A0A087XI39_POEFO Loading...

Vacuolar protein sorting-associated protein 72 homolog

Deposition-and-exchange histone chaperone specific for H2AZ1, specifically chaperones H2AZ1 and deposits it into nucleosomes. As component of the SRCAP complex, mediates the ATP-dependent exchange of histone H2AZ1/H2B dimers for nucleosomal H2A/H2B, leading to transcriptional regulation of selected genes by chromatin remodeling.

AlphaFold DB , UniProt , Accession A0A087XI39, 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
1M55.3Low78.7Confident240 Ų240148 Ų148100%1.18278%0.78SS**  01270-70.1-176.7176.600108.2
2S68.7Low79.8Confident78 Ų78144 Ų14455%0.54577%0.766SS.*  trans-70.1131-175.4500000111.7A4 V5S2-A4 PolarHBondContact O-N 2.7Å; S2-V5 PolarHBondContact O-N 3.5Å; S2-V5 WeakPolarHBondContact OG-CG2 3.35Å
3L68.4Low80.7Confident170 Ų170137.6 Ų137.689%0.8975%0.746SS**THydrogen-bonded Turntrans-53.4-20.5178.4-65.3170.4000113.9V5L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 2.99Å
4A70.7Confident81.6Confident64 Ų64130.9 Ų130.953%0.52973%0.725SS.*THydrogen-bonded Turntrans-68.1-25.4176.800000114.4S2S2-A4 PolarHBondContact O-N 2.7Å
5V77.1Confident82.4Confident122 Ų122131.2 Ų131.274%0.73973%0.725SS**THydrogen-bonded Turntrans-89.5-23.1-173.4177.60000112S2 L3S2-V5 PolarHBondContact O-N 3.5Å; S2-V5 WeakPolarHBondContact OG-CG2 3.35Å; L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 2.99Å
6G83.6Confident83.1Confident76 Ų76135.1 Ų135.178%0.78473%0.725SS**SBendtrans-89.60.7-178.100000115.6
7R85.6Confident83.6Confident193 Ų193133.3 Ų133.373%0.72871%0.713SS**SBendtrans-87.9141.4-177.872.1-175.3179.5176.9-0111.7
8E86.5Confident84Confident177 Ų177130 Ų13083%0.82770%0.702SS**PPolyproline II helixtrans-63.4131.2173.9-165.6-177.7170.900110.6
9P87.2Confident84.5Confident114 Ų114131.5 Ų131.574%0.7470%0.701SS**PPolyproline II helixtrans-71.6135.9-17927.9-33.7000111.6
10R90.3Very high84.8Confident178 Ų178130.4 Ų130.467%0.67270%0.695SS**PPolyproline II helixtrans-84132.7175.7-47-171-37.4173.710.3110.7T12 A13R10-T12 PolarHBondContact O-N 3.03Å; R10-A13 HydrophobicContact CB-CB 4.13Å; R10-A13 PolarHBondContact O-N 3.3Å
11K92Very high85.1Confident216 Ų216128.8 Ų128.894%0.93969%0.686SS**THydrogen-bonded Turntrans-61.3-24.3177.7-63.9-175.6-179.8-177.40114.9
12T92Very high86.7Confident100 Ų100122.3 Ų122.361%0.61366%0.656SS**THydrogen-bonded Turntrans-109.48.6-176.855.50000113.2R10 G14R10-T12 PolarHBondContact O-N 3.03Å; T12-G14 PolarHBondContact O-N 3.47Å
13A91.2Very high87.5Confident61 Ų61122.3 Ų122.350%0.50466%0.66SS.*THydrogen-bonded Turntrans-66.4128.317400000109.8R10R10-A13 HydrophobicContact CB-CB 4.13Å; R10-A13 PolarHBondContact O-N 3.3Å
14G93.4Very high88.2Confident44 Ų44121.6 Ų121.645%0.45465%0.653SS.*THydrogen-bonded Turntrans80.89.8173.200000116.6T12 R16 M17T12-G14 PolarHBondContact O-N 3.47Å; G14-R16 PolarHBondContact O-N 3.27Å; G14-M17 WeakPolarHBondContact O-CB 3.38Å; G14-M17 PolarHBondContact O-N 3.46Å
15N94Very high88.7Confident135 Ų135125.7 Ų125.772%0.72266%0.661SS**THydrogen-bonded Turntrans-57.1-20.6-171.8-167.535000115.7
16R93.1Very high88.6Confident194 Ų194127 Ų12773%0.73266%0.659SS**THydrogen-bonded Turntrans-119.85176.5-63.1-177.6-178.7170.6-1.1113.1G14 K19 L20G14-R16 PolarHBondContact O-N 3.27Å; R16-K19 PolarHBondContact O-N 3.44Å; R16-L20 WeakPolarHBondContact O-CG 3.27Å; R16-L20 PolarHBondContact O-N 3.47Å
17M92.8Very high88.6Confident104 Ų104127.8 Ų127.851%0.51265%0.645SS.*Hα-helixtrans-70.6-36.4-174.5-72-60.9-54.900111.9G14 L20 L21G14-M17 WeakPolarHBondContact O-CB 3.38Å; G14-M17 PolarHBondContact O-N 3.46Å; M17-L20 PolarHBondContact O-N 2.94Å; M17-L20 HydrophobicContact SD-CD1 4.3Å; M17-L21 WeakPolarHBondContact O-CG 3.32Å; M17-L21 PolarHBondContact O-N 2.88Å
18S91Very high88.7Confident74 Ų74125.8 Ų125.852%0.51764%0.644SS.*Hα-helixtrans-58.6-53.4172.255.40000110.5L20 L21 D22S18-L20 PolarHBondContact O-N 3.45Å; S18-L20 VanDerWaalsContact O-N 3.13Å; S18-L21 PolarHBondContact O-N 3.24Å; S18-D22 PolarHBondContact O-N 2.86Å
19K91.8Very high88.9Confident159 Ų159123 Ų12369%0.69163%0.63SS**Hα-helixtrans-57.6-33178.8-172.7172.6-176.8175.30113.5R16 A23R16-K19 PolarHBondContact O-N 3.44Å; K19-A23 VanDerWaalsContact O-CB 3.24Å; K19-A23 WeakPolarHBondContact O-CB 3.46Å; K19-A23 PolarHBondContact O-N 3.1Å; K19-A23 VanDerWaalsContact O-N 3.12Å
20L91.4Very high89Confident109 Ų109123.6 Ų123.657%0.57162%0.618SS**Hα-helixtrans-74.3-37.6177.2-74.4174.8000112.5R16 M17 S18 A23 E24R16-L20 WeakPolarHBondContact O-CG 3.27Å; R16-L20 PolarHBondContact O-N 3.47Å; M17-L20 PolarHBondContact O-N 2.94Å; M17-L20 HydrophobicContact SD-CD1 4.3Å; S18-L20 PolarHBondContact O-N 3.45Å; S18-L20 VanDerWaalsContact O-N 3.13Å; L20-A23 PolarHBondContact O-N 3.17Å; L20-E24 PolarHBondContact O-N 2.86Å
21L91.4Very high88.9Confident96 Ų96119.6 Ų119.650%0.50361%0.605SS.*Hα-helixtrans-68.4-44.6174.4-67.8170.9000110.6M17 S18 A23 E24 E25M17-L21 WeakPolarHBondContact O-CG 3.32Å; M17-L21 PolarHBondContact O-N 2.88Å; S18-L21 PolarHBondContact O-N 3.24Å; L21-A23 PolarHBondContact O-N 3.41Å; L21-E24 WeakPolarHBondContact O-CB 3.35Å; L21-E24 PolarHBondContact O-N 2.84Å; L21-E25 PolarHBondContact O-N 3.27Å
22D88Confident88.8Confident104 Ų104114.3 Ų114.356%0.55659%0.591SS**Hα-helixtrans-62.2-30.2176.9-56.4-23.5000111.7S18S18-D22 PolarHBondContact O-N 2.86Å
23A86.9Confident88.8Confident78 Ų78111.2 Ų111.265%0.64557%0.572SS**THydrogen-bonded Turntrans-82.1-14.9176.500000114K19 L20 L21K19-A23 VanDerWaalsContact O-CB 3.24Å; K19-A23 WeakPolarHBondContact O-CB 3.46Å; K19-A23 PolarHBondContact O-N 3.1Å; K19-A23 VanDerWaalsContact O-N 3.12Å; L20-A23 PolarHBondContact O-N 3.17Å; L21-A23 PolarHBondContact O-N 3.41Å
24E82.1Confident88.7Confident155 Ų155118.2 Ų118.272%0.72459%0.587SS**THydrogen-bonded Turntrans-78.1-28.7174.1-170.6174-173.400111L20 L21L20-E24 PolarHBondContact O-N 2.86Å; L21-E24 WeakPolarHBondContact O-CB 3.35Å; L21-E24 PolarHBondContact O-N 2.84Å
25E82.4Confident88.4Confident150 Ų150119 Ų11970%0.70160%0.595SS**SBendtrans-80118.3170.2-62.6-179.5-175.100109.2L21 D27L21-E25 PolarHBondContact O-N 3.27Å; E25-D27 PolarHBondContact O-N 3.06Å; E25-D27 VanDerWaalsContact O-N 3.1Å
26E73.6Confident88.2Confident150 Ų150113.2 Ų113.270%0.70157%0.567SS**  trans-67.8112.2175.9-69.9-169.2-162.400110.4E28 K31E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 3.15Å; E26-K31 IonicContact OE2-NZ 2.72Å; E26-K31 PolarHBondContact OE2-NZ 3.14Å
27D84Confident88.1Confident92 Ų92111 Ų11149%0.49256%0.563SS.*  trans-76.580.5-174.5-135.8-17.2000111.5E25 F29 Y30 K31E25-D27 PolarHBondContact O-N 3.06Å; E25-D27 VanDerWaalsContact O-N 3.1Å; D27-F29 PolarHBondContact O-N 3.34Å; D27-F29 VanDerWaalsContact O-N 3.14Å; D27-Y30 HydrophobicContact CB-CD2 4.25Å; D27-Y30 PolarHBondContact O-N 3.09Å; D27-Y30 VanDerWaalsContact OD2-CD2 3.3Å; D27-Y30 WeakPolarHBondContact OD2-CD2 3.47Å; D27-K31 PolarHBondContact O-N 3.39Å
28E87.4Confident87.9Confident152 Ų152111.1 Ų111.171%0.7157%0.566SS**Hα-helixtrans-54.8-30.5-179.5-67.6-176.917600112.8E26 K31 T32E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 3.15Å; E28-K31 PolarHBondContact O-N 3.15Å; E28-T32 WeakPolarHBondContact O-CG2 3.18Å; E28-T32 PolarHBondContact O-N 3.37Å; E28-T32 PolarHBondContact O-OG1 3.25Å
29F90.8Very high87.8Confident119 Ų119115.7 Ų115.752%0.52259%0.585SS.*Hα-helixtrans-61.9-50178.9179.3-96000112D27 K31 T32 T33D27-F29 PolarHBondContact O-N 3.34Å; D27-F29 VanDerWaalsContact O-N 3.14Å; F29-K31 VanDerWaalsContact C-N 3.29Å; F29-K31 PolarHBondContact O-N 3.16Å; F29-T32 PolarHBondContact O-N 2.91Å; F29-T33 WeakPolarHBondContact CD2-OG1 3.41Å; F29-T33 HydrophobicContact CE2-CG2 4.21Å; F29-T33 WeakPolarHBondContact CE2-OG1 3.5Å; F29-T33 HydrophobicContact CZ-CG2 4.07Å; F29-T33 VanDerWaalsContact O-CB 3.27Å; F29-T33 WeakPolarHBondContact O-CB 3.45Å; F29-T33 PolarHBondContact O-N 3.35Å; F29-T33 PolarHBondContact O-OG1 2.97Å
30Y89.4Confident87.6Confident125 Ų125114.7 Ų114.749%0.4958%0.583SS.*Hα-helixtrans-75.5-19179.9-73-80.5000113.1D27 G36 F37D27-Y30 HydrophobicContact CB-CD2 4.25Å; D27-Y30 PolarHBondContact O-N 3.09Å; D27-Y30 VanDerWaalsContact OD2-CD2 3.3Å; D27-Y30 WeakPolarHBondContact OD2-CD2 3.47Å; Y30-G36 CarbonylContact O-C 3.57Å; Y30-G36 WeakPolarHBondContact O-CA 3.35Å; Y30-F37 HydrophobicContact CD1-CD2 4.26Å; Y30-F37 HydrophobicContact CD1-CG 4.34Å; Y30-F37 PolarHBondContact O-N 3.49Å
31K88.6Confident87.5Confident95 Ų95115.7 Ų115.741%0.41360%0.598SS.*Hα-helixtrans-74.5-26.5172.1-69.6179.7-178.8179.40113.2E26 D27 E28 F29 G36E26-K31 IonicContact OE2-NZ 2.72Å; E26-K31 PolarHBondContact OE2-NZ 3.14Å; D27-K31 PolarHBondContact O-N 3.39Å; E28-K31 PolarHBondContact O-N 3.15Å; F29-K31 VanDerWaalsContact C-N 3.29Å; F29-K31 PolarHBondContact O-N 3.16Å; K31-G36 VanDerWaalsContact O-CA 3.3Å; K31-G36 WeakPolarHBondContact O-CA 3.44Å
32T89.1Confident87.4Confident105 Ų105114.3 Ų114.364%0.64461%0.608SS**Hα-helixtrans-116.5-30-169.256.80000114.5E28 F29E28-T32 WeakPolarHBondContact O-CG2 3.18Å; E28-T32 PolarHBondContact O-N 3.37Å; E28-T32 PolarHBondContact O-OG1 3.25Å; F29-T32 PolarHBondContact O-N 2.91Å
33T91.8Very high87.6Confident34 Ų34115.8 Ų115.821%0.20962%0.615CS.*G310 helixtrans-75.3136.3-175-45.90000110.7F29 G35 G36F29-T33 WeakPolarHBondContact CD2-OG1 3.41Å; F29-T33 HydrophobicContact CE2-CG2 4.21Å; F29-T33 WeakPolarHBondContact CE2-OG1 3.5Å; F29-T33 HydrophobicContact CZ-CG2 4.07Å; F29-T33 VanDerWaalsContact O-CB 3.27Å; F29-T33 WeakPolarHBondContact O-CB 3.45Å; F29-T33 PolarHBondContact O-N 3.35Å; F29-T33 PolarHBondContact O-OG1 2.97Å; T33-G35 PolarHBondContact O-N 2.89Å; T33-G36 PolarHBondContact O-N 3.42Å
34Y89.9Confident87.8Confident209 Ų209118.4 Ų118.482%0.8262%0.619SS**G310 helixtrans58.723.4179.7-51.1-67.4000115.8F37Y34-F37 HydrophobicContact CD2-CE2 4.38Å
35G86.9Confident88.3Confident60 Ų60119 Ų11962%0.61962%0.622SS**G310 helixtrans97.6-6.8-176.200000113.8T33T33-G35 PolarHBondContact O-N 2.89Å
36G89.6Confident88.8Confident14 Ų14121.1 Ų121.114%0.14462%0.624CS.*  trans90.9135.618000000112.1Y30 K31 T33 N38Y30-G36 CarbonylContact O-C 3.57Å; Y30-G36 WeakPolarHBondContact O-CA 3.35Å; K31-G36 VanDerWaalsContact O-CA 3.3Å; K31-G36 WeakPolarHBondContact O-CA 3.44Å; T33-G36 PolarHBondContact O-N 3.42Å; G36-N38 PolarHBondContact O-N 2.93Å; G36-N38 VanDerWaalsContact O-N 3.11Å
37F91.3Very high89.5Confident146 Ų146121.8 Ų121.864%0.6463%0.627SS**SBendtrans-85.440.2179.8-88.7-106.9000112Y30 Y34Y30-F37 HydrophobicContact CD1-CD2 4.26Å; Y30-F37 HydrophobicContact CD1-CG 4.34Å; Y30-F37 PolarHBondContact O-N 3.49Å; Y34-F37 HydrophobicContact CD2-CE2 4.38Å
38N88.9Confident89.5Confident107 Ų107118.7 Ų118.757%0.57262%0.618SS**SBendtrans-97.3145.6174.9-59.7-58.7000109.2G36 E40G36-N38 PolarHBondContact O-N 2.93Å; G36-N38 VanDerWaalsContact O-N 3.11Å; N38-E40 PolarHBondContact O-N 3.4Å; N38-E40 VanDerWaalsContact O-N 3.11Å
39D88.4Confident89.2Confident171 Ų171118.6 Ų118.691%0.91462%0.617SS**  trans-66.1111.8175.4-61.5-32.8000109.5
40E87.8Confident88.3Confident138 Ų138120 Ų12065%0.64563%0.625SS**  trans-86140177.4-64.1-168162.400110.8N38 G42 D43N38-E40 PolarHBondContact O-N 3.4Å; N38-E40 VanDerWaalsContact O-N 3.11Å; E40-G42 PolarHBondContact O-N 2.69Å; E40-G42 VanDerWaalsContact O-N 3.17Å; E40-D43 PolarHBondContact O-N 2.86Å
41S89.2Confident87.4Confident129 Ų129117.8 Ų117.890%0.90263%0.627SS**THydrogen-bonded Turntrans-70.8113.2177.360.30000109.8
42G89.5Confident86.2Confident68 Ų68120 Ų12070%0.70164%0.644SS**THydrogen-bonded Turntrans99.516.8-177.100000114.5E40 D44E40-G42 PolarHBondContact O-N 2.69Å; E40-G42 VanDerWaalsContact O-N 3.17Å; G42-D44 PolarHBondContact O-N 2.97Å; G42-D44 VanDerWaalsContact O-N 3.11Å
43D92.1Very high84.8Confident134 Ų134120 Ų12072%0.71764%0.644SS**  trans-7587.4166.2-171.327.1000109.9E40E40-D43 PolarHBondContact O-N 2.86Å
44D91.4Very high84.1Confident133 Ų133126.2 Ų126.271%0.71167%0.67SS**  trans-74.9156.3176.8-70.2-35.9000111.3G42 Y46G42-D44 PolarHBondContact O-N 2.97Å; G42-D44 VanDerWaalsContact O-N 3.11Å; D44-Y46 PolarHBondContact O-N 2.67Å
45E92.7Very high83.7Confident169 Ų169123.3 Ų123.379%0.7967%0.669SS**  trans-54135.7177.7-175.987.8-130.200111.4H47E45-H47 PolarHBondContact O-CD2 2.9Å; E45-H47 PolarHBondContact O-N 3.37Å
46Y91.5Very high83.6Confident193 Ų193128.9 Ų128.976%0.75768%0.679SS**  trans-56.6115.8-178.7176.9-101.9000112.1D44D44-Y46 PolarHBondContact O-N 2.67Å
47H88.2Confident83.4Confident164 Ų164131.8 Ų131.876%0.75969%0.694SS**  trans-95.8101169-67.6-56.9000109.2E45 E49E45-H47 PolarHBondContact O-CD2 2.9Å; E45-H47 PolarHBondContact O-N 3.37Å; H47-E49 PolarHBondContact O-N 3.44Å
48G85.1Confident83.2Confident28 Ų28130.8 Ų130.829%0.28970%0.695SS.*  trans-61.3126.9177.500000111.8H50G48-H50 PolarHBondContact O-CE1 3.24Å; G48-H50 PolarHBondContact O-N 3.46Å; G48-H50 PolarHBondContact O-ND1 3.02Å
49E81.4Confident83Confident150 Ų150131.6 Ų131.670%0.70171%0.709SS**  trans-74.1107.3170.4-152.6177.2-178.400107.9H47 S51H47-E49 PolarHBondContact O-N 3.44Å; E49-S51 WeakPolarHBondContact CG-OG 3.33Å; E49-S51 PolarHBondContact O-N 2.96Å
50H71.6Confident82.8Confident149 Ų149128.1 Ų128.169%0.6969%0.691SS**G310 helixtrans-78.7-1.4-175.7-71.957.7000112.6G48 D52 T53G48-H50 PolarHBondContact O-CE1 3.24Å; G48-H50 PolarHBondContact O-N 3.46Å; G48-H50 PolarHBondContact O-ND1 3.02Å; H50-D52 VanDerWaalsContact C-N 3.34Å; H50-D52 PolarHBondContact O-N 3.12Å; H50-T53 PolarHBondContact O-OG1 3.07Å
51S70.7Confident82.7Confident77 Ų77128.7 Ų128.754%0.53869%0.691SS.*G310 helixtrans-71-25.5-176.755.70000114E49E49-S51 WeakPolarHBondContact CG-OG 3.33Å; E49-S51 PolarHBondContact O-N 2.96Å
52D62.7Low82.6Confident143 Ų143130 Ų13077%0.76569%0.688SS**G310 helixtrans-98.421.2-178.3-76.8-1.1000112.5H50H50-D52 VanDerWaalsContact C-N 3.34Å; H50-D52 PolarHBondContact O-N 3.12Å
53T60.3Low82.3Confident104 Ų104130.9 Ų130.964%0.63868%0.676SS**  trans-89.8-4.5-177.858.40000114.2H50 D55H50-T53 PolarHBondContact O-OG1 3.07Å; T53-D55 PolarHBondContact O-N 3.17Å
54E76.2Confident81.6Confident164 Ų164130.3 Ų130.377%0.76667%0.673SS**SBendtrans-82.6100.3169.3-65-172.1178.100108E56E54-E56 VanDerWaalsContact C-N 3.3Å; E54-E56 PolarHBondContact O-N 2.66Å
55D82.4Confident80.8Confident148 Ų148133.4 Ų133.479%0.79168%0.683SS**  trans-64.188.7175.2-170.125.4000109.1T53 V57T53-D55 PolarHBondContact O-N 3.17Å; D55-V57 PolarHBondContact O-N 2.8Å
56E83.7Confident79.7Confident178 Ų178128.6 Ų128.683%0.83268%0.678SS**  trans-73.4109.5174.1-70.1-173.9178.600108.9E54E54-E56 VanDerWaalsContact C-N 3.3Å; E54-E56 PolarHBondContact O-N 2.66Å
57V86.6Confident78.4Confident74 Ų74126.8 Ų126.845%0.44868%0.677SS.*  trans-93.1129.6177.6178.10000109D55 F61D55-V57 PolarHBondContact O-N 2.8Å; V57-F61 HydrophobicContact CG1-CB 3.06Å; V57-F61 HydrophobicContact CG1-CD1 3.53Å; V57-F61 HydrophobicContact CG1-CD2 3.65Å; V57-F61 HydrophobicContact CG1-CE1 4.3Å; V57-F61 HydrophobicContact CG1-CE2 4.4Å; V57-F61 HydrophobicContact CG1-CG 3.13Å
58D87.1Confident77.2Confident125 Ų125127.3 Ų127.367%0.66868%0.68SS**  trans-60.1149.3176.6-74.4-35.6000111.1D60 F61D58-D60 WeakPolarHBondContact CB-OD1 3.35Å; D58-D60 PolarHBondContact O-N 3.5Å; D58-F61 WeakPolarHBondContact O-CB 3.47Å; D58-F61 PolarHBondContact O-N 3.14Å
59S83.5Confident76Confident124 Ų124130.8 Ų130.887%0.86770%0.697SS**THydrogen-bonded Turntrans-63-13.2-175.756.10000114.6
60D84.3Confident74.7Confident99 Ų99131.3 Ų131.353%0.52971%0.705SS.*THydrogen-bonded Turntrans-91.3-5.1177.966.5-21.7000113.9D58 D62 I63D58-D60 WeakPolarHBondContact CB-OD1 3.35Å; D58-D60 PolarHBondContact O-N 3.5Å; D60-D62 VanDerWaalsContact C-N 3.31Å; D60-D62 PolarHBondContact O-N 2.96Å; D60-I63 HydrophobicContact CB-CD1 3.89Å; D60-I63 WeakPolarHBondContact O-CB 3.43Å; D60-I63 PolarHBondContact O-N 2.96Å; D60-I63 VanDerWaalsContact O-N 3.15Å
61F86.7Confident73.9Confident150 Ų150129.7 Ų129.766%0.65871%0.71SS**THydrogen-bonded Turntrans-64.3-31.8-177.4-171.9-93000114.3V57 D58V57-F61 HydrophobicContact CG1-CB 3.06Å; V57-F61 HydrophobicContact CG1-CD1 3.53Å; V57-F61 HydrophobicContact CG1-CD2 3.65Å; V57-F61 HydrophobicContact CG1-CE1 4.3Å; V57-F61 HydrophobicContact CG1-CE2 4.4Å; V57-F61 HydrophobicContact CG1-CG 3.13Å; D58-F61 WeakPolarHBondContact O-CB 3.47Å; D58-F61 PolarHBondContact O-N 3.14Å
62D86.6Confident73.1Confident155 Ų155133.4 Ų133.483%0.82972%0.724SS**THydrogen-bonded Turntrans-93.23.5178.7-74.2-31.5000113D60D60-D62 VanDerWaalsContact C-N 3.31Å; D60-D62 PolarHBondContact O-N 2.96Å
63I83.1Confident72.1Confident87 Ų87135.8 Ų135.845%0.44673%0.731SS.*SBendtrans-75.4130.2175.7-60.7178.1000108.4D60 E65D60-I63 HydrophobicContact CB-CD1 3.89Å; D60-I63 WeakPolarHBondContact O-CB 3.43Å; D60-I63 PolarHBondContact O-N 2.96Å; D60-I63 VanDerWaalsContact O-N 3.15Å; I63-E65 PolarHBondContact O-N 2.75Å
64D78.2Confident71.4Confident123 Ų123140.2 Ų140.266%0.65874%0.744SS**  trans-65.1124.6174.6-171.617.6000108.8G66 E67D64-G66 PolarHBondContact O-N 3.28Å; D64-E67 PolarHBondContact O-N 3.17Å
65E74.1Confident69.6Low198 Ų198142 Ų14293%0.92575%0.752SS**THydrogen-bonded Turntrans-56.1-5.7-177.8-64.1-178.6170.800113.6I63I63-E65 PolarHBondContact O-N 2.75Å
66G69.6Low67.9Low67 Ų67142.7 Ų142.769%0.69176%0.756SS**THydrogen-bonded Turntrans-100.9-12.5176.800000116.8D64D64-G66 PolarHBondContact O-N 3.28Å
67E63.8Low66.2Low156 Ų156137.8 Ų137.873%0.72975%0.746SS**  trans-124.776.9176.1-85.3-168.8170.700110.1D64 P69D64-E67 PolarHBondContact O-N 3.17Å; E67-P69 WeakPolarHBondContact O-CD 3.39Å
68E64.1Low64.4Low174 Ų174140.6 Ų140.681%0.81377%0.766SS**  trans-78.1117.3161.9-71.2-174.2174.500109.2
69P60.3Low62.5Low102 Ų102146 Ų14666%0.66278%0.777SS**  trans-74.1126.1157.328.8-30000109.1E67 S71E67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-S71 PolarHBondContact O-N 3.12Å
70D54Low60.9Low161 Ų161151.9 Ų151.986%0.86178%0.78SS**  trans-60.4100.8175.4-141.1-3.9000109D72D70-D72 VanDerWaalsContact C-N 3.28Å; D70-D72 PolarHBondContact O-N 3.42Å; D70-D72 VanDerWaalsContact O-N 3.14Å
71S53.8Low59.3Low114 Ų114157.1 Ų157.180%0.79780%0.798SS**  trans-8860.2-17766.20000112P69P69-S71 PolarHBondContact O-N 3.12Å
72D53.2Low57.5Low156 Ų156155.6 Ų155.683%0.83481%0.806SS**  trans-106.377.5164.4-102-7.9000109.1D70D70-D72 VanDerWaalsContact C-N 3.28Å; D70-D72 PolarHBondContact O-N 3.42Å; D70-D72 VanDerWaalsContact O-N 3.14Å
73Q41.6Very low56Low193 Ų193158.6 Ų158.690%0.90281%0.806SS**  trans-145.1109.7155-155.9155.524.900111.3
74E46.7Very low54.5Low197 Ų197160.5 Ų160.592%0.92182%0.821SS**  trans-47.1137.3178.6-96173.4148.500115.2
75E38.7Very low52.9Low200 Ų200159.3 Ų159.394%0.93582%0.818SS**  trans-145.7142.4133.2-127-175.8-179.300111.7
76D46.2Very low52Low164 Ų164155.4 Ų155.488%0.87781%0.808SS**  trans-82.6117.4-159.8-161.2-21.9000112.4
77A47.6Very low51.7Low75 Ų75162.2 Ų162.262%0.6282%0.819SS**  trans-160144.1163.400000112.7R79A77-R79 PolarHBondContact O-N 2.82Å
78P49.3Very low51.5Low132 Ų132158.8 Ų158.886%0.85782%0.817SS**  trans-78.9108.4-165.530.6-33.9000113R80P78-R80 PolarHBondContact O-N 3.2Å
79R46.7Very low51.2Low238 Ų238160 Ų16090%0.89882%0.815SS**PPolyproline II helixtrans-74.4121173.3-60.2179.488.5-175.66.8111A77A77-R79 PolarHBondContact O-N 2.82Å
80R49.7Very low51.3Low249 Ų249164.6 Ų164.694%0.9483%0.825SS**PPolyproline II helixtrans-71.8127.1170.1-60.1178.494.3-176.35.8108.9P78P78-R80 PolarHBondContact O-N 3.2Å
81K52.3Low51.7Low208 Ų208164.5 Ų164.590%0.90482%0.819SS**PPolyproline II helixtrans-93120.7175.6-63.4174.6-178.9175.50109.1
82S47.6Very low51.7Low119 Ų119164.2 Ų164.283%0.83282%0.815SS**  trans-131.697.5151.467.50000108.9
83R55.4Low51.9Low217 Ų217164.2 Ų164.282%0.81981%0.813SS**  trans-97.2110.5170.1-173.6-179.1-177.2168.40.4107.3V85R83-V85 HydrophobicContact CG-CG2 3.77Å
84V51.1Low52.2Low128 Ų128164.6 Ų164.678%0.77681%0.812SS**  trans-81.3114.9159.6175.90000106.6T86V84-T86 HydrophobicContact CG1-CG2 4.22Å
85V46.1Very low52.1Low97 Ų97161.6 Ų161.659%0.58881%0.807SS**  trans-93.998.8174.1178.50000106.9R83R83-V85 HydrophobicContact CG-CG2 3.77Å
86T53.6Low52.4Low116 Ų116156.6 Ų156.671%0.71280%0.799SS**  trans-85.4123.6160.650.90000108.1V84 A88V84-T86 HydrophobicContact CG1-CG2 4.22Å; T86-A88 PolarHBondContact O-N 2.81Å
87K63.8Low52.2Low210 Ų210158.3 Ų158.391%0.91380%0.799SS**  trans-74.577.8172.5-72.7-177.71711790108.6
88A59.4Low51.8Low84 Ų84159.9 Ų159.969%0.69480%0.803SS**  trans-112.4136.3167.500000109.6T86T86-A88 PolarHBondContact O-N 2.81Å
89Y57.7Low51.3Low199 Ų199163 Ų16378%0.7880%0.803SS**  trans-46.4136.4-169.8-179-105.7000114.5E91Y89-E91 HydrophobicContact CD1-CG 4.08Å; Y89-E91 HydrophobicContact CE1-CG 3.89Å
90K63.6Low51.1Low200 Ų200157.3 Ų157.387%0.8780%0.797SS**  trans-104.7107.2-179.9-158.2156.7-172.7172.60109.2
91E61.7Low50.5Low158 Ų158155.4 Ų155.474%0.73880%0.795SS**  trans-66.2137.6179.8-69.8-170.4159.600111.7Y89 I93Y89-E91 HydrophobicContact CD1-CG 4.08Å; Y89-E91 HydrophobicContact CE1-CG 3.89Å; E91-I93 PolarHBondContact O-N 2.77Å
92P53.3Low49.8Very low108 Ų108155 Ų15570%0.70179%0.794SS**  trans-71.8114.8178.126-30.6000111.1K94P92-K94 PolarHBondContact O-N 3.19Å
93I57.8Low49.3Very low157 Ų157155.3 Ų155.381%0.80579%0.793SS**  trans-60119.6176.3-60.5168.2000109.6E91 V95E91-I93 PolarHBondContact O-N 2.77Å; I93-V95 PolarHBondContact O-N 2.67Å
94K48.5Very low48.2Very low201 Ų201152 Ų15287%0.87479%0.791SS**  trans-72.4111.2170.5-69.3175.5-177.5170.90108.9P92 A96P92-K94 PolarHBondContact O-N 3.19Å; K94-A96 PolarHBondContact O-N 2.78Å
95V43.8Very low47.7Very low134 Ų134154.7 Ų154.781%0.81280%0.796SS**  trans-73.9108.8178.7-1630000109.9I93I93-V95 PolarHBondContact O-N 2.67Å
96A46Very low47.4Very low94 Ų94157.9 Ų157.978%0.77780%0.804SS**PPolyproline II helixtrans-88.9122165.500000109.5K94K94-A96 PolarHBondContact O-N 2.78Å
97K40.3Very low46.6Very low201 Ų201159.8 Ų159.887%0.87481%0.805SS**PPolyproline II helixtrans-69.4147.7-179.1-65.1179.8178.1179.50111.8
98P39.5Very low45.2Very low108 Ų108158.4 Ų158.470%0.70180%0.799SS**PPolyproline II helixtrans-103.3158.5-175.440.9-35.2000114.9
99K38.6Very low44.3Very low198 Ų198166 Ų16686%0.86181%0.809SS**  trans87.1153.7155.8-50.3-158.6-177.2179.30117.6
100P42.3Very low43.2Very low117 Ų117162.9 Ų162.976%0.7681%0.812SS**  cis-138.8157.519.237.5-16.9000118.7
101K38.4Very low42.2Very low209 Ų209162.4 Ų162.491%0.90981%0.812SS**  trans-76.5146.8163-69.2176.9177.1175.60110.3
102K36.2Very low40.9Very low200 Ų200164.3 Ų164.387%0.8782%0.818SS**  trans-118.3154.6163.6-83.9-169.2-179.1-176.80110.3
103P37.4Very low40Very low126 Ų126165.8 Ų165.882%0.81883%0.825SS**  trans-90.7164.9-150.536-35.2000114.8
104N33.7Very low38.9Very low147 Ų147168.3 Ų168.379%0.78683%0.831SS**  trans-67.9138.6171.4-176.419.5000111.6
105E39.8Very low38.4Very low185 Ų185164.7 Ų164.786%0.86483%0.825SS**  trans-139.2113.7159.8-154.1179-163.900109
106E40.6Very low38Very low163 Ų163165.9 Ų165.976%0.76282%0.822SS**  trans-68.4138.8167.3-79.2177.5128.400110
107Q35.8Very low37.9Very low157 Ų157168.5 Ų168.573%0.73482%0.822SS**  -173.6131.1125.5-100.5172.854.300114.4
108K34.8Very low37.6Very low180 Ų180167.6 Ų167.678%0.78382%0.818SS**  trans78.7112.5140.8-71.2173.2-178.6169.10121.3
109R40.6Very low37.7Very low243 Ų243173.1 Ų173.192%0.91783%0.825SS**  trans-11.7127.6144.7-73.1176.2163.1-137.9-2.2116.2
110T34.4Very low37.6Very low135 Ų135175 Ų17583%0.82883%0.826SS**  trans-150.6132.1132.946.60000110.5
111E42.9Very low37.8Very low190 Ų190176.8 Ų176.889%0.88883%0.828SS**  trans-53.4133.7170.6-62.2163.1130.600111.9
112K34.7Very low37.9Very low198 Ų198172.8 Ų172.886%0.86182%0.824SS**  trans-147122.6147.5-68-165.3-179.8172.70111.5
113T33.4Very low38.4Very low139 Ų139171.9 Ų171.985%0.85382%0.822SS**  trans-50.2132170.38.10000112.7V115T113-V115 PolarHBondContact O-N 3.49Å
114K36.2Very low38.8Very low210 Ų210174.4 Ų174.491%0.91382%0.823SS**  trans-86.4109174.2-163.3177.5-175.4-177.90109.4
115V36.1Very low39.3Very low124 Ų124177 Ų17775%0.75283%0.828SS**  trans-77.2124.6174173.60000109.5T113T113-V115 PolarHBondContact O-N 3.49Å
116E37.1Very low39.5Very low160 Ų160176.3 Ų176.375%0.74882%0.824SS**  trans-68.3124.7167.5-73.6-170.715100110.7
117L42.4Very low39.8Very low149 Ų149176 Ų17678%0.7883%0.828SS**  trans-96.893.1169.6-154.588.6000109.8R119L117-R119 PolarHBondContact O-N 3.28Å
118K34.4Very low40.4Very low181 Ų181178.7 Ų178.779%0.78784%0.837SS**  trans-68.6115.7164.7-79.6176.4176.6173.20109.6
119R41.5Very low40.9Very low225 Ų225173.6 Ų173.685%0.84983%0.829SS**  trans-89.5112.8159.7-77.8-175.8172.2-179.3-2.1108.6L117L117-R119 PolarHBondContact O-N 3.28Å
120R36.5Very low41.6Very low237 Ų237169.9 Ų169.989%0.89482%0.822SS**  trans-72130.8171.2-78.5-175.5-179.1-122.64.5109.7
121I46.5Very low42.2Very low154 Ų154168.7 Ų168.779%0.7982%0.817SS**  trans-105.5134.6161.9-60.9169.7000105.8
122P40Very low42.7Very low126 Ų126170 Ų17082%0.81881%0.813SS**  trans-57.2139.9179.9-28.136.7000113.7
123Q47.8Very low43.8Very low181 Ų181169.5 Ų169.585%0.84681%0.811SS**  trans-102.985.1-165.8179.3-168.9-11.200109.4
124E45.2Very low45.4Very low179 Ų179167.9 Ų167.984%0.83681%0.806SS**  trans-147.4139.1156.8-67.5-154.9179.800107.7
125F43.9Very low47.1Very low200 Ų200162.3 Ų162.388%0.87779%0.789SS**  trans84.656.7-164-66.1-90000117.2
126H45.6Very low49.2Very low172 Ų172166 Ų16680%0.79679%0.789SS**  trans-133.570.4159.6-97.539.9000111
127D46.5Very low51.1Low155 Ų155166 Ų16683%0.82979%0.79SS**SBendtrans-132.410.8167.3-85.6-32.2000114.4
128F48.3Very low53Low215 Ų215162.7 Ų162.794%0.94378%0.779SS**SBendtrans-139.824.4176.6-91.4-78.9000115.6
129A45.4Very low55.4Low73 Ų73157.3 Ų157.360%0.60376%0.761SS**  trans-118.880.1177.100000110.8P131A129-P131 WeakPolarHBondContact O-CD 3.39Å
130E54.4Low57.5Low164 Ų164149.3 Ų149.377%0.76674%0.74SS**  trans-52121.3148.7-90.4-176.5157.200107.2R132E130-R132 PolarHBondContact O-N 3.31Å
131P46.8Very low59.9Low111 Ų111143.5 Ų143.572%0.72172%0.723SS**  trans-71.587.5177.728.6-32.3000108.3A129 K133A129-P131 WeakPolarHBondContact O-CD 3.39Å; P131-K133 VanDerWaalsContact C-N 3.25Å; P131-K133 PolarHBondContact O-N 3.04Å
132R53.7Low61.9Low216 Ų216142.1 Ų142.182%0.81571%0.713SS**  trans-63.790.7166.1-72.3-176.6172.4-175.3-2107.7E130 S134E130-R132 PolarHBondContact O-N 3.31Å; R132-S134 PolarHBondContact O-N 3.15Å
133K58.3Low64.4Low188 Ų188139.9 Ų139.982%0.81770%0.697SS**  trans-69.371.5162.3-63.6177.9-176.1179.70107.5P131 V135P131-K133 VanDerWaalsContact C-N 3.25Å; P131-K133 PolarHBondContact O-N 3.04Å; K133-V135 VanDerWaalsContact C-N 3.28Å; K133-V135 PolarHBondContact O-N 2.76Å
134S65.8Low66.5Low106 Ų106140.1 Ų140.174%0.74169%0.69SS**  trans-74.690.1172.160.80000108.2R132 R136R132-S134 PolarHBondContact O-N 3.15Å; S134-R136 PolarHBondContact O-N 2.84Å
135V72.6Confident68.7Low93 Ų93138.2 Ų138.256%0.56468%0.679SS**  trans-61.6131.8163.8177.40000106.8K133 Q137 T139K133-V135 VanDerWaalsContact C-N 3.28Å; K133-V135 PolarHBondContact O-N 2.76Å; V135-Q137 PolarHBondContact O-N 3.27Å; V135-T139 HydrophobicContact CG1-CG2 4.33Å
136R80.2Confident70.8Confident200 Ų200131.4 Ų131.476%0.75565%0.654SS**  trans-53.2138.3-179.8-67.8179.4176.9-165-1.2109.1S134 S138 T139 S140S134-R136 PolarHBondContact O-N 2.84Å; R136-S138 PolarHBondContact O-N 3.17Å; R136-S138 VanDerWaalsContact O-N 3.12Å; R136-T139 WeakPolarHBondContact O-CA 3.43Å; R136-T139 WeakPolarHBondContact O-CB 3.23Å; R136-T139 PolarHBondContact O-N 3.28Å; R136-T139 PolarHBondContact O-OG1 3.27Å; R136-S140 PolarHBondContact O-N 3.43Å; R136-S140 VanDerWaalsContact O-N 3.14Å
137Q77.7Confident73Confident161 Ų161127.9 Ų127.975%0.75264%0.641SS**Hα-helixtrans-53.5-35.8-178.1-70.7179.1-16.200112.3V135 T139 S140 E141V135-Q137 PolarHBondContact O-N 3.27Å; Q137-T139 VanDerWaalsContact C-N 3.33Å; Q137-T139 PolarHBondContact O-N 3.24Å; Q137-S140 PolarHBondContact O-N 3.44Å; Q137-S140 PolarHBondContact O-OG 3.32Å; Q137-E141 WeakPolarHBondContact O-CB 3.42Å; Q137-E141 WeakPolarHBondContact O-CG 3.33Å; Q137-E141 PolarHBondContact O-N 3.42Å
138S81.8Confident75.2Confident80 Ų80125 Ų12556%0.55963%0.625SS**Hα-helixtrans-62.1-38.7174.656.30000113R136 H142R136-S138 PolarHBondContact O-N 3.17Å; R136-S138 VanDerWaalsContact O-N 3.12Å; S138-H142 VanDerWaalsContact O-CB 3.25Å; S138-H142 WeakPolarHBondContact O-CB 3.22Å; S138-H142 PolarHBondContact O-N 3.01Å
139T84.4Confident77Confident67 Ų67122.3 Ų122.341%0.41161%0.609SS.*Hα-helixtrans-72.4-35.9178.9-22.40000111.4V135 R136 Q137 T143V135-T139 HydrophobicContact CG1-CG2 4.33Å; R136-T139 WeakPolarHBondContact O-CA 3.43Å; R136-T139 WeakPolarHBondContact O-CB 3.23Å; R136-T139 PolarHBondContact O-N 3.28Å; R136-T139 PolarHBondContact O-OG1 3.27Å; Q137-T139 VanDerWaalsContact C-N 3.33Å; Q137-T139 PolarHBondContact O-N 3.24Å; T139-T143 VanDerWaalsContact O-CB 3.29Å; T139-T143 WeakPolarHBondContact O-CB 3.48Å; T139-T143 PolarHBondContact O-N 2.96Å; T139-T143 PolarHBondContact O-OG1 3.49Å
140S86.1Confident79Confident58 Ų58123.3 Ų123.341%0.40660%0.604SS.*Hα-helixtrans-70.9-40.4176640000112R136 Q137 T143 R144R136-S140 PolarHBondContact O-N 3.43Å; R136-S140 VanDerWaalsContact O-N 3.14Å; Q137-S140 PolarHBondContact O-N 3.44Å; Q137-S140 PolarHBondContact O-OG 3.32Å; S140-T143 PolarHBondContact O-N 2.91Å; S140-R144 WeakPolarHBondContact O-CB 3.34Å; S140-R144 PolarHBondContact O-N 2.84Å
141E87.6Confident80.6Confident114 Ų114120.3 Ų120.353%0.53359%0.59SS.*Hα-helixtrans-64.8-42.3173.4-75.1-174.4179.400112.2Q137 R144 K145Q137-E141 WeakPolarHBondContact O-CB 3.42Å; Q137-E141 WeakPolarHBondContact O-CG 3.33Å; Q137-E141 PolarHBondContact O-N 3.42Å; E141-R144 PolarHBondContact O-N 3.2Å; E141-K145 WeakPolarHBondContact O-CB 3.19Å; E141-K145 WeakPolarHBondContact O-CG 3.39Å; E141-K145 PolarHBondContact O-N 2.8Å
142H88.8Confident82.4Confident125 Ų125121.7 Ų121.758%0.57959%0.586SS**Hα-helixtrans-63.9-46.8176.6-166.279.1000110.9S138 R144 K145 T146S138-H142 VanDerWaalsContact O-CB 3.25Å; S138-H142 WeakPolarHBondContact O-CB 3.22Å; S138-H142 PolarHBondContact O-N 3.01Å; H142-R144 VanDerWaalsContact C-N 3.31Å; H142-R144 PolarHBondContact O-N 3.32Å; H142-K145 PolarHBondContact O-N 3.05Å; H142-K145 VanDerWaalsContact O-N 3.14Å; H142-T146 PolarHBondContact O-N 2.88Å; H142-T146 PolarHBondContact O-OG1 2.78Å
143T92.1Very high83.7Confident80 Ų80120.2 Ų120.249%0.49158%0.581SS.*Hα-helixtrans-57.4-44.3176.6-56.90000111.4T139 S140 T146 N147T139-T143 VanDerWaalsContact O-CB 3.29Å; T139-T143 WeakPolarHBondContact O-CB 3.48Å; T139-T143 PolarHBondContact O-N 2.96Å; T139-T143 PolarHBondContact O-OG1 3.49Å; S140-T143 PolarHBondContact O-N 2.91Å; T143-T146 VanDerWaalsContact CA-OG1 3.29Å; T143-T146 WeakPolarHBondContact CA-OG1 3.47Å; T143-T146 PolarHBondContact O-N 2.97Å; T143-T146 PolarHBondContact O-OG1 3.4Å; T143-N147 WeakPolarHBondContact O-CB 3.37Å; T143-N147 PolarHBondContact O-N 3.41Å
144R90.9Very high84.6Confident186 Ų186118.9 Ų118.970%0.70258%0.577SS**Hα-helixtrans-63.4-42.9176.7-177.1179.2167.1-172.2-3.7112.1S140 E141 H142 N147 L148S140-R144 WeakPolarHBondContact O-CB 3.34Å; S140-R144 PolarHBondContact O-N 2.84Å; E141-R144 PolarHBondContact O-N 3.2Å; H142-R144 VanDerWaalsContact C-N 3.31Å; H142-R144 PolarHBondContact O-N 3.32Å; R144-N147 PolarHBondContact O-N 3.4Å; R144-L148 HydrophobicContact CG-CD1 4.39Å; R144-L148 PolarHBondContact O-N 3.13Å
145K91.2Very high85Confident139 Ų139119.3 Ų119.360%0.60457%0.572SS**Hα-helixtrans-63.6-43176.6-77.3176179.2172.80111.9E141 H142 N147 R149E141-K145 WeakPolarHBondContact O-CB 3.19Å; E141-K145 WeakPolarHBondContact O-CG 3.39Å; E141-K145 PolarHBondContact O-N 2.8Å; H142-K145 PolarHBondContact O-N 3.05Å; H142-K145 VanDerWaalsContact O-N 3.14Å; K145-N147 VanDerWaalsContact C-N 3.35Å; K145-R149 PolarHBondContact O-N 3.47Å; K145-R149 VanDerWaalsContact O-N 3.12Å
146T89.3Confident84.9Confident57 Ų57117.4 Ų117.435%0.3557%0.566SS.*Hα-helixtrans-64.2-38.8174.931.10000112.5H142 T143 R149 L150H142-T146 PolarHBondContact O-N 2.88Å; H142-T146 PolarHBondContact O-OG1 2.78Å; T143-T146 VanDerWaalsContact CA-OG1 3.29Å; T143-T146 WeakPolarHBondContact CA-OG1 3.47Å; T143-T146 PolarHBondContact O-N 2.97Å; T143-T146 PolarHBondContact O-OG1 3.4Å; T146-R149 PolarHBondContact O-N 3.04Å; T146-L150 WeakPolarHBondContact O-CG 3.28Å; T146-L150 PolarHBondContact O-N 3Å
147N91.6Very high84.3Confident98 Ų98112.6 Ų112.652%0.52456%0.56SS.*Hα-helixtrans-69.3-41.7-179.7-158.9-96.5000111.7T143 R144 K145 R149 L150 Q151T143-N147 WeakPolarHBondContact O-CB 3.37Å; T143-N147 PolarHBondContact O-N 3.41Å; R144-N147 PolarHBondContact O-N 3.4Å; K145-N147 VanDerWaalsContact C-N 3.35Å; N147-R149 VanDerWaalsContact C-N 3.33Å; N147-R149 PolarHBondContact O-N 3.47Å; N147-L150 PolarHBondContact O-N 2.75Å; N147-Q151 PolarHBondContact O-N 3.19Å
148L91.9Very high83.7Confident95 Ų95116.8 Ų116.850%0.49757%0.569SS.*Hα-helixtrans-58.8-42.3172.1-79.1169.5000112.2R144 L150 Q151 E152R144-L148 HydrophobicContact CG-CD1 4.39Å; R144-L148 PolarHBondContact O-N 3.13Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.14Å; L148-Q151 PolarHBondContact O-N 3.3Å; L148-E152 WeakPolarHBondContact O-CB 3.46Å; L148-E152 PolarHBondContact O-N 2.87Å
149R86.8Confident82.7Confident158 Ų158123.4 Ų123.460%0.59658%0.582SS**Hα-helixtrans-64.9-35.3176.8-172-176-72.1173.5-5.1112.6K145 T146 N147 R153K145-R149 PolarHBondContact O-N 3.47Å; K145-R149 VanDerWaalsContact O-N 3.12Å; T146-R149 PolarHBondContact O-N 3.04Å; N147-R149 VanDerWaalsContact C-N 3.33Å; N147-R149 PolarHBondContact O-N 3.47Å; R149-R153 WeakPolarHBondContact O-CG 3.46Å; R149-R153 PolarHBondContact O-N 2.79Å
150L87.9Confident81.6Confident94 Ų94132 Ų13249%0.49261%0.606SS.*Hα-helixtrans-70.8-41.9175.7-78.4168.4000111.5T146 N147 L148 R153 Q154T146-L150 WeakPolarHBondContact O-CG 3.28Å; T146-L150 PolarHBondContact O-N 3Å; N147-L150 PolarHBondContact O-N 2.75Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.14Å; L150-R153 PolarHBondContact O-N 3.46Å; L150-Q154 WeakPolarHBondContact O-CG 3.41Å; L150-Q154 PolarHBondContact O-N 3.03Å; L150-Q154 VanDerWaalsContact O-N 3.09Å
151Q88.3Confident80.1Confident101 Ų101141 Ų14147%0.47263%0.631SS.*Hα-helixtrans-64.2-44.3177-171.816513.800111.2N147 L148 R153 Q154 D155N147-Q151 PolarHBondContact O-N 3.19Å; L148-Q151 PolarHBondContact O-N 3.3Å; Q151-R153 VanDerWaalsContact C-N 3.29Å; Q151-R153 PolarHBondContact O-N 3.2Å; Q151-Q154 PolarHBondContact O-N 3.13Å; Q151-D155 WeakPolarHBondContact CG-OD2 3.29Å; Q151-D155 PolarHBondContact O-N 3.46Å
152E84.6Confident78.9Confident140 Ų140138.5 Ų138.565%0.65464%0.637SS**Hα-helixtrans-59.2-37.6174.4-174179.6-159.800112.5L148 Q154 A156L148-E152 WeakPolarHBondContact O-CB 3.46Å; L148-E152 PolarHBondContact O-N 2.87Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-A156 WeakPolarHBondContact O-CB 3.4Å; E152-A156 PolarHBondContact O-N 3.1Å
153R79.6Confident77.5Confident184 Ų184137 Ų13769%0.69465%0.646SS**Hα-helixtrans-69.4-29.3174.2-76.7178.2-177.4-165.1-0.2113.5R149 L150 Q151R149-R153 WeakPolarHBondContact O-CG 3.46Å; R149-R153 PolarHBondContact O-N 2.79Å; L150-R153 PolarHBondContact O-N 3.46Å; Q151-R153 VanDerWaalsContact C-N 3.29Å; Q151-R153 PolarHBondContact O-N 3.2Å
154Q78.5Confident75.8Confident160 Ų160140.7 Ų140.775%0.74866%0.657SS**Hα-helixtrans-79.6-38.7177.5-72.3-17722.900111.6L150 Q151 E152L150-Q154 WeakPolarHBondContact O-CG 3.41Å; L150-Q154 PolarHBondContact O-N 3.03Å; L150-Q154 VanDerWaalsContact O-N 3.09Å; Q151-Q154 PolarHBondContact O-N 3.13Å; E152-Q154 VanDerWaalsContact C-N 3.34Å
155D74.4Confident74.2Confident116 Ų116142.6 Ų142.662%0.6267%0.665SS**Hα-helixtrans-82.4-16.6-179.9-66.1-28.1000112.7Q151 P157Q151-D155 WeakPolarHBondContact CG-OD2 3.29Å; Q151-D155 PolarHBondContact O-N 3.46Å; D155-P157 VanDerWaalsContact O-CD 3.29Å; D155-P157 WeakPolarHBondContact O-CD 3.14Å
156A68.8Low72.9Confident53 Ų53142.1 Ų142.144%0.43867%0.668SS.*SBendtrans-66.4117174.300000110.2E152 R158E152-A156 WeakPolarHBondContact O-CB 3.4Å; E152-A156 PolarHBondContact O-N 3.1Å; A156-R158 PolarHBondContact O-N 2.8Å
157P68.1Low72.2Confident98 Ų98150 Ų15064%0.63669%0.692SS**  trans-59.1134.7172.625.1-32.8000108.3D155 R159D155-P157 VanDerWaalsContact O-CD 3.29Å; D155-P157 WeakPolarHBondContact O-CD 3.14Å; P157-R159 PolarHBondContact O-N 3.49Å
158R64.8Low71.5Confident249 Ų249150.9 Ų150.994%0.9470%0.703SS**  trans-60.687175-66178.2100159.44.5108.5A156 R160A156-R158 PolarHBondContact O-N 2.8Å; R158-R160 PolarHBondContact O-N 2.81Å; R158-R160 VanDerWaalsContact O-N 3.08Å
159R60.4Low70.9Confident219 Ų219149.9 Ų149.983%0.82670%0.698SS**  trans-64.5113179.1-71.4-168.6174.2-153.8-0.7107P157 R161P157-R159 PolarHBondContact O-N 3.49Å; R159-R161 PolarHBondContact O-N 3.47Å; R159-R161 VanDerWaalsContact O-N 3.14Å
160R62.4Low71Confident247 Ų247146 Ų14693%0.93269%0.691SS**  trans-60.8116.1158.7-68.5-166.7179.5-157.40.5105.6R158 G162R158-R160 PolarHBondContact O-N 2.81Å; R158-R160 VanDerWaalsContact O-N 3.08Å; R160-G162 VanDerWaalsContact C-N 3.25Å; R160-G162 PolarHBondContact O-N 3.3Å
161R54.8Low71.1Confident247 Ų247149.1 Ų149.193%0.93270%0.703SS**  trans-65.691.9174.6-66.9-169.1-178.8-150.63.3107.3R159R159-R161 PolarHBondContact O-N 3.47Å; R159-R161 VanDerWaalsContact O-N 3.14Å
162G61.2Low71.2Confident62 Ų62152 Ų15264%0.63972%0.717SS**  trans-64.1144.316000000108R160 H164R160-G162 VanDerWaalsContact C-N 3.25Å; R160-G162 PolarHBondContact O-N 3.3Å; G162-H164 PolarHBondContact O-N 3.13Å
163A60.1Low71.5Confident94 Ų94149.7 Ų149.778%0.77771%0.706SS**  trans-51.2110.7176.400000109.3R165A163-R165 PolarHBondContact O-N 3.5Å
164H55.5Low71.9Confident157 Ų157145.5 Ų145.573%0.72770%0.697SS**  trans-67.2100.4176-167-87.4000106.6G162 D166G162-H164 PolarHBondContact O-N 3.13Å; H164-D166 IonicContact CE1-OD1 2.85Å; H164-D166 PolarHBondContact CE1-OD1 2.83Å; H164-D166 IonicContact ND1-OD1 2.74Å; H164-D166 PolarHBondContact ND1-OD1 2.84Å; H164-D166 IonicContact ND1-OD2 3.99Å; H164-D166 PolarHBondContact O-N 3.4Å
165R58.8Low72.7Confident227 Ų227143.4 Ų143.486%0.85769%0.69SS**  trans-84.6101.7170.8-70.1-174.5172.9-159.5-2.5106A163 R167A163-R165 PolarHBondContact O-N 3.5Å; R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 3.22Å
166D62.4Low73.6Confident128 Ų128140.3 Ų140.368%0.68468%0.681SS**  trans-59.3101166.7-65.7-43.7000107.6H164 P168H164-D166 IonicContact CE1-OD1 2.85Å; H164-D166 PolarHBondContact CE1-OD1 2.83Å; H164-D166 IonicContact ND1-OD1 2.74Å; H164-D166 PolarHBondContact ND1-OD1 2.84Å; H164-D166 IonicContact ND1-OD2 3.99Å; H164-D166 PolarHBondContact O-N 3.4Å; D166-P168 WeakPolarHBondContact O-CD 3.43Å
167R75.9Confident74.7Confident224 Ų224143 Ų14385%0.84569%0.685SS**PPolyproline II helixtrans-65.3124166.2-178.4107.1176.7-159.8-1.4105.3R165 L169R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 3.22Å; R167-L169 PolarHBondContact O-N 2.75Å; R167-L169 VanDerWaalsContact O-N 3.07Å
168P76.4Confident76Confident115 Ų115141 Ų14175%0.74768%0.677SS**PPolyproline II helixtrans-58121.2173.322.5-30.8000108.4D166D166-P168 WeakPolarHBondContact O-CD 3.43Å
169L79.4Confident77.5Confident75 Ų75135.7 Ų135.739%0.39366%0.66SS.*PPolyproline II helixtrans-64.1133.2-174.6-160.368.3000109.1R167 E173 L174 E177R167-L169 PolarHBondContact O-N 2.75Å; R167-L169 VanDerWaalsContact O-N 3.07Å; L169-E173 HydrophobicContact CD1-CB 3.5Å; L169-E173 VanDerWaalsContact CD1-CB 3.5Å; L169-E173 HydrophobicContact CD1-CG 4.07Å; L169-E173 VanDerWaalsContact CD1-OE2 3.3Å; L169-E173 WeakPolarHBondContact CD1-OE2 3.39Å; L169-E173 HydrophobicContact CD2-CB 3.92Å; L169-E173 HydrophobicContact CG-CB 3.38Å; L169-E173 HydrophobicContact CG-CG 4.41Å; L169-L174 HydrophobicContact CB-CG 4.46Å; L169-L174 HydrophobicContact CD2-CG 4.14Å; L169-E177 VanDerWaalsContact CD2-OE2 3.32Å; L169-E177 WeakPolarHBondContact CD2-OE2 3.44Å
170T89.5Confident79.2Confident76 Ų76130.2 Ų130.247%0.46665%0.646SS.*PPolyproline II helixtrans-66.7158.617861.70000110.6E172 E173 L174T170-E172 PolarHBondContact O-N 3.48Å; T170-E173 WeakPolarHBondContact CB-OE2 3.33Å; T170-E173 PolarHBondContact N-OE2 3.03Å; T170-E173 PolarHBondContact O-N 2.79Å; T170-E173 VanDerWaalsContact O-N 3.11Å; T170-E173 VanDerWaalsContact OG1-CG 3.24Å; T170-E173 WeakPolarHBondContact OG1-CG 3.44Å; T170-E173 PolarHBondContact OG1-OE2 3.45Å; T170-L174 PolarHBondContact O-N 3.27Å
171Q89.8Confident80.7Confident159 Ų159121.6 Ų121.674%0.74362%0.621SS**Hα-helixtrans-59.7-33.7-178.9-173169.311.500112.8L175Q171-L175 WeakPolarHBondContact O-CG 3.16Å; Q171-L175 PolarHBondContact O-N 2.82Å; Q171-L175 VanDerWaalsContact O-N 3.12Å
172E90.4Very high82.7Confident161 Ų161112 Ų11275%0.75260%0.595SS**Hα-helixtrans-67.6-40.5175.9-65.2-176.3173.600112T170 L175 A176T170-E172 PolarHBondContact O-N 3.48Å; E172-L175 PolarHBondContact O-N 3Å; E172-A176 PolarHBondContact O-N 3.08Å
173E89.6Confident84.4Confident92 Ų92113 Ų11343%0.4358%0.583SS.*Hα-helixtrans-68.2-38.1177.3-73.5166.715200111.6L169 T170 L175 A176 E177L169-E173 HydrophobicContact CD1-CB 3.5Å; L169-E173 VanDerWaalsContact CD1-CB 3.5Å; L169-E173 HydrophobicContact CD1-CG 4.07Å; L169-E173 VanDerWaalsContact CD1-OE2 3.3Å; L169-E173 WeakPolarHBondContact CD1-OE2 3.39Å; L169-E173 HydrophobicContact CD2-CB 3.92Å; L169-E173 HydrophobicContact CG-CB 3.38Å; L169-E173 HydrophobicContact CG-CG 4.41Å; T170-E173 WeakPolarHBondContact CB-OE2 3.33Å; T170-E173 PolarHBondContact N-OE2 3.03Å; T170-E173 PolarHBondContact O-N 2.79Å; T170-E173 VanDerWaalsContact O-N 3.11Å; T170-E173 VanDerWaalsContact OG1-CG 3.24Å; T170-E173 WeakPolarHBondContact OG1-CG 3.44Å; T170-E173 PolarHBondContact OG1-OE2 3.45Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 3.14Å; E173-A176 PolarHBondContact O-N 2.89Å; E173-E177 WeakPolarHBondContact O-CB 3.33Å; E173-E177 PolarHBondContact O-N 3.19Å
174L89.6Confident86.1Confident96 Ų96112.3 Ų112.350%0.50357%0.569SS.*Hα-helixtrans-58.1-43.5170.1-89.1149.9000112L169 T170 E177 A178L169-L174 HydrophobicContact CB-CG 4.46Å; L169-L174 HydrophobicContact CD2-CG 4.14Å; T170-L174 PolarHBondContact O-N 3.27Å; L174-E177 PolarHBondContact O-N 2.82Å; L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 2.95Å; L174-A178 PolarHBondContact O-N 3.02Å
175L94.6Very high88Confident116 Ų116109.7 Ų109.761%0.60756%0.56SS**Hα-helixtrans-68.7-35.4177.2-69.7173.5000112Q171 E172 E173 K179Q171-L175 WeakPolarHBondContact O-CG 3.16Å; Q171-L175 PolarHBondContact O-N 2.82Å; Q171-L175 VanDerWaalsContact O-N 3.12Å; E172-L175 PolarHBondContact O-N 3Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 3.14Å; L175-K179 WeakPolarHBondContact O-CB 3.43Å; L175-K179 PolarHBondContact O-N 3.29Å
176A93.3Very high89.8Confident52 Ų52103.4 Ų103.443%0.4354%0.542SS..Hα-helixtrans-66.8-42.5174.500000111.7E172 E173 K179 I180E172-A176 PolarHBondContact O-N 3.08Å; E173-A176 PolarHBondContact O-N 2.89Å; A176-K179 WeakPolarHBondContact O-CB 3.49Å; A176-K179 PolarHBondContact O-N 3.04Å; A176-I180 WeakPolarHBondContact O-CG1 3.45Å; A176-I180 PolarHBondContact O-N 3.44Å
177E90.8Very high91.5Very high110 Ų110105.1 Ų105.151%0.51454%0.539SS..Hα-helixtrans-65.1-41.7175-173.3176.3-178.200111.7L169 E173 L174 K179 I180 T181L169-E177 VanDerWaalsContact CD2-OE2 3.32Å; L169-E177 WeakPolarHBondContact CD2-OE2 3.44Å; E173-E177 WeakPolarHBondContact O-CB 3.33Å; E173-E177 PolarHBondContact O-N 3.19Å; L174-E177 PolarHBondContact O-N 2.82Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 2.68Å; E177-I180 PolarHBondContact O-N 3.31Å; E177-T181 WeakPolarHBondContact O-CB 3.44Å; E177-T181 PolarHBondContact O-N 3.2Å; E177-T181 PolarHBondContact O-OG1 3.31Å
178A95.4Very high92.4Very high56 Ų5698.1 Ų98.146%0.46353%0.525SS..Hα-helixtrans-60.4-39.4174.100000111.7L174 T181 A182L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 2.95Å; L174-A178 PolarHBondContact O-N 3.02Å; A178-T181 PolarHBondContact O-N 2.87Å; A178-A182 WeakPolarHBondContact O-CB 3.47Å; A178-A182 PolarHBondContact O-N 3.36Å
179K96.7Very high93.3Very high136 Ų13697.6 Ų97.659%0.59152%0.515SS*.Hα-helixtrans-64.3-44.8175.3-175.4-178.7175.9-1760112L175 A176 E177 T181 A182 E183L175-K179 WeakPolarHBondContact O-CB 3.43Å; L175-K179 PolarHBondContact O-N 3.29Å; A176-K179 WeakPolarHBondContact O-CB 3.49Å; A176-K179 PolarHBondContact O-N 3.04Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 2.68Å; K179-T181 VanDerWaalsContact C-N 3.32Å; K179-T181 PolarHBondContact O-N 2.82Å; K179-A182 PolarHBondContact O-N 2.66Å; K179-E183 WeakPolarHBondContact CE-OE1 3.42Å; K179-E183 PolarHBondContact O-N 3.3Å
180I96.3Very high94.1Very high105 Ų10598.5 Ų98.554%0.53852%0.517SS..Hα-helixtrans-61.9-44.3176.9-66.4164.3000110A176 E177 A182 E183 V184A176-I180 WeakPolarHBondContact O-CG1 3.45Å; A176-I180 PolarHBondContact O-N 3.44Å; E177-I180 PolarHBondContact O-N 3.31Å; I180-A182 VanDerWaalsContact C-N 3.33Å; I180-A182 PolarHBondContact O-N 2.93Å; I180-E183 PolarHBondContact O-N 3.18Å; I180-V184 HydrophobicContact CG2-CG2 4.49Å; I180-V184 WeakPolarHBondContact O-CG2 3.33Å; I180-V184 PolarHBondContact O-N 3.37Å
181T95.3Very high94.3Very high65 Ų6599.3 Ų99.340%0.39952%0.518SS..Hα-helixtrans-62.4-41.2177.9-55.30000111.3E177 A178 K179 V184 N185E177-T181 WeakPolarHBondContact O-CB 3.44Å; E177-T181 PolarHBondContact O-N 3.2Å; E177-T181 PolarHBondContact O-OG1 3.31Å; A178-T181 PolarHBondContact O-N 2.87Å; K179-T181 VanDerWaalsContact C-N 3.32Å; K179-T181 PolarHBondContact O-N 2.82Å; T181-V184 PolarHBondContact O-N 2.92Å; T181-N185 WeakPolarHBondContact O-CB 3.47Å; T181-N185 PolarHBondContact O-N 3.41Å; T181-N185 PolarHBondContact O-OD1 3.14Å
182A95.8Very high94.5Very high46 Ų4698.3 Ų98.338%0.3851%0.509SS..Hα-helixtrans-62.1-43.9174.900000111.8A178 K179 I180 V184 N185 I186A178-A182 WeakPolarHBondContact O-CB 3.47Å; A178-A182 PolarHBondContact O-N 3.36Å; K179-A182 PolarHBondContact O-N 2.66Å; I180-A182 VanDerWaalsContact C-N 3.33Å; I180-A182 PolarHBondContact O-N 2.93Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-V184 PolarHBondContact O-N 3.47Å; A182-N185 PolarHBondContact O-N 3.14Å; A182-I186 WeakPolarHBondContact O-CD1 3.41Å; A182-I186 VanDerWaalsContact O-CG1 3.23Å; A182-I186 WeakPolarHBondContact O-CG1 3.35Å; A182-I186 PolarHBondContact O-N 3.02Å
183E96.6Very high94.7Very high83 Ų8396.2 Ų96.239%0.38850%0.499SS..Hα-helixtrans-62.5-40.1175.2-72.5179.9-161.600112.2K179 I180 I186 R187K179-E183 WeakPolarHBondContact CE-OE1 3.42Å; K179-E183 PolarHBondContact O-N 3.3Å; I180-E183 PolarHBondContact O-N 3.18Å; E183-I186 PolarHBondContact O-N 3.09Å; E183-R187 WeakPolarHBondContact O-CG 3.25Å; E183-R187 PolarHBondContact O-N 2.85Å
184V96.5Very high94.9Very high80 Ų80100 Ų10049%0.48551%0.509SS..Hα-helixtrans-65.4-43.3175.4171.80000111I180 T181 A182 R187 S188I180-V184 HydrophobicContact CG2-CG2 4.49Å; I180-V184 WeakPolarHBondContact O-CG2 3.33Å; I180-V184 PolarHBondContact O-N 3.37Å; T181-V184 PolarHBondContact O-N 2.92Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-V184 PolarHBondContact O-N 3.47Å; V184-R187 PolarHBondContact O-N 3.42Å; V184-S188 WeakPolarHBondContact O-CB 3.29Å; V184-S188 PolarHBondContact O-N 3.12Å
185N95.7Very high94.8Very high101 Ų101100.4 Ų100.454%0.5451%0.512SS..Hα-helixtrans-63.4-42.3177.8-72.7-10.1000111.5T181 A182 S188 L189T181-N185 WeakPolarHBondContact O-CB 3.47Å; T181-N185 PolarHBondContact O-N 3.41Å; T181-N185 PolarHBondContact O-OD1 3.14Å; A182-N185 PolarHBondContact O-N 3.14Å; N185-S188 PolarHBondContact O-N 2.88Å; N185-L189 WeakPolarHBondContact O-CB 3.47Å; N185-L189 PolarHBondContact O-N 3.33Å
186I97Very high94.6Very high96 Ų9698.2 Ų98.249%0.49250%0.498SS..Hα-helixtrans-60.5-49.1174.9-69163.5000110.4A182 E183 S188 L189 E190A182-I186 WeakPolarHBondContact O-CD1 3.41Å; A182-I186 VanDerWaalsContact O-CG1 3.23Å; A182-I186 WeakPolarHBondContact O-CG1 3.35Å; A182-I186 PolarHBondContact O-N 3.02Å; E183-I186 PolarHBondContact O-N 3.09Å; I186-S188 VanDerWaalsContact C-N 3.29Å; I186-S188 PolarHBondContact O-N 2.91Å; I186-L189 WeakPolarHBondContact O-CB 3.4Å; I186-L189 PolarHBondContact O-N 2.93Å; I186-E190 WeakPolarHBondContact O-CG 3.46Å; I186-E190 PolarHBondContact O-N 3.4Å
187R96.2Very high94.4Very high164 Ų16497.6 Ų97.662%0.61949%0.493SS*.Hα-helixtrans-62.7-36.5177.7-71.9177.3-173.5165.78.7112.6E183 V184 N191E183-R187 WeakPolarHBondContact O-CG 3.25Å; E183-R187 PolarHBondContact O-N 2.85Å; V184-R187 PolarHBondContact O-N 3.42Å; R187-N191 WeakPolarHBondContact O-CB 3.29Å; R187-N191 PolarHBondContact O-N 3.34Å; R187-N191 VanDerWaalsContact O-N 3.08Å
188S95.4Very high94.1Very high77 Ų7796.4 Ų96.454%0.53849%0.49SS..Hα-helixtrans-65.7-42.4175.6-1740000111.3V184 N185 I186 N191 Y192V184-S188 WeakPolarHBondContact O-CB 3.29Å; V184-S188 PolarHBondContact O-N 3.12Å; N185-S188 PolarHBondContact O-N 2.88Å; I186-S188 VanDerWaalsContact C-N 3.29Å; I186-S188 PolarHBondContact O-N 2.91Å; S188-N191 PolarHBondContact O-N 2.99Å; S188-Y192 WeakPolarHBondContact O-CB 3.46Å; S188-Y192 PolarHBondContact O-N 2.97Å
189L95.4Very high93.6Very high103 Ų103101.8 Ų101.854%0.53950%0.503SS..Hα-helixtrans-61.1-49.8175.3-169.398000111N185 I186 N191 Y192 E193N185-L189 WeakPolarHBondContact O-CB 3.47Å; N185-L189 PolarHBondContact O-N 3.33Å; I186-L189 WeakPolarHBondContact O-CB 3.4Å; I186-L189 PolarHBondContact O-N 2.93Å; L189-N191 VanDerWaalsContact C-N 3.25Å; L189-N191 PolarHBondContact O-N 3.44Å; L189-Y192 WeakPolarHBondContact O-CB 3.38Å; L189-Y192 PolarHBondContact O-N 3.04Å; L189-Y192 VanDerWaalsContact O-N 3.07Å; L189-E193 WeakPolarHBondContact O-CG 3.41Å; L189-E193 PolarHBondContact O-N 3.45Å
190E96.3Very high92.9Very high95 Ų95102.1 Ų102.144%0.44451%0.505SS..Hα-helixtrans-57.6-39.2177.5-71.8176.8177.600112.1I186 R194I186-E190 WeakPolarHBondContact O-CG 3.46Å; I186-E190 PolarHBondContact O-N 3.4Å; E190-R194 WeakPolarHBondContact O-CG 3.32Å; E190-R194 PolarHBondContact O-N 2.96Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191N94.2Very high92Very high92 Ų92104.4 Ų104.449%0.49251%0.511SS..Hα-helixtrans-69.1-40.4176.4-165.727.2000111.8R187 S188 L189 R194 L195R187-N191 WeakPolarHBondContact O-CB 3.29Å; R187-N191 PolarHBondContact O-N 3.34Å; R187-N191 VanDerWaalsContact O-N 3.08Å; S188-N191 PolarHBondContact O-N 2.99Å; L189-N191 VanDerWaalsContact C-N 3.25Å; L189-N191 PolarHBondContact O-N 3.44Å; N191-R194 PolarHBondContact O-N 2.81Å; N191-L195 WeakPolarHBondContact O-CG 3.46Å; N191-L195 PolarHBondContact O-N 2.7Å
192Y93.4Very high90.8Very high138 Ų138108.1 Ų108.154%0.54152%0.524SS..Hα-helixtrans-61.3-44.1174.9-177.1-92.1000111.6S188 L189 R194 L195 E196S188-Y192 WeakPolarHBondContact O-CB 3.46Å; S188-Y192 PolarHBondContact O-N 2.97Å; L189-Y192 WeakPolarHBondContact O-CB 3.38Å; L189-Y192 PolarHBondContact O-N 3.04Å; L189-Y192 VanDerWaalsContact O-N 3.07Å; Y192-R194 VanDerWaalsContact C-N 3.33Å; Y192-R194 PolarHBondContact O-N 3.22Å; Y192-L195 PolarHBondContact O-N 2.94Å; Y192-E196 HydrophobicContact CD1-CG 4.29Å; Y192-E196 HydrophobicContact CE1-CG 3.69Å; Y192-E196 VanDerWaalsContact CE1-OE1 3.3Å; Y192-E196 WeakPolarHBondContact CE1-OE1 3.41Å; Y192-E196 PolarHBondContact O-N 3.48Å; Y192-E196 PolarHBondContact OH-OE1 2.87Å
193E94.7Very high89.7Confident117 Ų117110.8 Ų110.855%0.54754%0.535SS..Hα-helixtrans-60.6-41.2175.7-72.2-179168.700112.3L189 E196 A197L189-E193 WeakPolarHBondContact O-CG 3.41Å; L189-E193 PolarHBondContact O-N 3.45Å; E193-E196 PolarHBondContact O-N 2.78Å; E193-A197 WeakPolarHBondContact O-CB 3.27Å; E193-A197 PolarHBondContact O-N 2.94Å
194R92.9Very high88.5Confident171 Ų171114.5 Ų114.565%0.64555%0.552SS**Hα-helixtrans-61.8-46.3174-74.9180-174.8176.25.3111.7E190 N191 Y192 E196 A197 D198E190-R194 WeakPolarHBondContact O-CG 3.32Å; E190-R194 PolarHBondContact O-N 2.96Å; E190-R194 VanDerWaalsContact O-N 3.1Å; N191-R194 PolarHBondContact O-N 2.81Å; Y192-R194 VanDerWaalsContact C-N 3.33Å; Y192-R194 PolarHBondContact O-N 3.22Å; R194-E196 VanDerWaalsContact C-N 3.34Å; R194-E196 PolarHBondContact O-N 3.2Å; R194-A197 PolarHBondContact O-N 2.68Å; R194-D198 PolarHBondContact O-N 3.32Å
195L88.7Confident87.5Confident105 Ų105119.8 Ų119.855%0.5557%0.568SS.*Hα-helixtrans-62.8-39.5178-71173.5000112N191 Y192 D198 K199N191-L195 WeakPolarHBondContact O-CG 3.46Å; N191-L195 PolarHBondContact O-N 2.7Å; Y192-L195 PolarHBondContact O-N 2.94Å; L195-D198 PolarHBondContact O-N 3.31Å; L195-K199 VanDerWaalsContact O-CB 3.31Å; L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 2.81Å
196E90.1Very high86.6Confident71 Ų71124.4 Ų124.433%0.33258%0.584SS.*Hα-helixtrans-63.7-43.6173.1-86.5-146.5177.400112.6Y192 E193 R194 D198 K199 K200Y192-E196 HydrophobicContact CD1-CG 4.29Å; Y192-E196 HydrophobicContact CE1-CG 3.69Å; Y192-E196 VanDerWaalsContact CE1-OE1 3.3Å; Y192-E196 WeakPolarHBondContact CE1-OE1 3.41Å; Y192-E196 PolarHBondContact O-N 3.48Å; Y192-E196 PolarHBondContact OH-OE1 2.87Å; E193-E196 PolarHBondContact O-N 2.78Å; R194-E196 VanDerWaalsContact C-N 3.34Å; R194-E196 PolarHBondContact O-N 3.2Å; E196-D198 VanDerWaalsContact C-N 3.29Å; E196-D198 PolarHBondContact O-N 2.87Å; E196-K199 PolarHBondContact O-N 3.37Å; E196-K200 WeakPolarHBondContact O-CB 3.37Å; E196-K200 VanDerWaalsContact O-CG 3.28Å; E196-K200 WeakPolarHBondContact O-CG 3.47Å; E196-K200 PolarHBondContact O-N 3.11Å; E196-K200 IonicContact OE2-NZ 2.83Å; E196-K200 PolarHBondContact OE2-NZ 2.84Å
197A89.2Confident85.7Confident38 Ų38131.5 Ų131.531%0.31460%0.604SS.*Hα-helixtrans-61.7-39.8177.800000111.3E193 R194 K200 K201E193-A197 WeakPolarHBondContact O-CB 3.27Å; E193-A197 PolarHBondContact O-N 2.94Å; R194-A197 PolarHBondContact O-N 2.68Å; A197-K200 PolarHBondContact O-N 3.34Å; A197-K201 VanDerWaalsContact O-CG 3.27Å; A197-K201 WeakPolarHBondContact O-CG 3.49Å; A197-K201 PolarHBondContact O-N 2.96Å; A197-K201 VanDerWaalsContact O-N 3.12Å
198D84.2Confident84.8Confident85 Ų85134.4 Ų134.446%0.45562%0.615SS.*Hα-helixtrans-74-37.1178.2-69.8-15.9000112.3R194 L195 E196 K200 K201 Q202R194-D198 PolarHBondContact O-N 3.32Å; L195-D198 PolarHBondContact O-N 3.31Å; E196-D198 VanDerWaalsContact C-N 3.29Å; E196-D198 PolarHBondContact O-N 2.87Å; D198-K200 VanDerWaalsContact C-N 3.29Å; D198-K200 PolarHBondContact O-N 2.83Å; D198-K201 PolarHBondContact O-N 3.42Å; D198-K201 VanDerWaalsContact O-N 3.1Å; D198-K201 IonicContact OD1-NZ 2.84Å; D198-K201 PolarHBondContact OD1-NZ 2.94Å; D198-Q202 WeakPolarHBondContact O-CB 3.29Å; D198-Q202 PolarHBondContact O-N 3.12Å
199K85.8Confident84Confident169 Ų169138.1 Ų138.174%0.73562%0.622SS**Hα-helixtrans-61.3-37.5171.7-169.4175.7-178.3-179.60111.9L195 E196 K201 Q202L195-K199 VanDerWaalsContact O-CB 3.31Å; L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 2.81Å; E196-K199 PolarHBondContact O-N 3.37Å; K199-K201 VanDerWaalsContact C-N 3.35Å; K199-Q202 PolarHBondContact O-N 2.92Å
200K81.1Confident83.5Confident143 Ų143142.1 Ų142.162%0.62264%0.638SS**Hα-helixtrans-68.3-30.8174.1-73.6167.2-174.1156.60112.5E196 A197 D198E196-K200 WeakPolarHBondContact O-CB 3.37Å; E196-K200 VanDerWaalsContact O-CG 3.28Å; E196-K200 WeakPolarHBondContact O-CG 3.47Å; E196-K200 PolarHBondContact O-N 3.11Å; E196-K200 IonicContact OE2-NZ 2.83Å; E196-K200 PolarHBondContact OE2-NZ 2.84Å; A197-K200 PolarHBondContact O-N 3.34Å; D198-K200 VanDerWaalsContact C-N 3.29Å; D198-K200 PolarHBondContact O-N 2.83Å
201K78.2Confident83.1Confident153 Ų153138.9 Ų138.967%0.66563%0.63SS**Hα-helixtrans-77.7-32.5175-66.7165.4-157.5159.70112.5A197 D198 K199 V203A197-K201 VanDerWaalsContact O-CG 3.27Å; A197-K201 WeakPolarHBondContact O-CG 3.49Å; A197-K201 PolarHBondContact O-N 2.96Å; A197-K201 VanDerWaalsContact O-N 3.12Å; D198-K201 PolarHBondContact O-N 3.42Å; D198-K201 VanDerWaalsContact O-N 3.1Å; D198-K201 IonicContact OD1-NZ 2.84Å; D198-K201 PolarHBondContact OD1-NZ 2.94Å; K199-K201 VanDerWaalsContact C-N 3.35Å; K201-V203 PolarHBondContact O-N 3.4Å
202Q69.3Low82.8Confident144 Ų144138.4 Ų138.467%0.67363%0.632SS**  trans-85.547.2-176.3-134.1-177.34100112.9D198 K199 H204D198-Q202 WeakPolarHBondContact O-CB 3.29Å; D198-Q202 PolarHBondContact O-N 3.12Å; K199-Q202 PolarHBondContact O-N 2.92Å; Q202-H204 PolarHBondContact O-N 2.92Å; Q202-H204 VanDerWaalsContact O-N 3.14Å; Q202-H204 PolarHBondContact O-ND1 3.34Å
203V73.7Confident82.7Confident102 Ų102134.7 Ų134.762%0.61862%0.624SS**  trans-71.8110.2168.3179.60000107.6K201 K205K201-V203 PolarHBondContact O-N 3.4Å; V203-K205 VanDerWaalsContact C-N 3.33Å; V203-K205 PolarHBondContact O-N 2.94Å
204H70.8Confident82.6Confident160 Ų160132.2 Ų132.274%0.74161%0.614SS**  trans-63.893.4176.5-72.162.8000109.2Q202 K206Q202-H204 PolarHBondContact O-N 2.92Å; Q202-H204 VanDerWaalsContact O-N 3.14Å; Q202-H204 PolarHBondContact O-ND1 3.34Å; H204-K206 PolarHBondContact O-N 2.91Å; H204-K206 VanDerWaalsContact O-N 3.08Å
205K75.7Confident82.6Confident191 Ų191131.3 Ų131.383%0.8361%0.61SS**  trans-69.3105.8170.7-67.5-177.7-177.9178.60107.2V203 R207V203-K205 VanDerWaalsContact C-N 3.33Å; V203-K205 PolarHBondContact O-N 2.94Å; K205-R207 PolarHBondContact O-N 2.91Å
206K77Confident82.8Confident199 Ų199133.5 Ų133.587%0.86561%0.612SS**  trans-56.9113.3171-66.8-172.9179.8-177.20107.3H204 R208H204-K206 PolarHBondContact O-N 2.91Å; H204-K206 VanDerWaalsContact O-N 3.08Å; K206-R208 PolarHBondContact O-N 2.95Å
207R77.3Confident83Confident245 Ų245133.8 Ų133.893%0.92561%0.613SS**PPolyproline II helixtrans-58.6125174.1-67.1-173.272.7-155.71107.2K205K205-R207 PolarHBondContact O-N 2.91Å
208R78.1Confident83.2Confident224 Ų224136.6 Ų136.685%0.84563%0.631SS**PPolyproline II helixtrans-71.2136.3169.5-67.5-170.2178.2-148.11.3107.3K206K206-R208 PolarHBondContact O-N 2.95Å
209F79.1Confident83.7Confident155 Ų155136 Ų13668%0.6863%0.63SS**PPolyproline II helixtrans-80.6118.1172.9-177.4-102.3000107.6G211 P212 T213F209-G211 VanDerWaalsContact CE1-C 3.43Å; F209-G211 WeakPolarHBondContact CE1-O 3.19Å; F209-P212 WeakPolarHBondContact CE1-O 3.37Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.29Å
210E84.4Confident84.1Confident188 Ų188133.8 Ų133.888%0.87963%0.625SS**  trans-107.457.5-178.6-66.4-178175.600109.7
211G86.5Confident84.5Confident27 Ų27130 Ų13028%0.27861%0.611SS.*SBendtrans-153.3173.2179.400000113.2F209 T213F209-G211 VanDerWaalsContact CE1-C 3.43Å; F209-G211 WeakPolarHBondContact CE1-O 3.19Å; G211-T213 PolarHBondContact O-N 3.33Å; G211-T213 PolarHBondContact O-OG1 3.39Å
212P89.8Confident85Confident81 Ų81126.9 Ų126.953%0.52661%0.606SS.*  trans-58127.6177.7-2232.3000110.5F209 S271 D272 A275F209-P212 WeakPolarHBondContact CE1-O 3.37Å; P212-S271 WeakPolarHBondContact CA-OG 3.48Å; P212-D272 WeakPolarHBondContact CA-OD2 3.45Å; P212-D272 WeakPolarHBondContact CB-OD2 3.39Å; P212-A275 HydrophobicContact CB-CB 3.84Å
213T89.7Confident85.6Confident61 Ų61124.4 Ų124.437%0.37460%0.597SS.*  trans-114.4130.2-174.4-56.60000109.9F209 G211 S271F209-T213 WeakPolarHBondContact CD1-OG1 3.29Å; G211-T213 PolarHBondContact O-N 3.33Å; G211-T213 PolarHBondContact O-OG1 3.39Å; T213-S271 PolarHBondContact N-OG 3.22Å; T213-S271 PolarHBondContact O-N 3.14Å; T213-S271 VanDerWaalsContact O-N 3.08Å
214I92.4Very high85.7Confident65 Ų65124.7 Ų124.733%0.33360%0.599SS.*EExtended strand (participates in β ladder)trans-104.3124.8172.1-53176000108Y216 I268 F270I214-Y216 HydrophobicContact CB-CE2 4.38Å; I214-Y216 HydrophobicContact CG2-CD2 4.37Å; I214-Y216 HydrophobicContact CG2-CE2 3.66Å; I214-I268 HydrophobicContact CG2-CG2 3.54Å; I214-F270 HydrophobicContact CB-CE1 4.5Å; I214-F270 HydrophobicContact CD1-CD1 4.14Å; I214-F270 HydrophobicContact CD1-CE1 3.61Å; I214-F270 HydrophobicContact CD1-CZ 4.5Å; I214-F270 HydrophobicContact CG1-CD1 3.75Å; I214-F270 HydrophobicContact CG1-CE1 3.7Å; I214-F270 HydrophobicContact CG2-CD1 4.42Å; I214-F270 HydrophobicContact CG2-CE1 4.05Å; I214-F270 HydrophobicContact CG2-CZ 4.22Å
215R92.9Very high85.3Confident152 Ų152120.1 Ų120.157%0.57459%0.585SS**EExtended strand (participates in β ladder)trans-116.6131.7-179.4-163.9-176.7-70.3166.71.2110.7H217 I268 T269R215-H217 WeakPolarHBondContact CD-CE1 3.48Å; R215-H217 WeakPolarHBondContact CD-NE2 3.37Å; R215-H217 WeakPolarHBondContact CG-NE2 3.3Å; R215-I268 WeakPolarHBondContact O-CA 3.37Å; R215-T269 PolarHBondContact N-O 3.01Å; R215-T269 PolarHBondContact O-N 2.88Å
216Y94.5Very high84.5Confident151 Ų151119.1 Ų119.159%0.59258%0.583SS**EExtended strand (participates in β ladder)trans-105.6127.6178.8-64.2-96.9000109.8I214 T266 I268I214-Y216 HydrophobicContact CB-CE2 4.38Å; I214-Y216 HydrophobicContact CG2-CD2 4.37Å; I214-Y216 HydrophobicContact CG2-CE2 3.66Å; Y216-T266 HydrophobicContact CD1-CG2 4.39Å; Y216-I268 HydrophobicContact CD1-CD1 4.3Å; Y216-I268 HydrophobicContact CD1-CG1 3.9Å; Y216-I268 HydrophobicContact CE1-CD1 3.81Å; Y216-I268 HydrophobicContact CE1-CG1 3.87Å; Y216-I268 HydrophobicContact CE1-CG2 4.2Å
217H94Very high83.4Confident77 Ų77114.8 Ų114.836%0.35658%0.577SS.*EExtended strand (participates in β ladder)trans-127.1108.3177.7-66.1-68.7000109.9R215 T266 Y267R215-H217 WeakPolarHBondContact CD-CE1 3.48Å; R215-H217 WeakPolarHBondContact CD-NE2 3.37Å; R215-H217 WeakPolarHBondContact CG-NE2 3.3Å; H217-T266 CarbonylContact O-C 3.6Å; H217-T266 WeakPolarHBondContact O-CA 2.9Å; H217-Y267 PolarHBondContact N-O 3.45Å; H217-Y267 PolarHBondContact O-N 3.31Å
218S93.9Very high82.2Confident97 Ų97109.8 Ų109.868%0.67857%0.568SS**EExtended strand (participates in β ladder)trans-90.7128.5170.549.80000110.2R265S218-R265 WeakPolarHBondContact CA-O 3.26Å
219V93.4Very high81Confident73 Ų73105.6 Ų105.644%0.44256%0.562SS.*EExtended strand (participates in β ladder)trans-131.6143.5177.9-174.60000108.9R265 Y267V219-R265 PolarHBondContact N-O 3.13Å; V219-R265 PolarHBondContact O-N 3.3Å; V219-Y267 HydrophobicContact CG2-CD2 4.5Å
220L93.9Very high79.3Confident121 Ų121107.4 Ų107.463%0.63457%0.569SS**EExtended strand (participates in β ladder)trans-78.5122.2171.8-67.2173.3000109.4
221M89.6Confident77.6Confident65 Ų65105.9 Ų105.932%0.3256%0.562SS.*EExtended strand (participates in β ladder)trans-118.7149.3179.4-75.5-68.6-70.600110.4L223 C263 R265M221-L223 PolarHBondContact O-N 3.22Å; M221-C263 PolarHBondContact N-O 3.04Å; M221-C263 PolarHBondContact O-N 3.1Å; M221-C263 PolarHBondContact O-SG 2.83Å; M221-R265 HydrophobicContact CB-CB 4.3Å; M221-R265 HydrophobicContact CG-CB 3.91Å
222P88.4Confident75.6Confident86 Ų86113.1 Ų113.156%0.55859%0.589SS**EExtended strand (participates in β ladder)trans-60.8135.1171.1-21.833.5000111.4V224P222-V224 PolarHBondContact O-N 3.06Å; P222-V224 VanDerWaalsContact O-N 3.14Å
223L82.6Confident73.3Confident93 Ų93115.5 Ų115.549%0.48760%0.597SS.*  trans-74.1100.9174.3-17276.3000108.5M221 S225 G261 C263M221-L223 PolarHBondContact O-N 3.22Å; L223-S225 PolarHBondContact O-N 3.11Å; L223-G261 WeakPolarHBondContact CA-O 3.3Å; L223-G261 WeakPolarHBondContact CB-O 3.38Å; L223-G261 PolarHBondContact N-O 3.02Å; L223-C263 HydrophobicContact CD1-CB 3.9Å
224V75.8Confident71Confident108 Ų108118 Ų11866%0.65561%0.612SS**  trans-77.1102.7173.8-173.40000108.2P222P222-V224 PolarHBondContact O-N 3.06Å; P222-V224 VanDerWaalsContact O-N 3.14Å
225S63.3Low68.7Low64 Ų64122.4 Ų122.445%0.44864%0.636SS.*  trans-67.4129.5170.2420000110.1L223 S227 L228L223-S225 PolarHBondContact O-N 3.11Å; S225-S227 PolarHBondContact O-N 3.08Å; S225-L228 PolarHBondContact O-N 2.97Å
226H57.4Low66.6Low170 Ų170120.9 Ų120.979%0.78764%0.643SS**G310 helixtrans-53.6-9.5180-79-84000115.5L228H226-L228 VanDerWaalsContact C-N 3.32Å; H226-L228 PolarHBondContact O-N 3.36Å
227S54.2Low64.2Low107 Ų107123.1 Ų123.175%0.74866%0.659SS**G310 helixtrans-73.3-12.5-179-52.80000115.2S225S225-S227 PolarHBondContact O-N 3.08Å
228L53.3Low61.4Low140 Ų140123.2 Ų123.273%0.73368%0.681SS**G310 helixtrans-94.1-1.7-179.4-80.3169.7000114.8S225 H226 K230S225-L228 PolarHBondContact O-N 2.97Å; H226-L228 VanDerWaalsContact C-N 3.32Å; H226-L228 PolarHBondContact O-N 3.36Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 3.17Å
229L51.3Low58.8Low136 Ų136126.5 Ų126.571%0.71269%0.69SS**  trans-91.822.9-180-62.6177.2000113.3E231L229-E231 PolarHBondContact O-N 2.87Å; L229-E231 VanDerWaalsContact O-N 3.13Å
230K43.2Very low56.2Low193 Ų193129.3 Ų129.384%0.83970%0.703SS**SBendtrans-84.688.5174.4-137178.3-172.8-176.90109.1L228 E232L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 3.17Å; K230-E232 PolarHBondContact O-N 3.28Å
231E50.3Low53.7Low157 Ų157131.2 Ų131.273%0.73471%0.709SS**  trans31.785.5152.2-63.3178.2170.500116.2L229 N233L229-E231 PolarHBondContact O-N 2.87Å; L229-E231 VanDerWaalsContact O-N 3.13Å; E231-N233 PolarHBondContact O-N 3.19Å; E231-N233 PolarHBondContact O-ND2 3.39Å
232E44.5Very low51.1Low179 Ų179135.2 Ų135.284%0.83673%0.731SS**  trans-67.790.8151.9-174177176.300107.3K230 V234K230-E232 PolarHBondContact O-N 3.28Å; E232-V234 HydrophobicContact CG-CG2 4.44Å; E232-V234 PolarHBondContact O-N 2.72Å; E232-V234 VanDerWaalsContact O-N 3.1Å
233N40Very low48.6Very low130 Ų130136.9 Ų136.970%0.69574%0.74SS**  trans-68.8102.1167.1-74.1-83.8000106.9E231 D235E231-N233 PolarHBondContact O-N 3.19Å; E231-N233 PolarHBondContact O-ND2 3.39Å; N233-D235 PolarHBondContact O-N 3.35Å; N233-D235 VanDerWaalsContact O-N 3.13Å
234V43.2Very low46.3Very low113 Ų113138 Ų13869%0.68576%0.755SS**  trans-71.2101.5170.5-175.40000107.1E232 V236E232-V234 HydrophobicContact CG-CG2 4.44Å; E232-V234 PolarHBondContact O-N 2.72Å; E232-V234 VanDerWaalsContact O-N 3.1Å; V234-V236 HydrophobicContact CG1-CG2 4.36Å; V234-V236 PolarHBondContact O-N 3.44Å
235D43.6Very low44.6Very low158 Ų158141.4 Ų141.485%0.84576%0.764SS**  trans-76.1117.7173.8-148.6-0000108.5N233N233-D235 PolarHBondContact O-N 3.35Å; N233-D235 VanDerWaalsContact O-N 3.13Å
236V48.2Very low43Very low120 Ų120145.1 Ų145.173%0.72778%0.784SS**  trans-104.297.5179.71780000107V234V234-V236 HydrophobicContact CG1-CG2 4.36Å; V234-V236 PolarHBondContact O-N 3.44Å
237E44.5Very low41.9Very low198 Ų198141.5 Ų141.593%0.92578%0.784SS**  trans-172.1133.7154.5-110.2171.9-156.400111.8
238G34.9Very low41.3Very low79 Ų79142.5 Ų142.581%0.81479%0.788SS**  trans132.466.815900000117.7
239L39.7Very low40.3Very low167 Ų167145 Ų14587%0.87480%0.796SS**  trans-70.5122.9156-120.291.3000109.1
240D39.1Very low39.6Very low132 Ų132145.8 Ų145.871%0.70680%0.8SS**  157139.4121.6-99.3-26.3000115.4
241Q40.2Very low39.4Very low161 Ų161142.5 Ų142.575%0.75280%0.799SS**  trans7998.4150.7-72.7170.937.900123.2
242D36.3Very low38.6Very low149 Ų149141.4 Ų141.480%0.79780%0.803SS**  65.5124.1116.9-85.1-37000125.2
243V35.9Very low38.2Very low121 Ų121138.5 Ų138.573%0.73380%0.798SS**  trans87.4101.4135.8175.60000121.1
244S33.7Very low38.2Very low117 Ų117138.5 Ų138.582%0.81881%0.805SS**  161144.4109.8-78.10000115.9
245Q40.1Very low38Very low179 Ų179138.1 Ų138.184%0.83681%0.807SS**  trans-66.4149.2-173.4-60.3156.910.800116.5
246T30.2Very low38.1Very low142 Ų142139.6 Ų139.687%0.87181%0.809SS**  167.1149107.3320000113.5
247A33Very low38Very low94 Ų94142 Ų14278%0.77781%0.812SS**  trans-82.8-170.9-163.800000115.9
248P42.3Very low38.3Very low128 Ų128138 Ų13883%0.83180%0.804SS**  cis-129.9171.1-935.1-14.3000115.7
249Q32.9Very low39Very low192 Ų192141.5 Ų141.590%0.89781%0.809SS**PPolyproline II helixtrans-87.5133-173.5-62.4178.4-16.400113.1
250N36.1Very low40.2Very low152 Ų152135.2 Ų135.281%0.81379%0.785SS**PPolyproline II helixtrans-84.9146.1157.3-93.4-19.3000109.5T252N250-T252 PolarHBondContact O-N 3.04Å
251P38.7Very low42.2Very low125 Ų125130.9 Ų130.981%0.81277%0.771SS**PPolyproline II helixtrans-72.7117.6-17528.1-32.4000111.5T253P251-T253 PolarHBondContact O-N 3.23Å
252T33.7Very low44.4Very low133 Ų133129.4 Ų129.482%0.81677%0.768SS**PPolyproline II helixtrans-67.7125169.9-22.90000109.5N250N250-T252 PolarHBondContact O-N 3.04Å
253T36.5Very low46.9Very low119 Ų119124.4 Ų124.473%0.7374%0.744SS**  trans-38.7142.7163.936.50000113.4P251 S255P251-T253 PolarHBondContact O-N 3.23Å; T253-S255 PolarHBondContact O-N 3.26Å
254P40.6Very low49.5Very low129 Ų129123 Ų12384%0.83874%0.74SS**  trans-67.7120.3179.528.1-31.7000110.5
255S38Very low52.4Low106 Ų106124 Ų12474%0.74173%0.726SS**  trans17.2110.5143.1-173.30000116.3T253 Q257T253-S255 PolarHBondContact O-N 3.26Å; S255-Q257 PolarHBondContact O-N 3.12Å
256Q46.3Very low54.9Low188 Ų188119.5 Ų119.588%0.87971%0.711SS**  trans-50.7108.2159.5-72.5170-2.500109.1
257Q46.2Very low57.9Low171 Ų171117 Ų11780%0.79969%0.686SS**  trans-60.4131.5161.2-73.7-175.6-28.300107.7S255 T259S255-Q257 PolarHBondContact O-N 3.12Å; Q257-T259 PolarHBondContact O-N 3.47Å
258P49.7Very low60.8Low115 Ų115116 Ų11675%0.74767%0.666SS**  trans-61.5118.1171.324.9-30.6000107.4G260P258-G260 PolarHBondContact O-N 2.85Å
259T50.5Low63.3Low151 Ų151113.3 Ų113.393%0.92665%0.648SS**  trans-69.649.616955.10000110.2Q257Q257-T259 PolarHBondContact O-N 3.47Å
260G63.9Low66.1Low35 Ų35105.8 Ų105.836%0.36161%0.613SS.*PPolyproline II helixtrans-80.4132.4168.900000108P258P258-G260 PolarHBondContact O-N 2.85Å
261G81.3Confident68.8Low41 Ų41101.7 Ų101.742%0.42360%0.595SS.*PPolyproline II helixtrans-54.2163.9172.900000111.6L223L223-G261 WeakPolarHBondContact CA-O 3.3Å; L223-G261 WeakPolarHBondContact CB-O 3.38Å; L223-G261 PolarHBondContact N-O 3.02Å
262L87Confident71.2Confident130 Ų13099.3 Ų99.368%0.68158%0.576SS**EExtended strand (participates in β ladder)trans-91.7143.3170.4-62.4172.6000109.1
263C89.1Confident73.8Confident44 Ų4499.6 Ų99.630%0.29757%0.572SS.*EExtended strand (participates in β ladder)trans-123.5145.9170.4700000110.8M221 L223M221-C263 PolarHBondContact N-O 3.04Å; M221-C263 PolarHBondContact O-N 3.1Å; M221-C263 PolarHBondContact O-SG 2.83Å; L223-C263 HydrophobicContact CD1-CB 3.9Å
264S90.6Very high76.2Confident93 Ų93102 Ų10265%0.6558%0.576SS**EExtended strand (participates in β ladder)trans-79123170.758.70000109.3
265R93Very high78.4Confident136 Ų13696.6 Ų96.651%0.51354%0.542SS..EExtended strand (participates in β ladder)trans-111.6127172.2-170.3166.5-176.7174.62.5109.9S218 V219 M221 Y267S218-R265 WeakPolarHBondContact CA-O 3.26Å; V219-R265 PolarHBondContact N-O 3.13Å; V219-R265 PolarHBondContact O-N 3.3Å; M221-R265 HydrophobicContact CB-CB 4.3Å; M221-R265 HydrophobicContact CG-CB 3.91Å; R265-Y267 HydrophobicContact CB-CE2 4.33Å; R265-Y267 WeakPolarHBondContact CD-OH 3.44Å; R265-Y267 HydrophobicContact CG-CE2 4Å
266T94.3Very high80.8Confident85 Ų8595.5 Ų95.552%0.52152%0.524SS..EExtended strand (participates in β ladder)trans-99.9123.5177.5-52.10000109.7Y216 H217Y216-T266 HydrophobicContact CD1-CG2 4.39Å; H217-T266 CarbonylContact O-C 3.6Å; H217-T266 WeakPolarHBondContact O-CA 2.9Å
267Y93Very high82.8Confident91 Ų9191 Ų9136%0.35750%0.503SS..EExtended strand (participates in β ladder)trans-100.3135.3169.3-62.1-88000109H217 V219 R265H217-Y267 PolarHBondContact N-O 3.45Å; H217-Y267 PolarHBondContact O-N 3.31Å; V219-Y267 HydrophobicContact CG2-CD2 4.5Å; R265-Y267 HydrophobicContact CB-CE2 4.33Å; R265-Y267 WeakPolarHBondContact CD-OH 3.44Å; R265-Y267 HydrophobicContact CG-CE2 4Å
268I93.6Very high84.7Confident71 Ų7186.6 Ų86.636%0.36450%0.495SS..EExtended strand (participates in β ladder)trans-113120.1175.3-52178.1000106.3I214 R215 Y216 F270I214-I268 HydrophobicContact CG2-CG2 3.54Å; R215-I268 WeakPolarHBondContact O-CA 3.37Å; Y216-I268 HydrophobicContact CD1-CD1 4.3Å; Y216-I268 HydrophobicContact CD1-CG1 3.9Å; Y216-I268 HydrophobicContact CE1-CD1 3.81Å; Y216-I268 HydrophobicContact CE1-CG1 3.87Å; Y216-I268 HydrophobicContact CE1-CG2 4.2Å; I268-F270 HydrophobicContact CB-CE2 4.16Å; I268-F270 HydrophobicContact CG2-CD2 4.19Å; I268-F270 HydrophobicContact CG2-CE2 3.42Å; I268-F270 VanDerWaalsContact CG2-CE2 3.42Å; I268-F270 HydrophobicContact CG2-CZ 3.68Å
269T93.4Very high86.4Confident72 Ų7284.2 Ų84.244%0.44248%0.479SS..EExtended strand (participates in β ladder)trans-111.9128.8178.9-52.10000108.9R215R215-T269 PolarHBondContact N-O 3.01Å; R215-T269 PolarHBondContact O-N 2.88Å
270F93Very high87.9Confident35 Ų3582 Ų8215%0.15446%0.456CS..EExtended strand (participates in β ladder)trans-102.8143.2175.9-64.6-98.1000108.7I214 I268 A275 F276 T279 F280I214-F270 HydrophobicContact CB-CE1 4.5Å; I214-F270 HydrophobicContact CD1-CD1 4.14Å; I214-F270 HydrophobicContact CD1-CE1 3.61Å; I214-F270 HydrophobicContact CD1-CZ 4.5Å; I214-F270 HydrophobicContact CG1-CD1 3.75Å; I214-F270 HydrophobicContact CG1-CE1 3.7Å; I214-F270 HydrophobicContact CG2-CD1 4.42Å; I214-F270 HydrophobicContact CG2-CE1 4.05Å; I214-F270 HydrophobicContact CG2-CZ 4.22Å; I268-F270 HydrophobicContact CB-CE2 4.16Å; I268-F270 HydrophobicContact CG2-CD2 4.19Å; I268-F270 HydrophobicContact CG2-CE2 3.42Å; I268-F270 VanDerWaalsContact CG2-CE2 3.42Å; I268-F270 HydrophobicContact CG2-CZ 3.68Å; F270-A275 HydrophobicContact CD1-CB 4.12Å; F270-F276 HydrophobicContact CB-CB 4.25Å; F270-F276 HydrophobicContact CD1-CB 4.21Å; F270-F276 HydrophobicContact CD2-CB 4.16Å; F270-F276 AromaticContact CD2-CD2 3.74Å; F270-F276 HydrophobicContact CD2-CD2 3.74Å; F270-F276 HydrophobicContact CD2-CG 4.45Å; F270-F276 AromaticContact CE2-CD2 3.74Å; F270-F276 HydrophobicContact CE2-CD2 3.74Å; F270-F276 HydrophobicContact CG-CB 3.94Å; F270-F276 HydrophobicContact CG-CD2 4.39Å; F270-F276 HydrophobicContact CZ-CD2 4.37Å; F270-T279 HydrophobicContact CE1-CG2 4.23Å; F270-T279 WeakPolarHBondContact CE1-OG1 3.49Å; F270-T279 HydrophobicContact CZ-CG2 4.09Å; F270-F280 HydrophobicContact CE2-CD2 4.5Å; F270-F280 AromaticContact CE2-CE2 3.96Å; F270-F280 HydrophobicContact CE2-CE2 3.96Å; F270-F280 HydrophobicContact CZ-CD2 4.24Å; F270-F280 AromaticContact CZ-CE2 3.73Å; F270-F280 HydrophobicContact CZ-CE2 3.73Å
271S91.7Very high88.8Confident65 Ų6583.5 Ų83.546%0.45546%0.46SS..SBendtrans-72.7-35.5171.554.10000112.5P212 T213P212-S271 WeakPolarHBondContact CA-OG 3.48Å; T213-S271 PolarHBondContact N-OG 3.22Å; T213-S271 PolarHBondContact O-N 3.14Å; T213-S271 VanDerWaalsContact O-N 3.08Å
272D89.9Confident88.5Confident76 Ų7685.6 Ų85.641%0.40647%0.466SS..SBendtrans-131.5141.1-171.4-50.6-63000110.1P212 E274 A275 F276P212-D272 WeakPolarHBondContact CA-OD2 3.45Å; P212-D272 WeakPolarHBondContact CB-OD2 3.39Å; D272-E274 VanDerWaalsContact C-N 3.29Å; D272-E274 PolarHBondContact O-N 2.94Å; D272-A275 WeakPolarHBondContact O-CB 3.18Å; D272-A275 PolarHBondContact O-N 3.11Å; D272-F276 PolarHBondContact O-N 3.41Å
273D87.4Confident87.4Confident138 Ų13883.7 Ų83.774%0.73847%0.469SS*.Hα-helixtrans-65.9-31.9-179-66-23.5000112A275 F276 E277D273-A275 VanDerWaalsContact C-N 3.28Å; D273-A275 PolarHBondContact O-N 3.04Å; D273-F276 WeakPolarHBondContact O-CB 3.44Å; D273-F276 PolarHBondContact O-N 2.92Å; D273-F276 VanDerWaalsContact O-N 3.11Å; D273-E277 WeakPolarHBondContact O-CG 3.47Å; D273-E277 PolarHBondContact O-N 3.41Å
274E87.8Confident85.8Confident171 Ų17185.5 Ų85.580%0.79949%0.487SS*.Hα-helixtrans-61-37.7175.1-64.5-175.2175.500112.2D272 F276 A278D272-E274 VanDerWaalsContact C-N 3.29Å; D272-E274 PolarHBondContact O-N 2.94Å; E274-F276 VanDerWaalsContact C-N 3.33Å; E274-A278 VanDerWaalsContact O-CB 3.29Å; E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.11Å
275A86.3Confident84.2Confident15 Ų1589.1 Ų89.112%0.12449%0.494CS..Hα-helixtrans-70.2-33.2176.900000111.6P212 F270 D272 D273 T279P212-A275 HydrophobicContact CB-CB 3.84Å; F270-A275 HydrophobicContact CD1-CB 4.12Å; D272-A275 WeakPolarHBondContact O-CB 3.18Å; D272-A275 PolarHBondContact O-N 3.11Å; D273-A275 VanDerWaalsContact C-N 3.28Å; D273-A275 PolarHBondContact O-N 3.04Å; A275-T279 WeakPolarHBondContact O-CB 3.38Å; A275-T279 PolarHBondContact O-N 3.38Å; A275-T279 PolarHBondContact O-OG1 3.43Å
276F88.8Confident82.7Confident83 Ų8386.6 Ų86.636%0.36450%0.502SS..Hα-helixtrans-64.9-52.7173173.2-96.3000111F270 D272 D273 E274 A278 T279 F280F270-F276 HydrophobicContact CB-CB 4.25Å; F270-F276 HydrophobicContact CD1-CB 4.21Å; F270-F276 HydrophobicContact CD2-CB 4.16Å; F270-F276 AromaticContact CD2-CD2 3.74Å; F270-F276 HydrophobicContact CD2-CD2 3.74Å; F270-F276 HydrophobicContact CD2-CG 4.45Å; F270-F276 AromaticContact CE2-CD2 3.74Å; F270-F276 HydrophobicContact CE2-CD2 3.74Å; F270-F276 HydrophobicContact CG-CB 3.94Å; F270-F276 HydrophobicContact CG-CD2 4.39Å; F270-F276 HydrophobicContact CZ-CD2 4.37Å; D272-F276 PolarHBondContact O-N 3.41Å; D273-F276 WeakPolarHBondContact O-CB 3.44Å; D273-F276 PolarHBondContact O-N 2.92Å; D273-F276 VanDerWaalsContact O-N 3.11Å; E274-F276 VanDerWaalsContact C-N 3.33Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 2.93Å; F276-T279 CarbonylContact O-C 3.6Å; F276-T279 PolarHBondContact O-N 3.25Å; F276-F280 AromaticContact CD2-CD2 3.86Å; F276-F280 HydrophobicContact CD2-CD2 3.86Å; F276-F280 HydrophobicContact CD2-CE2 4.41Å; F276-F280 AromaticContact CE2-CD2 3.66Å; F276-F280 HydrophobicContact CE2-CD2 3.66Å; F276-F280 HydrophobicContact CE2-CE2 4.23Å; F276-F280 HydrophobicContact CE2-CG 4.41Å; F276-F280 HydrophobicContact CZ-CB 4.43Å; F276-F280 HydrophobicContact CZ-CD2 4.3Å; F276-F280 PolarHBondContact O-N 2.89Å
277E88.9Confident81.3Confident94 Ų9484.5 Ų84.544%0.43950%0.497SS..Hα-helixtrans-62.8-36.7-179.4-68.9-62.614300112.5D273 T279 F280 P281 P282D273-E277 WeakPolarHBondContact O-CG 3.47Å; D273-E277 PolarHBondContact O-N 3.41Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.17Å; E277-F280 CarbonylContact O-C 3.27Å; E277-F280 VanDerWaalsContact O-C 3.27Å; E277-P281 WeakPolarHBondContact O-CA 3.4Å; E277-P281 VanDerWaalsContact O-N 3.17Å; E277-P282 WeakPolarHBondContact OE2-CD 3.4Å
278A85.4Confident80Confident77 Ų7786 Ų8664%0.63652%0.518SS*.Hα-helixtrans-65.6-33.5173.900000112.7E274 F276E274-A278 VanDerWaalsContact O-CB 3.29Å; E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 3.11Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 2.93Å
279T84.8Confident78.8Confident66 Ų6690.8 Ų90.841%0.40554%0.539SS..Hα-helixtrans-81.9-33.3179.8-52.50000111.8F270 A275 F276 E277F270-T279 HydrophobicContact CE1-CG2 4.23Å; F270-T279 WeakPolarHBondContact CE1-OG1 3.49Å; F270-T279 HydrophobicContact CZ-CG2 4.09Å; A275-T279 WeakPolarHBondContact O-CB 3.38Å; A275-T279 PolarHBondContact O-N 3.38Å; A275-T279 PolarHBondContact O-OG1 3.43Å; F276-T279 CarbonylContact O-C 3.6Å; F276-T279 PolarHBondContact O-N 3.25Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.17Å
280F83Confident77.7Confident104 Ų10494.3 Ų94.346%0.45655%0.554SS.*SBendtrans-125.772.4179-62.2-75.7000111.4F270 F276 E277F270-F280 HydrophobicContact CE2-CD2 4.5Å; F270-F280 AromaticContact CE2-CE2 3.96Å; F270-F280 HydrophobicContact CE2-CE2 3.96Å; F270-F280 HydrophobicContact CZ-CD2 4.24Å; F270-F280 AromaticContact CZ-CE2 3.73Å; F270-F280 HydrophobicContact CZ-CE2 3.73Å; F276-F280 AromaticContact CD2-CD2 3.86Å; F276-F280 HydrophobicContact CD2-CD2 3.86Å; F276-F280 HydrophobicContact CD2-CE2 4.41Å; F276-F280 AromaticContact CE2-CD2 3.66Å; F276-F280 HydrophobicContact CE2-CD2 3.66Å; F276-F280 HydrophobicContact CE2-CE2 4.23Å; F276-F280 HydrophobicContact CE2-CG 4.41Å; F276-F280 HydrophobicContact CZ-CB 4.43Å; F276-F280 HydrophobicContact CZ-CD2 4.3Å; F276-F280 PolarHBondContact O-N 2.89Å; E277-F280 CarbonylContact O-C 3.27Å; E277-F280 VanDerWaalsContact O-C 3.27Å
281P83Confident76.9Confident66 Ų6698 Ų9843%0.42958%0.581SS.*  trans-58.5136.3-178.3-23.633.1000111.5E277 A283 A284E277-P281 WeakPolarHBondContact O-CA 3.4Å; E277-P281 VanDerWaalsContact O-N 3.17Å; P281-A283 PolarHBondContact O-N 2.85Å; P281-A284 WeakPolarHBondContact O-CB 3.33Å; P281-A284 PolarHBondContact O-N 2.74Å
282P74.3Confident76.5Confident86 Ų86101.2 Ų101.256%0.55860%0.598SS**G310 helixtrans-61.5-20.8-177.219.3-29.4000113E277 A284 Q285E277-P282 WeakPolarHBondContact OE2-CD 3.4Å; P282-A284 PolarHBondContact O-N 3.3Å; P282-Q285 WeakPolarHBondContact O-CB 3.24Å; P282-Q285 PolarHBondContact O-N 3.07Å; P282-Q285 VanDerWaalsContact O-N 3.13Å
283A63.2Low76.3Confident90 Ų90104.6 Ų104.674%0.74461%0.611SS**G310 helixtrans-67.6-12.6175.600000114.4P281 Q285P281-A283 PolarHBondContact O-N 2.85Å; A283-Q285 PolarHBondContact O-N 3.17Å
284A56.7Low76.5Confident82 Ų82101.5 Ų101.568%0.67859%0.592SS**G310 helixtrans-76-5.3171.800000113.2P281 P282 A286P281-A284 WeakPolarHBondContact O-CB 3.33Å; P281-A284 PolarHBondContact O-N 2.74Å; P282-A284 PolarHBondContact O-N 3.3Å; A284-A286 VanDerWaalsContact C-N 3.32Å; A284-A286 PolarHBondContact O-N 3.17Å
285Q56.7Low76.9Confident168 Ų16898.5 Ų98.579%0.78558%0.58SS**G310 helixtrans-90.119175.9-62.3-176.9400114.1P282 A283 G287P282-Q285 WeakPolarHBondContact O-CB 3.24Å; P282-Q285 PolarHBondContact O-N 3.07Å; P282-Q285 VanDerWaalsContact O-N 3.13Å; A283-Q285 PolarHBondContact O-N 3.17Å; Q285-G287 PolarHBondContact O-N 3.14Å
286A62.2Low77.3Confident84 Ų8497.8 Ų97.869%0.69458%0.575SS**SBendtrans-67.973.6145.200000106.6A284A284-A286 VanDerWaalsContact C-N 3.32Å; A284-A286 PolarHBondContact O-N 3.17Å
287G63.5Low77.7Confident40 Ų4097.5 Ų97.541%0.41258%0.581SS.*  trans-48.3148.6174.100000108.5Q285 Q289Q285-G287 PolarHBondContact O-N 3.14Å; G287-Q289 PolarHBondContact O-N 2.81Å
288P66.9Low78Confident124 Ų12495.5 Ų95.581%0.80558%0.575SS**  trans-47.1118178.320-31.2000107.1I290P288-I290 PolarHBondContact O-N 3.08Å
289Q67.1Low78.4Confident170 Ų17093.7 Ų93.779%0.79456%0.557SS**  trans-50.5109.5-178.9-73.8-72.8-9.300105.8G287 P291G287-Q289 PolarHBondContact O-N 2.81Å; Q289-P291 WeakPolarHBondContact O-CD 3.39Å
290I70.7Confident78.8Confident146 Ų14697.8 Ų97.875%0.74957%0.571SS**  trans-56.2123.2-177.1-61.2170.9000104.3P288 V292P288-I290 PolarHBondContact O-N 3.08Å; I290-V292 PolarHBondContact O-N 3.01Å
291P76.8Confident79.3Confident112 Ų11299.2 Ų99.273%0.72758%0.577SS**  trans-52.4116.3-177.3-24.731.7000108Q289 Q293Q289-P291 WeakPolarHBondContact O-CD 3.39Å; P291-Q293 PolarHBondContact O-N 3.22Å
292V82.3Confident79.9Confident134 Ų13498.3 Ų98.381%0.81257%0.574SS**  trans-61.8111.5-178.3177.90000106.8I290 E294I290-V292 PolarHBondContact O-N 3.01Å; V292-E294 PolarHBondContact O-N 2.92Å; V292-E294 VanDerWaalsContact O-N 3.17Å
293Q86.1Confident80.9Confident147 Ų14795.2 Ų95.269%0.68756%0.556SS**  trans-68.1114.1175.3-74-175.1-4.600108.5P291 A302P291-Q293 PolarHBondContact O-N 3.22Å; Q293-A302 HydrophobicContact CB-CB 4.4Å
294E92.3Very high82.3Confident72 Ų7297 Ų9734%0.33655%0.552SS.*PPolyproline II helixtrans-65.3147.2175.8-59.6-171143.100110.2V292 A303 R306 P313V292-E294 PolarHBondContact O-N 2.92Å; V292-E294 VanDerWaalsContact O-N 3.17Å; E294-A303 VanDerWaalsContact O-CB 3.28Å; E294-A303 WeakPolarHBondContact O-CB 3.3Å; E294-A303 PolarHBondContact O-N 3.28Å; E294-R306 IonicContact OE1-CZ 3.6Å; E294-R306 IonicContact OE1-NE 3.19Å; E294-R306 IonicContact OE1-NH2 3.4Å; E294-R306 PolarHBondContact OE1-NH2 2.87Å; E294-R306 IonicContact OE2-CZ 2.97Å; E294-R306 IonicContact OE2-NE 3.77Å; E294-R306 PolarHBondContact OE2-NE 3.48Å; E294-R306 IonicContact OE2-NH2 3.94Å; E294-R306 PolarHBondContact OE2-NH2 3.19Å; E294-P313 HydrophobicContact CB-CB 3.8Å; E294-P313 HydrophobicContact CB-CG 3.88Å; E294-P313 WeakPolarHBondContact OE2-CB 3.48Å
295I95.8Very high84.1Confident108 Ų10899.9 Ų99.955%0.55455%0.547SS*.BIsolated β-bridgetrans-99134.5-178.9-61.5170.4000109P297I295-P297 WeakPolarHBondContact O-CD 3.45Å
296C96Very high86Confident0 Ų096.7 Ų96.70%053%0.528CS..PPolyproline II helixtrans-67.7124.4175.91760000111.3V298 T299 H300 K301 P313 A315C296-V298 PolarHBondContact O-N 2.8Å; C296-T299 WeakPolarHBondContact CB-OG1 3.3Å; C296-T299 PolarHBondContact O-N 3.39Å; C296-T299 PolarHBondContact SG-OG1 2.85Å; C296-H300 VanDerWaalsContact O-CA 3.29Å; C296-H300 WeakPolarHBondContact O-CA 3.38Å; C296-H300 PolarHBondContact O-N 2.75Å; C296-K301 WeakPolarHBondContact CB-O 3.49Å; C296-K301 PolarHBondContact N-O 2.87Å; C296-P313 WeakPolarHBondContact CA-O 3.49Å; C296-A315 HydrophobicContact CB-CB 4.01Å
297P95.6Very high87.5Confident78 Ų7892.7 Ų92.751%0.50650%0.495SS..THydrogen-bonded Turntrans-65.4-22.3-179.2-24.335000115.2I295 I312 P313I295-P297 WeakPolarHBondContact O-CD 3.45Å; P297-I312 HydrophobicContact CG-CG2 3.75Å; P297-P313 WeakPolarHBondContact CD-O 3.34Å
298V95.3Very high89Confident52 Ų5296.3 Ų96.332%0.31551%0.511SS..THydrogen-bonded Turntrans-89.1-34.6-177.7-1800000111.9C296 A319 I322 I323C296-V298 PolarHBondContact O-N 2.8Å; V298-A319 HydrophobicContact CB-CB 4.03Å; V298-A319 HydrophobicContact CG1-CB 4.3Å; V298-I322 HydrophobicContact CG1-CB 4.2Å; V298-I322 HydrophobicContact CG1-CD1 3.62Å; V298-I322 HydrophobicContact CG1-CG2 4.01Å; V298-I322 HydrophobicContact CG2-CB 4.38Å; V298-I322 HydrophobicContact CG2-CG2 3.98Å; V298-I323 HydrophobicContact CG2-CD1 4.25Å; V298-I323 HydrophobicContact CG2-CG1 3.79Å
299T94.4Very high90.3Very high39 Ų3993.9 Ų93.924%0.23949%0.493CS..THydrogen-bonded Turntrans-117.7-8.2-170.6600000114C296 K301 N316 A319C296-T299 WeakPolarHBondContact CB-OG1 3.3Å; C296-T299 PolarHBondContact O-N 3.39Å; C296-T299 PolarHBondContact SG-OG1 2.85Å; T299-K301 PolarHBondContact O-N 3.24Å; T299-N316 WeakPolarHBondContact CG2-OD1 3.28Å; T299-A319 HydrophobicContact CG2-CB 4.01Å
300H94Very high91.5Very high152 Ų15287 Ų8770%0.70446%0.463SS*.  trans55.817.4-177.2-59.4-91.4000114.7C296C296-H300 VanDerWaalsContact O-CA 3.29Å; C296-H300 WeakPolarHBondContact O-CA 3.38Å; C296-H300 PolarHBondContact O-N 2.75Å
301K93.8Very high92.6Very high134 Ų13484.7 Ų84.758%0.58345%0.452SS*.SBendtrans-95.4159174.3-65.6-178.7-179.5-170.80110.4C296 T299 A303 A315C296-K301 WeakPolarHBondContact CB-O 3.49Å; C296-K301 PolarHBondContact N-O 2.87Å; T299-K301 PolarHBondContact O-N 3.24Å; K301-A303 PolarHBondContact O-N 3.47Å; K301-A315 HydrophobicContact CB-CB 3.97Å
302A94.8Very high93.5Very high46 Ų4682.2 Ų82.238%0.3843%0.433SS..BIsolated β-bridgetrans-53.3127170.100000110Q293 A315Q293-A302 HydrophobicContact CB-CB 4.4Å; A302-A315 WeakPolarHBondContact O-CB 3.42Å
303A94.1Very high94.1Very high21 Ų2176.7 Ų76.717%0.17440%0.399CS..PPolyproline II helixtrans-80130.7-179.300000110.2E294 K301 P313E294-A303 VanDerWaalsContact O-CB 3.28Å; E294-A303 WeakPolarHBondContact O-CB 3.3Å; E294-A303 PolarHBondContact O-N 3.28Å; K301-A303 PolarHBondContact O-N 3.47Å; A303-P313 HydrophobicContact CB-CB 3.44Å; A303-P313 VanDerWaalsContact CB-CB 3.44Å
304L94Very high94.6Very high127 Ų12771.6 Ų71.667%0.66537%0.374SS*.SBendtrans-92.2-21.3177-66.2171.6000111.5Y314L304-Y314 PolarHBondContact N-O 2.82Å; L304-Y314 VanDerWaalsContact N-O 3.12Å
305Y94.4Very high94.9Very high144 Ų14468.8 Ų68.857%0.56536%0.363SS*.EExtended strand (participates in β ladder)trans-143.5161.4-171.4-52-75.8000111.4P313 Y314Y305-P313 CarbonylContact O-C 3.57Å; Y305-P313 WeakPolarHBondContact O-CA 3.35Å; Y305-Y314 VanDerWaalsContact CB-CZ 3.41Å; Y305-Y314 AromaticContact CD2-CE2 3.98Å; Y305-Y314 HydrophobicContact CD2-CE2 3.98Å; Y305-Y314 HydrophobicContact CG-CE2 4.23Å; Y305-Y314 PolarHBondContact N-O 3.41Å; Y305-Y314 VanDerWaalsContact N-O 3.17Å; Y305-Y314 PolarHBondContact O-N 3.43Å
306R95.9Very high94.8Very high101 Ų10166.6 Ų66.638%0.38135%0.353SS..EExtended strand (participates in β ladder)trans-117.6144.9168.6-96.4-174.8171.4-142-4.8110.8E294 D311 P313E294-R306 IonicContact OE1-CZ 3.6Å; E294-R306 IonicContact OE1-NE 3.19Å; E294-R306 IonicContact OE1-NH2 3.4Å; E294-R306 PolarHBondContact OE1-NH2 2.87Å; E294-R306 IonicContact OE2-CZ 2.97Å; E294-R306 IonicContact OE2-NE 3.77Å; E294-R306 PolarHBondContact OE2-NE 3.48Å; E294-R306 IonicContact OE2-NH2 3.94Å; E294-R306 PolarHBondContact OE2-NH2 3.19Å; R306-D311 IonicContact CZ-OD1 2.67Å; R306-D311 IonicContact CZ-OD2 2.66Å; R306-D311 IonicContact NE-OD1 3.74Å; R306-D311 IonicContact NH1-OD1 2.78Å; R306-D311 PolarHBondContact NH1-OD1 2.89Å; R306-D311 IonicContact NH1-OD2 3.62Å; R306-D311 PolarHBondContact NH1-OD2 3.3Å; R306-P313 HydrophobicContact CG-CB 4.24Å
307D94.8Very high94.8Very high0 Ų069.9 Ų69.90%038%0.38CS..  trans-82.1122175.8174.317.9000110.6V309 T310 D311 I312 Y314 F320 R324D307-V309 PolarHBondContact O-N 3.07Å; D307-V309 VanDerWaalsContact O-N 3.07Å; D307-V309 PolarHBondContact OD1-N 3.34Å; D307-T310 WeakPolarHBondContact CB-OG1 3.45Å; D307-T310 VanDerWaalsContact CG-OG1 3.27Å; D307-T310 PolarHBondContact O-N 2.93Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.32Å; D307-T310 PolarHBondContact OD2-OG1 2.92Å; D307-D311 VanDerWaalsContact O-CA 3.22Å; D307-D311 WeakPolarHBondContact O-CA 3.46Å; D307-D311 PolarHBondContact O-N 3.23Å; D307-I312 PolarHBondContact N-O 3.46Å; D307-I312 VanDerWaalsContact N-O 3.12Å; D307-Y314 HydrophobicContact CB-CD1 4.3Å; D307-Y314 HydrophobicContact CB-CE1 4.21Å; D307-F320 HydrophobicContact CB-CD2 4.25Å; D307-F320 HydrophobicContact CB-CE2 4.07Å; D307-F320 WeakPolarHBondContact OD1-CE2 3.34Å; D307-R324 VanDerWaalsContact CG-NE 3.3Å; D307-R324 IonicContact OD1-CZ 3.73Å; D307-R324 IonicContact OD1-NE 2.86Å; D307-R324 PolarHBondContact OD1-NE 2.96Å; D307-R324 IonicContact OD1-NH2 3.94Å; D307-R324 PolarHBondContact OD1-NH2 2.83Å; D307-R324 WeakPolarHBondContact OD2-CD 3.43Å; D307-R324 IonicContact OD2-CZ 2.7Å; D307-R324 IonicContact OD2-NE 2.69Å; D307-R324 PolarHBondContact OD2-NE 2.84Å; D307-R324 IonicContact OD2-NH2 3.22Å
308P95Very high94.9Very high116 Ų11675.4 Ų75.475%0.75339%0.39SS*.THydrogen-bonded Turntrans-64.3-15.4-174.324.8-36.8000115.8
309V92.7Very high94.9Very high72 Ų7273 Ų7344%0.43638%0.376SS..THydrogen-bonded Turntrans-101.1-37.7-179.5172.90000112.5D307 R324 Y327D307-V309 PolarHBondContact O-N 3.07Å; D307-V309 VanDerWaalsContact O-N 3.07Å; D307-V309 PolarHBondContact OD1-N 3.34Å; V309-R324 VanDerWaalsContact CB-CZ 3.44Å; V309-R324 VanDerWaalsContact CB-NH2 3.33Å; V309-Y327 HydrophobicContact CG1-CD1 4.3Å; V309-Y327 HydrophobicContact CG1-CE1 3.61Å
310T93.2Very high95Very high27 Ų2774.2 Ų74.217%0.16638%0.378CS..THydrogen-bonded Turntrans-97.5-14.6-178.962.10000113.1D307 I312 I323 Y327D307-T310 WeakPolarHBondContact CB-OG1 3.45Å; D307-T310 VanDerWaalsContact CG-OG1 3.27Å; D307-T310 PolarHBondContact O-N 2.93Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.32Å; D307-T310 PolarHBondContact OD2-OG1 2.92Å; T310-I312 PolarHBondContact O-N 3.4Å; T310-I312 VanDerWaalsContact O-N 3.17Å; T310-I323 HydrophobicContact CG2-CG2 4.17Å; T310-I323 WeakPolarHBondContact OG1-CG2 3.49Å; T310-Y327 HydrophobicContact CG2-CD1 4.17Å; T310-Y327 HydrophobicContact CG2-CD2 3.56Å; T310-Y327 HydrophobicContact CG2-CE2 4.18Å; T310-Y327 HydrophobicContact CG2-CG 3.53Å
311D93.6Very high95.2Very high97 Ų9776.1 Ų76.152%0.51938%0.379SS..  trans57.420.9-173.6-157.634.4000113.7R306 D307R306-D311 IonicContact CZ-OD1 2.67Å; R306-D311 IonicContact CZ-OD2 2.66Å; R306-D311 IonicContact NE-OD1 3.74Å; R306-D311 IonicContact NH1-OD1 2.78Å; R306-D311 PolarHBondContact NH1-OD1 2.89Å; R306-D311 IonicContact NH1-OD2 3.62Å; R306-D311 PolarHBondContact NH1-OD2 3.3Å; D307-D311 VanDerWaalsContact O-CA 3.22Å; D307-D311 WeakPolarHBondContact O-CA 3.46Å; D307-D311 PolarHBondContact O-N 3.23Å
312I95.1Very high95.3Very high60 Ų6072.8 Ų72.831%0.30837%0.367SS..  trans-90129.3-178.7-63.7170.8000109.9P297 D307 T310 I323P297-I312 HydrophobicContact CG-CG2 3.75Å; D307-I312 PolarHBondContact N-O 3.46Å; D307-I312 VanDerWaalsContact N-O 3.12Å; T310-I312 PolarHBondContact O-N 3.4Å; T310-I312 VanDerWaalsContact O-N 3.17Å; I312-I323 HydrophobicContact CB-CD1 4.45Å; I312-I323 HydrophobicContact CB-CG2 4.2Å; I312-I323 HydrophobicContact CD1-CG2 4Å; I312-I323 HydrophobicContact CG2-CD1 3.8Å; I312-I323 HydrophobicContact CG2-CG1 4.28Å; I312-I323 HydrophobicContact CG2-CG2 4.47Å
313P96.6Very high95.3Very high18 Ų1871.1 Ų71.112%0.11735%0.352CS..EExtended strand (participates in β ladder)trans-69137.5175.125.4-32.4000112.5E294 C296 P297 A303 Y305 R306E294-P313 HydrophobicContact CB-CB 3.8Å; E294-P313 HydrophobicContact CB-CG 3.88Å; E294-P313 WeakPolarHBondContact OE2-CB 3.48Å; C296-P313 WeakPolarHBondContact CA-O 3.49Å; P297-P313 WeakPolarHBondContact CD-O 3.34Å; A303-P313 HydrophobicContact CB-CB 3.44Å; A303-P313 VanDerWaalsContact CB-CB 3.44Å; Y305-P313 CarbonylContact O-C 3.57Å; Y305-P313 WeakPolarHBondContact O-CA 3.35Å; R306-P313 HydrophobicContact CG-CB 4.24Å
314Y96.5Very high95.4Very high39 Ų3973.2 Ų73.215%0.15336%0.355CS..EExtended strand (participates in β ladder)trans-139.1149.4178.271.1-88.7000113.6L304 Y305 D307 F320L304-Y314 PolarHBondContact N-O 2.82Å; L304-Y314 VanDerWaalsContact N-O 3.12Å; Y305-Y314 VanDerWaalsContact CB-CZ 3.41Å; Y305-Y314 AromaticContact CD2-CE2 3.98Å; Y305-Y314 HydrophobicContact CD2-CE2 3.98Å; Y305-Y314 HydrophobicContact CG-CE2 4.23Å; Y305-Y314 PolarHBondContact N-O 3.41Å; Y305-Y314 VanDerWaalsContact N-O 3.17Å; Y305-Y314 PolarHBondContact O-N 3.43Å; D307-Y314 HydrophobicContact CB-CD1 4.3Å; D307-Y314 HydrophobicContact CB-CE1 4.21Å; Y314-F320 HydrophobicContact CD1-CD2 4.15Å; Y314-F320 HydrophobicContact CD2-CB 3.86Å; Y314-F320 AromaticContact CE1-CD2 3.68Å; Y314-F320 HydrophobicContact CE1-CD2 3.68Å; Y314-F320 HydrophobicContact CE1-CE2 4.39Å; Y314-F320 HydrophobicContact CE2-CB 3.83Å; Y314-F320 HydrophobicContact CE2-CD2 4.28Å; Y314-F320 HydrophobicContact CE2-CG 4.36Å; Y314-F320 HydrophobicContact CG-CB 4.24Å; Y314-F320 AromaticContact CZ-CD2 3.76Å
315A96.7Very high95.5Very high13 Ų1372 Ų7211%0.10735%0.346CS..SBendtrans-94.2-28.8-175.700000113.7C296 K301 A302C296-A315 HydrophobicContact CB-CB 4.01Å; K301-A315 HydrophobicContact CB-CB 3.97Å; A302-A315 WeakPolarHBondContact O-CB 3.42Å
316N95.3Very high95.5Very high63 Ų6367.9 Ų67.934%0.33734%0.342SS..SBendtrans-157.7158.9-167.838-7.9000111.8T299 R318 A319 F320T299-N316 WeakPolarHBondContact CG2-OD1 3.28Å; N316-R318 VanDerWaalsContact C-N 3.26Å; N316-R318 PolarHBondContact O-N 3.4Å; N316-R318 VanDerWaalsContact O-N 3.16Å; N316-A319 WeakPolarHBondContact O-CB 3.31Å; N316-A319 PolarHBondContact O-N 2.9Å; N316-F320 PolarHBondContact O-N 3.43Å
317A95.8Very high95.4Very high68 Ų6865.8 Ų65.856%0.56233%0.334SS*.Hα-helixtrans-58.9-31.7-171.700000114.4F320 R321A317-F320 WeakPolarHBondContact O-CB 3.44Å; A317-F320 PolarHBondContact O-N 3.21Å; A317-R321 PolarHBondContact O-N 2.93Å; A317-R321 VanDerWaalsContact O-N 3.15Å
318R96.2Very high95.4Very high194 Ų19474.8 Ų74.873%0.73237%0.368SS*.Hα-helixtrans-62.4-42.9174-174.3-176.4176.4-162.3-0.7111.5N316 R321 I322N316-R318 VanDerWaalsContact C-N 3.26Å; N316-R318 PolarHBondContact O-N 3.4Å; N316-R318 VanDerWaalsContact O-N 3.16Å; R318-R321 PolarHBondContact O-N 3.44Å; R318-I322 HydrophobicContact CG-CD1 4.04Å; R318-I322 WeakPolarHBondContact O-CG1 3.36Å; R318-I322 PolarHBondContact O-N 3.37Å; R318-I322 VanDerWaalsContact O-N 3.15Å
319A96.5Very high95.3Very high1 Ų175.4 Ų75.41%0.00836%0.359CS..Hα-helixtrans-63.8-41.7177.700000111.4V298 T299 N316 R321 I322 I323V298-A319 HydrophobicContact CB-CB 4.03Å; V298-A319 HydrophobicContact CG1-CB 4.3Å; T299-A319 HydrophobicContact CG2-CB 4.01Å; N316-A319 WeakPolarHBondContact O-CB 3.31Å; N316-A319 PolarHBondContact O-N 2.9Å; A319-R321 PolarHBondContact O-N 3.03Å; A319-I322 PolarHBondContact O-N 3.1Å; A319-I323 WeakPolarHBondContact O-CB 3.34Å; A319-I323 WeakPolarHBondContact O-CD1 3.27Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.46Å; A319-I323 PolarHBondContact O-N 3.32Å
320F96.6Very high95.2Very high66 Ų6677.9 Ų77.929%0.28936%0.361SS..Hα-helixtrans-57.3-45.1174.9177.8-102.3000112.8D307 Y314 N316 A317 I323 R324D307-F320 HydrophobicContact CB-CD2 4.25Å; D307-F320 HydrophobicContact CB-CE2 4.07Å; D307-F320 WeakPolarHBondContact OD1-CE2 3.34Å; Y314-F320 HydrophobicContact CD1-CD2 4.15Å; Y314-F320 HydrophobicContact CD2-CB 3.86Å; Y314-F320 AromaticContact CE1-CD2 3.68Å; Y314-F320 HydrophobicContact CE1-CD2 3.68Å; Y314-F320 HydrophobicContact CE1-CE2 4.39Å; Y314-F320 HydrophobicContact CE2-CB 3.83Å; Y314-F320 HydrophobicContact CE2-CD2 4.28Å; Y314-F320 HydrophobicContact CE2-CG 4.36Å; Y314-F320 HydrophobicContact CG-CB 4.24Å; Y314-F320 AromaticContact CZ-CD2 3.76Å; N316-F320 PolarHBondContact O-N 3.43Å; A317-F320 WeakPolarHBondContact O-CB 3.44Å; A317-F320 PolarHBondContact O-N 3.21Å; F320-I323 PolarHBondContact O-N 2.84Å; F320-R324 HydrophobicContact CE1-CG 4.21Å; F320-R324 HydrophobicContact CE2-CG 4.11Å; F320-R324 HydrophobicContact CZ-CG 3.92Å; F320-R324 PolarHBondContact O-N 3.44Å
321R96.8Very high95.2Very high191 Ų19177.4 Ų77.472%0.72136%0.358SS*.Hα-helixtrans-61.8-44.9177.2-69.4178.8-174.7174.11.6111.8A317 R318 A319 R324 E325A317-R321 PolarHBondContact O-N 2.93Å; A317-R321 VanDerWaalsContact O-N 3.15Å; R318-R321 PolarHBondContact O-N 3.44Å; A319-R321 PolarHBondContact O-N 3.03Å; R321-R324 PolarHBondContact O-N 3.46Å; R321-E325 WeakPolarHBondContact O-CB 3.38Å; R321-E325 PolarHBondContact O-N 2.91Å
322I96.3Very high95Very high65 Ų6577 Ų7733%0.33337%0.369SS..Hα-helixtrans-62.1-44.8178.5-67.1165.3000110.5V298 R318 A319 R324 E325 A326V298-I322 HydrophobicContact CG1-CB 4.2Å; V298-I322 HydrophobicContact CG1-CD1 3.62Å; V298-I322 HydrophobicContact CG1-CG2 4.01Å; V298-I322 HydrophobicContact CG2-CB 4.38Å; V298-I322 HydrophobicContact CG2-CG2 3.98Å; R318-I322 HydrophobicContact CG-CD1 4.04Å; R318-I322 WeakPolarHBondContact O-CG1 3.36Å; R318-I322 PolarHBondContact O-N 3.37Å; R318-I322 VanDerWaalsContact O-N 3.15Å; A319-I322 PolarHBondContact O-N 3.1Å; I322-R324 PolarHBondContact O-N 3.12Å; I322-E325 PolarHBondContact O-N 3.22Å; I322-A326 WeakPolarHBondContact O-CB 3.24Å; I322-A326 PolarHBondContact O-N 2.92Å
323I95.4Very high94.7Very high11 Ų1177.7 Ų77.76%0.05638%0.383CS..Hα-helixtrans-59.9-47.1177.2-70.4162.2000110.9V298 T310 I312 A319 F320 A326 Y327V298-I323 HydrophobicContact CG2-CD1 4.25Å; V298-I323 HydrophobicContact CG2-CG1 3.79Å; T310-I323 HydrophobicContact CG2-CG2 4.17Å; T310-I323 WeakPolarHBondContact OG1-CG2 3.49Å; I312-I323 HydrophobicContact CB-CD1 4.45Å; I312-I323 HydrophobicContact CB-CG2 4.2Å; I312-I323 HydrophobicContact CD1-CG2 4Å; I312-I323 HydrophobicContact CG2-CD1 3.8Å; I312-I323 HydrophobicContact CG2-CG1 4.28Å; I312-I323 HydrophobicContact CG2-CG2 4.47Å; A319-I323 WeakPolarHBondContact O-CB 3.34Å; A319-I323 WeakPolarHBondContact O-CD1 3.27Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.46Å; A319-I323 PolarHBondContact O-N 3.32Å; F320-I323 PolarHBondContact O-N 2.84Å; I323-A326 PolarHBondContact O-N 3.36Å; I323-Y327 WeakPolarHBondContact O-CB 3.31Å; I323-Y327 PolarHBondContact O-N 3.08Å
324R95.4Very high94.1Very high65 Ų6583.4 Ų83.425%0.24541%0.408CS..Hα-helixtrans-69.4-35179.6-77.1-66.4-171.5132.59113.6D307 V309 F320 R321 I322 Y327 R328D307-R324 VanDerWaalsContact CG-NE 3.3Å; D307-R324 IonicContact OD1-CZ 3.73Å; D307-R324 IonicContact OD1-NE 2.86Å; D307-R324 PolarHBondContact OD1-NE 2.96Å; D307-R324 IonicContact OD1-NH2 3.94Å; D307-R324 PolarHBondContact OD1-NH2 2.83Å; D307-R324 WeakPolarHBondContact OD2-CD 3.43Å; D307-R324 IonicContact OD2-CZ 2.7Å; D307-R324 IonicContact OD2-NE 2.69Å; D307-R324 PolarHBondContact OD2-NE 2.84Å; D307-R324 IonicContact OD2-NH2 3.22Å; V309-R324 VanDerWaalsContact CB-CZ 3.44Å; V309-R324 VanDerWaalsContact CB-NH2 3.33Å; F320-R324 HydrophobicContact CE1-CG 4.21Å; F320-R324 HydrophobicContact CE2-CG 4.11Å; F320-R324 HydrophobicContact CZ-CG 3.92Å; F320-R324 PolarHBondContact O-N 3.44Å; R321-R324 PolarHBondContact O-N 3.46Å; I322-R324 PolarHBondContact O-N 3.12Å; R324-Y327 PolarHBondContact O-N 3.31Å; R324-R328 VanDerWaalsContact O-CG 3.32Å; R324-R328 WeakPolarHBondContact O-CG 3.41Å; R324-R328 PolarHBondContact O-N 2.99Å
325E95.8Very high93.2Very high102 Ų10283.3 Ų83.348%0.47742%0.419SS..Hα-helixtrans-66.9-45.4174.6-168.6-169.8152.900111R321 I322 Y327 R328 K329R321-E325 WeakPolarHBondContact O-CB 3.38Å; R321-E325 PolarHBondContact O-N 2.91Å; I322-E325 PolarHBondContact O-N 3.22Å; E325-Y327 VanDerWaalsContact C-N 3.32Å; E325-Y327 PolarHBondContact O-N 3.11Å; E325-R328 PolarHBondContact O-N 3.12Å; E325-K329 WeakPolarHBondContact O-CG 3.23Å; E325-K329 PolarHBondContact O-N 2.97Å; E325-K329 VanDerWaalsContact OE1-CE 3.27Å; E325-K329 WeakPolarHBondContact OE1-CE 3.49Å; E325-K329 IonicContact OE1-NZ 2.77Å; E325-K329 PolarHBondContact OE1-NZ 3.24Å
326A94.9Very high91.9Very high57 Ų5790.6 Ų90.647%0.47145%0.448SS..Hα-helixtrans-60.4-42.5174.700000111.5I322 I323 K329 Y330I322-A326 WeakPolarHBondContact O-CB 3.24Å; I322-A326 PolarHBondContact O-N 2.92Å; I323-A326 PolarHBondContact O-N 3.36Å; A326-K329 PolarHBondContact O-N 3.46Å; A326-Y330 WeakPolarHBondContact O-CB 3.43Å; A326-Y330 PolarHBondContact O-N 3.46Å
327Y94Very high90.4Very high57 Ų5791.4 Ų91.422%0.22446%0.457CS..Hα-helixtrans-62.1-42.8175.7-179.1-105.7000112.6V309 T310 I323 R324 E325 K329 Y330 V331V309-Y327 HydrophobicContact CG1-CD1 4.3Å; V309-Y327 HydrophobicContact CG1-CE1 3.61Å; T310-Y327 HydrophobicContact CG2-CD1 4.17Å; T310-Y327 HydrophobicContact CG2-CD2 3.56Å; T310-Y327 HydrophobicContact CG2-CE2 4.18Å; T310-Y327 HydrophobicContact CG2-CG 3.53Å; I323-Y327 WeakPolarHBondContact O-CB 3.31Å; I323-Y327 PolarHBondContact O-N 3.08Å; R324-Y327 PolarHBondContact O-N 3.31Å; E325-Y327 VanDerWaalsContact C-N 3.32Å; E325-Y327 PolarHBondContact O-N 3.11Å; Y327-K329 PolarHBondContact O-N 3.29Å; Y327-Y330 WeakPolarHBondContact O-CB 3.43Å; Y327-Y330 PolarHBondContact O-N 2.89Å; Y327-V331 HydrophobicContact CD1-CG2 4.2Å; Y327-V331 HydrophobicContact CD2-CG2 4.29Å; Y327-V331 HydrophobicContact CE1-CG2 3.78Å; Y327-V331 HydrophobicContact CE2-CG2 3.9Å; Y327-V331 HydrophobicContact CG-CG2 4.45Å; Y327-V331 WeakPolarHBondContact O-CG2 3.43Å; Y327-V331 PolarHBondContact O-N 2.87Å
328R94.4Very high88Confident189 Ų18992.6 Ų92.671%0.71346%0.461SS*.Hα-helixtrans-61.2-43.3175.2-73.3174.5-171.3-163.62.1112R324 E325 Y330 V331 A332R324-R328 VanDerWaalsContact O-CG 3.32Å; R324-R328 WeakPolarHBondContact O-CG 3.41Å; R324-R328 PolarHBondContact O-N 2.99Å; E325-R328 PolarHBondContact O-N 3.12Å; R328-Y330 VanDerWaalsContact C-N 3.33Å; R328-V331 PolarHBondContact O-N 2.98Å; R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 3.27Å
329K93.3Very high85.8Confident128 Ų12889 Ų8956%0.55747%0.465SS*.Hα-helixtrans-63.2-41.1175.7-70.3176.7-174.7169.70111.3E325 A326 Y327 A332 A333E325-K329 WeakPolarHBondContact O-CG 3.23Å; E325-K329 PolarHBondContact O-N 2.97Å; E325-K329 VanDerWaalsContact OE1-CE 3.27Å; E325-K329 WeakPolarHBondContact OE1-CE 3.49Å; E325-K329 IonicContact OE1-NZ 2.77Å; E325-K329 PolarHBondContact OE1-NZ 3.24Å; A326-K329 PolarHBondContact O-N 3.46Å; Y327-K329 PolarHBondContact O-N 3.29Å; K329-A332 PolarHBondContact O-N 2.88Å; K329-A333 WeakPolarHBondContact O-CB 3.35Å; K329-A333 PolarHBondContact O-N 3.45Å; K329-A333 VanDerWaalsContact O-N 3.1Å
330Y90.8Very high83.1Confident124 Ų12493.8 Ų93.849%0.48650%0.499SS..Hα-helixtrans-62.1-49.6176.7-179.5-97000111.9A326 Y327 R328 A332 A333 H334A326-Y330 WeakPolarHBondContact O-CB 3.43Å; A326-Y330 PolarHBondContact O-N 3.46Å; Y327-Y330 WeakPolarHBondContact O-CB 3.43Å; Y327-Y330 PolarHBondContact O-N 2.89Å; R328-Y330 VanDerWaalsContact C-N 3.33Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 3.29Å; Y330-A333 PolarHBondContact O-N 2.9Å; Y330-H334 AromaticContact CD2-ND1 3.74Å; Y330-H334 HydrophobicContact CE1-CB 4.4Å; Y330-H334 HydrophobicContact CE2-CB 4.37Å; Y330-H334 AromaticContact CE2-CG 3.91Å; Y330-H334 AromaticContact CE2-ND1 3.82Å; Y330-H334 WeakPolarHBondContact O-CB 3.42Å; Y330-H334 PolarHBondContact O-N 3.47Å; Y330-H334 PolarHBondContact O-ND1 3.23Å
331V92.6Very high80.5Confident18 Ų1895.5 Ų95.511%0.10953%0.526CS..Hα-helixtrans-62.9-38.7177.5171.60000111.8Y327 R328 A333 G335 F336Y327-V331 HydrophobicContact CD1-CG2 4.2Å; Y327-V331 HydrophobicContact CD2-CG2 4.29Å; Y327-V331 HydrophobicContact CE1-CG2 3.78Å; Y327-V331 HydrophobicContact CE2-CG2 3.9Å; Y327-V331 HydrophobicContact CG-CG2 4.45Å; Y327-V331 WeakPolarHBondContact O-CG2 3.43Å; Y327-V331 PolarHBondContact O-N 2.87Å; R328-V331 PolarHBondContact O-N 2.98Å; V331-A333 VanDerWaalsContact C-N 3.28Å; V331-A333 PolarHBondContact O-N 3.49Å; V331-G335 CarbonylContact O-C 3.5Å; V331-G335 WeakPolarHBondContact O-CA 3.38Å; V331-G335 PolarHBondContact O-N 3.29Å; V331-F336 HydrophobicContact CG1-CD1 3.78Å; V331-F336 HydrophobicContact CG1-CD2 3.91Å; V331-F336 HydrophobicContact CG1-CE1 3.79Å; V331-F336 HydrophobicContact CG1-CE2 3.92Å; V331-F336 HydrophobicContact CG1-CG 3.85Å; V331-F336 HydrophobicContact CG1-CZ 3.86Å; V331-F336 HydrophobicContact CG2-CD1 4.48Å
332A90.5Very high77.9Confident89 Ų8991 Ų9174%0.73653%0.53SS*.Hα-helixtrans-65-32.6176.400000112.7R328 K329 Y330R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 3.27Å; K329-A332 PolarHBondContact O-N 2.88Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 3.29Å
333A89.3Confident75.2Confident74 Ų7493.5 Ų93.561%0.61255%0.552SS**Hα-helixtrans-88.9-32.1-178.900000114K329 Y330 V331K329-A333 WeakPolarHBondContact O-CB 3.35Å; K329-A333 PolarHBondContact O-N 3.45Å; K329-A333 VanDerWaalsContact O-N 3.1Å; Y330-A333 PolarHBondContact O-N 2.9Å; V331-A333 VanDerWaalsContact C-N 3.28Å; V331-A333 PolarHBondContact O-N 3.49Å
334H83.3Confident72.2Confident137 Ų13797.8 Ų97.863%0.63459%0.59SS**Hα-helixtrans-117.9-2.2-171.3-60.576.4000113.7Y330Y330-H334 AromaticContact CD2-ND1 3.74Å; Y330-H334 HydrophobicContact CE1-CB 4.4Å; Y330-H334 HydrophobicContact CE2-CB 4.37Å; Y330-H334 AromaticContact CE2-CG 3.91Å; Y330-H334 AromaticContact CE2-ND1 3.82Å; Y330-H334 WeakPolarHBondContact O-CB 3.42Å; Y330-H334 PolarHBondContact O-N 3.47Å; Y330-H334 PolarHBondContact O-ND1 3.23Å
335G77.8Confident69.4Low37 Ų3798.9 Ų98.938%0.38162%0.621SS.*  trans77.8170.4-172.200000112.9V331V331-G335 CarbonylContact O-C 3.5Å; V331-G335 WeakPolarHBondContact O-CA 3.38Å; V331-G335 PolarHBondContact O-N 3.29Å
336F69.8Low66.3Low167 Ų16797.6 Ų97.673%0.73264%0.635SS**  trans-67.7131.4174.4-78-83.7000110V331 S338V331-F336 HydrophobicContact CG1-CD1 3.78Å; V331-F336 HydrophobicContact CG1-CD2 3.91Å; V331-F336 HydrophobicContact CG1-CE1 3.79Å; V331-F336 HydrophobicContact CG1-CE2 3.92Å; V331-F336 HydrophobicContact CG1-CG 3.85Å; V331-F336 HydrophobicContact CG1-CZ 3.86Å; V331-F336 HydrophobicContact CG2-CD1 4.48Å; F336-S338 PolarHBondContact O-N 2.88Å
337P62.6Low63.4Low80 Ų80103.2 Ų103.252%0.51966%0.657SS.*  trans-63.2112.9163.425.6-29.4000107.6S339P337-S339 PolarHBondContact O-N 2.93Å; P337-S339 VanDerWaalsContact O-N 3.14Å
338S45.9Very low60.5Low93 Ų93104.8 Ų104.865%0.6568%0.682SS**  trans-52.8116.8179.3172.70000110.8F336 S340F336-S338 PolarHBondContact O-N 2.88Å; S338-S340 PolarHBondContact O-N 3.28Å; S338-S340 WeakPolarHBondContact OG-CB 3.5Å; S338-S340 PolarHBondContact OG-OG 3.04Å; S338-S340 VanDerWaalsContact OG-OG 3.09Å
339S50.1Low57.9Low117 Ų117101.2 Ų101.282%0.81869%0.686SS**  trans-79.161.9168.1610000110.3P337P337-S339 PolarHBondContact O-N 2.93Å; P337-S339 VanDerWaalsContact O-N 3.14Å
340S40.5Very low55.4Low102 Ų102100.3 Ų100.371%0.71370%0.696SS**  trans-101.560.4174.858.20000110.7S338S338-S340 PolarHBondContact O-N 3.28Å; S338-S340 WeakPolarHBondContact OG-CB 3.5Å; S338-S340 PolarHBondContact OG-OG 3.04Å; S338-S340 VanDerWaalsContact OG-OG 3.09Å
341A41.1Very low52.8Low103 Ų103103.2 Ų103.285%0.85172%0.716SS**  trans-152.725.8170.100000113.1
342A42Very low50.2Low97 Ų97112.3 Ų112.380%0.80275%0.754SS**SBendtrans-113.554.8175.800000111.1
343S40.5Very low48.1Very low116 Ų116111.6 Ų111.681%0.81176%0.755SS**  trans-170.381.9161.361.40000111.8
344A32.2Very low45.5Very low102 Ų102114.7 Ų114.784%0.84377%0.766SS**  trans-155.7110.6152.200000108
345G37Very low43.6Very low88 Ų88118.9 Ų118.991%0.90778%0.777SS**  trans-68146.8168.800000110.7
346G29.7Very low41.6Very low75 Ų75125.9 Ų125.977%0.77380%0.799SS**  trans171.6111.4172.100000111
347D35.1Very low40.1Very low174 Ų174127.4 Ų127.493%0.9381%0.806SS**  trans-49.2132.4162.5-81.2-51.8000110.9
348A32.6Very low38.7Very low90 Ų90132.2 Ų132.274%0.74482%0.824SS**  trans179.9120.4137.400000111.1
349S38.8Very low38.3Very low114 Ų114133.7 Ų133.780%0.79783%0.829SS**  trans-38.9146.7151.447.20000114.6
350S40.5Very low37.6Very low109 Ų109134.4 Ų134.476%0.76283%0.828SS**  trans75.8122.6167.6-143.50000113.9
351M36.1Very low37.3Very low185 Ų185138.8 Ų138.891%0.91183%0.834SS**  -179.4114.3129.4-78.9-87.1167.600107.2
352K38.9Very low37.1Very low209 Ų209142.5 Ų142.591%0.90983%0.834SS**  trans-64.1136.5177.7-82.2168.6168.2172.70111.4
353G45.8Very low36.8Very low74 Ų74142.8 Ų142.876%0.76383%0.83SS**  trans40.6102.6137.200000120.1
354V34.9Very low36.4Very low139 Ų139141 Ų14184%0.84283%0.829SS**  trans-139.6102.2141.4-177.30000108.2
355R44.3Very low36.6Very low225 Ų225145.6 Ų145.685%0.84983%0.831SS**  trans-88114.2166.2-87.5-176.9161.8-173.4-4.4108.1K357R355-K357 PolarHBondContact O-N 2.98Å
356Q35.9Very low36.7Very low184 Ų184147.3 Ų147.386%0.8682%0.824SS**  trans-67118.2169.4-83.7177.2-22.300109.6
357K37.3Very low37.4Very low199 Ų199154.1 Ų154.187%0.86585%0.85SS**  trans-77.7118.1170-75.5-176.6175.3179.40108.9R355R355-K357 PolarHBondContact O-N 2.98Å
358M34.4Very low37.5Very low181 Ų181153.1 Ų153.189%0.89285%0.846SS**  trans-88.3108.4165.5-51.1-174.383.100107.6
359V36.3Very low37.7Very low125 Ų125156.4 Ų156.476%0.75885%0.852SS**  trans-86112.3173.4172.80000107.8K361V359-K361 PolarHBondContact O-N 3.03Å
360V36.4Very low37.7Very low132 Ų132158.8 Ų158.880%0.886%0.855SS**  trans-82109.1166.61720000107.6
361K33.4Very low37.5Very low193 Ų193161.7 Ų161.784%0.83986%0.86SS**  trans-83.9108175.5-160173.8-175.1178.20107.8V359 S363V359-K361 PolarHBondContact O-N 3.03Å; K361-S363 PolarHBondContact O-N 2.94Å
362Q36.8Very low37.6Very low181 Ų181160.3 Ų160.385%0.84686%0.857SS**  trans-79.3112.2167.4-75.3-173.4-2.500108.7
363S34.9Very low37.5Very low104 Ų104157 Ų15773%0.72785%0.854SS**  trans-82.2106.6166.251.10000108.8K361 F365K361-S363 PolarHBondContact O-N 2.94Å; S363-F365 PolarHBondContact O-N 3.1Å
364G32.1Very low36.9Very low77 Ų77162.9 Ų162.979%0.79486%0.86SS**PPolyproline II helixtrans-74.4117.4163.400000109.3
365F36.9Very low37.1Very low199 Ų199164.8 Ų164.887%0.87386%0.862SS**PPolyproline II helixtrans-94.2125.7162.2-110.8-90.2000108S363S363-F365 PolarHBondContact O-N 3.1Å
366T39.3Very low36.5Very low124 Ų124159.8 Ų159.876%0.76186%0.863SS**PPolyproline II helixtrans-69.4145.2174.847.60000112
367T43.9Very low36.5Very low218 Ų218157.5 Ų157.5100%1.33786%0.863SS**  -148.90126.421.20000108.8

Retrieved 367 of 367 residues in 354.7 ms (Link to these results)