A0A087XVL0_POEFO Loading...

Histone deacetylase 11

Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes.

AlphaFold DB , UniProt , Accession A0A087XVL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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
1M37.6Very low38.9Very low244 Ų244152.1 Ų152.1100%1.20282%0.82SS**  093.10-73.4172.4170.500106.9
2S32.1Very low40.9Very low114 Ų114153.1 Ų153.180%0.79782%0.822SS**  trans-85.5115.8178.6164.90000107.1K4S2-K4 PolarHBondContact O-N 2.62Å
3V34.6Very low43.9Very low131 Ų131148.1 Ų148.179%0.79479%0.788SS**  trans-67.1109.6170178.30000106E5V3-E5 PolarHBondContact O-N 3.09Å
4K33.3Very low47.2Very low174 Ų174141.1 Ų141.176%0.75775%0.749SS**  trans-72.1113.6163.1-82.2-178.8172.3-177.70106.4S2 D6S2-K4 PolarHBondContact O-N 2.62Å; K4-D6 PolarHBondContact O-N 3.44Å; K4-D6 VanDerWaalsContact O-N 3.15Å
5E37.2Very low49.9Very low182 Ų182144.4 Ų144.485%0.8576%0.758SS**  trans-64.4104156.8-75.8175.6150.500106.7V3 N7V3-E5 PolarHBondContact O-N 3.09Å; E5-N7 PolarHBondContact O-N 3.12Å
6D37.6Very low52.6Low143 Ų143137.3 Ų137.377%0.76572%0.723SS**  trans-69.7102168.4-76.3-28000107.3K4 E8K4-D6 PolarHBondContact O-N 3.44Å; K4-D6 VanDerWaalsContact O-N 3.15Å; D6-E8 VanDerWaalsContact C-N 3.32Å; D6-E8 PolarHBondContact O-N 2.94Å
7N38Very low55Low158 Ų158137.1 Ų137.185%0.84572%0.722SS**  trans-62.991.2173.6-1576.6000107.7E5 G9E5-N7 PolarHBondContact O-N 3.12Å; N7-G9 PolarHBondContact O-N 3.45Å
8E41.7Very low57.2Low180 Ų180129.7 Ų129.784%0.84168%0.683SS**  trans-54107.6168.4-79.3-171.9159.900107.7D6 K10D6-E8 VanDerWaalsContact C-N 3.32Å; D6-E8 PolarHBondContact O-N 2.94Å; E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 3.3Å
9G40.4Very low59.1Low75 Ų75125.2 Ų125.277%0.77366%0.656SS**  trans-61.492.7179.200000109.9N7 S11N7-G9 PolarHBondContact O-N 3.45Å; G9-S11 PolarHBondContact O-N 2.82Å
10K43.7Very low60.5Low191 Ų191119.4 Ų119.483%0.8363%0.628SS**  trans-53.4108.2159-84.7-179.7175.7175.70106.1E8 I12E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 3.3Å; K10-I12 VanDerWaalsContact C-N 3.31Å; K10-I12 WeakPolarHBondContact O-CG1 3.45Å; K10-I12 PolarHBondContact O-N 3.01Å
11S51.5Low61.9Low81 Ų81119.4 Ų119.457%0.56664%0.638SS**  trans-52.3102.4164172.50000106.8G9 F13G9-S11 PolarHBondContact O-N 2.82Å; S11-F13 PolarHBondContact O-N 3.22Å; S11-F13 WeakPolarHBondContact OG-CE1 3.3Å
12I62.8Low64.7Low164 Ų164109.4 Ų109.484%0.84159%0.589SS**  trans-76.186.8177.2-54.8179.8000105.3K10K10-I12 VanDerWaalsContact C-N 3.31Å; K10-I12 WeakPolarHBondContact O-CG1 3.45Å; K10-I12 PolarHBondContact O-N 3.01Å
13F80.9Confident67.6Low88 Ų88107.1 Ų107.139%0.38657%0.572SS.*PPolyproline II helixtrans-55.2144.3169-59.9-68000108.9S11 E178S11-F13 PolarHBondContact O-N 3.22Å; S11-F13 WeakPolarHBondContact OG-CE1 3.3Å; F13-E178 HydrophobicContact CD1-CB 4.08Å; F13-E178 HydrophobicContact CD1-CG 4.28Å; F13-E178 HydrophobicContact CE1-CB 3.67Å; F13-E178 HydrophobicContact CE1-CG 3.64Å; F13-E178 WeakPolarHBondContact CE2-O 3.18Å; F13-E178 HydrophobicContact CZ-CB 3.97Å; F13-E178 HydrophobicContact CZ-CG 4.22Å
14H89.3Confident70.3Confident51 Ų51107 Ų10724%0.23657%0.574CS.*PPolyproline II helixtrans-63.4145.4177.180.9-72.9000109.9T16 D81 V84 F175 R179H14-T16 PolarHBondContact O-N 3.25Å; H14-D81 IonicContact CD2-OD1 3.68Å; H14-D81 IonicContact CE1-OD1 2.73Å; H14-D81 WeakPolarHBondContact NE2-CA 3.05Å; H14-D81 PolarHBondContact NE2-N 3.4Å; H14-D81 IonicContact NE2-OD1 2.7Å; H14-D81 PolarHBondContact NE2-OD1 3.29Å; H14-V84 VanDerWaalsContact CE1-CG2 3.43Å; H14-V84 WeakPolarHBondContact CE1-CG2 3.43Å; H14-F175 AromaticContact CE1-CZ 3.85Å; H14-R179 PolarHBondContact CE1-NH2 3.34Å; H14-R179 PolarHBondContact ND1-NH2 3.13Å
15Q88.4Confident73.1Confident190 Ų190104 Ų10489%0.88857%0.57SS**PPolyproline II helixtrans-69.3130174.4-69.6-176.9-9.700109.4
16T92.8Very high75.8Confident31 Ų3196 Ų9619%0.1953%0.534CS..  trans-120.2141.9178.5-1770000110.4H14 L18 D81 F175H14-T16 PolarHBondContact O-N 3.25Å; T16-L18 WeakPolarHBondContact OG1-CB 3.4Å; T16-L18 PolarHBondContact OG1-N 3.11Å; T16-D81 WeakPolarHBondContact CB-OD1 3.23Å; T16-D81 PolarHBondContact OG1-OD1 3.2Å; T16-F175 HydrophobicContact CG2-CE1 4.01Å
17N93.3Very high78.6Confident133 Ų13390.5 Ų90.571%0.71150%0.504SS*.SBendtrans-95.92.3172.9-69-43.6000112.4R75N17-R75 VanDerWaalsContact O-CD 3.24Å; N17-R75 WeakPolarHBondContact O-CD 3.31Å; N17-R75 PolarHBondContact O-NH1 3.45Å
18L95.3Very high81.5Confident4 Ų483.2 Ų83.22%0.02147%0.466CS..SBendtrans-70.5-33.5-178.8-66178.7000112.4T16 G20 R75 A77 D81 I133 M134 F175T16-L18 WeakPolarHBondContact OG1-CB 3.4Å; T16-L18 PolarHBondContact OG1-N 3.11Å; L18-G20 VanDerWaalsContact C-N 3.27Å; L18-G20 PolarHBondContact O-N 2.82Å; L18-G20 VanDerWaalsContact O-N 3.1Å; L18-R75 HydrophobicContact CD2-CB 3.89Å; L18-A77 HydrophobicContact CD1-CB 4.2Å; L18-D81 HydrophobicContact CD1-CB 3.97Å; L18-D81 WeakPolarHBondContact CD1-OD2 3.32Å; L18-D81 WeakPolarHBondContact CG-OD2 3.36Å; L18-I133 HydrophobicContact CB-CG2 4.27Å; L18-I133 HydrophobicContact CD1-CB 4.24Å; L18-I133 HydrophobicContact CD1-CD1 3.55Å; L18-I133 HydrophobicContact CD1-CG2 4.01Å; L18-M134 WeakPolarHBondContact O-CE 3.36Å; L18-F175 HydrophobicContact CD1-CE1 4.3Å; L18-F175 HydrophobicContact CD1-CZ 4.4Å
19Y92.4Very high84.2Confident44 Ų4474.7 Ų74.717%0.17343%0.426CS..SBendtrans-87.355.4178.8-72.5-7.3000113I133 K137 R179 V180Y19-I133 HydrophobicContact CD1-CG2 4.2Å; Y19-I133 HydrophobicContact CE1-CG2 3.49Å; Y19-I133 VanDerWaalsContact CE1-CG2 3.49Å; Y19-I133 WeakPolarHBondContact CE1-O 3.48Å; Y19-K137 HydrophobicContact CD1-CB 4.02Å; Y19-K137 HydrophobicContact CD1-CD 3.47Å; Y19-K137 VanDerWaalsContact CD1-CD 3.47Å; Y19-K137 HydrophobicContact CD1-CG 4.41Å; Y19-K137 HydrophobicContact CD2-CD 3.67Å; Y19-K137 HydrophobicContact CE1-CB 3.59Å; Y19-K137 HydrophobicContact CE1-CD 3.85Å; Y19-K137 HydrophobicContact CE1-CG 4.36Å; Y19-K137 HydrophobicContact CE2-CD 4.04Å; Y19-K137 HydrophobicContact CG-CD 3.36Å; Y19-R179 HydrophobicContact CD2-CB 4.47Å; Y19-R179 HydrophobicContact CE2-CB 3.89Å; Y19-V180 HydrophobicContact CE2-CG2 4.21Å
20G88.1Confident86.9Confident9 Ų971.1 Ų71.19%0.09339%0.389CS..  trans-60.5152.8170.100000113.1L18 M134L18-G20 VanDerWaalsContact C-N 3.27Å; L18-G20 PolarHBondContact O-N 2.82Å; L18-G20 VanDerWaalsContact O-N 3.1Å; G20-M134 WeakPolarHBondContact O-CE 3.45Å
21S90Very high89.5Confident120 Ų12063.4 Ų63.484%0.83936%0.355SS*.  trans-70.3127.7168.8-176.60000109.7
22I95.4Very high91.6Very high34 Ų3461.1 Ų61.117%0.17434%0.335CS..  trans-113.4128.2-179.3-59.8-52.9000109C26 V72 M134 L138 R142I22-C26 HydrophobicContact CG2-CB 3.92Å; I22-V72 HydrophobicContact CD1-CG1 3.73Å; I22-V72 HydrophobicContact CG1-CG1 4.04Å; I22-V72 HydrophobicContact CG2-CG1 4.46Å; I22-V72 HydrophobicContact CG2-CG2 3.5Å; I22-M134 HydrophobicContact CD1-CE 4Å; I22-M134 HydrophobicContact CG1-CE 3.93Å; I22-M134 HydrophobicContact CG1-SD 4.13Å; I22-L138 HydrophobicContact CB-CD2 4.15Å; I22-L138 HydrophobicContact CG1-CD2 4.18Å; I22-L138 HydrophobicContact CG2-CD2 4.38Å; I22-R142 PolarHBondContact O-NH2 2.6Å
23P93.8Very high93Very high66 Ų6657 Ų5743%0.42932%0.32SS..  trans-53.7144.1177.1-26.634.5000112.8T25 C26 R142P23-T25 PolarHBondContact O-N 3.44Å; P23-C26 PolarHBondContact O-N 2.81Å; P23-R142 PolarHBondContact O-NH2 3.23Å
24P90.8Very high93.3Very high130 Ų13056 Ų5684%0.84432%0.318SS*.THydrogen-bonded Turntrans-61.7-21.9174.8-24.234.4000113.9C26P24-C26 VanDerWaalsContact C-N 3.33Å
25T91.4Very high93.4Very high111 Ų11153.7 Ų53.768%0.68131%0.307SS*.THydrogen-bonded Turntrans-72.4-24178.150.40000113.3P23P23-T25 PolarHBondContact O-N 3.44Å
26C95.4Very high93.1Very high14 Ų1446.4 Ų46.410%0.09527%0.274CS..SBendtrans-76.2135.6177.1-540000109.6I22 P23 P24 N70 V72 R142I22-C26 HydrophobicContact CG2-CB 3.92Å; P23-C26 PolarHBondContact O-N 2.81Å; P24-C26 VanDerWaalsContact C-N 3.33Å; C26-N70 CarbonylContact C-O 3.5Å; C26-N70 VanDerWaalsContact CA-O 3.27Å; C26-N70 WeakPolarHBondContact CA-O 3.2Å; C26-V72 HydrophobicContact CB-CG2 4.03Å; C26-R142 PolarHBondContact O-NH1 2.83Å
27L96.4Very high92.4Very high26 Ų2646 Ų4614%0.13627%0.271CS..  trans-70.9146.1168-67.5171.4000109.2I29 F65 I66 N70 V72 W144L27-I29 HydrophobicContact CB-CD1 4.39Å; L27-I29 HydrophobicContact CB-CG1 4.42Å; L27-I29 PolarHBondContact O-N 3.21Å; L27-F65 HydrophobicContact CD1-CD2 4.21Å; L27-F65 HydrophobicContact CD1-CE2 3.79Å; L27-F65 HydrophobicContact CD1-CZ 4.07Å; L27-I66 HydrophobicContact CD1-CG2 4.12Å; L27-N70 PolarHBondContact N-O 2.93Å; L27-V72 WeakPolarHBondContact O-CG2 3.37Å; L27-W144 HydrophobicContact CD2-CZ2 4.44Å
28P97.3Very high90.9Very high6 Ų643 Ų434%0.03926%0.257CS..SBendtrans-74.548.8178.433.6-36.6000112.5L138 R142 W144 A145 I146P28-L138 HydrophobicContact CB-CB 4Å; P28-L138 HydrophobicContact CB-CD1 4.38Å; P28-R142 HydrophobicContact CG-CB 4.49Å; P28-W144 VanDerWaalsContact CB-O 3.26Å; P28-W144 WeakPolarHBondContact CB-O 3.37Å; P28-W144 HydrophobicContact CG-CD2 3.69Å; P28-W144 HydrophobicContact CG-CE3 3.84Å; P28-W144 HydrophobicContact CG-CG 4.4Å; P28-W144 HydrophobicContact CG-CH2 3.71Å; P28-W144 HydrophobicContact CG-CZ2 3.54Å; P28-W144 HydrophobicContact CG-CZ3 3.85Å; P28-W144 WeakPolarHBondContact CG-O 3.35Å; P28-A145 HydrophobicContact CB-CB 3.9Å; P28-A145 CarbonylContact O-C 3.59Å; P28-A145 WeakPolarHBondContact O-CA 3.21Å; P28-A145 WeakPolarHBondContact O-CB 3.46Å; P28-I146 PolarHBondContact O-N 3.03Å
29I98.1Very high89.1Confident0 Ų044.2 Ų44.20%026%0.263CS..EExtended strand (participates in β ladder)trans-106.2119.3171.6-62.5171.8000106L27 I57 F65 I66 I71 V72 W144 I146 V148L27-I29 HydrophobicContact CB-CD1 4.39Å; L27-I29 HydrophobicContact CB-CG1 4.42Å; L27-I29 PolarHBondContact O-N 3.21Å; I29-I57 HydrophobicContact CG2-CD1 4.47Å; I29-F65 HydrophobicContact CD1-CD1 4.19Å; I29-F65 HydrophobicContact CD1-CE1 3.52Å; I29-F65 HydrophobicContact CD1-CZ 4.11Å; I29-I66 HydrophobicContact CD1-CG2 3.73Å; I29-I71 HydrophobicContact CB-CG1 4.49Å; I29-I71 HydrophobicContact CG2-CD1 4.32Å; I29-I71 HydrophobicContact CG2-CG1 4.31Å; I29-I71 WeakPolarHBondContact O-CG1 3.49Å; I29-V72 PolarHBondContact O-N 3.36Å; I29-W144 HydrophobicContact CD1-CH2 4.28Å; I29-W144 HydrophobicContact CG1-CH2 4Å; I29-W144 HydrophobicContact CG1-CZ3 3.92Å; I29-I146 CarbonylContact C-O 3.47Å; I29-I146 WeakPolarHBondContact CA-O 3.33Å; I29-V148 HydrophobicContact CG2-CG1 3.88Å
30V98.3Very high87.3Confident0 Ų050.9 Ų50.90%030%0.298CS..EExtended strand (participates in β ladder)trans-108.5129.2-171.9-174.50000110V72 A74 M134 A135 L138 I146 N147 V148V30-V72 WeakPolarHBondContact CA-O 3.23Å; V30-V72 HydrophobicContact CG2-CB 4.05Å; V30-V72 HydrophobicContact CG2-CG1 4.14Å; V30-A74 HydrophobicContact CG1-CB 3.75Å; V30-M134 HydrophobicContact CG2-CG 4.39Å; V30-A135 HydrophobicContact CB-CB 4.36Å; V30-A135 HydrophobicContact CG2-CB 3.78Å; V30-L138 HydrophobicContact CG2-CD1 3.85Å; V30-I146 PolarHBondContact N-O 3.26Å; V30-N147 HydrophobicContact CB-CB 4.48Å; V30-N147 PolarHBondContact O-OD1 3.3Å; V30-V148 PolarHBondContact O-N 3.02Å; V30-V148 VanDerWaalsContact O-N 3.11Å
31Y97.6Very high85.6Confident29 Ų2951.8 Ų51.811%0.11431%0.307CS..EExtended strand (participates in β ladder)trans-157158.8179.9173.7-110.6000111P33 Y35 N36 W53 G54 I57 I71 V72 E73 A74 V148Y31-P33 HydrophobicContact CE1-CG 4.37Å; Y31-Y35 AromaticContact CD2-CD2 3.63Å; Y31-Y35 HydrophobicContact CD2-CD2 3.63Å; Y31-Y35 HydrophobicContact CD2-CE2 4.14Å; Y31-Y35 HydrophobicContact CD2-CG 4.07Å; Y31-Y35 HydrophobicContact CE2-CD2 4.09Å; Y31-Y35 HydrophobicContact CE2-CG 4.2Å; Y31-N36 PolarHBondContact OH-ND2 3.1Å; Y31-N36 VanDerWaalsContact OH-ND2 3.13Å; Y31-W53 HydrophobicContact CD2-CB 4.4Å; Y31-W53 HydrophobicContact CE2-CB 3.93Å; Y31-G54 VanDerWaalsContact OH-CA 3.29Å; Y31-G54 WeakPolarHBondContact OH-CA 3.38Å; Y31-I57 HydrophobicContact CD1-CB 4.47Å; Y31-I57 HydrophobicContact CD1-CD1 4.37Å; Y31-I57 HydrophobicContact CD1-CG1 3.71Å; Y31-I57 HydrophobicContact CD1-CG2 4.31Å; Y31-I57 HydrophobicContact CD2-CD1 4.45Å; Y31-I57 HydrophobicContact CD2-CG1 3.75Å; Y31-I57 HydrophobicContact CE1-CB 4.4Å; Y31-I57 HydrophobicContact CE1-CG1 3.99Å; Y31-I57 HydrophobicContact CE1-CG2 4.3Å; Y31-I57 HydrophobicContact CE2-CG1 4.02Å; Y31-I57 HydrophobicContact CG-CD1 4.01Å; Y31-I57 HydrophobicContact CG-CG1 3.57Å; Y31-I71 HydrophobicContact CD1-CD1 4.25Å; Y31-I71 HydrophobicContact CG-CD1 4.32Å; Y31-V72 PolarHBondContact N-O 3.08Å; Y31-E73 CarbonylContact O-C 3.44Å; Y31-E73 VanDerWaalsContact O-CA 3.3Å; Y31-E73 WeakPolarHBondContact O-CA 3.47Å; Y31-A74 PolarHBondContact O-N 3.39Å; Y31-V148 HydrophobicContact CD2-CG2 3.41Å; Y31-V148 VanDerWaalsContact CD2-CG2 3.41Å; Y31-V148 HydrophobicContact CE2-CG2 4.37Å; Y31-V148 HydrophobicContact CG-CG2 3.98Å
32H95.8Very high84Confident33 Ų3349.7 Ų49.715%0.15329%0.286CS..  trans-141.5142.6164-175.2-78.6000109.3D34 Y35 E73 A74 T127H32-D34 IonicContact CE1-OD1 2.74Å; H32-D34 IonicContact CE1-OD2 3.84Å; H32-D34 PolarHBondContact CE1-OD2 3.15Å; H32-D34 VanDerWaalsContact CE1-OD2 3.31Å; H32-D34 VanDerWaalsContact ND1-CB 3.26Å; H32-D34 WeakPolarHBondContact ND1-CB 3.28Å; H32-D34 PolarHBondContact ND1-N 3.2Å; H32-D34 IonicContact ND1-OD2 3.72Å; H32-D34 PolarHBondContact O-N 2.88Å; H32-D34 VanDerWaalsContact O-N 3.12Å; H32-Y35 HydrophobicContact CB-CD1 3.76Å; H32-Y35 HydrophobicContact CB-CE1 3.76Å; H32-Y35 WeakPolarHBondContact O-CB 3.27Å; H32-Y35 WeakPolarHBondContact O-CD1 3.49Å; H32-Y35 VanDerWaalsContact O-CG 3.3Å; H32-Y35 PolarHBondContact O-N 3.14Å; H32-E73 IonicContact CD2-OE1 3.31Å; H32-E73 PolarHBondContact CD2-OE1 3.31Å; H32-E73 VanDerWaalsContact CD2-OE1 3.28Å; H32-E73 IonicContact NE2-OE1 2.69Å; H32-E73 PolarHBondContact NE2-OE1 3.49Å; H32-A74 HydrophobicContact CB-CB 3.99Å; H32-A74 PolarHBondContact CD2-O 2.64Å; H32-A74 VanDerWaalsContact CD2-O 3.28Å; H32-T127 HydrophobicContact CB-CG2 3.77Å
33P91.8Very high82.4Confident79 Ų7950.2 Ų50.251%0.51329%0.288SS..G310 helixtrans-51.8-35.5178.8-29.536.8000114.7Y31 Y35 N36Y31-P33 HydrophobicContact CE1-CG 4.37Å; P33-Y35 PolarHBondContact O-N 3.32Å; P33-N36 PolarHBondContact O-ND2 2.96Å
34D88.8Confident80.7Confident67 Ų6755.5 Ų55.536%0.35830%0.304SS..G310 helixtrans-69.9-2.9176.7-64.7-6000114.6H32 N36 P124H32-D34 IonicContact CE1-OD1 2.74Å; H32-D34 IonicContact CE1-OD2 3.84Å; H32-D34 PolarHBondContact CE1-OD2 3.15Å; H32-D34 VanDerWaalsContact CE1-OD2 3.31Å; H32-D34 VanDerWaalsContact ND1-CB 3.26Å; H32-D34 WeakPolarHBondContact ND1-CB 3.28Å; H32-D34 PolarHBondContact ND1-N 3.2Å; H32-D34 IonicContact ND1-OD2 3.72Å; H32-D34 PolarHBondContact O-N 2.88Å; H32-D34 VanDerWaalsContact O-N 3.12Å; D34-N36 PolarHBondContact O-N 2.95Å; D34-P124 WeakPolarHBondContact O-CB 3.38Å; D34-P124 VanDerWaalsContact O-CG 3.29Å; D34-P124 WeakPolarHBondContact O-CG 3.36Å
35Y89.7Confident79.1Confident1 Ų156.2 Ų56.20%0.00430%0.3CS..G310 helixtrans-57.7-30.5172.6-85.322.2000112.2Y31 H32 P33 I37 W53 A74 T127 Q128 G131 N147 V148Y31-Y35 AromaticContact CD2-CD2 3.63Å; Y31-Y35 HydrophobicContact CD2-CD2 3.63Å; Y31-Y35 HydrophobicContact CD2-CE2 4.14Å; Y31-Y35 HydrophobicContact CD2-CG 4.07Å; Y31-Y35 HydrophobicContact CE2-CD2 4.09Å; Y31-Y35 HydrophobicContact CE2-CG 4.2Å; H32-Y35 HydrophobicContact CB-CD1 3.76Å; H32-Y35 HydrophobicContact CB-CE1 3.76Å; H32-Y35 WeakPolarHBondContact O-CB 3.27Å; H32-Y35 WeakPolarHBondContact O-CD1 3.49Å; H32-Y35 VanDerWaalsContact O-CG 3.3Å; H32-Y35 PolarHBondContact O-N 3.14Å; P33-Y35 PolarHBondContact O-N 3.32Å; Y35-I37 PolarHBondContact O-N 2.96Å; Y35-W53 HydrophobicContact CD2-CB 4.29Å; Y35-W53 HydrophobicContact CD2-CG 4.39Å; Y35-A74 HydrophobicContact CE1-CB 3.68Å; Y35-A74 WeakPolarHBondContact OH-CB 3.4Å; Y35-T127 HydrophobicContact CD1-CG2 4.19Å; Y35-T127 HydrophobicContact CE1-CG2 3.87Å; Y35-Q128 HydrophobicContact CD1-CG 3.62Å; Y35-Q128 HydrophobicContact CD2-CG 3.65Å; Y35-Q128 HydrophobicContact CE1-CB 4.34Å; Y35-Q128 HydrophobicContact CE1-CG 3.74Å; Y35-Q128 HydrophobicContact CE2-CG 3.79Å; Y35-Q128 HydrophobicContact CG-CG 3.57Å; Y35-Q128 PolarHBondContact O-NE2 3.17Å; Y35-G131 WeakPolarHBondContact OH-CA 3.07Å; Y35-N147 VanDerWaalsContact CE2-OD1 3.29Å; Y35-N147 WeakPolarHBondContact CE2-OD1 3.14Å; Y35-N147 PolarHBondContact OH-OD1 2.83Å; Y35-V148 HydrophobicContact CD2-CG2 4.31Å; Y35-V148 HydrophobicContact CE2-CG2 4.24Å
36N84Confident77.8Confident37 Ų3752.5 Ų52.520%0.19828%0.275CS..SBendtrans-77.5121.2-176.6-54.7-60000110.8Y31 P33 D34 T38 S50 G51 G54Y31-N36 PolarHBondContact OH-ND2 3.1Å; Y31-N36 VanDerWaalsContact OH-ND2 3.13Å; P33-N36 PolarHBondContact O-ND2 2.96Å; D34-N36 PolarHBondContact O-N 2.95Å; N36-T38 PolarHBondContact O-N 3.33Å; N36-S50 CarbonylContact C-O 3.55Å; N36-S50 WeakPolarHBondContact CA-O 3.38Å; N36-S50 WeakPolarHBondContact CB-O 3.46Å; N36-G51 WeakPolarHBondContact OD1-CA 3.34Å; N36-G54 PolarHBondContact OD1-N 3.24Å
37I76.4Confident76Confident24 Ų2454.5 Ų54.512%0.12329%0.288CS..  trans-86.999.9177.6-64.2167.1000108.2Y35 S50 R120 V121 P124 L125Y35-I37 PolarHBondContact O-N 2.96Å; I37-S50 PolarHBondContact N-O 3.15Å; I37-S50 VanDerWaalsContact N-O 3.11Å; I37-S50 WeakPolarHBondContact O-CB 3.28Å; I37-S50 PolarHBondContact O-OG 2.99Å; I37-R120 WeakPolarHBondContact CG2-O 3.43Å; I37-V121 HydrophobicContact CG2-CG2 4.34Å; I37-P124 HydrophobicContact CD1-CB 4.32Å; I37-P124 HydrophobicContact CG1-CB 3.66Å; I37-P124 HydrophobicContact CG1-CG 4.05Å; I37-L125 HydrophobicContact CD1-CD2 4.02Å; I37-L125 HydrophobicContact CD1-CG 4.18Å
38T62.9Low74.3Confident68 Ų6855 Ų5542%0.41729%0.289SS..  trans-103.8130177.454.70000110.6N36N36-T38 PolarHBondContact O-N 3.33Å
39F55.9Low73.1Confident30 Ų3056.2 Ų56.213%0.13230%0.295CS..  trans-13265.5179.6-162.5-115.3000112.5G41 L42 E43 L112F39-G41 PolarHBondContact O-N 3.01Å; F39-L42 HydrophobicContact CD1-CB 3.66Å; F39-L42 HydrophobicContact CD1-CD1 3.41Å; F39-L42 VanDerWaalsContact CD1-CD1 3.41Å; F39-L42 HydrophobicContact CD1-CG 4.14Å; F39-L42 HydrophobicContact CE1-CB 4.38Å; F39-L42 HydrophobicContact CE1-CD1 3.22Å; F39-L42 HydrophobicContact CE1-CG 4.39Å; F39-L42 HydrophobicContact CZ-CD1 4.38Å; F39-L42 WeakPolarHBondContact O-CB 3.25Å; F39-L42 PolarHBondContact O-N 3.28Å; F39-E43 VanDerWaalsContact CA-OE2 3.31Å; F39-E43 WeakPolarHBondContact CA-OE2 3.5Å; F39-E43 PolarHBondContact N-OE2 3.41Å; F39-L112 HydrophobicContact CD1-CD1 4.17Å; F39-L112 HydrophobicContact CD2-CD1 4.18Å; F39-L112 HydrophobicContact CE1-CD1 3.44Å; F39-L112 VanDerWaalsContact CE1-CD1 3.44Å; F39-L112 HydrophobicContact CE1-CD2 3.78Å; F39-L112 HydrophobicContact CE1-CG 4.16Å; F39-L112 HydrophobicContact CE2-CD1 3.46Å; F39-L112 VanDerWaalsContact CE2-CD1 3.46Å; F39-L112 HydrophobicContact CE2-CD2 4.26Å; F39-L112 HydrophobicContact CE2-CG 4.46Å; F39-L112 HydrophobicContact CZ-CD1 3.12Å; F39-L112 HydrophobicContact CZ-CD2 3.3Å; F39-L112 HydrophobicContact CZ-CG 3.8Å
40M54.7Low71.9Confident185 Ų18556.7 Ų56.791%0.91130%0.298SS*.THydrogen-bonded Turntrans51.526.5172.9-60178127.200114.1
41G54.1Low71Confident28 Ų2857.6 Ų57.629%0.28931%0.308SS..THydrogen-bonded Turntrans96.8-13.3-178.400000115.2F39 E43 K44F39-G41 PolarHBondContact O-N 3.01Å; G41-E43 WeakPolarHBondContact CA-OE1 3.49Å; G41-E43 VanDerWaalsContact CA-OE2 3.31Å; G41-E43 WeakPolarHBondContact CA-OE2 3.38Å; G41-E43 PolarHBondContact N-OE1 3.16Å; G41-E43 PolarHBondContact N-OE2 2.87Å; G41-E43 PolarHBondContact O-N 2.82Å; G41-K44 WeakPolarHBondContact O-CB 3.09Å; G41-K44 WeakPolarHBondContact O-CG 3.35Å; G41-K44 PolarHBondContact O-N 3.16Å
42L55.1Low70.6Confident75 Ų7556.3 Ų56.339%0.39330%0.302SS..G310 helixtrans-71.1-20.1177.3-75.8161.4000112.4F39 K44 L45F39-L42 HydrophobicContact CD1-CB 3.66Å; F39-L42 HydrophobicContact CD1-CD1 3.41Å; F39-L42 VanDerWaalsContact CD1-CD1 3.41Å; F39-L42 HydrophobicContact CD1-CG 4.14Å; F39-L42 HydrophobicContact CE1-CB 4.38Å; F39-L42 HydrophobicContact CE1-CD1 3.22Å; F39-L42 HydrophobicContact CE1-CG 4.39Å; F39-L42 HydrophobicContact CZ-CD1 4.38Å; F39-L42 WeakPolarHBondContact O-CB 3.25Å; F39-L42 PolarHBondContact O-N 3.28Å; L42-K44 PolarHBondContact O-N 3.14Å; L42-K44 VanDerWaalsContact O-N 3.13Å; L42-L45 HydrophobicContact CD2-CD1 3.73Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 3.23Å
43E62Low70.4Confident45 Ų4554.9 Ų54.921%0.2130%0.296CS..G310 helixtrans-57.9-23.8170.369.4-77.8174.900112.8F39 G41 L45 H46 S50F39-E43 VanDerWaalsContact CA-OE2 3.31Å; F39-E43 WeakPolarHBondContact CA-OE2 3.5Å; F39-E43 PolarHBondContact N-OE2 3.41Å; G41-E43 WeakPolarHBondContact CA-OE1 3.49Å; G41-E43 VanDerWaalsContact CA-OE2 3.31Å; G41-E43 WeakPolarHBondContact CA-OE2 3.38Å; G41-E43 PolarHBondContact N-OE1 3.16Å; G41-E43 PolarHBondContact N-OE2 2.87Å; G41-E43 PolarHBondContact O-N 2.82Å; E43-L45 PolarHBondContact O-N 3.39Å; E43-H46 PolarHBondContact O-N 2.93Å; E43-S50 VanDerWaalsContact CB-OG 3.29Å; E43-S50 WeakPolarHBondContact CB-OG 3.32Å
44K58.7Low70.5Confident177 Ų17752 Ų5277%0.7728%0.281SS*.G310 helixtrans-73.9-13.1178-58.7179.1-177.6174.70113.8G41 L42G41-K44 WeakPolarHBondContact O-CB 3.09Å; G41-K44 WeakPolarHBondContact O-CG 3.35Å; G41-K44 PolarHBondContact O-N 3.16Å; L42-K44 PolarHBondContact O-N 3.14Å; L42-K44 VanDerWaalsContact O-N 3.13Å
45L57.2Low70.8Confident145 Ų14551.9 Ų51.976%0.75928%0.277SS*.G310 helixtrans-89.4-8.7176.9-63.6176.9000112.6L42 E43L42-L45 HydrophobicContact CD2-CD1 3.73Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 3.23Å; E43-L45 PolarHBondContact O-N 3.39Å
46H63.1Low71.1Confident33 Ų3351.8 Ų51.815%0.15328%0.277CS..SBendtrans-96.6142.7179.5-168.6-93.1000109.9E43 F48 T104 I106 F163E43-H46 PolarHBondContact O-N 2.93Å; H46-F48 WeakPolarHBondContact ND1-CB 3.44Å; H46-F48 PolarHBondContact ND1-N 3.32Å; H46-F48 PolarHBondContact O-N 3.27Å; H46-T104 PolarHBondContact NE2-O 2.94Å; H46-T104 VanDerWaalsContact NE2-O 3.15Å; H46-I106 WeakPolarHBondContact CD2-CG1 3.32Å; H46-F163 AromaticContact CE1-CD1 3.55Å; H46-F163 AromaticContact CE1-CE1 3.39Å; H46-F163 WeakPolarHBondContact CE1-CE1 3.44Å; H46-F163 AromaticContact NE2-CD1 3.68Å; H46-F163 AromaticContact NE2-CE1 3.35Å; H46-F163 VanDerWaalsContact NE2-CE1 3.35Å; H46-F163 WeakPolarHBondContact NE2-CE1 3.12Å
47P57.7Low71.8Confident57 Ų5750.3 Ų50.337%0.3727%0.268SS..SBendtrans-59-29.8178.221.7-33.4000112.6D49 Y315P47-D49 PolarHBondContact O-N 3.09Å; P47-Y315 WeakPolarHBondContact O-CB 3.41Å
48F60.3Low72.7Confident36 Ų3655.1 Ų55.116%0.15829%0.285CS..SBendtrans-76.7116.7176.7-170.5-103000113H46 S50 W53 Y315H46-F48 WeakPolarHBondContact ND1-CB 3.44Å; H46-F48 PolarHBondContact ND1-N 3.32Å; H46-F48 PolarHBondContact O-N 3.27Å; F48-S50 VanDerWaalsContact C-N 3.34Å; F48-S50 PolarHBondContact O-N 2.93Å; F48-W53 HydrophobicContact CE2-CZ2 4.43Å; F48-W53 AromaticContact CZ-CZ2 3.94Å; F48-W53 HydrophobicContact CZ-CZ2 3.94Å; F48-Y315 HydrophobicContact CB-CD1 4.08Å; F48-Y315 HydrophobicContact CB-CE1 4.28Å; F48-Y315 AromaticContact CD2-CD1 3.93Å; F48-Y315 HydrophobicContact CD2-CD1 3.93Å; F48-Y315 AromaticContact CD2-CE1 3.74Å; F48-Y315 HydrophobicContact CD2-CE1 3.74Å
49D72.6Confident74.4Confident32 Ų3253.6 Ų53.617%0.17127%0.273CS..  trans-69.189.6167.9-178.14.5000110P47 G51 K52 K55P47-D49 PolarHBondContact O-N 3.09Å; D49-G51 PolarHBondContact O-N 2.88Å; D49-G51 PolarHBondContact OD1-N 3.43Å; D49-K52 HydrophobicContact CB-CB 4.38Å; D49-K52 WeakPolarHBondContact O-CB 3.37Å; D49-K52 PolarHBondContact O-N 2.81Å; D49-K55 IonicContact OD1-NZ 2.58Å; D49-K55 PolarHBondContact OD1-NZ 2.8Å; D49-K55 IonicContact OD2-NZ 3.28Å; D49-K55 PolarHBondContact OD2-NZ 3.27Å
50S72.6Confident76.4Confident10 Ų1052.2 Ų52.27%0.0727%0.267CS..THydrogen-bonded Turntrans-66.3-3.9-179.263.30000114.9N36 I37 E43 F48N36-S50 CarbonylContact C-O 3.55Å; N36-S50 WeakPolarHBondContact CA-O 3.38Å; N36-S50 WeakPolarHBondContact CB-O 3.46Å; I37-S50 PolarHBondContact N-O 3.15Å; I37-S50 VanDerWaalsContact N-O 3.11Å; I37-S50 WeakPolarHBondContact O-CB 3.28Å; I37-S50 PolarHBondContact O-OG 2.99Å; E43-S50 VanDerWaalsContact CB-OG 3.29Å; E43-S50 WeakPolarHBondContact CB-OG 3.32Å; F48-S50 VanDerWaalsContact C-N 3.34Å; F48-S50 PolarHBondContact O-N 2.93Å
51G81.1Confident78.4Confident19 Ų1946.7 Ų46.720%0.19624%0.237CC..THydrogen-bonded Turntrans-103.57.4171.300000114N36 D49 W53 G54 K55N36-G51 WeakPolarHBondContact OD1-CA 3.34Å; D49-G51 PolarHBondContact O-N 2.88Å; D49-G51 PolarHBondContact OD1-N 3.43Å; G51-W53 VanDerWaalsContact C-N 3.28Å; G51-W53 PolarHBondContact O-N 2.79Å; G51-G54 PolarHBondContact O-N 2.85Å; G51-K55 WeakPolarHBondContact O-CG 3.29Å; G51-K55 PolarHBondContact O-N 2.93Å
52K88.8Confident80.5Confident1 Ų150.7 Ų50.70%0.00425%0.249CC..Hα-helixtrans-53.6-43.7-176.6177.8173.443.5162.10111.9D49 K55 V56 S312 G313 G314 T319 A320 I323D49-K52 HydrophobicContact CB-CB 4.38Å; D49-K52 WeakPolarHBondContact O-CB 3.37Å; D49-K52 PolarHBondContact O-N 2.81Å; K52-K55 WeakPolarHBondContact O-CB 3.09Å; K52-K55 PolarHBondContact O-N 3.13Å; K52-V56 WeakPolarHBondContact O-CG2 3.33Å; K52-V56 PolarHBondContact O-N 3.24Å; K52-S312 PolarHBondContact NZ-O 3.27Å; K52-G313 PolarHBondContact NZ-O 3.22Å; K52-G314 PolarHBondContact NZ-O 3.03Å; K52-G314 VanDerWaalsContact NZ-O 3.09Å; K52-T319 HydrophobicContact CD-CG2 3.49Å; K52-T319 VanDerWaalsContact CD-CG2 3.49Å; K52-T319 HydrophobicContact CG-CG2 4.45Å; K52-A320 HydrophobicContact CG-CB 4.13Å; K52-I323 HydrophobicContact CD-CD1 4.04Å; K52-I323 HydrophobicContact CG-CD1 4.46Å
53W91.9Very high82.4Confident3 Ų351.3 Ų51.31%0.01125%0.25CC..Hα-helixtrans-67.4-46.1-173.6-48.1143.6000113.1Y31 Y35 F48 G51 K55 V56 I57 V148 T311 S312 I323Y31-W53 HydrophobicContact CD2-CB 4.4Å; Y31-W53 HydrophobicContact CE2-CB 3.93Å; Y35-W53 HydrophobicContact CD2-CB 4.29Å; Y35-W53 HydrophobicContact CD2-CG 4.39Å; F48-W53 HydrophobicContact CE2-CZ2 4.43Å; F48-W53 AromaticContact CZ-CZ2 3.94Å; F48-W53 HydrophobicContact CZ-CZ2 3.94Å; G51-W53 VanDerWaalsContact C-N 3.28Å; G51-W53 PolarHBondContact O-N 2.79Å; W53-K55 VanDerWaalsContact C-N 3.25Å; W53-K55 PolarHBondContact O-N 3.31Å; W53-V56 PolarHBondContact O-N 3.18Å; W53-I57 WeakPolarHBondContact O-CG1 3.36Å; W53-I57 PolarHBondContact O-N 3.32Å; W53-I57 VanDerWaalsContact O-N 3.12Å; W53-V148 HydrophobicContact CB-CG2 4.4Å; W53-V148 VanDerWaalsContact CD2-O 3.31Å; W53-V148 WeakPolarHBondContact CZ3-O 3.32Å; W53-T311 WeakPolarHBondContact CH2-OG1 3.15Å; W53-T311 HydrophobicContact CZ3-CG2 4.48Å; W53-T311 WeakPolarHBondContact CZ3-OG1 3.31Å; W53-S312 WeakPolarHBondContact CH2-O 3.02Å; W53-I323 HydrophobicContact CZ3-CD1 3.98Å
54G93.4Very high84Confident19 Ų1957.1 Ų57.120%0.19628%0.277CS..Hα-helixtrans-61.5-34173.800000113Y31 N36 G51 R58Y31-G54 VanDerWaalsContact OH-CA 3.29Å; Y31-G54 WeakPolarHBondContact OH-CA 3.38Å; N36-G54 PolarHBondContact OD1-N 3.24Å; G51-G54 PolarHBondContact O-N 2.85Å; G54-R58 WeakPolarHBondContact O-CB 2.95Å; G54-R58 PolarHBondContact O-N 3.15Å
55K94.9Very high85.7Confident64 Ų6449.3 Ų49.328%0.27824%0.243SC..Hα-helixtrans-68.1-42.3175.8-66.5167.9-169.1166.20112D49 G51 K52 W53 R58 F59 A320D49-K55 IonicContact OD1-NZ 2.58Å; D49-K55 PolarHBondContact OD1-NZ 2.8Å; D49-K55 IonicContact OD2-NZ 3.28Å; D49-K55 PolarHBondContact OD2-NZ 3.27Å; G51-K55 WeakPolarHBondContact O-CG 3.29Å; G51-K55 PolarHBondContact O-N 2.93Å; K52-K55 WeakPolarHBondContact O-CB 3.09Å; K52-K55 PolarHBondContact O-N 3.13Å; W53-K55 VanDerWaalsContact C-N 3.25Å; W53-K55 PolarHBondContact O-N 3.31Å; K55-R58 PolarHBondContact O-N 3.26Å; K55-F59 HydrophobicContact CB-CE2 4.25Å; K55-F59 WeakPolarHBondContact O-CD2 3.39Å; K55-F59 WeakPolarHBondContact O-CG 3.42Å; K55-F59 PolarHBondContact O-N 3.2Å; K55-A320 HydrophobicContact CB-CB 3.61Å; K55-A320 HydrophobicContact CD-CB 4.29Å
56V96.8Very high87.5Confident0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-55.8-52.9174174.10000109.8K52 W53 R58 F59 L60 V148 A320 I323 A324 I327K52-V56 WeakPolarHBondContact O-CG2 3.33Å; K52-V56 PolarHBondContact O-N 3.24Å; W53-V56 PolarHBondContact O-N 3.18Å; V56-R58 VanDerWaalsContact C-N 3.3Å; V56-R58 PolarHBondContact O-N 2.84Å; V56-F59 PolarHBondContact O-N 2.83Å; V56-F59 VanDerWaalsContact O-N 3.15Å; V56-L60 HydrophobicContact CG1-CD1 4.12Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 WeakPolarHBondContact O-CG 3.23Å; V56-L60 PolarHBondContact O-N 2.92Å; V56-V148 HydrophobicContact CG1-CG1 4.43Å; V56-A320 HydrophobicContact CG2-CB 4.09Å; V56-A320 WeakPolarHBondContact CG2-O 3.28Å; V56-I323 HydrophobicContact CG1-CG2 3.85Å; V56-I323 HydrophobicContact CG2-CB 3.93Å; V56-I323 HydrophobicContact CG2-CD1 4.31Å; V56-I323 HydrophobicContact CG2-CG2 3.84Å; V56-A324 HydrophobicContact CG1-CB 4.48Å; V56-I327 HydrophobicContact CG1-CD1 4.32Å
57I97Very high89.1Confident5 Ų543.8 Ų43.83%0.02622%0.218CC..Hα-helixtrans-58.9-42.6179.7-65.6-55.9000111.7I29 Y31 W53 F59 L60 K61 I66 I71 V148I29-I57 HydrophobicContact CG2-CD1 4.47Å; Y31-I57 HydrophobicContact CD1-CB 4.47Å; Y31-I57 HydrophobicContact CD1-CD1 4.37Å; Y31-I57 HydrophobicContact CD1-CG1 3.71Å; Y31-I57 HydrophobicContact CD1-CG2 4.31Å; Y31-I57 HydrophobicContact CD2-CD1 4.45Å; Y31-I57 HydrophobicContact CD2-CG1 3.75Å; Y31-I57 HydrophobicContact CE1-CB 4.4Å; Y31-I57 HydrophobicContact CE1-CG1 3.99Å; Y31-I57 HydrophobicContact CE1-CG2 4.3Å; Y31-I57 HydrophobicContact CE2-CG1 4.02Å; Y31-I57 HydrophobicContact CG-CD1 4.01Å; Y31-I57 HydrophobicContact CG-CG1 3.57Å; W53-I57 WeakPolarHBondContact O-CG1 3.36Å; W53-I57 PolarHBondContact O-N 3.32Å; W53-I57 VanDerWaalsContact O-N 3.12Å; I57-F59 PolarHBondContact O-N 3.19Å; I57-L60 PolarHBondContact O-N 3.5Å; I57-K61 HydrophobicContact CG2-CD 4.3Å; I57-K61 WeakPolarHBondContact O-CG 3.11Å; I57-K61 PolarHBondContact O-N 3.13Å; I57-I66 HydrophobicContact CD1-CD1 3.85Å; I57-I66 HydrophobicContact CG2-CD1 4.07Å; I57-I71 HydrophobicContact CD1-CD1 3.59Å; I57-I71 HydrophobicContact CG1-CD1 4.43Å; I57-V148 HydrophobicContact CD1-CB 4.47Å; I57-V148 HydrophobicContact CD1-CG1 3.83Å; I57-V148 HydrophobicContact CD1-CG2 4.06Å; I57-V148 HydrophobicContact CG1-CG2 4.21Å
58R97Very high90.7Very high126 Ų12646.3 Ų46.348%0.47523%0.228SC..Hα-helixtrans-59.2-47.4175.9-178.7-177.359-177.90.1111.8G54 K55 V56 L60 K61 E62G54-R58 WeakPolarHBondContact O-CB 2.95Å; G54-R58 PolarHBondContact O-N 3.15Å; K55-R58 PolarHBondContact O-N 3.26Å; V56-R58 VanDerWaalsContact C-N 3.3Å; V56-R58 PolarHBondContact O-N 2.84Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.02Å; R58-K61 WeakPolarHBondContact O-CB 3.47Å; R58-K61 PolarHBondContact O-N 3.46Å; R58-E62 HydrophobicContact CG-CG 4.48Å; R58-E62 WeakPolarHBondContact CG-OE1 3.45Å; R58-E62 IonicContact NE-OE1 3.6Å; R58-E62 WeakPolarHBondContact O-CG 3.35Å; R58-E62 PolarHBondContact O-N 3.47Å
59F97.8Very high92.2Very high36 Ų3651.5 Ų51.516%0.15825%0.252CS..Hα-helixtrans-62-41.3177.7-64.9-46.5000112.1K55 V56 I57 K61 E62 E63 A320 R321 A324K55-F59 HydrophobicContact CB-CE2 4.25Å; K55-F59 WeakPolarHBondContact O-CD2 3.39Å; K55-F59 WeakPolarHBondContact O-CG 3.42Å; K55-F59 PolarHBondContact O-N 3.2Å; V56-F59 PolarHBondContact O-N 2.83Å; V56-F59 VanDerWaalsContact O-N 3.15Å; I57-F59 PolarHBondContact O-N 3.19Å; F59-K61 VanDerWaalsContact C-N 3.28Å; F59-K61 PolarHBondContact O-N 2.64Å; F59-E62 WeakPolarHBondContact CD1-OE2 3.34Å; F59-E62 PolarHBondContact O-N 2.9Å; F59-E63 VanDerWaalsContact O-CG 3.28Å; F59-E63 WeakPolarHBondContact O-CG 3.3Å; F59-E63 PolarHBondContact O-N 3.33Å; F59-E63 VanDerWaalsContact O-N 3.09Å; F59-A320 HydrophobicContact CE2-CB 4.12Å; F59-R321 HydrophobicContact CD2-CB 4.21Å; F59-R321 HydrophobicContact CE2-CB 3.82Å; F59-R321 HydrophobicContact CZ-CB 4.29Å; F59-A324 HydrophobicContact CB-CB 3.61Å; F59-A324 HydrophobicContact CD2-CB 4.25Å; F59-A324 HydrophobicContact CG-CB 4.38Å
60L97.6Very high93.2Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-65-31.6176.8-63.8179.6000113V56 I57 R58 Q64 F65 I66 A324 I327 L328V56-L60 HydrophobicContact CG1-CD1 4.12Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 WeakPolarHBondContact O-CG 3.23Å; V56-L60 PolarHBondContact O-N 2.92Å; I57-L60 PolarHBondContact O-N 3.5Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.02Å; L60-Q64 PolarHBondContact O-N 2.99Å; L60-F65 HydrophobicContact CD2-CD1 4.25Å; L60-F65 PolarHBondContact O-N 2.69Å; L60-I66 HydrophobicContact CB-CD1 3.57Å; L60-I66 HydrophobicContact CB-CG1 3.67Å; L60-I66 HydrophobicContact CD1-CD1 4.02Å; L60-I66 HydrophobicContact CG-CD1 4.46Å; L60-I66 PolarHBondContact O-N 3.37Å; L60-A324 HydrophobicContact CD2-CB 3.99Å; L60-A324 HydrophobicContact CG-CB 4.32Å; L60-I327 HydrophobicContact CD1-CD1 4.04Å; L60-I327 HydrophobicContact CD1-CG2 4.2Å; L60-I327 HydrophobicContact CD2-CB 4.1Å; L60-I327 HydrophobicContact CD2-CG2 3.92Å; L60-L328 HydrophobicContact CD2-CD1 4.31Å; L60-L328 HydrophobicContact CD2-CD2 4.12Å; L60-L328 HydrophobicContact CD2-CG 3.87Å
61K97.1Very high94.3Very high69 Ų6952.2 Ų52.230%0.326%0.255SS..Hα-helixtrans-72-42.8172.7-72.5180178.2-174.40112.4I57 R58 F59 E63 Q64 I66 D68I57-K61 HydrophobicContact CG2-CD 4.3Å; I57-K61 WeakPolarHBondContact O-CG 3.11Å; I57-K61 PolarHBondContact O-N 3.13Å; R58-K61 WeakPolarHBondContact O-CB 3.47Å; R58-K61 PolarHBondContact O-N 3.46Å; F59-K61 VanDerWaalsContact C-N 3.28Å; F59-K61 PolarHBondContact O-N 2.64Å; K61-E63 PolarHBondContact O-N 3.47Å; K61-Q64 WeakPolarHBondContact O-CA 3.24Å; K61-Q64 PolarHBondContact O-N 2.97Å; K61-I66 HydrophobicContact CG-CD1 4.31Å; K61-I66 HydrophobicContact CG-CG1 3.79Å; K61-D68 WeakPolarHBondContact CE-OD1 3.37Å; K61-D68 IonicContact NZ-OD1 2.83Å; K61-D68 PolarHBondContact NZ-OD1 3.06Å; K61-D68 IonicContact NZ-OD2 3.94Å; K61-D68 PolarHBondContact NZ-OD2 3.15Å
62E97.3Very high95.1Very high112 Ų11251.4 Ų51.452%0.52325%0.247SC..Hα-helixtrans-57.5-38.1176.3-74.4168.7-172.900111.2R58 F59 Q64R58-E62 HydrophobicContact CG-CG 4.48Å; R58-E62 WeakPolarHBondContact CG-OE1 3.45Å; R58-E62 IonicContact NE-OE1 3.6Å; R58-E62 WeakPolarHBondContact O-CG 3.35Å; R58-E62 PolarHBondContact O-N 3.47Å; F59-E62 WeakPolarHBondContact CD1-OE2 3.34Å; F59-E62 PolarHBondContact O-N 2.9Å; E62-Q64 PolarHBondContact O-N 3.37Å
63E96.2Very high95.5Very high88 Ų8857.4 Ų57.441%0.41128%0.275SS..THydrogen-bonded Turntrans-86.211.1177.5-56.3-75.3178.700112.9F59 K61 F65 R321 L328F59-E63 VanDerWaalsContact O-CG 3.28Å; F59-E63 WeakPolarHBondContact O-CG 3.3Å; F59-E63 PolarHBondContact O-N 3.33Å; F59-E63 VanDerWaalsContact O-N 3.09Å; K61-E63 PolarHBondContact O-N 3.47Å; E63-F65 PolarHBondContact O-N 2.87Å; E63-R321 IonicContact OE1-CZ 2.9Å; E63-R321 IonicContact OE1-NH1 3.57Å; E63-R321 PolarHBondContact OE1-NH1 3.2Å; E63-R321 IonicContact OE1-NH2 3.89Å; E63-R321 PolarHBondContact OE1-NH2 2.91Å; E63-L328 HydrophobicContact CB-CD1 3.93Å; E63-L328 HydrophobicContact CB-CD2 3.97Å; E63-L328 HydrophobicContact CG-CD1 3.67Å
64Q94.6Very high95.7Very high168 Ų16857.4 Ų57.479%0.78528%0.275SS*.THydrogen-bonded Turntrans53.928.5175.9-56-178.9-29.400114.3L60 K61 E62L60-Q64 PolarHBondContact O-N 2.99Å; K61-Q64 WeakPolarHBondContact O-CA 3.24Å; K61-Q64 PolarHBondContact O-N 2.97Å; E62-Q64 PolarHBondContact O-N 3.37Å
65F94.9Very high95.9Very high13 Ų1362.6 Ų62.66%0.05729%0.289CS..SBendtrans-82.2-38.3174.6-179.3-140.3000111.6L27 I29 L60 E63 I327 L328 R331 I336L27-F65 HydrophobicContact CD1-CD2 4.21Å; L27-F65 HydrophobicContact CD1-CE2 3.79Å; L27-F65 HydrophobicContact CD1-CZ 4.07Å; I29-F65 HydrophobicContact CD1-CD1 4.19Å; I29-F65 HydrophobicContact CD1-CE1 3.52Å; I29-F65 HydrophobicContact CD1-CZ 4.11Å; L60-F65 HydrophobicContact CD2-CD1 4.25Å; L60-F65 PolarHBondContact O-N 2.69Å; E63-F65 PolarHBondContact O-N 2.87Å; F65-I327 HydrophobicContact CD1-CG2 4.06Å; F65-I327 HydrophobicContact CE1-CG2 3.6Å; F65-L328 HydrophobicContact CB-CD2 3.84Å; F65-L328 HydrophobicContact CD1-CD2 4.33Å; F65-L328 HydrophobicContact CG-CD2 4.28Å; F65-R331 HydrophobicContact CD2-CG 4.16Å; F65-R331 HydrophobicContact CE2-CB 4.19Å; F65-R331 VanDerWaalsContact CE2-CD 3.46Å; F65-R331 HydrophobicContact CE2-CG 3.72Å; F65-R331 HydrophobicContact CZ-CB 4.18Å; F65-R331 HydrophobicContact CZ-CG 4.2Å; F65-I336 HydrophobicContact CE1-CD1 4.12Å; F65-I336 HydrophobicContact CZ-CD1 3.95Å; F65-I336 HydrophobicContact CZ-CG1 4.44Å
66I95.7Very high96Very high2 Ų263.2 Ų63.21%0.0129%0.293CS..  trans-127.8158.7179.667176.7000111.4L27 I29 I57 L60 K61 N70 I71L27-I66 HydrophobicContact CD1-CG2 4.12Å; I29-I66 HydrophobicContact CD1-CG2 3.73Å; I57-I66 HydrophobicContact CD1-CD1 3.85Å; I57-I66 HydrophobicContact CG2-CD1 4.07Å; L60-I66 HydrophobicContact CB-CD1 3.57Å; L60-I66 HydrophobicContact CB-CG1 3.67Å; L60-I66 HydrophobicContact CD1-CD1 4.02Å; L60-I66 HydrophobicContact CG-CD1 4.46Å; L60-I66 PolarHBondContact O-N 3.37Å; K61-I66 HydrophobicContact CG-CD1 4.31Å; K61-I66 HydrophobicContact CG-CG1 3.79Å; I66-N70 VanDerWaalsContact CA-OD1 3.23Å; I66-N70 WeakPolarHBondContact CA-OD1 3.45Å; I66-N70 WeakPolarHBondContact CB-OD1 3.42Å; I66-I71 HydrophobicContact CD1-CD1 4.18Å
67T95.1Very high96.1Very high60 Ų6063.2 Ų63.237%0.36829%0.293SS..  trans-132.3173.2170.473.80000108.9E69 N70 I71T67-E69 WeakPolarHBondContact CB-OE2 3.13Å; T67-E69 PolarHBondContact O-N 3.27Å; T67-E69 PolarHBondContact OG1-N 3.34Å; T67-E69 PolarHBondContact OG1-OE2 3.49Å; T67-N70 PolarHBondContact N-OD1 2.93Å; T67-N70 PolarHBondContact O-N 3.38Å; T67-N70 PolarHBondContact O-OD1 3.47Å; T67-N70 PolarHBondContact OG1-N 3.04Å; T67-I71 PolarHBondContact O-N 2.78Å
68D92.3Very high96.1Very high109 Ų10964.8 Ų64.858%0.58331%0.305SS*.THydrogen-bonded Turntrans-66.3-23.1176.4-76.1-56.3000112.6K61K61-D68 WeakPolarHBondContact CE-OD1 3.37Å; K61-D68 IonicContact NZ-OD1 2.83Å; K61-D68 PolarHBondContact NZ-OD1 3.06Å; K61-D68 IonicContact NZ-OD2 3.94Å; K61-D68 PolarHBondContact NZ-OD2 3.15Å
69E92.6Very high96.1Very high145 Ų14562.6 Ų62.668%0.67830%0.3SS*.THydrogen-bonded Turntrans-87.1-18.1-178.1-53.474.7-160.800113.2T67T67-E69 WeakPolarHBondContact CB-OE2 3.13Å; T67-E69 PolarHBondContact O-N 3.27Å; T67-E69 PolarHBondContact OG1-N 3.34Å; T67-E69 PolarHBondContact OG1-OE2 3.49Å
70N93.8Very high96.1Very high35 Ų3566 Ų6619%0.18732%0.316CS..SBendtrans-112.86.3-175.484.8-0.1000114.1C26 L27 I66 T67C26-N70 CarbonylContact C-O 3.5Å; C26-N70 VanDerWaalsContact CA-O 3.27Å; C26-N70 WeakPolarHBondContact CA-O 3.2Å; L27-N70 PolarHBondContact N-O 2.93Å; I66-N70 VanDerWaalsContact CA-OD1 3.23Å; I66-N70 WeakPolarHBondContact CA-OD1 3.45Å; I66-N70 WeakPolarHBondContact CB-OD1 3.42Å; T67-N70 PolarHBondContact N-OD1 2.93Å; T67-N70 PolarHBondContact O-N 3.38Å; T67-N70 PolarHBondContact O-OD1 3.47Å; T67-N70 PolarHBondContact OG1-N 3.04Å
71I95.2Very high96.1Very high23 Ų2366.2 Ų66.212%0.11832%0.317CS..SBendtrans-96.3153.5172.7-164.4172.1000110.5I29 Y31 I57 I66 T67I29-I71 HydrophobicContact CB-CG1 4.49Å; I29-I71 HydrophobicContact CG2-CD1 4.32Å; I29-I71 HydrophobicContact CG2-CG1 4.31Å; I29-I71 WeakPolarHBondContact O-CG1 3.49Å; Y31-I71 HydrophobicContact CD1-CD1 4.25Å; Y31-I71 HydrophobicContact CG-CD1 4.32Å; I57-I71 HydrophobicContact CD1-CD1 3.59Å; I57-I71 HydrophobicContact CG1-CD1 4.43Å; I66-I71 HydrophobicContact CD1-CD1 4.18Å; T67-I71 PolarHBondContact O-N 2.78Å
72V97.2Very high96.2Very high2 Ų262.9 Ų62.91%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-91.2122.5172.8179.50000109.9I22 C26 L27 I29 V30 Y31 M134 L138I22-V72 HydrophobicContact CD1-CG1 3.73Å; I22-V72 HydrophobicContact CG1-CG1 4.04Å; I22-V72 HydrophobicContact CG2-CG1 4.46Å; I22-V72 HydrophobicContact CG2-CG2 3.5Å; C26-V72 HydrophobicContact CB-CG2 4.03Å; L27-V72 WeakPolarHBondContact O-CG2 3.37Å; I29-V72 PolarHBondContact O-N 3.36Å; V30-V72 WeakPolarHBondContact CA-O 3.23Å; V30-V72 HydrophobicContact CG2-CB 4.05Å; V30-V72 HydrophobicContact CG2-CG1 4.14Å; Y31-V72 PolarHBondContact N-O 3.08Å; V72-M134 HydrophobicContact CG1-CG 4.11Å; V72-L138 HydrophobicContact CB-CD1 4.29Å; V72-L138 HydrophobicContact CG1-CD1 4.06Å; V72-L138 HydrophobicContact CG2-CD1 3.89Å
73E96.4Very high96.2Very high127 Ų12760.3 Ų60.359%0.59329%0.292SS*.EExtended strand (participates in β ladder)trans-77.7125.6174.9-171170.8-160.700111.5Y31 H32Y31-E73 CarbonylContact O-C 3.44Å; Y31-E73 VanDerWaalsContact O-CA 3.3Å; Y31-E73 WeakPolarHBondContact O-CA 3.47Å; H32-E73 IonicContact CD2-OE1 3.31Å; H32-E73 PolarHBondContact CD2-OE1 3.31Å; H32-E73 VanDerWaalsContact CD2-OE1 3.28Å; H32-E73 IonicContact NE2-OE1 2.69Å; H32-E73 PolarHBondContact NE2-OE1 3.49Å
74A97Very high96.3Very high3 Ų357.9 Ų57.93%0.02528%0.283CS..PPolyproline II helixtrans-74.8146.1177.200000111.9V30 Y31 H32 Y35 T127V30-A74 HydrophobicContact CG1-CB 3.75Å; Y31-A74 PolarHBondContact O-N 3.39Å; H32-A74 HydrophobicContact CB-CB 3.99Å; H32-A74 PolarHBondContact CD2-O 2.64Å; H32-A74 VanDerWaalsContact CD2-O 3.28Å; Y35-A74 HydrophobicContact CE1-CB 3.68Å; Y35-A74 WeakPolarHBondContact OH-CB 3.4Å; A74-T127 HydrophobicContact CB-CG2 4.18Å
75R97.3Very high96.4Very high127 Ų12751.1 Ų51.148%0.47925%0.253SS..  trans-106.2148.4174.8-67.2178.8-179.7-176.7-2.4110.7N17 L18 A77 G130N17-R75 VanDerWaalsContact O-CD 3.24Å; N17-R75 WeakPolarHBondContact O-CD 3.31Å; N17-R75 PolarHBondContact O-NH1 3.45Å; L18-R75 HydrophobicContact CD2-CB 3.89Å; R75-A77 PolarHBondContact O-N 3.16Å; R75-G130 WeakPolarHBondContact O-CA 3.36Å
76E97.4Very high96.6Very high77 Ų7750.7 Ų50.736%0.3625%0.251SS..PPolyproline II helixtrans-66128.9173.6-174.7178.4173.700111S78 R123 R126E76-S78 PolarHBondContact O-N 2.81Å; E76-R123 IonicContact OE2-CZ 2.9Å; E76-R123 IonicContact OE2-NE 2.74Å; E76-R123 PolarHBondContact OE2-NE 3Å; E76-R123 IonicContact OE2-NH2 3.93Å; E76-R126 HydrophobicContact CG-CB 3.78Å
77A98Very high96.7Very high0 Ų053.2 Ų53.20%027%0.267CS..PPolyproline II helixtrans-70.1124.9172.600000111.3L18 R75 D81 L82 R126 T129L18-A77 HydrophobicContact CD1-CB 4.2Å; R75-A77 PolarHBondContact O-N 3.16Å; A77-D81 HydrophobicContact CB-CB 4.2Å; A77-L82 HydrophobicContact CB-CD2 4.03Å; A77-L82 HydrophobicContact CB-CG 4.42Å; A77-R126 PolarHBondContact N-O 3.32Å; A77-R126 PolarHBondContact O-NE 3.25Å; A77-R126 VanDerWaalsContact O-NE 3.14Å; A77-T129 HydrophobicContact CB-CG2 4.26Å
78S97.7Very high96.9Very high39 Ų3958 Ų5827%0.27328%0.283SS..PPolyproline II helixtrans-68.9170.4178.389.80000111.7E76 E80 D81 L82E76-S78 PolarHBondContact O-N 2.81Å; S78-E80 VanDerWaalsContact C-N 3.28Å; S78-E80 VanDerWaalsContact CB-OE2 3.31Å; S78-E80 WeakPolarHBondContact CB-OE2 3.41Å; S78-E80 PolarHBondContact O-N 3.43Å; S78-E80 PolarHBondContact OG-N 2.73Å; S78-E80 PolarHBondContact OG-OE2 3.18Å; S78-D81 PolarHBondContact N-OD2 2.79Å; S78-D81 PolarHBondContact O-N 3.23Å; S78-D81 PolarHBondContact OG-N 3.46Å; S78-D81 VanDerWaalsContact OG-N 3.12Å; S78-D81 PolarHBondContact OG-OD2 2.7Å; S78-L82 WeakPolarHBondContact O-CG 3.49Å; S78-L82 PolarHBondContact O-N 3.14Å; S78-L82 VanDerWaalsContact O-N 3.11Å
79E96.8Very high97.1Very high80 Ų8061.6 Ų61.637%0.37429%0.288SS..Hα-helixtrans-63.2-38.1172.9-168.5167.3160.800111.6L82 L83 L91 R126E79-L82 PolarHBondContact O-N 3.42Å; E79-L83 HydrophobicContact CG-CD1 4.39Å; E79-L83 VanDerWaalsContact O-CG 3.23Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.25Å; E79-L91 HydrophobicContact CG-CD1 4.13Å; E79-R126 VanDerWaalsContact CA-NH2 3.3Å
80E97.3Very high97.4Very high106 Ų10655.2 Ų55.250%0.49526%0.258SS..Hα-helixtrans-63.6-40.3175.4-57.972.1-157.800111.9S78 L83S78-E80 VanDerWaalsContact C-N 3.28Å; S78-E80 VanDerWaalsContact CB-OE2 3.31Å; S78-E80 WeakPolarHBondContact CB-OE2 3.41Å; S78-E80 PolarHBondContact O-N 3.43Å; S78-E80 PolarHBondContact OG-N 2.73Å; S78-E80 PolarHBondContact OG-OE2 3.18Å; E80-L83 PolarHBondContact O-N 2.9Å
81D98.1Very high97.6Very high5 Ų554 Ų543%0.02725%0.252CS..Hα-helixtrans-60.2-46.4173.7-66-40.8000111.3H14 T16 L18 A77 S78 L83 V84 L171 F175H14-D81 IonicContact CD2-OD1 3.68Å; H14-D81 IonicContact CE1-OD1 2.73Å; H14-D81 WeakPolarHBondContact NE2-CA 3.05Å; H14-D81 PolarHBondContact NE2-N 3.4Å; H14-D81 IonicContact NE2-OD1 2.7Å; H14-D81 PolarHBondContact NE2-OD1 3.29Å; T16-D81 WeakPolarHBondContact CB-OD1 3.23Å; T16-D81 PolarHBondContact OG1-OD1 3.2Å; L18-D81 HydrophobicContact CD1-CB 3.97Å; L18-D81 WeakPolarHBondContact CD1-OD2 3.32Å; L18-D81 WeakPolarHBondContact CG-OD2 3.36Å; A77-D81 HydrophobicContact CB-CB 4.2Å; S78-D81 PolarHBondContact N-OD2 2.79Å; S78-D81 PolarHBondContact O-N 3.23Å; S78-D81 PolarHBondContact OG-N 3.46Å; S78-D81 VanDerWaalsContact OG-N 3.12Å; S78-D81 PolarHBondContact OG-OD2 2.7Å; D81-L83 VanDerWaalsContact C-N 3.3Å; D81-L83 PolarHBondContact O-N 2.98Å; D81-V84 WeakPolarHBondContact O-CB 3.45Å; D81-V84 WeakPolarHBondContact O-CG2 3.28Å; D81-V84 PolarHBondContact O-N 3.04Å; D81-L171 WeakPolarHBondContact O-CD2 3.38Å; D81-F175 HydrophobicContact CB-CZ 3.91Å
82L98.4Very high97.8Very high0 Ų054.2 Ų54.20%026%0.259CS..Hα-helixtrans-66-32.8179.4-66.1-176.6000112.5A77 S78 E79 V84 V85 H86 L91 R126 T129 Y166 L171A77-L82 HydrophobicContact CB-CD2 4.03Å; A77-L82 HydrophobicContact CB-CG 4.42Å; S78-L82 WeakPolarHBondContact O-CG 3.49Å; S78-L82 PolarHBondContact O-N 3.14Å; S78-L82 VanDerWaalsContact O-N 3.11Å; E79-L82 PolarHBondContact O-N 3.42Å; L82-V84 PolarHBondContact O-N 3.34Å; L82-V84 VanDerWaalsContact O-N 3.15Å; L82-V85 PolarHBondContact O-N 3.09Å; L82-H86 WeakPolarHBondContact O-CB 3.23Å; L82-H86 PolarHBondContact O-N 2.68Å; L82-L91 HydrophobicContact CB-CD1 3.82Å; L82-L91 HydrophobicContact CB-CD2 4.18Å; L82-L91 HydrophobicContact CD1-CD2 3.93Å; L82-R126 HydrophobicContact CD1-CG 4.31Å; L82-R126 VanDerWaalsContact CD1-NH2 3.35Å; L82-T129 HydrophobicContact CD2-CG2 3.99Å; L82-Y166 HydrophobicContact CD1-CD1 3.64Å; L82-Y166 HydrophobicContact CD1-CE1 3.39Å; L82-Y166 HydrophobicContact CD2-CD1 3.96Å; L82-Y166 HydrophobicContact CD2-CG 4.32Å; L82-Y166 HydrophobicContact CG-CD1 4.44Å; L82-L171 HydrophobicContact CD2-CD1 3.72Å
83L98.1Very high97.8Very high57 Ų5755.7 Ų55.730%0.29827%0.27SS..THydrogen-bonded Turntrans-66.8-9.3-179.7-76.5171.4000114.3E79 E80 D81 V85 K88 L91E79-L83 HydrophobicContact CG-CD1 4.39Å; E79-L83 VanDerWaalsContact O-CG 3.23Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.25Å; E80-L83 PolarHBondContact O-N 2.9Å; D81-L83 VanDerWaalsContact C-N 3.3Å; D81-L83 PolarHBondContact O-N 2.98Å; L83-V85 PolarHBondContact O-N 2.87Å; L83-K88 HydrophobicContact CD2-CB 4.32Å; L83-K88 HydrophobicContact CD2-CG 3.46Å; L83-K88 VanDerWaalsContact CD2-CG 3.46Å; L83-L91 HydrophobicContact CD2-CD1 3.72Å; L83-L91 HydrophobicContact CG-CD1 3.88Å
84V97.4Very high97.8Very high38 Ų3849.9 Ų49.923%0.2324%0.243CC..THydrogen-bonded Turntrans-61.4-34.51711750000111.5H14 D81 L82 L171 K174 F175H14-V84 VanDerWaalsContact CE1-CG2 3.43Å; H14-V84 WeakPolarHBondContact CE1-CG2 3.43Å; D81-V84 WeakPolarHBondContact O-CB 3.45Å; D81-V84 WeakPolarHBondContact O-CG2 3.28Å; D81-V84 PolarHBondContact O-N 3.04Å; L82-V84 PolarHBondContact O-N 3.34Å; L82-V84 VanDerWaalsContact O-N 3.15Å; V84-L171 HydrophobicContact CB-CD2 4.07Å; V84-K174 HydrophobicContact CG1-CB 4Å; V84-F175 HydrophobicContact CB-CD2 4.42Å; V84-F175 HydrophobicContact CB-CE2 3.88Å; V84-F175 HydrophobicContact CG1-CD2 4.16Å; V84-F175 HydrophobicContact CG1-CE2 4.12Å; V84-F175 HydrophobicContact CG2-CD2 4.39Å; V84-F175 HydrophobicContact CG2-CE2 3.61Å; V84-F175 HydrophobicContact CG2-CZ 4.08Å
85V97.9Very high97.7Very high25 Ų2555.4 Ų55.415%0.15227%0.266CS..THydrogen-bonded Turntrans-118.1-40.8179.2168.80000111.2L82 L83 G157 A167 T170 L171 K174L82-V85 PolarHBondContact O-N 3.09Å; L83-V85 PolarHBondContact O-N 2.87Å; V85-G157 WeakPolarHBondContact O-CA 3.35Å; V85-A167 HydrophobicContact CG1-CB 4.13Å; V85-T170 HydrophobicContact CB-CG2 4.4Å; V85-T170 HydrophobicContact CG1-CG2 3.7Å; V85-T170 HydrophobicContact CG2-CG2 3.71Å; V85-L171 HydrophobicContact CB-CD2 3.68Å; V85-L171 HydrophobicContact CB-CG 3.88Å; V85-L171 HydrophobicContact CG2-CB 4.44Å; V85-L171 HydrophobicContact CG2-CD2 3.63Å; V85-L171 HydrophobicContact CG2-CG 3.84Å; V85-K174 HydrophobicContact CG2-CB 4.2Å; V85-K174 HydrophobicContact CG2-CG 3.8Å
86H98.6Very high97.7Very high4 Ų458.1 Ų58.12%0.01928%0.276CS..SBendtrans-82.2139.7-171.7-68-64.2000113.5L82 Y90 L91 S156 G157 Y166 A167L82-H86 WeakPolarHBondContact O-CB 3.23Å; L82-H86 PolarHBondContact O-N 2.68Å; H86-Y90 HydrophobicContact CB-CD1 4.22Å; H86-Y90 AromaticContact CE1-CE1 3.85Å; H86-Y90 AromaticContact ND1-CD1 3.46Å; H86-Y90 WeakPolarHBondContact ND1-CD1 3.41Å; H86-Y90 AromaticContact ND1-CE1 3.54Å; H86-L91 HydrophobicContact CB-CD1 4.06Å; H86-L91 HydrophobicContact CB-CD2 3.67Å; H86-L91 HydrophobicContact CB-CG 3.72Å; H86-S156 PolarHBondContact CE1-O 3.47Å; H86-S156 PolarHBondContact ND1-O 2.54Å; H86-G157 CarbonylContact C-O 3.28Å; H86-G157 WeakPolarHBondContact CA-O 3.26Å; H86-G157 PolarHBondContact ND1-O 2.77Å; H86-Y166 WeakPolarHBondContact NE2-CA 3.39Å; H86-A167 PolarHBondContact CE1-N 2.93Å; H86-A167 PolarHBondContact NE2-N 2.85Å
87T98.4Very high97.5Very high55 Ų5555 Ų5534%0.33726%0.264SS..  trans-71.4143.1172.368.90000110.8R89 Y90 L91 G157 D158T87-R89 PolarHBondContact O-N 3.06Å; T87-R89 VanDerWaalsContact O-N 3.14Å; T87-Y90 PolarHBondContact O-N 3.46Å; T87-Y90 VanDerWaalsContact OG1-CB 3.3Å; T87-Y90 WeakPolarHBondContact OG1-CB 3.3Å; T87-Y90 PolarHBondContact OG1-N 2.84Å; T87-Y90 VanDerWaalsContact OG1-N 3.11Å; T87-L91 PolarHBondContact O-N 2.91Å; T87-G157 PolarHBondContact N-O 3.04Å; T87-D158 HydrophobicContact CG2-CB 3.88Å
88K98.2Very high97.4Very high162 Ų16261.6 Ų61.670%0.70429%0.292SS*.Hα-helixtrans-51.5-37.8171.6-71.4-177178.7-176.90112.3L83 G92L83-K88 HydrophobicContact CD2-CB 4.32Å; L83-K88 HydrophobicContact CD2-CG 3.46Å; L83-K88 VanDerWaalsContact CD2-CG 3.46Å; K88-G92 PolarHBondContact O-N 3.01Å
89R98.3Very high97.3Very high183 Ų18361.6 Ų61.669%0.69129%0.29SS*.Hα-helixtrans-60.4-48.4176.8-176.8-176.268.1130.3-0.4111.4T87 G92 S93 D158T87-R89 PolarHBondContact O-N 3.06Å; T87-R89 VanDerWaalsContact O-N 3.14Å; R89-G92 PolarHBondContact O-N 3.09Å; R89-S93 PolarHBondContact O-N 2.96Å; R89-D158 IonicContact NH2-OD2 3.22Å
90Y98.4Very high97.2Very high11 Ų1157.8 Ų57.84%0.04327%0.273CS..Hα-helixtrans-65.6-49179.6174.4-113.5000111.6H86 T87 G92 S93 L94 I103 D158 G160 A165H86-Y90 HydrophobicContact CB-CD1 4.22Å; H86-Y90 AromaticContact CE1-CE1 3.85Å; H86-Y90 AromaticContact ND1-CD1 3.46Å; H86-Y90 WeakPolarHBondContact ND1-CD1 3.41Å; H86-Y90 AromaticContact ND1-CE1 3.54Å; T87-Y90 PolarHBondContact O-N 3.46Å; T87-Y90 VanDerWaalsContact OG1-CB 3.3Å; T87-Y90 WeakPolarHBondContact OG1-CB 3.3Å; T87-Y90 PolarHBondContact OG1-N 2.84Å; T87-Y90 VanDerWaalsContact OG1-N 3.11Å; Y90-G92 PolarHBondContact O-N 3.47Å; Y90-S93 WeakPolarHBondContact O-CA 3.37Å; Y90-S93 VanDerWaalsContact O-CB 3.32Å; Y90-S93 WeakPolarHBondContact O-CB 3.43Å; Y90-S93 PolarHBondContact O-N 3.04Å; Y90-S93 PolarHBondContact O-OG 2.89Å; Y90-L94 HydrophobicContact CE1-CD1 4.1Å; Y90-L94 HydrophobicContact CE2-CD2 4.28Å; Y90-L94 PolarHBondContact O-N 3.3Å; Y90-I103 HydrophobicContact CE2-CD1 4.25Å; Y90-D158 WeakPolarHBondContact CD2-O 3.34Å; Y90-G160 VanDerWaalsContact CE2-N 3.3Å; Y90-G160 VanDerWaalsContact OH-CA 3.28Å; Y90-G160 WeakPolarHBondContact OH-CA 3.47Å; Y90-G160 PolarHBondContact OH-N 3.43Å; Y90-A165 WeakPolarHBondContact CE1-O 3.12Å; Y90-A165 PolarHBondContact OH-O 3.01Å
91L98.2Very high96.9Very high11 Ų1153 Ų536%0.05825%0.251CS..Hα-helixtrans-59.7-37.4176.4-63.3-175.8000112E79 L82 L83 H86 T87 S93 L94 Y166E79-L91 HydrophobicContact CG-CD1 4.13Å; L82-L91 HydrophobicContact CB-CD1 3.82Å; L82-L91 HydrophobicContact CB-CD2 4.18Å; L82-L91 HydrophobicContact CD1-CD2 3.93Å; L83-L91 HydrophobicContact CD2-CD1 3.72Å; L83-L91 HydrophobicContact CG-CD1 3.88Å; H86-L91 HydrophobicContact CB-CD1 4.06Å; H86-L91 HydrophobicContact CB-CD2 3.67Å; H86-L91 HydrophobicContact CB-CG 3.72Å; T87-L91 PolarHBondContact O-N 2.91Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 2.92Å; L91-L94 HydrophobicContact CD2-CD1 4.28Å; L91-L94 PolarHBondContact O-N 3.35Å; L91-Y166 HydrophobicContact CD2-CD1 4.46Å; L91-Y166 HydrophobicContact CD2-CE1 4.15Å
92G97.9Very high96.7Very high27 Ų2757 Ų5728%0.27828%0.276SS..Hα-helixtrans-61.5-33172.300000113.4K88 R89 Y90 K95K88-G92 PolarHBondContact O-N 3.01Å; R89-G92 PolarHBondContact O-N 3.09Å; Y90-G92 PolarHBondContact O-N 3.47Å; G92-K95 WeakPolarHBondContact O-CB 3.19Å; G92-K95 PolarHBondContact O-N 3.47Å
93S97.8Very high96.5Very high33 Ų3357.5 Ų57.523%0.23128%0.279CS..Hα-helixtrans-69.4-31.4177.280.40000113.2R89 Y90 L91 K95 W96 V99R89-S93 PolarHBondContact O-N 2.96Å; Y90-S93 WeakPolarHBondContact O-CA 3.37Å; Y90-S93 VanDerWaalsContact O-CB 3.32Å; Y90-S93 WeakPolarHBondContact O-CB 3.43Å; Y90-S93 PolarHBondContact O-N 3.04Å; Y90-S93 PolarHBondContact O-OG 2.89Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 2.92Å; S93-K95 PolarHBondContact O-N 3.19Å; S93-K95 VanDerWaalsContact O-N 3.14Å; S93-W96 PolarHBondContact O-N 3.31Å; S93-W96 VanDerWaalsContact O-N 3.08Å; S93-V99 WeakPolarHBondContact O-CB 3.48Å
94L97.1Very high96.1Very high4 Ų455.2 Ų55.22%0.02127%0.267CS..THydrogen-bonded Turntrans-67.4-11.1177.7-63.2179.4000113.4Y90 L91 W96 V99 V100 I103 Q118 L122 Y166Y90-L94 HydrophobicContact CE1-CD1 4.1Å; Y90-L94 HydrophobicContact CE2-CD2 4.28Å; Y90-L94 PolarHBondContact O-N 3.3Å; L91-L94 HydrophobicContact CD2-CD1 4.28Å; L91-L94 PolarHBondContact O-N 3.35Å; L94-W96 PolarHBondContact O-N 3.26Å; L94-V99 HydrophobicContact CD2-CG1 4.28Å; L94-V100 WeakPolarHBondContact O-CG2 3.33Å; L94-I103 HydrophobicContact CD2-CD1 3.59Å; L94-Q118 PolarHBondContact O-NE2 3.12Å; L94-L122 HydrophobicContact CB-CD1 4.05Å; L94-L122 WeakPolarHBondContact O-CD1 3.22Å; L94-Y166 HydrophobicContact CD1-CD1 4.21Å; L94-Y166 HydrophobicContact CD1-CE1 3.45Å; L94-Y166 VanDerWaalsContact CD1-CE1 3.45Å
95K95.1Very high95.7Very high120 Ų12058.3 Ų58.352%0.52228%0.279SS..THydrogen-bonded Turntrans-68.1-15171-61.4-176.3179.7-179.60112.4G92 S93 N114G92-K95 WeakPolarHBondContact O-CB 3.19Å; G92-K95 PolarHBondContact O-N 3.47Å; S93-K95 PolarHBondContact O-N 3.19Å; S93-K95 VanDerWaalsContact O-N 3.14Å; K95-N114 PolarHBondContact O-ND2 2.95Å; K95-N114 PolarHBondContact O-OD1 3.24Å
96W95.9Very high95.1Very high183 Ų18359.2 Ų59.269%0.69328%0.282SS*.SBendtrans-99.3121.4179.4-61.198.3000111.5S93 L94 F98 V99 V100S93-W96 PolarHBondContact O-N 3.31Å; S93-W96 VanDerWaalsContact O-N 3.08Å; L94-W96 PolarHBondContact O-N 3.26Å; W96-F98 PolarHBondContact O-N 2.83Å; W96-F98 VanDerWaalsContact O-N 3.11Å; W96-V99 HydrophobicContact CB-CG2 4.08Å; W96-V99 WeakPolarHBondContact O-CB 3.31Å; W96-V99 PolarHBondContact O-N 2.96Å; W96-V100 PolarHBondContact O-N 3.38Å
97S93.8Very high94.5Very high13 Ų1363.7 Ų63.79%0.09131%0.312CS..Hα-helixtrans-57.1-30.9-179.1-56.40000113.1V100 A101 N114S97-V100 PolarHBondContact O-N 3.33Å; S97-A101 VanDerWaalsContact O-CB 3.28Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 3.34Å; S97-N114 PolarHBondContact N-ND2 3.37Å; S97-N114 PolarHBondContact OG-ND2 3.27Å
98F95.1Very high93.8Very high138 Ų13863.7 Ų63.761%0.60531%0.313SS*.Hα-helixtrans-61-42.1175.4178.9-97.4000113.2W96 T102 V110W96-F98 PolarHBondContact O-N 2.83Å; W96-F98 VanDerWaalsContact O-N 3.11Å; F98-T102 PolarHBondContact O-N 3.18Å; F98-T102 VanDerWaalsContact O-N 3.11Å; F98-T102 PolarHBondContact O-OG1 2.74Å; F98-V110 HydrophobicContact CD2-CG2 4.18Å
99V95.9Very high93.2Very high38 Ų3856.2 Ų56.223%0.2328%0.28CS..Hα-helixtrans-66.3-46.3177.6176.40000109.7S93 L94 W96 A101 T102 I103S93-V99 WeakPolarHBondContact O-CB 3.48Å; L94-V99 HydrophobicContact CD2-CG1 4.28Å; W96-V99 HydrophobicContact CB-CG2 4.08Å; W96-V99 WeakPolarHBondContact O-CB 3.31Å; W96-V99 PolarHBondContact O-N 2.96Å; V99-A101 PolarHBondContact O-N 3Å; V99-T102 PolarHBondContact O-N 2.83Å; V99-I103 HydrophobicContact CG1-CD1 3.8Å; V99-I103 WeakPolarHBondContact O-CG1 3.26Å; V99-I103 PolarHBondContact O-N 3.35Å
100V94.5Very high92.7Very high1 Ų150.8 Ų50.81%0.00627%0.268CS..Hα-helixtrans-60.1-47.2177.5-175.20000110.9L94 W96 S97 T102 I103 T104 L109 V117 V121 L122L94-V100 WeakPolarHBondContact O-CG2 3.33Å; W96-V100 PolarHBondContact O-N 3.38Å; S97-V100 PolarHBondContact O-N 3.33Å; V100-T102 PolarHBondContact O-N 2.96Å; V100-I103 PolarHBondContact O-N 3.22Å; V100-T104 HydrophobicContact CG1-CG2 4.12Å; V100-T104 WeakPolarHBondContact O-CG2 3.22Å; V100-T104 PolarHBondContact O-N 2.88Å; V100-T104 PolarHBondContact O-OG1 3.42Å; V100-L109 HydrophobicContact CG1-CD1 4.22Å; V100-V117 HydrophobicContact CB-CG1 3.85Å; V100-V117 HydrophobicContact CG1-CG1 3.65Å; V100-V117 HydrophobicContact CG2-CG1 4.09Å; V100-V121 HydrophobicContact CG1-CG1 4.1Å; V100-L122 HydrophobicContact CG1-CD2 4.04Å; V100-L122 HydrophobicContact CG1-CG 4.2Å; V100-L122 HydrophobicContact CG2-CD1 3.73Å; V100-L122 HydrophobicContact CG2-CD2 4.21Å; V100-L122 HydrophobicContact CG2-CG 4.13Å
101A92.1Very high92.2Very high5 Ų557.2 Ų57.24%0.04130%0.301CS..Hα-helixtrans-57.3-36.8178.200000113S97 V99 E105 I106 L109 V110S97-A101 VanDerWaalsContact O-CB 3.28Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 3.34Å; V99-A101 PolarHBondContact O-N 3Å; A101-E105 CarbonylContact O-C 3.54Å; A101-E105 VanDerWaalsContact O-CA 3.32Å; A101-E105 WeakPolarHBondContact O-CA 3.35Å; A101-E105 PolarHBondContact O-N 3.43Å; A101-I106 WeakPolarHBondContact CB-O 3.2Å; A101-I106 PolarHBondContact O-N 3.03Å; A101-L109 HydrophobicContact CB-CB 3.89Å; A101-V110 HydrophobicContact CB-CG2 3.52Å
102T93.9Very high91.7Very high88 Ų8858.2 Ų58.254%0.5431%0.306SS..Hα-helixtrans-72.3-45.4178.2-58.30000110.9F98 V99 V100 E105F98-T102 PolarHBondContact O-N 3.18Å; F98-T102 VanDerWaalsContact O-N 3.11Å; F98-T102 PolarHBondContact O-OG1 2.74Å; V99-T102 PolarHBondContact O-N 2.83Å; V100-T102 PolarHBondContact O-N 2.96Å; T102-E105 PolarHBondContact O-N 2.69Å
103I93.8Very high91.4Very high12 Ų1260.3 Ų60.36%0.06232%0.315CS..Hα-helixtrans-64.7-43.3179.4-70.7168.8000111.4Y90 L94 V99 V100 E105 F163 C164 A165Y90-I103 HydrophobicContact CE2-CD1 4.25Å; L94-I103 HydrophobicContact CD2-CD1 3.59Å; V99-I103 HydrophobicContact CG1-CD1 3.8Å; V99-I103 WeakPolarHBondContact O-CG1 3.26Å; V99-I103 PolarHBondContact O-N 3.35Å; V100-I103 PolarHBondContact O-N 3.22Å; I103-E105 VanDerWaalsContact C-N 3.31Å; I103-F163 WeakPolarHBondContact O-CA 3.36Å; I103-F163 PolarHBondContact O-N 2.8Å; I103-C164 VanDerWaalsContact CG2-O 3.28Å; I103-C164 WeakPolarHBondContact CG2-O 3.4Å; I103-A165 HydrophobicContact CG2-CB 4.15Å
104T89.5Confident91.1Very high9 Ų961.8 Ų61.86%0.05532%0.32CS..THydrogen-bonded Turntrans-86.3-3.1-178.867.50000113.3H46 V100 I106 L109 V121 F163H46-T104 PolarHBondContact NE2-O 2.94Å; H46-T104 VanDerWaalsContact NE2-O 3.15Å; V100-T104 HydrophobicContact CG1-CG2 4.12Å; V100-T104 WeakPolarHBondContact O-CG2 3.22Å; V100-T104 PolarHBondContact O-N 2.88Å; V100-T104 PolarHBondContact O-OG1 3.42Å; T104-I106 WeakPolarHBondContact O-CG1 3.39Å; T104-I106 PolarHBondContact O-N 3.2Å; T104-L109 WeakPolarHBondContact OG1-CD1 3.38Å; T104-V121 HydrophobicContact CG2-CG1 3.98Å; T104-F163 WeakPolarHBondContact O-CD1 3.47Å
105E89.4Confident90.9Very high102 Ų10265.6 Ų65.648%0.47735%0.346SS..THydrogen-bonded Turntrans51.438.9-175.2-48.9-173.4178.200113.9A101 T102 I103 P107 F163A101-E105 CarbonylContact O-C 3.54Å; A101-E105 VanDerWaalsContact O-CA 3.32Å; A101-E105 WeakPolarHBondContact O-CA 3.35Å; A101-E105 PolarHBondContact O-N 3.43Å; T102-E105 PolarHBondContact O-N 2.69Å; I103-E105 VanDerWaalsContact C-N 3.31Å; E105-P107 WeakPolarHBondContact O-CD 3.4Å; E105-F163 HydrophobicContact CB-CD1 4.39Å; E105-F163 HydrophobicContact CB-CE1 3.87Å; E105-F163 HydrophobicContact CG-CD1 4.35Å; E105-F163 HydrophobicContact CG-CE1 3.95Å
106I85.1Confident90.6Very high44 Ų4462.9 Ų62.923%0.22634%0.337CS..  trans-118.385.2175.9-58.4160.2000108H46 A101 T104 P108 L109H46-I106 WeakPolarHBondContact CD2-CG1 3.32Å; A101-I106 WeakPolarHBondContact CB-O 3.2Å; A101-I106 PolarHBondContact O-N 3.03Å; T104-I106 WeakPolarHBondContact O-CG1 3.39Å; T104-I106 PolarHBondContact O-N 3.2Å; I106-P108 VanDerWaalsContact C-N 3.28Å; I106-L109 HydrophobicContact CB-CD1 3.92Å; I106-L109 HydrophobicContact CB-CG 3.81Å; I106-L109 HydrophobicContact CD1-CD1 4.29Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 HydrophobicContact CG2-CD2 4.18Å; I106-L109 HydrophobicContact CG2-CG 3.68Å; I106-L109 WeakPolarHBondContact O-CB 3.48Å; I106-L109 WeakPolarHBondContact O-CG 3.34Å; I106-L109 PolarHBondContact O-N 2.78Å
107P85.7Confident90.4Very high98 Ų9854.1 Ų54.164%0.63630%0.304SS*.G310 helixtrans-52.1-36.8-179.9-2532.2000114.8E105 L109 V110E105-P107 WeakPolarHBondContact O-CD 3.4Å; P107-L109 PolarHBondContact O-N 2.84Å; P107-V110 WeakPolarHBondContact O-CG2 3.46Å; P107-V110 PolarHBondContact O-N 3.46Å
108P84.8Confident90.4Very high56 Ų5655.9 Ų55.936%0.36431%0.311SS..G310 helixtrans-58.4-19.2176.1-28.336.6000115.5I106 V110 I111I106-P108 VanDerWaalsContact C-N 3.28Å; P108-V110 PolarHBondContact O-N 3.01Å; P108-I111 WeakPolarHBondContact O-CG1 3.28Å; P108-I111 PolarHBondContact O-N 3.36Å
109L84.9Confident90.2Very high4 Ų454.2 Ų54.22%0.02131%0.305CS..G310 helixtrans-64.2-22.8177.7-63.6-177.3000113.1V100 A101 T104 I106 P107 I111 L112 V117 V121V100-L109 HydrophobicContact CG1-CD1 4.22Å; A101-L109 HydrophobicContact CB-CB 3.89Å; T104-L109 WeakPolarHBondContact OG1-CD1 3.38Å; I106-L109 HydrophobicContact CB-CD1 3.92Å; I106-L109 HydrophobicContact CB-CG 3.81Å; I106-L109 HydrophobicContact CD1-CD1 4.29Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 HydrophobicContact CG2-CD2 4.18Å; I106-L109 HydrophobicContact CG2-CG 3.68Å; I106-L109 WeakPolarHBondContact O-CB 3.48Å; I106-L109 WeakPolarHBondContact O-CG 3.34Å; I106-L109 PolarHBondContact O-N 2.78Å; P107-L109 PolarHBondContact O-N 2.84Å; L109-I111 VanDerWaalsContact C-N 3.27Å; L109-I111 PolarHBondContact O-N 2.93Å; L109-L112 HydrophobicContact CD2-CD1 3.57Å; L109-L112 PolarHBondContact O-N 2.9Å; L109-V117 HydrophobicContact CB-CG2 4.39Å; L109-V121 HydrophobicContact CD1-CG1 4.43Å; L109-V121 HydrophobicContact CD1-CG2 4.09Å; L109-V121 HydrophobicContact CD2-CG2 4.05Å
110V88.1Confident89.9Confident70 Ų7057.9 Ų57.942%0.42432%0.315SS..G310 helixtrans-61.3-36.2-179.1-179.40000111.9F98 A101 P107 P108F98-V110 HydrophobicContact CD2-CG2 4.18Å; A101-V110 HydrophobicContact CB-CG2 3.52Å; P107-V110 WeakPolarHBondContact O-CG2 3.46Å; P107-V110 PolarHBondContact O-N 3.46Å; P108-V110 PolarHBondContact O-N 3.01Å
111I88.6Confident89.8Confident146 Ų14658 Ų5875%0.74932%0.316SS*.G310 helixtrans-88.5-4.2-175.859.6164.1000113.2P108 L109P108-I111 WeakPolarHBondContact O-CG1 3.28Å; P108-I111 PolarHBondContact O-N 3.36Å; L109-I111 VanDerWaalsContact C-N 3.27Å; L109-I111 PolarHBondContact O-N 2.93Å
112L86.4Confident89.9Confident31 Ų3157.8 Ų57.816%0.16231%0.314CS..SBendtrans-82.8148.6-178.8-60.2-179.2000112F39 L109 N114 V117F39-L112 HydrophobicContact CD1-CD1 4.17Å; F39-L112 HydrophobicContact CD2-CD1 4.18Å; F39-L112 HydrophobicContact CE1-CD1 3.44Å; F39-L112 VanDerWaalsContact CE1-CD1 3.44Å; F39-L112 HydrophobicContact CE1-CD2 3.78Å; F39-L112 HydrophobicContact CE1-CG 4.16Å; F39-L112 HydrophobicContact CE2-CD1 3.46Å; F39-L112 VanDerWaalsContact CE2-CD1 3.46Å; F39-L112 HydrophobicContact CE2-CD2 4.26Å; F39-L112 HydrophobicContact CE2-CG 4.46Å; F39-L112 HydrophobicContact CZ-CD1 3.12Å; F39-L112 HydrophobicContact CZ-CD2 3.3Å; F39-L112 HydrophobicContact CZ-CG 3.8Å; L109-L112 HydrophobicContact CD2-CD1 3.57Å; L109-L112 PolarHBondContact O-N 2.9Å; L112-N114 PolarHBondContact O-N 3.29Å; L112-V117 HydrophobicContact CB-CG2 3.87Å; L112-V117 HydrophobicContact CD1-CG2 4.32Å
113P91.1Very high90Very high72 Ų7258.4 Ų58.447%0.46831%0.306SS..  trans-50125.9165.9-2633.7000110.5C115 L116 V117P113-C115 PolarHBondContact O-N 3.47Å; P113-C115 VanDerWaalsContact O-N 3.16Å; P113-L116 HydrophobicContact CB-CD1 4.31Å; P113-L116 HydrophobicContact CB-CG 4.31Å; P113-L116 HydrophobicContact CG-CD1 4.1Å; P113-L116 WeakPolarHBondContact O-CB 3.34Å; P113-L116 PolarHBondContact O-N 3.42Å; P113-V117 PolarHBondContact O-N 2.94Å
114N92Very high90.1Very high63 Ų6358.2 Ų58.234%0.33731%0.306SS..Hα-helixtrans-56.5-37.4-173.9179.9-104.1000112.7K95 S97 L112 L116 V117 Q118K95-N114 PolarHBondContact O-ND2 2.95Å; K95-N114 PolarHBondContact O-OD1 3.24Å; S97-N114 PolarHBondContact N-ND2 3.37Å; S97-N114 PolarHBondContact OG-ND2 3.27Å; L112-N114 PolarHBondContact O-N 3.29Å; N114-L116 PolarHBondContact O-N 3.39Å; N114-V117 WeakPolarHBondContact O-CB 3.47Å; N114-V117 PolarHBondContact O-N 2.97Å; N114-Q118 WeakPolarHBondContact O-CG 3.47Å; N114-Q118 PolarHBondContact O-N 3.29Å
115C92.4Very high90.4Very high84 Ų8458.2 Ų58.257%0.56831%0.305SS*.Hα-helixtrans-55.1-37.5174.957.60000113.1P113 Q119P113-C115 PolarHBondContact O-N 3.47Å; P113-C115 VanDerWaalsContact O-N 3.16Å; C115-Q119 VanDerWaalsContact O-CB 3.25Å; C115-Q119 WeakPolarHBondContact O-CB 3.25Å; C115-Q119 PolarHBondContact O-N 3.11Å
116L90.6Very high90.7Very high63 Ų6355.2 Ų55.233%0.3329%0.29SS..Hα-helixtrans-70.6-39.4176-67.2179.2000111.4P113 N114 Q119 R120P113-L116 HydrophobicContact CB-CD1 4.31Å; P113-L116 HydrophobicContact CB-CG 4.31Å; P113-L116 HydrophobicContact CG-CD1 4.1Å; P113-L116 WeakPolarHBondContact O-CB 3.34Å; P113-L116 PolarHBondContact O-N 3.42Å; N114-L116 PolarHBondContact O-N 3.39Å; L116-Q119 PolarHBondContact O-N 3.34Å; L116-R120 WeakPolarHBondContact O-CA 3.49Å; L116-R120 WeakPolarHBondContact O-CB 3.27Å; L116-R120 WeakPolarHBondContact O-CG 3.19Å; L116-R120 PolarHBondContact O-N 2.75Å
117V90.8Very high91.4Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-62.2-45.8175.1-179.90000110.4V100 L109 L112 P113 N114 Q119 V121 L122V100-V117 HydrophobicContact CB-CG1 3.85Å; V100-V117 HydrophobicContact CG1-CG1 3.65Å; V100-V117 HydrophobicContact CG2-CG1 4.09Å; L109-V117 HydrophobicContact CB-CG2 4.39Å; L112-V117 HydrophobicContact CB-CG2 3.87Å; L112-V117 HydrophobicContact CD1-CG2 4.32Å; P113-V117 PolarHBondContact O-N 2.94Å; N114-V117 WeakPolarHBondContact O-CB 3.47Å; N114-V117 PolarHBondContact O-N 2.97Å; V117-Q119 PolarHBondContact O-N 2.83Å; V117-V121 VanDerWaalsContact O-CB 3.29Å; V117-V121 WeakPolarHBondContact O-CB 3.43Å; V117-V121 PolarHBondContact O-N 2.95Å; V117-L122 PolarHBondContact O-N 3.35Å
118Q93.3Very high91.9Very high49 Ų4948.8 Ų48.823%0.22925%0.25CS..Iπ-helixtrans-59.6-48.5176.1-62.2-58-47.700111.2L94 N114 L122 R123L94-Q118 PolarHBondContact O-NE2 3.12Å; N114-Q118 WeakPolarHBondContact O-CG 3.47Å; N114-Q118 PolarHBondContact O-N 3.29Å; Q118-L122 PolarHBondContact O-N 3.29Å; Q118-L122 VanDerWaalsContact OE1-CD1 3.27Å; Q118-R123 PolarHBondContact O-N 3.4Å
119Q91.9Very high92.6Very high103 Ų10346.1 Ų46.148%0.48123%0.233SC..Iπ-helixtrans-77.5-37.2-173.4-171.9-179.27.400114.1C115 L116 V117 P124C115-Q119 VanDerWaalsContact O-CB 3.25Å; C115-Q119 WeakPolarHBondContact O-CB 3.25Å; C115-Q119 PolarHBondContact O-N 3.11Å; L116-Q119 PolarHBondContact O-N 3.34Å; V117-Q119 PolarHBondContact O-N 2.83Å; Q119-P124 WeakPolarHBondContact O-CD 3.49Å
120R89.9Confident93.2Very high115 Ų11545.9 Ų45.943%0.43423%0.232SC..Iπ-helixtrans-98.5-17.1-172.5-61.3-60.7-166.5114.8-3.6113.8I37 L116 P124I37-R120 WeakPolarHBondContact CG2-O 3.43Å; L116-R120 WeakPolarHBondContact O-CA 3.49Å; L116-R120 WeakPolarHBondContact O-CB 3.27Å; L116-R120 WeakPolarHBondContact O-CG 3.19Å; L116-R120 PolarHBondContact O-N 2.75Å; R120-P124 WeakPolarHBondContact O-CG 3.12Å
121V90.8Very high93.7Very high4 Ų442.6 Ų42.62%0.02421%0.212CC..Iπ-helixtrans-116-61.9179.9-174.80000110.4I37 V100 T104 L109 V117 P124 L125I37-V121 HydrophobicContact CG2-CG2 4.34Å; V100-V121 HydrophobicContact CG1-CG1 4.1Å; T104-V121 HydrophobicContact CG2-CG1 3.98Å; L109-V121 HydrophobicContact CD1-CG1 4.43Å; L109-V121 HydrophobicContact CD1-CG2 4.09Å; L109-V121 HydrophobicContact CD2-CG2 4.05Å; V117-V121 VanDerWaalsContact O-CB 3.29Å; V117-V121 WeakPolarHBondContact O-CB 3.43Å; V117-V121 PolarHBondContact O-N 2.95Å; V121-P124 WeakPolarHBondContact O-CD 3.33Å; V121-L125 HydrophobicContact CG1-CD1 4.36Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 2.98Å
122L94.9Very high94.2Very high1 Ų135.6 Ų35.61%0.00518%0.176CC..Iπ-helixtrans-70.7-39-172.4-70.4-178.3000113.3L94 V100 V117 Q118 L125 R126 A165 Y166L94-L122 HydrophobicContact CB-CD1 4.05Å; L94-L122 WeakPolarHBondContact O-CD1 3.22Å; V100-L122 HydrophobicContact CG1-CD2 4.04Å; V100-L122 HydrophobicContact CG1-CG 4.2Å; V100-L122 HydrophobicContact CG2-CD1 3.73Å; V100-L122 HydrophobicContact CG2-CD2 4.21Å; V100-L122 HydrophobicContact CG2-CG 4.13Å; V117-L122 PolarHBondContact O-N 3.35Å; Q118-L122 PolarHBondContact O-N 3.29Å; Q118-L122 VanDerWaalsContact OE1-CD1 3.27Å; L122-L125 HydrophobicContact CD2-CD1 4.42Å; L122-L125 PolarHBondContact O-N 3.1Å; L122-R126 WeakPolarHBondContact O-CG 3.38Å; L122-R126 PolarHBondContact O-N 2.99Å; L122-A165 HydrophobicContact CD2-CB 3.93Å; L122-Y166 HydrophobicContact CD2-CE2 4.15Å
123R95.9Very high94.8Very high101 Ų10134.1 Ų34.138%0.38117%0.168SC..Hα-helixtrans-60.2-50177.4177.2172-167-147.6-6.3112.6E76 Q118 L125 R126 T127E76-R123 IonicContact OE2-CZ 2.9Å; E76-R123 IonicContact OE2-NE 2.74Å; E76-R123 PolarHBondContact OE2-NE 3Å; E76-R123 IonicContact OE2-NH2 3.93Å; Q118-R123 PolarHBondContact O-N 3.4Å; R123-L125 VanDerWaalsContact C-N 3.26Å; R123-L125 PolarHBondContact O-N 2.82Å; R123-R126 WeakPolarHBondContact O-CB 3.42Å; R123-R126 PolarHBondContact O-N 3.39Å; R123-T127 PolarHBondContact O-N 3.25Å; R123-T127 PolarHBondContact O-OG1 2.78Å
124P95.2Very high95.2Very high7 Ų731 Ų315%0.04515%0.147CC..Hα-helixtrans-50.4-41.6169.9-34.538.9000114.7D34 I37 Q119 R120 V121 T127 Q128D34-P124 WeakPolarHBondContact O-CB 3.38Å; D34-P124 VanDerWaalsContact O-CG 3.29Å; D34-P124 WeakPolarHBondContact O-CG 3.36Å; I37-P124 HydrophobicContact CD1-CB 4.32Å; I37-P124 HydrophobicContact CG1-CB 3.66Å; I37-P124 HydrophobicContact CG1-CG 4.05Å; Q119-P124 WeakPolarHBondContact O-CD 3.49Å; R120-P124 WeakPolarHBondContact O-CG 3.12Å; V121-P124 WeakPolarHBondContact O-CD 3.33Å; P124-T127 PolarHBondContact O-N 3.42Å; P124-Q128 WeakPolarHBondContact O-CG 3.45Å; P124-Q128 PolarHBondContact O-N 3.47Å
125L95.8Very high95.5Very high9 Ų928 Ų285%0.04713%0.131CC..Hα-helixtrans-69.7-35.8177.7-61.5173.8000111.9I37 V121 L122 R123 Q128 T129 F152 A165 Y166I37-L125 HydrophobicContact CD1-CD2 4.02Å; I37-L125 HydrophobicContact CD1-CG 4.18Å; V121-L125 HydrophobicContact CG1-CD1 4.36Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 2.98Å; L122-L125 HydrophobicContact CD2-CD1 4.42Å; L122-L125 PolarHBondContact O-N 3.1Å; R123-L125 VanDerWaalsContact C-N 3.26Å; R123-L125 PolarHBondContact O-N 2.82Å; L125-Q128 PolarHBondContact O-N 2.85Å; L125-T129 WeakPolarHBondContact O-CB 3.43Å; L125-T129 PolarHBondContact O-N 3.33Å; L125-T129 PolarHBondContact O-OG1 3.27Å; L125-F152 HydrophobicContact CB-CE2 4.18Å; L125-F152 HydrophobicContact CB-CZ 4.38Å; L125-F152 HydrophobicContact CD2-CE1 3.88Å; L125-F152 HydrophobicContact CD2-CE2 3.97Å; L125-F152 HydrophobicContact CD2-CZ 3.37Å; L125-F152 HydrophobicContact CG-CZ 4.46Å; L125-A165 HydrophobicContact CD1-CB 3.76Å; L125-Y166 HydrophobicContact CB-CD2 3.76Å; L125-Y166 HydrophobicContact CB-CE2 3.84Å
126R97.5Very high95.8Very high40 Ų4024 Ų2415%0.15110%0.104CC..Hα-helixtrans-66.2-38.2171.9-69.1177.2107131.6-1.1112.1E76 A77 E79 L82 L122 R123 T129 G130 Y166E76-R126 HydrophobicContact CG-CB 3.78Å; A77-R126 PolarHBondContact N-O 3.32Å; A77-R126 PolarHBondContact O-NE 3.25Å; A77-R126 VanDerWaalsContact O-NE 3.14Å; E79-R126 VanDerWaalsContact CA-NH2 3.3Å; L82-R126 HydrophobicContact CD1-CG 4.31Å; L82-R126 VanDerWaalsContact CD1-NH2 3.35Å; L122-R126 WeakPolarHBondContact O-CG 3.38Å; L122-R126 PolarHBondContact O-N 2.99Å; R123-R126 WeakPolarHBondContact O-CB 3.42Å; R123-R126 PolarHBondContact O-N 3.39Å; R126-T129 WeakPolarHBondContact O-CB 3.35Å; R126-T129 PolarHBondContact O-N 3.31Å; R126-G130 PolarHBondContact O-N 3.38Å; R126-Y166 HydrophobicContact CB-CE2 4.46Å; R126-Y166 HydrophobicContact CG-CD2 4.15Å; R126-Y166 HydrophobicContact CG-CE1 4.29Å; R126-Y166 HydrophobicContact CG-CE2 3.46Å; R126-Y166 VanDerWaalsContact CG-CE2 3.46Å
127T98Very high96.2Very high4 Ų422.4 Ų22.43%0.02510%0.095CC..Hα-helixtrans-67.7-41.2175.7-45.20000111.4H32 Y35 A74 R123 P124 T129 G130 G131H32-T127 HydrophobicContact CB-CG2 3.77Å; Y35-T127 HydrophobicContact CD1-CG2 4.19Å; Y35-T127 HydrophobicContact CE1-CG2 3.87Å; A74-T127 HydrophobicContact CB-CG2 4.18Å; R123-T127 PolarHBondContact O-N 3.25Å; R123-T127 PolarHBondContact O-OG1 2.78Å; P124-T127 PolarHBondContact O-N 3.42Å; T127-T129 VanDerWaalsContact C-N 3.3Å; T127-T129 PolarHBondContact O-N 3.31Å; T127-G130 PolarHBondContact O-N 2.86Å; T127-G131 PolarHBondContact O-N 3.22Å
128Q97.9Very high96.5Very high2 Ų222.4 Ų22.41%0.00910%0.095CC..Hα-helixtrans-60.4-41.4171.2-76177.476.900111.8Y35 P124 L125 G131 T132 N147 G150 F152Y35-Q128 HydrophobicContact CD1-CG 3.62Å; Y35-Q128 HydrophobicContact CD2-CG 3.65Å; Y35-Q128 HydrophobicContact CE1-CB 4.34Å; Y35-Q128 HydrophobicContact CE1-CG 3.74Å; Y35-Q128 HydrophobicContact CE2-CG 3.79Å; Y35-Q128 HydrophobicContact CG-CG 3.57Å; Y35-Q128 PolarHBondContact O-NE2 3.17Å; P124-Q128 WeakPolarHBondContact O-CG 3.45Å; P124-Q128 PolarHBondContact O-N 3.47Å; L125-Q128 PolarHBondContact O-N 2.85Å; Q128-G131 WeakPolarHBondContact O-CA 3.39Å; Q128-G131 PolarHBondContact O-N 2.75Å; Q128-T132 PolarHBondContact O-N 2.88Å; Q128-T132 PolarHBondContact O-OG1 3.33Å; Q128-N147 PolarHBondContact O-ND2 2.85Å; Q128-G150 VanDerWaalsContact OE1-N 3.08Å; Q128-F152 HydrophobicContact CB-CE2 3.95Å; Q128-F152 HydrophobicContact CB-CZ 3.78Å; Q128-F152 HydrophobicContact CG-CZ 4.4Å
129T98.6Very high96.8Very high0 Ų020.1 Ų20.10%08%0.084CC..Hα-helixtrans-60.5-48.6176.4-59.50000112.1A77 L82 L125 R126 T127 G131 T132 I133 Y166 D168 L171A77-T129 HydrophobicContact CB-CG2 4.26Å; L82-T129 HydrophobicContact CD2-CG2 3.99Å; L125-T129 WeakPolarHBondContact O-CB 3.43Å; L125-T129 PolarHBondContact O-N 3.33Å; L125-T129 PolarHBondContact O-OG1 3.27Å; R126-T129 WeakPolarHBondContact O-CB 3.35Å; R126-T129 PolarHBondContact O-N 3.31Å; T127-T129 VanDerWaalsContact C-N 3.3Å; T127-T129 PolarHBondContact O-N 3.31Å; T129-G131 VanDerWaalsContact C-N 3.25Å; T129-G131 PolarHBondContact O-N 2.84Å; T129-T132 PolarHBondContact O-N 3.19Å; T129-I133 HydrophobicContact CG2-CD1 4.26Å; T129-I133 WeakPolarHBondContact O-CG1 3.42Å; T129-I133 PolarHBondContact O-N 2.91Å; T129-I133 VanDerWaalsContact O-N 3.08Å; T129-Y166 WeakPolarHBondContact OG1-CB 3.5Å; T129-D168 HydrophobicContact CG2-CB 3.86Å; T129-L171 HydrophobicContact CG2-CD1 3.53Å
130G98.6Very high97.1Very high0 Ų016.9 Ų16.90%07%0.071CC..Hα-helixtrans-63.9-32.1175.300000112.7R75 R126 T127 I133 M134R75-G130 WeakPolarHBondContact O-CA 3.36Å; R126-G130 PolarHBondContact O-N 3.38Å; T127-G130 PolarHBondContact O-N 2.86Å; G130-I133 PolarHBondContact O-N 3.26Å; G130-M134 WeakPolarHBondContact O-CB 3.18Å; G130-M134 PolarHBondContact O-N 2.83Å
131G98.6Very high97.4Very high0 Ų016.6 Ų16.60%08%0.075CC..Hα-helixtrans-62.3-43.6170.300000113.5Y35 T127 Q128 T129 I133 M134 A135Y35-G131 WeakPolarHBondContact OH-CA 3.07Å; T127-G131 PolarHBondContact O-N 3.22Å; Q128-G131 WeakPolarHBondContact O-CA 3.39Å; Q128-G131 PolarHBondContact O-N 2.75Å; T129-G131 VanDerWaalsContact C-N 3.25Å; T129-G131 PolarHBondContact O-N 2.84Å; G131-I133 VanDerWaalsContact C-N 3.35Å; G131-M134 PolarHBondContact O-N 3.31Å; G131-A135 VanDerWaalsContact O-CB 3.23Å; G131-A135 WeakPolarHBondContact O-CB 3.18Å; G131-A135 PolarHBondContact O-N 2.77Å
132T98.9Very high97.7Very high0 Ų019.5 Ų19.50%09%0.085CC..Hα-helixtrans-63.7-41.9176.3-58.10000110.9Q128 T129 A135 G136 N147 D168 A172 L308 V310Q128-T132 PolarHBondContact O-N 2.88Å; Q128-T132 PolarHBondContact O-OG1 3.33Å; T129-T132 PolarHBondContact O-N 3.19Å; T132-A135 PolarHBondContact O-N 3.37Å; T132-G136 PolarHBondContact O-N 3.46Å; T132-N147 PolarHBondContact N-ND2 2.75Å; T132-N147 VanDerWaalsContact N-ND2 3.11Å; T132-N147 PolarHBondContact OG1-ND2 3.28Å; T132-D168 WeakPolarHBondContact CB-OD2 3.41Å; T132-D168 HydrophobicContact CG2-CB 4.3Å; T132-D168 PolarHBondContact OG1-OD2 3.43Å; T132-A172 HydrophobicContact CG2-CB 3.9Å; T132-L308 HydrophobicContact CG2-CD2 4.11Å; T132-V310 HydrophobicContact CG2-CG1 3.73Å
133I98.8Very high97.8Very high0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-61.1-49.7175.5-67.7164.2000110.9L18 Y19 T129 G130 G131 G136 K137 L171 A172 F175L18-I133 HydrophobicContact CB-CG2 4.27Å; L18-I133 HydrophobicContact CD1-CB 4.24Å; L18-I133 HydrophobicContact CD1-CD1 3.55Å; L18-I133 HydrophobicContact CD1-CG2 4.01Å; Y19-I133 HydrophobicContact CD1-CG2 4.2Å; Y19-I133 HydrophobicContact CE1-CG2 3.49Å; Y19-I133 VanDerWaalsContact CE1-CG2 3.49Å; Y19-I133 WeakPolarHBondContact CE1-O 3.48Å; T129-I133 HydrophobicContact CG2-CD1 4.26Å; T129-I133 WeakPolarHBondContact O-CG1 3.42Å; T129-I133 PolarHBondContact O-N 2.91Å; T129-I133 VanDerWaalsContact O-N 3.08Å; G130-I133 PolarHBondContact O-N 3.26Å; G131-I133 VanDerWaalsContact C-N 3.35Å; I133-G136 PolarHBondContact O-N 3.27Å; I133-K137 PolarHBondContact O-N 3.18Å; I133-L171 HydrophobicContact CD1-CB 4.05Å; I133-L171 HydrophobicContact CG1-CB 4.24Å; I133-A172 HydrophobicContact CG1-CB 4.36Å; I133-F175 HydrophobicContact CD1-CD2 4.26Å; I133-F175 HydrophobicContact CD1-CE2 4.11Å; I133-F175 HydrophobicContact CD1-CZ 4.31Å; I133-F175 HydrophobicContact CG2-CB 4.13Å; I133-F175 HydrophobicContact CG2-CD1 3.63Å; I133-F175 HydrophobicContact CG2-CE1 4.14Å; I133-F175 HydrophobicContact CG2-CG 3.89Å
134M98.6Very high97.9Very high5 Ų517.3 Ų17.33%0.0259%0.088CC..Hα-helixtrans-61.2-45.7176.7172.95588.900111.9L18 G20 I22 V30 V72 G130 G131 G136 K137 L138L18-M134 WeakPolarHBondContact O-CE 3.36Å; G20-M134 WeakPolarHBondContact O-CE 3.45Å; I22-M134 HydrophobicContact CD1-CE 4Å; I22-M134 HydrophobicContact CG1-CE 3.93Å; I22-M134 HydrophobicContact CG1-SD 4.13Å; V30-M134 HydrophobicContact CG2-CG 4.39Å; V72-M134 HydrophobicContact CG1-CG 4.11Å; G130-M134 WeakPolarHBondContact O-CB 3.18Å; G130-M134 PolarHBondContact O-N 2.83Å; G131-M134 PolarHBondContact O-N 3.31Å; M134-G136 VanDerWaalsContact C-N 3.26Å; M134-G136 PolarHBondContact O-N 3.03Å; M134-K137 PolarHBondContact O-N 2.98Å; M134-K137 VanDerWaalsContact O-N 3.13Å; M134-L138 HydrophobicContact CG-CD1 3.89Å; M134-L138 HydrophobicContact CG-CG 4.35Å; M134-L138 WeakPolarHBondContact O-CG 3.49Å; M134-L138 PolarHBondContact O-N 2.89Å; M134-L138 HydrophobicContact SD-CD1 4.03Å; M134-L138 HydrophobicContact SD-CD2 4.49Å; M134-L138 HydrophobicContact SD-CG 3.93Å
135A98.8Very high98.1Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-60.2-38.2178.400000111.1V30 G131 T132 K137 L138 A139 A145 N147 L308V30-A135 HydrophobicContact CB-CB 4.36Å; V30-A135 HydrophobicContact CG2-CB 3.78Å; G131-A135 VanDerWaalsContact O-CB 3.23Å; G131-A135 WeakPolarHBondContact O-CB 3.18Å; G131-A135 PolarHBondContact O-N 2.77Å; T132-A135 PolarHBondContact O-N 3.37Å; A135-K137 PolarHBondContact O-N 2.98Å; A135-L138 PolarHBondContact O-N 3Å; A135-A139 WeakPolarHBondContact O-CB 3.28Å; A135-A139 PolarHBondContact O-N 3.48Å; A135-A145 HydrophobicContact CB-CB 4Å; A135-A145 WeakPolarHBondContact O-CB 3.33Å; A135-N147 HydrophobicContact CB-CB 4Å; A135-L308 HydrophobicContact CB-CD1 3.31Å
136G98.6Very high98.3Very high0 Ų016.6 Ų16.60%08%0.084CC..Hα-helixtrans-56.4-47.4172.800000112.9T132 I133 M134 A139 V140T132-G136 PolarHBondContact O-N 3.46Å; I133-G136 PolarHBondContact O-N 3.27Å; M134-G136 VanDerWaalsContact C-N 3.26Å; M134-G136 PolarHBondContact O-N 3.03Å; G136-A139 PolarHBondContact O-N 2.89Å; G136-V140 PolarHBondContact O-N 3.01Å
137K98.2Very high98.3Very high31 Ų3114.7 Ų14.714%0.1358%0.077CC..Hα-helixtrans-61.7-46.3175.6174.2171.6-179.8-71.30111.8Y19 I133 M134 A135 A139 V140 E141Y19-K137 HydrophobicContact CD1-CB 4.02Å; Y19-K137 HydrophobicContact CD1-CD 3.47Å; Y19-K137 VanDerWaalsContact CD1-CD 3.47Å; Y19-K137 HydrophobicContact CD1-CG 4.41Å; Y19-K137 HydrophobicContact CD2-CD 3.67Å; Y19-K137 HydrophobicContact CE1-CB 3.59Å; Y19-K137 HydrophobicContact CE1-CD 3.85Å; Y19-K137 HydrophobicContact CE1-CG 4.36Å; Y19-K137 HydrophobicContact CE2-CD 4.04Å; Y19-K137 HydrophobicContact CG-CD 3.36Å; I133-K137 PolarHBondContact O-N 3.18Å; M134-K137 PolarHBondContact O-N 2.98Å; M134-K137 VanDerWaalsContact O-N 3.13Å; A135-K137 PolarHBondContact O-N 2.98Å; K137-A139 VanDerWaalsContact C-N 3.3Å; K137-A139 PolarHBondContact O-N 2.53Å; K137-V140 PolarHBondContact O-N 3.48Å; K137-E141 WeakPolarHBondContact CE-OE1 3.49Å; K137-E141 HydrophobicContact CG-CG 4.43Å; K137-E141 IonicContact NZ-OE1 2.8Å; K137-E141 PolarHBondContact NZ-OE1 3.17Å; K137-E141 IonicContact NZ-OE2 3.69Å; K137-E141 PolarHBondContact NZ-OE2 3.19Å; K137-E141 WeakPolarHBondContact O-CG 3.31Å; K137-E141 PolarHBondContact O-N 3.38Å
138L98.4Very high98.2Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-63.3-35.8178.7-69.7171.2000112.5I22 P28 V30 V72 M134 A135 E141 R142 A145I22-L138 HydrophobicContact CB-CD2 4.15Å; I22-L138 HydrophobicContact CG1-CD2 4.18Å; I22-L138 HydrophobicContact CG2-CD2 4.38Å; P28-L138 HydrophobicContact CB-CB 4Å; P28-L138 HydrophobicContact CB-CD1 4.38Å; V30-L138 HydrophobicContact CG2-CD1 3.85Å; V72-L138 HydrophobicContact CB-CD1 4.29Å; V72-L138 HydrophobicContact CG1-CD1 4.06Å; V72-L138 HydrophobicContact CG2-CD1 3.89Å; M134-L138 HydrophobicContact CG-CD1 3.89Å; M134-L138 HydrophobicContact CG-CG 4.35Å; M134-L138 WeakPolarHBondContact O-CG 3.49Å; M134-L138 PolarHBondContact O-N 2.89Å; M134-L138 HydrophobicContact SD-CD1 4.03Å; M134-L138 HydrophobicContact SD-CD2 4.49Å; M134-L138 HydrophobicContact SD-CG 3.93Å; A135-L138 PolarHBondContact O-N 3Å; L138-E141 PolarHBondContact O-N 3.32Å; L138-R142 WeakPolarHBondContact O-CA 3.42Å; L138-R142 VanDerWaalsContact O-CB 3.23Å; L138-R142 WeakPolarHBondContact O-CB 3.37Å; L138-R142 PolarHBondContact O-N 2.68Å; L138-A145 HydrophobicContact CB-CB 3.95Å
139A98.6Very high98.1Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-61-46.417600000110.7A135 G136 K137 G143 W144 A145 I264 P306 I307 L308A135-A139 WeakPolarHBondContact O-CB 3.28Å; A135-A139 PolarHBondContact O-N 3.48Å; G136-A139 PolarHBondContact O-N 2.89Å; K137-A139 VanDerWaalsContact C-N 3.3Å; K137-A139 PolarHBondContact O-N 2.53Å; A139-G143 CarbonylContact O-C 3.51Å; A139-G143 VanDerWaalsContact O-C 3.28Å; A139-G143 WeakPolarHBondContact O-CA 3.43Å; A139-G143 PolarHBondContact O-N 3.14Å; A139-W144 PolarHBondContact O-N 2.93Å; A139-A145 HydrophobicContact CB-CB 3.9Å; A139-I264 HydrophobicContact CB-CD1 4.15Å; A139-P306 WeakPolarHBondContact O-CB 3.3Å; A139-I307 WeakPolarHBondContact CB-O 3.43Å; A139-L308 HydrophobicContact CB-CB 4.13Å
140V98.3Very high97.9Very high36 Ų3614.4 Ų14.422%0.2188%0.075CC..Hα-helixtrans-61.4-46.9175.2177.30000111.2G136 K137 R142 L176 V180 I183 I264G136-V140 PolarHBondContact O-N 3.01Å; K137-V140 PolarHBondContact O-N 3.48Å; V140-R142 PolarHBondContact O-N 3.39Å; V140-L176 HydrophobicContact CG2-CD2 3.99Å; V140-V180 HydrophobicContact CG1-CG1 3.98Å; V140-I183 HydrophobicContact CG1-CD1 3.8Å; V140-I183 HydrophobicContact CG1-CG1 4.11Å; V140-I183 HydrophobicContact CG2-CD1 3.91Å; V140-I183 HydrophobicContact CG2-CG1 4.06Å; V140-I264 HydrophobicContact CG2-CD1 3.96Å
141E96.4Very high97.9Very high108 Ų10814.4 Ų14.451%0.5058%0.075SC..Hα-helixtrans-69.4-32.1-176.5-71.9176170.100113.5K137 L138K137-E141 WeakPolarHBondContact CE-OE1 3.49Å; K137-E141 HydrophobicContact CG-CG 4.43Å; K137-E141 IonicContact NZ-OE1 2.8Å; K137-E141 PolarHBondContact NZ-OE1 3.17Å; K137-E141 IonicContact NZ-OE2 3.69Å; K137-E141 PolarHBondContact NZ-OE2 3.19Å; K137-E141 WeakPolarHBondContact O-CG 3.31Å; K137-E141 PolarHBondContact O-N 3.38Å; L138-E141 PolarHBondContact O-N 3.32Å
142R96.7Very high97.8Very high66 Ų6615.2 Ų15.225%0.2498%0.079CC..Hα-helixtrans-122.7-0.6-166.6-55.8175.5178.6-158.6-5.9113.6I22 P23 C26 P28 L138 V140 W144I22-R142 PolarHBondContact O-NH2 2.6Å; P23-R142 PolarHBondContact O-NH2 3.23Å; C26-R142 PolarHBondContact O-NH1 2.83Å; P28-R142 HydrophobicContact CG-CB 4.49Å; L138-R142 WeakPolarHBondContact O-CA 3.42Å; L138-R142 VanDerWaalsContact O-CB 3.23Å; L138-R142 WeakPolarHBondContact O-CB 3.37Å; L138-R142 PolarHBondContact O-N 2.68Å; V140-R142 PolarHBondContact O-N 3.39Å; R142-W144 VanDerWaalsContact C-N 3.25Å; R142-W144 PolarHBondContact O-N 2.94Å
143G97.9Very high97.8Very high36 Ų3615.4 Ų15.437%0.3718%0.08SC..SBendtrans83.4-16.5-179.100000114.8A139 P306 I307A139-G143 CarbonylContact O-C 3.51Å; A139-G143 VanDerWaalsContact O-C 3.28Å; A139-G143 WeakPolarHBondContact O-CA 3.43Å; A139-G143 PolarHBondContact O-N 3.14Å; G143-P306 WeakPolarHBondContact O-CA 3.26Å; G143-I307 PolarHBondContact O-N 3.35Å
144W98.6Very high97.8Very high20 Ų2015.8 Ų15.88%0.0768%0.082CC..EExtended strand (participates in β ladder)trans-156.6153.9174.567.2-81.3000110.9L27 P28 I29 A139 R142 I146 F297 I307 I336 G337L27-W144 HydrophobicContact CD2-CZ2 4.44Å; P28-W144 VanDerWaalsContact CB-O 3.26Å; P28-W144 WeakPolarHBondContact CB-O 3.37Å; P28-W144 HydrophobicContact CG-CD2 3.69Å; P28-W144 HydrophobicContact CG-CE3 3.84Å; P28-W144 HydrophobicContact CG-CG 4.4Å; P28-W144 HydrophobicContact CG-CH2 3.71Å; P28-W144 HydrophobicContact CG-CZ2 3.54Å; P28-W144 HydrophobicContact CG-CZ3 3.85Å; P28-W144 WeakPolarHBondContact CG-O 3.35Å; I29-W144 HydrophobicContact CD1-CH2 4.28Å; I29-W144 HydrophobicContact CG1-CH2 4Å; I29-W144 HydrophobicContact CG1-CZ3 3.92Å; A139-W144 PolarHBondContact O-N 2.93Å; R142-W144 VanDerWaalsContact C-N 3.25Å; R142-W144 PolarHBondContact O-N 2.94Å; W144-I146 HydrophobicContact CE3-CD1 4.36Å; W144-I146 HydrophobicContact CE3-CG1 4Å; W144-I146 HydrophobicContact CZ3-CD1 4.07Å; W144-I146 HydrophobicContact CZ3-CG1 3.95Å; W144-F297 HydrophobicContact CB-CE1 4.25Å; W144-I307 CarbonylContact C-O 3.28Å; W144-I307 WeakPolarHBondContact CA-O 3.44Å; W144-I307 HydrophobicContact CB-CG2 3.91Å; W144-I336 HydrophobicContact CD2-CB 3.76Å; W144-I336 HydrophobicContact CD2-CG2 3.61Å; W144-I336 HydrophobicContact CE3-CB 3.97Å; W144-I336 HydrophobicContact CE3-CG2 3.68Å; W144-I336 HydrophobicContact CG-CB 4.39Å; W144-I336 HydrophobicContact CG-CG2 3.98Å; W144-I336 HydrophobicContact CH2-CB 3.97Å; W144-I336 HydrophobicContact CH2-CD1 4.12Å; W144-I336 HydrophobicContact CH2-CG1 4.45Å; W144-I336 HydrophobicContact CZ2-CB 3.76Å; W144-I336 HydrophobicContact CZ3-CB 4.07Å; W144-I336 HydrophobicContact CZ3-CD1 4.08Å; W144-I336 HydrophobicContact CZ3-CG2 4.17Å; W144-G337 VanDerWaalsContact CZ2-N 3.34Å
145A98.8Very high97.8Very high0 Ų015.6 Ų15.60%08%0.08CC..EExtended strand (participates in β ladder)trans-153.9155.3165.500000111.1P28 A135 L138 A139 I307 M309P28-A145 HydrophobicContact CB-CB 3.9Å; P28-A145 CarbonylContact O-C 3.59Å; P28-A145 WeakPolarHBondContact O-CA 3.21Å; P28-A145 WeakPolarHBondContact O-CB 3.46Å; A135-A145 HydrophobicContact CB-CB 4Å; A135-A145 WeakPolarHBondContact O-CB 3.33Å; L138-A145 HydrophobicContact CB-CB 3.95Å; A139-A145 HydrophobicContact CB-CB 3.9Å; A145-I307 PolarHBondContact N-O 2.9Å; A145-M309 PolarHBondContact O-N 3.42Å
146I98.8Very high97.8Very high0 Ų015.8 Ų15.80%08%0.082CC..EExtended strand (participates in β ladder)trans-129.5117.8176.4-51.5-177.5000108P28 I29 V30 W144 F297 M309 I327 I336P28-I146 PolarHBondContact O-N 3.03Å; I29-I146 CarbonylContact C-O 3.47Å; I29-I146 WeakPolarHBondContact CA-O 3.33Å; V30-I146 PolarHBondContact N-O 3.26Å; W144-I146 HydrophobicContact CE3-CD1 4.36Å; W144-I146 HydrophobicContact CE3-CG1 4Å; W144-I146 HydrophobicContact CZ3-CD1 4.07Å; W144-I146 HydrophobicContact CZ3-CG1 3.95Å; I146-F297 HydrophobicContact CD1-CZ 4.44Å; I146-F297 HydrophobicContact CG1-CZ 4.44Å; I146-M309 WeakPolarHBondContact CA-O 3.48Å; I146-M309 HydrophobicContact CB-CB 4.49Å; I146-M309 HydrophobicContact CD1-SD 4.08Å; I146-M309 HydrophobicContact CG1-CB 4.12Å; I146-M309 HydrophobicContact CG1-SD 4.3Å; I146-M309 HydrophobicContact CG2-CB 4.3Å; I146-M309 HydrophobicContact CG2-CG 4.39Å; I146-M309 HydrophobicContact CG2-SD 4.2Å; I146-I327 HydrophobicContact CD1-CD1 4.3Å; I146-I327 HydrophobicContact CD1-CG1 3.9Å; I146-I327 HydrophobicContact CD1-CG2 4.37Å; I146-I327 HydrophobicContact CG2-CD1 4.36Å; I146-I336 HydrophobicContact CD1-CD1 4.37Å
147N98.6Very high97.7Very high0 Ų016 Ų160%09%0.085CC..EExtended strand (participates in β ladder)trans-87.1119.7159.5-175.623.4000107.1V30 Y35 Q128 T132 A135 G149 M309 V310V30-N147 HydrophobicContact CB-CB 4.48Å; V30-N147 PolarHBondContact O-OD1 3.3Å; Y35-N147 VanDerWaalsContact CE2-OD1 3.29Å; Y35-N147 WeakPolarHBondContact CE2-OD1 3.14Å; Y35-N147 PolarHBondContact OH-OD1 2.83Å; Q128-N147 PolarHBondContact O-ND2 2.85Å; T132-N147 PolarHBondContact N-ND2 2.75Å; T132-N147 VanDerWaalsContact N-ND2 3.11Å; T132-N147 PolarHBondContact OG1-ND2 3.28Å; A135-N147 HydrophobicContact CB-CB 4Å; N147-G149 PolarHBondContact ND2-O 3.34Å; N147-G149 PolarHBondContact O-N 3.36Å; N147-G149 VanDerWaalsContact O-O 3.07Å; N147-M309 PolarHBondContact N-O 2.8Å; N147-V310 HydrophobicContact CB-CG1 4.23Å
148V96.6Very high97.7Very high0 Ų018.4 Ų18.40%010%0.099CC..SBendtrans-71.7-10.5-175.9-58.30000113.1I29 V30 Y31 Y35 W53 V56 I57 T311I29-V148 HydrophobicContact CG2-CG1 3.88Å; V30-V148 PolarHBondContact O-N 3.02Å; V30-V148 VanDerWaalsContact O-N 3.11Å; Y31-V148 HydrophobicContact CD2-CG2 3.41Å; Y31-V148 VanDerWaalsContact CD2-CG2 3.41Å; Y31-V148 HydrophobicContact CE2-CG2 4.37Å; Y31-V148 HydrophobicContact CG-CG2 3.98Å; Y35-V148 HydrophobicContact CD2-CG2 4.31Å; Y35-V148 HydrophobicContact CE2-CG2 4.24Å; W53-V148 HydrophobicContact CB-CG2 4.4Å; W53-V148 VanDerWaalsContact CD2-O 3.31Å; W53-V148 WeakPolarHBondContact CZ3-O 3.32Å; V56-V148 HydrophobicContact CG1-CG1 4.43Å; I57-V148 HydrophobicContact CD1-CB 4.47Å; I57-V148 HydrophobicContact CD1-CG1 3.83Å; I57-V148 HydrophobicContact CD1-CG2 4.06Å; I57-V148 HydrophobicContact CG1-CG2 4.21Å; V148-T311 VanDerWaalsContact C-OG1 3.27Å; V148-T311 PolarHBondContact O-OG1 3.22Å
149G94.4Very high97.7Very high0 Ų024.9 Ų24.90%013%0.127CC..SBendtrans-117.8-152.4167.700000111.7N147N147-G149 PolarHBondContact ND2-O 3.34Å; N147-G149 PolarHBondContact O-N 3.36Å; N147-G149 VanDerWaalsContact O-O 3.07Å
150G96.1Very high97.6Very high0 Ų025.4 Ų25.40%013%0.132CC..  trans69.6-156.3-17800000112.7Q128 D168 S312Q128-G150 VanDerWaalsContact OE1-N 3.08Å; G150-D168 WeakPolarHBondContact CA-OD2 3.23Å; G150-S312 WeakPolarHBondContact O-CA 3.3Å; G150-S312 PolarHBondContact O-N 3.11Å
151G97.3Very high97.4Very high0 Ų024.2 Ų24.20%013%0.128CC..  trans78.538-174.400000112.1H153 D168 N268 V310 S312G151-H153 PolarHBondContact O-N 3.19Å; G151-D168 PolarHBondContact N-OD2 3.44Å; G151-N268 VanDerWaalsContact CA-OD1 3.3Å; G151-N268 WeakPolarHBondContact CA-OD1 3.33Å; G151-V310 VanDerWaalsContact CA-CG2 3.5Å; G151-S312 WeakPolarHBondContact O-CB 3.42Å; G151-S312 PolarHBondContact O-OG 3.26Å
152F97.6Very high97.2Very high17 Ų1719.4 Ų19.48%0.07511%0.107CC..  trans-78.760.7-176.4-59.7-32.6000111.4L125 Q128 H154 C155 C164 Y166 D168L125-F152 HydrophobicContact CB-CE2 4.18Å; L125-F152 HydrophobicContact CB-CZ 4.38Å; L125-F152 HydrophobicContact CD2-CE1 3.88Å; L125-F152 HydrophobicContact CD2-CE2 3.97Å; L125-F152 HydrophobicContact CD2-CZ 3.37Å; L125-F152 HydrophobicContact CG-CZ 4.46Å; Q128-F152 HydrophobicContact CB-CE2 3.95Å; Q128-F152 HydrophobicContact CB-CZ 3.78Å; Q128-F152 HydrophobicContact CG-CZ 4.4Å; F152-H154 PolarHBondContact O-N 3.3Å; F152-H154 VanDerWaalsContact O-N 3.13Å; F152-C155 PolarHBondContact O-N 3.34Å; F152-C164 WeakPolarHBondContact CA-SG 3.23Å; F152-C164 HydrophobicContact CB-CB 3.77Å; F152-Y166 WeakPolarHBondContact CB-O 3.48Å; F152-Y166 WeakPolarHBondContact CD2-O 3.47Å; F152-D168 WeakPolarHBondContact CA-OD1 3.36Å; F152-D168 WeakPolarHBondContact CB-OD1 3.05Å; F152-D168 HydrophobicContact CD2-CB 4.13Å; F152-D168 PolarHBondContact N-OD1 3.03Å
153H98.3Very high97Very high4 Ų417.8 Ų17.82%0.01910%0.101CC..THydrogen-bonded Turntrans-69.4-10.4-167.771.4162.9000115.2G151 I169 D190 D192 H194 G196 G198 N268G151-H153 PolarHBondContact O-N 3.19Å; H153-I169 HydrophobicContact CB-CD1 4.02Å; H153-D190 IonicContact CE1-OD2 2.82Å; H153-D190 IonicContact CG-OD2 2.89Å; H153-D190 IonicContact ND1-OD1 3.78Å; H153-D190 IonicContact ND1-OD2 2.61Å; H153-D190 PolarHBondContact ND1-OD2 2.96Å; H153-D192 VanDerWaalsContact CE1-CB 3.49Å; H153-D192 WeakPolarHBondContact CE1-CB 3.36Å; H153-D192 IonicContact CE1-OD1 3.6Å; H153-D192 PolarHBondContact CE1-OD1 3.29Å; H153-D192 VanDerWaalsContact CE1-OD1 3.27Å; H153-D192 IonicContact NE2-OD1 3.01Å; H153-H194 PolarHBondContact CE1-O 2.86Å; H153-H194 VanDerWaalsContact CE1-O 3.28Å; H153-G196 CarbonylContact O-C 3.6Å; H153-G196 VanDerWaalsContact O-C 3.28Å; H153-G198 WeakPolarHBondContact O-CA 3.22Å; H153-G198 PolarHBondContact O-N 2.67Å; H153-N268 PolarHBondContact ND1-ND2 2.87Å
154H98.4Very high96.9Very high9 Ų916.3 Ų16.34%0.0429%0.086CC..THydrogen-bonded Turntrans-90.9-12.7176.9-67.8-47.3000114F152 G161 G162 C164 Q195 N197 Y220F152-H154 PolarHBondContact O-N 3.3Å; F152-H154 VanDerWaalsContact O-N 3.13Å; H154-G161 WeakPolarHBondContact CB-O 3.46Å; H154-G162 PolarHBondContact CD2-O 3.01Å; H154-C164 HydrophobicContact CB-CB 3.91Å; H154-Q195 PolarHBondContact CE1-O 3.36Å; H154-Q195 PolarHBondContact ND1-O 3.13Å; H154-N197 WeakPolarHBondContact CA-OD1 3.15Å; H154-N197 PolarHBondContact ND1-OD1 2.99Å; H154-Y220 AromaticContact CD2-CE1 3.83Å; H154-Y220 AromaticContact CE1-CD1 3.89Å; H154-Y220 AromaticContact CE1-CE1 3.58Å; H154-Y220 AromaticContact CG-CE1 3.89Å; H154-Y220 AromaticContact ND1-CE1 3.73Å; H154-Y220 AromaticContact NE2-CD1 3.82Å; H154-Y220 AromaticContact NE2-CE1 3.56Å
155C98.4Very high96.9Very high0 Ų015.4 Ų15.40%08%0.083CC..  trans-87.6133.9177.2-169.80000110.7F152 K159 C164 A165 Y166 A167 G198F152-C155 PolarHBondContact O-N 3.34Å; C155-K159 WeakPolarHBondContact CA-O 3.3Å; C155-K159 PolarHBondContact SG-O 3.15Å; C155-C164 HydrophobicContact CB-CB 3.73Å; C155-C164 WeakPolarHBondContact CB-O 3.38Å; C155-A165 PolarHBondContact SG-O 3.36Å; C155-A165 VanDerWaalsContact SG-O 3.38Å; C155-Y166 WeakPolarHBondContact CB-O 3.44Å; C155-Y166 VanDerWaalsContact SG-C 3.54Å; C155-A167 HydrophobicContact CB-CB 4.31Å; C155-A167 VanDerWaalsContact O-CB 3.3Å; C155-A167 WeakPolarHBondContact O-CB 3.32Å; C155-G198 CarbonylContact O-C 3.55Å; C155-G198 VanDerWaalsContact O-CA 3.27Å; C155-G198 WeakPolarHBondContact O-CA 3.21Å
156S98.3Very high96.9Very high4 Ų415.5 Ų15.53%0.0288%0.083CC..BIsolated β-bridgetrans-111172.4170.955.90000110H86 D158 K159 D202H86-S156 PolarHBondContact CE1-O 3.47Å; H86-S156 PolarHBondContact ND1-O 2.54Å; S156-D158 PolarHBondContact O-N 3.34Å; S156-K159 PolarHBondContact N-O 3Å; S156-K159 PolarHBondContact O-N 3.42Å; S156-K159 PolarHBondContact OG-N 3.37Å; S156-K159 PolarHBondContact OG-O 2.97Å; S156-K159 VanDerWaalsContact OG-O 3.11Å; S156-D202 WeakPolarHBondContact CA-OD1 3.3Å; S156-D202 WeakPolarHBondContact CA-OD2 3.23Å; S156-D202 WeakPolarHBondContact CB-OD1 3.25Å
157G97.7Very high96.9Very high6 Ų615.6 Ų15.66%0.0628%0.083CC..THydrogen-bonded Turntrans-54.9-25.7-179.100000115V85 H86 T87 D202V85-G157 WeakPolarHBondContact O-CA 3.35Å; H86-G157 CarbonylContact C-O 3.28Å; H86-G157 WeakPolarHBondContact CA-O 3.26Å; H86-G157 PolarHBondContact ND1-O 2.77Å; T87-G157 PolarHBondContact N-O 3.04Å; G157-D202 PolarHBondContact N-OD1 3.25Å; G157-D202 PolarHBondContact N-OD2 3.45Å
158D97.6Very high96.9Very high81 Ų8115.6 Ų15.643%0.4338%0.083SC..THydrogen-bonded Turntrans-124.94.2-178.276-22.3000115.5T87 R89 Y90 S156T87-D158 HydrophobicContact CG2-CB 3.88Å; R89-D158 IonicContact NH2-OD2 3.22Å; Y90-D158 WeakPolarHBondContact CD2-O 3.34Å; S156-D158 PolarHBondContact O-N 3.34Å
159K97.6Very high97Very high135 Ų13515.7 Ų15.759%0.5878%0.084SC*.BIsolated β-bridgetrans-153.6131.1-178-173.9179.1178.2-171.40112.5C155 S156C155-K159 WeakPolarHBondContact CA-O 3.3Å; C155-K159 PolarHBondContact SG-O 3.15Å; S156-K159 PolarHBondContact N-O 3Å; S156-K159 PolarHBondContact O-N 3.42Å; S156-K159 PolarHBondContact OG-N 3.37Å; S156-K159 PolarHBondContact OG-O 2.97Å; S156-K159 VanDerWaalsContact OG-O 3.11Å
160G96.8Very high97.2Very high11 Ų1115.8 Ų15.811%0.1138%0.084CC..  trans-97.1168166.900000112.7Y90 C164Y90-G160 VanDerWaalsContact CE2-N 3.3Å; Y90-G160 VanDerWaalsContact OH-CA 3.28Å; Y90-G160 WeakPolarHBondContact OH-CA 3.47Å; Y90-G160 PolarHBondContact OH-N 3.43Å; G160-C164 VanDerWaalsContact CA-O 3.23Å; G160-C164 WeakPolarHBondContact CA-O 3.49Å
161G95.4Very high97.3Very high12 Ų1215.8 Ų15.812%0.1248%0.084CC..BIsolated β-bridgetrans168.4169.5178.400000111.2H154 F163 C164H154-G161 WeakPolarHBondContact CB-O 3.46Å; G161-F163 VanDerWaalsContact C-N 3.32Å; G161-F163 PolarHBondContact O-N 2.96Å; G161-C164 PolarHBondContact N-O 3.21Å; G161-C164 VanDerWaalsContact N-O 3.09Å; G161-C164 WeakPolarHBondContact O-CA 3.43Å; G161-C164 VanDerWaalsContact O-CB 3.24Å; G161-C164 WeakPolarHBondContact O-CB 3.43Å; G161-C164 PolarHBondContact O-N 3.11Å
162G92.4Very high97.4Very high6 Ų615.8 Ų15.86%0.0628%0.084CC..THydrogen-bonded Turntrans51.249.1178.300000112.9H154 C164H154-G162 PolarHBondContact CD2-O 3.01Å; G162-C164 PolarHBondContact O-N 3.21Å; G162-C164 VanDerWaalsContact O-N 3.07Å; G162-C164 PolarHBondContact O-SG 3.15Å
163F92.3Very high97.4Very high32 Ų3215 Ų1514%0.148%0.081CC..THydrogen-bonded Turntrans68.8-1.5-176.7-35.5-63.7000116.2H46 I103 T104 E105 G161 L279 Y315H46-F163 AromaticContact CE1-CD1 3.55Å; H46-F163 AromaticContact CE1-CE1 3.39Å; H46-F163 WeakPolarHBondContact CE1-CE1 3.44Å; H46-F163 AromaticContact NE2-CD1 3.68Å; H46-F163 AromaticContact NE2-CE1 3.35Å; H46-F163 VanDerWaalsContact NE2-CE1 3.35Å; H46-F163 WeakPolarHBondContact NE2-CE1 3.12Å; I103-F163 WeakPolarHBondContact O-CA 3.36Å; I103-F163 PolarHBondContact O-N 2.8Å; T104-F163 WeakPolarHBondContact O-CD1 3.47Å; E105-F163 HydrophobicContact CB-CD1 4.39Å; E105-F163 HydrophobicContact CB-CE1 3.87Å; E105-F163 HydrophobicContact CG-CD1 4.35Å; E105-F163 HydrophobicContact CG-CE1 3.95Å; G161-F163 VanDerWaalsContact C-N 3.32Å; G161-F163 PolarHBondContact O-N 2.96Å; F163-L279 HydrophobicContact CE2-CD1 3.89Å; F163-L279 HydrophobicContact CZ-CD1 4.01Å; F163-Y315 HydrophobicContact CD2-CE1 4.06Å; F163-Y315 AromaticContact CE2-CE1 3.81Å; F163-Y315 HydrophobicContact CE2-CE1 3.81Å; F163-Y315 AromaticContact CE2-CZ 3.92Å
164C96.1Very high97.4Very high6 Ų616.9 Ų16.94%0.0419%0.089CC..BIsolated β-bridgetrans-101.4110.7-173.6-59.40000111.3I103 F152 H154 C155 G160 G161 G162I103-C164 VanDerWaalsContact CG2-O 3.28Å; I103-C164 WeakPolarHBondContact CG2-O 3.4Å; F152-C164 WeakPolarHBondContact CA-SG 3.23Å; F152-C164 HydrophobicContact CB-CB 3.77Å; H154-C164 HydrophobicContact CB-CB 3.91Å; C155-C164 HydrophobicContact CB-CB 3.73Å; C155-C164 WeakPolarHBondContact CB-O 3.38Å; G160-C164 VanDerWaalsContact CA-O 3.23Å; G160-C164 WeakPolarHBondContact CA-O 3.49Å; G161-C164 PolarHBondContact N-O 3.21Å; G161-C164 VanDerWaalsContact N-O 3.09Å; G161-C164 WeakPolarHBondContact O-CA 3.43Å; G161-C164 VanDerWaalsContact O-CB 3.24Å; G161-C164 WeakPolarHBondContact O-CB 3.43Å; G161-C164 PolarHBondContact O-N 3.11Å; G162-C164 PolarHBondContact O-N 3.21Å; G162-C164 VanDerWaalsContact O-N 3.07Å; G162-C164 PolarHBondContact O-SG 3.15Å
165A97.2Very high97.4Very high1 Ų116.5 Ų16.51%0.0089%0.087CC..  trans-95.2-22.9178.300000114.3Y90 I103 L122 L125 C155Y90-A165 WeakPolarHBondContact CE1-O 3.12Å; Y90-A165 PolarHBondContact OH-O 3.01Å; I103-A165 HydrophobicContact CG2-CB 4.15Å; L122-A165 HydrophobicContact CD2-CB 3.93Å; L125-A165 HydrophobicContact CD1-CB 3.76Å; C155-A165 PolarHBondContact SG-O 3.36Å; C155-A165 VanDerWaalsContact SG-O 3.38Å
166Y98.5Very high97.4Very high2 Ų216.5 Ų16.51%0.0089%0.088CC..SBendtrans-133.6143.1-178.6-56.6-68.7000109.9L82 H86 L91 L94 L122 L125 R126 T129 F152 C155 D168L82-Y166 HydrophobicContact CD1-CD1 3.64Å; L82-Y166 HydrophobicContact CD1-CE1 3.39Å; L82-Y166 HydrophobicContact CD2-CD1 3.96Å; L82-Y166 HydrophobicContact CD2-CG 4.32Å; L82-Y166 HydrophobicContact CG-CD1 4.44Å; H86-Y166 WeakPolarHBondContact NE2-CA 3.39Å; L91-Y166 HydrophobicContact CD2-CD1 4.46Å; L91-Y166 HydrophobicContact CD2-CE1 4.15Å; L94-Y166 HydrophobicContact CD1-CD1 4.21Å; L94-Y166 HydrophobicContact CD1-CE1 3.45Å; L94-Y166 VanDerWaalsContact CD1-CE1 3.45Å; L122-Y166 HydrophobicContact CD2-CE2 4.15Å; L125-Y166 HydrophobicContact CB-CD2 3.76Å; L125-Y166 HydrophobicContact CB-CE2 3.84Å; R126-Y166 HydrophobicContact CB-CE2 4.46Å; R126-Y166 HydrophobicContact CG-CD2 4.15Å; R126-Y166 HydrophobicContact CG-CE1 4.29Å; R126-Y166 HydrophobicContact CG-CE2 3.46Å; R126-Y166 VanDerWaalsContact CG-CE2 3.46Å; T129-Y166 WeakPolarHBondContact OG1-CB 3.5Å; F152-Y166 WeakPolarHBondContact CB-O 3.48Å; F152-Y166 WeakPolarHBondContact CD2-O 3.47Å; C155-Y166 WeakPolarHBondContact CB-O 3.44Å; C155-Y166 VanDerWaalsContact SG-C 3.54Å; Y166-D168 VanDerWaalsContact C-N 3.3Å; Y166-D168 PolarHBondContact O-N 3.37Å; Y166-D168 VanDerWaalsContact O-N 3.1Å
167A98.4Very high97.4Very high1 Ų117.8 Ų17.81%0.0089%0.093CC..  trans-87.666.3-175.700000110.1V85 H86 C155 I169 T170 L171V85-A167 HydrophobicContact CG1-CB 4.13Å; H86-A167 PolarHBondContact CE1-N 2.93Å; H86-A167 PolarHBondContact NE2-N 2.85Å; C155-A167 HydrophobicContact CB-CB 4.31Å; C155-A167 VanDerWaalsContact O-CB 3.3Å; C155-A167 WeakPolarHBondContact O-CB 3.32Å; A167-I169 PolarHBondContact O-N 3.45Å; A167-T170 PolarHBondContact O-N 2.84Å; A167-L171 WeakPolarHBondContact O-CB 3.19Å; A167-L171 WeakPolarHBondContact O-CG 3.5Å; A167-L171 PolarHBondContact O-N 2.87Å
168D98.8Very high97.3Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-64.1-37.6-169.872.8-36.6000113.8T129 T132 G150 G151 F152 Y166 L171 A172T129-D168 HydrophobicContact CG2-CB 3.86Å; T132-D168 WeakPolarHBondContact CB-OD2 3.41Å; T132-D168 HydrophobicContact CG2-CB 4.3Å; T132-D168 PolarHBondContact OG1-OD2 3.43Å; G150-D168 WeakPolarHBondContact CA-OD2 3.23Å; G151-D168 PolarHBondContact N-OD2 3.44Å; F152-D168 WeakPolarHBondContact CA-OD1 3.36Å; F152-D168 WeakPolarHBondContact CB-OD1 3.05Å; F152-D168 HydrophobicContact CD2-CB 4.13Å; F152-D168 PolarHBondContact N-OD1 3.03Å; Y166-D168 VanDerWaalsContact C-N 3.3Å; Y166-D168 PolarHBondContact O-N 3.37Å; Y166-D168 VanDerWaalsContact O-N 3.1Å; D168-L171 PolarHBondContact O-N 3.45Å; D168-A172 WeakPolarHBondContact O-CB 3.46Å; D168-A172 PolarHBondContact O-N 3.42Å
169I98.8Very high97.2Very high2 Ų219.7 Ų19.71%0.0110%0.095CC..Hα-helixtrans-60.7-50.2172.9-67.8172.1000110.5H153 A167 L171 A172 I173 I188 H199 V266 N268 V310H153-I169 HydrophobicContact CB-CD1 4.02Å; A167-I169 PolarHBondContact O-N 3.45Å; I169-L171 VanDerWaalsContact C-N 3.35Å; I169-L171 PolarHBondContact O-N 3.47Å; I169-A172 PolarHBondContact O-N 3.24Å; I169-I173 HydrophobicContact CG2-CD1 4.14Å; I169-I173 WeakPolarHBondContact O-CG1 3.5Å; I169-I173 PolarHBondContact O-N 2.87Å; I169-I173 VanDerWaalsContact O-N 3.1Å; I169-I188 HydrophobicContact CG2-CD1 3.95Å; I169-H199 HydrophobicContact CG2-CB 4.18Å; I169-V266 HydrophobicContact CG1-CG1 4.47Å; I169-V266 HydrophobicContact CG2-CG1 4.06Å; I169-N268 HydrophobicContact CD1-CB 4.23Å; I169-V310 HydrophobicContact CD1-CG2 4.41Å; I169-V310 HydrophobicContact CG1-CG2 4.46Å
170T98.8Very high97.1Very high2 Ų214.7 Ų14.71%0.0128%0.076CC..Hα-helixtrans-60.4-46.4178.2-53.20000110.7V85 A167 I173 K174 D202 F203V85-T170 HydrophobicContact CB-CG2 4.4Å; V85-T170 HydrophobicContact CG1-CG2 3.7Å; V85-T170 HydrophobicContact CG2-CG2 3.71Å; A167-T170 PolarHBondContact O-N 2.84Å; T170-I173 PolarHBondContact O-N 2.97Å; T170-K174 HydrophobicContact CG2-CG 4.33Å; T170-K174 WeakPolarHBondContact O-CG 3.24Å; T170-K174 PolarHBondContact O-N 3.21Å; T170-D202 WeakPolarHBondContact CB-OD2 3.42Å; T170-D202 HydrophobicContact CG2-CB 3.59Å; T170-D202 VanDerWaalsContact CG2-OD2 3.28Å; T170-D202 WeakPolarHBondContact CG2-OD2 3.43Å; T170-D202 PolarHBondContact OG1-OD2 3.27Å; T170-F203 HydrophobicContact CG2-CE1 4.45Å; T170-F203 HydrophobicContact CG2-CE2 3.88Å; T170-F203 HydrophobicContact CG2-CZ 3.71Å
171L98.8Very high97Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-59.4-47.8178.1-80.6162.9000111.4D81 L82 V84 V85 T129 I133 A167 D168 I169 I173 K174 F175D81-L171 WeakPolarHBondContact O-CD2 3.38Å; L82-L171 HydrophobicContact CD2-CD1 3.72Å; V84-L171 HydrophobicContact CB-CD2 4.07Å; V85-L171 HydrophobicContact CB-CD2 3.68Å; V85-L171 HydrophobicContact CB-CG 3.88Å; V85-L171 HydrophobicContact CG2-CB 4.44Å; V85-L171 HydrophobicContact CG2-CD2 3.63Å; V85-L171 HydrophobicContact CG2-CG 3.84Å; T129-L171 HydrophobicContact CG2-CD1 3.53Å; I133-L171 HydrophobicContact CD1-CB 4.05Å; I133-L171 HydrophobicContact CG1-CB 4.24Å; A167-L171 WeakPolarHBondContact O-CB 3.19Å; A167-L171 WeakPolarHBondContact O-CG 3.5Å; A167-L171 PolarHBondContact O-N 2.87Å; D168-L171 PolarHBondContact O-N 3.45Å; I169-L171 VanDerWaalsContact C-N 3.35Å; I169-L171 PolarHBondContact O-N 3.47Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.35Å; L171-K174 PolarHBondContact O-N 3.3Å; L171-F175 HydrophobicContact CD2-CE2 4.12Å; L171-F175 WeakPolarHBondContact O-CB 3.37Å; L171-F175 VanDerWaalsContact O-CD2 3.25Å; L171-F175 WeakPolarHBondContact O-CD2 3.39Å; L171-F175 PolarHBondContact O-N 2.83Å
172A98.8Very high96.9Very high0 Ų025.9 Ų25.90%014%0.138CC..Hα-helixtrans-59-4517900000111.9T132 I133 D168 I169 F175 L176 L308T132-A172 HydrophobicContact CG2-CB 3.9Å; I133-A172 HydrophobicContact CG1-CB 4.36Å; D168-A172 WeakPolarHBondContact O-CB 3.46Å; D168-A172 PolarHBondContact O-N 3.42Å; I169-A172 PolarHBondContact O-N 3.24Å; A172-F175 PolarHBondContact O-N 3.49Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.28Å; A172-L176 PolarHBondContact O-N 3.21Å; A172-L308 HydrophobicContact CB-CD2 4.36Å
173I98.8Very high97.2Very high1 Ų126.4 Ų26.41%0.00514%0.14CC..Hα-helixtrans-64.4-45.5177.6-67.6169.4000111.5I169 T170 L171 L176 F177 A186 I188 F203 V209 V266I169-I173 HydrophobicContact CG2-CD1 4.14Å; I169-I173 WeakPolarHBondContact O-CG1 3.5Å; I169-I173 PolarHBondContact O-N 2.87Å; I169-I173 VanDerWaalsContact O-N 3.1Å; T170-I173 PolarHBondContact O-N 2.97Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.35Å; I173-L176 PolarHBondContact O-N 3.31Å; I173-F177 HydrophobicContact CG2-CD2 4.02Å; I173-F177 HydrophobicContact CG2-CE1 4.13Å; I173-F177 HydrophobicContact CG2-CE2 3.57Å; I173-F177 HydrophobicContact CG2-CG 4.49Å; I173-F177 HydrophobicContact CG2-CZ 3.63Å; I173-F177 WeakPolarHBondContact O-CG 3.38Å; I173-F177 PolarHBondContact O-N 2.78Å; I173-A186 HydrophobicContact CD1-CB 4.28Å; I173-A186 HydrophobicContact CG1-CB 4.26Å; I173-A186 HydrophobicContact CG2-CB 4.13Å; I173-I188 HydrophobicContact CD1-CD1 3.62Å; I173-I188 HydrophobicContact CD1-CG1 3.72Å; I173-F203 HydrophobicContact CB-CE2 4.49Å; I173-F203 HydrophobicContact CB-CZ 3.82Å; I173-F203 HydrophobicContact CD1-CE2 3.87Å; I173-F203 HydrophobicContact CD1-CZ 4.03Å; I173-F203 HydrophobicContact CG2-CE1 4.02Å; I173-F203 HydrophobicContact CG2-CZ 3.67Å; I173-V209 HydrophobicContact CG2-CG2 4.04Å; I173-V266 HydrophobicContact CD1-CG2 4.03Å; I173-V266 HydrophobicContact CG1-CG2 3.82Å
174K98.4Very high97.4Very high44 Ų4428 Ų2819%0.19115%0.154CC..Hα-helixtrans-64.3-41.3178.3-67.3-65.9-174.2-174.40111.7V84 V85 T170 L171 L176 F177 E178 F203 D206V84-K174 HydrophobicContact CG1-CB 4Å; V85-K174 HydrophobicContact CG2-CB 4.2Å; V85-K174 HydrophobicContact CG2-CG 3.8Å; T170-K174 HydrophobicContact CG2-CG 4.33Å; T170-K174 WeakPolarHBondContact O-CG 3.24Å; T170-K174 PolarHBondContact O-N 3.21Å; L171-K174 PolarHBondContact O-N 3.3Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.39Å; K174-F177 PolarHBondContact O-N 2.65Å; K174-E178 WeakPolarHBondContact O-CB 3.46Å; K174-E178 WeakPolarHBondContact O-CG 3.07Å; K174-E178 PolarHBondContact O-N 3.09Å; K174-F203 HydrophobicContact CD-CE1 4.35Å; K174-D206 IonicContact NZ-OD2 3.75Å; K174-D206 PolarHBondContact NZ-OD2 2.84Å
175F98.3Very high97.6Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-59.6-44.7174.4-94.1-112.2000111.6H14 T16 L18 D81 V84 I133 L171 A172 E178 R179H14-F175 AromaticContact CE1-CZ 3.85Å; T16-F175 HydrophobicContact CG2-CE1 4.01Å; L18-F175 HydrophobicContact CD1-CE1 4.3Å; L18-F175 HydrophobicContact CD1-CZ 4.4Å; D81-F175 HydrophobicContact CB-CZ 3.91Å; V84-F175 HydrophobicContact CB-CD2 4.42Å; V84-F175 HydrophobicContact CB-CE2 3.88Å; V84-F175 HydrophobicContact CG1-CD2 4.16Å; V84-F175 HydrophobicContact CG1-CE2 4.12Å; V84-F175 HydrophobicContact CG2-CD2 4.39Å; V84-F175 HydrophobicContact CG2-CE2 3.61Å; V84-F175 HydrophobicContact CG2-CZ 4.08Å; I133-F175 HydrophobicContact CD1-CD2 4.26Å; I133-F175 HydrophobicContact CD1-CE2 4.11Å; I133-F175 HydrophobicContact CD1-CZ 4.31Å; I133-F175 HydrophobicContact CG2-CB 4.13Å; I133-F175 HydrophobicContact CG2-CD1 3.63Å; I133-F175 HydrophobicContact CG2-CE1 4.14Å; I133-F175 HydrophobicContact CG2-CG 3.89Å; L171-F175 HydrophobicContact CD2-CE2 4.12Å; L171-F175 WeakPolarHBondContact O-CB 3.37Å; L171-F175 VanDerWaalsContact O-CD2 3.25Å; L171-F175 WeakPolarHBondContact O-CD2 3.39Å; L171-F175 PolarHBondContact O-N 2.83Å; A172-F175 PolarHBondContact O-N 3.49Å; F175-E178 PolarHBondContact O-N 3.1Å; F175-R179 VanDerWaalsContact O-CB 3.26Å; F175-R179 WeakPolarHBondContact O-CB 3.26Å; F175-R179 PolarHBondContact O-N 2.94Å
176L98.4Very high97.6Very high1 Ų132.4 Ų32.41%0.00517%0.17CC..Hα-helixtrans-60.6-49.8176.5-72.7173.7000111.8V140 A172 I173 K174 E178 R179 V180 I183 I264V140-L176 HydrophobicContact CG2-CD2 3.99Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.28Å; A172-L176 PolarHBondContact O-N 3.21Å; I173-L176 PolarHBondContact O-N 3.31Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.39Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.42Å; L176-R179 PolarHBondContact O-N 3.43Å; L176-V180 HydrophobicContact CD2-CB 4.24Å; L176-V180 HydrophobicContact CD2-CG2 3.66Å; L176-V180 WeakPolarHBondContact O-CB 3.3Å; L176-V180 PolarHBondContact O-N 3.13Å; L176-I183 HydrophobicContact CB-CG2 4.01Å; L176-I264 HydrophobicContact CD1-CD1 3.53Å; L176-I264 HydrophobicContact CD1-CG2 4.18Å
177F97.9Very high97.6Very high31 Ų3132.3 Ų32.314%0.13617%0.17CC..Hα-helixtrans-61.5-32179.5-70.1-9.2000113.7I173 K174 I183 A186 R208 V209I173-F177 HydrophobicContact CG2-CD2 4.02Å; I173-F177 HydrophobicContact CG2-CE1 4.13Å; I173-F177 HydrophobicContact CG2-CE2 3.57Å; I173-F177 HydrophobicContact CG2-CG 4.49Å; I173-F177 HydrophobicContact CG2-CZ 3.63Å; I173-F177 WeakPolarHBondContact O-CG 3.38Å; I173-F177 PolarHBondContact O-N 2.78Å; K174-F177 PolarHBondContact O-N 2.65Å; F177-I183 HydrophobicContact CD1-CG2 4.06Å; F177-I183 HydrophobicContact CE1-CG2 4.21Å; F177-A186 HydrophobicContact CE1-CB 4.2Å; F177-A186 HydrophobicContact CZ-CB 4Å; F177-R208 HydrophobicContact CE2-CB 3.9Å; F177-R208 HydrophobicContact CZ-CB 4.06Å; F177-V209 HydrophobicContact CE2-CG2 3.89Å; F177-V209 HydrophobicContact CZ-CG2 4.02Å
178E95.8Very high97.7Very high70 Ų7032.2 Ų32.233%0.32717%0.169SC..Hα-helixtrans-87.7-30.1-177.9-72.4177.3-176.800113.5F13 K174 F175 L176F13-E178 HydrophobicContact CD1-CB 4.08Å; F13-E178 HydrophobicContact CD1-CG 4.28Å; F13-E178 HydrophobicContact CE1-CB 3.67Å; F13-E178 HydrophobicContact CE1-CG 3.64Å; F13-E178 WeakPolarHBondContact CE2-O 3.18Å; F13-E178 HydrophobicContact CZ-CB 3.97Å; F13-E178 HydrophobicContact CZ-CG 4.22Å; K174-E178 WeakPolarHBondContact O-CB 3.46Å; K174-E178 WeakPolarHBondContact O-CG 3.07Å; K174-E178 PolarHBondContact O-N 3.09Å; F175-E178 PolarHBondContact O-N 3.1Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.42Å
179R95.3Very high97.7Very high57 Ų5732.3 Ų32.322%0.21517%0.17CC..Hα-helixtrans-123.7-11.4-164-63.2169.9178.867.22.8114.8H14 Y19 F175 L176H14-R179 PolarHBondContact CE1-NH2 3.34Å; H14-R179 PolarHBondContact ND1-NH2 3.13Å; Y19-R179 HydrophobicContact CD2-CB 4.47Å; Y19-R179 HydrophobicContact CE2-CB 3.89Å; F175-R179 VanDerWaalsContact O-CB 3.26Å; F175-R179 WeakPolarHBondContact O-CB 3.26Å; F175-R179 PolarHBondContact O-N 2.94Å; L176-R179 PolarHBondContact O-N 3.43Å
180V95.5Very high97.7Very high30 Ų3032.2 Ų32.218%0.18217%0.169CC..SBendtrans-115.6113.4-179.7-172.70000109.4Y19 V140 L176 I183Y19-V180 HydrophobicContact CE2-CG2 4.21Å; V140-V180 HydrophobicContact CG1-CG1 3.98Å; L176-V180 HydrophobicContact CD2-CB 4.24Å; L176-V180 HydrophobicContact CD2-CG2 3.66Å; L176-V180 WeakPolarHBondContact O-CB 3.3Å; L176-V180 PolarHBondContact O-N 3.13Å; V180-I183 HydrophobicContact CB-CB 4.46Å; V180-I183 HydrophobicContact CB-CG1 4Å; V180-I183 HydrophobicContact CG1-CG1 3.67Å; V180-I183 PolarHBondContact O-N 3.35Å
181E93.8Very high97.7Very high195 Ų19532.1 Ų32.191%0.91117%0.169SC*.THydrogen-bonded Turntrans-59.1138-179.6-171.8174.9-173.200111.2I183E181-I183 VanDerWaalsContact C-N 3.27Å; E181-I183 PolarHBondContact O-N 2.81Å
182G94.4Very high97.7Very high62 Ų6232.1 Ų32.164%0.63917%0.169SC*.THydrogen-bonded Turntrans81.4-5.6179.700000115.2
183I97.9Very high97.7Very high18 Ų1832.1 Ų32.19%0.09217%0.169CC..  trans-97.4113.1176.3-51.1-58.7000109.8V140 L176 F177 V180 E181 D263 I264V140-I183 HydrophobicContact CG1-CD1 3.8Å; V140-I183 HydrophobicContact CG1-CG1 4.11Å; V140-I183 HydrophobicContact CG2-CD1 3.91Å; V140-I183 HydrophobicContact CG2-CG1 4.06Å; L176-I183 HydrophobicContact CB-CG2 4.01Å; F177-I183 HydrophobicContact CD1-CG2 4.06Å; F177-I183 HydrophobicContact CE1-CG2 4.21Å; V180-I183 HydrophobicContact CB-CB 4.46Å; V180-I183 HydrophobicContact CB-CG1 4Å; V180-I183 HydrophobicContact CG1-CG1 3.67Å; V180-I183 PolarHBondContact O-N 3.35Å; E181-I183 VanDerWaalsContact C-N 3.27Å; E181-I183 PolarHBondContact O-N 2.81Å; I183-D263 HydrophobicContact CD1-CB 3.75Å; I183-D263 HydrophobicContact CG2-CB 4.2Å; I183-I264 HydrophobicContact CG2-CG2 4.22Å
184S97.4Very high97.7Very high64 Ų6432.5 Ų32.545%0.44817%0.17SC..  trans-137.9-13.6-175.367.90000113.6R208 D263S184-R208 WeakPolarHBondContact O-CB 3.38Å; S184-R208 WeakPolarHBondContact O-CG 3.46Å; S184-D263 PolarHBondContact N-OD2 3.49Å; S184-D263 PolarHBondContact OG-OD2 3.25Å
185R98.4Very high97.6Very high99 Ų9930.5 Ų30.537%0.37416%0.162SC..  trans-135.4133.4179.2-65.1-18069.2157.83.3111.6R208 D263R185-R208 VanDerWaalsContact CA-O 3.24Å; R185-R208 WeakPolarHBondContact CA-O 3.14Å; R185-D263 PolarHBondContact N-OD2 3.39Å; R185-D263 WeakPolarHBondContact O-CB 3.48Å; R185-D263 PolarHBondContact O-N 3.19Å
186A98.8Very high97.7Very high1 Ų130.5 Ų30.51%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-125.3146.9176.800000110.5I173 F177 R208 V209 F210 I264I173-A186 HydrophobicContact CD1-CB 4.28Å; I173-A186 HydrophobicContact CG1-CB 4.26Å; I173-A186 HydrophobicContact CG2-CB 4.13Å; F177-A186 HydrophobicContact CE1-CB 4.2Å; F177-A186 HydrophobicContact CZ-CB 4Å; A186-R208 PolarHBondContact N-O 2.89Å; A186-V209 WeakPolarHBondContact O-CA 3.28Å; A186-F210 PolarHBondContact O-N 3.41Å; A186-I264 WeakPolarHBondContact CA-O 3.37Å; A186-I264 HydrophobicContact CB-CG2 3.91Å
187T98.9Very high97.7Very high0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-112.6122.8166.1-68.30000108.7I189 F210 L257 P262 I264 I265 V266T187-I189 HydrophobicContact CG2-CG1 4.03Å; T187-F210 CarbonylContact C-O 3.52Å; T187-F210 VanDerWaalsContact CA-O 3.31Å; T187-F210 WeakPolarHBondContact CA-O 3.44Å; T187-F210 HydrophobicContact CG2-CD1 4.02Å; T187-L257 HydrophobicContact CG2-CD2 4.34Å; T187-P262 WeakPolarHBondContact OG1-CB 3.48Å; T187-P262 WeakPolarHBondContact OG1-CG 3.13Å; T187-I264 PolarHBondContact N-O 3.4Å; T187-I265 CarbonylContact O-C 3.55Å; T187-I265 WeakPolarHBondContact O-CA 3.36Å; T187-V266 PolarHBondContact O-N 2.81Å
188I98.9Very high97.7Very high0 Ų029.7 Ų29.70%016%0.159CC..EExtended strand (participates in β ladder)trans-89.3126.4168.3-56.1176.5000107.5I169 I173 D190 H199 F203 V209 F210 I211 M212 V266I169-I188 HydrophobicContact CG2-CD1 3.95Å; I173-I188 HydrophobicContact CD1-CD1 3.62Å; I173-I188 HydrophobicContact CD1-CG1 3.72Å; I188-D190 HydrophobicContact CG2-CB 4.46Å; I188-H199 HydrophobicContact CD1-CB 4.23Å; I188-H199 VanDerWaalsContact CD1-CD2 3.47Å; I188-H199 WeakPolarHBondContact CD1-CD2 3.44Å; I188-F203 HydrophobicContact CD1-CD2 4.14Å; I188-F203 HydrophobicContact CD1-CE2 4.21Å; I188-V209 HydrophobicContact CD1-CG1 3.86Å; I188-V209 HydrophobicContact CG1-CG1 4.01Å; I188-F210 PolarHBondContact N-O 3.17Å; I188-I211 HydrophobicContact CB-CG1 4.45Å; I188-I211 HydrophobicContact CD1-CG1 4.28Å; I188-M212 PolarHBondContact O-N 2.86Å; I188-V266 VanDerWaalsContact CA-O 3.32Å; I188-V266 WeakPolarHBondContact CA-O 3.42Å; I188-V266 HydrophobicContact CG1-CB 4.46Å
189I98.9Very high97.8Very high1 Ų126.4 Ų26.41%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-112.8103.9166.9-60.7179.8000105.5T187 L191 M212 I265 V266 Y267 N268 V296T187-I189 HydrophobicContact CG2-CG1 4.03Å; I189-L191 HydrophobicContact CG2-CD1 4.3Å; I189-L191 HydrophobicContact CG2-CD2 4.19Å; I189-L191 HydrophobicContact CG2-CG 3.95Å; I189-M212 HydrophobicContact CG2-CE 4.44Å; I189-M212 HydrophobicContact CG2-SD 4.34Å; I189-I265 HydrophobicContact CD1-CG2 4.02Å; I189-I265 HydrophobicContact CG1-CG2 4.25Å; I189-V266 PolarHBondContact N-O 3.32Å; I189-Y267 HydrophobicContact CB-CD2 4.26Å; I189-Y267 HydrophobicContact CG2-CD2 4.13Å; I189-Y267 HydrophobicContact CG2-CE2 4.46Å; I189-Y267 WeakPolarHBondContact O-CA 3.45Å; I189-Y267 WeakPolarHBondContact O-CD2 3.44Å; I189-N268 PolarHBondContact O-N 3.39Å; I189-V296 HydrophobicContact CD1-CG1 4.22Å
190D98.9Very high98Very high0 Ų023.7 Ų23.70%013%0.133CC..EExtended strand (participates in β ladder)trans-100118.7175.5-161-15.8000110.2H153 I188 D192 H199 M212 D213 M214 N268H153-D190 IonicContact CE1-OD2 2.82Å; H153-D190 IonicContact CG-OD2 2.89Å; H153-D190 IonicContact ND1-OD1 3.78Å; H153-D190 IonicContact ND1-OD2 2.61Å; H153-D190 PolarHBondContact ND1-OD2 2.96Å; I188-D190 HydrophobicContact CG2-CB 4.46Å; D190-D192 WeakPolarHBondContact OD1-CB 3.32Å; D190-D192 PolarHBondContact OD1-N 2.91Å; D190-H199 IonicContact OD2-CE1 3.55Å; D190-H199 PolarHBondContact OD2-CE1 3.09Å; D190-H199 VanDerWaalsContact OD2-CE1 3.31Å; D190-M212 PolarHBondContact N-O 2.83Å; D190-D213 HydrophobicContact CB-CB 4.43Å; D190-M214 PolarHBondContact O-N 3.26Å; D190-N268 HydrophobicContact CB-CB 4.25Å; D190-N268 VanDerWaalsContact CG-ND2 3.31Å; D190-N268 WeakPolarHBondContact OD1-CB 3.46Å; D190-N268 PolarHBondContact OD1-ND2 2.78Å; D190-N268 PolarHBondContact OD2-ND2 2.99Å
191L98.9Very high98.1Very high0 Ų026.8 Ų26.80%014%0.141CC..  trans-123.619.3179.1-58.9-174.8000111.9I189 M212 M214 V249 Y267 N268 R292 V296I189-L191 HydrophobicContact CG2-CD1 4.3Å; I189-L191 HydrophobicContact CG2-CD2 4.19Å; I189-L191 HydrophobicContact CG2-CG 3.95Å; L191-M212 HydrophobicContact CD2-CE 4.09Å; L191-M214 HydrophobicContact CD2-CB 3.75Å; L191-M214 HydrophobicContact CD2-CG 4.43Å; L191-M214 HydrophobicContact CD2-SD 4.45Å; L191-V249 HydrophobicContact CD1-CG1 3.88Å; L191-V249 HydrophobicContact CD1-CG2 4.06Å; L191-V249 HydrophobicContact CD2-CG2 4.27Å; L191-Y267 HydrophobicContact CB-CE2 4.12Å; L191-Y267 HydrophobicContact CD1-CE2 3.62Å; L191-Y267 HydrophobicContact CG-CE2 3.86Å; L191-N268 PolarHBondContact N-O 3.48Å; L191-R292 HydrophobicContact CD1-CG 3.53Å; L191-R292 PolarHBondContact O-NH1 2.91Å; L191-V296 HydrophobicContact CD1-CG2 3.91Å
192D98.6Very high98.4Very high0 Ų019.6 Ų19.60%011%0.109CC..SBendtrans-65.8152.5162.8-170.3-78.6000110.2H153 D190 H194 G270 S312 G313H153-D192 VanDerWaalsContact CE1-CB 3.49Å; H153-D192 WeakPolarHBondContact CE1-CB 3.36Å; H153-D192 IonicContact CE1-OD1 3.6Å; H153-D192 PolarHBondContact CE1-OD1 3.29Å; H153-D192 VanDerWaalsContact CE1-OD1 3.27Å; H153-D192 IonicContact NE2-OD1 3.01Å; D190-D192 WeakPolarHBondContact OD1-CB 3.32Å; D190-D192 PolarHBondContact OD1-N 2.91Å; D192-H194 PolarHBondContact O-N 2.67Å; D192-H194 IonicContact OD1-CG 2.78Å; D192-H194 PolarHBondContact OD1-N 2.93Å; D192-H194 IonicContact OD1-ND1 3.23Å; D192-H194 PolarHBondContact OD1-ND1 3.38Å; D192-G270 WeakPolarHBondContact OD2-CA 3.42Å; D192-S312 PolarHBondContact OD2-OG 3.24Å; D192-G313 WeakPolarHBondContact OD2-CA 3.44Å; D192-G313 PolarHBondContact OD2-N 3.49Å; D192-G313 VanDerWaalsContact OD2-N 3.13Å
193A98.4Very high98.6Very high0 Ų016.9 Ų16.90%08%0.08CC..SBendtrans-64.9-24.7-178.800000112.6Y215 N216 I219 D272 I273A193-Y215 WeakPolarHBondContact O-CB 3.36Å; A193-N216 PolarHBondContact O-N 3.14Å; A193-I219 HydrophobicContact CB-CD1 4.24Å; A193-D272 HydrophobicContact CB-CB 4.27Å; A193-D272 WeakPolarHBondContact CB-OD1 3.39Å; A193-D272 PolarHBondContact N-OD1 2.84Å; A193-I273 HydrophobicContact CB-CG2 3.83Å
194H98.6Very high98.6Very high10 Ų1018.9 Ų18.95%0.0469%0.09CC..SBendtrans-97.3149-179.1-53.482000111.6H153 D192 G196 Y220 D272H153-H194 PolarHBondContact CE1-O 2.86Å; H153-H194 VanDerWaalsContact CE1-O 3.28Å; D192-H194 PolarHBondContact O-N 2.67Å; D192-H194 IonicContact OD1-CG 2.78Å; D192-H194 PolarHBondContact OD1-N 2.93Å; D192-H194 IonicContact OD1-ND1 3.23Å; D192-H194 PolarHBondContact OD1-ND1 3.38Å; H194-G196 PolarHBondContact O-N 3.49Å; H194-Y220 PolarHBondContact CD2-O 3.27Å; H194-D272 IonicContact CE1-OD2 3.69Å; H194-D272 PolarHBondContact CE1-OD2 3.38Å; H194-D272 IonicContact ND1-OD2 3.12Å; H194-D272 PolarHBondContact ND1-OD2 2.87Å
195Q98.4Very high98.6Very high2 Ų219.2 Ų19.21%0.00910%0.104CC..  trans-61.7130.3172.2-178.4-160.5-2100110.7H154 N197 E200 D213 Y215 P221 D223 K227H154-Q195 PolarHBondContact CE1-O 3.36Å; H154-Q195 PolarHBondContact ND1-O 3.13Å; Q195-N197 PolarHBondContact O-N 3.33Å; Q195-E200 VanDerWaalsContact CG-OE1 3.23Å; Q195-E200 WeakPolarHBondContact CG-OE1 3.38Å; Q195-E200 PolarHBondContact NE2-OE2 3.23Å; Q195-D213 WeakPolarHBondContact CA-OD2 3.46Å; Q195-Y215 HydrophobicContact CB-CD1 4.26Å; Q195-Y215 HydrophobicContact CB-CD2 3.78Å; Q195-Y215 HydrophobicContact CB-CE1 4.3Å; Q195-Y215 HydrophobicContact CB-CE2 3.84Å; Q195-Y215 HydrophobicContact CB-CG 3.99Å; Q195-Y215 HydrophobicContact CG-CE1 4.18Å; Q195-Y215 HydrophobicContact CG-CE2 4.25Å; Q195-P221 HydrophobicContact CB-CG 4.05Å; Q195-D223 PolarHBondContact NE2-O 3.31Å; Q195-D223 VanDerWaalsContact NE2-O 3.09Å; Q195-K227 HydrophobicContact CG-CG 4.49Å
196G98.4Very high98.6Very high0 Ų016 Ų160%09%0.094CC..  trans-75.851179.700000114.7H153 H194 G198 H199 E200 D213H153-G196 CarbonylContact O-C 3.6Å; H153-G196 VanDerWaalsContact O-C 3.28Å; H194-G196 PolarHBondContact O-N 3.49Å; G196-G198 PolarHBondContact O-N 3.19Å; G196-H199 PolarHBondContact O-CE1 2.99Å; G196-H199 VanDerWaalsContact O-CE1 3.31Å; G196-H199 PolarHBondContact O-N 3.14Å; G196-H199 PolarHBondContact O-ND1 2.85Å; G196-E200 WeakPolarHBondContact O-CG 3.4Å; G196-E200 PolarHBondContact O-N 2.56Å; G196-D213 PolarHBondContact N-OD2 2.83Å
197N98.6Very high98.5Very high14 Ų1422 Ų228%0.07513%0.131CC..Hα-helixtrans-59-20.7-168.270.8-43.5000115.7H154 Q195 R201 P221 D223 A226H154-N197 WeakPolarHBondContact CA-OD1 3.15Å; H154-N197 PolarHBondContact ND1-OD1 2.99Å; Q195-N197 PolarHBondContact O-N 3.33Å; N197-R201 WeakPolarHBondContact O-CB 3.46Å; N197-R201 WeakPolarHBondContact O-CD 3.47Å; N197-R201 WeakPolarHBondContact O-CG 3.4Å; N197-R201 PolarHBondContact O-N 3.27Å; N197-R201 VanDerWaalsContact O-N 3.14Å; N197-P221 HydrophobicContact CB-CG 3.73Å; N197-D223 HydrophobicContact CB-CB 3.82Å; N197-D223 PolarHBondContact ND2-OD2 3Å; N197-A226 HydrophobicContact CB-CB 3.91Å
198G98.6Very high98.4Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-67.1-60.8178.100000112.2H153 C155 G196 E200 R201 D202H153-G198 WeakPolarHBondContact O-CA 3.22Å; H153-G198 PolarHBondContact O-N 2.67Å; C155-G198 CarbonylContact O-C 3.55Å; C155-G198 VanDerWaalsContact O-CA 3.27Å; C155-G198 WeakPolarHBondContact O-CA 3.21Å; G196-G198 PolarHBondContact O-N 3.19Å; G198-E200 VanDerWaalsContact C-N 3.3Å; G198-E200 PolarHBondContact O-N 3.11Å; G198-R201 WeakPolarHBondContact O-CB 3.49Å; G198-R201 PolarHBondContact O-N 3.38Å; G198-D202 PolarHBondContact O-N 3.16Å; G198-D202 VanDerWaalsContact O-N 3.16Å
199H98.5Very high98.4Very high1 Ų127.4 Ų27.41%0.00515%0.152CC..Hα-helixtrans-68.9-30.6179.568.9-104.5000111.8I169 I188 D190 G196 R201 D202 F203I169-H199 HydrophobicContact CG2-CB 4.18Å; I188-H199 HydrophobicContact CD1-CB 4.23Å; I188-H199 VanDerWaalsContact CD1-CD2 3.47Å; I188-H199 WeakPolarHBondContact CD1-CD2 3.44Å; D190-H199 IonicContact OD2-CE1 3.55Å; D190-H199 PolarHBondContact OD2-CE1 3.09Å; D190-H199 VanDerWaalsContact OD2-CE1 3.31Å; G196-H199 PolarHBondContact O-CE1 2.99Å; G196-H199 VanDerWaalsContact O-CE1 3.31Å; G196-H199 PolarHBondContact O-N 3.14Å; G196-H199 PolarHBondContact O-ND1 2.85Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 PolarHBondContact O-N 3.28Å; H199-D202 PolarHBondContact O-N 2.93Å; H199-F203 HydrophobicContact CB-CD2 4.33Å; H199-F203 HydrophobicContact CB-CE2 4.47Å; H199-F203 VanDerWaalsContact O-CD2 3.23Å; H199-F203 WeakPolarHBondContact O-CD2 3.47Å; H199-F203 PolarHBondContact O-N 2.91Å
200E98.7Very high98.4Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-59-42.7171.3-74176.5-177.500112.8Q195 G196 G198 L204 I211 D213 A226 K227 A229 I230Q195-E200 VanDerWaalsContact CG-OE1 3.23Å; Q195-E200 WeakPolarHBondContact CG-OE1 3.38Å; Q195-E200 PolarHBondContact NE2-OE2 3.23Å; G196-E200 WeakPolarHBondContact O-CG 3.4Å; G196-E200 PolarHBondContact O-N 2.56Å; G198-E200 VanDerWaalsContact C-N 3.3Å; G198-E200 PolarHBondContact O-N 3.11Å; E200-L204 PolarHBondContact O-N 3.41Å; E200-L204 VanDerWaalsContact O-N 3.08Å; E200-I211 HydrophobicContact CG-CD1 4.34Å; E200-I211 HydrophobicContact CG-CG2 4.44Å; E200-D213 VanDerWaalsContact OE1-OD2 3.04Å; E200-A226 HydrophobicContact CB-CB 3.89Å; E200-A226 WeakPolarHBondContact OE2-CB 3.48Å; E200-K227 PolarHBondContact OE2-N 2.64Å; E200-A229 HydrophobicContact CB-CB 4.1Å; E200-A229 WeakPolarHBondContact O-CB 3.46Å; E200-I230 HydrophobicContact CG-CG1 4.04Å; E200-I230 WeakPolarHBondContact OE1-CD1 3.23Å; E200-I230 WeakPolarHBondContact OE1-CG1 3.47Å
201R98.6Very high98.4Very high95 Ų9528.1 Ų28.136%0.35816%0.155SC..Hα-helixtrans-64.2-46.3175.5-79172.6171.8-78-4.3111.3N197 G198 H199 F203 L204 D223 A226N197-R201 WeakPolarHBondContact O-CB 3.46Å; N197-R201 WeakPolarHBondContact O-CD 3.47Å; N197-R201 WeakPolarHBondContact O-CG 3.4Å; N197-R201 PolarHBondContact O-N 3.27Å; N197-R201 VanDerWaalsContact O-N 3.14Å; G198-R201 WeakPolarHBondContact O-CB 3.49Å; G198-R201 PolarHBondContact O-N 3.38Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 PolarHBondContact O-N 3.28Å; R201-F203 VanDerWaalsContact C-N 3.29Å; R201-F203 PolarHBondContact O-N 3.24Å; R201-L204 WeakPolarHBondContact O-CB 3.32Å; R201-L204 PolarHBondContact O-N 3.17Å; R201-D223 IonicContact CZ-OD1 2.77Å; R201-D223 IonicContact CZ-OD2 2.65Å; R201-D223 IonicContact NE-OD1 3.8Å; R201-D223 IonicContact NE-OD2 2.85Å; R201-D223 PolarHBondContact NE-OD2 3.41Å; R201-D223 IonicContact NH2-OD1 3.65Å; R201-D223 PolarHBondContact NH2-OD1 2.9Å; R201-D223 IonicContact NH2-OD2 3.14Å; R201-D223 PolarHBondContact NH2-OD2 2.96Å; R201-A226 HydrophobicContact CG-CB 3.74Å
202D98.7Very high98.4Very high44 Ų4428.1 Ų28.124%0.23516%0.155CC..Hα-helixtrans-65.1-32.5-176.3-71.2-18.7000113S156 G157 T170 G198 H199S156-D202 WeakPolarHBondContact CA-OD1 3.3Å; S156-D202 WeakPolarHBondContact CA-OD2 3.23Å; S156-D202 WeakPolarHBondContact CB-OD1 3.25Å; G157-D202 PolarHBondContact N-OD1 3.25Å; G157-D202 PolarHBondContact N-OD2 3.45Å; T170-D202 WeakPolarHBondContact CB-OD2 3.42Å; T170-D202 HydrophobicContact CG2-CB 3.59Å; T170-D202 VanDerWaalsContact CG2-OD2 3.28Å; T170-D202 WeakPolarHBondContact CG2-OD2 3.43Å; T170-D202 PolarHBondContact OG1-OD2 3.27Å; G198-D202 PolarHBondContact O-N 3.16Å; G198-D202 VanDerWaalsContact O-N 3.16Å; H199-D202 PolarHBondContact O-N 2.93Å
203F98.8Very high98.4Very high5 Ų528.1 Ų28.12%0.02216%0.155CC..THydrogen-bonded Turntrans-103.610.1-179.7-65.4-63.1000114.1T170 I173 K174 I188 H199 R201 G205 D206 V209 I211T170-F203 HydrophobicContact CG2-CE1 4.45Å; T170-F203 HydrophobicContact CG2-CE2 3.88Å; T170-F203 HydrophobicContact CG2-CZ 3.71Å; I173-F203 HydrophobicContact CB-CE2 4.49Å; I173-F203 HydrophobicContact CB-CZ 3.82Å; I173-F203 HydrophobicContact CD1-CE2 3.87Å; I173-F203 HydrophobicContact CD1-CZ 4.03Å; I173-F203 HydrophobicContact CG2-CE1 4.02Å; I173-F203 HydrophobicContact CG2-CZ 3.67Å; K174-F203 HydrophobicContact CD-CE1 4.35Å; I188-F203 HydrophobicContact CD1-CD2 4.14Å; I188-F203 HydrophobicContact CD1-CE2 4.21Å; H199-F203 HydrophobicContact CB-CD2 4.33Å; H199-F203 HydrophobicContact CB-CE2 4.47Å; H199-F203 VanDerWaalsContact O-CD2 3.23Å; H199-F203 WeakPolarHBondContact O-CD2 3.47Å; H199-F203 PolarHBondContact O-N 2.91Å; R201-F203 VanDerWaalsContact C-N 3.29Å; R201-F203 PolarHBondContact O-N 3.24Å; F203-G205 PolarHBondContact O-N 3.37Å; F203-D206 HydrophobicContact CB-CB 4.45Å; F203-D206 HydrophobicContact CD1-CB 4.2Å; F203-D206 PolarHBondContact O-N 3.29Å; F203-V209 HydrophobicContact CB-CB 4.16Å; F203-V209 HydrophobicContact CB-CG1 4.29Å; F203-V209 HydrophobicContact CD1-CB 3.98Å; F203-V209 HydrophobicContact CD1-CG1 4.4Å; F203-V209 HydrophobicContact CD1-CG2 3.47Å; F203-V209 VanDerWaalsContact CD1-CG2 3.47Å; F203-V209 HydrophobicContact CD2-CB 4.48Å; F203-V209 HydrophobicContact CD2-CG1 4.04Å; F203-V209 HydrophobicContact CD2-CG2 4.43Å; F203-V209 HydrophobicContact CE1-CG2 3.61Å; F203-V209 HydrophobicContact CG-CB 3.96Å; F203-V209 HydrophobicContact CG-CG1 3.99Å; F203-V209 HydrophobicContact CG-CG2 3.92Å; F203-V209 HydrophobicContact CZ-CG2 4.19Å; F203-I211 HydrophobicContact CB-CD1 4.2Å
204L98.4Very high98.4Very high60 Ų6028.1 Ų28.131%0.31416%0.155SC..THydrogen-bonded Turntrans-59111.5176.6-178.266.6000110.6E200 R201 H225 R228 A229E200-L204 PolarHBondContact O-N 3.41Å; E200-L204 VanDerWaalsContact O-N 3.08Å; R201-L204 WeakPolarHBondContact O-CB 3.32Å; R201-L204 PolarHBondContact O-N 3.17Å; L204-H225 VanDerWaalsContact CD2-NE2 3.34Å; L204-H225 WeakPolarHBondContact CD2-NE2 3.07Å; L204-R228 HydrophobicContact CD1-CB 3.86Å; L204-A229 HydrophobicContact CB-CB 4.25Å; L204-A229 HydrophobicContact CD1-CB 3.83Å
205G97.3Very high98.4Very high71 Ų7127.8 Ų27.873%0.73215%0.154SC*.THydrogen-bonded Turntrans89.2-4.3-178.800000115.2F203 T207F203-G205 PolarHBondContact O-N 3.37Å; G205-T207 PolarHBondContact O-N 2.85Å
206D98Very high98.4Very high32 Ų3227.7 Ų27.717%0.17115%0.153CC..  trans-81.6104.9174.5-165.6-24.3000110.1K174 F203 R208 V209K174-D206 IonicContact NZ-OD2 3.75Å; K174-D206 PolarHBondContact NZ-OD2 2.84Å; F203-D206 HydrophobicContact CB-CB 4.45Å; F203-D206 HydrophobicContact CD1-CB 4.2Å; F203-D206 PolarHBondContact O-N 3.29Å; D206-R208 PolarHBondContact O-N 3.34Å; D206-R208 VanDerWaalsContact O-N 3.15Å; D206-R208 VanDerWaalsContact OD1-CB 3.25Å; D206-R208 WeakPolarHBondContact OD1-CB 3.44Å; D206-R208 IonicContact OD1-CZ 2.85Å; D206-R208 PolarHBondContact OD1-N 3.13Å; D206-R208 VanDerWaalsContact OD1-N 3.1Å; D206-R208 IonicContact OD1-NE 3.79Å; D206-R208 PolarHBondContact OD1-NE 3.26Å; D206-R208 IonicContact OD1-NH2 3.15Å; D206-R208 IonicContact OD2-CZ 3.66Å; D206-R208 IonicContact OD2-NE 3.3Å; D206-R208 PolarHBondContact OD2-NE 2.91Å; D206-R208 IonicContact OD2-NH2 3.39Å; D206-R208 PolarHBondContact OD2-NH2 3.02Å; D206-V209 PolarHBondContact O-N 2.9Å
207T96.6Very high98.4Very high127 Ų12731 Ų3178%0.77917%0.169SC*.THydrogen-bonded Turntrans-70.1-8.7-177.157.70000113.9G205 V209G205-T207 PolarHBondContact O-N 2.85Å; T207-V209 VanDerWaalsContact C-N 3.31Å
208R98.3Very high98.3Very high106 Ų10634 Ų3440%0.419%0.185SC..THydrogen-bonded Turntrans-77.6-18.9175.9-63.4175.5-63.71741.6112.6F177 S184 R185 A186 D206F177-R208 HydrophobicContact CE2-CB 3.9Å; F177-R208 HydrophobicContact CZ-CB 4.06Å; S184-R208 WeakPolarHBondContact O-CB 3.38Å; S184-R208 WeakPolarHBondContact O-CG 3.46Å; R185-R208 VanDerWaalsContact CA-O 3.24Å; R185-R208 WeakPolarHBondContact CA-O 3.14Å; A186-R208 PolarHBondContact N-O 2.89Å; D206-R208 PolarHBondContact O-N 3.34Å; D206-R208 VanDerWaalsContact O-N 3.15Å; D206-R208 VanDerWaalsContact OD1-CB 3.25Å; D206-R208 WeakPolarHBondContact OD1-CB 3.44Å; D206-R208 IonicContact OD1-CZ 2.85Å; D206-R208 PolarHBondContact OD1-N 3.13Å; D206-R208 VanDerWaalsContact OD1-N 3.1Å; D206-R208 IonicContact OD1-NE 3.79Å; D206-R208 PolarHBondContact OD1-NE 3.26Å; D206-R208 IonicContact OD1-NH2 3.15Å; D206-R208 IonicContact OD2-CZ 3.66Å; D206-R208 IonicContact OD2-NE 3.3Å; D206-R208 PolarHBondContact OD2-NE 2.91Å; D206-R208 IonicContact OD2-NH2 3.39Å; D206-R208 PolarHBondContact OD2-NH2 3.02Å
209V98.8Very high98.3Very high7 Ų735.2 Ų35.24%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-113.4118.9-178.7-175.70000109.9I173 F177 A186 I188 F203 D206 T207 I211I173-V209 HydrophobicContact CG2-CG2 4.04Å; F177-V209 HydrophobicContact CE2-CG2 3.89Å; F177-V209 HydrophobicContact CZ-CG2 4.02Å; A186-V209 WeakPolarHBondContact O-CA 3.28Å; I188-V209 HydrophobicContact CD1-CG1 3.86Å; I188-V209 HydrophobicContact CG1-CG1 4.01Å; F203-V209 HydrophobicContact CB-CB 4.16Å; F203-V209 HydrophobicContact CB-CG1 4.29Å; F203-V209 HydrophobicContact CD1-CB 3.98Å; F203-V209 HydrophobicContact CD1-CG1 4.4Å; F203-V209 HydrophobicContact CD1-CG2 3.47Å; F203-V209 VanDerWaalsContact CD1-CG2 3.47Å; F203-V209 HydrophobicContact CD2-CB 4.48Å; F203-V209 HydrophobicContact CD2-CG1 4.04Å; F203-V209 HydrophobicContact CD2-CG2 4.43Å; F203-V209 HydrophobicContact CE1-CG2 3.61Å; F203-V209 HydrophobicContact CG-CB 3.96Å; F203-V209 HydrophobicContact CG-CG1 3.99Å; F203-V209 HydrophobicContact CG-CG2 3.92Å; F203-V209 HydrophobicContact CZ-CG2 4.19Å; D206-V209 PolarHBondContact O-N 2.9Å; T207-V209 VanDerWaalsContact C-N 3.31Å; V209-I211 HydrophobicContact CG1-CG1 4.07Å
210F98.8Very high98.2Very high15 Ų1540 Ų407%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-94.3129.2170.5-173.4-80.1000108.9A186 T187 I188 M212 K231 R232 E259 V260A186-F210 PolarHBondContact O-N 3.41Å; T187-F210 CarbonylContact C-O 3.52Å; T187-F210 VanDerWaalsContact CA-O 3.31Å; T187-F210 WeakPolarHBondContact CA-O 3.44Å; T187-F210 HydrophobicContact CG2-CD1 4.02Å; I188-F210 PolarHBondContact N-O 3.17Å; F210-M212 HydrophobicContact CE1-CB 4.37Å; F210-K231 HydrophobicContact CD1-CB 4.48Å; F210-K231 HydrophobicContact CD2-CB 3.77Å; F210-K231 HydrophobicContact CD2-CG 3.98Å; F210-K231 HydrophobicContact CE1-CB 4.17Å; F210-K231 HydrophobicContact CE2-CB 3.43Å; F210-K231 VanDerWaalsContact CE2-CB 3.43Å; F210-K231 HydrophobicContact CE2-CG 4.1Å; F210-K231 HydrophobicContact CG-CB 4.31Å; F210-K231 HydrophobicContact CZ-CB 3.65Å; F210-R232 HydrophobicContact CE1-CB 4Å; F210-R232 HydrophobicContact CZ-CB 3.99Å; F210-E259 HydrophobicContact CE2-CB 4.35Å; F210-E259 VanDerWaalsContact CE2-OE2 3.3Å; F210-E259 WeakPolarHBondContact CE2-OE2 3.47Å; F210-E259 WeakPolarHBondContact CZ-OE2 3.42Å; F210-V260 HydrophobicContact CB-CB 4.44Å; F210-V260 HydrophobicContact CB-CG1 4.44Å; F210-V260 HydrophobicContact CB-CG2 4.33Å; F210-V260 HydrophobicContact CD2-CB 4.24Å; F210-V260 HydrophobicContact CD2-CG2 3.57Å; F210-V260 HydrophobicContact CE2-CG2 4.2Å; F210-V260 HydrophobicContact CG-CB 4.46Å; F210-V260 HydrophobicContact CG-CG2 4.21Å
211I98.9Very high98.1Very high1 Ų141.4 Ų41.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-114.4119.2179.5-56.8173.8000109I188 E200 F203 V209 D213 A229 I230 K231 R232I188-I211 HydrophobicContact CB-CG1 4.45Å; I188-I211 HydrophobicContact CD1-CG1 4.28Å; E200-I211 HydrophobicContact CG-CD1 4.34Å; E200-I211 HydrophobicContact CG-CG2 4.44Å; F203-I211 HydrophobicContact CB-CD1 4.2Å; V209-I211 HydrophobicContact CG1-CG1 4.07Å; I211-D213 HydrophobicContact CG2-CB 4.41Å; I211-A229 HydrophobicContact CD1-CB 4.06Å; I211-I230 HydrophobicContact CG2-CG2 4.38Å; I211-K231 PolarHBondContact O-N 3.44Å; I211-R232 PolarHBondContact O-N 3.08Å; I211-R232 VanDerWaalsContact O-N 3.09Å
212M98.8Very high97.9Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-103.3125.7159.3173.4-179.3157.900108.1I188 I189 D190 L191 F210 R232 H252 S256I188-M212 PolarHBondContact O-N 2.86Å; I189-M212 HydrophobicContact CG2-CE 4.44Å; I189-M212 HydrophobicContact CG2-SD 4.34Å; D190-M212 PolarHBondContact N-O 2.83Å; L191-M212 HydrophobicContact CD2-CE 4.09Å; F210-M212 HydrophobicContact CE1-CB 4.37Å; M212-R232 VanDerWaalsContact CA-O 3.32Å; M212-R232 WeakPolarHBondContact CA-O 3.47Å; M212-R232 HydrophobicContact CB-CB 4.19Å; M212-R232 HydrophobicContact CG-CB 4.29Å; M212-R232 HydrophobicContact CG-CG 4.33Å; M212-H252 HydrophobicContact CE-CB 3.4Å; M212-H252 VanDerWaalsContact CE-CB 3.4Å; M212-H252 HydrophobicContact SD-CB 3.82Å; M212-S256 PolarHBondContact SD-OG 2.82Å
213D98.9Very high97.9Very high0 Ų038.1 Ų38.10%022%0.219CC..EExtended strand (participates in β ladder)trans-132.5126.8176.3-167.1-8.9000109.3D190 Q195 G196 E200 I211 Y215 I230 R232 V234D190-D213 HydrophobicContact CB-CB 4.43Å; Q195-D213 WeakPolarHBondContact CA-OD2 3.46Å; G196-D213 PolarHBondContact N-OD2 2.83Å; E200-D213 VanDerWaalsContact OE1-OD2 3.04Å; I211-D213 HydrophobicContact CG2-CB 4.41Å; D213-Y215 HydrophobicContact CB-CD1 4.13Å; D213-Y215 HydrophobicContact CB-CE1 4.28Å; D213-Y215 VanDerWaalsContact CG-CD1 3.47Å; D213-Y215 VanDerWaalsContact OD1-CD1 3.28Å; D213-Y215 WeakPolarHBondContact OD1-CD1 3.44Å; D213-I230 HydrophobicContact CB-CD1 4.19Å; D213-I230 HydrophobicContact CB-CG1 4.35Å; D213-I230 HydrophobicContact CB-CG2 3.99Å; D213-R232 PolarHBondContact N-O 3.25Å; D213-R232 VanDerWaalsContact N-O 3.13Å; D213-V234 PolarHBondContact O-N 3.11Å
214M98.8Very high97.8Very high0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-126.7102-179.1177.7165.7148.700110.7D190 L191 V234 L236 Y245 K248 V249D190-M214 PolarHBondContact O-N 3.26Å; L191-M214 HydrophobicContact CD2-CB 3.75Å; L191-M214 HydrophobicContact CD2-CG 4.43Å; L191-M214 HydrophobicContact CD2-SD 4.45Å; M214-V234 VanDerWaalsContact CA-O 3.29Å; M214-V234 WeakPolarHBondContact CA-O 3.29Å; M214-V234 HydrophobicContact CB-CB 3.81Å; M214-V234 HydrophobicContact CB-CG1 4.4Å; M214-V234 HydrophobicContact CB-CG2 4.38Å; M214-V234 HydrophobicContact CG-CB 3.77Å; M214-V234 HydrophobicContact CG-CG1 3.8Å; M214-V234 HydrophobicContact SD-CB 4.16Å; M214-V234 HydrophobicContact SD-CG1 3.78Å; M214-L236 HydrophobicContact CE-CD1 3.68Å; M214-L236 HydrophobicContact CE-CD2 3.82Å; M214-L236 HydrophobicContact CE-CG 4.25Å; M214-L236 HydrophobicContact CG-CD1 3.81Å; M214-L236 HydrophobicContact CG-CD2 4.19Å; M214-L236 HydrophobicContact CG-CG 4Å; M214-L236 HydrophobicContact SD-CD2 4.47Å; M214-Y245 HydrophobicContact CE-CD1 4.49Å; M214-Y245 HydrophobicContact CE-CD2 3.35Å; M214-Y245 HydrophobicContact CE-CE2 3.46Å; M214-Y245 VanDerWaalsContact CE-CE2 3.46Å; M214-Y245 HydrophobicContact CE-CG 3.89Å; M214-Y245 WeakPolarHBondContact CE-O 3.42Å; M214-K248 HydrophobicContact CE-CB 3.68Å; M214-K248 HydrophobicContact CE-CD 4.5Å; M214-K248 HydrophobicContact SD-CB 3.76Å; M214-V249 HydrophobicContact CE-CG2 3.71Å; M214-V249 HydrophobicContact SD-CG2 4.01Å
215Y98.7Very high97.7Very high3 Ų349.5 Ų49.51%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-141.6161.6-166.160.6-84.3000111.8A193 Q195 D213 H217 K227 I230 K233 V234 E235 L236A193-Y215 WeakPolarHBondContact O-CB 3.36Å; Q195-Y215 HydrophobicContact CB-CD1 4.26Å; Q195-Y215 HydrophobicContact CB-CD2 3.78Å; Q195-Y215 HydrophobicContact CB-CE1 4.3Å; Q195-Y215 HydrophobicContact CB-CE2 3.84Å; Q195-Y215 HydrophobicContact CB-CG 3.99Å; Q195-Y215 HydrophobicContact CG-CE1 4.18Å; Q195-Y215 HydrophobicContact CG-CE2 4.25Å; D213-Y215 HydrophobicContact CB-CD1 4.13Å; D213-Y215 HydrophobicContact CB-CE1 4.28Å; D213-Y215 VanDerWaalsContact CG-CD1 3.47Å; D213-Y215 VanDerWaalsContact OD1-CD1 3.28Å; D213-Y215 WeakPolarHBondContact OD1-CD1 3.44Å; Y215-H217 HydrophobicContact CD2-CB 4.38Å; Y215-H217 HydrophobicContact CE2-CB 3.95Å; Y215-H217 PolarHBondContact O-N 3.31Å; Y215-K227 VanDerWaalsContact OH-CD 3.28Å; Y215-K227 WeakPolarHBondContact OH-CD 3.39Å; Y215-K227 WeakPolarHBondContact OH-CE 3.45Å; Y215-K227 PolarHBondContact OH-NZ 2.99Å; Y215-I230 HydrophobicContact CE1-CD1 4.02Å; Y215-K233 HydrophobicContact CE1-CG 4.14Å; Y215-V234 PolarHBondContact N-O 3.38Å; Y215-E235 HydrophobicContact CE2-CG 4.29Å; Y215-E235 PolarHBondContact OH-OE1 3.17Å; Y215-L236 PolarHBondContact O-N 2.94Å
216N98.5Very high97.8Very high1 Ų146.1 Ų46.11%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-73.2112169.5-178.3-8.4000109.4A193 N218 I219 G280 L282A193-N216 PolarHBondContact O-N 3.14Å; N216-N218 PolarHBondContact O-N 3.06Å; N216-N218 WeakPolarHBondContact OD1-CB 3.42Å; N216-N218 PolarHBondContact OD1-N 3.41Å; N216-N218 VanDerWaalsContact OD1-N 3.12Å; N216-N218 PolarHBondContact OD1-ND2 2.88Å; N216-I219 HydrophobicContact CB-CD1 3.92Å; N216-I219 HydrophobicContact CB-CG1 3.96Å; N216-I219 VanDerWaalsContact O-CG1 3.3Å; N216-I219 WeakPolarHBondContact O-CG1 2.92Å; N216-G280 PolarHBondContact ND2-O 2.84Å; N216-L282 HydrophobicContact CB-CD2 3.98Å; N216-L282 HydrophobicContact CB-CG 4.42Å
217H97.1Very high97.7Very high70 Ų7046.3 Ų46.332%0.32423%0.226SC..THydrogen-bonded Turntrans-77.2-4.7-172.675.6-79.6000114.4Y215 E235 L236 D237Y215-H217 HydrophobicContact CD2-CB 4.38Å; Y215-H217 HydrophobicContact CE2-CB 3.95Å; Y215-H217 PolarHBondContact O-N 3.31Å; H217-E235 HydrophobicContact CB-CB 3.83Å; H217-E235 HydrophobicContact CB-CG 3.74Å; H217-L236 PolarHBondContact N-O 2.77Å; H217-L236 PolarHBondContact ND1-O 3.41Å; H217-D237 IonicContact CE1-OD1 3.72Å; H217-D237 PolarHBondContact CE1-OD1 3.45Å; H217-D237 VanDerWaalsContact CE1-OD1 3.24Å
218N97.6Very high97.8Very high76 Ų7647.4 Ų47.441%0.40622%0.216SC..THydrogen-bonded Turntrans-91.4-8-178.7-61.9-73.1000113.8N216 W238N216-N218 PolarHBondContact O-N 3.06Å; N216-N218 WeakPolarHBondContact OD1-CB 3.42Å; N216-N218 PolarHBondContact OD1-N 3.41Å; N216-N218 VanDerWaalsContact OD1-N 3.12Å; N216-N218 PolarHBondContact OD1-ND2 2.88Å; N218-W238 HydrophobicContact CB-CZ2 4.09Å
219I97.4Very high97.8Very high25 Ų2542.7 Ų42.713%0.12820%0.199CC..SBendtrans-109175.6-177.163.2175.7000112A193 N216 W238 L279A193-I219 HydrophobicContact CB-CD1 4.24Å; N216-I219 HydrophobicContact CB-CD1 3.92Å; N216-I219 HydrophobicContact CB-CG1 3.96Å; N216-I219 VanDerWaalsContact O-CG1 3.3Å; N216-I219 WeakPolarHBondContact O-CG1 2.92Å; I219-W238 HydrophobicContact CG2-CH2 3.33Å; I219-W238 HydrophobicContact CG2-CZ2 3.4Å; I219-W238 VanDerWaalsContact CG2-CZ2 3.4Å; I219-W238 HydrophobicContact CG2-CZ3 4.28Å; I219-L279 WeakPolarHBondContact CD1-O 3.28Å
220Y96Very high97.7Very high102 Ų10243.1 Ų43.140%0.420%0.201SC..THydrogen-bonded Turntrans-47.5141.7174.5172.7-89.7000110.4H154 H194H154-Y220 AromaticContact CD2-CE1 3.83Å; H154-Y220 AromaticContact CE1-CD1 3.89Å; H154-Y220 AromaticContact CE1-CE1 3.58Å; H154-Y220 AromaticContact CG-CE1 3.89Å; H154-Y220 AromaticContact ND1-CE1 3.73Å; H154-Y220 AromaticContact NE2-CD1 3.82Å; H154-Y220 AromaticContact NE2-CE1 3.56Å; H194-Y220 PolarHBondContact CD2-O 3.27Å
221P96.8Very high97.7Very high30 Ų3048.9 Ų48.920%0.19523%0.226CC..THydrogen-bonded Turncis-101-11.31035.9-30.4000116.3Q195 N197 D223Q195-P221 HydrophobicContact CB-CG 4.05Å; N197-P221 HydrophobicContact CB-CG 3.73Å; P221-D223 VanDerWaalsContact C-N 3.26Å; P221-D223 HydrophobicContact CB-CB 4.37Å; P221-D223 HydrophobicContact CG-CB 4.16Å; P221-D223 PolarHBondContact O-N 3.02Å
222G95.4Very high97.7Very high46 Ų4650.7 Ų50.747%0.47423%0.233SC..  trans6327.1-17500000114.7R224G222-R224 PolarHBondContact O-N 3.26Å
223D97.5Very high97.7Very high23 Ų2355.2 Ų55.212%0.12325%0.253CS..  trans-82.684.4-169.4-167-25.7000112.8Q195 N197 R201 P221 H225 A226 K227Q195-D223 PolarHBondContact NE2-O 3.31Å; Q195-D223 VanDerWaalsContact NE2-O 3.09Å; N197-D223 HydrophobicContact CB-CB 3.82Å; N197-D223 PolarHBondContact ND2-OD2 3Å; R201-D223 IonicContact CZ-OD1 2.77Å; R201-D223 IonicContact CZ-OD2 2.65Å; R201-D223 IonicContact NE-OD1 3.8Å; R201-D223 IonicContact NE-OD2 2.85Å; R201-D223 PolarHBondContact NE-OD2 3.41Å; R201-D223 IonicContact NH2-OD1 3.65Å; R201-D223 PolarHBondContact NH2-OD1 2.9Å; R201-D223 IonicContact NH2-OD2 3.14Å; R201-D223 PolarHBondContact NH2-OD2 2.96Å; P221-D223 VanDerWaalsContact C-N 3.26Å; P221-D223 HydrophobicContact CB-CB 4.37Å; P221-D223 HydrophobicContact CG-CB 4.16Å; P221-D223 PolarHBondContact O-N 3.02Å; D223-H225 PolarHBondContact O-N 3.11Å; D223-H225 VanDerWaalsContact O-N 3.14Å; D223-H225 PolarHBondContact OD1-N 3.12Å; D223-A226 HydrophobicContact CB-CB 4Å; D223-A226 PolarHBondContact O-N 3.19Å; D223-A226 PolarHBondContact OD1-N 2.62Å; D223-K227 WeakPolarHBondContact O-CG 3.4Å; D223-K227 PolarHBondContact O-N 3.38Å; D223-K227 VanDerWaalsContact O-N 3.09Å
224R96.6Very high97.6Very high215 Ų21555.5 Ų55.581%0.81125%0.254SS*.THydrogen-bonded Turntrans-58.8-27.1-177.5-62.6-174.9-178-169.1-0.7114.6G222G222-R224 PolarHBondContact O-N 3.26Å
225H97.8Very high97.6Very high89 Ų8958.7 Ų58.741%0.41227%0.269SS..THydrogen-bonded Turntrans-73.6-46.4-179.9-178.9100.6000110.7L204 D223 K227 R228L204-H225 VanDerWaalsContact CD2-NE2 3.34Å; L204-H225 WeakPolarHBondContact CD2-NE2 3.07Å; D223-H225 PolarHBondContact O-N 3.11Å; D223-H225 VanDerWaalsContact O-N 3.14Å; D223-H225 PolarHBondContact OD1-N 3.12Å; H225-K227 VanDerWaalsContact C-N 3.35Å; H225-R228 PolarHBondContact CE1-NH2 2.65Å; H225-R228 PolarHBondContact ND1-NH2 3.38Å; H225-R228 VanDerWaalsContact ND1-NH2 3.14Å; H225-R228 PolarHBondContact NE2-NH2 3.31Å; H225-R228 WeakPolarHBondContact O-CB 3.45Å; H225-R228 PolarHBondContact O-N 2.82Å; H225-R228 PolarHBondContact O-NE 2.78Å
226A97.8Very high97.6Very high0 Ų058.6 Ų58.60%027%0.269CS..G310 helixtrans-62.2-41.5177.500000111.3N197 E200 R201 D223 R228 A229N197-A226 HydrophobicContact CB-CB 3.91Å; E200-A226 HydrophobicContact CB-CB 3.89Å; E200-A226 WeakPolarHBondContact OE2-CB 3.48Å; R201-A226 HydrophobicContact CG-CB 3.74Å; D223-A226 HydrophobicContact CB-CB 4Å; D223-A226 PolarHBondContact O-N 3.19Å; D223-A226 PolarHBondContact OD1-N 2.62Å; A226-R228 PolarHBondContact O-N 2.66Å; A226-A229 WeakPolarHBondContact O-CB 3.43Å; A226-A229 PolarHBondContact O-N 3.21Å
227K96.7Very high97.6Very high37 Ų3762.9 Ų62.916%0.16129%0.292CS..G310 helixtrans-50.1-23.1177.8-73.1-169.7-178-156.50114.9Q195 E200 Y215 D223 H225 A229 I230 E235Q195-K227 HydrophobicContact CG-CG 4.49Å; E200-K227 PolarHBondContact OE2-N 2.64Å; Y215-K227 VanDerWaalsContact OH-CD 3.28Å; Y215-K227 WeakPolarHBondContact OH-CD 3.39Å; Y215-K227 WeakPolarHBondContact OH-CE 3.45Å; Y215-K227 PolarHBondContact OH-NZ 2.99Å; D223-K227 WeakPolarHBondContact O-CG 3.4Å; D223-K227 PolarHBondContact O-N 3.38Å; D223-K227 VanDerWaalsContact O-N 3.09Å; H225-K227 VanDerWaalsContact C-N 3.35Å; K227-A229 PolarHBondContact O-N 2.93Å; K227-I230 HydrophobicContact CB-CD1 4.16Å; K227-I230 HydrophobicContact CG-CD1 4.15Å; K227-I230 WeakPolarHBondContact O-CG1 3.17Å; K227-I230 PolarHBondContact O-N 3.19Å; K227-E235 IonicContact NZ-OE1 3.18Å; K227-E235 PolarHBondContact NZ-OE1 2.91Å
228R98.1Very high97.7Very high150 Ų15066.8 Ų66.857%0.56630%0.304SS*.G310 helixtrans-70.1-17.6178.2-59.7-176.8-57.6169.811.9113.5L204 H225 A226L204-R228 HydrophobicContact CD1-CB 3.86Å; H225-R228 PolarHBondContact CE1-NH2 2.65Å; H225-R228 PolarHBondContact ND1-NH2 3.38Å; H225-R228 VanDerWaalsContact ND1-NH2 3.14Å; H225-R228 PolarHBondContact NE2-NH2 3.31Å; H225-R228 WeakPolarHBondContact O-CB 3.45Å; H225-R228 PolarHBondContact O-N 2.82Å; H225-R228 PolarHBondContact O-NE 2.78Å; A226-R228 PolarHBondContact O-N 2.66Å
229A98.3Very high97.7Very high7 Ų764.7 Ų64.76%0.05830%0.3CS..G310 helixtrans-77.3-27.1175.100000112.1E200 L204 I211 A226 K227 K231E200-A229 HydrophobicContact CB-CB 4.1Å; E200-A229 WeakPolarHBondContact O-CB 3.46Å; L204-A229 HydrophobicContact CB-CB 4.25Å; L204-A229 HydrophobicContact CD1-CB 3.83Å; I211-A229 HydrophobicContact CD1-CB 4.06Å; A226-A229 WeakPolarHBondContact O-CB 3.43Å; A226-A229 PolarHBondContact O-N 3.21Å; K227-A229 PolarHBondContact O-N 2.93Å; A229-K231 PolarHBondContact O-N 3.45Å; A229-K231 VanDerWaalsContact O-N 3.16Å
230I98.4Very high97.8Very high15 Ų1563.7 Ų63.78%0.07730%0.295CS..  trans-66.4114.9-178.2-43.9167.7000109.3E200 I211 D213 Y215 K227 R232 K233E200-I230 HydrophobicContact CG-CG1 4.04Å; E200-I230 WeakPolarHBondContact OE1-CD1 3.23Å; E200-I230 WeakPolarHBondContact OE1-CG1 3.47Å; I211-I230 HydrophobicContact CG2-CG2 4.38Å; D213-I230 HydrophobicContact CB-CD1 4.19Å; D213-I230 HydrophobicContact CB-CG1 4.35Å; D213-I230 HydrophobicContact CB-CG2 3.99Å; Y215-I230 HydrophobicContact CE1-CD1 4.02Å; K227-I230 HydrophobicContact CB-CD1 4.16Å; K227-I230 HydrophobicContact CG-CD1 4.15Å; K227-I230 WeakPolarHBondContact O-CG1 3.17Å; K227-I230 PolarHBondContact O-N 3.19Å; I230-R232 VanDerWaalsContact CG2-C 3.47Å; I230-R232 WeakPolarHBondContact CG2-O 3.48Å; I230-K233 HydrophobicContact CB-CB 4.15Å; I230-K233 HydrophobicContact CD1-CB 4.37Å; I230-K233 HydrophobicContact CD1-CD 4.1Å; I230-K233 HydrophobicContact CD1-CG 3.95Å; I230-K233 HydrophobicContact CG2-CB 3.7Å; I230-K233 HydrophobicContact CG2-CG 4.36Å
231K98.3Very high97.9Very high137 Ų13765.3 Ų65.360%0.59631%0.306SS*.SBendtrans-80.5-36.2176.1-64-56.2-176.5-174.60111.2F210 I211 A229F210-K231 HydrophobicContact CD1-CB 4.48Å; F210-K231 HydrophobicContact CD2-CB 3.77Å; F210-K231 HydrophobicContact CD2-CG 3.98Å; F210-K231 HydrophobicContact CE1-CB 4.17Å; F210-K231 HydrophobicContact CE2-CB 3.43Å; F210-K231 VanDerWaalsContact CE2-CB 3.43Å; F210-K231 HydrophobicContact CE2-CG 4.1Å; F210-K231 HydrophobicContact CG-CB 4.31Å; F210-K231 HydrophobicContact CZ-CB 3.65Å; I211-K231 PolarHBondContact O-N 3.44Å; A229-K231 PolarHBondContact O-N 3.45Å; A229-K231 VanDerWaalsContact O-N 3.16Å
232R98.4Very high98Very high38 Ų3866 Ų6614%0.14331%0.308CS..EExtended strand (participates in β ladder)trans-124.494.4174.1-173.5166.9-69.3-156.2-8.4111.3F210 I211 M212 D213 I230 H252 G255 S256 E259F210-R232 HydrophobicContact CE1-CB 4Å; F210-R232 HydrophobicContact CZ-CB 3.99Å; I211-R232 PolarHBondContact O-N 3.08Å; I211-R232 VanDerWaalsContact O-N 3.09Å; M212-R232 VanDerWaalsContact CA-O 3.32Å; M212-R232 WeakPolarHBondContact CA-O 3.47Å; M212-R232 HydrophobicContact CB-CB 4.19Å; M212-R232 HydrophobicContact CG-CB 4.29Å; M212-R232 HydrophobicContact CG-CG 4.33Å; D213-R232 PolarHBondContact N-O 3.25Å; D213-R232 VanDerWaalsContact N-O 3.13Å; I230-R232 VanDerWaalsContact CG2-C 3.47Å; I230-R232 WeakPolarHBondContact CG2-O 3.48Å; R232-H252 WeakPolarHBondContact CD-O 3.37Å; R232-H252 HydrophobicContact CG-CB 4.4Å; R232-H252 PolarHBondContact NH1-O 2.85Å; R232-G255 VanDerWaalsContact NH2-C 3.26Å; R232-G255 PolarHBondContact NH2-O 3.48Å; R232-S256 VanDerWaalsContact CD-OG 3.31Å; R232-S256 WeakPolarHBondContact CD-OG 3.39Å; R232-S256 VanDerWaalsContact CZ-N 3.34Å; R232-E259 IonicContact CZ-OE1 3.74Å; R232-E259 IonicContact NE-OE1 3.71Å; R232-E259 IonicContact NH2-OE1 3.27Å; R232-E259 PolarHBondContact NH2-OE1 2.7Å
233K98.1Very high98.1Very high95 Ų9568.7 Ų68.741%0.41332%0.32SS..EExtended strand (participates in β ladder)trans-96.3125.4-177.7-174.5-177.259.2140.30110.3Y215 I230 E235Y215-K233 HydrophobicContact CE1-CG 4.14Å; I230-K233 HydrophobicContact CB-CB 4.15Å; I230-K233 HydrophobicContact CD1-CB 4.37Å; I230-K233 HydrophobicContact CD1-CD 4.1Å; I230-K233 HydrophobicContact CD1-CG 3.95Å; I230-K233 HydrophobicContact CG2-CB 3.7Å; I230-K233 HydrophobicContact CG2-CG 4.36Å; K233-E235 HydrophobicContact CD-CG 4.16Å; K233-E235 HydrophobicContact CG-CG 4.11Å; K233-E235 VanDerWaalsContact NZ-CD 3.31Å; K233-E235 IonicContact NZ-OE1 2.62Å; K233-E235 PolarHBondContact NZ-OE1 3.17Å; K233-E235 IonicContact NZ-OE2 3.6Å; K233-E235 PolarHBondContact NZ-OE2 2.93Å
234V98.6Very high98.2Very high6 Ų671.4 Ų71.44%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-122.8103.9177.3-170.90000108.3D213 M214 Y215 L236 K248 H252D213-V234 PolarHBondContact O-N 3.11Å; M214-V234 VanDerWaalsContact CA-O 3.29Å; M214-V234 WeakPolarHBondContact CA-O 3.29Å; M214-V234 HydrophobicContact CB-CB 3.81Å; M214-V234 HydrophobicContact CB-CG1 4.4Å; M214-V234 HydrophobicContact CB-CG2 4.38Å; M214-V234 HydrophobicContact CG-CB 3.77Å; M214-V234 HydrophobicContact CG-CG1 3.8Å; M214-V234 HydrophobicContact SD-CB 4.16Å; M214-V234 HydrophobicContact SD-CG1 3.78Å; Y215-V234 PolarHBondContact N-O 3.38Å; V234-L236 HydrophobicContact CG1-CD2 4.25Å; V234-K248 HydrophobicContact CG1-CB 4.36Å; V234-K248 HydrophobicContact CG1-CD 4.02Å; V234-K248 HydrophobicContact CG1-CG 4.45Å; V234-H252 HydrophobicContact CG2-CB 3.89Å; V234-H252 WeakPolarHBondContact CG2-CD2 3.48Å
235E98.2Very high98.3Very high68 Ų6861.1 Ų61.132%0.31829%0.293SS..EExtended strand (participates in β ladder)trans-90126.9179.6-71.6175.2143.100109.1Y215 H217 K227 K233Y215-E235 HydrophobicContact CE2-CG 4.29Å; Y215-E235 PolarHBondContact OH-OE1 3.17Å; H217-E235 HydrophobicContact CB-CB 3.83Å; H217-E235 HydrophobicContact CB-CG 3.74Å; K227-E235 IonicContact NZ-OE1 3.18Å; K227-E235 PolarHBondContact NZ-OE1 2.91Å; K233-E235 HydrophobicContact CD-CG 4.16Å; K233-E235 HydrophobicContact CG-CG 4.11Å; K233-E235 VanDerWaalsContact NZ-CD 3.31Å; K233-E235 IonicContact NZ-OE1 2.62Å; K233-E235 PolarHBondContact NZ-OE1 3.17Å; K233-E235 IonicContact NZ-OE2 3.6Å; K233-E235 PolarHBondContact NZ-OE2 2.93Å
236L98.6Very high98.4Very high0 Ų058.5 Ų58.50%028%0.282CS..EExtended strand (participates in β ladder)trans-104.2155.6177.6-55.4178.9000110.9M214 Y215 H217 V234 Y245 K248 L282M214-L236 HydrophobicContact CE-CD1 3.68Å; M214-L236 HydrophobicContact CE-CD2 3.82Å; M214-L236 HydrophobicContact CE-CG 4.25Å; M214-L236 HydrophobicContact CG-CD1 3.81Å; M214-L236 HydrophobicContact CG-CD2 4.19Å; M214-L236 HydrophobicContact CG-CG 4Å; M214-L236 HydrophobicContact SD-CD2 4.47Å; Y215-L236 PolarHBondContact O-N 2.94Å; H217-L236 PolarHBondContact N-O 2.77Å; H217-L236 PolarHBondContact ND1-O 3.41Å; V234-L236 HydrophobicContact CG1-CD2 4.25Å; L236-Y245 HydrophobicContact CD1-CD2 3.81Å; L236-Y245 HydrophobicContact CD1-CE2 3.92Å; L236-K248 HydrophobicContact CD2-CD 3.55Å; L236-L282 HydrophobicContact CB-CD2 4.19Å; L236-L282 HydrophobicContact CD1-CD1 3.68Å
237D98.3Very high98.4Very high91 Ų9164.8 Ų64.849%0.48731%0.311SS..  trans-101.5164177-78-56.5000111H217 G239 T240 L282H217-D237 IonicContact CE1-OD1 3.72Å; H217-D237 PolarHBondContact CE1-OD1 3.45Å; H217-D237 VanDerWaalsContact CE1-OD1 3.24Å; D237-G239 PolarHBondContact O-N 3.38Å; D237-T240 PolarHBondContact O-N 2.93Å; D237-T240 PolarHBondContact O-OG1 3Å; D237-L282 WeakPolarHBondContact O-CD2 3.36Å
238W98.1Very high98.5Very high153 Ų15365.3 Ų65.358%0.5831%0.314SS*.THydrogen-bonded Turntrans-54.8136.5174.3-71.397.4000111.6N218 I219 T240 G281N218-W238 HydrophobicContact CB-CZ2 4.09Å; I219-W238 HydrophobicContact CG2-CH2 3.33Å; I219-W238 HydrophobicContact CG2-CZ2 3.4Å; I219-W238 VanDerWaalsContact CG2-CZ2 3.4Å; I219-W238 HydrophobicContact CG2-CZ3 4.28Å; W238-T240 VanDerWaalsContact C-N 3.26Å; W238-T240 PolarHBondContact O-N 2.82Å; W238-G281 WeakPolarHBondContact CA-O 3.43Å; W238-G281 VanDerWaalsContact CE3-CA 3.42Å; W238-G281 VanDerWaalsContact CE3-O 3.27Å
239G98.3Very high98.5Very high31 Ų3158.2 Ų58.232%0.3229%0.287SS..THydrogen-bonded Turntrans69.617.3175.300000114.7D237 E241 G281D237-G239 PolarHBondContact O-N 3.38Å; G239-E241 WeakPolarHBondContact O-CG 3.35Å; G239-E241 PolarHBondContact O-N 2.87Å; G239-G281 PolarHBondContact N-O 2.88Å
240T98.8Very high98.6Very high5 Ų563.3 Ų63.33%0.03131%0.309CS..  trans-52.1128.3168.9-63.10000109.7D237 W238 E244 S283 I284D237-T240 PolarHBondContact O-N 2.93Å; D237-T240 PolarHBondContact O-OG1 3Å; W238-T240 VanDerWaalsContact C-N 3.26Å; W238-T240 PolarHBondContact O-N 2.82Å; T240-E244 HydrophobicContact CG2-CB 4.03Å; T240-E244 HydrophobicContact CG2-CG 4.09Å; T240-S283 CarbonylContact O-C 3.55Å; T240-S283 PolarHBondContact O-N 3.38Å; T240-I284 WeakPolarHBondContact O-CD1 3.39Å
241E98.7Very high98.6Very high136 Ų13667.8 Ų67.864%0.63633%0.333SS*.BIsolated β-bridgetrans-100.6171.9-177.3-59.7-176.8166.800112.1G239 S243 E244 Y245G239-E241 WeakPolarHBondContact O-CG 3.35Å; G239-E241 PolarHBondContact O-N 2.87Å; E241-S243 PolarHBondContact O-N 3.03Å; E241-E244 PolarHBondContact O-N 3.38Å; E241-Y245 WeakPolarHBondContact O-CB 3.39Å; E241-Y245 PolarHBondContact O-N 3.26Å
242D98.8Very high98.6Very high44 Ų4463.4 Ų63.424%0.23532%0.315CS..Hα-helixtrans-47.1-49.1-173.9-72.1-5.1000114.9E244 Y245 L246 I284 S285D242-E244 PolarHBondContact O-N 3.07Å; D242-Y245 PolarHBondContact O-N 3.37Å; D242-L246 HydrophobicContact CB-CD1 4.44Å; D242-L246 VanDerWaalsContact O-CB 3.26Å; D242-L246 WeakPolarHBondContact O-CB 3.37Å; D242-L246 WeakPolarHBondContact O-CG 3.05Å; D242-L246 PolarHBondContact O-N 2.67Å; D242-I284 WeakPolarHBondContact OD1-CA 3.33Å; D242-I284 WeakPolarHBondContact OD1-CG2 3.27Å; D242-S285 PolarHBondContact OD1-N 2.88Å; D242-S285 PolarHBondContact OD1-OG 3.47Å; D242-S285 WeakPolarHBondContact OD2-CB 3.17Å; D242-S285 PolarHBondContact OD2-OG 2.95Å
243S98.6Very high98.6Very high102 Ų10261.6 Ų61.671%0.71331%0.308SS*.Hα-helixtrans-64.2-46.1-172-174.30000112.2E241 Q247E241-S243 PolarHBondContact O-N 3.03Å; S243-Q247 WeakPolarHBondContact O-CB 2.95Å; S243-Q247 PolarHBondContact O-N 3.2Å
244E98.7Very high98.6Very high80 Ų8059.7 Ų59.737%0.37430%0.3SS..Hα-helixtrans-69-45.5178.4-177.2-170.5160.500110.4T240 E241 D242 Q247 K248T240-E244 HydrophobicContact CG2-CB 4.03Å; T240-E244 HydrophobicContact CG2-CG 4.09Å; E241-E244 PolarHBondContact O-N 3.38Å; D242-E244 PolarHBondContact O-N 3.07Å; E244-Q247 PolarHBondContact O-N 3Å; E244-K248 HydrophobicContact CG-CD 4.25Å; E244-K248 WeakPolarHBondContact O-CG 3.34Å; E244-K248 PolarHBondContact O-N 2.75Å; E244-K248 WeakPolarHBondContact OE1-CE 3.5Å; E244-K248 IonicContact OE1-NZ 3.32Å; E244-K248 PolarHBondContact OE1-NZ 2.68Å
245Y98.9Very high98.5Very high0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-58.8-54-179.9-177.7-91.3000111.7M214 L236 E241 D242 Q247 K248 V249 I273 L282 I284 R292M214-Y245 HydrophobicContact CE-CD1 4.49Å; M214-Y245 HydrophobicContact CE-CD2 3.35Å; M214-Y245 HydrophobicContact CE-CE2 3.46Å; M214-Y245 VanDerWaalsContact CE-CE2 3.46Å; M214-Y245 HydrophobicContact CE-CG 3.89Å; M214-Y245 WeakPolarHBondContact CE-O 3.42Å; L236-Y245 HydrophobicContact CD1-CD2 3.81Å; L236-Y245 HydrophobicContact CD1-CE2 3.92Å; E241-Y245 WeakPolarHBondContact O-CB 3.39Å; E241-Y245 PolarHBondContact O-N 3.26Å; D242-Y245 PolarHBondContact O-N 3.37Å; Y245-Q247 VanDerWaalsContact C-N 3.33Å; Y245-Q247 PolarHBondContact O-N 2.79Å; Y245-K248 PolarHBondContact O-N 2.64Å; Y245-K248 VanDerWaalsContact O-N 3.15Å; Y245-V249 HydrophobicContact CD1-CG2 3.91Å; Y245-V249 HydrophobicContact CE1-CG2 3.49Å; Y245-V249 VanDerWaalsContact CE1-CG2 3.49Å; Y245-V249 HydrophobicContact CE2-CG2 4.49Å; Y245-V249 WeakPolarHBondContact O-CG2 3.44Å; Y245-V249 PolarHBondContact O-N 3.18Å; Y245-I273 HydrophobicContact CE1-CD1 3.81Å; Y245-I273 HydrophobicContact CE2-CD1 3.98Å; Y245-I273 HydrophobicContact CE2-CG2 4.38Å; Y245-I273 WeakPolarHBondContact OH-CD1 3.4Å; Y245-L282 HydrophobicContact CD2-CD1 4.45Å; Y245-L282 HydrophobicContact CE2-CD1 4.34Å; Y245-I284 HydrophobicContact CD1-CD1 4.04Å; Y245-I284 HydrophobicContact CD1-CG1 4.32Å; Y245-I284 HydrophobicContact CD1-CG2 4.42Å; Y245-I284 HydrophobicContact CD2-CD1 3.73Å; Y245-I284 HydrophobicContact CD2-CG1 4Å; Y245-I284 HydrophobicContact CE2-CG1 4.41Å; Y245-I284 HydrophobicContact CG-CD1 3.42Å; Y245-I284 VanDerWaalsContact CG-CD1 3.42Å; Y245-I284 HydrophobicContact CG-CG1 3.98Å; Y245-R292 HydrophobicContact CE1-CB 4.07Å; Y245-R292 HydrophobicContact CE1-CG 3.85Å; Y245-R292 WeakPolarHBondContact OH-CD 2.88Å
246L98.9Very high98.5Very high33 Ų3356.8 Ų56.817%0.17329%0.29CS..Hα-helixtrans-65.3-36.2-176.6-67.1173.8000112.2D242 V249 E250 G288 K291 R292 I295D242-L246 HydrophobicContact CB-CD1 4.44Å; D242-L246 VanDerWaalsContact O-CB 3.26Å; D242-L246 WeakPolarHBondContact O-CB 3.37Å; D242-L246 WeakPolarHBondContact O-CG 3.05Å; D242-L246 PolarHBondContact O-N 2.67Å; L246-V249 PolarHBondContact O-N 2.94Å; L246-E250 PolarHBondContact O-N 2.83Å; L246-G288 WeakPolarHBondContact CD2-O 3.42Å; L246-K291 HydrophobicContact CD1-CB 4.1Å; L246-K291 HydrophobicContact CD1-CG 3.96Å; L246-K291 HydrophobicContact CD2-CB 4.12Å; L246-K291 HydrophobicContact CD2-CG 4.21Å; L246-R292 HydrophobicContact CD2-CB 4.01Å; L246-I295 HydrophobicContact CB-CD1 4.37Å; L246-I295 HydrophobicContact CD2-CD1 3.98Å
247Q98.8Very high98.4Very high133 Ų13357.2 Ų57.262%0.62129%0.292SS*.Hα-helixtrans-61.5-44.6173.9-175.3-178.935.900111.3S243 E244 Y245 L251S243-Q247 WeakPolarHBondContact O-CB 2.95Å; S243-Q247 PolarHBondContact O-N 3.2Å; E244-Q247 PolarHBondContact O-N 3Å; Y245-Q247 VanDerWaalsContact C-N 3.33Å; Y245-Q247 PolarHBondContact O-N 2.79Å; Q247-L251 VanDerWaalsContact O-CB 3.28Å; Q247-L251 WeakPolarHBondContact O-CB 3.49Å; Q247-L251 PolarHBondContact O-N 3.04Å
248K98.8Very high98.2Very high48 Ų4858.1 Ų58.121%0.20930%0.297CS..Hα-helixtrans-65-43.6176.3-76176.9173.1175.80111.4M214 V234 L236 E244 Y245 E250 L251 H252M214-K248 HydrophobicContact CE-CB 3.68Å; M214-K248 HydrophobicContact CE-CD 4.5Å; M214-K248 HydrophobicContact SD-CB 3.76Å; V234-K248 HydrophobicContact CG1-CB 4.36Å; V234-K248 HydrophobicContact CG1-CD 4.02Å; V234-K248 HydrophobicContact CG1-CG 4.45Å; L236-K248 HydrophobicContact CD2-CD 3.55Å; E244-K248 HydrophobicContact CG-CD 4.25Å; E244-K248 WeakPolarHBondContact O-CG 3.34Å; E244-K248 PolarHBondContact O-N 2.75Å; E244-K248 WeakPolarHBondContact OE1-CE 3.5Å; E244-K248 IonicContact OE1-NZ 3.32Å; E244-K248 PolarHBondContact OE1-NZ 2.68Å; Y245-K248 PolarHBondContact O-N 2.64Å; Y245-K248 VanDerWaalsContact O-N 3.15Å; K248-E250 PolarHBondContact O-N 2.91Å; K248-L251 PolarHBondContact O-N 3.25Å; K248-H252 VanDerWaalsContact O-CB 3.28Å; K248-H252 WeakPolarHBondContact O-CB 3.46Å; K248-H252 PolarHBondContact O-CD2 3.07Å; K248-H252 PolarHBondContact O-N 3.35Å
249V98.9Very high98.1Very high0 Ų056.3 Ų56.30%030%0.295CS..Hα-helixtrans-57.2-50.1176.7170.50000110.8L191 M214 Y245 L246 S253 R292 I295 V296L191-V249 HydrophobicContact CD1-CG1 3.88Å; L191-V249 HydrophobicContact CD1-CG2 4.06Å; L191-V249 HydrophobicContact CD2-CG2 4.27Å; M214-V249 HydrophobicContact CE-CG2 3.71Å; M214-V249 HydrophobicContact SD-CG2 4.01Å; Y245-V249 HydrophobicContact CD1-CG2 3.91Å; Y245-V249 HydrophobicContact CE1-CG2 3.49Å; Y245-V249 VanDerWaalsContact CE1-CG2 3.49Å; Y245-V249 HydrophobicContact CE2-CG2 4.49Å; Y245-V249 WeakPolarHBondContact O-CG2 3.44Å; Y245-V249 PolarHBondContact O-N 3.18Å; L246-V249 PolarHBondContact O-N 2.94Å; V249-S253 WeakPolarHBondContact O-CB 3.22Å; V249-S253 PolarHBondContact O-N 3.45Å; V249-S253 PolarHBondContact O-OG 3.09Å; V249-R292 HydrophobicContact CG1-CG 4.11Å; V249-R292 HydrophobicContact CG2-CG 4.2Å; V249-I295 HydrophobicContact CG1-CB 4.45Å; V249-I295 HydrophobicContact CG1-CG2 4.07Å; V249-V296 HydrophobicContact CG1-CG2 4.24Å
250E98.7Very high97.9Very high114 Ų11455.7 Ų55.753%0.53329%0.285SS..Hα-helixtrans-62.4-54.1-179.7-175.8170.5-148.200111.5L246 K248 H252 S253 E254 I295L246-E250 PolarHBondContact O-N 2.83Å; K248-E250 PolarHBondContact O-N 2.91Å; E250-H252 VanDerWaalsContact C-N 3.33Å; E250-H252 PolarHBondContact O-N 3.34Å; E250-S253 PolarHBondContact O-N 3.02Å; E250-E254 VanDerWaalsContact O-CB 3.27Å; E250-E254 WeakPolarHBondContact O-CB 3.48Å; E250-E254 VanDerWaalsContact O-CG 3.3Å; E250-E254 WeakPolarHBondContact O-CG 3.11Å; E250-E254 PolarHBondContact O-N 3.01Å; E250-I295 HydrophobicContact CB-CG2 4.02Å; E250-I295 HydrophobicContact CG-CG2 4.35Å
251L98.8Very high97.7Very high110 Ų11065 Ų6558%0.57632%0.319SS*.Hα-helixtrans-55.7-47.6-179175.863.4000112.1Q247 K248 G255Q247-L251 VanDerWaalsContact O-CB 3.28Å; Q247-L251 WeakPolarHBondContact O-CB 3.49Å; Q247-L251 PolarHBondContact O-N 3.04Å; K248-L251 PolarHBondContact O-N 3.25Å; L251-G255 PolarHBondContact O-N 3.06Å; L251-G255 VanDerWaalsContact O-N 3.11Å
252H98.7Very high97.7Very high45 Ų4558.7 Ų58.721%0.20829%0.29CS..Hα-helixtrans-81.3-33.6-172.8-68.8-66.3000112.5M212 R232 V234 K248 E250 S256M212-H252 HydrophobicContact CE-CB 3.4Å; M212-H252 VanDerWaalsContact CE-CB 3.4Å; M212-H252 HydrophobicContact SD-CB 3.82Å; R232-H252 WeakPolarHBondContact CD-O 3.37Å; R232-H252 HydrophobicContact CG-CB 4.4Å; R232-H252 PolarHBondContact NH1-O 2.85Å; V234-H252 HydrophobicContact CG2-CB 3.89Å; V234-H252 WeakPolarHBondContact CG2-CD2 3.48Å; K248-H252 VanDerWaalsContact O-CB 3.28Å; K248-H252 WeakPolarHBondContact O-CB 3.46Å; K248-H252 PolarHBondContact O-CD2 3.07Å; K248-H252 PolarHBondContact O-N 3.35Å; E250-H252 VanDerWaalsContact C-N 3.33Å; E250-H252 PolarHBondContact O-N 3.34Å; H252-S256 WeakPolarHBondContact O-CB 3.31Å; H252-S256 PolarHBondContact O-N 3.27Å; H252-S256 PolarHBondContact O-OG 3.26Å
253S98.2Very high97.7Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-64.5-49.3172.9-58.60000110.5V249 E250 G255 S256 L257V249-S253 WeakPolarHBondContact O-CB 3.22Å; V249-S253 PolarHBondContact O-N 3.45Å; V249-S253 PolarHBondContact O-OG 3.09Å; E250-S253 PolarHBondContact O-N 3.02Å; S253-G255 PolarHBondContact O-N 3.19Å; S253-S256 PolarHBondContact O-N 3.45Å; S253-L257 WeakPolarHBondContact O-CG 3.41Å; S253-L257 PolarHBondContact O-N 3.39Å
254E97.4Very high97.7Very high54 Ų5454.1 Ų54.125%0.25226%0.258SS..Hα-helixtrans-58.8-49.6179.1-77.5-68.3127.300111.7E250 S256 L257 N258 A299 R303E250-E254 VanDerWaalsContact O-CB 3.27Å; E250-E254 WeakPolarHBondContact O-CB 3.48Å; E250-E254 VanDerWaalsContact O-CG 3.3Å; E250-E254 WeakPolarHBondContact O-CG 3.11Å; E250-E254 PolarHBondContact O-N 3.01Å; E254-S256 VanDerWaalsContact C-N 3.33Å; E254-S256 PolarHBondContact O-N 2.93Å; E254-L257 PolarHBondContact O-N 3.24Å; E254-N258 PolarHBondContact O-N 3.44Å; E254-N258 PolarHBondContact O-ND2 2.91Å; E254-N258 PolarHBondContact O-OD1 3.46Å; E254-A299 VanDerWaalsContact OE1-CB 3.23Å; E254-A299 WeakPolarHBondContact OE1-CB 3.33Å; E254-R303 IonicContact OE1-CZ 2.64Å; E254-R303 IonicContact OE1-NH1 2.96Å; E254-R303 PolarHBondContact OE1-NH1 3.09Å; E254-R303 IonicContact OE1-NH2 3.85Å; E254-R303 IonicContact OE2-CZ 3.49Å; E254-R303 IonicContact OE2-NH1 2.8Å; E254-R303 PolarHBondContact OE2-NH1 3.28Å; E254-R303 VanDerWaalsContact OE2-NH1 3.15Å; E254-R303 IonicContact OE2-NH2 2.82Å; E254-R303 PolarHBondContact OE2-NH2 3.23Å
255G97.4Very high97.7Very high14 Ų1450.3 Ų50.314%0.14424%0.24CC..Hα-helixtrans-70.9-25.9-179.500000113.6R232 L251 S253 L257 N258 E259R232-G255 VanDerWaalsContact NH2-C 3.26Å; R232-G255 PolarHBondContact NH2-O 3.48Å; L251-G255 PolarHBondContact O-N 3.06Å; L251-G255 VanDerWaalsContact O-N 3.11Å; S253-G255 PolarHBondContact O-N 3.19Å; G255-L257 VanDerWaalsContact C-N 3.3Å; G255-N258 PolarHBondContact O-N 3.14Å; G255-E259 WeakPolarHBondContact O-CG 3.34Å; G255-E259 PolarHBondContact O-N 2.82Å
256S97.4Very high97.7Very high0 Ų050.3 Ų50.30%024%0.24CC..Hα-helixtrans-63.6-43.7174.7-65.40000109.8M212 R232 H252 S253 E254 N258 E259 V260M212-S256 PolarHBondContact SD-OG 2.82Å; R232-S256 VanDerWaalsContact CD-OG 3.31Å; R232-S256 WeakPolarHBondContact CD-OG 3.39Å; R232-S256 VanDerWaalsContact CZ-N 3.34Å; H252-S256 WeakPolarHBondContact O-CB 3.31Å; H252-S256 PolarHBondContact O-N 3.27Å; H252-S256 PolarHBondContact O-OG 3.26Å; S253-S256 PolarHBondContact O-N 3.45Å; E254-S256 VanDerWaalsContact C-N 3.33Å; E254-S256 PolarHBondContact O-N 2.93Å; S256-N258 VanDerWaalsContact C-N 3.26Å; S256-N258 PolarHBondContact O-N 2.85Å; S256-E259 PolarHBondContact O-N 3.35Å; S256-V260 PolarHBondContact O-N 3.12Å; S256-V260 VanDerWaalsContact O-N 3.12Å
257L96.9Very high97.7Very high8 Ų848.8 Ų48.84%0.04223%0.232CC..Hα-helixtrans-76.7-11.9178.8-58.1178.2000113.3T187 S253 E254 G255 V260 P262 I265 A299 I305T187-L257 HydrophobicContact CG2-CD2 4.34Å; S253-L257 WeakPolarHBondContact O-CG 3.41Å; S253-L257 PolarHBondContact O-N 3.39Å; E254-L257 PolarHBondContact O-N 3.24Å; G255-L257 VanDerWaalsContact C-N 3.3Å; L257-V260 CarbonylContact C-O 3.35Å; L257-V260 WeakPolarHBondContact CA-O 3.24Å; L257-V260 VanDerWaalsContact O-O 3.09Å; L257-P262 HydrophobicContact CD2-CG 4.01Å; L257-I265 HydrophobicContact CD1-CD1 3.91Å; L257-I265 HydrophobicContact CD2-CD1 3.7Å; L257-I265 HydrophobicContact CD2-CG1 3.88Å; L257-I265 HydrophobicContact CG-CD1 4.48Å; L257-A299 HydrophobicContact CD1-CB 3.96Å; L257-I305 HydrophobicContact CD2-CD1 4.3Å
258N94.9Very high97.7Very high111 Ų11142.4 Ų42.459%0.59420%0.202SC*.Hα-helixtrans-90-33.7171.4-66.8-21.5000112.3E254 G255 S256 R303E254-N258 PolarHBondContact O-N 3.44Å; E254-N258 PolarHBondContact O-ND2 2.91Å; E254-N258 PolarHBondContact O-OD1 3.46Å; G255-N258 PolarHBondContact O-N 3.14Å; S256-N258 VanDerWaalsContact C-N 3.26Å; S256-N258 PolarHBondContact O-N 2.85Å; N258-R303 PolarHBondContact OD1-NH2 2.89Å
259E95.4Very high97.7Very high115 Ų11540.2 Ų40.254%0.53719%0.193SC..Hα-helixtrans-71.4-38.4175-76.7-179.1-158.900112F210 R232 G255 S256F210-E259 HydrophobicContact CE2-CB 4.35Å; F210-E259 VanDerWaalsContact CE2-OE2 3.3Å; F210-E259 WeakPolarHBondContact CE2-OE2 3.47Å; F210-E259 WeakPolarHBondContact CZ-OE2 3.42Å; R232-E259 IonicContact CZ-OE1 3.74Å; R232-E259 IonicContact NE-OE1 3.71Å; R232-E259 IonicContact NH2-OE1 3.27Å; R232-E259 PolarHBondContact NH2-OE1 2.7Å; G255-E259 WeakPolarHBondContact O-CG 3.34Å; G255-E259 PolarHBondContact O-N 2.82Å; S256-E259 PolarHBondContact O-N 3.35Å
260V94.1Very high97.6Very high17 Ų1740.2 Ų40.210%0.10319%0.193CC..  trans-132.5131.5-179.6169.30000108.7F210 S256 L257 P262F210-V260 HydrophobicContact CB-CB 4.44Å; F210-V260 HydrophobicContact CB-CG1 4.44Å; F210-V260 HydrophobicContact CB-CG2 4.33Å; F210-V260 HydrophobicContact CD2-CB 4.24Å; F210-V260 HydrophobicContact CD2-CG2 3.57Å; F210-V260 HydrophobicContact CE2-CG2 4.2Å; F210-V260 HydrophobicContact CG-CB 4.46Å; F210-V260 HydrophobicContact CG-CG2 4.21Å; S256-V260 PolarHBondContact O-N 3.12Å; S256-V260 VanDerWaalsContact O-N 3.12Å; L257-V260 CarbonylContact C-O 3.35Å; L257-V260 WeakPolarHBondContact CA-O 3.24Å; L257-V260 VanDerWaalsContact O-O 3.09Å; V260-P262 WeakPolarHBondContact O-CD 3.49Å
261R94.4Very high97.6Very high201 Ų20134.9 Ų34.976%0.75817%0.168SC*.  trans-90.998.9163.6-174.8177.3-179.3168.20.9108.5
262P98.1Very high97.5Very high4 Ų429.6 Ų29.63%0.02614%0.141CC..  trans-78.1161.5175.634.9-39.3000111.4T187 L257 V260 I264 I265 I305T187-P262 WeakPolarHBondContact OG1-CB 3.48Å; T187-P262 WeakPolarHBondContact OG1-CG 3.13Å; L257-P262 HydrophobicContact CD2-CG 4.01Å; V260-P262 WeakPolarHBondContact O-CD 3.49Å; P262-I264 WeakPolarHBondContact CB-O 3.47Å; P262-I265 HydrophobicContact CG-CG1 4.19Å; P262-I305 HydrophobicContact CG-CD1 4.12Å; P262-I305 HydrophobicContact CG-CG2 4.06Å
263D98.7Very high97.5Very high50 Ų5027.5 Ų27.527%0.26713%0.131SC..SBendtrans-82-23.3170.1-52.8-43.1000111I183 S184 R185 P306I183-D263 HydrophobicContact CD1-CB 3.75Å; I183-D263 HydrophobicContact CG2-CB 4.2Å; S184-D263 PolarHBondContact N-OD2 3.49Å; S184-D263 PolarHBondContact OG-OD2 3.25Å; R185-D263 PolarHBondContact N-OD2 3.39Å; R185-D263 WeakPolarHBondContact O-CB 3.48Å; R185-D263 PolarHBondContact O-N 3.19Å; D263-P306 WeakPolarHBondContact O-CD 3.41Å
264I98.9Very high97.5Very high0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-151.1145.3175.9-173.3172.5000111.6A139 V140 L176 I183 A186 T187 P262 P306 L308A139-I264 HydrophobicContact CB-CD1 4.15Å; V140-I264 HydrophobicContact CG2-CD1 3.96Å; L176-I264 HydrophobicContact CD1-CD1 3.53Å; L176-I264 HydrophobicContact CD1-CG2 4.18Å; I183-I264 HydrophobicContact CG2-CG2 4.22Å; A186-I264 WeakPolarHBondContact CA-O 3.37Å; A186-I264 HydrophobicContact CB-CG2 3.91Å; T187-I264 PolarHBondContact N-O 3.4Å; P262-I264 WeakPolarHBondContact CB-O 3.47Å; I264-P306 WeakPolarHBondContact CA-O 3.4Å; I264-P306 HydrophobicContact CG1-CB 4.23Å; I264-L308 HydrophobicContact CD1-CB 4.33Å
265I98.9Very high97.5Very high0 Ų028.9 Ų28.90%014%0.14CC..EExtended strand (participates in β ladder)trans-97.9128.9166-64.9157.9000109.1T187 I189 L257 P262 A300 I305 P306 I307 L308T187-I265 CarbonylContact O-C 3.55Å; T187-I265 WeakPolarHBondContact O-CA 3.36Å; I189-I265 HydrophobicContact CD1-CG2 4.02Å; I189-I265 HydrophobicContact CG1-CG2 4.25Å; L257-I265 HydrophobicContact CD1-CD1 3.91Å; L257-I265 HydrophobicContact CD2-CD1 3.7Å; L257-I265 HydrophobicContact CD2-CG1 3.88Å; L257-I265 HydrophobicContact CG-CD1 4.48Å; P262-I265 HydrophobicContact CG-CG1 4.19Å; I265-A300 HydrophobicContact CD1-CB 3.59Å; I265-I305 HydrophobicContact CD1-CB 4.12Å; I265-I305 HydrophobicContact CD1-CD1 4.49Å; I265-I305 HydrophobicContact CD1-CG2 3.77Å; I265-I305 HydrophobicContact CG1-CG2 3.79Å; I265-P306 PolarHBondContact N-O 3.39Å; I265-I307 HydrophobicContact CB-CB 4.36Å; I265-I307 HydrophobicContact CB-CG1 4.18Å; I265-I307 HydrophobicContact CG2-CD1 4.15Å; I265-I307 HydrophobicContact CG2-CG1 4.08Å; I265-I307 WeakPolarHBondContact O-CA 3.47Å; I265-L308 PolarHBondContact O-N 2.92Å
266V98.9Very high97.5Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-104109.3164.8-175.30000107.7I169 I173 T187 I188 I189 L308I169-V266 HydrophobicContact CG1-CG1 4.47Å; I169-V266 HydrophobicContact CG2-CG1 4.06Å; I173-V266 HydrophobicContact CD1-CG2 4.03Å; I173-V266 HydrophobicContact CG1-CG2 3.82Å; T187-V266 PolarHBondContact O-N 2.81Å; I188-V266 VanDerWaalsContact CA-O 3.32Å; I188-V266 WeakPolarHBondContact CA-O 3.42Å; I188-V266 HydrophobicContact CG1-CB 4.46Å; I189-V266 PolarHBondContact N-O 3.32Å; V266-L308 HydrophobicContact CG1-CD2 4.1Å; V266-L308 HydrophobicContact CG1-CG 4.4Å; V266-L308 HydrophobicContact CG2-CD2 4.31Å
267Y98.9Very high97.4Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-102.5110.7-175.6175.4-139.9000110.4I189 L191 A269 R292 D293 V296 F297 I307 L308 M309 V310I189-Y267 HydrophobicContact CB-CD2 4.26Å; I189-Y267 HydrophobicContact CG2-CD2 4.13Å; I189-Y267 HydrophobicContact CG2-CE2 4.46Å; I189-Y267 WeakPolarHBondContact O-CA 3.45Å; I189-Y267 WeakPolarHBondContact O-CD2 3.44Å; L191-Y267 HydrophobicContact CB-CE2 4.12Å; L191-Y267 HydrophobicContact CD1-CE2 3.62Å; L191-Y267 HydrophobicContact CG-CE2 3.86Å; Y267-A269 HydrophobicContact CD1-CB 4.07Å; Y267-A269 HydrophobicContact CE1-CB 3.52Å; Y267-A269 HydrophobicContact CE2-CB 4.1Å; Y267-R292 PolarHBondContact OH-NE 3.11Å; Y267-D293 HydrophobicContact CE1-CB 4.41Å; Y267-D293 PolarHBondContact OH-OD1 3.31Å; Y267-V296 HydrophobicContact CD1-CB 4.42Å; Y267-V296 HydrophobicContact CD1-CG1 4Å; Y267-V296 HydrophobicContact CD2-CG1 3.98Å; Y267-V296 HydrophobicContact CD2-CG2 4.45Å; Y267-V296 HydrophobicContact CE1-CB 4.24Å; Y267-V296 HydrophobicContact CE1-CG1 4.31Å; Y267-V296 HydrophobicContact CE1-CG2 4.49Å; Y267-V296 HydrophobicContact CE2-CB 4.49Å; Y267-V296 HydrophobicContact CE2-CG1 4.33Å; Y267-V296 HydrophobicContact CE2-CG2 4.03Å; Y267-V296 HydrophobicContact CG-CG1 3.84Å; Y267-F297 HydrophobicContact CD1-CE2 4.15Å; Y267-I307 HydrophobicContact CD1-CD1 4.33Å; Y267-I307 HydrophobicContact CG-CD1 4.44Å; Y267-L308 PolarHBondContact N-O 3.14Å; Y267-M309 HydrophobicContact CD1-CB 4.24Å; Y267-M309 HydrophobicContact CD1-CG 3.83Å; Y267-M309 HydrophobicContact CD1-SD 4.46Å; Y267-M309 HydrophobicContact CE1-CE 4.34Å; Y267-M309 HydrophobicContact CE1-CG 4.28Å; Y267-M309 HydrophobicContact CE1-SD 4.49Å; Y267-M309 WeakPolarHBondContact O-CA 3.28Å; Y267-V310 PolarHBondContact O-N 3.27Å
268N98.9Very high97.2Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-91.2105.7174.1-167.753.3000109.4G151 H153 I169 I189 D190 L191 G270 V310 S312G151-N268 VanDerWaalsContact CA-OD1 3.3Å; G151-N268 WeakPolarHBondContact CA-OD1 3.33Å; H153-N268 PolarHBondContact ND1-ND2 2.87Å; I169-N268 HydrophobicContact CD1-CB 4.23Å; I189-N268 PolarHBondContact O-N 3.39Å; D190-N268 HydrophobicContact CB-CB 4.25Å; D190-N268 VanDerWaalsContact CG-ND2 3.31Å; D190-N268 WeakPolarHBondContact OD1-CB 3.46Å; D190-N268 PolarHBondContact OD1-ND2 2.78Å; D190-N268 PolarHBondContact OD2-ND2 2.99Å; L191-N268 PolarHBondContact N-O 3.48Å; N268-G270 PolarHBondContact O-N 2.94Å; N268-V310 HydrophobicContact CB-CG2 4.21Å; N268-V310 VanDerWaalsContact OD1-CG2 3.28Å; N268-V310 WeakPolarHBondContact OD1-CG2 3.2Å; N268-S312 WeakPolarHBondContact OD1-CB 3.49Å; N268-S312 PolarHBondContact OD1-OG 3.34Å
269A98.5Very high97.2Very high1 Ų132.5 Ų32.51%0.00817%0.174CC..  trans-103.144.3-166.600000112.9Y267 R292 M309 V310Y267-A269 HydrophobicContact CD1-CB 4.07Å; Y267-A269 HydrophobicContact CE1-CB 3.52Å; Y267-A269 HydrophobicContact CE2-CB 4.1Å; A269-R292 PolarHBondContact O-NH2 3Å; A269-M309 HydrophobicContact CB-CE 3.36Å; A269-M309 HydrophobicContact CB-CG 3.97Å; A269-M309 HydrophobicContact CB-SD 4.46Å; A269-V310 WeakPolarHBondContact CB-O 3.16Å; A269-V310 PolarHBondContact N-O 3.17Å
270G97.8Very high97.3Very high0 Ų027 Ų270%015%0.148CC..  trans-50.5138.7-179.300000113.1D192 N268 R292 T311D192-G270 WeakPolarHBondContact OD2-CA 3.42Å; N268-G270 PolarHBondContact O-N 2.94Å; G270-R292 PolarHBondContact O-NH1 3.48Å; G270-T311 WeakPolarHBondContact CA-O 3.29Å
271T97.4Very high97.5Very high2 Ų227 Ų271%0.01215%0.151CC..  trans-110.110.8-173.149.60000113.3I273 L274 I289 G313 G314 T319 I323T271-I273 PolarHBondContact O-N 3.11Å; T271-L274 WeakPolarHBondContact O-CB 3.32Å; T271-L274 PolarHBondContact O-N 3.31Å; T271-I289 HydrophobicContact CG2-CD1 4.46Å; T271-I289 HydrophobicContact CG2-CG2 4.03Å; T271-G313 PolarHBondContact N-O 3.28Å; T271-G313 VanDerWaalsContact N-O 3.09Å; T271-G313 PolarHBondContact OG1-O 3.05Å; T271-G314 WeakPolarHBondContact OG1-CA 3.13Å; T271-T319 HydrophobicContact CG2-CG2 4.28Å; T271-T319 WeakPolarHBondContact OG1-CG2 3.38Å; T271-I323 HydrophobicContact CG2-CD1 4.23Å; T271-I323 HydrophobicContact CG2-CG1 3.79Å
272D97.4Very high97.7Very high0 Ų017.7 Ų17.70%012%0.116CC..THydrogen-bonded Turntrans-74.5-6.4173.2511.4000113.8A193 H194 L274 D277 G280 Y315A193-D272 HydrophobicContact CB-CB 4.27Å; A193-D272 WeakPolarHBondContact CB-OD1 3.39Å; A193-D272 PolarHBondContact N-OD1 2.84Å; H194-D272 IonicContact CE1-OD2 3.69Å; H194-D272 PolarHBondContact CE1-OD2 3.38Å; H194-D272 IonicContact ND1-OD2 3.12Å; H194-D272 PolarHBondContact ND1-OD2 2.87Å; D272-L274 PolarHBondContact O-N 2.86Å; D272-D277 WeakPolarHBondContact O-CB 3.42Å; D272-G280 WeakPolarHBondContact O-CA 3.34Å; D272-Y315 HydrophobicContact CB-CD2 3.76Å; D272-Y315 HydrophobicContact CB-CE2 3.57Å
273I98.4Very high97.7Very high1 Ų119.3 Ų19.31%0.00513%0.128CC..THydrogen-bonded Turntrans-66.2-11.6164.867.1173.3000113.4A193 Y245 T271 L282 I284 I289A193-I273 HydrophobicContact CB-CG2 3.83Å; Y245-I273 HydrophobicContact CE1-CD1 3.81Å; Y245-I273 HydrophobicContact CE2-CD1 3.98Å; Y245-I273 HydrophobicContact CE2-CG2 4.38Å; Y245-I273 WeakPolarHBondContact OH-CD1 3.4Å; T271-I273 PolarHBondContact O-N 3.11Å; I273-L282 HydrophobicContact CB-CB 4.46Å; I273-L282 HydrophobicContact CB-CD1 3.93Å; I273-L282 HydrophobicContact CG2-CD1 3.77Å; I273-L282 WeakPolarHBondContact O-CB 3.4Å; I273-I284 HydrophobicContact CB-CG1 4.08Å; I273-I284 HydrophobicContact CD1-CB 4.36Å; I273-I284 HydrophobicContact CD1-CG1 4.2Å; I273-I284 HydrophobicContact CD1-CG2 4.22Å; I273-I284 HydrophobicContact CG1-CB 4.26Å; I273-I284 HydrophobicContact CG1-CG1 4.24Å; I273-I284 VanDerWaalsContact O-CB 3.28Å; I273-I284 WeakPolarHBondContact O-CB 3.36Å; I273-I284 WeakPolarHBondContact O-CG1 3.42Å; I273-I284 PolarHBondContact O-N 3.08Å; I273-I289 HydrophobicContact CD1-CG1 4.05Å; I273-I289 HydrophobicContact CG1-CD1 4.14Å; I273-I289 HydrophobicContact CG1-CG1 4.06Å
274L98.4Very high97.7Very high0 Ų017 Ų170%012%0.115CC..BIsolated β-bridgetrans-64137.4-175.6-176.357.2000111.9T271 D272 G276 D277 I284 P286 I289 Q316 K318 I322T271-L274 WeakPolarHBondContact O-CB 3.32Å; T271-L274 PolarHBondContact O-N 3.31Å; D272-L274 PolarHBondContact O-N 2.86Å; L274-G276 PolarHBondContact O-N 3.14Å; L274-D277 WeakPolarHBondContact O-CB 3.47Å; L274-D277 PolarHBondContact O-N 3.5Å; L274-I284 WeakPolarHBondContact CA-O 3.15Å; L274-I284 VanDerWaalsContact CD1-O 3.3Å; L274-I284 WeakPolarHBondContact CD1-O 3.14Å; L274-P286 HydrophobicContact CD1-CG 4.12Å; L274-I289 HydrophobicContact CB-CD1 3.8Å; L274-I289 HydrophobicContact CD1-CD1 3.87Å; L274-I289 HydrophobicContact CG-CD1 4.28Å; L274-Q316 HydrophobicContact CD2-CB 4.45Å; L274-Q316 PolarHBondContact O-NE2 3.2Å; L274-K318 HydrophobicContact CD2-CD 3.88Å; L274-K318 VanDerWaalsContact CD2-CE 3.48Å; L274-K318 HydrophobicContact CD2-CG 3.91Å; L274-I322 HydrophobicContact CD1-CD1 3.95Å; L274-I322 HydrophobicContact CD2-CD1 3.42Å; L274-I322 VanDerWaalsContact CD2-CD1 3.42Å; L274-I322 HydrophobicContact CG-CD1 4.36Å
275D98.3Very high97.7Very high82 Ų8218.3 Ų18.344%0.43913%0.125SC..THydrogen-bonded Turntrans-53129.1173.7-177.756.9000112S283 I284 Q316 K318D275-S283 PolarHBondContact OD1-OG 3.37Å; D275-I284 PolarHBondContact N-O 3.1Å; D275-Q316 PolarHBondContact O-NE2 2.89Å; D275-K318 PolarHBondContact O-NZ 3.11Å
276G95.9Very high97.7Very high56 Ų5620.4 Ų20.458%0.57714%0.139SC*.THydrogen-bonded Turntrans79.58.6-175.100000115.3L274L274-G276 PolarHBondContact O-N 3.14Å
277D96.2Very high97.6Very high12 Ų1227 Ų276%0.06417%0.169CC..  trans-67.9133.4173.8-172.4-78.6000109.9D272 L274 L279 G280 Y315 Q316D272-D277 WeakPolarHBondContact O-CB 3.42Å; L274-D277 WeakPolarHBondContact O-CB 3.47Å; L274-D277 PolarHBondContact O-N 3.5Å; D277-L279 PolarHBondContact O-N 3.26Å; D277-L279 PolarHBondContact OD1-N 3.22Å; D277-G280 PolarHBondContact OD1-N 3.47Å; D277-G280 VanDerWaalsContact OD1-N 3.16Å; D277-Y315 WeakPolarHBondContact OD1-CD2 3.29Å; D277-Y315 PolarHBondContact OD2-N 3.4Å; D277-Q316 VanDerWaalsContact CA-NE2 3.34Å; D277-Q316 HydrophobicContact CB-CG 4.36Å
278P93.7Very high97.6Very high87 Ų8727 Ų2757%0.56517%0.17SC*.THydrogen-bonded Turntrans-69.1-16.9-173.127.1-36.3000114.5
279L94.9Very high97.6Very high55 Ų5527 Ų2729%0.28817%0.17SC..THydrogen-bonded Turntrans-117.2-36.3-172.7-60-177.2000113.2F163 I219 D277 Y315F163-L279 HydrophobicContact CE2-CD1 3.89Å; F163-L279 HydrophobicContact CZ-CD1 4.01Å; I219-L279 WeakPolarHBondContact CD1-O 3.28Å; D277-L279 PolarHBondContact O-N 3.26Å; D277-L279 PolarHBondContact OD1-N 3.22Å; L279-Y315 HydrophobicContact CB-CD2 4.05Å; L279-Y315 HydrophobicContact CB-CE2 4Å; L279-Y315 HydrophobicContact CD1-CD1 4.17Å; L279-Y315 HydrophobicContact CD1-CD2 3.85Å; L279-Y315 HydrophobicContact CD1-CE1 4.01Å; L279-Y315 HydrophobicContact CD1-CE2 3.69Å; L279-Y315 HydrophobicContact CD1-CG 4.1Å; L279-Y315 HydrophobicContact CG-CD2 4.15Å; L279-Y315 HydrophobicContact CG-CE2 4.28Å
280G96.8Very high97.7Very high0 Ų028.2 Ų28.20%018%0.177CC..THydrogen-bonded Turntrans-80.7-28.5-170.500000116.5N216 D272 D277 L282N216-G280 PolarHBondContact ND2-O 2.84Å; D272-G280 WeakPolarHBondContact O-CA 3.34Å; D277-G280 PolarHBondContact OD1-N 3.47Å; D277-G280 VanDerWaalsContact OD1-N 3.16Å; G280-L282 VanDerWaalsContact C-N 3.28Å; G280-L282 PolarHBondContact O-N 3.03Å
281G97.2Very high97.7Very high16 Ų1632.1 Ų32.117%0.16519%0.194CC..  trans70.614.7169.700000117.2W238 G239W238-G281 WeakPolarHBondContact CA-O 3.43Å; W238-G281 VanDerWaalsContact CE3-CA 3.42Å; W238-G281 VanDerWaalsContact CE3-O 3.27Å; G239-G281 PolarHBondContact N-O 2.88Å
282L98.4Very high97.8Very high5 Ų532 Ų323%0.02619%0.193CC..  trans-103.1170.6172.9-55.4-175.7000110.4N216 L236 D237 Y245 I273 G280 I284N216-L282 HydrophobicContact CB-CD2 3.98Å; N216-L282 HydrophobicContact CB-CG 4.42Å; L236-L282 HydrophobicContact CB-CD2 4.19Å; L236-L282 HydrophobicContact CD1-CD1 3.68Å; D237-L282 WeakPolarHBondContact O-CD2 3.36Å; Y245-L282 HydrophobicContact CD2-CD1 4.45Å; Y245-L282 HydrophobicContact CE2-CD1 4.34Å; I273-L282 HydrophobicContact CB-CB 4.46Å; I273-L282 HydrophobicContact CB-CD1 3.93Å; I273-L282 HydrophobicContact CG2-CD1 3.77Å; I273-L282 WeakPolarHBondContact O-CB 3.4Å; G280-L282 VanDerWaalsContact C-N 3.28Å; G280-L282 PolarHBondContact O-N 3.03Å; L282-I284 HydrophobicContact CB-CG1 4.24Å
283S98.5Very high97.8Very high39 Ų3932.1 Ų32.127%0.27319%0.194SC..BIsolated β-bridgetrans-122.245.9-176.3-70.80000111.8T240 D275T240-S283 CarbonylContact O-C 3.55Å; T240-S283 PolarHBondContact O-N 3.38Å; D275-S283 PolarHBondContact OD1-OG 3.37Å
284I98.8Very high97.9Very high0 Ų032.6 Ų32.60%020%0.196CC..BIsolated β-bridgetrans-83.6132.9-179.6-49.7-52.4000110.3T240 D242 Y245 I273 L274 D275 L282 I289T240-I284 WeakPolarHBondContact O-CD1 3.39Å; D242-I284 WeakPolarHBondContact OD1-CA 3.33Å; D242-I284 WeakPolarHBondContact OD1-CG2 3.27Å; Y245-I284 HydrophobicContact CD1-CD1 4.04Å; Y245-I284 HydrophobicContact CD1-CG1 4.32Å; Y245-I284 HydrophobicContact CD1-CG2 4.42Å; Y245-I284 HydrophobicContact CD2-CD1 3.73Å; Y245-I284 HydrophobicContact CD2-CG1 4Å; Y245-I284 HydrophobicContact CE2-CG1 4.41Å; Y245-I284 HydrophobicContact CG-CD1 3.42Å; Y245-I284 VanDerWaalsContact CG-CD1 3.42Å; Y245-I284 HydrophobicContact CG-CG1 3.98Å; I273-I284 HydrophobicContact CB-CG1 4.08Å; I273-I284 HydrophobicContact CD1-CB 4.36Å; I273-I284 HydrophobicContact CD1-CG1 4.2Å; I273-I284 HydrophobicContact CD1-CG2 4.22Å; I273-I284 HydrophobicContact CG1-CB 4.26Å; I273-I284 HydrophobicContact CG1-CG1 4.24Å; I273-I284 VanDerWaalsContact O-CB 3.28Å; I273-I284 WeakPolarHBondContact O-CB 3.36Å; I273-I284 WeakPolarHBondContact O-CG1 3.42Å; I273-I284 PolarHBondContact O-N 3.08Å; L274-I284 WeakPolarHBondContact CA-O 3.15Å; L274-I284 VanDerWaalsContact CD1-O 3.3Å; L274-I284 WeakPolarHBondContact CD1-O 3.14Å; D275-I284 PolarHBondContact N-O 3.1Å; L282-I284 HydrophobicContact CB-CG1 4.24Å; I284-I289 HydrophobicContact CG2-CG1 4.07Å
285S98.8Very high97.9Very high29 Ų2933.5 Ų33.520%0.20320%0.201CC..  trans-74.3161.6177.580.30000111.8D242 Q287 G288 I289D242-S285 PolarHBondContact OD1-N 2.88Å; D242-S285 PolarHBondContact OD1-OG 3.47Å; D242-S285 WeakPolarHBondContact OD2-CB 3.17Å; D242-S285 PolarHBondContact OD2-OG 2.95Å; S285-Q287 PolarHBondContact O-N 3.19Å; S285-Q287 PolarHBondContact OG-N 3.38Å; S285-G288 WeakPolarHBondContact O-CA 3.3Å; S285-G288 PolarHBondContact O-N 3.04Å; S285-G288 PolarHBondContact OG-N 2.9Å; S285-I289 PolarHBondContact O-N 3.38Å; S285-I289 VanDerWaalsContact O-N 3.11Å
286P98.7Very high97.9Very high44 Ų4429.7 Ų29.729%0.28618%0.18SC..Hα-helixtrans-51.4-41.5169.8-28.136.5000113.3L274 G288 I289 V290 I322L274-P286 HydrophobicContact CD1-CG 4.12Å; P286-G288 VanDerWaalsContact C-N 3.35Å; P286-I289 PolarHBondContact O-N 2.95Å; P286-V290 WeakPolarHBondContact O-CG2 3.17Å; P286-V290 PolarHBondContact O-N 3.2Å; P286-V290 VanDerWaalsContact O-N 3.17Å; P286-I322 HydrophobicContact CB-CD1 3.89Å; P286-I322 HydrophobicContact CB-CG1 4.03Å; P286-I322 HydrophobicContact CG-CD1 4.02Å
287Q98.8Very high98.1Very high137 Ų13727.2 Ų27.264%0.6415%0.153SC*.Hα-helixtrans-68.6-35.2178-7075.11100111.6S285 I289 V290 K291S285-Q287 PolarHBondContact O-N 3.19Å; S285-Q287 PolarHBondContact OG-N 3.38Å; Q287-I289 VanDerWaalsContact C-N 3.35Å; Q287-V290 PolarHBondContact O-N 3.23Å; Q287-K291 WeakPolarHBondContact O-CB 3.33Å; Q287-K291 PolarHBondContact O-N 2.99Å
288G98.8Very high98.2Very high1 Ų131.4 Ų31.41%0.0117%0.169CC..Hα-helixtrans-57.5-45.7171.700000112L246 S285 P286 K291 R292L246-G288 WeakPolarHBondContact CD2-O 3.42Å; S285-G288 WeakPolarHBondContact O-CA 3.3Å; S285-G288 PolarHBondContact O-N 3.04Å; S285-G288 PolarHBondContact OG-N 2.9Å; P286-G288 VanDerWaalsContact C-N 3.35Å; G288-K291 PolarHBondContact O-N 3.24Å; G288-R292 WeakPolarHBondContact O-CB 3.49Å; G288-R292 PolarHBondContact O-N 3.02Å
289I98.8Very high98.4Very high0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-62.8-46.8176.7-63.5179.3000111.6T271 I273 L274 I284 S285 P286 Q287 K291 R292 D293 I322T271-I289 HydrophobicContact CG2-CD1 4.46Å; T271-I289 HydrophobicContact CG2-CG2 4.03Å; I273-I289 HydrophobicContact CD1-CG1 4.05Å; I273-I289 HydrophobicContact CG1-CD1 4.14Å; I273-I289 HydrophobicContact CG1-CG1 4.06Å; L274-I289 HydrophobicContact CB-CD1 3.8Å; L274-I289 HydrophobicContact CD1-CD1 3.87Å; L274-I289 HydrophobicContact CG-CD1 4.28Å; I284-I289 HydrophobicContact CG2-CG1 4.07Å; S285-I289 PolarHBondContact O-N 3.38Å; S285-I289 VanDerWaalsContact O-N 3.11Å; P286-I289 PolarHBondContact O-N 2.95Å; Q287-I289 VanDerWaalsContact C-N 3.35Å; I289-K291 VanDerWaalsContact C-N 3.26Å; I289-K291 PolarHBondContact O-N 3.19Å; I289-R292 WeakPolarHBondContact O-CB 3.44Å; I289-R292 PolarHBondContact O-N 3.15Å; I289-D293 PolarHBondContact O-N 2.75Å; I289-D293 VanDerWaalsContact O-N 3.14Å; I289-I322 HydrophobicContact CB-CG2 3.94Å; I289-I322 HydrophobicContact CD1-CG2 4.22Å; I289-I322 HydrophobicContact CG2-CG2 3.81Å
290V98.9Very high98.6Very high27 Ų2724.7 Ų24.716%0.16413%0.128CC..Hα-helixtrans-58.9-41.6176.6172.10000110.9P286 Q287 E294 D325 N329P286-V290 WeakPolarHBondContact O-CG2 3.17Å; P286-V290 PolarHBondContact O-N 3.2Å; P286-V290 VanDerWaalsContact O-N 3.17Å; Q287-V290 PolarHBondContact O-N 3.23Å; V290-E294 PolarHBondContact O-N 3.24Å; V290-D325 HydrophobicContact CG2-CB 4.36Å; V290-N329 HydrophobicContact CG1-CB 3.55Å; V290-N329 WeakPolarHBondContact CG1-ND2 3.21Å
291K98.9Very high98.6Very high82 Ų8230.2 Ų30.236%0.35715%0.152SC..Hα-helixtrans-70.8-38.2-179.9-171.458.3177.1-178.20112.6L246 Q287 G288 I289 E294 I295L246-K291 HydrophobicContact CD1-CB 4.1Å; L246-K291 HydrophobicContact CD1-CG 3.96Å; L246-K291 HydrophobicContact CD2-CB 4.12Å; L246-K291 HydrophobicContact CD2-CG 4.21Å; Q287-K291 WeakPolarHBondContact O-CB 3.33Å; Q287-K291 PolarHBondContact O-N 2.99Å; G288-K291 PolarHBondContact O-N 3.24Å; I289-K291 VanDerWaalsContact C-N 3.26Å; I289-K291 PolarHBondContact O-N 3.19Å; K291-E294 IonicContact NZ-OE1 3.46Å; K291-E294 PolarHBondContact NZ-OE1 2.77Å; K291-E294 IonicContact NZ-OE2 3.66Å; K291-E294 WeakPolarHBondContact O-CB 3.42Å; K291-E294 PolarHBondContact O-N 3.12Å; K291-I295 HydrophobicContact CG-CD1 4.22Å; K291-I295 VanDerWaalsContact O-CG1 3.31Å; K291-I295 WeakPolarHBondContact O-CG1 3.4Å; K291-I295 PolarHBondContact O-N 3.21Å
292R98.9Very high98.5Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-55.3-52.3174173.9-158.769.9172.43.9111L191 Y245 L246 V249 Y267 A269 G270 G288 I289 E294 I295 V296L191-R292 HydrophobicContact CD1-CG 3.53Å; L191-R292 PolarHBondContact O-NH1 2.91Å; Y245-R292 HydrophobicContact CE1-CB 4.07Å; Y245-R292 HydrophobicContact CE1-CG 3.85Å; Y245-R292 WeakPolarHBondContact OH-CD 2.88Å; L246-R292 HydrophobicContact CD2-CB 4.01Å; V249-R292 HydrophobicContact CG1-CG 4.11Å; V249-R292 HydrophobicContact CG2-CG 4.2Å; Y267-R292 PolarHBondContact OH-NE 3.11Å; A269-R292 PolarHBondContact O-NH2 3Å; G270-R292 PolarHBondContact O-NH1 3.48Å; G288-R292 WeakPolarHBondContact O-CB 3.49Å; G288-R292 PolarHBondContact O-N 3.02Å; I289-R292 WeakPolarHBondContact O-CB 3.44Å; I289-R292 PolarHBondContact O-N 3.15Å; R292-E294 VanDerWaalsContact C-N 3.29Å; R292-E294 PolarHBondContact O-N 3.39Å; R292-I295 WeakPolarHBondContact O-CB 3.23Å; R292-I295 PolarHBondContact O-N 2.99Å; R292-I295 VanDerWaalsContact O-N 3.17Å; R292-V296 PolarHBondContact O-N 2.96Å
293D98.9Very high98.5Very high2 Ų238.4 Ų38.41%0.01118%0.184CC..Hα-helixtrans-62.6-39.6-179-65.5-9.5000110.9Y267 I289 I295 V296 F297 M309 S326Y267-D293 HydrophobicContact CE1-CB 4.41Å; Y267-D293 PolarHBondContact OH-OD1 3.31Å; I289-D293 PolarHBondContact O-N 2.75Å; I289-D293 VanDerWaalsContact O-N 3.14Å; D293-I295 PolarHBondContact O-N 3.07Å; D293-V296 PolarHBondContact O-N 2.94Å; D293-F297 WeakPolarHBondContact O-CD2 3.34Å; D293-F297 PolarHBondContact O-N 2.99Å; D293-M309 WeakPolarHBondContact OD2-CE 3.29Å; D293-S326 WeakPolarHBondContact CB-OG 3.14Å; D293-S326 VanDerWaalsContact CG-OG 3.25Å; D293-S326 WeakPolarHBondContact OD2-CB 3.42Å; D293-S326 PolarHBondContact OD2-OG 3.33Å
294E98.8Very high98.4Very high11 Ų1139.7 Ų39.75%0.05120%0.202CC..Hα-helixtrans-59.9-43.4174.2-170.7-165123.600112.8V290 K291 R292 R298 N329 L330 Q333 L335V290-E294 PolarHBondContact O-N 3.24Å; K291-E294 IonicContact NZ-OE1 3.46Å; K291-E294 PolarHBondContact NZ-OE1 2.77Å; K291-E294 IonicContact NZ-OE2 3.66Å; K291-E294 WeakPolarHBondContact O-CB 3.42Å; K291-E294 PolarHBondContact O-N 3.12Å; R292-E294 VanDerWaalsContact C-N 3.29Å; R292-E294 PolarHBondContact O-N 3.39Å; E294-R298 WeakPolarHBondContact O-CB 3.43Å; E294-R298 PolarHBondContact O-N 3.16Å; E294-R298 IonicContact OE1-CZ 3.24Å; E294-R298 IonicContact OE1-NE 3.47Å; E294-R298 IonicContact OE1-NH2 2.64Å; E294-R298 PolarHBondContact OE1-NH2 3.31Å; E294-N329 PolarHBondContact OE2-ND2 3.2Å; E294-L330 HydrophobicContact CB-CD2 4.46Å; E294-Q333 HydrophobicContact CG-CG 4.18Å; E294-L335 HydrophobicContact CB-CD1 4.5Å; E294-L335 HydrophobicContact CG-CD1 3.72Å
295I98.9Very high98.4Very high19 Ų1940.2 Ų40.210%0.09721%0.205CC..Hα-helixtrans-59-49.3178-71.3163.3000110.1L246 V249 E250 K291 R292 D293 R298 A299L246-I295 HydrophobicContact CB-CD1 4.37Å; L246-I295 HydrophobicContact CD2-CD1 3.98Å; V249-I295 HydrophobicContact CG1-CB 4.45Å; V249-I295 HydrophobicContact CG1-CG2 4.07Å; E250-I295 HydrophobicContact CB-CG2 4.02Å; E250-I295 HydrophobicContact CG-CG2 4.35Å; K291-I295 HydrophobicContact CG-CD1 4.22Å; K291-I295 VanDerWaalsContact O-CG1 3.31Å; K291-I295 WeakPolarHBondContact O-CG1 3.4Å; K291-I295 PolarHBondContact O-N 3.21Å; R292-I295 WeakPolarHBondContact O-CB 3.23Å; R292-I295 PolarHBondContact O-N 2.99Å; R292-I295 VanDerWaalsContact O-N 3.17Å; D293-I295 PolarHBondContact O-N 3.07Å; I295-R298 PolarHBondContact O-N 3.43Å; I295-A299 WeakPolarHBondContact O-CB 3.29Å; I295-A299 PolarHBondContact O-N 3.02Å
296V98.9Very high98.4Very high1 Ų140 Ų401%0.00620%0.203CC..Hα-helixtrans-64.9-46.6-177.8-1800000111.3I189 L191 V249 Y267 R292 D293 R298 A299 A300 I307I189-V296 HydrophobicContact CD1-CG1 4.22Å; L191-V296 HydrophobicContact CD1-CG2 3.91Å; V249-V296 HydrophobicContact CG1-CG2 4.24Å; Y267-V296 HydrophobicContact CD1-CB 4.42Å; Y267-V296 HydrophobicContact CD1-CG1 4Å; Y267-V296 HydrophobicContact CD2-CG1 3.98Å; Y267-V296 HydrophobicContact CD2-CG2 4.45Å; Y267-V296 HydrophobicContact CE1-CB 4.24Å; Y267-V296 HydrophobicContact CE1-CG1 4.31Å; Y267-V296 HydrophobicContact CE1-CG2 4.49Å; Y267-V296 HydrophobicContact CE2-CB 4.49Å; Y267-V296 HydrophobicContact CE2-CG1 4.33Å; Y267-V296 HydrophobicContact CE2-CG2 4.03Å; Y267-V296 HydrophobicContact CG-CG1 3.84Å; R292-V296 PolarHBondContact O-N 2.96Å; D293-V296 PolarHBondContact O-N 2.94Å; V296-R298 VanDerWaalsContact C-N 3.32Å; V296-R298 PolarHBondContact O-N 2.61Å; V296-A299 PolarHBondContact O-N 3.02Å; V296-A300 PolarHBondContact O-N 3.22Å; V296-I307 HydrophobicContact CG1-CD1 3.83Å
297F98.8Very high98.4Very high4 Ų438 Ų382%0.01819%0.19CC..Hα-helixtrans-64.9-35.8177.6-91.5-100.1000112.6W144 I146 Y267 D293 K301 I307 M309 L330 L335 I336W144-F297 HydrophobicContact CB-CE1 4.25Å; I146-F297 HydrophobicContact CD1-CZ 4.44Å; I146-F297 HydrophobicContact CG1-CZ 4.44Å; Y267-F297 HydrophobicContact CD1-CE2 4.15Å; D293-F297 WeakPolarHBondContact O-CD2 3.34Å; D293-F297 PolarHBondContact O-N 2.99Å; F297-K301 VanDerWaalsContact O-CB 3.23Å; F297-K301 WeakPolarHBondContact O-CB 3.28Å; F297-K301 PolarHBondContact O-N 3.15Å; F297-I307 HydrophobicContact CD1-CG2 3.87Å; F297-I307 HydrophobicContact CD2-CD1 4.05Å; F297-I307 HydrophobicContact CE1-CG2 3.61Å; F297-I307 HydrophobicContact CE2-CD1 4.05Å; F297-I307 HydrophobicContact CG-CD1 4.33Å; F297-I307 HydrophobicContact CZ-CD1 4.33Å; F297-I307 HydrophobicContact CZ-CG2 4.14Å; F297-M309 HydrophobicContact CE2-CB 4.11Å; F297-M309 HydrophobicContact CE2-CG 4.33Å; F297-M309 HydrophobicContact CE2-SD 3.72Å; F297-M309 HydrophobicContact CZ-CB 4.02Å; F297-M309 HydrophobicContact CZ-SD 4.11Å; F297-L330 HydrophobicContact CB-CD2 3.67Å; F297-L330 HydrophobicContact CD1-CD1 4.14Å; F297-L330 HydrophobicContact CD1-CD2 4.42Å; F297-L330 HydrophobicContact CD2-CD1 3.6Å; F297-L330 HydrophobicContact CD2-CD2 3.91Å; F297-L330 HydrophobicContact CD2-CG 4.43Å; F297-L330 HydrophobicContact CE1-CD1 4.1Å; F297-L330 HydrophobicContact CE2-CD1 3.56Å; F297-L330 HydrophobicContact CG-CD1 3.9Å; F297-L330 HydrophobicContact CG-CD2 3.75Å; F297-L330 HydrophobicContact CG-CG 4.44Å; F297-L330 HydrophobicContact CZ-CD1 3.81Å; F297-L335 HydrophobicContact CB-CB 4.23Å; F297-L335 HydrophobicContact CB-CD1 3.93Å; F297-I336 HydrophobicContact CD1-CG2 3.73Å; F297-I336 HydrophobicContact CE1-CG2 3.47Å; F297-I336 VanDerWaalsContact CE1-CG2 3.47Å; F297-I336 HydrophobicContact CZ-CG2 4.43Å
298R98.6Very high98.4Very high101 Ų10131.5 Ų31.538%0.38116%0.16SC..Hα-helixtrans-64.2-46.1174.9-175.1-176.7-63.8-133.5-1.4110.9E294 I295 V296 A300 K301 Q302 L335E294-R298 WeakPolarHBondContact O-CB 3.43Å; E294-R298 PolarHBondContact O-N 3.16Å; E294-R298 IonicContact OE1-CZ 3.24Å; E294-R298 IonicContact OE1-NE 3.47Å; E294-R298 IonicContact OE1-NH2 2.64Å; E294-R298 PolarHBondContact OE1-NH2 3.31Å; I295-R298 PolarHBondContact O-N 3.43Å; V296-R298 VanDerWaalsContact C-N 3.32Å; V296-R298 PolarHBondContact O-N 2.61Å; R298-A300 PolarHBondContact O-N 3.45Å; R298-K301 PolarHBondContact O-N 3.45Å; R298-Q302 HydrophobicContact CG-CG 4.4Å; R298-Q302 WeakPolarHBondContact O-CB 3.38Å; R298-Q302 VanDerWaalsContact O-CG 3.24Å; R298-Q302 WeakPolarHBondContact O-CG 3.48Å; R298-Q302 PolarHBondContact O-N 3.45Å; R298-L335 HydrophobicContact CB-CD1 4.42Å; R298-L335 HydrophobicContact CB-CD2 4.27Å
299A98.3Very high98.4Very high1 Ų131.6 Ų31.61%0.00816%0.16CC..Hα-helixtrans-60.6-42.9177.800000112.2E254 L257 I295 V296 R303E254-A299 VanDerWaalsContact OE1-CB 3.23Å; E254-A299 WeakPolarHBondContact OE1-CB 3.33Å; L257-A299 HydrophobicContact CD1-CB 3.96Å; I295-A299 WeakPolarHBondContact O-CB 3.29Å; I295-A299 PolarHBondContact O-N 3.02Å; V296-A299 PolarHBondContact O-N 3.02Å; A299-R303 PolarHBondContact O-NH1 3.01Å
300A98.3Very high98.4Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-63-51.1174.900000111.8I265 V296 R298 Q302 R303 G304 I305 I307I265-A300 HydrophobicContact CD1-CB 3.59Å; V296-A300 PolarHBondContact O-N 3.22Å; R298-A300 PolarHBondContact O-N 3.45Å; A300-Q302 PolarHBondContact O-N 3.34Å; A300-R303 PolarHBondContact O-N 2.99Å; A300-G304 PolarHBondContact O-N 2.99Å; A300-G304 VanDerWaalsContact O-N 3.09Å; A300-I305 PolarHBondContact O-N 2.8Å; A300-I307 HydrophobicContact CB-CB 4.12Å; A300-I307 HydrophobicContact CB-CD1 4.13Å; A300-I307 HydrophobicContact CB-CG2 4.29Å
301K97Very high98.2Very high116 Ų11630.3 Ų30.350%0.50415%0.152SC..Hα-helixtrans-64.4-41.6-176.8-173.3177.1-179.1-172.60112.8F297 R298 R303 G304 G334 L335F297-K301 VanDerWaalsContact O-CB 3.23Å; F297-K301 WeakPolarHBondContact O-CB 3.28Å; F297-K301 PolarHBondContact O-N 3.15Å; R298-K301 PolarHBondContact O-N 3.45Å; K301-R303 PolarHBondContact O-N 3.04Å; K301-G304 PolarHBondContact O-N 3.46Å; K301-G334 PolarHBondContact NZ-O 3.23Å; K301-L335 HydrophobicContact CB-CD2 4.4Å; K301-L335 HydrophobicContact CD-CD2 3.76Å
302Q96.6Very high98Very high131 Ų13127 Ų2761%0.61214%0.139SC*.Hα-helixtrans-59.2-31.6177.5-77.3174.2-4.600112.5R298 A300R298-Q302 HydrophobicContact CG-CG 4.4Å; R298-Q302 WeakPolarHBondContact O-CB 3.38Å; R298-Q302 VanDerWaalsContact O-CG 3.24Å; R298-Q302 WeakPolarHBondContact O-CG 3.48Å; R298-Q302 PolarHBondContact O-N 3.45Å; A300-Q302 PolarHBondContact O-N 3.34Å
303R97.3Very high97.5Very high62 Ų6227.1 Ų27.123%0.23414%0.141CC..Hα-helixtrans-92.8-4.8178.5-66.9171.6172.774.43113.5E254 N258 A299 A300 K301 I305E254-R303 IonicContact OE1-CZ 2.64Å; E254-R303 IonicContact OE1-NH1 2.96Å; E254-R303 PolarHBondContact OE1-NH1 3.09Å; E254-R303 IonicContact OE1-NH2 3.85Å; E254-R303 IonicContact OE2-CZ 3.49Å; E254-R303 IonicContact OE2-NH1 2.8Å; E254-R303 PolarHBondContact OE2-NH1 3.28Å; E254-R303 VanDerWaalsContact OE2-NH1 3.15Å; E254-R303 IonicContact OE2-NH2 2.82Å; E254-R303 PolarHBondContact OE2-NH2 3.23Å; N258-R303 PolarHBondContact OD1-NH2 2.89Å; A299-R303 PolarHBondContact O-NH1 3.01Å; A300-R303 PolarHBondContact O-N 2.99Å; K301-R303 PolarHBondContact O-N 3.04Å; R303-I305 VanDerWaalsContact C-N 3.25Å; R303-I305 HydrophobicContact CB-CD1 3.6Å; R303-I305 HydrophobicContact CB-CG1 3.75Å; R303-I305 HydrophobicContact CG-CD1 4.4Å; R303-I305 PolarHBondContact O-N 3.17Å
304G96.8Very high97.1Very high65 Ų6527 Ų2767%0.6714%0.14SC*.THydrogen-bonded Turntrans63.729.9-174.700000113.3A300 K301A300-G304 PolarHBondContact O-N 2.99Å; A300-G304 VanDerWaalsContact O-N 3.09Å; K301-G304 PolarHBondContact O-N 3.46Å
305I98.4Very high96.6Very high11 Ų1127.6 Ų27.66%0.05614%0.142CC..  trans-93.4126.4-179.4-59.7167.8000109L257 P262 I265 A300 R303L257-I305 HydrophobicContact CD2-CD1 4.3Å; P262-I305 HydrophobicContact CG-CD1 4.12Å; P262-I305 HydrophobicContact CG-CG2 4.06Å; I265-I305 HydrophobicContact CD1-CB 4.12Å; I265-I305 HydrophobicContact CD1-CD1 4.49Å; I265-I305 HydrophobicContact CD1-CG2 3.77Å; I265-I305 HydrophobicContact CG1-CG2 3.79Å; A300-I305 PolarHBondContact O-N 2.8Å; R303-I305 VanDerWaalsContact C-N 3.25Å; R303-I305 HydrophobicContact CB-CD1 3.6Å; R303-I305 HydrophobicContact CB-CG1 3.75Å; R303-I305 HydrophobicContact CG-CD1 4.4Å; R303-I305 PolarHBondContact O-N 3.17Å
306P98.6Very high96.1Very high24 Ų2428.3 Ų28.316%0.15615%0.145CC..  trans-51.4137.7169.3-31.538.5000113.6A139 G143 D263 I264 I265A139-P306 WeakPolarHBondContact O-CB 3.3Å; G143-P306 WeakPolarHBondContact O-CA 3.26Å; D263-P306 WeakPolarHBondContact O-CD 3.41Å; I264-P306 WeakPolarHBondContact CA-O 3.4Å; I264-P306 HydrophobicContact CG1-CB 4.23Å; I265-P306 PolarHBondContact N-O 3.39Å
307I98.9Very high95.6Very high4 Ų437.1 Ų37.12%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-127.6124.3178.4-175.3166.5000112.7A139 G143 W144 A145 I265 Y267 V296 F297 A300A139-I307 WeakPolarHBondContact CB-O 3.43Å; G143-I307 PolarHBondContact O-N 3.35Å; W144-I307 CarbonylContact C-O 3.28Å; W144-I307 WeakPolarHBondContact CA-O 3.44Å; W144-I307 HydrophobicContact CB-CG2 3.91Å; A145-I307 PolarHBondContact N-O 2.9Å; I265-I307 HydrophobicContact CB-CB 4.36Å; I265-I307 HydrophobicContact CB-CG1 4.18Å; I265-I307 HydrophobicContact CG2-CD1 4.15Å; I265-I307 HydrophobicContact CG2-CG1 4.08Å; I265-I307 WeakPolarHBondContact O-CA 3.47Å; Y267-I307 HydrophobicContact CD1-CD1 4.33Å; Y267-I307 HydrophobicContact CG-CD1 4.44Å; V296-I307 HydrophobicContact CG1-CD1 3.83Å; F297-I307 HydrophobicContact CD1-CG2 3.87Å; F297-I307 HydrophobicContact CD2-CD1 4.05Å; F297-I307 HydrophobicContact CE1-CG2 3.61Å; F297-I307 HydrophobicContact CE2-CD1 4.05Å; F297-I307 HydrophobicContact CG-CD1 4.33Å; F297-I307 HydrophobicContact CZ-CD1 4.33Å; F297-I307 HydrophobicContact CZ-CG2 4.14Å; A300-I307 HydrophobicContact CB-CB 4.12Å; A300-I307 HydrophobicContact CB-CD1 4.13Å; A300-I307 HydrophobicContact CB-CG2 4.29Å
308L98.9Very high95.2Very high0 Ų041.1 Ų41.10%020%0.2CC..EExtended strand (participates in β ladder)trans-97.3121.2166.3164.360.3000108.4T132 A135 A139 A172 I264 I265 V266 Y267 V310T132-L308 HydrophobicContact CG2-CD2 4.11Å; A135-L308 HydrophobicContact CB-CD1 3.31Å; A139-L308 HydrophobicContact CB-CB 4.13Å; A172-L308 HydrophobicContact CB-CD2 4.36Å; I264-L308 HydrophobicContact CD1-CB 4.33Å; I265-L308 PolarHBondContact O-N 2.92Å; V266-L308 HydrophobicContact CG1-CD2 4.1Å; V266-L308 HydrophobicContact CG1-CG 4.4Å; V266-L308 HydrophobicContact CG2-CD2 4.31Å; Y267-L308 PolarHBondContact N-O 3.14Å; L308-V310 HydrophobicContact CD1-CG1 4.38Å
309M98.9Very high95Very high2 Ų236.3 Ų36.31%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-103.9136.3170.5-177.2-173.1-179.900110.9A145 I146 N147 Y267 A269 D293 F297A145-M309 PolarHBondContact O-N 3.42Å; I146-M309 WeakPolarHBondContact CA-O 3.48Å; I146-M309 HydrophobicContact CB-CB 4.49Å; I146-M309 HydrophobicContact CD1-SD 4.08Å; I146-M309 HydrophobicContact CG1-CB 4.12Å; I146-M309 HydrophobicContact CG1-SD 4.3Å; I146-M309 HydrophobicContact CG2-CB 4.3Å; I146-M309 HydrophobicContact CG2-CG 4.39Å; I146-M309 HydrophobicContact CG2-SD 4.2Å; N147-M309 PolarHBondContact N-O 2.8Å; Y267-M309 HydrophobicContact CD1-CB 4.24Å; Y267-M309 HydrophobicContact CD1-CG 3.83Å; Y267-M309 HydrophobicContact CD1-SD 4.46Å; Y267-M309 HydrophobicContact CE1-CE 4.34Å; Y267-M309 HydrophobicContact CE1-CG 4.28Å; Y267-M309 HydrophobicContact CE1-SD 4.49Å; Y267-M309 WeakPolarHBondContact O-CA 3.28Å; A269-M309 HydrophobicContact CB-CE 3.36Å; A269-M309 HydrophobicContact CB-CG 3.97Å; A269-M309 HydrophobicContact CB-SD 4.46Å; D293-M309 WeakPolarHBondContact OD2-CE 3.29Å; F297-M309 HydrophobicContact CE2-CB 4.11Å; F297-M309 HydrophobicContact CE2-CG 4.33Å; F297-M309 HydrophobicContact CE2-SD 3.72Å; F297-M309 HydrophobicContact CZ-CB 4.02Å; F297-M309 HydrophobicContact CZ-SD 4.11Å
310V98.8Very high94.8Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-125.8150.6167.9-65.60000108.9T132 N147 G151 I169 Y267 N268 A269 L308T132-V310 HydrophobicContact CG2-CG1 3.73Å; N147-V310 HydrophobicContact CB-CG1 4.23Å; G151-V310 VanDerWaalsContact CA-CG2 3.5Å; I169-V310 HydrophobicContact CD1-CG2 4.41Å; I169-V310 HydrophobicContact CG1-CG2 4.46Å; Y267-V310 PolarHBondContact O-N 3.27Å; N268-V310 HydrophobicContact CB-CG2 4.21Å; N268-V310 VanDerWaalsContact OD1-CG2 3.28Å; N268-V310 WeakPolarHBondContact OD1-CG2 3.2Å; A269-V310 WeakPolarHBondContact CB-O 3.16Å; A269-V310 PolarHBondContact N-O 3.17Å; L308-V310 HydrophobicContact CD1-CG1 4.38Å
311T95.5Very high94.8Very high0 Ų040.2 Ų40.20%020%0.197CC..  trans-99.2-21.4-165.5530000115.2W53 V148 G270 I323W53-T311 WeakPolarHBondContact CH2-OG1 3.15Å; W53-T311 HydrophobicContact CZ3-CG2 4.48Å; W53-T311 WeakPolarHBondContact CZ3-OG1 3.31Å; V148-T311 VanDerWaalsContact C-OG1 3.27Å; V148-T311 PolarHBondContact O-OG1 3.22Å; G270-T311 WeakPolarHBondContact CA-O 3.29Å; T311-I323 HydrophobicContact CG2-CD1 4.36Å; T311-I323 HydrophobicContact CG2-CG2 3.94Å
312S93.4Very high94.8Very high12 Ų1235 Ų358%0.08418%0.175CC..  trans49.3-133.5169.2-161.40000116K52 W53 G150 G151 D192 N268K52-S312 PolarHBondContact NZ-O 3.27Å; W53-S312 WeakPolarHBondContact CH2-O 3.02Å; G150-S312 WeakPolarHBondContact O-CA 3.3Å; G150-S312 PolarHBondContact O-N 3.11Å; G151-S312 WeakPolarHBondContact O-CB 3.42Å; G151-S312 PolarHBondContact O-OG 3.26Å; D192-S312 PolarHBondContact OD2-OG 3.24Å; N268-S312 WeakPolarHBondContact OD1-CB 3.49Å; N268-S312 PolarHBondContact OD1-OG 3.34Å
313G88.9Confident94.9Very high3 Ų328.9 Ų28.93%0.03115%0.146CC..  trans-61.3-179.1-176.200000115K52 D192 T271K52-G313 PolarHBondContact NZ-O 3.22Å; D192-G313 WeakPolarHBondContact OD2-CA 3.44Å; D192-G313 PolarHBondContact OD2-N 3.49Å; D192-G313 VanDerWaalsContact OD2-N 3.13Å; T271-G313 PolarHBondContact N-O 3.28Å; T271-G313 VanDerWaalsContact N-O 3.09Å; T271-G313 PolarHBondContact OG1-O 3.05Å
314G90.6Very high95Very high0 Ų026 Ų260%014%0.135CC..  trans113.2115.7-17700000111.8K52 T271K52-G314 PolarHBondContact NZ-O 3.03Å; K52-G314 VanDerWaalsContact NZ-O 3.09Å; T271-G314 WeakPolarHBondContact OG1-CA 3.13Å
315Y87.6Confident95.1Very high24 Ų2425.5 Ų25.59%0.09412%0.117CC..  trans-121.48.8-160.4-52.7-79.9000112.1P47 F48 F163 D272 D277 L279P47-Y315 WeakPolarHBondContact O-CB 3.41Å; F48-Y315 HydrophobicContact CB-CD1 4.08Å; F48-Y315 HydrophobicContact CB-CE1 4.28Å; F48-Y315 AromaticContact CD2-CD1 3.93Å; F48-Y315 HydrophobicContact CD2-CD1 3.93Å; F48-Y315 AromaticContact CD2-CE1 3.74Å; F48-Y315 HydrophobicContact CD2-CE1 3.74Å; F163-Y315 HydrophobicContact CD2-CE1 4.06Å; F163-Y315 AromaticContact CE2-CE1 3.81Å; F163-Y315 HydrophobicContact CE2-CE1 3.81Å; F163-Y315 AromaticContact CE2-CZ 3.92Å; D272-Y315 HydrophobicContact CB-CD2 3.76Å; D272-Y315 HydrophobicContact CB-CE2 3.57Å; D277-Y315 WeakPolarHBondContact OD1-CD2 3.29Å; D277-Y315 PolarHBondContact OD2-N 3.4Å; L279-Y315 HydrophobicContact CB-CD2 4.05Å; L279-Y315 HydrophobicContact CB-CE2 4Å; L279-Y315 HydrophobicContact CD1-CD1 4.17Å; L279-Y315 HydrophobicContact CD1-CD2 3.85Å; L279-Y315 HydrophobicContact CD1-CE1 4.01Å; L279-Y315 HydrophobicContact CD1-CE2 3.69Å; L279-Y315 HydrophobicContact CD1-CG 4.1Å; L279-Y315 HydrophobicContact CG-CD2 4.15Å; L279-Y315 HydrophobicContact CG-CE2 4.28Å
316Q89.6Confident95.1Very high34 Ų3425 Ų2516%0.15911%0.114CC..SBendtrans-97.5146.4176-60.6-168.259.100111.9L274 D275 D277 K318 T319L274-Q316 HydrophobicContact CD2-CB 4.45Å; L274-Q316 PolarHBondContact O-NE2 3.2Å; D275-Q316 PolarHBondContact O-NE2 2.89Å; D277-Q316 VanDerWaalsContact CA-NE2 3.34Å; D277-Q316 HydrophobicContact CB-CG 4.36Å; Q316-K318 HydrophobicContact CB-CG 4.02Å; Q316-K318 VanDerWaalsContact CD-CE 3.47Å; Q316-K318 PolarHBondContact O-N 3.31Å; Q316-T319 WeakPolarHBondContact O-CB 3.11Å; Q316-T319 PolarHBondContact O-N 3.07Å; Q316-T319 PolarHBondContact O-OG1 3.22Å; Q316-T319 VanDerWaalsContact O-OG1 3.07Å
317K87Confident95.1Very high186 Ų18623.8 Ų23.881%0.80911%0.107SC*.THydrogen-bonded Turntrans-59.2-31.5177.5-66.8180-177.8172.70113.2T319K317-T319 VanDerWaalsContact C-N 3.26Å; K317-T319 PolarHBondContact O-N 3Å
318K92Very high95Very high87 Ų8725 Ų2538%0.37811%0.113SC..THydrogen-bonded Turntrans-70.8-19.9178.555.4171.6167.4165.50113.1L274 D275 Q316 A320 R321 I322L274-K318 HydrophobicContact CD2-CD 3.88Å; L274-K318 VanDerWaalsContact CD2-CE 3.48Å; L274-K318 HydrophobicContact CD2-CG 3.91Å; D275-K318 PolarHBondContact O-NZ 3.11Å; Q316-K318 HydrophobicContact CB-CG 4.02Å; Q316-K318 VanDerWaalsContact CD-CE 3.47Å; Q316-K318 PolarHBondContact O-N 3.31Å; K318-A320 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 3Å; K318-R321 PolarHBondContact O-N 3.28Å; K318-I322 HydrophobicContact CB-CD1 4.44Å; K318-I322 HydrophobicContact CD-CD1 4.23Å; K318-I322 HydrophobicContact CG-CD1 4.19Å; K318-I322 WeakPolarHBondContact O-CG1 3.47Å; K318-I322 PolarHBondContact O-N 3.28Å
319T93.1Very high95Very high0 Ų026 Ų260%012%0.119CC..Hα-helixtrans-53.6-43.6-177.5-67.60000113K52 T271 Q316 K317 R321 I322 I323K52-T319 HydrophobicContact CD-CG2 3.49Å; K52-T319 VanDerWaalsContact CD-CG2 3.49Å; K52-T319 HydrophobicContact CG-CG2 4.45Å; T271-T319 HydrophobicContact CG2-CG2 4.28Å; T271-T319 WeakPolarHBondContact OG1-CG2 3.38Å; Q316-T319 WeakPolarHBondContact O-CB 3.11Å; Q316-T319 PolarHBondContact O-N 3.07Å; Q316-T319 PolarHBondContact O-OG1 3.22Å; Q316-T319 VanDerWaalsContact O-OG1 3.07Å; K317-T319 VanDerWaalsContact C-N 3.26Å; K317-T319 PolarHBondContact O-N 3Å; T319-R321 VanDerWaalsContact C-N 3.26Å; T319-R321 PolarHBondContact O-N 3.31Å; T319-I322 PolarHBondContact O-N 3.12Å; T319-I322 VanDerWaalsContact O-N 3.12Å; T319-I323 HydrophobicContact CG2-CD1 3.7Å; T319-I323 HydrophobicContact CG2-CG1 4.22Å; T319-I323 WeakPolarHBondContact O-CG1 3.41Å; T319-I323 PolarHBondContact O-N 3.43Å
320A95.3Very high95Very high1 Ų125.9 Ų25.91%0.00812%0.118CC..Hα-helixtrans-59.9-36.3-179.200000112.9K52 K55 V56 F59 K318 A324K52-A320 HydrophobicContact CG-CB 4.13Å; K55-A320 HydrophobicContact CB-CB 3.61Å; K55-A320 HydrophobicContact CD-CB 4.29Å; V56-A320 HydrophobicContact CG2-CB 4.09Å; V56-A320 WeakPolarHBondContact CG2-O 3.28Å; F59-A320 HydrophobicContact CE2-CB 4.12Å; K318-A320 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 3Å; A320-A324 PolarHBondContact O-N 2.59Å
321R97.4Very high94.9Very high82 Ų8231.3 Ų31.331%0.30914%0.139SC..Hα-helixtrans-71.9-41.2176.2-178.365.3-161.3-161.88.4110.9F59 E63 K318 T319 I323 A324 D325F59-R321 HydrophobicContact CD2-CB 4.21Å; F59-R321 HydrophobicContact CE2-CB 3.82Å; F59-R321 HydrophobicContact CZ-CB 4.29Å; E63-R321 IonicContact OE1-CZ 2.9Å; E63-R321 IonicContact OE1-NH1 3.57Å; E63-R321 PolarHBondContact OE1-NH1 3.2Å; E63-R321 IonicContact OE1-NH2 3.89Å; E63-R321 PolarHBondContact OE1-NH2 2.91Å; K318-R321 PolarHBondContact O-N 3.28Å; T319-R321 VanDerWaalsContact C-N 3.26Å; T319-R321 PolarHBondContact O-N 3.31Å; R321-I323 PolarHBondContact O-N 3.06Å; R321-A324 WeakPolarHBondContact O-CB 3.09Å; R321-A324 PolarHBondContact O-N 3.11Å; R321-A324 VanDerWaalsContact O-N 3.14Å; R321-D325 IonicContact CZ-OD1 3.31Å; R321-D325 IonicContact NE-OD1 3.87Å; R321-D325 PolarHBondContact NE-OD1 3.33Å; R321-D325 IonicContact NE-OD2 3.4Å; R321-D325 PolarHBondContact NE-OD2 2.66Å; R321-D325 IonicContact NH2-OD1 3.82Å; R321-D325 PolarHBondContact NH2-OD1 3.37Å; R321-D325 VanDerWaalsContact O-CG 3.27Å; R321-D325 PolarHBondContact O-N 3.43Å
322I98.2Very high95Very high7 Ų738.9 Ų38.94%0.03617%0.174CC..Hα-helixtrans-62.6-42.2179.1-61.8168.6000111.5L274 P286 I289 K318 T319 A324 D325 S326L274-I322 HydrophobicContact CD1-CD1 3.95Å; L274-I322 HydrophobicContact CD2-CD1 3.42Å; L274-I322 VanDerWaalsContact CD2-CD1 3.42Å; L274-I322 HydrophobicContact CG-CD1 4.36Å; P286-I322 HydrophobicContact CB-CD1 3.89Å; P286-I322 HydrophobicContact CB-CG1 4.03Å; P286-I322 HydrophobicContact CG-CD1 4.02Å; I289-I322 HydrophobicContact CB-CG2 3.94Å; I289-I322 HydrophobicContact CD1-CG2 4.22Å; I289-I322 HydrophobicContact CG2-CG2 3.81Å; K318-I322 HydrophobicContact CB-CD1 4.44Å; K318-I322 HydrophobicContact CD-CD1 4.23Å; K318-I322 HydrophobicContact CG-CD1 4.19Å; K318-I322 WeakPolarHBondContact O-CG1 3.47Å; K318-I322 PolarHBondContact O-N 3.28Å; T319-I322 PolarHBondContact O-N 3.12Å; T319-I322 VanDerWaalsContact O-N 3.12Å; I322-A324 VanDerWaalsContact C-N 3.33Å; I322-A324 PolarHBondContact O-N 3.03Å; I322-D325 PolarHBondContact O-N 3.25Å; I322-S326 WeakPolarHBondContact O-CB 3.35Å; I322-S326 PolarHBondContact O-N 3.49Å
323I98.3Very high95.2Very high3 Ų342.5 Ų42.52%0.01519%0.189CC..Hα-helixtrans-60.7-44.7174.2-67168.8000110.3K52 W53 V56 T271 T311 T319 R321 S326 I327K52-I323 HydrophobicContact CD-CD1 4.04Å; K52-I323 HydrophobicContact CG-CD1 4.46Å; W53-I323 HydrophobicContact CZ3-CD1 3.98Å; V56-I323 HydrophobicContact CG1-CG2 3.85Å; V56-I323 HydrophobicContact CG2-CB 3.93Å; V56-I323 HydrophobicContact CG2-CD1 4.31Å; V56-I323 HydrophobicContact CG2-CG2 3.84Å; T271-I323 HydrophobicContact CG2-CD1 4.23Å; T271-I323 HydrophobicContact CG2-CG1 3.79Å; T311-I323 HydrophobicContact CG2-CD1 4.36Å; T311-I323 HydrophobicContact CG2-CG2 3.94Å; T319-I323 HydrophobicContact CG2-CD1 3.7Å; T319-I323 HydrophobicContact CG2-CG1 4.22Å; T319-I323 WeakPolarHBondContact O-CG1 3.41Å; T319-I323 PolarHBondContact O-N 3.43Å; R321-I323 PolarHBondContact O-N 3.06Å; I323-S326 WeakPolarHBondContact O-CB 3.38Å; I323-S326 PolarHBondContact O-N 3.13Å; I323-I327 HydrophobicContact CG2-CD1 4.02Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 3.18Å
324A98.4Very high95.6Very high0 Ų044.1 Ų44.10%021%0.207CC..Hα-helixtrans-63.2-45.7177.100000111.8V56 F59 L60 A320 R321 I322 S326 I327 L328V56-A324 HydrophobicContact CG1-CB 4.48Å; F59-A324 HydrophobicContact CB-CB 3.61Å; F59-A324 HydrophobicContact CD2-CB 4.25Å; F59-A324 HydrophobicContact CG-CB 4.38Å; L60-A324 HydrophobicContact CD2-CB 3.99Å; L60-A324 HydrophobicContact CG-CB 4.32Å; A320-A324 PolarHBondContact O-N 2.59Å; R321-A324 WeakPolarHBondContact O-CB 3.09Å; R321-A324 PolarHBondContact O-N 3.11Å; R321-A324 VanDerWaalsContact O-N 3.14Å; I322-A324 VanDerWaalsContact C-N 3.33Å; I322-A324 PolarHBondContact O-N 3.03Å; A324-S326 VanDerWaalsContact C-N 3.29Å; A324-S326 PolarHBondContact O-N 3.35Å; A324-I327 PolarHBondContact O-N 3.3Å; A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 WeakPolarHBondContact O-CD1 3.4Å; A324-L328 WeakPolarHBondContact O-CG 3.49Å; A324-L328 PolarHBondContact O-N 3.13Å
325D98.6Very high95.9Very high55 Ų5545.2 Ų45.229%0.29421%0.212SC..Hα-helixtrans-61.2-37.6176.9-67.7-26.3000111.5V290 R321 I322 L328 N329V290-D325 HydrophobicContact CG2-CB 4.36Å; R321-D325 IonicContact CZ-OD1 3.31Å; R321-D325 IonicContact NE-OD1 3.87Å; R321-D325 PolarHBondContact NE-OD1 3.33Å; R321-D325 IonicContact NE-OD2 3.4Å; R321-D325 PolarHBondContact NE-OD2 2.66Å; R321-D325 IonicContact NH2-OD1 3.82Å; R321-D325 PolarHBondContact NH2-OD1 3.37Å; R321-D325 VanDerWaalsContact O-CG 3.27Å; R321-D325 PolarHBondContact O-N 3.43Å; I322-D325 PolarHBondContact O-N 3.25Å; D325-L328 PolarHBondContact O-N 3.5Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 2.98Å
326S98.7Very high96.3Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-61.8-51.2173.8177.90000111.7D293 I322 I323 A324 L328 N329 L330D293-S326 WeakPolarHBondContact CB-OG 3.14Å; D293-S326 VanDerWaalsContact CG-OG 3.25Å; D293-S326 WeakPolarHBondContact OD2-CB 3.42Å; D293-S326 PolarHBondContact OD2-OG 3.33Å; I322-S326 WeakPolarHBondContact O-CB 3.35Å; I322-S326 PolarHBondContact O-N 3.49Å; I323-S326 WeakPolarHBondContact O-CB 3.38Å; I323-S326 PolarHBondContact O-N 3.13Å; A324-S326 VanDerWaalsContact C-N 3.29Å; A324-S326 PolarHBondContact O-N 3.35Å; S326-L328 VanDerWaalsContact C-N 3.29Å; S326-L328 PolarHBondContact O-N 3.37Å; S326-N329 WeakPolarHBondContact O-CB 3.36Å; S326-N329 PolarHBondContact O-N 3.2Å; S326-N329 VanDerWaalsContact O-N 3.13Å; S326-L330 WeakPolarHBondContact O-CG 3.48Å; S326-L330 PolarHBondContact O-N 2.9Å
327I98.6Very high96.1Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-59.7-41.4178-67.5169.5000111V56 L60 F65 I146 I323 A324 L330 R331 I336V56-I327 HydrophobicContact CG1-CD1 4.32Å; L60-I327 HydrophobicContact CD1-CD1 4.04Å; L60-I327 HydrophobicContact CD1-CG2 4.2Å; L60-I327 HydrophobicContact CD2-CB 4.1Å; L60-I327 HydrophobicContact CD2-CG2 3.92Å; F65-I327 HydrophobicContact CD1-CG2 4.06Å; F65-I327 HydrophobicContact CE1-CG2 3.6Å; I146-I327 HydrophobicContact CD1-CD1 4.3Å; I146-I327 HydrophobicContact CD1-CG1 3.9Å; I146-I327 HydrophobicContact CD1-CG2 4.37Å; I146-I327 HydrophobicContact CG2-CD1 4.36Å; I323-I327 HydrophobicContact CG2-CD1 4.02Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 3.18Å; A324-I327 PolarHBondContact O-N 3.3Å; I327-L330 PolarHBondContact O-N 2.99Å; I327-R331 PolarHBondContact O-N 3.37Å; I327-R331 VanDerWaalsContact O-N 3.11Å; I327-I336 HydrophobicContact CG2-CD1 3.98Å; I327-I336 WeakPolarHBondContact O-CD1 3.44Å
328L98.4Very high95Very high29 Ų2939.4 Ų39.415%0.15221%0.211CC..Hα-helixtrans-66.6-39176.8-67.5164.8000111.9L60 E63 F65 A324 D325 S326 R331 Q332L60-L328 HydrophobicContact CD2-CD1 4.31Å; L60-L328 HydrophobicContact CD2-CD2 4.12Å; L60-L328 HydrophobicContact CD2-CG 3.87Å; E63-L328 HydrophobicContact CB-CD1 3.93Å; E63-L328 HydrophobicContact CB-CD2 3.97Å; E63-L328 HydrophobicContact CG-CD1 3.67Å; F65-L328 HydrophobicContact CB-CD2 3.84Å; F65-L328 HydrophobicContact CD1-CD2 4.33Å; F65-L328 HydrophobicContact CG-CD2 4.28Å; A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 WeakPolarHBondContact O-CD1 3.4Å; A324-L328 WeakPolarHBondContact O-CG 3.49Å; A324-L328 PolarHBondContact O-N 3.13Å; D325-L328 PolarHBondContact O-N 3.5Å; S326-L328 VanDerWaalsContact C-N 3.29Å; S326-L328 PolarHBondContact O-N 3.37Å; L328-R331 WeakPolarHBondContact O-CB 3.49Å; L328-R331 PolarHBondContact O-N 2.96Å; L328-Q332 WeakPolarHBondContact O-CB 3.25Å; L328-Q332 PolarHBondContact O-N 3.3Å
329N98.7Very high93.1Very high21 Ų2144.5 Ų44.511%0.11223%0.233CC..Hα-helixtrans-61.5-46.2172.3-179.956.9000111V290 E294 D325 S326 R331 Q332 Q333V290-N329 HydrophobicContact CG1-CB 3.55Å; V290-N329 WeakPolarHBondContact CG1-ND2 3.21Å; E294-N329 PolarHBondContact OE2-ND2 3.2Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 2.98Å; S326-N329 WeakPolarHBondContact O-CB 3.36Å; S326-N329 PolarHBondContact O-N 3.2Å; S326-N329 VanDerWaalsContact O-N 3.13Å; N329-R331 PolarHBondContact O-N 3.33Å; N329-Q332 WeakPolarHBondContact O-CB 3.41Å; N329-Q332 PolarHBondContact O-N 3.49Å; N329-Q333 VanDerWaalsContact O-CG 3.31Å; N329-Q333 WeakPolarHBondContact O-CG 3.11Å; N329-Q333 PolarHBondContact O-N 2.99Å; N329-Q333 PolarHBondContact OD1-NE2 2.95Å
330L98.6Very high90.4Very high0 Ų047.8 Ų47.80%026%0.26CS..Hα-helixtrans-55.5-40.5176.5-66.3178.7000111.6E294 F297 S326 I327 G334 L335 I336E294-L330 HydrophobicContact CB-CD2 4.46Å; F297-L330 HydrophobicContact CB-CD2 3.67Å; F297-L330 HydrophobicContact CD1-CD1 4.14Å; F297-L330 HydrophobicContact CD1-CD2 4.42Å; F297-L330 HydrophobicContact CD2-CD1 3.6Å; F297-L330 HydrophobicContact CD2-CD2 3.91Å; F297-L330 HydrophobicContact CD2-CG 4.43Å; F297-L330 HydrophobicContact CE1-CD1 4.1Å; F297-L330 HydrophobicContact CE2-CD1 3.56Å; F297-L330 HydrophobicContact CG-CD1 3.9Å; F297-L330 HydrophobicContact CG-CD2 3.75Å; F297-L330 HydrophobicContact CG-CG 4.44Å; F297-L330 HydrophobicContact CZ-CD1 3.81Å; S326-L330 WeakPolarHBondContact O-CG 3.48Å; S326-L330 PolarHBondContact O-N 2.9Å; I327-L330 PolarHBondContact O-N 2.99Å; L330-G334 PolarHBondContact O-N 3.37Å; L330-L335 HydrophobicContact CB-CB 4.5Å; L330-L335 HydrophobicContact CD2-CB 4.35Å; L330-L335 HydrophobicContact CD2-CD1 3.78Å; L330-L335 WeakPolarHBondContact O-CA 3.31Å; L330-L335 WeakPolarHBondContact O-CB 3.31Å; L330-L335 PolarHBondContact O-N 3.39Å; L330-I336 HydrophobicContact CB-CD1 3.82Å; L330-I336 HydrophobicContact CB-CG1 3.76Å; L330-I336 HydrophobicContact CB-CG2 4.2Å; L330-I336 HydrophobicContact CD1-CG2 4.48Å; L330-I336 PolarHBondContact O-N 2.92Å
331R97.3Very high87.6Confident114 Ų11454.9 Ų54.943%0.4330%0.295SS..Hα-helixtrans-65.4-46.7174.1-178.1-156-178.7-177.9-3.3111.2F65 I327 L328 N329 Q333 G334 I336F65-R331 HydrophobicContact CD2-CG 4.16Å; F65-R331 HydrophobicContact CE2-CB 4.19Å; F65-R331 VanDerWaalsContact CE2-CD 3.46Å; F65-R331 HydrophobicContact CE2-CG 3.72Å; F65-R331 HydrophobicContact CZ-CB 4.18Å; F65-R331 HydrophobicContact CZ-CG 4.2Å; I327-R331 PolarHBondContact O-N 3.37Å; I327-R331 VanDerWaalsContact O-N 3.11Å; L328-R331 WeakPolarHBondContact O-CB 3.49Å; L328-R331 PolarHBondContact O-N 2.96Å; N329-R331 PolarHBondContact O-N 3.33Å; R331-Q333 VanDerWaalsContact C-N 3.31Å; R331-Q333 PolarHBondContact O-N 3.18Å; R331-G334 WeakPolarHBondContact O-CA 3.34Å; R331-G334 PolarHBondContact O-N 3.16Å; R331-I336 HydrophobicContact CB-CD1 4.44Å; R331-I336 HydrophobicContact CB-CG1 4.04Å
332Q97.4Very high84.6Confident158 Ų15858.6 Ų58.674%0.73832%0.315SS*.Hα-helixtrans-61.9-37.9-179.3-173.5179.9800112.4L328 N329 G334L328-Q332 WeakPolarHBondContact O-CB 3.25Å; L328-Q332 PolarHBondContact O-N 3.3Å; N329-Q332 WeakPolarHBondContact O-CB 3.41Å; N329-Q332 PolarHBondContact O-N 3.49Å; Q332-G334 PolarHBondContact O-N 3.03Å
333Q97.6Very high81.6Confident88 Ų8869.3 Ų69.341%0.41136%0.355SS..THydrogen-bonded Turntrans-75.30.5173.4-58.8-55.1-40.500112.8E294 N329 R331 L335E294-Q333 HydrophobicContact CG-CG 4.18Å; N329-Q333 VanDerWaalsContact O-CG 3.31Å; N329-Q333 WeakPolarHBondContact O-CG 3.11Å; N329-Q333 PolarHBondContact O-N 2.99Å; N329-Q333 PolarHBondContact OD1-NE2 2.95Å; R331-Q333 VanDerWaalsContact C-N 3.31Å; R331-Q333 PolarHBondContact O-N 3.18Å; Q333-L335 HydrophobicContact CB-CD1 4.01Å; Q333-L335 HydrophobicContact CB-CG 3.88Å; Q333-L335 PolarHBondContact O-N 3.34Å
334G96.6Very high78.7Confident38 Ų3875.8 Ų75.839%0.39239%0.386SS..THydrogen-bonded Turntrans64.615.4-176.200000113.6K301 L330 R331 Q332 I336K301-G334 PolarHBondContact NZ-O 3.23Å; L330-G334 PolarHBondContact O-N 3.37Å; R331-G334 WeakPolarHBondContact O-CA 3.34Å; R331-G334 PolarHBondContact O-N 3.16Å; Q332-G334 PolarHBondContact O-N 3.03Å; G334-I336 VanDerWaalsContact C-N 3.34Å
335L97.3Very high75.6Confident22 Ų2277.9 Ų77.912%0.11541%0.408CS..SBendtrans-72.8-30.8-179.7-64.2174.6000111.7E294 F297 R298 K301 L330 Q333E294-L335 HydrophobicContact CB-CD1 4.5Å; E294-L335 HydrophobicContact CG-CD1 3.72Å; F297-L335 HydrophobicContact CB-CB 4.23Å; F297-L335 HydrophobicContact CB-CD1 3.93Å; R298-L335 HydrophobicContact CB-CD1 4.42Å; R298-L335 HydrophobicContact CB-CD2 4.27Å; K301-L335 HydrophobicContact CB-CD2 4.4Å; K301-L335 HydrophobicContact CD-CD2 3.76Å; L330-L335 HydrophobicContact CB-CB 4.5Å; L330-L335 HydrophobicContact CD2-CB 4.35Å; L330-L335 HydrophobicContact CD2-CD1 3.78Å; L330-L335 WeakPolarHBondContact O-CA 3.31Å; L330-L335 WeakPolarHBondContact O-CB 3.31Å; L330-L335 PolarHBondContact O-N 3.39Å; Q333-L335 HydrophobicContact CB-CD1 4.01Å; Q333-L335 HydrophobicContact CB-CG 3.88Å; Q333-L335 PolarHBondContact O-N 3.34Å
336I96.1Very high72.6Confident8 Ų881.6 Ų81.64%0.04143%0.427CS..SBendtrans-125.7170.4171.367.7172.5000110.9F65 W144 I146 F297 I327 L330 R331 G334F65-I336 HydrophobicContact CE1-CD1 4.12Å; F65-I336 HydrophobicContact CZ-CD1 3.95Å; F65-I336 HydrophobicContact CZ-CG1 4.44Å; W144-I336 HydrophobicContact CD2-CB 3.76Å; W144-I336 HydrophobicContact CD2-CG2 3.61Å; W144-I336 HydrophobicContact CE3-CB 3.97Å; W144-I336 HydrophobicContact CE3-CG2 3.68Å; W144-I336 HydrophobicContact CG-CB 4.39Å; W144-I336 HydrophobicContact CG-CG2 3.98Å; W144-I336 HydrophobicContact CH2-CB 3.97Å; W144-I336 HydrophobicContact CH2-CD1 4.12Å; W144-I336 HydrophobicContact CH2-CG1 4.45Å; W144-I336 HydrophobicContact CZ2-CB 3.76Å; W144-I336 HydrophobicContact CZ3-CB 4.07Å; W144-I336 HydrophobicContact CZ3-CD1 4.08Å; W144-I336 HydrophobicContact CZ3-CG2 4.17Å; I146-I336 HydrophobicContact CD1-CD1 4.37Å; F297-I336 HydrophobicContact CD1-CG2 3.73Å; F297-I336 HydrophobicContact CE1-CG2 3.47Å; F297-I336 VanDerWaalsContact CE1-CG2 3.47Å; F297-I336 HydrophobicContact CZ-CG2 4.43Å; I327-I336 HydrophobicContact CG2-CD1 3.98Å; I327-I336 WeakPolarHBondContact O-CD1 3.44Å; L330-I336 HydrophobicContact CB-CD1 3.82Å; L330-I336 HydrophobicContact CB-CG1 3.76Å; L330-I336 HydrophobicContact CB-CG2 4.2Å; L330-I336 HydrophobicContact CD1-CG2 4.48Å; L330-I336 PolarHBondContact O-N 2.92Å; R331-I336 HydrophobicContact CB-CD1 4.44Å; R331-I336 HydrophobicContact CB-CG1 4.04Å; G334-I336 VanDerWaalsContact C-N 3.34Å
337G85.4Confident69.6Low24 Ų2485.5 Ų85.525%0.24745%0.454CS..SBendtrans110.4171.4-176.500000112.3W144 K339W144-G337 VanDerWaalsContact CZ2-N 3.34Å; G337-K339 PolarHBondContact O-N 2.91Å
338A63.7Low66.7Low90 Ų9092.9 Ų92.974%0.74449%0.488SS*.  trans-62.9130.417600000108.7A340A338-A340 PolarHBondContact O-N 2.78Å
339K52.1Low63.8Low195 Ų19597.1 Ų97.185%0.84851%0.511SS*.  trans-55115150.5-75.4178.1-179.7170.90104.3G337 M341G337-K339 PolarHBondContact O-N 2.91Å; K339-M341 PolarHBondContact O-N 3.38Å
340A36.4Very low61.1Low68 Ų68100.7 Ų100.756%0.56253%0.533SS*.  trans-45.8132.8156.600000105.5A338 E342A338-A340 PolarHBondContact O-N 2.78Å; A340-E342 HydrophobicContact CB-CG 4.12Å; A340-E342 PolarHBondContact O-N 2.92Å
341M36.1Very low58.3Low150 Ų150104.3 Ų104.374%0.73956%0.555SS**SBendtrans-64.640.9176.8-70.3177.759.800111.9K339 R343 E344K339-M341 PolarHBondContact O-N 3.38Å; M341-R343 PolarHBondContact O-N 2.78Å; M341-E344 WeakPolarHBondContact CE-OE2 3.34Å
342E34.7Very low55.4Low160 Ų160106 Ų10675%0.74857%0.568SS**THydrogen-bonded Turntrans-80.554.4172.2-70.2-172.2161.700110.5A340A340-E342 HydrophobicContact CB-CG 4.12Å; A340-E342 PolarHBondContact O-N 2.92Å
343R35.3Very low52.6Low232 Ų232104.6 Ų104.688%0.87556%0.564SS**THydrogen-bonded Turntrans-140.8-3.6156.3-75.7-159.7178.6-166.9-1.7114.7M341M341-R343 PolarHBondContact O-N 2.78Å
344E35.8Very low49.9Very low139 Ų139105.2 Ų105.265%0.6558%0.575SS**THydrogen-bonded Turntrans-96.6-15.8171.2-73-175.5159.700113.5M341M341-E344 WeakPolarHBondContact CE-OE2 3.34Å
345G34.3Very low47.4Very low45 Ų45110.8 Ų110.846%0.46459%0.59SS.*Hα-helixtrans-83.5-26.2178.900000116.2
346L34.5Very low44.7Very low133 Ų133114.4 Ų114.470%0.69662%0.618SS**Hα-helixtrans-87.4-20.4-179.1-96.698.6000113.9V350L346-V350 WeakPolarHBondContact O-CG2 3.36Å
347S37.3Very low42.3Very low82 Ų82119.1 Ų119.157%0.57365%0.651SS**Hα-helixtrans-76.2-28.3174.7-169.40000112.2T351S347-T351 PolarHBondContact O-OG1 3.4Å
348Q37Very low40.3Very low154 Ų154121.5 Ų121.572%0.7268%0.676SS**Hα-helixtrans-80.5-31.4178.9-68.4-168.7-6.300112.4H352Q348-H352 PolarHBondContact O-N 3.41Å
349L38.2Very low39Very low119 Ų119123.3 Ų123.362%0.62368%0.683SS**Hα-helixtrans-72.7-34.5177.2-113.794.6000113.7T351 H352 L353L349-T351 VanDerWaalsContact C-N 3.31Å; L349-H352 PolarHBondContact O-N 2.74Å; L349-L353 PolarHBondContact O-N 2.86Å
350V40.5Very low38.5Very low96 Ų96119 Ų11958%0.58268%0.684SS**Hα-helixtrans-73.6-26.6178.4178.20000111.7L346 T354L346-V350 WeakPolarHBondContact O-CG2 3.36Å; V350-T354 PolarHBondContact O-OG1 2.91Å
351T39.9Very low38.4Very low75 Ų75119.6 Ų119.646%0.4670%0.697SS.*Hα-helixtrans-77.7-26.2176.9-43.40000112.5S347 L349 T354S347-T351 PolarHBondContact O-OG1 3.4Å; L349-T351 VanDerWaalsContact C-N 3.31Å; T351-T354 PolarHBondContact O-OG1 2.58Å
352H36.7Very low38.4Very low151 Ų151117.7 Ų117.770%0.69970%0.698SS**Hα-helixtrans-87-22.4179.2-114.824000114.7Q348 L349Q348-H352 PolarHBondContact O-N 3.41Å; L349-H352 PolarHBondContact O-N 2.74Å
353L39.1Very low38.5Very low127 Ų127115 Ų11567%0.66570%0.703SS**Hα-helixtrans-84.9-10.2177.3-73.8166.4000113.8L349L349-L353 PolarHBondContact O-N 2.86Å
354T41.5Very low38.8Very low102 Ų102112.2 Ų112.263%0.62670%0.7SS**SBendtrans-99.3-5.4178.540.90000114.1V350 T351V350-T354 PolarHBondContact O-OG1 2.91Å; T351-T354 PolarHBondContact O-OG1 2.58Å
355Q42.7Very low39Very low154 Ų154112 Ų11272%0.7271%0.708SS**SBendtrans-105.5-4.2179.8-71.7-173-7.500115.2
356S41.5Very low39.3Very low99 Ų99114.4 Ų114.469%0.69272%0.723SS**SBendtrans-104.76.7-176.563.30000115.6
357S44.6Very low39.7Very low107 Ų107118.3 Ų118.375%0.74875%0.752SS**SBendtrans-115.569.117551.80000111.5
358G43.4Very low39.8Very low74 Ų74120.1 Ų120.176%0.76376%0.761SS**  trans-17252.2-179.200000116.5
359S37.6Very low40Very low127 Ų127118.3 Ų118.389%0.88876%0.763SS**  trans-158.893.4150.972.70000111.6
360A40.6Very low40.1Very low106 Ų106118.3 Ų118.388%0.87677%0.771SS**  trans-128.3119.8161.300000108.7
361G35.7Very low40Very low80 Ų80119.6 Ų119.683%0.82578%0.782SS**  trans97.5106.3155.400000116.6
362S35.3Very low40Very low109 Ų109122.4 Ų122.476%0.76280%0.802SS**  175.7103.5123.1-178.70000109.4
363A37.6Very low40.3Very low103 Ų103120.5 Ų120.585%0.85181%0.809SS**  trans-107.3109.9160.600000106.7
364H40.4Very low40.4Very low175 Ų175120 Ų12081%0.8182%0.819SS**  trans-122.1137.7166.2-96.2-61.6000110.1
365T41.5Very low40.3Very low135 Ų135121.4 Ų121.483%0.82883%0.834SS**  trans-76.5170.7-173.2-8.50000114
366A40.3Very low40.1Very low94 Ų94118.7 Ų118.778%0.77784%0.844SS**  trans92.2133.1166.100000114.8
367V42.3Very low39.9Very low215 Ų215120.5 Ų120.5100%1.30386%0.857SS**  cis-139.7013.8168.40000108.7

Retrieved 367 of 367 residues in 207.4 ms (Link to these results)

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