 HydrophobicContact CE3-CD1 3.89Å; W870-L966 HydrophobicContact CE3-CG 4.24Å; W870-L966 HydrophobicContact CH2-CD1 3.39Å; W870-L966 HydrophobicContact CH2-CG 4.14Å; W870-L966 HydrophobicContact CZ2-CD1 4.15Å; W870-L966 HydrophobicContact CZ3-CD1 3.23Å; W870-L966 HydrophobicContact CZ3-CD2 4.37Å; W870-L966 HydrophobicContact CZ3-CG 3.56Å
871L94.2Very high94.6Very high2 Ų223.8 Ų23.81%0.0112%0.123CC..THydrogen-bonded Turntrans-70.1-8.5175.6-72.9172.9000114M867 A869 T937 E940 A941 A962 K965M867-L871 VanDerWaalsContact O-CB 3.29Å; M867-L871 WeakPolarHBondContact O-CB 3.28Å; M867-L871 VanDerWaalsContact O-CG 3.26Å; M867-L871 WeakPolarHBondContact O-CG 3.13Å; M867-L871 PolarHBondContact O-N 2.93Å; A869-L871 VanDerWaalsContact C-N 3.35Å; A869-L871 PolarHBondContact O-N 3.06Å; L871-T937 HydrophobicContact CB-CG2 3.24Å; L871-T937 HydrophobicContact CD1-CG2 3.94Å; L871-T937 HydrophobicContact CG-CG2 4.24Å; L871-E940 HydrophobicContact CD1-CB 4.24Å; L871-A941 HydrophobicContact CD1-CB 4.46Å; L871-A962 HydrophobicContact CD2-CB 4.42Å; L871-K965 HydrophobicContact CD1-CD 4.35Å; L871-K965 HydrophobicContact CD2-CB 3.75Å; L871-K965 HydrophobicContact CD2-CD 4.07Å
872R92.5Very high94.3Very high134 Ų13426.7 Ų26.751%0.50614%0.138SC..THydrogen-bonded Turntrans-100.38.9168.4-69.8-169.6-67.3101.61.4113.1E868 A869 W870 T937E868-R872 PolarHBondContact O-N 3.46Å; E868-R872 WeakPolarHBondContact OE1-CD 3.4Å; E868-R872 IonicContact OE1-CZ 3.18Å; E868-R872 IonicContact OE1-NE 2.65Å; E868-R872 PolarHBondContact OE1-NE 3.44Å; E868-R872 IonicContact OE1-NH2 3.34Å; E868-R872 IonicContact OE2-CZ 3.2Å; E868-R872 IonicContact OE2-NE 3.17Å; E868-R872 PolarHBondContact OE2-NE 3.32Å; E868-R872 VanDerWaalsContact OE2-NE 3.12Å; E868-R872 IonicContact OE2-NH2 3.32Å; E868-R872 PolarHBondContact OE2-NH2 3.01Å; A869-R872 CarbonylContact O-C 3.49Å; A869-R872 WeakPolarHBondContact O-CA 3.37Å; A869-R872 WeakPolarHBondContact O-CB 3.23Å; A869-R872 PolarHBondContact O-N 3.38Å; W870-R872 PolarHBondContact O-N 2.81Å; R872-T937 HydrophobicContact CG-CG2 4.3Å
873G92.5Very high94.2Very high17 Ų1728 Ų2818%0.17515%0.145CC..THydrogen-bonded Turntrans88.713.4179.400000115.2S561 N566 A869 W870S561-G873 VanDerWaalsContact CB-C 3.45Å; S561-G873 WeakPolarHBondContact OG-CA 3.4Å; N566-G873 PolarHBondContact ND2-O 3Å; A869-G873 PolarHBondContact O-N 3.24Å; W870-G873 PolarHBondContact O-N 3.11Å
874N94.1Very high94.1Very high63 Ų6328.3 Ų28.334%0.33715%0.146SC..  trans-116.9108.6174.2-176.921.2000112.5A869 W870 C876 V877A869-N874 CarbonylContact C-O 3.58Å; A869-N874 HydrophobicContact CB-CB 4.49Å; A869-N874 PolarHBondContact O-N 3.41Å; W870-N874 WeakPolarHBondContact CA-O 3.3Å; W870-N874 PolarHBondContact N-O 3Å; W870-N874 VanDerWaalsContact N-O 3.14Å; N874-C876 PolarHBondContact ND2-O 3.04Å; N874-C876 VanDerWaalsContact ND2-O 3.1Å; N874-C876 PolarHBondContact OD1-N 2.96Å; N874-C876 VanDerWaalsContact OD1-N 3.09Å; N874-C876 PolarHBondContact OD1-O 3.11Å; N874-C876 VanDerWaalsContact OD1-O 3.1Å; N874-V877 WeakPolarHBondContact O-CG2 3.19Å
875G95.1Very high94Very high1 Ų130.1 Ų30.11%0.0116%0.155CC..  trans-92.1-4.2177.400000115.5S559 Y866S559-G875 VanDerWaalsContact C-C 3.45Å; S559-G875 CarbonylContact C-O 3.57Å; S559-G875 WeakPolarHBondContact CA-O 3.49Å; S559-G875 CarbonylContact O-C 3.48Å; S559-G875 WeakPolarHBondContact O-CA 3.39Å; Y866-G875 VanDerWaalsContact CE2-O 3.26Å; Y866-G875 WeakPolarHBondContact CE2-O 3.48Å; Y866-G875 PolarHBondContact OH-O 3.48Å
876C95Very high94.1Very high15 Ų1529.9 Ų29.910%0.10115%0.153CC..SBendtrans-116.795.9-178.9-1670000108.4P535 S559 N874 M883P535-C876 HydrophobicContact CB-CB 4.01Å; P535-C876 HydrophobicContact CG-CB 3.84Å; S559-C876 WeakPolarHBondContact O-CB 3.46Å; S559-C876 PolarHBondContact O-N 3.13Å; S559-C876 VanDerWaalsContact O-N 3.15Å; N874-C876 PolarHBondContact ND2-O 3.04Å; N874-C876 VanDerWaalsContact ND2-O 3.1Å; N874-C876 PolarHBondContact OD1-N 2.96Å; N874-C876 VanDerWaalsContact OD1-N 3.09Å; N874-C876 PolarHBondContact OD1-O 3.11Å; N874-C876 VanDerWaalsContact OD1-O 3.1Å; C876-M883 WeakPolarHBondContact SG-CG 3.21Å; C876-M883 PolarHBondContact SG-SD 2.95Å
877V94.4Very high94.1Very high9 Ų930.1 Ų30.16%0.05516%0.155CC..EExtended strand (participates in β ladder)trans-117.3118.6-158.6-166.30000111.1Y866 A869 N874 L879 E884Y866-V877 HydrophobicContact CD2-CB 4.03Å; Y866-V877 HydrophobicContact CD2-CG2 3.65Å; Y866-V877 HydrophobicContact CE2-CB 4.44Å; Y866-V877 HydrophobicContact CE2-CG2 3.78Å; A869-V877 HydrophobicContact CB-CB 4.37Å; A869-V877 HydrophobicContact CB-CG1 3.74Å; A869-V877 HydrophobicContact CB-CG2 3.61Å; N874-V877 WeakPolarHBondContact O-CG2 3.19Å; V877-L879 HydrophobicContact CB-CG 4.31Å; V877-L879 HydrophobicContact CG1-CD1 4.21Å; V877-L879 HydrophobicContact CG1-CD2 3.83Å; V877-L879 HydrophobicContact CG1-CG 3.79Å; V877-L879 PolarHBondContact O-N 3.18Å; V877-L879 VanDerWaalsContact O-N 3.14Å; V877-E884 PolarHBondContact N-O 3.04Å; V877-E884 PolarHBondContact O-N 3.42Å
878P93.6Very high94.1Very high81 Ų8130 Ų3053%0.52616%0.155SC..EExtended strand (participates in β ladder)trans-73.2106.2173.629.1-32.8000110.2I773 L882I773-P878 HydrophobicContact CD1-CB 3.53Å; P878-L882 CarbonylContact C-O 3.59Å; P878-L882 WeakPolarHBondContact CA-O 3.08Å
879L92.4Very high94.2Very high7 Ų729.6 Ų29.64%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-124.9124.2177.2-59.5175000109.3V862 V877 N881 L882 E884 W928V862-L879 HydrophobicContact CG1-CD1 4.13Å; V877-L879 HydrophobicContact CB-CG 4.31Å; V877-L879 HydrophobicContact CG1-CD1 4.21Å; V877-L879 HydrophobicContact CG1-CD2 3.83Å; V877-L879 HydrophobicContact CG1-CG 3.79Å; V877-L879 PolarHBondContact O-N 3.18Å; V877-L879 VanDerWaalsContact O-N 3.14Å; L879-N881 PolarHBondContact O-N 2.83Å; L879-N881 VanDerWaalsContact O-N 3.15Å; L879-L882 PolarHBondContact N-O 2.95Å; L879-L882 WeakPolarHBondContact O-CB 3.2Å; L879-L882 PolarHBondContact O-N 3.3Å; L879-E884 HydrophobicContact CB-CG 3.89Å; L879-E884 HydrophobicContact CD1-CB 4.28Å; L879-E884 HydrophobicContact CD1-CG 4.15Å; L879-E884 HydrophobicContact CG-CG 4.32Å; L879-W928 HydrophobicContact CD2-CH2 3.61Å; L879-W928 HydrophobicContact CD2-CZ2 4.08Å
880Y91Very high94.4Very high76 Ų7629.5 Ų29.530%0.29815%0.152SC..THydrogen-bonded Turntrans51.639.5178.2-52.9-81.2000114.1S861 V862 L882 R931S861-Y880 VanDerWaalsContact CB-OH 3.24Å; S861-Y880 WeakPolarHBondContact CB-OH 3.37Å; S861-Y880 PolarHBondContact OG-OH 3Å; V862-Y880 HydrophobicContact CG2-CD2 3.86Å; V862-Y880 HydrophobicContact CG2-CE2 3.68Å; Y880-L882 PolarHBondContact O-N 3.24Å; Y880-R931 PolarHBondContact OH-NH1 3.11Å
881N89.7Confident94.5Very high68 Ų6829.3 Ų29.336%0.36415%0.151SC..THydrogen-bonded Turntrans64.622.3-177.6-42.8-50.3000114.3F772 I773 V775 L781 L879F772-N881 WeakPolarHBondContact CD2-O 3.45Å; F772-N881 HydrophobicContact CE2-CB 4.19Å; I773-N881 PolarHBondContact N-O 3.06Å; V775-N881 HydrophobicContact CG2-CB 4Å; V775-N881 VanDerWaalsContact CG2-CG 3.46Å; V775-N881 WeakPolarHBondContact CG2-OD1 3.11Å; L781-N881 WeakPolarHBondContact CD2-ND2 3.12Å; L879-N881 PolarHBondContact O-N 2.83Å; L879-N881 VanDerWaalsContact O-N 3.15Å
882L91.9Very high94.7Very high63 Ų6329.2 Ų29.233%0.3315%0.15SC..EExtended strand (participates in β ladder)trans-116.7141.7169.1-60.7174.1000108.9A771 P878 L879 Y880 E884A771-L882 CarbonylContact O-C 3.55Å; A771-L882 WeakPolarHBondContact O-CA 3.48Å; P878-L882 CarbonylContact C-O 3.59Å; P878-L882 WeakPolarHBondContact CA-O 3.08Å; L879-L882 PolarHBondContact N-O 2.95Å; L879-L882 WeakPolarHBondContact O-CB 3.2Å; L879-L882 PolarHBondContact O-N 3.3Å; Y880-L882 PolarHBondContact O-N 3.24Å; L882-E884 HydrophobicContact CB-CG 4.2Å; L882-E884 WeakPolarHBondContact CB-OE1 3.29Å; L882-E884 WeakPolarHBondContact CD1-OE1 3.36Å; L882-E884 PolarHBondContact O-N 3.28Å
883M93.4Very high94.9Very high29 Ų2922.8 Ų22.814%0.14313%0.126CC..EExtended strand (participates in β ladder)trans-86.596.6171.3-166.366.675.800108.2A771 I773 A807 C876A771-M883 PolarHBondContact O-N 2.97Å; I773-M883 HydrophobicContact CD1-CB 4.03Å; I773-M883 HydrophobicContact CD1-CE 3.7Å; I773-M883 HydrophobicContact CD1-SD 4.14Å; I773-M883 HydrophobicContact CG1-CB 4.11Å; I773-M883 HydrophobicContact CG1-CE 4.21Å; A807-M883 HydrophobicContact CB-CB 3.84Å; A807-M883 HydrophobicContact CB-CG 4.2Å; C876-M883 WeakPolarHBondContact SG-CG 3.21Å; C876-M883 PolarHBondContact SG-SD 2.95Å
884E94.7Very high95.1Very high6 Ų622 Ų223%0.02812%0.118CC..EExtended strand (participates in β ladder)trans-91.3145-173.5-55.1-68.3-163.400111.5Y866 V877 L879 L882 T888Y866-E884 HydrophobicContact CD2-CB 4.34Å; V877-E884 PolarHBondContact N-O 3.04Å; V877-E884 PolarHBondContact O-N 3.42Å; L879-E884 HydrophobicContact CB-CG 3.89Å; L879-E884 HydrophobicContact CD1-CB 4.28Å; L879-E884 HydrophobicContact CD1-CG 4.15Å; L879-E884 HydrophobicContact CG-CG 4.32Å; L882-E884 HydrophobicContact CB-CG 4.2Å; L882-E884 WeakPolarHBondContact CB-OE1 3.29Å; L882-E884 WeakPolarHBondContact CD1-OE1 3.36Å; L882-E884 PolarHBondContact O-N 3.28Å; E884-T888 HydrophobicContact CB-CG2 4.47Å; E884-T888 HydrophobicContact CG-CG2 4.28Å; E884-T888 VanDerWaalsContact OE2-CB 3.29Å; E884-T888 WeakPolarHBondContact OE2-CB 2.99Å; E884-T888 VanDerWaalsContact OE2-CG2 3.24Å; E884-T888 WeakPolarHBondContact OE2-CG2 3.28Å; E884-T888 PolarHBondContact OE2-OG1 2.93Å
885D96.1Very high95.3Very high37 Ų3719 Ų1920%0.19810%0.102CC..  trans-121.6-176.7174.968.82.8000110.6D558 Y866 A887 T888D558-D885 HydrophobicContact CB-CB 4.05Å; Y866-D885 VanDerWaalsContact CE2-CA 3.47Å; Y866-D885 WeakPolarHBondContact CE2-O 3.27Å; D885-A887 VanDerWaalsContact C-N 3.26Å; D885-A887 PolarHBondContact O-N 3.41Å; D885-A887 WeakPolarHBondContact OD1-CB 3.26Å; D885-A887 PolarHBondContact OD1-N 3.09Å; D885-T888 PolarHBondContact O-N 3.15Å; D885-T888 VanDerWaalsContact O-N 3.15Å
886A96.9Very high95.4Very high1 Ų119 Ų191%0.00810%0.101CC..Hα-helixtrans-62.6-33.6-173.700000112.4D558 Y866 T888 A889 E890 T959D558-A886 HydrophobicContact CB-CB 3.96Å; D558-A886 PolarHBondContact O-N 3.42Å; Y866-A886 HydrophobicContact CE1-CB 4Å; Y866-A886 VanDerWaalsContact CZ-CA 3.42Å; Y866-A886 VanDerWaalsContact OH-CA 3.31Å; Y866-A886 WeakPolarHBondContact OH-CA 3.49Å; Y866-A886 WeakPolarHBondContact OH-CB 3.13Å; Y866-A886 PolarHBondContact OH-N 3.44Å; A886-T888 PolarHBondContact O-N 3.12Å; A886-A889 PolarHBondContact O-N 2.7Å; A886-E890 WeakPolarHBondContact O-CG 3.17Å; A886-E890 PolarHBondContact O-N 3.21Å; A886-T959 HydrophobicContact CB-CG2 4.25Å
887A97Very high95.5Very high4 Ų418.5 Ų18.53%0.03310%0.098CC..Hα-helixtrans-56.8-36.5176.700000112.5D558 W716 D717 D885 E890 I891D558-A887 WeakPolarHBondContact OD2-CB 3.15Å; D558-A887 PolarHBondContact OD2-N 2.91Å; W716-A887 HydrophobicContact CB-CB 3.82Å; D717-A887 HydrophobicContact CB-CB 4.43Å; D885-A887 VanDerWaalsContact C-N 3.26Å; D885-A887 PolarHBondContact O-N 3.41Å; D885-A887 WeakPolarHBondContact OD1-CB 3.26Å; D885-A887 PolarHBondContact OD1-N 3.09Å; A887-E890 PolarHBondContact O-N 3.06Å; A887-I891 WeakPolarHBondContact O-CG2 3.37Å; A887-I891 PolarHBondContact O-N 3Å
888T96.7Very high95.7Very high1 Ų118.1 Ų18.11%0.00610%0.095CC..Hα-helixtrans-64.4-41.9175.7-59.60000111.8W716 V862 E884 D885 A886 I891 S892W716-T888 VanDerWaalsContact CD1-OG1 3.23Å; V862-T888 HydrophobicContact CG1-CG2 3.58Å; E884-T888 HydrophobicContact CB-CG2 4.47Å; E884-T888 HydrophobicContact CG-CG2 4.28Å; E884-T888 VanDerWaalsContact OE2-CB 3.29Å; E884-T888 WeakPolarHBondContact OE2-CB 2.99Å; E884-T888 VanDerWaalsContact OE2-CG2 3.24Å; E884-T888 WeakPolarHBondContact OE2-CG2 3.28Å; E884-T888 PolarHBondContact OE2-OG1 2.93Å; D885-T888 PolarHBondContact O-N 3.15Å; D885-T888 VanDerWaalsContact O-N 3.15Å; A886-T888 PolarHBondContact O-N 3.12Å; T888-I891 VanDerWaalsContact O-CG2 3.27Å; T888-I891 WeakPolarHBondContact O-CG2 3.35Å; T888-S892 VanDerWaalsContact O-CB 3.26Å; T888-S892 WeakPolarHBondContact O-CB 3.39Å; T888-S892 PolarHBondContact O-N 3.47Å; T888-S892 VanDerWaalsContact O-N 3.14Å; T888-S892 PolarHBondContact O-OG 3.07Å
889A97.3Very high95.8Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-68.4-36.5175.300000111.5T863 Y866 A886 S892 R893 L958T863-A889 HydrophobicContact CG2-CB 4.35Å; Y866-A889 HydrophobicContact CD1-CB 3.47Å; Y866-A889 VanDerWaalsContact CD1-CB 3.47Å; Y866-A889 HydrophobicContact CE1-CB 4.18Å; Y866-A889 HydrophobicContact CG-CB 3.91Å; A886-A889 PolarHBondContact O-N 2.7Å; A889-S892 PolarHBondContact O-N 3.27Å; A889-R893 VanDerWaalsContact O-CG 3.29Å; A889-R893 WeakPolarHBondContact O-CG 3.41Å; A889-R893 PolarHBondContact O-N 3.45Å; A889-L958 HydrophobicContact CB-CD2 3.6Å
890E98Very high96.1Very high1 Ų115.6 Ų15.61%0.0058%0.078CC..Hα-helixtrans-63.8-49.3177.6-70.8-72.3-163.300112.7F720 A886 A887 S892 R893 S894 F957 L958F720-E890 HydrophobicContact CB-CB 4.46Å; F720-E890 HydrophobicContact CD1-CB 3.76Å; F720-E890 HydrophobicContact CD1-CG 4.32Å; F720-E890 HydrophobicContact CD2-CB 4.09Å; F720-E890 HydrophobicContact CE1-CB 3.89Å; F720-E890 HydrophobicContact CE1-CG 4.02Å; F720-E890 HydrophobicContact CE2-CB 4.22Å; F720-E890 HydrophobicContact CG-CB 3.84Å; F720-E890 HydrophobicContact CZ-CB 4.1Å; F720-E890 HydrophobicContact CZ-CG 4.26Å; A886-E890 WeakPolarHBondContact O-CG 3.17Å; A886-E890 PolarHBondContact O-N 3.21Å; A887-E890 PolarHBondContact O-N 3.06Å; E890-S892 VanDerWaalsContact C-N 3.29Å; E890-S892 PolarHBondContact O-N 2.92Å; E890-R893 IonicContact OE1-NH2 3.72Å; E890-R893 IonicContact OE2-CZ 2.77Å; E890-R893 IonicContact OE2-NE 2.71Å; E890-R893 PolarHBondContact OE2-NE 2.94Å; E890-R893 IonicContact OE2-NH2 2.87Å; E890-R893 PolarHBondContact OE2-NH2 3.44Å; E890-S894 WeakPolarHBondContact O-CB 3.43Å; E890-S894 PolarHBondContact O-N 2.97Å; E890-S894 PolarHBondContact O-OG 3.34Å; E890-F957 WeakPolarHBondContact OE1-CA 3.29Å; E890-F957 WeakPolarHBondContact OE1-CB 3.36Å; E890-L958 HydrophobicContact CB-CD2 4.5Å; E890-L958 HydrophobicContact CG-CD2 3.8Å; E890-L958 HydrophobicContact CG-CG 4.21Å; E890-L958 WeakPolarHBondContact OE1-CG 3.48Å; E890-L958 PolarHBondContact OE1-N 2.82Å; E890-L958 PolarHBondContact OE2-N 2.8Å
891I97.9Very high96.3Very high0 Ų018.3 Ų18.30%09%0.088CC..Hα-helixtrans-63.8-38.6175.6-177.855.5000111.2W716 I719 F720 I723 R737 A887 T888 S894 Q895W716-I891 HydrophobicContact CB-CG2 4.08Å; W716-I891 HydrophobicContact CD2-CG2 4.08Å; W716-I891 HydrophobicContact CE3-CG1 4.35Å; W716-I891 HydrophobicContact CE3-CG2 3.98Å; W716-I891 HydrophobicContact CG-CG2 4.15Å; I719-I891 HydrophobicContact CB-CD1 4.1Å; I719-I891 HydrophobicContact CG2-CD1 3.63Å; I719-I891 HydrophobicContact CG2-CG1 4.45Å; F720-I891 HydrophobicContact CB-CB 4.3Å; I723-I891 HydrophobicContact CD1-CD1 3.63Å; R737-I891 HydrophobicContact CB-CG1 3.88Å; A887-I891 WeakPolarHBondContact O-CG2 3.37Å; A887-I891 PolarHBondContact O-N 3Å; T888-I891 VanDerWaalsContact O-CG2 3.27Å; T888-I891 WeakPolarHBondContact O-CG2 3.35Å; I891-S894 PolarHBondContact O-N 2.65Å; I891-Q895 HydrophobicContact CD1-CG 4.16Å; I891-Q895 PolarHBondContact O-N 3.2Å
892S97.9Very high96.6Very high0 Ų016.8 Ų16.80%08%0.079CC..Hα-helixtrans-63.9-52.2-178.8-63.50000111.3R737 N859 T863 T888 A889 E890 S894 Q895 L896R737-S892 PolarHBondContact NE-OG 2.96Å; N859-S892 PolarHBondContact OD1-OG 3.05Å; T863-S892 WeakPolarHBondContact OG1-CB 3.35Å; T888-S892 VanDerWaalsContact O-CB 3.26Å; T888-S892 WeakPolarHBondContact O-CB 3.39Å; T888-S892 PolarHBondContact O-N 3.47Å; T888-S892 VanDerWaalsContact O-N 3.14Å; T888-S892 PolarHBondContact O-OG 3.07Å; A889-S892 PolarHBondContact O-N 3.27Å; E890-S892 VanDerWaalsContact C-N 3.29Å; E890-S892 PolarHBondContact O-N 2.92Å; S892-S894 VanDerWaalsContact C-N 3.31Å; S892-S894 PolarHBondContact O-N 3.26Å; S892-Q895 PolarHBondContact O-N 3.46Å; S892-L896 WeakPolarHBondContact O-CG 3.23Å; S892-L896 PolarHBondContact O-N 2.86Å
893R97.1Very high96.7Very high0 Ų018.1 Ų18.10%09%0.086CC..Hα-helixtrans-66.5-33.9177.671.287.3178.1177.2-1.8112.5T863 A889 E890 L896 W897 L945 P955 L958T863-R893 HydrophobicContact CG2-CB 4.32Å; A889-R893 VanDerWaalsContact O-CG 3.29Å; A889-R893 WeakPolarHBondContact O-CG 3.41Å; A889-R893 PolarHBondContact O-N 3.45Å; E890-R893 IonicContact OE1-NH2 3.72Å; E890-R893 IonicContact OE2-CZ 2.77Å; E890-R893 IonicContact OE2-NE 2.71Å; E890-R893 PolarHBondContact OE2-NE 2.94Å; E890-R893 IonicContact OE2-NH2 2.87Å; E890-R893 PolarHBondContact OE2-NH2 3.44Å; R893-L896 PolarHBondContact O-N 3.47Å; R893-W897 PolarHBondContact O-N 2.97Å; R893-L945 HydrophobicContact CB-CD1 4.05Å; R893-P955 VanDerWaalsContact CZ-O 3.3Å; R893-P955 PolarHBondContact NH1-O 3.23Å; R893-P955 PolarHBondContact NH2-O 3.33Å; R893-L958 HydrophobicContact CG-CD2 4.36Å
894S97.4Very high96.8Very high0 Ų016.8 Ų16.80%08%0.08CC..Hα-helixtrans-72.3-34.7-178.4-62.20000112.3F720 E890 I891 S892 W897 Q898 M954F720-S894 WeakPolarHBondContact CD2-OG 3.49Å; F720-S894 WeakPolarHBondContact CE2-OG 3.4Å; E890-S894 WeakPolarHBondContact O-CB 3.43Å; E890-S894 PolarHBondContact O-N 2.97Å; E890-S894 PolarHBondContact O-OG 3.34Å; I891-S894 PolarHBondContact O-N 2.65Å; S892-S894 VanDerWaalsContact C-N 3.31Å; S892-S894 PolarHBondContact O-N 3.26Å; S894-W897 PolarHBondContact O-N 3.01Å; S894-Q898 VanDerWaalsContact O-CB 3.28Å; S894-Q898 WeakPolarHBondContact O-CB 3.24Å; S894-Q898 PolarHBondContact O-N 3.12Å; S894-M954 VanDerWaalsContact CB-CE 3.46Å; S894-M954 WeakPolarHBondContact OG-CE 3.31Å
895Q97.1Very high96.9Very high0 Ų020.8 Ų20.80%010%0.097CC..Hα-helixtrans-63.2-44.2169.2-84.9-165.1-13.600112.2I723 P735 R737 N859 I891 S892 W897 Q898 W899I723-Q895 HydrophobicContact CD1-CG 3.69Å; P735-Q895 PolarHBondContact O-NE2 3.37Å; R737-Q895 VanDerWaalsContact N-OE1 3.12Å; N859-Q895 PolarHBondContact ND2-OE1 2.99Å; I891-Q895 HydrophobicContact CD1-CG 4.16Å; I891-Q895 PolarHBondContact O-N 3.2Å; S892-Q895 PolarHBondContact O-N 3.46Å; Q895-W897 VanDerWaalsContact C-N 3.33Å; Q895-W897 PolarHBondContact O-N 3.43Å; Q895-Q898 PolarHBondContact O-N 2.91Å; Q895-W899 HydrophobicContact CB-CD2 4.4Å; Q895-W899 HydrophobicContact CB-CH2 4.33Å; Q895-W899 HydrophobicContact CB-CZ2 4.1Å; Q895-W899 HydrophobicContact CG-CZ2 4.17Å; Q895-W899 WeakPolarHBondContact O-CB 3.39Å; Q895-W899 PolarHBondContact O-N 2.72Å; Q895-W899 VanDerWaalsContact OE1-CZ2 3.3Å
896L97.7Very high97Very high0 Ų019.3 Ų19.30%09%0.089CC..Hα-helixtrans-58.6-47.7176.8-63174.7000110.8L856 N859 V860 S892 R893 V900 V917 L945 T949L856-L896 HydrophobicContact CD1-CD2 3.66Å; L856-L896 HydrophobicContact CG-CD2 4.2Å; N859-L896 HydrophobicContact CB-CD1 4.38Å; N859-L896 HydrophobicContact CB-CD2 4.13Å; N859-L896 HydrophobicContact CB-CG 4.15Å; V860-L896 HydrophobicContact CG2-CD1 3.65Å; V860-L896 HydrophobicContact CG2-CD2 4.11Å; S892-L896 WeakPolarHBondContact O-CG 3.23Å; S892-L896 PolarHBondContact O-N 2.86Å; R893-L896 PolarHBondContact O-N 3.47Å; L896-V900 WeakPolarHBondContact O-CB 3.32Å; L896-V900 VanDerWaalsContact O-CG2 3.29Å; L896-V900 WeakPolarHBondContact O-CG2 3.36Å; L896-V900 PolarHBondContact O-N 3.48Å; L896-V917 HydrophobicContact CD1-CG1 4.43Å; L896-V917 HydrophobicContact CD2-CG1 4.35Å; L896-L945 HydrophobicContact CD1-CD1 4.23Å; L896-T949 HydrophobicContact CB-CG2 3.95Å
897W98Very high97Very high6 Ų623.4 Ų23.42%0.02312%0.118CC..Hα-helixtrans-58.3-50175-175.493.9000111.7R727 R893 S894 Q895 W899 V900 R901 T949 S951 M954R727-W897 HydrophobicContact CB-CH2 4Å; R727-W897 HydrophobicContact CB-CZ3 3.79Å; R893-W897 PolarHBondContact O-N 2.97Å; S894-W897 PolarHBondContact O-N 3.01Å; Q895-W897 VanDerWaalsContact C-N 3.33Å; Q895-W897 PolarHBondContact O-N 3.43Å; W897-W899 PolarHBondContact O-N 3.42Å; W897-V900 PolarHBondContact O-N 2.96Å; W897-R901 HydrophobicContact CD2-CB 4.49Å; W897-R901 HydrophobicContact CE3-CB 4.3Å; W897-R901 HydrophobicContact CH2-CB 4.1Å; W897-R901 HydrophobicContact CH2-CG 3.7Å; W897-R901 HydrophobicContact CZ2-CB 4.3Å; W897-R901 HydrophobicContact CZ2-CG 3.97Å; W897-R901 HydrophobicContact CZ3-CB 4.09Å; W897-R901 HydrophobicContact CZ3-CG 4.14Å; W897-R901 VanDerWaalsContact O-CB 3.29Å; W897-R901 WeakPolarHBondContact O-CB 3.41Å; W897-R901 PolarHBondContact O-N 3.32Å; W897-T949 VanDerWaalsContact CD1-O 3.3Å; W897-S951 PolarHBondContact NE1-O 3.43Å; W897-M954 HydrophobicContact CD2-CB 4.07Å; W897-M954 HydrophobicContact CD2-CG 4.09Å; W897-M954 HydrophobicContact CD2-SD 4.38Å; W897-M954 HydrophobicContact CE3-CB 4.19Å; W897-M954 HydrophobicContact CE3-CG 4.14Å; W897-M954 HydrophobicContact CE3-SD 3.85Å; W897-M954 HydrophobicContact CH2-CB 3.95Å; W897-M954 HydrophobicContact CZ2-CB 3.78Å; W897-M954 HydrophobicContact CZ3-CB 4.15Å; W897-M954 HydrophobicContact CZ3-CG 4.47Å; W897-M954 HydrophobicContact CZ3-SD 4.07Å
898Q97.4Very high96.8Very high0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-61-45-177.5-164.9-169.54100111.6I723 Y732 L733 L734 S894 Q895 R901 H902I723-Q898 HydrophobicContact CG2-CB 3.8Å; I723-Q898 HydrophobicContact CG2-CG 3.98Å; Y732-Q898 PolarHBondContact O-NE2 3.38Å; L733-Q898 HydrophobicContact CD1-CG 3.7Å; L734-Q898 VanDerWaalsContact N-OE1 3.1Å; S894-Q898 VanDerWaalsContact O-CB 3.28Å; S894-Q898 WeakPolarHBondContact O-CB 3.24Å; S894-Q898 PolarHBondContact O-N 3.12Å; Q895-Q898 PolarHBondContact O-N 2.91Å; Q898-R901 PolarHBondContact O-N 3.41Å; Q898-H902 WeakPolarHBondContact O-CB 3.28Å; Q898-H902 PolarHBondContact O-CD2 3.45Å; Q898-H902 PolarHBondContact O-N 3.01Å
899W97.3Very high96.8Very high0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-67.4-40-179.6-66.3-14.1000112.3L734 D736 R851 L856 Q895 W897 N903 G904 I912L734-W899 PolarHBondContact O-NE1 3.31Å; D736-W899 VanDerWaalsContact OD1-CH2 3.25Å; D736-W899 WeakPolarHBondContact OD1-CH2 3.27Å; R851-W899 HydrophobicContact CB-CZ2 4.3Å; R851-W899 HydrophobicContact CG-CD2 4.36Å; R851-W899 HydrophobicContact CG-CZ2 3.74Å; L856-W899 HydrophobicContact CB-CZ3 4.33Å; L856-W899 HydrophobicContact CD1-CE3 3.88Å; L856-W899 HydrophobicContact CD1-CZ3 4.05Å; Q895-W899 HydrophobicContact CB-CD2 4.4Å; Q895-W899 HydrophobicContact CB-CH2 4.33Å; Q895-W899 HydrophobicContact CB-CZ2 4.1Å; Q895-W899 HydrophobicContact CG-CZ2 4.17Å; Q895-W899 WeakPolarHBondContact O-CB 3.39Å; Q895-W899 PolarHBondContact O-N 2.72Å; Q895-W899 VanDerWaalsContact OE1-CZ2 3.3Å; W897-W899 PolarHBondContact O-N 3.42Å; W899-N903 PolarHBondContact O-N 2.99Å; W899-G904 PolarHBondContact O-N 3.42Å; W899-I912 HydrophobicContact CB-CB 4.14Å; W899-I912 HydrophobicContact CB-CD1 3.75Å; W899-I912 HydrophobicContact CB-CG2 3.89Å; W899-I912 HydrophobicContact CD2-CD1 3.8Å; W899-I912 HydrophobicContact CE3-CD1 3.73Å; W899-I912 HydrophobicContact CG-CD1 3.83Å
900V96.8Very high96.7Very high35 Ų3534.5 Ų34.521%0.21218%0.18CC..Hα-helixtrans-66.5-45174.8172.10000110.8L896 W897 H902 I912 W914 V917 T949L896-V900 WeakPolarHBondContact O-CB 3.32Å; L896-V900 VanDerWaalsContact O-CG2 3.29Å; L896-V900 WeakPolarHBondContact O-CG2 3.36Å; L896-V900 PolarHBondContact O-N 3.48Å; W897-V900 PolarHBondContact O-N 2.96Å; V900-H902 PolarHBondContact O-N 2.89Å; V900-I912 HydrophobicContact CG2-CG2 4.3Å; V900-W914 HydrophobicContact CG1-CB 4.27Å; V900-V917 HydrophobicContact CG2-CG2 3.61Å; V900-T949 HydrophobicContact CG2-CG2 4.33Å
901R96.2Very high96.7Very high134 Ų13436 Ų3651%0.50619%0.191SC..Hα-helixtrans-65.1-39.6-176.1-17068.2174.697-7.5113.3W897 Q898W897-R901 HydrophobicContact CD2-CB 4.49Å; W897-R901 HydrophobicContact CE3-CB 4.3Å; W897-R901 HydrophobicContact CH2-CB 4.1Å; W897-R901 HydrophobicContact CH2-CG 3.7Å; W897-R901 HydrophobicContact CZ2-CB 4.3Å; W897-R901 HydrophobicContact CZ2-CG 3.97Å; W897-R901 HydrophobicContact CZ3-CB 4.09Å; W897-R901 HydrophobicContact CZ3-CG 4.14Å; W897-R901 VanDerWaalsContact O-CB 3.29Å; W897-R901 WeakPolarHBondContact O-CB 3.41Å; W897-R901 PolarHBondContact O-N 3.32Å; Q898-R901 PolarHBondContact O-N 3.41Å
902H95.7Very high96.7Very high36 Ų3636 Ų3617%0.16719%0.191CC..THydrogen-bonded Turntrans-105.116.9-173.9-64.4-59.1000113.8R727 P730 L733 Q898 V900 G904R727-H902 PolarHBondContact O-CE1 2.78Å; R727-H902 PolarHBondContact O-NE2 2.67Å; P730-H902 HydrophobicContact CB-CB 4.44Å; L733-H902 HydrophobicContact CD1-CB 4.09Å; Q898-H902 WeakPolarHBondContact O-CB 3.28Å; Q898-H902 PolarHBondContact O-CD2 3.45Å; Q898-H902 PolarHBondContact O-N 3.01Å; V900-H902 PolarHBondContact O-N 2.89Å; H902-G904 VanDerWaalsContact C-N 3.3Å; H902-G904 PolarHBondContact O-N 3.29Å
903N94.1Very high96.6Very high90 Ų9038.5 Ų38.548%0.48121%0.206SC..THydrogen-bonded Turntrans53.246.3178.9-170.530.3000112.8W899 S911W899-N903 PolarHBondContact O-N 2.99Å; N903-S911 VanDerWaalsContact OD1-CB 3.29Å; N903-S911 WeakPolarHBondContact OD1-CB 3.44Å; N903-S911 PolarHBondContact OD1-OG 3.21Å
904G95.9Very high96.6Very high1 Ų141 Ų411%0.0122%0.216CC..  trans-54.2140.7177.200000111.5W899 H902 I912W899-G904 PolarHBondContact O-N 3.42Å; H902-G904 VanDerWaalsContact C-N 3.3Å; H902-G904 PolarHBondContact O-N 3.29Å; G904-I912 WeakPolarHBondContact O-CB 3.43Å; G904-I912 WeakPolarHBondContact O-CG1 3.25Å; G904-I912 PolarHBondContact O-N 3.01Å
905K97.4Very high96.6Very high90 Ų9047 Ų4739%0.39124%0.244SC..BIsolated β-bridgetrans-104.5130.6-179.6-62-62.6-172164.10111R851 R910 S911R851-K905 PolarHBondContact NE-O 3.19Å; K905-R910 WeakPolarHBondContact CA-O 3.32Å; K905-S911 WeakPolarHBondContact CE-OG 3.46Å; K905-S911 PolarHBondContact NZ-OG 2.9Å
906L97.6Very high96.6Very high6 Ų648.2 Ų48.23%0.03125%0.25CS..  trans-64.5159.3165.3-65.8-178.2000110.3R851 T852 E853 D908 G909 R910 I912 L916R851-L906 CarbonylContact O-C 3.51Å; R851-L906 VanDerWaalsContact O-CA 3.24Å; R851-L906 WeakPolarHBondContact O-CA 3.24Å; T852-L906 VanDerWaalsContact C-CD2 3.5Å; E853-L906 HydrophobicContact CB-CD1 4.25Å; L906-D908 WeakPolarHBondContact CB-OD1 3.22Å; L906-D908 PolarHBondContact O-N 2.73Å; L906-D908 VanDerWaalsContact O-N 3.14Å; L906-G909 PolarHBondContact O-N 3.47Å; L906-R910 HydrophobicContact CB-CB 4.44Å; L906-R910 HydrophobicContact CD1-CB 4.16Å; L906-R910 PolarHBondContact N-O 3.39Å; L906-I912 HydrophobicContact CD2-CD1 3.76Å; L906-I912 HydrophobicContact CD2-CG1 3.73Å; L906-I912 HydrophobicContact CG-CD1 4.26Å; L906-I912 HydrophobicContact CG-CG1 3.77Å; L906-L916 HydrophobicContact CD1-CD2 3.98Å
907S95.8Very high96.7Very high88 Ų8848.2 Ų48.262%0.61525%0.25SS*.THydrogen-bonded Turntrans-59.5-21.8178.550.70000113.7R851R851-S907 PolarHBondContact O-N 3.17Å
908D94.6Very high96.7Very high91 Ų9151.9 Ų51.949%0.48727%0.268SS..THydrogen-bonded Turntrans-91.55174.267.810.1000114.2L906 R910L906-D908 WeakPolarHBondContact CB-OD1 3.22Å; L906-D908 PolarHBondContact O-N 2.73Å; L906-D908 VanDerWaalsContact O-N 3.14Å; D908-R910 WeakPolarHBondContact OD1-CB 3.37Å; D908-R910 PolarHBondContact OD1-N 3.49Å; D908-R910 IonicContact OD1-NE 3.28Å; D908-R910 PolarHBondContact OD1-NE 3.29Å; D908-R910 IonicContact OD1-NH2 3.5Å; D908-R910 IonicContact OD2-CZ 3.29Å; D908-R910 IonicContact OD2-NE 3.02Å; D908-R910 PolarHBondContact OD2-NE 3.48Å; D908-R910 IonicContact OD2-NH2 3.98Å; D908-R910 PolarHBondContact OD2-NH2 2.95Å
909G94.9Very high96.7Very high47 Ų4757.7 Ų57.749%0.48529%0.293SS..SBendtrans90.5-8.5176.300000115.5L906L906-G909 PolarHBondContact O-N 3.47Å
910R96.8Very high96.7Very high99 Ų9957.7 Ų57.737%0.37429%0.293SS..  trans-63.7140.7175.4-72.9-178.7-69.5160.6-1.7111.1E853 K905 L906 D908E853-R910 IonicContact OE2-CZ 2.84Å; E853-R910 VanDerWaalsContact OE2-CZ 3.29Å; E853-R910 IonicContact OE2-NH1 2.72Å; E853-R910 PolarHBondContact OE2-NH1 3.45Å; E853-R910 IonicContact OE2-NH2 3.06Å; E853-R910 PolarHBondContact OE2-NH2 2.91Å; K905-R910 WeakPolarHBondContact CA-O 3.32Å; L906-R910 HydrophobicContact CB-CB 4.44Å; L906-R910 HydrophobicContact CD1-CB 4.16Å; L906-R910 PolarHBondContact N-O 3.39Å; D908-R910 WeakPolarHBondContact OD1-CB 3.37Å; D908-R910 PolarHBondContact OD1-N 3.49Å; D908-R910 IonicContact OD1-NE 3.28Å; D908-R910 PolarHBondContact OD1-NE 3.29Å; D908-R910 IonicContact OD1-NH2 3.5Å; D908-R910 IonicContact OD2-CZ 3.29Å; D908-R910 IonicContact OD2-NE 3.02Å; D908-R910 PolarHBondContact OD2-NE 3.48Å; D908-R910 IonicContact OD2-NH2 3.98Å; D908-R910 PolarHBondContact OD2-NH2 2.95Å
911S97.2Very high96.8Very high32 Ų3256 Ų5622%0.22428%0.283CS..BIsolated β-bridgetrans-71.7137.5167.8-81.40000110.8N903 K905 T913N903-S911 VanDerWaalsContact OD1-CB 3.29Å; N903-S911 WeakPolarHBondContact OD1-CB 3.44Å; N903-S911 PolarHBondContact OD1-OG 3.21Å; K905-S911 WeakPolarHBondContact CE-OG 3.46Å; K905-S911 PolarHBondContact NZ-OG 2.9Å; S911-T913 PolarHBondContact O-N 3.36Å; S911-T913 VanDerWaalsContact O-N 3.12Å
912I97.6Very high96.9Very high1 Ų152.4 Ų52.41%0.00528%0.282CS..  trans-81.586.4169.4-56.8167000107.4R851 L856 W899 V900 G904 L906 V917R851-I912 HydrophobicContact CB-CD1 4.25Å; L856-I912 HydrophobicContact CD1-CG2 3.63Å; W899-I912 HydrophobicContact CB-CB 4.14Å; W899-I912 HydrophobicContact CB-CD1 3.75Å; W899-I912 HydrophobicContact CB-CG2 3.89Å; W899-I912 HydrophobicContact CD2-CD1 3.8Å; W899-I912 HydrophobicContact CE3-CD1 3.73Å; W899-I912 HydrophobicContact CG-CD1 3.83Å; V900-I912 HydrophobicContact CG2-CG2 4.3Å; G904-I912 WeakPolarHBondContact O-CB 3.43Å; G904-I912 WeakPolarHBondContact O-CG1 3.25Å; G904-I912 PolarHBondContact O-N 3.01Å; L906-I912 HydrophobicContact CD2-CD1 3.76Å; L906-I912 HydrophobicContact CD2-CG1 3.73Å; L906-I912 HydrophobicContact CG-CD1 4.26Å; L906-I912 HydrophobicContact CG-CG1 3.77Å; I912-V917 HydrophobicContact CG2-CG2 3.94Å
913T97Very high97Very high53 Ų5353.9 Ų53.933%0.32529%0.289SS..  trans-90.6163.1176.668.90000111.2S911 Q915 L916 V917S911-T913 PolarHBondContact O-N 3.36Å; S911-T913 VanDerWaalsContact O-N 3.12Å; T913-Q915 PolarHBondContact O-N 3.02Å; T913-Q915 PolarHBondContact OG1-OE1 3.31Å; T913-L916 WeakPolarHBondContact O-CB 3.47Å; T913-L916 PolarHBondContact O-N 2.92Å; T913-L916 VanDerWaalsContact O-N 3.09Å; T913-L916 PolarHBondContact OG1-N 3.47Å; T913-V917 PolarHBondContact O-N 2.89Å; T913-V917 VanDerWaalsContact O-N 3.13Å
914W97Very high97.1Very high51 Ų5150.6 Ų50.619%0.19327%0.27CS..Hα-helixtrans-53.2-43.1172.4168.8-116.1000112.2V900 L916 V917 E918 I921 K946 T949 V950V900-W914 HydrophobicContact CG1-CB 4.27Å; W914-L916 VanDerWaalsContact C-N 3.27Å; W914-L916 PolarHBondContact O-N 2.97Å; W914-V917 HydrophobicContact CE3-CB 4.39Å; W914-V917 HydrophobicContact CZ3-CG1 4.48Å; W914-V917 PolarHBondContact O-N 3.49Å; W914-V917 VanDerWaalsContact O-N 3.11Å; W914-E918 HydrophobicContact CD2-CB 4.35Å; W914-E918 HydrophobicContact CH2-CB 4.12Å; W914-E918 HydrophobicContact CZ2-CB 3.79Å; W914-E918 HydrophobicContact CZ2-CG 3.97Å; W914-E918 PolarHBondContact NE1-OE2 3.3Å; W914-E918 WeakPolarHBondContact O-CB 3.37Å; W914-E918 PolarHBondContact O-N 3.11Å; W914-I921 HydrophobicContact CH2-CD1 4.4Å; W914-I921 HydrophobicContact CZ3-CD1 4.44Å; W914-K946 HydrophobicContact CH2-CB 3.65Å; W914-K946 HydrophobicContact CH2-CG 3.78Å; W914-K946 HydrophobicContact CZ2-CB 4.27Å; W914-K946 HydrophobicContact CZ2-CG 4.37Å; W914-T949 HydrophobicContact CE3-CG2 4.15Å; W914-T949 HydrophobicContact CZ3-CG2 3.92Å; W914-V950 HydrophobicContact CD2-CB 4.17Å; W914-V950 HydrophobicContact CD2-CG2 3.99Å; W914-V950 HydrophobicContact CE3-CB 4.08Å; W914-V950 HydrophobicContact CE3-CG2 4.34Å; W914-V950 HydrophobicContact CG-CG2 4.15Å; W914-V950 HydrophobicContact CH2-CB 4.48Å; W914-V950 HydrophobicContact CZ3-CB 4.25Å
915Q97.4Very high97.2Very high126 Ų12651.2 Ų51.259%0.58927%0.274SS*.Hα-helixtrans-61.8-35.1179.7-62.881.92.700112.4T913 K919T913-Q915 PolarHBondContact O-N 3.02Å; T913-Q915 PolarHBondContact OG1-OE1 3.31Å; Q915-K919 VanDerWaalsContact O-CB 3.29Å; Q915-K919 WeakPolarHBondContact O-CB 3.38Å; Q915-K919 PolarHBondContact O-N 2.97Å; Q915-K919 VanDerWaalsContact O-N 3.09Å
916L97.3Very high97.1Very high27 Ų2751.1 Ų51.114%0.14128%0.275CS..Hα-helixtrans-67.7-45.6175179.761000110.8L856 L906 T913 W914 K919 V920L856-L916 HydrophobicContact CD2-CD2 4.29Å; L856-L916 HydrophobicContact CD2-CG 4.18Å; L906-L916 HydrophobicContact CD1-CD2 3.98Å; T913-L916 WeakPolarHBondContact O-CB 3.47Å; T913-L916 PolarHBondContact O-N 2.92Å; T913-L916 VanDerWaalsContact O-N 3.09Å; T913-L916 PolarHBondContact OG1-N 3.47Å; W914-L916 VanDerWaalsContact C-N 3.27Å; W914-L916 PolarHBondContact O-N 2.97Å; L916-K919 PolarHBondContact O-N 3.48Å; L916-V920 HydrophobicContact CD1-CG2 4.45Å; L916-V920 VanDerWaalsContact O-CG2 3.23Å; L916-V920 WeakPolarHBondContact O-CG2 3.35Å; L916-V920 PolarHBondContact O-N 3.38Å
917V98Very high97Very high0 Ų053.2 Ų53.20%028%0.284CS..Hα-helixtrans-65.2-45.2179.5-176.30000111.4L856 V860 L896 V900 I912 T913 W914 K919 V920 I921 T949L856-V917 HydrophobicContact CD1-CG2 4.2Å; V860-V917 HydrophobicContact CG2-CG1 4.37Å; L896-V917 HydrophobicContact CD1-CG1 4.43Å; L896-V917 HydrophobicContact CD2-CG1 4.35Å; V900-V917 HydrophobicContact CG2-CG2 3.61Å; I912-V917 HydrophobicContact CG2-CG2 3.94Å; T913-V917 PolarHBondContact O-N 2.89Å; T913-V917 VanDerWaalsContact O-N 3.13Å; W914-V917 HydrophobicContact CE3-CB 4.39Å; W914-V917 HydrophobicContact CZ3-CG1 4.48Å; W914-V917 PolarHBondContact O-N 3.49Å; W914-V917 VanDerWaalsContact O-N 3.11Å; V917-K919 VanDerWaalsContact C-N 3.33Å; V917-K919 PolarHBondContact O-N 3.47Å; V917-V920 CarbonylContact O-C 3.36Å; V917-V920 PolarHBondContact O-N 2.85Å; V917-V920 VanDerWaalsContact O-N 3.12Å; V917-I921 HydrophobicContact CG1-CD1 4.02Å; V917-I921 HydrophobicContact CG1-CG1 4.35Å; V917-I921 WeakPolarHBondContact O-CG1 3.35Å; V917-I921 PolarHBondContact O-N 3.42Å; V917-T949 HydrophobicContact CG1-CG2 4.08Å
918E98.2Very high97Very high83 Ų8350.4 Ų50.439%0.38826%0.26SS..Hα-helixtrans-59.7-43.1177.3-176.9173.6-145.200111.9W914 V920 I921 A922W914-E918 HydrophobicContact CD2-CB 4.35Å; W914-E918 HydrophobicContact CH2-CB 4.12Å; W914-E918 HydrophobicContact CZ2-CB 3.79Å; W914-E918 HydrophobicContact CZ2-CG 3.97Å; W914-E918 PolarHBondContact NE1-OE2 3.3Å; W914-E918 WeakPolarHBondContact O-CB 3.37Å; W914-E918 PolarHBondContact O-N 3.11Å; E918-V920 VanDerWaalsContact C-N 3.34Å; E918-V920 PolarHBondContact O-N 2.62Å; E918-I921 PolarHBondContact O-N 3.28Å; E918-A922 PolarHBondContact O-N 3.48Å
919K98.1Very high96.9Very high121 Ų12150.2 Ų50.253%0.52626%0.255SS..Hα-helixtrans-58.3-47.2173.1176.8-178.3169.3-177.50111.1Q915 L916 V917 I921 A922 E923Q915-K919 VanDerWaalsContact O-CB 3.29Å; Q915-K919 WeakPolarHBondContact O-CB 3.38Å; Q915-K919 PolarHBondContact O-N 2.97Å; Q915-K919 VanDerWaalsContact O-N 3.09Å; L916-K919 PolarHBondContact O-N 3.48Å; V917-K919 VanDerWaalsContact C-N 3.33Å; V917-K919 PolarHBondContact O-N 3.47Å; K919-I921 VanDerWaalsContact C-N 3.34Å; K919-I921 PolarHBondContact O-N 2.81Å; K919-A922 PolarHBondContact O-N 3.23Å; K919-E923 WeakPolarHBondContact CE-OE1 3.41Å; K919-E923 IonicContact NZ-OE1 3.79Å; K919-E923 WeakPolarHBondContact O-CG 3.28Å; K919-E923 PolarHBondContact O-N 3.36Å
920V98.3Very high96.9Very high0 Ų055.9 Ų55.90%026%0.262CS..Hα-helixtrans-64.3-38.8178.8173.80000111.4L856 R857 V860 L916 V917 E918 A922 E923 E924L856-V920 HydrophobicContact CD2-CB 4.43Å; L856-V920 HydrophobicContact CD2-CG2 3.75Å; R857-V920 HydrophobicContact CB-CG1 4.34Å; R857-V920 HydrophobicContact CG-CG1 3.7Å; V860-V920 HydrophobicContact CB-CG1 4.05Å; V860-V920 HydrophobicContact CG1-CG1 4.21Å; V860-V920 HydrophobicContact CG2-CG1 3.9Å; L916-V920 HydrophobicContact CD1-CG2 4.45Å; L916-V920 VanDerWaalsContact O-CG2 3.23Å; L916-V920 WeakPolarHBondContact O-CG2 3.35Å; L916-V920 PolarHBondContact O-N 3.38Å; V917-V920 CarbonylContact O-C 3.36Å; V917-V920 PolarHBondContact O-N 2.85Å; V917-V920 VanDerWaalsContact O-N 3.12Å; E918-V920 VanDerWaalsContact C-N 3.34Å; E918-V920 PolarHBondContact O-N 2.62Å; V920-A922 VanDerWaalsContact C-N 3.35Å; V920-A922 PolarHBondContact O-N 3.11Å; V920-E923 PolarHBondContact O-N 3.31Å; V920-E924 HydrophobicContact CG1-CG 4.11Å; V920-E924 WeakPolarHBondContact O-CB 3.21Å; V920-E924 WeakPolarHBondContact O-CG 3.45Å; V920-E924 PolarHBondContact O-N 2.96Å
921I98.4Very high96.5Very high1 Ų156.7 Ų56.71%0.00527%0.265CS..Hα-helixtrans-57.3-48.1173.5-69.4167.4000110.5V860 W914 V917 E918 K919 E923 E924 V925 A942 L945 K946V860-I921 HydrophobicContact CG1-CB 4.32Å; V860-I921 HydrophobicContact CG1-CG1 3.77Å; V860-I921 HydrophobicContact CG2-CG1 4.18Å; W914-I921 HydrophobicContact CH2-CD1 4.4Å; W914-I921 HydrophobicContact CZ3-CD1 4.44Å; V917-I921 HydrophobicContact CG1-CD1 4.02Å; V917-I921 HydrophobicContact CG1-CG1 4.35Å; V917-I921 WeakPolarHBondContact O-CG1 3.35Å; V917-I921 PolarHBondContact O-N 3.42Å; E918-I921 PolarHBondContact O-N 3.28Å; K919-I921 VanDerWaalsContact C-N 3.34Å; K919-I921 PolarHBondContact O-N 2.81Å; I921-E923 PolarHBondContact O-N 2.62Å; I921-E924 PolarHBondContact O-N 3.38Å; I921-V925 HydrophobicContact CG2-CG2 4.44Å; I921-V925 VanDerWaalsContact O-CG2 3.27Å; I921-V925 WeakPolarHBondContact O-CG2 3.4Å; I921-V925 PolarHBondContact O-N 2.89Å; I921-A942 HydrophobicContact CG2-CB 4.17Å; I921-L945 HydrophobicContact CD1-CD2 4.19Å; I921-L945 HydrophobicContact CD1-CG 4.05Å; I921-L945 HydrophobicContact CG1-CD2 4.07Å; I921-L945 HydrophobicContact CG1-CG 4.49Å; I921-K946 HydrophobicContact CD1-CG 3.87Å; I921-K946 HydrophobicContact CG2-CG 4.34Å
922A97.4Very high96Very high58 Ų5857.6 Ų57.648%0.47928%0.279SS..Hα-helixtrans-62.4-42.6178.900000112.3E918 K919 V920 V925 E926E918-A922 PolarHBondContact O-N 3.48Å; K919-A922 PolarHBondContact O-N 3.23Å; V920-A922 VanDerWaalsContact C-N 3.35Å; V920-A922 PolarHBondContact O-N 3.11Å; A922-V925 PolarHBondContact O-N 3.45Å; A922-E926 PolarHBondContact O-N 3.41Å
923E98.1Very high95.4Very high66 Ų6659 Ų5931%0.30829%0.288SS..Hα-helixtrans-64.6-42.3178.1-71.1173.3172.200112.4R857 K919 V920 I921 E926 E927R857-E923 IonicContact CZ-OE2 2.81Å; R857-E923 IonicContact NH1-OE2 2.73Å; R857-E923 PolarHBondContact NH1-OE2 3.41Å; R857-E923 IonicContact NH2-OE2 2.76Å; R857-E923 PolarHBondContact NH2-OE2 3.13Å; K919-E923 WeakPolarHBondContact CE-OE1 3.41Å; K919-E923 IonicContact NZ-OE1 3.79Å; K919-E923 WeakPolarHBondContact O-CG 3.28Å; K919-E923 PolarHBondContact O-N 3.36Å; V920-E923 PolarHBondContact O-N 3.31Å; I921-E923 PolarHBondContact O-N 2.62Å; E923-E926 PolarHBondContact O-N 3.42Å; E923-E927 PolarHBondContact O-N 2.89Å
924E97.2Very high94.3Very high22 Ų2265.7 Ų65.710%0.10331%0.312CS..Hα-helixtrans-71.6-32.2178.1-69.3-58.5134.900112.5R857 V860 S861 L864 V920 I921 E926 E927 W928R857-E924 IonicContact NH1-OE1 2.63Å; V860-E924 HydrophobicContact CB-CG 4.37Å; V860-E924 HydrophobicContact CG1-CB 3.87Å; V860-E924 HydrophobicContact CG1-CG 3.82Å; S861-E924 WeakPolarHBondContact CB-OE2 3.49Å; S861-E924 PolarHBondContact OG-OE2 3.06Å; L864-E924 HydrophobicContact CD1-CB 3.81Å; V920-E924 HydrophobicContact CG1-CG 4.11Å; V920-E924 WeakPolarHBondContact O-CB 3.21Å; V920-E924 WeakPolarHBondContact O-CG 3.45Å; V920-E924 PolarHBondContact O-N 2.96Å; I921-E924 PolarHBondContact O-N 3.38Å; E924-E926 VanDerWaalsContact C-N 3.33Å; E924-E926 PolarHBondContact O-N 3.05Å; E924-E927 PolarHBondContact O-N 2.72Å; E924-W928 VanDerWaalsContact O-CD1 3.26Å; E924-W928 PolarHBondContact O-N 3.41Å
925V96.7Very high93.3Very high14 Ų1464.9 Ų64.99%0.08532%0.315CS..Hα-helixtrans-59.8-44.8171.1165.20000110.7L864 I921 A922 E927 W928 K929 L938 A942L864-V925 HydrophobicContact CD1-CG2 3.95Å; L864-V925 HydrophobicContact CD2-CG2 4.36Å; I921-V925 HydrophobicContact CG2-CG2 4.44Å; I921-V925 VanDerWaalsContact O-CG2 3.27Å; I921-V925 WeakPolarHBondContact O-CG2 3.4Å; I921-V925 PolarHBondContact O-N 2.89Å; A922-V925 PolarHBondContact O-N 3.45Å; V925-E927 VanDerWaalsContact C-N 3.31Å; V925-E927 PolarHBondContact O-N 3.13Å; V925-W928 PolarHBondContact O-N 3.5Å; V925-K929 WeakPolarHBondContact O-CG 3.47Å; V925-K929 PolarHBondContact O-N 3.49Å; V925-L938 HydrophobicContact CG1-CD2 4.3Å; V925-A942 HydrophobicContact CG2-CB 3.67Å
926E96Very high92.6Very high87 Ų8762.4 Ų62.441%0.40732%0.316SS..Hα-helixtrans-67.2-33.5176.5-67-54.2124.200112.3A922 E923 E924 K929 R930A922-E926 PolarHBondContact O-N 3.41Å; E923-E926 PolarHBondContact O-N 3.42Å; E924-E926 VanDerWaalsContact C-N 3.33Å; E924-E926 PolarHBondContact O-N 3.05Å; E926-K929 PolarHBondContact O-N 3Å; E926-K929 IonicContact OE1-NZ 2.66Å; E926-K929 PolarHBondContact OE1-NZ 2.79Å; E926-R930 WeakPolarHBondContact O-CG 3.4Å; E926-R930 PolarHBondContact O-N 3.15Å
927E95.6Very high92.3Very high50 Ų5061.9 Ų61.923%0.23431%0.314CS..Hα-helixtrans-65.5-44.1173.5-179.656.7-161.500112.4E923 E924 V925 K929 R930 R931E923-E927 PolarHBondContact O-N 2.89Å; E924-E927 PolarHBondContact O-N 2.72Å; V925-E927 VanDerWaalsContact C-N 3.31Å; V925-E927 PolarHBondContact O-N 3.13Å; E927-K929 VanDerWaalsContact C-N 3.31Å; E927-K929 PolarHBondContact O-N 3.43Å; E927-R930 WeakPolarHBondContact O-CB 3.25Å; E927-R930 PolarHBondContact O-N 2.98Å; E927-R930 VanDerWaalsContact O-N 3.13Å; E927-R930 IonicContact OE2-CZ 2.63Å; E927-R930 VanDerWaalsContact OE2-CZ 3.22Å; E927-R930 IonicContact OE2-NE 3.99Å; E927-R930 PolarHBondContact OE2-NE 2.82Å; E927-R930 IonicContact OE2-NH2 3.98Å; E927-R930 PolarHBondContact OE2-NH2 3.23Å; E927-R931 WeakPolarHBondContact O-CG 3.5Å; E927-R931 PolarHBondContact O-N 2.76Å; E927-R931 IonicContact OE1-CZ 3.42Å; E927-R931 IonicContact OE1-NE 3.42Å; E927-R931 PolarHBondContact OE1-NE 3.46Å; E927-R931 IonicContact OE1-NH2 3.75Å; E927-R931 PolarHBondContact OE1-NH2 3.27Å; E927-R931 VanDerWaalsContact OE1-NH2 3.15Å
928W94.6Very high92.1Very high30 Ų3062 Ų6211%0.11431%0.314CS..Hα-helixtrans-62.1-37.8174.3-84.7109.3000112.7S861 L879 E924 V925 R931 G932 V933 L938S861-W928 PolarHBondContact O-NE1 2.78Å; S861-W928 PolarHBondContact OG-NE1 2.96Å; L879-W928 HydrophobicContact CD2-CH2 3.61Å; L879-W928 HydrophobicContact CD2-CZ2 4.08Å; E924-W928 VanDerWaalsContact O-CD1 3.26Å; E924-W928 PolarHBondContact O-N 3.41Å; V925-W928 PolarHBondContact O-N 3.5Å; W928-R931 PolarHBondContact O-N 2.71Å; W928-G932 PolarHBondContact O-N 3.49Å; W928-V933 HydrophobicContact CE3-CG2 3.64Å; W928-V933 HydrophobicContact CZ3-CG2 4.17Å; W928-V933 WeakPolarHBondContact O-CB 3.28Å; W928-V933 PolarHBondContact O-N 3.35Å; W928-L938 HydrophobicContact CB-CD1 4.18Å; W928-L938 HydrophobicContact CB-CD2 3.79Å; W928-L938 HydrophobicContact CG-CD1 4.44Å
929K93.9Very high91.8Very high86 Ų8660.8 Ų60.837%0.37432%0.315SS..Hα-helixtrans-61.9-43171.7-71.3174.3-173.2169.40111.9V925 E926 E927 R931 G932 L938V925-K929 WeakPolarHBondContact O-CG 3.47Å; V925-K929 PolarHBondContact O-N 3.49Å; E926-K929 PolarHBondContact O-N 3Å; E926-K929 IonicContact OE1-NZ 2.66Å; E926-K929 PolarHBondContact OE1-NZ 2.79Å; E927-K929 VanDerWaalsContact C-N 3.31Å; E927-K929 PolarHBondContact O-N 3.43Å; K929-R931 VanDerWaalsContact C-N 3.28Å; K929-R931 PolarHBondContact O-N 3.47Å; K929-G932 PolarHBondContact O-N 3.47Å; K929-L938 HydrophobicContact CG-CD2 4.08Å
930R93.8Very high91.6Very high167 Ų16757.4 Ų57.463%0.6330%0.302SS*.Hα-helixtrans-61.8-35.2174.8-75.8-172.1-66.7-933.7112.4E926 E927 G932E926-R930 WeakPolarHBondContact O-CG 3.4Å; E926-R930 PolarHBondContact O-N 3.15Å; E927-R930 WeakPolarHBondContact O-CB 3.25Å; E927-R930 PolarHBondContact O-N 2.98Å; E927-R930 VanDerWaalsContact O-N 3.13Å; E927-R930 IonicContact OE2-CZ 2.63Å; E927-R930 VanDerWaalsContact OE2-CZ 3.22Å; E927-R930 IonicContact OE2-NE 3.99Å; E927-R930 PolarHBondContact OE2-NE 2.82Å; E927-R930 IonicContact OE2-NH2 3.98Å; E927-R930 PolarHBondContact OE2-NH2 3.23Å; R930-G932 PolarHBondContact O-N 3.33Å
931R89.6Confident91.5Very high115 Ų11557.4 Ų57.443%0.43430%0.302SS..THydrogen-bonded Turntrans-73.2-2.3173.8-66.4175.6-170.4172.96.4114.2Y880 E927 W928 K929Y880-R931 PolarHBondContact OH-NH1 3.11Å; E927-R931 WeakPolarHBondContact O-CG 3.5Å; E927-R931 PolarHBondContact O-N 2.76Å; E927-R931 IonicContact OE1-CZ 3.42Å; E927-R931 IonicContact OE1-NE 3.42Å; E927-R931 PolarHBondContact OE1-NE 3.46Å; E927-R931 IonicContact OE1-NH2 3.75Å; E927-R931 PolarHBondContact OE1-NH2 3.27Å; E927-R931 VanDerWaalsContact OE1-NH2 3.15Å; W928-R931 PolarHBondContact O-N 2.71Å; K929-R931 VanDerWaalsContact C-N 3.28Å; K929-R931 PolarHBondContact O-N 3.47Å
932G86.4Confident91.4Very high51 Ų5157.6 Ų57.653%0.52630%0.303SS..THydrogen-bonded Turntrans103.31.3172.900000115.3W928 K929 R930 K934W928-G932 PolarHBondContact O-N 3.49Å; K929-G932 PolarHBondContact O-N 3.47Å; R930-G932 PolarHBondContact O-N 3.33Å; G932-K934 PolarHBondContact O-N 3.11Å; G932-K934 VanDerWaalsContact O-N 3.11Å
933V85.1Confident91.3Very high31 Ų3159 Ų5919%0.18830%0.302CS..  trans-77.2100.4175.7-177.60000109.2E868 W928 L938E868-V933 HydrophobicContact CG-CG1 4.05Å; W928-V933 HydrophobicContact CE3-CG2 3.64Å; W928-V933 HydrophobicContact CZ3-CG2 4.17Å; W928-V933 WeakPolarHBondContact O-CB 3.28Å; W928-V933 PolarHBondContact O-N 3.35Å; V933-L938 HydrophobicContact CB-CD2 4.5Å; V933-L938 HydrophobicContact CG1-CB 4.3Å; V933-L938 HydrophobicContact CG1-CD2 4.18Å
934K73.2Confident91.1Very high193 Ų19355.9 Ų55.984%0.83929%0.288SS*.  trans-103.318.9179.8-64.6-174.3179.6-179.80113.7G932G932-K934 PolarHBondContact O-N 3.11Å; G932-K934 VanDerWaalsContact O-N 3.11Å
935S76Confident91.2Very high34 Ų3454.8 Ų54.824%0.23828%0.283CS..  trans-76.8137.8-174.5-177.70000112.3E868 T937 L938E868-S935 WeakPolarHBondContact OE1-CB 3.46Å; E868-S935 PolarHBondContact OE1-OG 3.2Å; S935-T937 PolarHBondContact O-N 3.44Å; S935-T937 WeakPolarHBondContact OG-CB 3.29Å; S935-T937 PolarHBondContact OG-N 3.26Å; S935-T937 VanDerWaalsContact OG-N 3.08Å; S935-T937 PolarHBondContact OG-OG1 3.41Å; S935-L938 WeakPolarHBondContact O-CB 3.25Å; S935-L938 PolarHBondContact O-N 3.45Å; S935-L938 VanDerWaalsContact O-N 3.11Å
936A83.2Confident91.2Very high75 Ų7557 Ų5762%0.6229%0.291SS*.Hα-helixtrans-58.2-26.2167.300000111.7L938 S939 E940A936-L938 PolarHBondContact O-N 3.13Å; A936-S939 WeakPolarHBondContact O-CB 3.48Å; A936-S939 PolarHBondContact O-N 3.45Å; A936-E940 PolarHBondContact O-N 3.04Å
937T90.1Very high91.2Very high15 Ų1557.1 Ų57.19%0.09229%0.292CS..Hα-helixtrans-66.1-23.7177.8-41.20000113L871 R872 S935 S939 E940 A941L871-T937 HydrophobicContact CB-CG2 3.24Å; L871-T937 HydrophobicContact CD1-CG2 3.94Å; L871-T937 HydrophobicContact CG-CG2 4.24Å; R872-T937 HydrophobicContact CG-CG2 4.3Å; S935-T937 PolarHBondContact O-N 3.44Å; S935-T937 WeakPolarHBondContact OG-CB 3.29Å; S935-T937 PolarHBondContact OG-N 3.26Å; S935-T937 VanDerWaalsContact OG-N 3.08Å; S935-T937 PolarHBondContact OG-OG1 3.41Å; T937-S939 VanDerWaalsContact C-N 3.31Å; T937-S939 PolarHBondContact O-N 2.88Å; T937-E940 PolarHBondContact O-N 3.33Å; T937-A941 WeakPolarHBondContact O-CB 3.41Å; T937-A941 PolarHBondContact O-N 3.19Å
938L94.5Very high91.2Very high2 Ų254.8 Ų54.81%0.0128%0.281CS..Hα-helixtrans-64.4-38.4174.6-178.762.3000111.3L864 E868 V925 W928 K929 V933 S935 A936 A941 A942L864-L938 HydrophobicContact CB-CD1 4.47Å; E868-L938 HydrophobicContact CB-CD1 4.38Å; E868-L938 HydrophobicContact CG-CB 4.02Å; E868-L938 HydrophobicContact CG-CD1 4.29Å; V925-L938 HydrophobicContact CG1-CD2 4.3Å; W928-L938 HydrophobicContact CB-CD1 4.18Å; W928-L938 HydrophobicContact CB-CD2 3.79Å; W928-L938 HydrophobicContact CG-CD1 4.44Å; K929-L938 HydrophobicContact CG-CD2 4.08Å; V933-L938 HydrophobicContact CB-CD2 4.5Å; V933-L938 HydrophobicContact CG1-CB 4.3Å; V933-L938 HydrophobicContact CG1-CD2 4.18Å; S935-L938 WeakPolarHBondContact O-CB 3.25Å; S935-L938 PolarHBondContact O-N 3.45Å; S935-L938 VanDerWaalsContact O-N 3.11Å; A936-L938 PolarHBondContact O-N 3.13Å; L938-A941 PolarHBondContact O-N 2.96Å; L938-A942 WeakPolarHBondContact O-CB 3.47Å; L938-A942 PolarHBondContact O-N 2.87Å
939S92.4Very high91.3Very high59 Ų5953.4 Ų53.441%0.41328%0.276SS..Hα-helixtrans-66.3-42.9175-58.70000111.2A936 T937 A941 A942 D943A936-S939 WeakPolarHBondContact O-CB 3.48Å; A936-S939 PolarHBondContact O-N 3.45Å; T937-S939 VanDerWaalsContact C-N 3.31Å; T937-S939 PolarHBondContact O-N 2.88Å; S939-A941 VanDerWaalsContact C-N 3.31Å; S939-A941 PolarHBondContact O-N 2.96Å; S939-A942 PolarHBondContact O-N 3.03Å; S939-D943 PolarHBondContact O-N 3.2Å
940E93.2Very high91.3Very high50 Ų5053.1 Ų53.123%0.23428%0.281CS..Hα-helixtrans-61.6-39.8175.7-64.5174.5-131.400112.5L871 A936 T937 D943 L944 K969L871-E940 HydrophobicContact CD1-CB 4.24Å; A936-E940 PolarHBondContact O-N 3.04Å; T937-E940 PolarHBondContact O-N 3.33Å; E940-D943 PolarHBondContact O-N 3.1Å; E940-L944 WeakPolarHBondContact O-CB 3.27Å; E940-L944 PolarHBondContact O-N 3.49Å; E940-K969 VanDerWaalsContact CD-NZ 3.28Å; E940-K969 IonicContact OE1-NZ 2.97Å; E940-K969 PolarHBondContact OE1-NZ 2.72Å; E940-K969 WeakPolarHBondContact OE2-CE 3.43Å; E940-K969 IonicContact OE2-NZ 2.71Å; E940-K969 PolarHBondContact OE2-NZ 2.64Å
941A95.4Very high91.4Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-64.2-43.8175.100000111M867 E868 L871 T937 L938 S939 D943 L944 L945M867-A941 HydrophobicContact CB-CB 3.83Å; M867-A941 HydrophobicContact CE-CB 4.03Å; M867-A941 WeakPolarHBondContact CE-O 3.35Å; E868-A941 HydrophobicContact CB-CB 4.33Å; L871-A941 HydrophobicContact CD1-CB 4.46Å; T937-A941 WeakPolarHBondContact O-CB 3.41Å; T937-A941 PolarHBondContact O-N 3.19Å; L938-A941 PolarHBondContact O-N 2.96Å; S939-A941 VanDerWaalsContact C-N 3.31Å; S939-A941 PolarHBondContact O-N 2.96Å; A941-D943 PolarHBondContact O-N 3.07Å; A941-L944 PolarHBondContact O-N 3.28Å; A941-L945 WeakPolarHBondContact O-CB 3.32Å; A941-L945 PolarHBondContact O-N 3.45Å
942A96.5Very high91.4Very high4 Ų448.4 Ų48.43%0.03327%0.274CS..Hα-helixtrans-61.7-44.5175.800000112.1L864 I921 V925 L938 S939 L945 K946L864-A942 VanDerWaalsContact CD2-CA 3.47Å; L864-A942 HydrophobicContact CD2-CB 3.79Å; I921-A942 HydrophobicContact CG2-CB 4.17Å; V925-A942 HydrophobicContact CG2-CB 3.67Å; L938-A942 WeakPolarHBondContact O-CB 3.47Å; L938-A942 PolarHBondContact O-N 2.87Å; S939-A942 PolarHBondContact O-N 3.03Å; A942-L945 PolarHBondContact O-N 3.12Å; A942-K946 VanDerWaalsContact O-CG 3.25Å; A942-K946 WeakPolarHBondContact O-CG 3.28Å; A942-K946 PolarHBondContact O-N 3.03Å
943D95.5Very high91.7Very high87 Ų8750.1 Ų50.147%0.46527%0.268SS..Hα-helixtrans-65.8-40.2179.7-69.3-21.5000112S939 E940 A941 K946 E947S939-D943 PolarHBondContact O-N 3.2Å; E940-D943 PolarHBondContact O-N 3.1Å; A941-D943 PolarHBondContact O-N 3.07Å; D943-K946 PolarHBondContact O-N 2.91Å; D943-K946 IonicContact OD1-NZ 3.19Å; D943-K946 PolarHBondContact OD1-NZ 3.48Å; D943-E947 WeakPolarHBondContact O-CB 3.36Å; D943-E947 PolarHBondContact O-N 2.82Å
944L95.3Very high92.1Very high1 Ų149 Ų491%0.00526%0.261CS..Hα-helixtrans-67.3-39.3174.8-179.760.4000111.9M867 E940 A941 K946 E947 L948 K961 A962 K965M867-L944 HydrophobicContact CE-CB 3.62Å; M867-L944 HydrophobicContact CE-CD2 3.79Å; M867-L944 HydrophobicContact CE-CG 3.75Å; E940-L944 WeakPolarHBondContact O-CB 3.27Å; E940-L944 PolarHBondContact O-N 3.49Å; A941-L944 PolarHBondContact O-N 3.28Å; L944-K946 VanDerWaalsContact C-N 3.33Å; L944-K946 PolarHBondContact O-N 2.89Å; L944-E947 PolarHBondContact O-N 3.29Å; L944-L948 HydrophobicContact CD1-CD1 4.16Å; L944-L948 HydrophobicContact CD1-CD2 4.49Å; L944-L948 HydrophobicContact CD1-CG 4.05Å; L944-L948 HydrophobicContact CG-CD1 3.94Å; L944-L948 HydrophobicContact CG-CG 4.3Å; L944-L948 WeakPolarHBondContact O-CB 3.34Å; L944-L948 WeakPolarHBondContact O-CG 3.12Å; L944-L948 PolarHBondContact O-N 3.42Å; L944-K961 HydrophobicContact CD1-CB 3.73Å; L944-K961 HydrophobicContact CD1-CD 4.13Å; L944-A962 HydrophobicContact CD2-CB 3.85Å; L944-K965 HydrophobicContact CD2-CD 4.43Å
945L97.5Very high93Very high0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-61.9-42174.9176.656.1000111.6V860 T863 L864 M867 R893 L896 I921 A941 A942 L948 T949V860-L945 HydrophobicContact CG1-CD2 4.26Å; T863-L945 HydrophobicContact CG2-CD1 3.71Å; T863-L945 HydrophobicContact CG2-CD2 4.29Å; T863-L945 HydrophobicContact CG2-CG 4.46Å; L864-L945 HydrophobicContact CD2-CD2 3.97Å; L864-L945 HydrophobicContact CG-CD2 3.97Å; M867-L945 HydrophobicContact CE-CB 4.41Å; R893-L945 HydrophobicContact CB-CD1 4.05Å; L896-L945 HydrophobicContact CD1-CD1 4.23Å; I921-L945 HydrophobicContact CD1-CD2 4.19Å; I921-L945 HydrophobicContact CD1-CG 4.05Å; I921-L945 HydrophobicContact CG1-CD2 4.07Å; I921-L945 HydrophobicContact CG1-CG 4.49Å; A941-L945 WeakPolarHBondContact O-CB 3.32Å; A941-L945 PolarHBondContact O-N 3.45Å; A942-L945 PolarHBondContact O-N 3.12Å; L945-L948 PolarHBondContact O-N 2.77Å; L945-T949 WeakPolarHBondContact O-CB 3.35Å; L945-T949 PolarHBondContact O-N 3.42Å; L945-T949 PolarHBondContact O-OG1 3.26Å
946K97.7Very high93.8Very high61 Ų6141.5 Ų41.527%0.26523%0.227SC..Hα-helixtrans-59-50.6174.9-68.2170.1-169.1164.20110.6W914 I921 A942 D943 L944 L948 T949 V950W914-K946 HydrophobicContact CH2-CB 3.65Å; W914-K946 HydrophobicContact CH2-CG 3.78Å; W914-K946 HydrophobicContact CZ2-CB 4.27Å; W914-K946 HydrophobicContact CZ2-CG 4.37Å; I921-K946 HydrophobicContact CD1-CG 3.87Å; I921-K946 HydrophobicContact CG2-CG 4.34Å; A942-K946 VanDerWaalsContact O-CG 3.25Å; A942-K946 WeakPolarHBondContact O-CG 3.28Å; A942-K946 PolarHBondContact O-N 3.03Å; D943-K946 PolarHBondContact O-N 2.91Å; D943-K946 IonicContact OD1-NZ 3.19Å; D943-K946 PolarHBondContact OD1-NZ 3.48Å; L944-K946 VanDerWaalsContact C-N 3.33Å; L944-K946 PolarHBondContact O-N 2.89Å; K946-L948 VanDerWaalsContact C-N 3.35Å; K946-L948 PolarHBondContact O-N 3.4Å; K946-T949 PolarHBondContact O-N 2.99Å; K946-V950 WeakPolarHBondContact O-CG1 3.26Å; K946-V950 PolarHBondContact O-N 3.39Å; K946-V950 VanDerWaalsContact O-N 3.1Å
947E96.3Very high94.4Very high89 Ų8938.2 Ų38.242%0.41620%0.199SC..Hα-helixtrans-57-45.6179-173.2-172.1162.300112.2D943 L944 T949 S951 K961D943-E947 WeakPolarHBondContact O-CB 3.36Å; D943-E947 PolarHBondContact O-N 2.82Å; L944-E947 PolarHBondContact O-N 3.29Å; E947-T949 VanDerWaalsContact C-N 3.33Å; E947-T949 PolarHBondContact O-N 2.94Å; E947-S951 WeakPolarHBondContact O-CB 3.4Å; E947-S951 PolarHBondContact O-N 2.9Å; E947-K961 WeakPolarHBondContact OE1-CD 3.35Å; E947-K961 WeakPolarHBondContact OE1-CE 3.36Å; E947-K961 IonicContact OE1-NZ 3.7Å; E947-K961 PolarHBondContact OE1-NZ 2.87Å
948L95.8Very high94.6Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-69.8-27.8-179.8-67.9171.3000113.2L944 L945 K946 S951 P955 L958 K961L944-L948 HydrophobicContact CD1-CD1 4.16Å; L944-L948 HydrophobicContact CD1-CD2 4.49Å; L944-L948 HydrophobicContact CD1-CG 4.05Å; L944-L948 HydrophobicContact CG-CD1 3.94Å; L944-L948 HydrophobicContact CG-CG 4.3Å; L944-L948 WeakPolarHBondContact O-CB 3.34Å; L944-L948 WeakPolarHBondContact O-CG 3.12Å; L944-L948 PolarHBondContact O-N 3.42Å; L945-L948 PolarHBondContact O-N 2.77Å; K946-L948 VanDerWaalsContact C-N 3.35Å; K946-L948 PolarHBondContact O-N 3.4Å; L948-S951 PolarHBondContact O-OG 2.91Å; L948-P955 HydrophobicContact CD2-CB 3.76Å; L948-P955 HydrophobicContact CD2-CG 3.62Å; L948-L958 HydrophobicContact CD1-CB 3.68Å; L948-K961 HydrophobicContact CD2-CD 4.06Å
949T96Very high94.6Very high2 Ų238 Ų381%0.01220%0.197CC..Hα-helixtrans-82.2-37.9-177.5-57.30000112.1L896 W897 V900 W914 V917 L945 K946 E947L896-T949 HydrophobicContact CB-CG2 3.95Å; W897-T949 VanDerWaalsContact CD1-O 3.3Å; V900-T949 HydrophobicContact CG2-CG2 4.33Å; W914-T949 HydrophobicContact CE3-CG2 4.15Å; W914-T949 HydrophobicContact CZ3-CG2 3.92Å; V917-T949 HydrophobicContact CG1-CG2 4.08Å; L945-T949 WeakPolarHBondContact O-CB 3.35Å; L945-T949 PolarHBondContact O-N 3.42Å; L945-T949 PolarHBondContact O-OG1 3.26Å; K946-T949 PolarHBondContact O-N 2.99Å; E947-T949 VanDerWaalsContact C-N 3.33Å; E947-T949 PolarHBondContact O-N 2.94Å
950V94.6Very high94.7Very high80 Ų8038.4 Ų38.449%0.48520%0.195SC..Hα-helixtrans-94.2-5-17577.50000113.5W914 K946 E952W914-V950 HydrophobicContact CD2-CB 4.17Å; W914-V950 HydrophobicContact CD2-CG2 3.99Å; W914-V950 HydrophobicContact CE3-CB 4.08Å; W914-V950 HydrophobicContact CE3-CG2 4.34Å; W914-V950 HydrophobicContact CG-CG2 4.15Å; W914-V950 HydrophobicContact CH2-CB 4.48Å; W914-V950 HydrophobicContact CZ3-CB 4.25Å; K946-V950 WeakPolarHBondContact O-CG1 3.26Å; K946-V950 PolarHBondContact O-N 3.39Å; K946-V950 VanDerWaalsContact O-N 3.1Å; V950-E952 PolarHBondContact O-N 2.75Å
951S94.4Very high94.7Very high26 Ų2639.3 Ų39.318%0.18220%0.198CC..  trans-60138.3-178.364.60000111.9W897 E947 L948 E953 P955W897-S951 PolarHBondContact NE1-O 3.43Å; E947-S951 WeakPolarHBondContact O-CB 3.4Å; E947-S951 PolarHBondContact O-N 2.9Å; L948-S951 PolarHBondContact O-OG 2.91Å; S951-E953 WeakPolarHBondContact CB-O 3.43Å; S951-E953 PolarHBondContact O-N 3.36Å; S951-E953 PolarHBondContact OG-O 3.25Å; S951-P955 VanDerWaalsContact OG-CD 3.22Å; S951-P955 WeakPolarHBondContact OG-CD 3.45Å; S951-P955 WeakPolarHBondContact OG-CG 3.43Å
952E91.1Very high94.6Very high156 Ų15639.3 Ų39.373%0.72920%0.198SC*.SBendtrans-62.4-46-176.8-177.2177.5-175.200112.2V950V950-E952 PolarHBondContact O-N 2.75Å
953E91.1Very high94.5Very high87 Ų8739.5 Ų39.541%0.40720%0.198SC..SBendtrans-94.5143169.3-71.7-63.7149.900109.9R727 R728 S951 P955R727-E953 IonicContact NE-OE2 3.51Å; R728-E953 IonicContact CZ-OE1 4Å; R728-E953 IonicContact NH2-OE1 2.82Å; R728-E953 PolarHBondContact NH2-OE1 2.71Å; R728-E953 IonicContact NH2-OE2 3.13Å; S951-E953 WeakPolarHBondContact CB-O 3.43Å; S951-E953 PolarHBondContact O-N 3.36Å; S951-E953 PolarHBondContact OG-O 3.25Å; E953-P955 VanDerWaalsContact O-CD 3.32Å; E953-P955 WeakPolarHBondContact O-CD 3.41Å
954M93.3Very high94.2Very high8 Ų839.2 Ų39.24%0.03920%0.196CC..PPolyproline II helixtrans-68.8121.9177.2-174168.9171.800109.4F720 I723 K724 R727 S894 W897F720-M954 HydrophobicContact CD2-CE 4.28Å; F720-M954 HydrophobicContact CE2-CE 3.87Å; I723-M954 HydrophobicContact CB-CE 4.46Å; I723-M954 HydrophobicContact CG2-CE 3.86Å; I723-M954 HydrophobicContact CG2-SD 4.07Å; K724-M954 HydrophobicContact CB-CE 4.05Å; K724-M954 HydrophobicContact CB-SD 4.37Å; K724-M954 HydrophobicContact CG-CE 4.42Å; K724-M954 HydrophobicContact CG-SD 4.48Å; R727-M954 HydrophobicContact CB-CB 4.4Å; R727-M954 HydrophobicContact CB-SD 3.88Å; S894-M954 VanDerWaalsContact CB-CE 3.46Å; S894-M954 WeakPolarHBondContact OG-CE 3.31Å; W897-M954 HydrophobicContact CD2-CB 4.07Å; W897-M954 HydrophobicContact CD2-CG 4.09Å; W897-M954 HydrophobicContact CD2-SD 4.38Å; W897-M954 HydrophobicContact CE3-CB 4.19Å; W897-M954 HydrophobicContact CE3-CG 4.14Å; W897-M954 HydrophobicContact CE3-SD 3.85Å; W897-M954 HydrophobicContact CH2-CB 3.95Å; W897-M954 HydrophobicContact CZ2-CB 3.78Å; W897-M954 HydrophobicContact CZ3-CB 4.15Å; W897-M954 HydrophobicContact CZ3-CG 4.47Å; W897-M954 HydrophobicContact CZ3-SD 4.07Å
955P92.2Very high94Very high18 Ų1841.8 Ų41.812%0.11721%0.207CC..PPolyproline II helixtrans-63.9137.5177.3-22.134.8000110.3R893 L948 S951 E953 F957R893-P955 VanDerWaalsContact CZ-O 3.3Å; R893-P955 PolarHBondContact NH1-O 3.23Å; R893-P955 PolarHBondContact NH2-O 3.33Å; L948-P955 HydrophobicContact CD2-CB 3.76Å; L948-P955 HydrophobicContact CD2-CG 3.62Å; S951-P955 VanDerWaalsContact OG-CD 3.22Å; S951-P955 WeakPolarHBondContact OG-CD 3.45Å; S951-P955 WeakPolarHBondContact OG-CG 3.43Å; E953-P955 VanDerWaalsContact O-CD 3.32Å; E953-P955 WeakPolarHBondContact O-CD 3.41Å; P955-F957 PolarHBondContact O-N 3.39Å
956E92.7Very high93.6Very high51 Ų5141.8 Ų41.824%0.23821%0.207CC..SBendtrans-61.2-46.7-177.7-81.5-63.4126.400112.1F720 K724 L960F720-E956 VanDerWaalsContact CZ-O 3.28Å; F720-E956 WeakPolarHBondContact CZ-O 3.46Å; K724-E956 WeakPolarHBondContact CD-OE2 3.3Å; K724-E956 WeakPolarHBondContact CE-OE2 3.47Å; K724-E956 IonicContact NZ-OE2 2.91Å; K724-E956 PolarHBondContact NZ-OE2 3.47Å; E956-L960 HydrophobicContact CB-CD1 4.4Å
957F96.1Very high93Very high7 Ų741.2 Ų41.23%0.03121%0.207CC..  trans-147.5142.8175.8-62.4-85.9000109.9H610 K654 F720 E890 P955 T959 L960H610-F957 HydrophobicContact CB-CD2 4.08Å; H610-F957 HydrophobicContact CB-CE2 3.82Å; H610-F957 AromaticContact CD2-CD2 3.17Å; H610-F957 WeakPolarHBondContact CD2-CD2 3.33Å; H610-F957 AromaticContact CD2-CE2 3.54Å; H610-F957 AromaticContact CD2-CG 3.56Å; H610-F957 AromaticContact CE1-CE1 3.91Å; H610-F957 AromaticContact CE1-CE2 3.93Å; H610-F957 AromaticContact CE1-CZ 3.83Å; H610-F957 AromaticContact CG-CD2 3.53Å; H610-F957 AromaticContact CG-CE2 3.38Å; H610-F957 AromaticContact ND1-CE2 3.63Å; H610-F957 AromaticContact ND1-CZ 3.76Å; H610-F957 AromaticContact NE2-CD1 3.74Å; H610-F957 AromaticContact NE2-CD2 3.59Å; H610-F957 AromaticContact NE2-CE2 3.89Å; H610-F957 AromaticContact NE2-CG 3.51Å; K654-F957 HydrophobicContact CD-CE1 3.72Å; K654-F957 HydrophobicContact CD-CZ 4.18Å; F720-F957 AromaticContact CE1-CD1 3.83Å; F720-F957 HydrophobicContact CE1-CD1 3.83Å; F720-F957 AromaticContact CE1-CE1 3.73Å; F720-F957 HydrophobicContact CE1-CE1 3.73Å; F720-F957 HydrophobicContact CZ-CD1 4.18Å; F720-F957 HydrophobicContact CZ-CE1 4.36Å; E890-F957 WeakPolarHBondContact OE1-CA 3.29Å; E890-F957 WeakPolarHBondContact OE1-CB 3.36Å; P955-F957 PolarHBondContact O-N 3.39Å; F957-T959 PolarHBondContact O-N 3.11Å; F957-L960 HydrophobicContact CB-CD1 4.36Å; F957-L960 HydrophobicContact CB-CG 4.24Å
958L95.7Very high92.3Very high1 Ų144.9 Ų44.91%0.00522%0.221CC..Hα-helixtrans-65.5-32.7173.474.286.9000111.3M867 A889 E890 R893 L948 L960 K961 A962M867-L958 HydrophobicContact CG-CD1 4.4Å; A889-L958 HydrophobicContact CB-CD2 3.6Å; E890-L958 HydrophobicContact CB-CD2 4.5Å; E890-L958 HydrophobicContact CG-CD2 3.8Å; E890-L958 HydrophobicContact CG-CG 4.21Å; E890-L958 WeakPolarHBondContact OE1-CG 3.48Å; E890-L958 PolarHBondContact OE1-N 2.82Å; E890-L958 PolarHBondContact OE2-N 2.8Å; R893-L958 HydrophobicContact CG-CD2 4.36Å; L948-L958 HydrophobicContact CD1-CB 3.68Å; L958-L960 PolarHBondContact O-N 3.29Å; L958-K961 PolarHBondContact O-N 3.09Å; L958-A962 HydrophobicContact CD1-CB 4.48Å; L958-A962 WeakPolarHBondContact O-CB 3.29Å; L958-A962 PolarHBondContact O-N 3.12Å
959T94Very high91.6Very high10 Ų1048.6 Ų48.66%0.06124%0.237CC..Hα-helixtrans-61.8-30.2-176.650.40000112W870 A886 F957 A962 Y963W870-T959 HydrophobicContact CZ2-CG2 4.26Å; A886-T959 HydrophobicContact CB-CG2 4.25Å; F957-T959 PolarHBondContact O-N 3.11Å; T959-A962 PolarHBondContact O-N 3.29Å; T959-Y963 WeakPolarHBondContact O-CB 3.44Å; T959-Y963 PolarHBondContact O-N 2.81Å
960L94.4Very high90.4Very high69 Ų6950.6 Ų50.636%0.36126%0.258SS..Hα-helixtrans-60.1-53177.4-66.6172.8000111.8L611 E956 F957 L958 D964L611-L960 HydrophobicContact CD2-CD2 4.16Å; E956-L960 HydrophobicContact CB-CD1 4.4Å; F957-L960 HydrophobicContact CB-CD1 4.36Å; F957-L960 HydrophobicContact CB-CG 4.24Å; L958-L960 PolarHBondContact O-N 3.29Å; L960-D964 PolarHBondContact O-N 3.13Å
961K93.2Very high89.3Confident68 Ų6850.2 Ų50.230%0.29625%0.253SS..Hα-helixtrans-73.7-32.6178.8-67.8-168.8-179.7-1740112.6L944 E947 L948 L958 Y963L944-K961 HydrophobicContact CD1-CB 3.73Å; L944-K961 HydrophobicContact CD1-CD 4.13Å; E947-K961 WeakPolarHBondContact OE1-CD 3.35Å; E947-K961 WeakPolarHBondContact OE1-CE 3.36Å; E947-K961 IonicContact OE1-NZ 3.7Å; E947-K961 PolarHBondContact OE1-NZ 2.87Å; L948-K961 HydrophobicContact CD2-CD 4.06Å; L958-K961 PolarHBondContact O-N 3.09Å; K961-Y963 VanDerWaalsContact C-N 3.34Å
962A93.9Very high89.1Confident1 Ų151.5 Ų51.51%0.00826%0.257CS..Hα-helixtrans-67.6-37.8176.500000111.2W870 L871 L944 L958 T959 D964 K965 L966W870-A962 HydrophobicContact CE3-CB 3.85Å; W870-A962 HydrophobicContact CH2-CB 3.89Å; W870-A962 VanDerWaalsContact CZ3-C 3.49Å; W870-A962 HydrophobicContact CZ3-CB 3.39Å; L871-A962 HydrophobicContact CD2-CB 4.42Å; L944-A962 HydrophobicContact CD2-CB 3.85Å; L958-A962 HydrophobicContact CD1-CB 4.48Å; L958-A962 WeakPolarHBondContact O-CB 3.29Å; L958-A962 PolarHBondContact O-N 3.12Å; T959-A962 PolarHBondContact O-N 3.29Å; A962-D964 PolarHBondContact O-N 2.9Å; A962-K965 WeakPolarHBondContact O-CA 3.45Å; A962-K965 WeakPolarHBondContact O-CB 3.24Å; A962-K965 PolarHBondContact O-N 3.03Å; A962-L966 PolarHBondContact O-N 3.44Å
963Y93.8Very high89Confident7 Ų745.9 Ų45.93%0.02723%0.232CC..Hα-helixtrans-65.7-39-178.7-169.6-146.9000112.1P562 D612 E613 L614 W870 T959 K961 K965 L966 I967P562-Y963 HydrophobicContact CB-CE2 4.36Å; P562-Y963 HydrophobicContact CG-CD2 3.9Å; P562-Y963 HydrophobicContact CG-CE2 3.9Å; P562-Y963 HydrophobicContact CG-CG 4.5Å; P562-Y963 VanDerWaalsContact O-CE2 3.27Å; P562-Y963 WeakPolarHBondContact O-CE2 3.48Å; D612-Y963 VanDerWaalsContact O-CE1 3.22Å; D612-Y963 WeakPolarHBondContact O-CE1 3.1Å; E613-Y963 PolarHBondContact OE1-OH 3.34Å; L614-Y963 HydrophobicContact CB-CE1 3.88Å; L614-Y963 HydrophobicContact CD1-CD1 3.55Å; L614-Y963 HydrophobicContact CD1-CE1 3.69Å; L614-Y963 HydrophobicContact CD1-CG 4.27Å; L614-Y963 HydrophobicContact CG-CD1 3.91Å; L614-Y963 HydrophobicContact CG-CE1 3.54Å; L614-Y963 PolarHBondContact N-OH 3.14Å; W870-Y963 HydrophobicContact CH2-CD2 4.5Å; T959-Y963 WeakPolarHBondContact O-CB 3.44Å; T959-Y963 PolarHBondContact O-N 2.81Å; K961-Y963 VanDerWaalsContact C-N 3.34Å; Y963-K965 PolarHBondContact O-N 3.48Å; Y963-K965 VanDerWaalsContact O-N 3.09Å; Y963-L966 HydrophobicContact CD2-CB 4.18Å; Y963-L966 HydrophobicContact CD2-CD1 4.11Å; Y963-L966 WeakPolarHBondContact O-CA 3.36Å; Y963-L966 WeakPolarHBondContact O-CB 3.46Å; Y963-L966 PolarHBondContact O-N 3.03Å; Y963-I967 HydrophobicContact CD2-CD1 4.35Å; Y963-I967 HydrophobicContact CD2-CG1 4.39Å; Y963-I967 HydrophobicContact CE2-CD1 3.78Å; Y963-I967 HydrophobicContact CE2-CG1 4.29Å; Y963-I967 WeakPolarHBondContact O-CG1 3.39Å; Y963-I967 PolarHBondContact O-N 3.09Å
964D90Very high88.9Confident81 Ų8143.7 Ų43.743%0.43322%0.222SC..Hα-helixtrans-53.9-32.3170.8-73.6-25.9000112.9L960 A962 K968L960-D964 PolarHBondContact O-N 3.13Å; A962-D964 PolarHBondContact O-N 2.9Å; D964-K968 WeakPolarHBondContact O-CB 2.84Å; D964-K968 WeakPolarHBondContact O-CD 3.45Å; D964-K968 VanDerWaalsContact O-CG 3.24Å; D964-K968 WeakPolarHBondContact O-CG 3.37Å; D964-K968 PolarHBondContact O-N 3.02Å; D964-K968 VanDerWaalsContact O-N 3.15Å
965K91.2Very high88.6Confident56 Ų5645.8 Ų45.824%0.24323%0.233CC..Hα-helixtrans-75-34.3175.8-65.5178.3177.3-76.70112.2L871 L944 A962 Y963 K969L871-K965 HydrophobicContact CD1-CD 4.35Å; L871-K965 HydrophobicContact CD2-CB 3.75Å; L871-K965 HydrophobicContact CD2-CD 4.07Å; L944-K965 HydrophobicContact CD2-CD 4.43Å; A962-K965 WeakPolarHBondContact O-CA 3.45Å; A962-K965 WeakPolarHBondContact O-CB 3.24Å; A962-K965 PolarHBondContact O-N 3.03Å; Y963-K965 PolarHBondContact O-N 3.48Å; Y963-K965 VanDerWaalsContact O-N 3.09Å; K965-K969 VanDerWaalsContact O-CG 3.3Å; K965-K969 WeakPolarHBondContact O-CG 3.39Å; K965-K969 PolarHBondContact O-N 2.63Å
966L87.4Confident88.4Confident0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-64.7-47.4172.8-69179.7000110.8S561 T563 W870 A962 Y963 K968 K969 G970 L971S561-L966 WeakPolarHBondContact OG-CD1 3.23Å; T563-L966 HydrophobicContact CG2-CD1 4.15Å; T563-L966 HydrophobicContact CG2-CD2 4.28Å; W870-L966 HydrophobicContact CE3-CD1 3.89Å; W870-L966 HydrophobicContact CE3-CG 4.24Å; W870-L966 HydrophobicContact CH2-CD1 3.39Å; W870-L966 HydrophobicContact CH2-CG 4.14Å; W870-L966 HydrophobicContact CZ2-CD1 4.15Å; W870-L966 HydrophobicContact CZ3-CD1 3.23Å; W870-L966 HydrophobicContact CZ3-CD2 4.37Å; W870-L966 HydrophobicContact CZ3-CG 3.56Å; A962-L966 PolarHBondContact O-N 3.44Å; Y963-L966 HydrophobicContact CD2-CB 4.18Å; Y963-L966 HydrophobicContact CD2-CD1 4.11Å; Y963-L966 WeakPolarHBondContact O-CA 3.36Å; Y963-L966 WeakPolarHBondContact O-CB 3.46Å; Y963-L966 PolarHBondContact O-N 3.03Å; L966-K968 VanDerWaalsContact C-N 3.31Å; L966-K968 PolarHBondContact O-N 2.84Å; L966-K969 CarbonylContact O-C 3.6Å; L966-K969 WeakPolarHBondContact O-CA 3.48Å; L966-K969 WeakPolarHBondContact O-CB 3.43Å; L966-K969 PolarHBondContact O-N 2.63Å; L966-G970 PolarHBondContact O-N 2.75Å; L966-L971 HydrophobicContact CB-CB 4.41Å; L966-L971 HydrophobicContact CD2-CB 4.24Å; L966-L971 HydrophobicContact CD2-CD1 4.05Å; L966-L971 PolarHBondContact O-N 3.38Å; L966-L971 VanDerWaalsContact O-N 3.11Å
967I85.7Confident88.1Confident48 Ų4847.3 Ų47.325%0.24624%0.241CC..Hα-helixtrans-58-44.1177.5-59.3-53000111.4L614 H615 Y963 K969 G970L614-I967 HydrophobicContact CB-CD1 3.69Å; L614-I967 HydrophobicContact CB-CG1 3.77Å; L614-I967 HydrophobicContact CD1-CD1 4.38Å; L614-I967 HydrophobicContact CD1-CG1 3.62Å; L614-I967 HydrophobicContact CG-CG1 4.33Å; H615-I967 WeakPolarHBondContact CE1-CD1 3.29Å; H615-I967 WeakPolarHBondContact NE2-CD1 3.36Å; Y963-I967 HydrophobicContact CD2-CD1 4.35Å; Y963-I967 HydrophobicContact CD2-CG1 4.39Å; Y963-I967 HydrophobicContact CE2-CD1 3.78Å; Y963-I967 HydrophobicContact CE2-CG1 4.29Å; Y963-I967 WeakPolarHBondContact O-CG1 3.39Å; Y963-I967 PolarHBondContact O-N 3.09Å; I967-K969 PolarHBondContact O-N 2.82Å; I967-G970 PolarHBondContact O-N 3.19Å
968K81.8Confident87.5Confident167 Ų16750.1 Ų50.173%0.72626%0.256SS*.Hα-helixtrans-63.3-22.1176.3-75.9170.4-174.91700113.8D964 L966D964-K968 WeakPolarHBondContact O-CB 2.84Å; D964-K968 WeakPolarHBondContact O-CD 3.45Å; D964-K968 VanDerWaalsContact O-CG 3.24Å; D964-K968 WeakPolarHBondContact O-CG 3.37Å; D964-K968 PolarHBondContact O-N 3.02Å; D964-K968 VanDerWaalsContact O-N 3.15Å; L966-K968 VanDerWaalsContact C-N 3.31Å; L966-K968 PolarHBondContact O-N 2.84Å
969K80.5Confident86.9Confident78 Ų7853.9 Ų53.934%0.33928%0.275SS..THydrogen-bonded Turntrans-89.6-2.9174.9-69.1175-176.6-172.80112.9E940 K965 L966 I967 L971E940-K969 VanDerWaalsContact CD-NZ 3.28Å; E940-K969 IonicContact OE1-NZ 2.97Å; E940-K969 PolarHBondContact OE1-NZ 2.72Å; E940-K969 WeakPolarHBondContact OE2-CE 3.43Å; E940-K969 IonicContact OE2-NZ 2.71Å; E940-K969 PolarHBondContact OE2-NZ 2.64Å; K965-K969 VanDerWaalsContact O-CG 3.3Å; K965-K969 WeakPolarHBondContact O-CG 3.39Å; K965-K969 PolarHBondContact O-N 2.63Å; L966-K969 CarbonylContact O-C 3.6Å; L966-K969 WeakPolarHBondContact O-CA 3.48Å; L966-K969 WeakPolarHBondContact O-CB 3.43Å; L966-K969 PolarHBondContact O-N 2.63Å; I967-K969 PolarHBondContact O-N 2.82Å; K969-L971 HydrophobicContact CB-CB 4.47Å; K969-L971 HydrophobicContact CB-CD1 3.96Å; K969-L971 HydrophobicContact CB-CG 3.93Å; K969-L971 HydrophobicContact CD-CD1 4.17Å; K969-L971 PolarHBondContact O-N 3.05Å
970G71.9Confident86.3Confident44 Ų4457.6 Ų57.645%0.45429%0.293SS..THydrogen-bonded Turntrans67.424.7-173.300000113.2L966 I967L966-G970 PolarHBondContact O-N 2.75Å; I967-G970 PolarHBondContact O-N 3.19Å
971L71.8Confident85.5Confident72 Ų7256.5 Ų56.538%0.37729%0.286SS..  trans-96.80-179-69.4176.8000111.7T563 W564 H615 L966 K969T563-L971 WeakPolarHBondContact CA-OXT 3.29Å; T563-L971 WeakPolarHBondContact CB-OXT 3.39Å; T563-L971 HydrophobicContact CG2-CB 3.89Å; W564-L971 PolarHBondContact N-OXT 3.44Å; H615-L971 PolarHBondContact NE2-O 3.28Å; L966-L971 HydrophobicContact CB-CB 4.41Å; L966-L971 HydrophobicContact CD2-CB 4.24Å; L966-L971 HydrophobicContact CD2-CD1 4.05Å; L966-L971 PolarHBondContact O-N 3.38Å; L966-L971 VanDerWaalsContact O-N 3.11Å; K969-L971 HydrophobicContact CB-CB 4.47Å; K969-L971 HydrophobicContact CB-CD1 3.96Å; K969-L971 HydrophobicContact CB-CG 3.93Å; K969-L971 HydrophobicContact CD-CD1 4.17Å; K969-L971 PolarHBondContact O-N 3.05Å

Retrieved 971 of 971 residues in 1836.1 ms (Link to these results)

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