A0A087XEB9_POEFO Loading...

Shisa family member 3

AlphaFold DB , UniProt , Accession A0A087XEB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 278 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
1M60.5Low72.5Confident209 Ų209121.8 Ų121.8100%1.0362%0.617SS**  0-680-57.5-169.2-14800111.7R3 L4 W5M1-R3 PolarHBondContact O-N 2.83Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-W5 PolarHBondContact O-N 3.34Å
2V68.5Low72.7Confident112 Ų112124.4 Ų124.468%0.67962%0.616SS**Hα-helixtrans-48.6-45.3-173.7-177.10000115.2L4 W5 N6V2-L4 PolarHBondContact O-N 3.39Å; V2-W5 PolarHBondContact O-N 3.18Å; V2-N6 WeakPolarHBondContact CG1-ND2 3.43Å; V2-N6 PolarHBondContact O-N 2.86Å; V2-N6 PolarHBondContact O-ND2 2.72Å
3R67.4Low72.4Confident222 Ų222121.8 Ų121.884%0.83861%0.605SS**Hα-helixtrans-63.2-38176.7-74.8-172.8177.3-175.7-1.3113.6M1 N6 C7M1-R3 PolarHBondContact O-N 2.83Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-N6 PolarHBondContact O-N 3.05Å; R3-C7 PolarHBondContact O-N 3.21Å; R3-C7 PolarHBondContact O-SG 2.83Å
4L69.1Low72.2Confident122 Ų122119 Ų11964%0.63960%0.598SS**Hα-helixtrans-73.3-38.3-178-143.8155.7000110.6M1 V2 C7 L8M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.16Å; V2-L4 PolarHBondContact O-N 3.39Å; L4-C7 PolarHBondContact O-N 3.15Å; L4-L8 HydrophobicContact CD2-CD1 3.84Å; L4-L8 HydrophobicContact CD2-CG 4.28Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.48Å
5W75.1Confident71.6Confident181 Ų181124 Ų12469%0.68661%0.607SS**Hα-helixtrans-61.3-43.2169.5-172.5-93.1000112.2M1 V2 L8 L9M1-W5 PolarHBondContact O-N 3.34Å; V2-W5 PolarHBondContact O-N 3.18Å; W5-L8 PolarHBondContact O-N 3.45Å; W5-L9 WeakPolarHBondContact O-CB 3.42Å; W5-L9 PolarHBondContact O-N 2.96Å
6N76.1Confident71Confident77 Ų77120.4 Ų120.441%0.41259%0.591SS.*Hα-helixtrans-65.8-42.1175.1-81.4-77000112.4V2 R3 L8 L9 L10V2-N6 WeakPolarHBondContact CG1-ND2 3.43Å; V2-N6 PolarHBondContact O-N 2.86Å; V2-N6 PolarHBondContact O-ND2 2.72Å; R3-N6 PolarHBondContact O-N 3.05Å; N6-L8 VanDerWaalsContact C-N 3.33Å; N6-L8 PolarHBondContact O-N 2.91Å; N6-L9 PolarHBondContact O-N 3.01Å; N6-L10 WeakPolarHBondContact O-CB 2.89Å; N6-L10 PolarHBondContact O-N 3.44Å
7C75.3Confident70.3Confident86 Ų86120.8 Ų120.858%0.58160%0.595SS**Hα-helixtrans-64.2-36.8175.1-65.80000112.5R3 L4 G11R3-C7 PolarHBondContact O-N 3.21Å; R3-C7 PolarHBondContact O-SG 2.83Å; L4-C7 PolarHBondContact O-N 3.15Å; C7-G11 PolarHBondContact O-N 3.33Å
8L77.9Confident69.4Low113 Ų113126.2 Ų126.259%0.59261%0.608SS**Hα-helixtrans-68.8-41.3173.9-74.8169.2000112L4 W5 N6 G11 Y12L4-L8 HydrophobicContact CD2-CD1 3.84Å; L4-L8 HydrophobicContact CD2-CG 4.28Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.48Å; W5-L8 PolarHBondContact O-N 3.45Å; N6-L8 VanDerWaalsContact C-N 3.33Å; N6-L8 PolarHBondContact O-N 2.91Å; L8-G11 PolarHBondContact O-N 3.38Å; L8-Y12 WeakPolarHBondContact O-CB 3.35Å; L8-Y12 PolarHBondContact O-N 3.34Å
9L76.6Confident68.5Low72 Ų72125.5 Ų125.538%0.37761%0.606SS.*Hα-helixtrans-63.4-42.7172.8-83.7173000112W5 N6 Y12 L13W5-L9 WeakPolarHBondContact O-CB 3.42Å; W5-L9 PolarHBondContact O-N 2.96Å; N6-L9 PolarHBondContact O-N 3.01Å; L9-Y12 PolarHBondContact O-N 3.12Å; L9-L13 VanDerWaalsContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CB 3.22Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.11Å; L9-L13 PolarHBondContact O-N 2.92Å
10L75.6Confident67.6Low108 Ų108124.3 Ų124.357%0.56561%0.611SS**Hα-helixtrans-64.5-45175.9-88.4150.3000111.3N6 L13 T14N6-L10 WeakPolarHBondContact O-CB 2.89Å; N6-L10 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 2.81Å; L10-T14 WeakPolarHBondContact O-CG2 3.31Å; L10-T14 PolarHBondContact O-N 3.33Å; L10-T14 PolarHBondContact O-OG1 2.83Å
11G75.3Confident66.9Low38 Ų38123.9 Ų123.939%0.39261%0.612SS.*Hα-helixtrans-64.8-38.317500000113C7 L8 T14 W15C7-G11 PolarHBondContact O-N 3.33Å; L8-G11 PolarHBondContact O-N 3.38Å; G11-T14 PolarHBondContact O-OG1 2.85Å; G11-W15 WeakPolarHBondContact O-CB 3.45Å; G11-W15 PolarHBondContact O-N 3.46Å
12Y75.4Confident66.8Low153 Ų153117.8 Ų117.860%0.660%0.595SS**Hα-helixtrans-67.2-45.2173.8-178.3-100.3000111.1L8 L9 W15 N16L8-Y12 WeakPolarHBondContact O-CB 3.35Å; L8-Y12 PolarHBondContact O-N 3.34Å; L9-Y12 PolarHBondContact O-N 3.12Å; Y12-W15 PolarHBondContact O-N 3.37Å; Y12-N16 VanDerWaalsContact CD2-ND2 3.35Å; Y12-N16 WeakPolarHBondContact CD2-ND2 3.22Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.31Å; Y12-N16 VanDerWaalsContact CZ-ND2 3.34Å; Y12-N16 WeakPolarHBondContact O-CB 3.31Å; Y12-N16 PolarHBondContact O-N 3.39Å; Y12-N16 PolarHBondContact O-ND2 3.25Å
13L68.5Low67.1Low91 Ų91119.5 Ų119.548%0.47660%0.595SS.*Hα-helixtrans-63.8-45.1176.9-77.7163000111.6L9 L10 W15 N16 L17L9-L13 VanDerWaalsContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CB 3.22Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.11Å; L9-L13 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 2.81Å; L13-W15 VanDerWaalsContact C-N 3.34Å; L13-W15 PolarHBondContact O-N 2.85Å; L13-N16 PolarHBondContact O-N 2.94Å; L13-L17 HydrophobicContact CB-CD1 4.41Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 WeakPolarHBondContact O-CD1 3.44Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 2.91Å
14T69.1Low68.1Low82 Ų82109.8 Ų109.850%0.50356%0.564SS.*Hα-helixtrans-67.9-33.5176.856.20000112.4L10 G11 R18L10-T14 WeakPolarHBondContact O-CG2 3.31Å; L10-T14 PolarHBondContact O-N 3.33Å; L10-T14 PolarHBondContact O-OG1 2.83Å; G11-T14 PolarHBondContact O-OG1 2.85Å; T14-R18 VanDerWaalsContact O-CB 3.29Å; T14-R18 WeakPolarHBondContact O-CB 3.33Å; T14-R18 WeakPolarHBondContact O-CG 3.35Å; T14-R18 PolarHBondContact O-N 3.39Å; T14-R18 VanDerWaalsContact O-N 3.16Å
15W63.2Low69.3Low194 Ų194106.4 Ų106.474%0.73555%0.545SS*.Hα-helixtrans-65.9-47.4173.1-170-83.8000111.7G11 Y12 L13 R18 I19G11-W15 WeakPolarHBondContact O-CB 3.45Å; G11-W15 PolarHBondContact O-N 3.46Å; Y12-W15 PolarHBondContact O-N 3.37Å; L13-W15 VanDerWaalsContact C-N 3.34Å; L13-W15 PolarHBondContact O-N 2.85Å; W15-R18 PolarHBondContact O-N 2.83Å; W15-I19 WeakPolarHBondContact O-CD1 3.23Å; W15-I19 WeakPolarHBondContact O-CG1 3.23Å
16N62.4Low70.2Confident66 Ų66102.6 Ų102.635%0.35353%0.532SS..Hα-helixtrans-71.5-37.4179.8-74.6-92.3000112.6Y12 L13 R18 I19Y12-N16 VanDerWaalsContact CD2-ND2 3.35Å; Y12-N16 WeakPolarHBondContact CD2-ND2 3.22Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.31Å; Y12-N16 VanDerWaalsContact CZ-ND2 3.34Å; Y12-N16 WeakPolarHBondContact O-CB 3.31Å; Y12-N16 PolarHBondContact O-N 3.39Å; Y12-N16 PolarHBondContact O-ND2 3.25Å; L13-N16 PolarHBondContact O-N 2.94Å; N16-R18 VanDerWaalsContact C-N 3.27Å; N16-R18 PolarHBondContact O-N 3.4Å; N16-I19 PolarHBondContact O-N 3.09Å
17L58.3Low71.1Confident127 Ų12799 Ų9967%0.66551%0.512SS*.Hα-helixtrans-73-16.4177.4-70.2166.3000113.4L13 I19L13-L17 HydrophobicContact CB-CD1 4.41Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 WeakPolarHBondContact O-CD1 3.44Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 2.91Å; L17-I19 VanDerWaalsContact C-N 3.33Å
18R54.8Low72Confident219 Ų219100 Ų10083%0.82651%0.508SS*.THydrogen-bonded Turntrans-84.8-3.1172.1-77.6-70.9-170.5179.92.1113.9T14 W15 N16T14-R18 VanDerWaalsContact O-CB 3.29Å; T14-R18 WeakPolarHBondContact O-CB 3.33Å; T14-R18 WeakPolarHBondContact O-CG 3.35Å; T14-R18 PolarHBondContact O-N 3.39Å; T14-R18 VanDerWaalsContact O-N 3.16Å; W15-R18 PolarHBondContact O-N 2.83Å; N16-R18 VanDerWaalsContact C-N 3.27Å; N16-R18 PolarHBondContact O-N 3.4Å
19I52.5Low72.8Confident112 Ų11295 Ų9557%0.57448%0.484SS*.SBendtrans-93.8-12.6179.4-65.6166.6000111.8W15 N16 L17 D21W15-I19 WeakPolarHBondContact O-CD1 3.23Å; W15-I19 WeakPolarHBondContact O-CG1 3.23Å; N16-I19 PolarHBondContact O-N 3.09Å; L17-I19 VanDerWaalsContact C-N 3.33Å; I19-D21 PolarHBondContact O-N 3.33Å
20S49.9Very low73.6Confident101 Ų10192.1 Ų92.171%0.70647%0.468SS*.  trans-85.733.1175.8-55.40000113.8A22S20-A22 PolarHBondContact O-N 2.84Å
21D54Low74.5Confident116 Ų11690.1 Ų90.162%0.6246%0.457SS*.  trans-71.1104.5153.7-167.148000105.4I19 Q23I19-D21 PolarHBondContact O-N 3.33Å; D21-Q23 PolarHBondContact O-N 2.89Å; D21-Q23 PolarHBondContact OD2-NE2 3.37Å
22A57.4Low75.4Confident81 Ų8189.6 Ų89.667%0.66945%0.446SS*.  trans-76.174-176.300000109.1S20 G24S20-A22 PolarHBondContact O-N 2.84Å; A22-G24 PolarHBondContact O-N 3.24Å; A22-G24 VanDerWaalsContact O-N 3.14Å
23Q75Confident76.2Confident148 Ų14887.5 Ų87.569%0.69245%0.454SS*.  trans-56.6119.2173.9-53.7-164.4-23.900107.1D21D21-Q23 PolarHBondContact O-N 2.89Å; D21-Q23 PolarHBondContact OD2-NE2 3.37Å
24G88.7Confident77.4Confident18 Ų1889.2 Ų89.219%0.18646%0.463CS..  trans-69.9-167.2-176.800000111.9A22 Q42 C43 T53A22-G24 PolarHBondContact O-N 3.24Å; A22-G24 VanDerWaalsContact O-N 3.14Å; G24-Q42 PolarHBondContact O-NE2 2.84Å; G24-C43 WeakPolarHBondContact CA-O 3.37Å; G24-C43 PolarHBondContact N-O 3.41Å; G24-C43 VanDerWaalsContact N-O 3.11Å; G24-T53 CarbonylContact C-O 3.41Å; G24-T53 VanDerWaalsContact CA-O 3.3Å; G24-T53 WeakPolarHBondContact CA-O 3.38Å
25E94.1Very high78.3Confident52 Ų5287.8 Ų87.824%0.24347%0.465CS..  trans-72.7142.4175.4-59.1-168.7145.100111Q42 C43 T53 V54 C55 R71E25-Q42 PolarHBondContact O-NE2 3.39Å; E25-C43 VanDerWaalsContact O-CB 3.24Å; E25-C43 WeakPolarHBondContact O-CB 3.29Å; E25-C43 PolarHBondContact O-N 2.78Å; E25-T53 PolarHBondContact N-O 3.29Å; E25-V54 WeakPolarHBondContact OE2-CG1 3.46Å; E25-C55 HydrophobicContact CB-CB 4.07Å; E25-C55 PolarHBondContact OE2-N 3.18Å; E25-R71 IonicContact OE1-CZ 3.12Å; E25-R71 IonicContact OE1-NE 2.74Å; E25-R71 PolarHBondContact OE1-NE 3.12Å; E25-R71 IonicContact OE1-NH2 2.67Å; E25-R71 PolarHBondContact OE1-NH2 2.74Å; E25-R71 IonicContact OE2-NE 3.23Å; E25-R71 PolarHBondContact OE2-NE 3.23Å
26Y94.3Very high79.8Confident101 Ų10183 Ų8340%0.39645%0.454SS..EExtended strand (participates in β ladder)trans-85.8120.3169.1-174.9-104000108.7H28 G40 F41 Q42 Q74Y26-H28 AromaticContact CD1-ND1 3.87Å; Y26-H28 AromaticContact CE1-ND1 3.96Å; Y26-H28 PolarHBondContact O-N 3.04Å; Y26-G40 VanDerWaalsContact OH-CA 3.31Å; Y26-G40 WeakPolarHBondContact OH-CA 3.16Å; Y26-G40 PolarHBondContact OH-O 2.81Å; Y26-F41 WeakPolarHBondContact CD2-O 3.16Å; Y26-Q42 HydrophobicContact CD2-CB 4.19Å; Y26-Q74 PolarHBondContact O-NE2 2.92Å
27C94.9Very high81.2Confident0 Ų084 Ų840%045%0.453CS..EExtended strand (participates in β ladder)trans-78.2111.4166.7-75.10000108.3G40 F41 C55 R62C27-G40 CarbonylContact O-C 3.37Å; C27-G40 WeakPolarHBondContact O-CA 3.16Å; C27-F41 HydrophobicContact CB-CD1 4.44Å; C27-F41 HydrophobicContact CB-CD2 3.94Å; C27-F41 HydrophobicContact CB-CE1 4.07Å; C27-F41 HydrophobicContact CB-CE2 3.5Å; C27-F41 VanDerWaalsContact CB-CE2 3.5Å; C27-F41 HydrophobicContact CB-CG 4.39Å; C27-F41 HydrophobicContact CB-CZ 3.57Å; C27-F41 PolarHBondContact N-O 3.43Å; C27-F41 PolarHBondContact O-N 2.81Å; C27-F41 WeakPolarHBondContact SG-CE2 3.33Å; C27-C55 WeakPolarHBondContact CA-SG 3.48Å; C27-C55 HydrophobicContact CB-CB 4.24Å; C27-C55 WeakPolarHBondContact CB-SG 3.26Å; C27-C55 VanDerWaalsContact SG-CA 3.52Å; C27-C55 WeakPolarHBondContact SG-CB 3.27Å; C27-C55 CovalentContact SG-SG 2.04Å; C27-C55 PolarHBondContact SG-SG 2.92Å; C27-R62 HydrophobicContact CB-CB 4.32Å
28H94.5Very high83Confident107 Ų10781.3 Ų81.350%0.49544%0.437SS..  trans-66.1143.9173.7-64.8-88.7000110.9Y26 R62Y26-H28 AromaticContact CD1-ND1 3.87Å; Y26-H28 AromaticContact CE1-ND1 3.96Å; Y26-H28 PolarHBondContact O-N 3.04Å; H28-R62 WeakPolarHBondContact O-CD 3.4Å; H28-R62 PolarHBondContact O-NH1 2.77Å; H28-R62 VanDerWaalsContact O-NH1 3.08Å
29G93.8Very high84.8Confident8 Ų878.5 Ų78.58%0.08243%0.433CS..  trans-61.7150.2177.200000113H38G29-H38 CarbonylContact C-O 3.46Å; G29-H38 WeakPolarHBondContact CA-O 3.48Å
30W94.8Very high86.8Confident12 Ų1274 Ų745%0.04542%0.415CS..EExtended strand (participates in β ladder)trans-149.3159.1-169.474.592.8000112.6Y37 H38 F41 C59 A60 R62 N79W30-Y37 WeakPolarHBondContact O-CA 3.24Å; W30-H38 HydrophobicContact CD2-CB 3.83Å; W30-H38 AromaticContact CE2-CD2 3.99Å; W30-H38 AromaticContact CE2-CG 3.84Å; W30-H38 HydrophobicContact CE3-CB 3.91Å; W30-H38 HydrophobicContact CH2-CB 3.75Å; W30-H38 HydrophobicContact CZ2-CB 3.65Å; W30-H38 AromaticContact CZ2-CG 3.73Å; W30-H38 HydrophobicContact CZ3-CB 3.87Å; W30-H38 PolarHBondContact N-O 3.47Å; W30-H38 AromaticContact NE1-CD2 3.78Å; W30-H38 PolarHBondContact O-N 2.87Å; W30-F41 AromaticContact CH2-CE1 3.77Å; W30-F41 HydrophobicContact CH2-CE1 3.77Å; W30-F41 HydrophobicContact CH2-CZ 4.41Å; W30-F41 HydrophobicContact CZ3-CD1 4.47Å; W30-F41 AromaticContact CZ3-CE1 3.65Å; W30-F41 HydrophobicContact CZ3-CE1 3.65Å; W30-F41 HydrophobicContact CZ3-CZ 4.36Å; W30-C59 VanDerWaalsContact CD1-O 3.31Å; W30-A60 VanDerWaalsContact CD1-C 3.49Å; W30-A60 PolarHBondContact NE1-O 2.92Å; W30-R62 HydrophobicContact CD2-CB 4.37Å; W30-R62 HydrophobicContact CD2-CG 3.75Å; W30-R62 HydrophobicContact CE3-CB 3.98Å; W30-R62 HydrophobicContact CE3-CG 3.68Å; W30-R62 HydrophobicContact CG-CG 4.35Å; W30-R62 HydrophobicContact CH2-CB 3.78Å; W30-R62 HydrophobicContact CH2-CG 4.24Å; W30-R62 WeakPolarHBondContact CH2-O 3.28Å; W30-R62 HydrophobicContact CZ2-CB 4.18Å; W30-R62 HydrophobicContact CZ2-CG 4.31Å; W30-R62 HydrophobicContact CZ3-CB 3.68Å; W30-R62 HydrophobicContact CZ3-CG 3.94Å; W30-N79 CarbonylContact C-O 3.52Å; W30-N79 WeakPolarHBondContact CA-O 3.35Å
31L94.6Very high88.9Confident66 Ų6670.9 Ų70.935%0.34639%0.388SS..EExtended strand (participates in β ladder)trans-90.9123.4170.1-71.6158.2000109.3N36 Y37 N79L31-N36 WeakPolarHBondContact CA-O 3.35Å; L31-Y37 HydrophobicContact CD2-CD2 4.49Å; L31-Y37 HydrophobicContact CG-CD2 4.42Å; L31-N79 PolarHBondContact N-O 2.9Å; L31-N79 PolarHBondContact O-ND2 3.11Å
32D93.3Very high90.9Very high28 Ų2869.2 Ų69.215%0.1538%0.377CS..  trans-72.2175.9174.46821.6000112.4N34 G35 N36 H38D32-N34 PolarHBondContact O-N 3.4Å; D32-N34 VanDerWaalsContact OD1-C 3.27Å; D32-N34 VanDerWaalsContact OD1-CA 3.25Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 VanDerWaalsContact OD1-CB 3.29Å; D32-N34 WeakPolarHBondContact OD1-CB 3.38Å; D32-N34 PolarHBondContact OD1-N 2.95Å; D32-G35 PolarHBondContact O-N 2.76Å; D32-G35 VanDerWaalsContact O-N 3.08Å; D32-G35 PolarHBondContact OD1-N 3.45Å; D32-N36 PolarHBondContact N-O 3.24Å; D32-N36 PolarHBondContact OD1-N 2.84Å; D32-N36 PolarHBondContact OD1-ND2 3.23Å; D32-N36 WeakPolarHBondContact OD2-CB 3.42Å; D32-N36 PolarHBondContact OD2-ND2 3.42Å; D32-H38 IonicContact OD2-CD2 3.77Å; D32-H38 IonicContact OD2-CE1 3.87Å; D32-H38 IonicContact OD2-NE2 2.86Å; D32-H38 PolarHBondContact OD2-NE2 3.16Å
33S91.9Very high92.6Very high109 Ų10965.4 Ų65.476%0.76235%0.345SS*.THydrogen-bonded Turntrans-60.4-11.6176.149.10000114.7
34N93.3Very high93.6Very high127 Ų12760.6 Ų60.668%0.67933%0.327SS*.THydrogen-bonded Turntrans-105.7-2.2-177.1-62.667.6000111.5D32D32-N34 PolarHBondContact O-N 3.4Å; D32-N34 VanDerWaalsContact OD1-C 3.27Å; D32-N34 VanDerWaalsContact OD1-CA 3.25Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 VanDerWaalsContact OD1-CB 3.29Å; D32-N34 WeakPolarHBondContact OD1-CB 3.38Å; D32-N34 PolarHBondContact OD1-N 2.95Å
35G89.6Confident93.7Very high52 Ų5264.2 Ų64.254%0.53634%0.339SS..SBendtrans82.89.4-179.200000114.6D32D32-G35 PolarHBondContact O-N 2.76Å; D32-G35 VanDerWaalsContact O-N 3.08Å; D32-G35 PolarHBondContact OD1-N 3.45Å
36N93.1Very high93.5Very high94 Ų9469.4 Ų69.450%0.50337%0.368SS..PPolyproline II helixtrans-81.3137.5172.8-43.5-73.4000109.6L31 D32 H38L31-N36 WeakPolarHBondContact CA-O 3.35Å; D32-N36 PolarHBondContact N-O 3.24Å; D32-N36 PolarHBondContact OD1-N 2.84Å; D32-N36 PolarHBondContact OD1-ND2 3.23Å; D32-N36 WeakPolarHBondContact OD2-CB 3.42Å; D32-N36 PolarHBondContact OD2-ND2 3.42Å; N36-H38 PolarHBondContact O-CD2 3.45Å
37Y93.5Very high93.2Very high86 Ų8674.3 Ų74.334%0.33739%0.392SS..EExtended strand (participates in β ladder)trans-87.3122.5174.2179.2-96.3000110.7W30 L31 E39 R81W30-Y37 WeakPolarHBondContact O-CA 3.24Å; L31-Y37 HydrophobicContact CD2-CD2 4.49Å; L31-Y37 HydrophobicContact CG-CD2 4.42Å; Y37-E39 HydrophobicContact CE1-CB 4.35Å; Y37-R81 HydrophobicContact CD2-CB 3.68Å; Y37-R81 VanDerWaalsContact CE1-CZ 3.49Å; Y37-R81 HydrophobicContact CE2-CB 3.32Å; Y37-R81 HydrophobicContact CE2-CG 4.41Å
38H94.4Very high93Very high71 Ų7177.3 Ų77.333%0.32941%0.408SS..EExtended strand (participates in β ladder)trans-95.2134.2170.1-63-94000108.8G29 W30 D32 N36G29-H38 CarbonylContact C-O 3.46Å; G29-H38 WeakPolarHBondContact CA-O 3.48Å; W30-H38 HydrophobicContact CD2-CB 3.83Å; W30-H38 AromaticContact CE2-CD2 3.99Å; W30-H38 AromaticContact CE2-CG 3.84Å; W30-H38 HydrophobicContact CE3-CB 3.91Å; W30-H38 HydrophobicContact CH2-CB 3.75Å; W30-H38 HydrophobicContact CZ2-CB 3.65Å; W30-H38 AromaticContact CZ2-CG 3.73Å; W30-H38 HydrophobicContact CZ3-CB 3.87Å; W30-H38 PolarHBondContact N-O 3.47Å; W30-H38 AromaticContact NE1-CD2 3.78Å; W30-H38 PolarHBondContact O-N 2.87Å; D32-H38 IonicContact OD2-CD2 3.77Å; D32-H38 IonicContact OD2-CE1 3.87Å; D32-H38 IonicContact OD2-NE2 2.86Å; D32-H38 PolarHBondContact OD2-NE2 3.16Å; N36-H38 PolarHBondContact O-CD2 3.45Å
39E93.4Very high92.8Very high159 Ų15976.5 Ų76.574%0.74341%0.411SS*.PPolyproline II helixtrans-76.1156.5176.764.7-168.2156.700112Y37Y37-E39 HydrophobicContact CE1-CB 4.35Å
40G93.4Very high92.6Very high18 Ų1882.5 Ų82.519%0.18645%0.446CS..PPolyproline II helixtrans-86.1138.2-178.800000112Y26 C27Y26-G40 VanDerWaalsContact OH-CA 3.31Å; Y26-G40 WeakPolarHBondContact OH-CA 3.16Å; Y26-G40 PolarHBondContact OH-O 2.81Å; C27-G40 CarbonylContact O-C 3.37Å; C27-G40 WeakPolarHBondContact O-CA 3.16Å
41F94.1Very high92.5Very high35 Ų3586.2 Ų86.215%0.15447%0.467CS..EExtended strand (participates in β ladder)trans-123.9158.6-17751.7-94.3000111.7Y26 C27 W30 E45 R62 C64Y26-F41 WeakPolarHBondContact CD2-O 3.16Å; C27-F41 HydrophobicContact CB-CD1 4.44Å; C27-F41 HydrophobicContact CB-CD2 3.94Å; C27-F41 HydrophobicContact CB-CE1 4.07Å; C27-F41 HydrophobicContact CB-CE2 3.5Å; C27-F41 VanDerWaalsContact CB-CE2 3.5Å; C27-F41 HydrophobicContact CB-CG 4.39Å; C27-F41 HydrophobicContact CB-CZ 3.57Å; C27-F41 PolarHBondContact N-O 3.43Å; C27-F41 PolarHBondContact O-N 2.81Å; C27-F41 WeakPolarHBondContact SG-CE2 3.33Å; W30-F41 AromaticContact CH2-CE1 3.77Å; W30-F41 HydrophobicContact CH2-CE1 3.77Å; W30-F41 HydrophobicContact CH2-CZ 4.41Å; W30-F41 HydrophobicContact CZ3-CD1 4.47Å; W30-F41 AromaticContact CZ3-CE1 3.65Å; W30-F41 HydrophobicContact CZ3-CE1 3.65Å; W30-F41 HydrophobicContact CZ3-CZ 4.36Å; F41-E45 HydrophobicContact CB-CG 4.31Å; F41-E45 HydrophobicContact CD2-CG 3.92Å; F41-E45 HydrophobicContact CG-CG 4.3Å; F41-R62 HydrophobicContact CZ-CB 4.43Å; F41-C64 WeakPolarHBondContact CE2-SG 3.38Å
42Q95.8Very high92.5Very high82 Ų8283.2 Ų83.238%0.38345%0.452SS..EExtended strand (participates in β ladder)trans-97.2122.6-179.9177.157.264.300109.1G24 E25 Y26 P44G24-Q42 PolarHBondContact O-NE2 2.84Å; E25-Q42 PolarHBondContact O-NE2 3.39Å; Y26-Q42 HydrophobicContact CD2-CB 4.19Å; Q42-P44 CarbonylContact O-C 3.22Å
43C95Very high92.6Very high1 Ų184.2 Ų84.21%0.00746%0.459CS..SBendtrans-81146.4175.6-660000112.2G24 E25 A52 C64G24-C43 WeakPolarHBondContact CA-O 3.37Å; G24-C43 PolarHBondContact N-O 3.41Å; G24-C43 VanDerWaalsContact N-O 3.11Å; E25-C43 VanDerWaalsContact O-CB 3.24Å; E25-C43 WeakPolarHBondContact O-CB 3.29Å; E25-C43 PolarHBondContact O-N 2.78Å; C43-A52 WeakPolarHBondContact CB-O 3.44Å; C43-C64 WeakPolarHBondContact CA-SG 3.16Å; C43-C64 HydrophobicContact CB-CB 3.8Å; C43-C64 WeakPolarHBondContact CB-SG 3.12Å; C43-C64 WeakPolarHBondContact SG-CA 3.41Å; C43-C64 WeakPolarHBondContact SG-CB 3.23Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 3.41Å
44P94.2Very high92.8Very high47 Ų4779.9 Ų79.931%0.30543%0.428SS..SBendcis-71.9149.5-1531.9-34.2000111.5Q42 D48 T49 A52Q42-P44 CarbonylContact O-C 3.22Å; P44-D48 HydrophobicContact CB-CB 3.82Å; P44-T49 WeakPolarHBondContact CB-O 3.49Å; P44-A52 WeakPolarHBondContact CA-O 3.06Å; P44-A52 HydrophobicContact CB-CB 4.36Å; P44-A52 WeakPolarHBondContact CB-O 3.48Å
45E91.4Very high92.9Very high94 Ų9473.8 Ų73.844%0.43940%0.395SS..PPolyproline II helixtrans-75.5169.4172.6-60.4-169.67200112F41 F47 D48F41-E45 HydrophobicContact CB-CG 4.31Å; F41-E45 HydrophobicContact CD2-CG 3.92Å; F41-E45 HydrophobicContact CG-CG 4.3Å; E45-F47 PolarHBondContact O-N 2.87Å; E45-D48 WeakPolarHBondContact CB-OD2 3.46Å; E45-D48 PolarHBondContact N-OD2 3.36Å; E45-D48 PolarHBondContact O-N 3.48Å
46D89.3Confident93.3Very high161 Ų16171.3 Ų71.386%0.86137%0.37SS*.THydrogen-bonded Turntrans-54.9-22.6-176.5-77.6-34.7000114.9
47F88.3Confident93.4Very high203 Ų20368.5 Ų68.589%0.8936%0.363SS*.THydrogen-bonded Turntrans-111.90.7-177.5-61.3-75.9000114E45E45-F47 PolarHBondContact O-N 2.87Å
48D90.3Very high93.5Very high64 Ų6467.1 Ų67.134%0.34237%0.365SS..SBendtrans-83168.6178.4-76.2-37.4000112.6P44 E45 A52 C64P44-D48 HydrophobicContact CB-CB 3.82Å; E45-D48 WeakPolarHBondContact CB-OD2 3.46Å; E45-D48 PolarHBondContact N-OD2 3.36Å; E45-D48 PolarHBondContact O-N 3.48Å; D48-A52 HydrophobicContact CB-CB 4.09Å; D48-C64 VanDerWaalsContact OD2-CB 3.22Å; D48-C64 WeakPolarHBondContact OD2-CB 3.35Å
49T90.4Very high93.5Very high89 Ų8965.9 Ų65.955%0.54637%0.365SS..  trans-74.5146.5167.958.30000110.4P44 D51 A52P44-T49 WeakPolarHBondContact CB-O 3.49Å; T49-D51 WeakPolarHBondContact CB-OD1 3.39Å; T49-D51 PolarHBondContact O-N 2.96Å; T49-D51 PolarHBondContact OG1-OD1 2.94Å; T49-A52 VanDerWaalsContact O-CB 3.27Å; T49-A52 WeakPolarHBondContact O-CB 3.39Å; T49-A52 PolarHBondContact O-N 2.68Å
50T90.7Very high93.6Very high134 Ų13460.1 Ų60.182%0.82234%0.344SS*.THydrogen-bonded Turntrans-63.5-13.9-175.5540000114.6
51D92.4Very high93.6Very high90 Ų9064.2 Ų64.248%0.48136%0.361SS..THydrogen-bonded Turntrans-92.8-917563-23.6000113.5T49 T53 A66T49-D51 WeakPolarHBondContact CB-OD1 3.39Å; T49-D51 PolarHBondContact O-N 2.96Å; T49-D51 PolarHBondContact OG1-OD1 2.94Å; D51-T53 PolarHBondContact O-N 3.22Å; D51-T53 PolarHBondContact O-OG1 3.01Å; D51-A66 HydrophobicContact CB-CB 4.22Å; D51-A66 WeakPolarHBondContact O-CA 3.35Å; D51-A66 WeakPolarHBondContact O-CB 3.3Å
52A94.4Very high93.7Very high4 Ų463.1 Ų63.13%0.03336%0.356CS..  trans-7458.7176.500000112.2C43 P44 D48 T49 C64 C65C43-A52 WeakPolarHBondContact CB-O 3.44Å; P44-A52 WeakPolarHBondContact CA-O 3.06Å; P44-A52 HydrophobicContact CB-CB 4.36Å; P44-A52 WeakPolarHBondContact CB-O 3.48Å; D48-A52 HydrophobicContact CB-CB 4.09Å; T49-A52 VanDerWaalsContact O-CB 3.27Å; T49-A52 WeakPolarHBondContact O-CB 3.39Å; T49-A52 PolarHBondContact O-N 2.68Å; A52-C64 HydrophobicContact CB-CB 4.23Å; A52-C65 CarbonylContact C-O 3.58Å; A52-C65 VanDerWaalsContact CA-C 3.49Å; A52-C65 WeakPolarHBondContact CA-O 2.99Å
53T95.4Very high93.7Very high48 Ų4864.3 Ų64.329%0.29436%0.358SS..  trans-93.50.5-171.651.50000113.6G24 E25 D51 C65G24-T53 CarbonylContact C-O 3.41Å; G24-T53 VanDerWaalsContact CA-O 3.3Å; G24-T53 WeakPolarHBondContact CA-O 3.38Å; E25-T53 PolarHBondContact N-O 3.29Å; D51-T53 PolarHBondContact O-N 3.22Å; D51-T53 PolarHBondContact O-OG1 3.01Å; T53-C65 PolarHBondContact N-O 3.34Å
54V95.8Very high93.7Very high18 Ų1864.8 Ų64.811%0.10936%0.361CS..EExtended strand (participates in β ladder)trans-111.5140.1-173.7-173.80000110.4E25 C56 C64 C65 R71E25-V54 WeakPolarHBondContact OE2-CG1 3.46Å; V54-C56 PolarHBondContact O-SG 3.48Å; V54-C56 VanDerWaalsContact O-SG 3.35Å; V54-C64 WeakPolarHBondContact O-CA 3.48Å; V54-C65 VanDerWaalsContact CB-O 3.28Å; V54-C65 WeakPolarHBondContact CB-O 3.2Å; V54-C65 PolarHBondContact N-O 3.01Å; V54-C65 PolarHBondContact O-N 2.82Å; V54-R71 HydrophobicContact CG1-CB 3.6Å; V54-R71 HydrophobicContact CG1-CG 3.5Å; V54-R71 VanDerWaalsContact CG1-CG 3.5Å
55C96.8Very high93.8Very high0 Ų063.4 Ų63.40%035%0.352CS..EExtended strand (participates in β ladder)trans-83117.1172.6-172.20000109.8E25 C27 R71 L72 Q74E25-C55 HydrophobicContact CB-CB 4.07Å; E25-C55 PolarHBondContact OE2-N 3.18Å; C27-C55 WeakPolarHBondContact CA-SG 3.48Å; C27-C55 HydrophobicContact CB-CB 4.24Å; C27-C55 WeakPolarHBondContact CB-SG 3.26Å; C27-C55 VanDerWaalsContact SG-CA 3.52Å; C27-C55 WeakPolarHBondContact SG-CB 3.27Å; C27-C55 CovalentContact SG-SG 2.04Å; C27-C55 PolarHBondContact SG-SG 2.92Å; C55-R71 WeakPolarHBondContact O-CA 3.22Å; C55-L72 PolarHBondContact O-N 3.39Å; C55-Q74 VanDerWaalsContact SG-CD 3.58Å
56C96.9Very high94Very high0 Ų061.4 Ų61.40%035%0.352CS..EExtended strand (participates in β ladder)trans-121.1163.8-168.4-55.10000112.7V54 R62 Y63 C65 A70V54-C56 PolarHBondContact O-SG 3.48Å; V54-C56 VanDerWaalsContact O-SG 3.35Å; C56-R62 WeakPolarHBondContact O-CA 3.31Å; C56-Y63 HydrophobicContact CB-CD2 4.3Å; C56-Y63 HydrophobicContact CB-CE1 4.4Å; C56-Y63 HydrophobicContact CB-CE2 3.91Å; C56-Y63 PolarHBondContact N-O 3.01Å; C56-Y63 PolarHBondContact O-N 3.28Å; C56-Y63 VanDerWaalsContact O-N 3.09Å; C56-C65 HydrophobicContact CB-CB 3.73Å; C56-C65 WeakPolarHBondContact CB-SG 3.24Å; C56-C65 WeakPolarHBondContact SG-CB 3.42Å; C56-C65 CovalentContact SG-SG 2.03Å; C56-C65 PolarHBondContact SG-SG 3.43Å; C56-A70 VanDerWaalsContact CA-O 3.27Å; C56-A70 WeakPolarHBondContact CA-O 3.15Å; C56-A70 HydrophobicContact CB-CB 4.38Å; C56-A70 WeakPolarHBondContact CB-O 3.32Å
57G95.4Very high94.3Very high34 Ų3455.7 Ų55.735%0.35133%0.327SS..EExtended strand (participates in β ladder)trans109.4-126.3172.500000114.5A70G57-A70 PolarHBondContact N-O 2.93Å; G57-A70 VanDerWaalsContact N-O 3.14Å
58S95.4Very high94.5Very high57 Ų5749.4 Ų49.440%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-139.1163.3-17473.20000111A60 L61 L72S58-A60 PolarHBondContact O-N 3.25Å; S58-L61 PolarHBondContact N-O 3.32Å; S58-L61 CarbonylContact O-C 3.58Å; S58-L61 PolarHBondContact O-N 3.5Å; S58-L61 PolarHBondContact OG-N 3.24Å; S58-L72 VanDerWaalsContact C-CD2 3.5Å; S58-L72 WeakPolarHBondContact O-CD2 3.37Å
59C95.1Very high94.6Very high46 Ų4653.4 Ų53.431%0.31133%0.334SS..THydrogen-bonded Turntrans-52.3-35.5180-66.50000113.8W30 R62 C77 N79W30-C59 VanDerWaalsContact CD1-O 3.31Å; C59-R62 PolarHBondContact O-NE 2.99Å; C59-R62 PolarHBondContact O-NH2 3.27Å; C59-C77 WeakPolarHBondContact CA-SG 3.23Å; C59-C77 HydrophobicContact CB-CB 3.69Å; C59-C77 WeakPolarHBondContact CB-SG 3.48Å; C59-C77 WeakPolarHBondContact SG-CA 3.04Å; C59-C77 WeakPolarHBondContact SG-CB 3.41Å; C59-C77 CovalentContact SG-SG 2.04Å; C59-C77 PolarHBondContact SG-SG 2.59Å; C59-N79 VanDerWaalsContact C-ND2 3.32Å; C59-N79 WeakPolarHBondContact CB-OD1 3.21Å; C59-N79 PolarHBondContact O-ND2 2.98Å; C59-N79 PolarHBondContact O-OD1 3.41Å
60A94.3Very high94.8Very high38 Ų3851 Ų5131%0.31432%0.323SS..THydrogen-bonded Turntrans-93.6-2.2-179.100000115.1W30 S58W30-A60 VanDerWaalsContact CD1-C 3.49Å; W30-A60 PolarHBondContact NE1-O 2.92Å; S58-A60 PolarHBondContact O-N 3.25Å
61L94.6Very high95.1Very high103 Ų10351 Ų5154%0.53931%0.308SS..EExtended strand (participates in β ladder)trans-155.9107.7176.8-169.4167.4000109.2S58 Y63S58-L61 PolarHBondContact N-O 3.32Å; S58-L61 CarbonylContact O-C 3.58Å; S58-L61 PolarHBondContact O-N 3.5Å; S58-L61 PolarHBondContact OG-N 3.24Å; L61-Y63 HydrophobicContact CD2-CD1 3.7Å; L61-Y63 HydrophobicContact CD2-CE1 4.23Å
62R95.8Very high95.3Very high12 Ų1247.6 Ų47.65%0.04529%0.289CS..EExtended strand (participates in β ladder)trans-113.2145.7-178.7-43.9-174.2-172.4-1704.1110C27 H28 W30 F41 C56 C59 L72 N79C27-R62 HydrophobicContact CB-CB 4.32Å; H28-R62 WeakPolarHBondContact O-CD 3.4Å; H28-R62 PolarHBondContact O-NH1 2.77Å; H28-R62 VanDerWaalsContact O-NH1 3.08Å; W30-R62 HydrophobicContact CD2-CB 4.37Å; W30-R62 HydrophobicContact CD2-CG 3.75Å; W30-R62 HydrophobicContact CE3-CB 3.98Å; W30-R62 HydrophobicContact CE3-CG 3.68Å; W30-R62 HydrophobicContact CG-CG 4.35Å; W30-R62 HydrophobicContact CH2-CB 3.78Å; W30-R62 HydrophobicContact CH2-CG 4.24Å; W30-R62 WeakPolarHBondContact CH2-O 3.28Å; W30-R62 HydrophobicContact CZ2-CB 4.18Å; W30-R62 HydrophobicContact CZ2-CG 4.31Å; W30-R62 HydrophobicContact CZ3-CB 3.68Å; W30-R62 HydrophobicContact CZ3-CG 3.94Å; F41-R62 HydrophobicContact CZ-CB 4.43Å; C56-R62 WeakPolarHBondContact O-CA 3.31Å; C59-R62 PolarHBondContact O-NE 2.99Å; C59-R62 PolarHBondContact O-NH2 3.27Å; R62-L72 HydrophobicContact CB-CD2 4.47Å; R62-L72 HydrophobicContact CG-CD2 3.65Å; R62-N79 PolarHBondContact NH2-OD1 3.14Å
63Y95.3Very high95.3Very high108 Ų10852.3 Ų52.342%0.42431%0.314SS..EExtended strand (participates in β ladder)trans-156.5156.8177.760.5-82.1000110C56 L61 C65C56-Y63 HydrophobicContact CB-CD2 4.3Å; C56-Y63 HydrophobicContact CB-CE1 4.4Å; C56-Y63 HydrophobicContact CB-CE2 3.91Å; C56-Y63 PolarHBondContact N-O 3.01Å; C56-Y63 PolarHBondContact O-N 3.28Å; C56-Y63 VanDerWaalsContact O-N 3.09Å; L61-Y63 HydrophobicContact CD2-CD1 3.7Å; L61-Y63 HydrophobicContact CD2-CE1 4.23Å; Y63-C65 HydrophobicContact CD2-CB 4.2Å; Y63-C65 HydrophobicContact CE2-CB 3.87Å
64C96.4Very high95.2Very high11 Ų1151.6 Ų51.67%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-75.7138174.5-60.90000111.4F41 C43 D48 A52 V54F41-C64 WeakPolarHBondContact CE2-SG 3.38Å; C43-C64 WeakPolarHBondContact CA-SG 3.16Å; C43-C64 HydrophobicContact CB-CB 3.8Å; C43-C64 WeakPolarHBondContact CB-SG 3.12Å; C43-C64 WeakPolarHBondContact SG-CA 3.41Å; C43-C64 WeakPolarHBondContact SG-CB 3.23Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 3.41Å; D48-C64 VanDerWaalsContact OD2-CB 3.22Å; D48-C64 WeakPolarHBondContact OD2-CB 3.35Å; A52-C64 HydrophobicContact CB-CB 4.23Å; V54-C64 WeakPolarHBondContact O-CA 3.48Å
65C96Very high95Very high17 Ų1754.2 Ų54.212%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-149165.2172.691.90000112.8A52 T53 V54 C56 Y63 A67A52-C65 CarbonylContact C-O 3.58Å; A52-C65 VanDerWaalsContact CA-C 3.49Å; A52-C65 WeakPolarHBondContact CA-O 2.99Å; T53-C65 PolarHBondContact N-O 3.34Å; V54-C65 VanDerWaalsContact CB-O 3.28Å; V54-C65 WeakPolarHBondContact CB-O 3.2Å; V54-C65 PolarHBondContact N-O 3.01Å; V54-C65 PolarHBondContact O-N 2.82Å; C56-C65 HydrophobicContact CB-CB 3.73Å; C56-C65 WeakPolarHBondContact CB-SG 3.24Å; C56-C65 WeakPolarHBondContact SG-CB 3.42Å; C56-C65 CovalentContact SG-SG 2.03Å; C56-C65 PolarHBondContact SG-SG 3.43Å; Y63-C65 HydrophobicContact CD2-CB 4.2Å; Y63-C65 HydrophobicContact CE2-CB 3.87Å; C65-A67 PolarHBondContact SG-N 3.44Å; C65-A67 VanDerWaalsContact SG-N 3.38Å; C65-A67 PolarHBondContact SG-O 3.38Å; C65-A67 VanDerWaalsContact SG-O 3.39Å
66A95.4Very high94.8Very high53 Ų5359.2 Ų59.244%0.43837%0.368SS..SBendtrans-91.9-7.4176.200000112.9D51 A68D51-A66 HydrophobicContact CB-CB 4.22Å; D51-A66 WeakPolarHBondContact O-CA 3.35Å; D51-A66 WeakPolarHBondContact O-CB 3.3Å; A66-A68 PolarHBondContact O-N 2.91Å
67A94.6Very high94.7Very high40 Ų4059.8 Ų59.833%0.33137%0.372SS..  trans-91.596.4-172.500000111C65 D69 A70C65-A67 PolarHBondContact SG-N 3.44Å; C65-A67 VanDerWaalsContact SG-N 3.38Å; C65-A67 PolarHBondContact SG-O 3.38Å; C65-A67 VanDerWaalsContact SG-O 3.39Å; A67-D69 WeakPolarHBondContact CB-OD1 3.34Å; A67-D69 PolarHBondContact O-N 2.98Å; A67-D69 VanDerWaalsContact O-N 3.12Å; A67-A70 HydrophobicContact CB-CB 4.18Å; A67-A70 PolarHBondContact O-N 3.38Å
68A92.5Very high94.5Very high71 Ų7164.6 Ų64.659%0.58740%0.395SS*.THydrogen-bonded Turntrans-64.7-14.1-176.400000114.7A66 R71A66-A68 PolarHBondContact O-N 2.91Å; A68-R71 WeakPolarHBondContact O-CB 3.2Å
69D93.6Very high94.3Very high149 Ų14963.3 Ų63.380%0.79738%0.384SS*.THydrogen-bonded Turntrans-80.8-24.6171.560.3-42.4000113.3A67 R71A67-D69 WeakPolarHBondContact CB-OD1 3.34Å; A67-D69 PolarHBondContact O-N 2.98Å; A67-D69 VanDerWaalsContact O-N 3.12Å; D69-R71 VanDerWaalsContact C-N 3.28Å
70A94.9Very high93.6Very high38 Ų3864.7 Ų64.731%0.31439%0.388SS..SBendtrans-87.75.6171.600000113.3C56 G57 A67 L72C56-A70 VanDerWaalsContact CA-O 3.27Å; C56-A70 WeakPolarHBondContact CA-O 3.15Å; C56-A70 HydrophobicContact CB-CB 4.38Å; C56-A70 WeakPolarHBondContact CB-O 3.32Å; G57-A70 PolarHBondContact N-O 2.93Å; G57-A70 VanDerWaalsContact N-O 3.14Å; A67-A70 HydrophobicContact CB-CB 4.18Å; A67-A70 PolarHBondContact O-N 3.38Å; A70-L72 PolarHBondContact O-N 2.97Å
71R96.4Very high92.8Very high134 Ų13469.5 Ų69.551%0.50640%0.398SS..BIsolated β-bridgetrans-60128.3-179.7-176172.5-176-99.43.3111.7E25 V54 C55 A68 D69E25-R71 IonicContact OE1-CZ 3.12Å; E25-R71 IonicContact OE1-NE 2.74Å; E25-R71 PolarHBondContact OE1-NE 3.12Å; E25-R71 IonicContact OE1-NH2 2.67Å; E25-R71 PolarHBondContact OE1-NH2 2.74Å; E25-R71 IonicContact OE2-NE 3.23Å; E25-R71 PolarHBondContact OE2-NE 3.23Å; V54-R71 HydrophobicContact CG1-CB 3.6Å; V54-R71 HydrophobicContact CG1-CG 3.5Å; V54-R71 VanDerWaalsContact CG1-CG 3.5Å; C55-R71 WeakPolarHBondContact O-CA 3.22Å; A68-R71 WeakPolarHBondContact O-CB 3.2Å; D69-R71 VanDerWaalsContact C-N 3.28Å
72L96Very high91.4Very high18 Ų1873 Ų739%0.09441%0.412CS..  trans-83.2123176.1177.360000110.5C55 S58 R62 A70 Q74C55-L72 PolarHBondContact O-N 3.39Å; S58-L72 VanDerWaalsContact C-CD2 3.5Å; S58-L72 WeakPolarHBondContact O-CD2 3.37Å; R62-L72 HydrophobicContact CB-CD2 4.47Å; R62-L72 HydrophobicContact CG-CD2 3.65Å; A70-L72 PolarHBondContact O-N 2.97Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 HydrophobicContact CB-CG 4.46Å; L72-Q74 HydrophobicContact CD2-CG 4.1Å; L72-Q74 HydrophobicContact CG-CG 4.03Å; L72-Q74 PolarHBondContact O-N 2.03Å
73D95.4Very high89.6Confident103 Ų10376.9 Ų76.955%0.55144%0.436SS*.  trans-76.185166.6-168.8-3.8000110.4G75 V76D73-G75 PolarHBondContact O-N 3.02Å; D73-G75 VanDerWaalsContact O-N 3.13Å; D73-G75 PolarHBondContact OD1-N 3.4Å; D73-V76 HydrophobicContact CB-CG2 4.26Å; D73-V76 PolarHBondContact O-N 3.38Å; D73-V76 VanDerWaalsContact O-N 3.16Å
74Q93.2Very high87.4Confident33 Ų3378.5 Ų78.515%0.15445%0.452CS..G310 helixtrans-60.3-22.2-176.4-61.2-173.679.500113.4Y26 C55 L72 V76 C77Y26-Q74 PolarHBondContact O-NE2 2.92Å; C55-Q74 VanDerWaalsContact SG-CD 3.58Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 HydrophobicContact CB-CG 4.46Å; L72-Q74 HydrophobicContact CD2-CG 4.1Å; L72-Q74 HydrophobicContact CG-CG 4.03Å; L72-Q74 PolarHBondContact O-N 2.03Å; Q74-V76 PolarHBondContact O-N 2.79Å; Q74-C77 WeakPolarHBondContact O-CB 3.31Å; Q74-C77 PolarHBondContact O-N 2.78Å
75G91Very high85.1Confident73 Ų7383.6 Ų83.675%0.75348%0.479SS*.G310 helixtrans-73.6-10.7179.300000114.5D73D73-G75 PolarHBondContact O-N 3.02Å; D73-G75 VanDerWaalsContact O-N 3.13Å; D73-G75 PolarHBondContact OD1-N 3.4Å
76V93.4Very high82.9Confident106 Ų10687 Ų8764%0.64250%0.499SS*.G310 helixtrans-94.3-13.7175.7-176.70000111.6D73 Q74D73-V76 HydrophobicContact CB-CG2 4.26Å; D73-V76 PolarHBondContact O-N 3.38Å; D73-V76 VanDerWaalsContact O-N 3.16Å; Q74-V76 PolarHBondContact O-N 2.79Å
77C93.1Very high80.6Confident12 Ų1293.7 Ų93.78%0.08152%0.521CS..  trans-75.9142.5179.2-58.70000111.6C59 Q74C59-C77 WeakPolarHBondContact CA-SG 3.23Å; C59-C77 HydrophobicContact CB-CB 3.69Å; C59-C77 WeakPolarHBondContact CB-SG 3.48Å; C59-C77 WeakPolarHBondContact SG-CA 3.04Å; C59-C77 WeakPolarHBondContact SG-CB 3.41Å; C59-C77 CovalentContact SG-SG 2.04Å; C59-C77 PolarHBondContact SG-SG 2.59Å; Q74-C77 WeakPolarHBondContact O-CB 3.31Å; Q74-C77 PolarHBondContact O-N 2.78Å
78T91.8Very high78.5Confident135 Ų135100.5 Ų100.583%0.82854%0.544SS*.  trans-123.320.4-179.969.80000112.1
79N90.6Very high76.4Confident30 Ų30100 Ų10016%0.1654%0.539CS..  trans-119.315.5-176.373.3-45.1000111.6W30 L31 C59 R62W30-N79 CarbonylContact C-O 3.52Å; W30-N79 WeakPolarHBondContact CA-O 3.35Å; L31-N79 PolarHBondContact N-O 2.9Å; L31-N79 PolarHBondContact O-ND2 3.11Å; C59-N79 VanDerWaalsContact C-ND2 3.32Å; C59-N79 WeakPolarHBondContact CB-OD1 3.21Å; C59-N79 PolarHBondContact O-ND2 2.98Å; C59-N79 PolarHBondContact O-OD1 3.41Å; R62-N79 PolarHBondContact NH2-OD1 3.14Å
80D81.8Confident74.5Confident75 Ų7598.2 Ų98.240%0.40154%0.536SS..SBendtrans-55.1156.9155.453.2-63.3000110.1E82D80-E82 PolarHBondContact O-N 2.93Å
81R77.2Confident72.5Confident139 Ų139105 Ų10553%0.52556%0.561SS.*  trans-69.9108.3172.5170.1158.161.5-171.51.4107.6Y37 V83Y37-R81 HydrophobicContact CD2-CB 3.68Å; Y37-R81 VanDerWaalsContact CE1-CZ 3.49Å; Y37-R81 HydrophobicContact CE2-CB 3.32Å; Y37-R81 HydrophobicContact CE2-CG 4.41Å; R81-V83 VanDerWaalsContact O-CG2 3.24Å; R81-V83 WeakPolarHBondContact O-CG2 3.48Å; R81-V83 PolarHBondContact O-N 3.04Å
82E64Low70.8Confident177 Ų177101.9 Ų101.983%0.82756%0.558SS**  trans-42.8110168.1-77.3-174.1150.400108.2D80 D84D80-E82 PolarHBondContact O-N 2.93Å; E82-D84 PolarHBondContact O-N 3.01Å
83V58.2Low69.3Low92 Ų92107.6 Ų107.656%0.55859%0.587SS**  trans-8376.4-178.9-163.80000107.5R81 N85 T86R81-V83 VanDerWaalsContact O-CG2 3.24Å; R81-V83 WeakPolarHBondContact O-CG2 3.48Å; R81-V83 PolarHBondContact O-N 3.04Å; V83-N85 PolarHBondContact O-N 2.72Å; V83-T86 HydrophobicContact CB-CG2 4.45Å; V83-T86 WeakPolarHBondContact CB-OG1 3.36Å; V83-T86 HydrophobicContact CG1-CG2 3.38Å; V83-T86 WeakPolarHBondContact CG1-OG1 3.27Å; V83-T86 PolarHBondContact O-N 3.46Å
84D50.3Low67.9Low142 Ų142110.7 Ų110.776%0.75959%0.592SS**THydrogen-bonded Turntrans-49.7104.3166.7-171.472.1000107.6E82E82-D84 PolarHBondContact O-N 3.01Å
85N47.3Very low67.1Low119 Ų119112 Ų11264%0.63660%0.603SS**THydrogen-bonded Turntrans74.945.3177.7-57.6-81000119.5V83 E87 F88V83-N85 PolarHBondContact O-N 2.72Å; N85-E87 PolarHBondContact O-N 2.95Å; N85-F88 PolarHBondContact O-N 2.9Å
86T49.8Very low66.5Low87 Ų87112.3 Ų112.353%0.53459%0.592SS.*G310 helixtrans-82.622.2153.336.40000116V83 F88 A89V83-T86 HydrophobicContact CB-CG2 4.45Å; V83-T86 WeakPolarHBondContact CB-OG1 3.36Å; V83-T86 HydrophobicContact CG1-CG2 3.38Å; V83-T86 WeakPolarHBondContact CG1-OG1 3.27Å; V83-T86 PolarHBondContact O-N 3.46Å; T86-F88 PolarHBondContact O-N 3.41Å; T86-A89 PolarHBondContact O-N 2.82Å
87E46.7Very low65.9Low194 Ų194114.3 Ų114.391%0.90759%0.592SS**G310 helixtrans-63.3-12.5151-153.3160.8115.500111.1N85N85-E87 PolarHBondContact O-N 2.95Å
88F51.4Low65.4Low184 Ų184119.3 Ų119.381%0.80762%0.617SS**G310 helixtrans-11142.6168.2-116.7-93.4000114.1N85 T86 P90N85-F88 PolarHBondContact O-N 2.9Å; T86-F88 PolarHBondContact O-N 3.41Å; F88-P90 WeakPolarHBondContact O-CD 3.09Å
89A49Very low65Low59 Ų59118.3 Ų118.349%0.48860%0.604SS.*SBendtrans-52.1125.514700000107T86 Q91T86-A89 PolarHBondContact O-N 2.82Å; A89-Q91 PolarHBondContact O-N 3.03Å
90P52.6Low65.1Low112 Ų112121.8 Ų121.873%0.72763%0.626SS**  trans-68.987.1-172.526.7-34.4000109.3F88 P92F88-P90 WeakPolarHBondContact O-CD 3.09Å; P90-P92 WeakPolarHBondContact O-CA 3.44Å; P90-P92 WeakPolarHBondContact O-CD 3.44Å
91Q54.4Low65.5Low181 Ų181119.6 Ų119.685%0.84662%0.622SS**  trans-56.4105.8-178.6-163.4162.194.500106.2A89 I93A89-Q91 PolarHBondContact O-N 3.03Å; Q91-I93 PolarHBondContact O-N 2.67Å
92P60.2Low66.1Low69 Ų69116.1 Ų116.145%0.44862%0.619SS.*  trans-65.9124.9-153.1-17.723.3000108.8P90 Y94 V95P90-P92 WeakPolarHBondContact O-CA 3.44Å; P90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-Y94 PolarHBondContact O-N 2.96Å; P92-V95 HydrophobicContact CB-CG2 3.84Å; P92-V95 HydrophobicContact CG-CG2 3.71Å; P92-V95 PolarHBondContact O-N 3.35Å
93I62.9Low67.5Low137 Ų137112 Ų11270%0.70360%0.601SS**THydrogen-bonded Turntrans-54.6-19.5175.1-67.7167.9000110.4Q91 F97Q91-I93 PolarHBondContact O-N 2.67Å; I93-F97 VanDerWaalsContact O-CD2 3.24Å; I93-F97 WeakPolarHBondContact O-CD2 3.41Å; I93-F97 WeakPolarHBondContact O-CE2 3Å
94Y67.4Low69.2Low168 Ų168114.3 Ų114.366%0.65960%0.604SS**THydrogen-bonded Turntrans-79.8-18.4173.4-51.3-67.4000116.1P92 F97 L98P92-Y94 PolarHBondContact O-N 2.96Å; Y94-F97 CarbonylContact O-C 3.52Å; Y94-F97 PolarHBondContact O-N 3.14Å; Y94-F97 VanDerWaalsContact O-N 3.07Å; Y94-L98 WeakPolarHBondContact O-CG 3.06Å; Y94-L98 PolarHBondContact O-N 3.46Å
95V76.1Confident71.3Confident61 Ų61112.3 Ų112.337%0.3759%0.593SS.*Hα-helixtrans-56.8-46.3-178.6174.60000112.5P92 F97 L98 M99P92-V95 HydrophobicContact CB-CG2 3.84Å; P92-V95 HydrophobicContact CG-CG2 3.71Å; P92-V95 PolarHBondContact O-N 3.35Å; V95-F97 VanDerWaalsContact C-N 3.29Å; V95-F97 PolarHBondContact O-N 2.84Å; V95-L98 PolarHBondContact O-N 2.83Å; V95-M99 HydrophobicContact CG1-CG 4.32Å; V95-M99 WeakPolarHBondContact O-CB 3.41Å; V95-M99 WeakPolarHBondContact O-CG 3.35Å; V95-M99 PolarHBondContact O-N 2.96Å
96P79.2Confident73.4Confident80 Ų80109 Ų10952%0.51958%0.582SS.*Hα-helixtrans-60.9-37.8175.9-23.735.5000112.6M99 V100P96-M99 PolarHBondContact O-N 3.35Å; P96-V100 WeakPolarHBondContact O-CG2 3.1Å; P96-V100 PolarHBondContact O-N 2.04Å
97F79.6Confident75.6Confident147 Ų147112 Ų11265%0.64559%0.587SS**Hα-helixtrans-71-36.8177.6-62.8-81.3000112.5I93 Y94 V95 G101I93-F97 VanDerWaalsContact O-CD2 3.24Å; I93-F97 WeakPolarHBondContact O-CD2 3.41Å; I93-F97 WeakPolarHBondContact O-CE2 3Å; Y94-F97 CarbonylContact O-C 3.52Å; Y94-F97 PolarHBondContact O-N 3.14Å; Y94-F97 VanDerWaalsContact O-N 3.07Å; V95-F97 VanDerWaalsContact C-N 3.29Å; V95-F97 PolarHBondContact O-N 2.84Å; F97-G101 WeakPolarHBondContact O-CA 3.5Å; F97-G101 PolarHBondContact O-N 2.04Å
98L83.1Confident77.9Confident118 Ų118106.1 Ų106.162%0.61857%0.565SS**Hα-helixtrans-68.1-38.2173.9-68.7173.1000111.4Y94 V95 S102Y94-L98 WeakPolarHBondContact O-CG 3.06Å; Y94-L98 PolarHBondContact O-N 3.46Å; V95-L98 PolarHBondContact O-N 2.83Å; L98-S102 VanDerWaalsContact O-CB 3.23Å; L98-S102 WeakPolarHBondContact O-CB 3.35Å; L98-S102 PolarHBondContact O-N 3.44Å; L98-S102 PolarHBondContact O-OG 3.47Å
99M83.2Confident80Confident113 Ų113101.9 Ų101.956%0.55755%0.55SS*.Hα-helixtrans-62.4-54.2172.1-73.5-67.4-177.700111.1V95 P96 G101 S102 I103V95-M99 HydrophobicContact CG1-CG 4.32Å; V95-M99 WeakPolarHBondContact O-CB 3.41Å; V95-M99 WeakPolarHBondContact O-CG 3.35Å; V95-M99 PolarHBondContact O-N 2.96Å; P96-M99 PolarHBondContact O-N 3.35Å; M99-G101 VanDerWaalsContact C-N 3.35Å; M99-G101 PolarHBondContact O-N 2.86Å; M99-S102 PolarHBondContact O-N 2.82Å; M99-S102 PolarHBondContact O-OG 2.89Å; M99-I103 WeakPolarHBondContact O-CB 3.35Å; M99-I103 WeakPolarHBondContact O-CD1 3.34Å; M99-I103 WeakPolarHBondContact O-CG1 3.39Å; M99-I103 PolarHBondContact O-N 3.26Å
100V92.9Very high82.1Confident103 Ų103103.2 Ų103.262%0.62455%0.551SS**Hα-helixtrans-62.5-41.6179.4173.60000111.7P96 F104P96-V100 WeakPolarHBondContact O-CG2 3.1Å; P96-V100 PolarHBondContact O-N 2.04Å; V100-F104 VanDerWaalsContact O-CB 3.31Å; V100-F104 WeakPolarHBondContact O-CB 3.44Å; V100-F104 PolarHBondContact O-N 3.39Å
101G90Very high84.1Confident29 Ų2999.8 Ų99.830%0.29954%0.537SS..Hα-helixtrans-65-46.6178.900000113.2F97 M99 F104 I105F97-G101 WeakPolarHBondContact O-CA 3.5Å; F97-G101 PolarHBondContact O-N 2.04Å; M99-G101 VanDerWaalsContact C-N 3.35Å; M99-G101 PolarHBondContact O-N 2.86Å; G101-F104 PolarHBondContact O-N 3.4Å; G101-I105 WeakPolarHBondContact O-CD1 3.22Å; G101-I105 VanDerWaalsContact O-CG1 3.26Å; G101-I105 WeakPolarHBondContact O-CG1 3.47Å; G101-I105 PolarHBondContact O-N 2.99Å
102S89.6Confident85.9Confident66 Ų6694.2 Ų94.246%0.46252%0.517SS..Hα-helixtrans-65.5-41.7177.357.90000112.2L98 M99 I105 A106L98-S102 VanDerWaalsContact O-CB 3.23Å; L98-S102 WeakPolarHBondContact O-CB 3.35Å; L98-S102 PolarHBondContact O-N 3.44Å; L98-S102 PolarHBondContact O-OG 3.47Å; M99-S102 PolarHBondContact O-N 2.82Å; M99-S102 PolarHBondContact O-OG 2.89Å; S102-I105 PolarHBondContact O-N 3.07Å; S102-A106 WeakPolarHBondContact O-CB 3.47Å; S102-A106 PolarHBondContact O-N 2.96Å
103I92.7Very high87.3Confident90 Ų9096.5 Ų96.546%0.46253%0.525SS..Hα-helixtrans-60.8-45.2174.4-69.6167000110.9M99 A106 F107M99-I103 WeakPolarHBondContact O-CB 3.35Å; M99-I103 WeakPolarHBondContact O-CD1 3.34Å; M99-I103 WeakPolarHBondContact O-CG1 3.39Å; M99-I103 PolarHBondContact O-N 3.26Å; I103-A106 PolarHBondContact O-N 3.35Å; I103-F107 HydrophobicContact CG2-CD2 3.69Å; I103-F107 HydrophobicContact CG2-CE2 3.36Å; I103-F107 HydrophobicContact CG2-CZ 4.4Å; I103-F107 WeakPolarHBondContact O-CD2 2.91Å; I103-F107 PolarHBondContact O-N 3.09Å
104F95.1Very high88.8Confident141 Ų14193.9 Ų93.962%0.61852%0.516SS*.Hα-helixtrans-60.8-47.7176.9178.3-99.9000112.1V100 G101 A106 F107 V108V100-F104 VanDerWaalsContact O-CB 3.31Å; V100-F104 WeakPolarHBondContact O-CB 3.44Å; V100-F104 PolarHBondContact O-N 3.39Å; G101-F104 PolarHBondContact O-N 3.4Å; F104-A106 VanDerWaalsContact C-N 3.33Å; F104-A106 PolarHBondContact O-N 3.16Å; F104-F107 PolarHBondContact O-N 2.87Å; F104-V108 HydrophobicContact CD1-CG2 4.33Å; F104-V108 HydrophobicContact CE1-CG2 3.94Å; F104-V108 HydrophobicContact CE2-CG2 4.34Å; F104-V108 HydrophobicContact CZ-CG2 3.94Å; F104-V108 WeakPolarHBondContact O-CG2 3.31Å; F104-V108 PolarHBondContact O-N 2.8Å
105I94.6Very high89.9Confident101 Ų10188.4 Ų88.452%0.51851%0.505SS..Hα-helixtrans-61.4-42.3177.7-67.7165000110.8G101 S102 F107 V108 I109G101-I105 WeakPolarHBondContact O-CD1 3.22Å; G101-I105 VanDerWaalsContact O-CG1 3.26Å; G101-I105 WeakPolarHBondContact O-CG1 3.47Å; G101-I105 PolarHBondContact O-N 2.99Å; S102-I105 PolarHBondContact O-N 3.07Å; I105-F107 PolarHBondContact O-N 3.04Å; I105-V108 PolarHBondContact O-N 3.33Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 WeakPolarHBondContact O-CG1 3.13Å; I105-I109 PolarHBondContact O-N 3.13Å
106A91.9Very high90.6Very high49 Ų4989.7 Ų89.741%0.40551%0.513SS..Hα-helixtrans-60-45.7176.400000112S102 I103 F104 V108 I109 V110S102-A106 WeakPolarHBondContact O-CB 3.47Å; S102-A106 PolarHBondContact O-N 2.96Å; I103-A106 PolarHBondContact O-N 3.35Å; F104-A106 VanDerWaalsContact C-N 3.33Å; F104-A106 PolarHBondContact O-N 3.16Å; A106-V108 PolarHBondContact O-N 3.12Å; A106-I109 PolarHBondContact O-N 2.86Å; A106-V110 WeakPolarHBondContact O-CB 3.43Å; A106-V110 WeakPolarHBondContact O-CG2 3.24Å; A106-V110 PolarHBondContact O-N 2.79Å
107F95.4Very high90.9Very high149 Ų14993.4 Ų93.465%0.65452%0.518SS*.Hα-helixtrans-64.6-38.2175.9-75.1-54.1000113.2I103 F104 I105 G111I103-F107 HydrophobicContact CG2-CD2 3.69Å; I103-F107 HydrophobicContact CG2-CE2 3.36Å; I103-F107 HydrophobicContact CG2-CZ 4.4Å; I103-F107 WeakPolarHBondContact O-CD2 2.91Å; I103-F107 PolarHBondContact O-N 3.09Å; F104-F107 PolarHBondContact O-N 2.87Å; I105-F107 PolarHBondContact O-N 3.04Å; F107-G111 PolarHBondContact O-N 3.33Å
108V95.4Very high91.2Very high72 Ų7289 Ų8944%0.43651%0.505SS..Hα-helixtrans-62.3-43.2175.1170.40000110.9F104 I105 A106 S112F104-V108 HydrophobicContact CD1-CG2 4.33Å; F104-V108 HydrophobicContact CE1-CG2 3.94Å; F104-V108 HydrophobicContact CE2-CG2 4.34Å; F104-V108 HydrophobicContact CZ-CG2 3.94Å; F104-V108 WeakPolarHBondContact O-CG2 3.31Å; F104-V108 PolarHBondContact O-N 2.8Å; I105-V108 PolarHBondContact O-N 3.33Å; A106-V108 PolarHBondContact O-N 3.12Å; V108-S112 VanDerWaalsContact O-CB 3.23Å; V108-S112 WeakPolarHBondContact O-CB 3.46Å; V108-S112 PolarHBondContact O-N 2.04Å; V108-S112 PolarHBondContact O-OG 3.32Å
109I94.1Very high91.3Very high95 Ų9587.3 Ų87.349%0.48750%0.502SS..Hα-helixtrans-66.4-51.8178.2-66.8167.3000110.8I105 A106 S112 L113I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 WeakPolarHBondContact O-CG1 3.13Å; I105-I109 PolarHBondContact O-N 3.13Å; A106-I109 PolarHBondContact O-N 2.86Å; I109-S112 PolarHBondContact O-N 3.3Å; I109-L113 HydrophobicContact CG2-CD1 4.1Å; I109-L113 WeakPolarHBondContact O-CG 3.05Å; I109-L113 PolarHBondContact O-N 3.04Å
110V94.1Very high91.1Very high86 Ų8686 Ų8652%0.52150%0.5SS..Hα-helixtrans-62.9-45.5-179173.30000111.3A106 S112 L113 V114A106-V110 WeakPolarHBondContact O-CB 3.43Å; A106-V110 WeakPolarHBondContact O-CG2 3.24Å; A106-V110 PolarHBondContact O-N 2.79Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 3.04Å; V110-L113 PolarHBondContact O-N 2.89Å; V110-V114 WeakPolarHBondContact O-CG2 3.44Å; V110-V114 PolarHBondContact O-N 3.37Å
111G93.7Very high90.1Very high41 Ų4184.6 Ų84.642%0.42349%0.494SS..Hα-helixtrans-61.1-39.9176.600000112.6F107 V114 A115F107-G111 PolarHBondContact O-N 3.33Å; G111-V114 PolarHBondContact O-N 3.48Å; G111-A115 WeakPolarHBondContact O-CB 3.02Å; G111-A115 PolarHBondContact O-N 3.5Å
112S92.7Very high89Confident63 Ų6389.8 Ų89.844%0.44151%0.514SS..Hα-helixtrans-66.1-41.1175-60.80000112.2V108 I109 V110 A115 V116V108-S112 VanDerWaalsContact O-CB 3.23Å; V108-S112 WeakPolarHBondContact O-CB 3.46Å; V108-S112 PolarHBondContact O-N 2.04Å; V108-S112 PolarHBondContact O-OG 3.32Å; I109-S112 PolarHBondContact O-N 3.3Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 3.04Å; S112-A115 PolarHBondContact O-N 3.08Å; S112-V116 WeakPolarHBondContact O-CB 3.39Å; S112-V116 WeakPolarHBondContact O-CG2 3.45Å; S112-V116 PolarHBondContact O-N 3.35Å
113L90.1Very high87.6Confident117 Ų11796 Ų9661%0.61353%0.527SS*.Hα-helixtrans-63.1-44175.6-73171.4000111.7I109 V110 V116 Y117I109-L113 HydrophobicContact CG2-CD1 4.1Å; I109-L113 WeakPolarHBondContact O-CG 3.05Å; I109-L113 PolarHBondContact O-N 3.04Å; V110-L113 PolarHBondContact O-N 2.89Å; L113-V116 PolarHBondContact O-N 3.32Å; L113-Y117 VanDerWaalsContact O-CB 3.31Å; L113-Y117 WeakPolarHBondContact O-CB 3.46Å; L113-Y117 PolarHBondContact O-N 2.79Å
114V93.7Very high85.9Confident82 Ų8297.2 Ų97.250%0.49754%0.542SS..Hα-helixtrans-63-45.2174.8173.50000110.8V110 G111 V116 Y117 C118V110-V114 WeakPolarHBondContact O-CG2 3.44Å; V110-V114 PolarHBondContact O-N 3.37Å; G111-V114 PolarHBondContact O-N 3.48Å; V114-V116 VanDerWaalsContact C-N 3.35Å; V114-V116 PolarHBondContact O-N 2.99Å; V114-Y117 PolarHBondContact O-N 2.88Å; V114-C118 WeakPolarHBondContact O-CB 3.43Å; V114-C118 PolarHBondContact O-N 3Å; V114-C118 PolarHBondContact O-SG 3.5Å; V114-C118 VanDerWaalsContact O-SG 3.33Å
115A90.4Very high83.7Confident53 Ų53100 Ų10044%0.43855%0.553SS.*Hα-helixtrans-59.7-43.9177.100000111.8G111 S112 C119G111-A115 WeakPolarHBondContact O-CB 3.02Å; G111-A115 PolarHBondContact O-N 3.5Å; S112-A115 PolarHBondContact O-N 3.08Å; A115-C119 VanDerWaalsContact O-CB 3.22Å; A115-C119 WeakPolarHBondContact O-CB 3.08Å; A115-C119 PolarHBondContact O-N 2.68Å; A115-C119 PolarHBondContact O-SG 2.93Å
116V90.6Very high81.7Confident89 Ų89103.2 Ų103.254%0.53957%0.566SS.*Hα-helixtrans-67.8-40.1176172.10000111.7S112 L113 V114 C119 T120S112-V116 WeakPolarHBondContact O-CB 3.39Å; S112-V116 WeakPolarHBondContact O-CG2 3.45Å; S112-V116 PolarHBondContact O-N 3.35Å; L113-V116 PolarHBondContact O-N 3.32Å; V114-V116 VanDerWaalsContact C-N 3.35Å; V114-V116 PolarHBondContact O-N 2.99Å; V116-C119 CarbonylContact O-C 3.34Å; V116-C119 PolarHBondContact O-N 3.49Å; V116-T120 HydrophobicContact CG1-CG2 4.18Å; V116-T120 WeakPolarHBondContact O-CB 3.49Å; V116-T120 VanDerWaalsContact O-CG2 3.31Å; V116-T120 WeakPolarHBondContact O-CG2 3.25Å; V116-T120 PolarHBondContact O-N 2.85Å; V116-T120 PolarHBondContact O-OG1 3.08Å
117Y86.3Confident79.6Confident157 Ų157106.3 Ų106.362%0.61658%0.582SS**Hα-helixtrans-61.9-51.8175.8-177.1-100.8000111.1L113 V114 C119 T120 C121L113-Y117 VanDerWaalsContact O-CB 3.31Å; L113-Y117 WeakPolarHBondContact O-CB 3.46Å; L113-Y117 PolarHBondContact O-N 2.79Å; V114-Y117 PolarHBondContact O-N 2.88Å; Y117-C119 VanDerWaalsContact C-N 3.33Å; Y117-C119 PolarHBondContact O-N 2.75Å; Y117-T120 PolarHBondContact O-N 3.29Å; Y117-T120 VanDerWaalsContact O-N 3.12Å; Y117-T120 PolarHBondContact O-OG1 3.02Å; Y117-C121 WeakPolarHBondContact CE2-SG 3.4Å; Y117-C121 VanDerWaalsContact CZ-SG 3.59Å; Y117-C121 VanDerWaalsContact O-CB 3.31Å; Y117-C121 WeakPolarHBondContact O-CB 3.29Å; Y117-C121 PolarHBondContact O-N 2.92Å; Y117-C121 PolarHBondContact O-SG 2.75Å
118C86.6Confident77.2Confident55 Ų55105 Ų10537%0.37259%0.587SS.*Hα-helixtrans-57-45.7173-66.70000111.5V114 T120 L122V114-C118 WeakPolarHBondContact O-CB 3.43Å; V114-C118 PolarHBondContact O-N 3Å; V114-C118 PolarHBondContact O-SG 3.5Å; V114-C118 VanDerWaalsContact O-SG 3.33Å; C118-T120 VanDerWaalsContact C-N 3.3Å; C118-T120 PolarHBondContact O-N 2.87Å; C118-L122 HydrophobicContact CB-CD1 4.35Å; C118-L122 WeakPolarHBondContact O-CB 3.37Å; C118-L122 VanDerWaalsContact O-CG 3.22Å; C118-L122 WeakPolarHBondContact O-CG 3.46Å; C118-L122 PolarHBondContact O-N 2.8Å
119C85.1Confident74.9Confident82 Ų82109.5 Ų109.555%0.55460%0.603SS**Hα-helixtrans-66.9-24.6177.9-70.40000114.1A115 V116 Y117 R123A115-C119 VanDerWaalsContact O-CB 3.22Å; A115-C119 WeakPolarHBondContact O-CB 3.08Å; A115-C119 PolarHBondContact O-N 2.68Å; A115-C119 PolarHBondContact O-SG 2.93Å; V116-C119 CarbonylContact O-C 3.34Å; V116-C119 PolarHBondContact O-N 3.49Å; Y117-C119 VanDerWaalsContact C-N 3.33Å; Y117-C119 PolarHBondContact O-N 2.75Å; C119-R123 WeakPolarHBondContact O-CB 3.24Å; C119-R123 WeakPolarHBondContact O-CG 3.11Å
120T77.4Confident72.2Confident85 Ų85113.7 Ų113.752%0.52162%0.62SS.*Hα-helixtrans-95.7-32.6-178.9500000112.9V116 Y117 C118V116-T120 HydrophobicContact CG1-CG2 4.18Å; V116-T120 WeakPolarHBondContact O-CB 3.49Å; V116-T120 VanDerWaalsContact O-CG2 3.31Å; V116-T120 WeakPolarHBondContact O-CG2 3.25Å; V116-T120 PolarHBondContact O-N 2.85Å; V116-T120 PolarHBondContact O-OG1 3.08Å; Y117-T120 PolarHBondContact O-N 3.29Å; Y117-T120 VanDerWaalsContact O-N 3.12Å; Y117-T120 PolarHBondContact O-OG1 3.02Å; C118-T120 VanDerWaalsContact C-N 3.3Å; C118-T120 PolarHBondContact O-N 2.87Å
121C73.8Confident70.6Confident74 Ų74114.1 Ų114.150%0.563%0.625SS.*Hα-helixtrans-81.5-30.5175-64.60000112.9Y117Y117-C121 WeakPolarHBondContact CE2-SG 3.4Å; Y117-C121 VanDerWaalsContact CZ-SG 3.59Å; Y117-C121 VanDerWaalsContact O-CB 3.31Å; Y117-C121 WeakPolarHBondContact O-CB 3.29Å; Y117-C121 PolarHBondContact O-N 2.92Å; Y117-C121 PolarHBondContact O-SG 2.75Å
122L65.8Low68.4Low138 Ų138119.4 Ų119.472%0.72364%0.642SS**SBendtrans-91.8-4.9175.8-55.8175000113.4C118 P124C118-L122 HydrophobicContact CB-CD1 4.35Å; C118-L122 WeakPolarHBondContact O-CB 3.37Å; C118-L122 VanDerWaalsContact O-CG 3.22Å; C118-L122 WeakPolarHBondContact O-CG 3.46Å; C118-L122 PolarHBondContact O-N 2.8Å; L122-P124 WeakPolarHBondContact O-CD 3.32Å
123R60Low66.2Low196 Ų196126.6 Ų126.674%0.7466%0.659SS**SBendtrans-68.3112.6165-87.8-83.6173.7161.3-0.1107.7C119 K125C119-R123 WeakPolarHBondContact O-CB 3.24Å; C119-R123 WeakPolarHBondContact O-CG 3.11Å; R123-K125 PolarHBondContact O-N 3.04Å
124P56.5Low64Low117 Ų117130.3 Ų130.376%0.7667%0.671SS**  trans-60.6128178-19.733.8000108.1L122 Q126L122-P124 WeakPolarHBondContact O-CD 3.32Å; P124-Q126 PolarHBondContact O-N 2.9Å
125K49Very low61.4Low199 Ų199131.9 Ų131.987%0.86569%0.685SS**  trans-62.699.4175.4-170.7177-173.8176.10107.4R123R123-K125 PolarHBondContact O-N 3.04Å
126Q53.1Low59.3Low169 Ų169136.8 Ų136.879%0.7970%0.703SS**PPolyproline II helixtrans-54.6126.3176.8-176.3177.1-2.200107.7P124 T128P124-Q126 PolarHBondContact O-N 2.9Å; Q126-T128 PolarHBondContact O-N 2.86Å
127P47.8Very low57.5Low114 Ų114143.8 Ų143.874%0.7472%0.72SS**PPolyproline II helixtrans-60.3134177.824.7-32.9000108.8Q129P127-Q129 PolarHBondContact O-N 3.36Å; P127-Q129 VanDerWaalsContact O-N 3.16Å
128T45.5Very low55.6Low121 Ų121141.8 Ų141.874%0.74273%0.729SS**PPolyproline II helixtrans-61.1117.2-173.8-45.20000110.6Q126Q126-T128 PolarHBondContact O-N 2.86Å
129Q47.8Very low53.6Low166 Ų166145.4 Ų145.478%0.77675%0.754SS**  trans39.8116.7158.4-64.9172.7-49.900118.9P127P127-Q129 PolarHBondContact O-N 3.36Å; P127-Q129 VanDerWaalsContact O-N 3.16Å
130Q36.6Very low51.4Low183 Ų183150.1 Ų150.186%0.85577%0.767SS**  -147154.1115.7-85.5-65.8-22.300107.6
131P59.3Low49.9Very low96 Ų96148.8 Ų148.862%0.62377%0.771SS**  trans-91.9179.9-169.237.5-34.5000113.3
132I47.9Very low48.7Very low151 Ų151154.8 Ų154.877%0.77479%0.791SS**  trans91.598.9165-52.8160000116.6
133R47.8Very low47.8Very low215 Ų215154.1 Ų154.181%0.81179%0.793SS**  trans58.2153.8147.5-70.8-166174.4-1651.2121.3
134F43.6Very low47.7Very low194 Ų194153 Ų15385%0.85180%0.8SS**  trans66.294172.1-66.4-80.4000117.4
135S37.9Very low47.1Very low115 Ų115152.3 Ų152.380%0.80480%0.796SS**  -162.9117104.1-164.60000111.2R137S135-R137 PolarHBondContact O-N 3.43Å
136L47.4Very low46.5Very low156 Ų156150.4 Ų150.482%0.81779%0.792SS**  trans-90.688.1177.6-173.7162.8000107.9
137R53Low45.9Very low237 Ų237148.7 Ų148.789%0.89479%0.787SS**  trans-167.174.8171.5-123.7173.4-176.8168.90.8115.8S135S135-R137 PolarHBondContact O-N 3.43Å
138S45.7Very low45.2Very low114 Ų114150.3 Ų150.380%0.79779%0.789SS**SBendtrans-165.9141.9140.3-155.90000109.5
139C45.4Very low44.8Very low132 Ų132149.9 Ų149.989%0.89279%0.786SS**SBendtrans62.451.4177.4-54.50000117
140Q38.6Very low44.1Very low180 Ų180149 Ų14984%0.84179%0.792SS**  trans-125.3121.5144.4-155.7-175.556.900105
141G44.8Very low44.1Very low57 Ų57144.6 Ų144.659%0.58879%0.787SS**  cis109.282.638.600000105.2T143G141-T143 PolarHBondContact O-N 3.21Å
142E49.1Very low43.9Very low200 Ų200145.6 Ų145.694%0.93579%0.793SS**  trans-77.484.8-160.9-167.6175136.400112
143T46Very low43.7Very low125 Ų125144.1 Ų144.177%0.76779%0.794SS**  trans-142.8114.8172.455.30000112.2G141G141-T143 PolarHBondContact O-N 3.21Å
144I57.8Low42.9Very low172 Ų172138.5 Ų138.588%0.88279%0.787SS**  trans-73.8124.5175.1-67.6165.1000110.2
145P44.9Very low42.5Very low103 Ų103136.3 Ų136.367%0.66978%0.784SS**  -132.5171.4109.111.411.6000111.9
146M36.4Very low42.5Very low158 Ų158141.1 Ų141.178%0.77878%0.784SS**  cis-160.8168.2-2.9-117.6172.3-178.400110.3
147I40.6Very low41.9Very low134 Ų134137.8 Ų137.869%0.68778%0.779SS**  trans18.2124.7143.4-46.3157.9000117
148L33.6Very low41.5Very low148 Ų148132.6 Ų132.678%0.77578%0.776SS**  -165.2132.164.5-170.959.7000115.2
149T35.7Very low41.2Very low112 Ų112132.1 Ų132.169%0.68777%0.773SS**  trans12.9125.5147.1-52.50000123.2
150T33.4Very low40.7Very low147 Ų147136.2 Ų136.290%0.90277%0.769SS**  -150.6149.7114.844.80000110
151A37.1Very low40.6Very low91 Ų91134.6 Ų134.675%0.75276%0.762SS**  trans-126.8-161.5-16100000114.1
152P55Low40.3Very low117 Ų117137 Ų13776%0.7677%0.77SS**  -120.7-168.2-111.842.5-23.5000113.3
153P44.3Very low39.9Very low120 Ų120133.6 Ų133.678%0.77977%0.768SS**  -153.4170.681.640.7-21.2000118
154S30.9Very low39.5Very low96 Ų96134 Ų13467%0.67177%0.77SS**  trans95.1115.6141.2-139.20000121.3
155L35.4Very low38.7Very low149 Ų149129.6 Ų129.678%0.7876%0.76SS**  trans63.5130.8152-57.5161.2000116.8
156R37.9Very low38.5Very low216 Ų216130.7 Ų130.782%0.81577%0.765SS**  cis-162.9140.922.7-154.5-176.2-173.195.8-2.9109.3
157A34.3Very low38.5Very low86 Ų86129.9 Ų129.971%0.71177%0.769SS**  trans-83.7156.716000000109.6
158P45.4Very low38.3Very low127 Ų127128.6 Ų128.683%0.82577%0.772SS**  -138.7173.593.837.6-24.4000115.1
159S38Very low38.7Very low105 Ų105126.2 Ų126.273%0.73477%0.768SS**  trans-91.6-173.6-17449.20000113.7
160R36.2Very low38.9Very low217 Ų217126.3 Ų126.382%0.81977%0.773SS**  trans90.6152170.3-62.8-170.9-178.1-109.69.4116.4
161Q35.9Very low39.3Very low147 Ų147124.3 Ų124.369%0.68777%0.765SS**  cis-170.4148.7-24.6177.9169.1-700107.1
162S38.7Very low39.5Very low108 Ų108125.1 Ų125.176%0.75577%0.772SS**  trans-58.7146.5175.6-39.20000113.1
163S41Very low38.7Very low128 Ų128123.1 Ų123.190%0.89577%0.772SS**  trans-163.9158148.1-102.60000112.3
164T37.4Very low38.2Very low132 Ų132121.7 Ų121.781%0.8178%0.779SS**  trans-129.5151.9-164.4-50.70000109.9
165A40.4Very low38.3Very low80 Ų80120.4 Ų120.466%0.66178%0.781SS**  trans66162.5160.700000116.6
166T40.9Very low38.5Very low127 Ų127119.5 Ų119.578%0.77979%0.787SS**  cis-172.1150.5-15.527.70000107.8
167T35.5Very low38.5Very low141 Ų141113.7 Ų113.787%0.86578%0.78SS**  trans-176.1151.6145.228.40000106.7
168S37.3Very low38.7Very low106 Ų106115 Ų11574%0.74178%0.779SS**  cis-171.9158.30.136.30000106.2
169S42Very low38.3Very low99 Ų99120.6 Ų120.669%0.69278%0.784SS**  cis-177.3155.7-0.141.40000110.9
170S39.3Very low38.3Very low114 Ų114125.2 Ų125.280%0.79779%0.785SS**  trans71.9144.2150.7-57.90000120.4
171S41.8Very low38.2Very low105 Ų105123.5 Ų123.573%0.73478%0.784SS**  cis-172.2142.4-10.7450000113.4
172A42.3Very low38.2Very low108 Ų108121.5 Ų121.589%0.89379%0.786SS**  trans57.7143152.300000121.4
173G36.8Very low38Very low75 Ų75125 Ų12577%0.77380%0.796SS**  cis164.4147.8-9.300000114.8
174G34.3Very low37.4Very low89 Ų89122.2 Ų122.292%0.91879%0.787SS**  trans83.4135.6164.100000117.3
175G34.4Very low37.1Very low70 Ų70120.7 Ų120.772%0.72279%0.788SS**  cis161.2140.6-10.300000112.7
176S37.9Very low36.5Very low129 Ų129122.6 Ų122.690%0.90280%0.796SS**  trans43.9152.5149.9-680000122.1
177S38.4Very low36Very low94 Ų94120.5 Ų120.566%0.65779%0.792SS**  cis-171.4154.3-15.4-176.10000108.7
178T39.3Very low35.8Very low115 Ų115121.2 Ų121.271%0.70679%0.786SS**  trans10.613315961.50000121.4
179R36.5Very low35.4Very low244 Ų244123.1 Ų123.192%0.92178%0.783SS**  -177.2152.6102.4-96.1178-151.6-1054.4113.1
180R37.6Very low34.8Very low202 Ų202124.6 Ų124.676%0.76278%0.779SS**  trans-79.7151.2168.8-64.6178.9178.7-171.91.5111.1
181F33.9Very low34.3Very low180 Ų180125.6 Ų125.679%0.78977%0.771SS**  163.2149.1101.5-91.5-69.7000111.6
182S36.3Very low33.8Very low106 Ų106128.9 Ų128.974%0.74177%0.774SS**  trans-84.6158.1179.8-36.60000113
183L34.1Very low33.1Very low181 Ų181126.9 Ų126.995%0.94876%0.764SS**  trans169.4149.2135.4-94156.7000113.1
184G29.6Very low32.9Very low70 Ų70129.2 Ų129.272%0.72277%0.767SS**  trans76.8110163.400000115.8
185A30.4Very low32.8Very low100 Ų100132 Ų13283%0.82676%0.761SS**  83.5139.351.300000115.1
186S28.3Very low32.9Very low119 Ų119135.3 Ų135.383%0.83277%0.766SS**  trans84.1109.5166.566.60000121.5
187A30.6Very low32.4Very low84 Ų84134.2 Ų134.269%0.69475%0.754SS**  92.1137.311900000123.4
188Q30.2Very low32.2Very low156 Ų156134.6 Ų134.673%0.72976%0.763SS**  trans72.8113.7146.3-82.4-175.8-71.400119.8
189Q29.4Very low31.9Very low145 Ų145134.8 Ų134.868%0.67876%0.764SS**  85.7145.9101.5-110.6166.8-97.900112
190Q29.3Very low31.9Very low130 Ų130130.3 Ų130.361%0.60776%0.764SS**  cis-160161.79.1-164.5158.4-17.100110.3
191Q29Very low31.7Very low136 Ų136125.8 Ų125.864%0.63676%0.763SS**  trans0147.4159.2-54.7163.5-70.300119
192H31.6Very low31.7Very low173 Ų173122 Ų12280%0.80176%0.759SS**  cis-160177.842.2-58.276000109.3
193G28.3Very low31.6Very low66 Ų66122 Ų12268%0.6876%0.759SS**  cis146.3126.9-9.800000113.9
194C31.2Very low31.7Very low125 Ų125118.5 Ų118.585%0.84576%0.756SS**  trans67.9145170.9-62.70000118.1
195L32.9Very low32.1Very low148 Ų148120.3 Ų120.378%0.77576%0.758SS**  cis-153.6155.9-10.1-94.7154.8000105.1
196V35.9Very low32.5Very low138 Ų138122 Ų12284%0.83676%0.758SS**  -169.9147.877.8161.50000109.9
197T28.5Very low33.2Very low106 Ų106121.8 Ų121.865%0.6575%0.754SS**  trans-69.1139.9-179.5-46.40000115.3T199T197-T199 HydrophobicContact CG2-CG2 3.96Å
198A34.4Very low33.3Very low103 Ų103124.5 Ų124.585%0.85176%0.762SS**  trans-144.811614500000109.8
199T31.5Very low33.6Very low118 Ų118125.6 Ų125.672%0.72477%0.767SS**  trans-90.2129.9-174.8440000112.7T197T197-T199 HydrophobicContact CG2-CG2 3.96Å
200V36.9Very low34.1Very low150 Ų150123.7 Ų123.791%0.90977%0.766SS**  trans-145111.9137.5-86.90000109.6
201S33.3Very low34.8Very low108 Ų108123.7 Ų123.776%0.75578%0.777SS**  trans-70.8163163.3-430000109.1
202S34Very low35.5Very low101 Ų101125.3 Ų125.371%0.70678%0.784SS**  cis-151116.923.9-64.90000108
203S34Very low36Very low104 Ų104122.6 Ų122.673%0.72778%0.78SS**  68.391.784.875.80000115.2
204A37.2Very low36.7Very low109 Ų109127.7 Ų127.790%0.90179%0.791SS**  trans-76.6137.7152.900000109.2
205S36.6Very low37.9Very low108 Ų108128.9 Ų128.976%0.75579%0.788SS**  trans-133.5101-175.7600000112.3
206T39.2Very low39.5Very low136 Ų136127.2 Ų127.283%0.83479%0.786SS**PPolyproline II helixtrans-77.7131.5159.244.90000110.1
207P42.4Very low40.7Very low113 Ų113126.2 Ų126.273%0.73478%0.783SS**PPolyproline II helixtrans-94.8125.5163.933-27.4000111.3
208T33.2Very low42.5Very low141 Ų141126.9 Ų126.987%0.86579%0.788SS**PPolyproline II helixtrans-64.4140.6168.7-38.80000110.6
209Q37Very low44.2Very low180 Ų180127.3 Ų127.384%0.84178%0.783SS**  trans-121.4153.6165.9-80.9-165.754.600112.6
210T38.9Very low45.7Very low105 Ų105127.3 Ų127.364%0.64478%0.784SS**  trans-78159.4-170.342.20000113.5Q212T210-Q212 PolarHBondContact O-N 3.23Å
211P44.3Very low47Very low129 Ų129125.3 Ų125.384%0.83878%0.775SS**  trans-72.7115.9171.830.2-32.7000110.3
212Q43.2Very low48.1Very low170 Ų170125.9 Ų125.979%0.79478%0.776SS**  trans-99.8136.3172.8-82.7-80.3-8.300110.7T210T210-Q212 PolarHBondContact O-N 3.23Å
213T42.5Very low48.4Very low117 Ų117132 Ų13272%0.71879%0.785SS**  trans-70136.9-173.6-51.70000111.8L215T213-L215 PolarHBondContact O-N 3.42Å
214L44.6Very low49.1Very low172 Ų172133.4 Ų133.490%0.90179%0.789SS**  trans-69.8114.1177.4-147.978.8000110.5
215L55.9Low49.7Very low150 Ų150133.1 Ų133.179%0.78578%0.781SS**PPolyproline II helixtrans-91.5141.2165-78.997.1000110.4T213T213-L215 PolarHBondContact O-N 3.42Å
216P65.8Low50.5Low113 Ų113133.2 Ų133.273%0.73478%0.779SS**PPolyproline II helixtrans-72.3155.3172.931-34.5000111.8
217P62Low50.7Low118 Ų118132.3 Ų132.377%0.76678%0.775SS**PPolyproline II helixtrans-68.8154.2-179.929.1-35.6000112.7
218P66.4Low50.8Low119 Ų119134.9 Ų134.977%0.77378%0.781SS**PPolyproline II helixtrans-69.7152.1178.429.8-35.4000112.4
219P68.9Low51.2Low113 Ų113134.8 Ų134.873%0.73478%0.781SS**PPolyproline II helixtrans-71.3154.3177.130.6-35.4000112.4
220P64.1Low51.5Low117 Ų117129.5 Ų129.576%0.7678%0.775SS**PPolyproline II helixtrans-68.3154.6177.829.4-35.6000112.5
221P64.7Low51.2Low109 Ų109128.8 Ų128.871%0.70878%0.779SS**PPolyproline II helixtrans-67.2153176.729.3-35.3000111.9Y223P221-Y223 PolarHBondContact O-N 2.86Å
222P55.4Low51Low119 Ų119129.9 Ų129.977%0.77378%0.777SS**PPolyproline II helixtrans-68.6132179.328.3-34000111.4T224P222-T224 PolarHBondContact O-N 2.91Å
223Y39.4Very low50.6Low230 Ų230131.3 Ų131.390%0.90278%0.784SS**PPolyproline II helixtrans-65.6116.2170-85-96.7000110.3P221P221-Y223 PolarHBondContact O-N 2.86Å
224T48.8Very low50.2Low133 Ų133133.9 Ų133.982%0.81679%0.787SS**  trans-93.3102.3170.7-48.10000108.9P222P222-T224 PolarHBondContact O-N 2.91Å
225S50.2Low50.2Low103 Ų103131.2 Ų131.272%0.7278%0.78SS**PPolyproline II helixtrans-77.2138.9171.343.20000111
226P54.7Low49.1Very low110 Ų110131.7 Ų131.771%0.71478%0.778SS**PPolyproline II helixtrans-71.8146.1173.629.6-33.7000110.9I228P226-I228 PolarHBondContact O-N 3.33Å
227P42.9Very low47.8Very low117 Ų117134 Ų13476%0.7678%0.783SS**PPolyproline II helixtrans-73.9128.4-178.829.2-33.9000111.9T229P227-T229 PolarHBondContact O-N 3.21Å
228I44.6Very low46.5Very low168 Ų168136.1 Ų136.186%0.86278%0.783SS**  trans-7899.1170-59173.9000108.6P226 G230P226-I228 PolarHBondContact O-N 3.33Å; I228-G230 PolarHBondContact O-N 3.49Å
229T42Very low45.1Very low139 Ų139138.2 Ų138.285%0.85379%0.787SS**  trans-84.293.8166.646.20000110P227P227-T229 PolarHBondContact O-N 3.21Å
230G42.3Very low43.4Very low69 Ų69141.7 Ų141.771%0.71179%0.793SS**  trans-163.775.4-17900000113.7I228I228-G230 PolarHBondContact O-N 3.49Å
231A33.7Very low42.1Very low89 Ų89144.5 Ų144.574%0.73680%0.796SS**  trans-147.2104.2171.600000113.1
232L40.2Very low41.2Very low152 Ų152144.8 Ų144.880%0.79680%0.798SS**  trans53.5109.3134.3-63.6160.9000119.6
233Q33.4Very low40Very low201 Ų201144.1 Ų144.194%0.93980%0.796SS**  trans-143.1135.3131.3-115.8159.324.400112.1
234H35.2Very low39.6Very low171 Ų171141.9 Ų141.979%0.79279%0.793SS**  trans-84.6167.8-175.9-106.980.6000111.3
235P44.8Very low39.6Very low115 Ų115141.1 Ų141.175%0.74779%0.791SS**  trans-81.2152.1-16233.7-35.5000113
236Q31Very low38.7Very low160 Ų160140.2 Ų140.275%0.74879%0.789SS**  trans-114.3127.1160.7-146.3-142.3-8900110.3Q238Q236-Q238 VanDerWaalsContact NE2-OE1 3.14Å; Q236-Q238 PolarHBondContact O-N 2.88Å
237L39.8Very low37.7Very low161 Ų161144 Ų14484%0.84380%0.798SS**  trans-62.9132.8167.7-71.197.6000109.5
238Q34.2Very low37.3Very low163 Ų163143.4 Ų143.476%0.76280%0.796SS**  trans-138.395.5159.8-160.1101-22.500108.8Q236Q236-Q238 VanDerWaalsContact NE2-OE1 3.14Å; Q236-Q238 PolarHBondContact O-N 2.88Å
239L36.8Very low37.1Very low163 Ų163142 Ų14285%0.85380%0.796SS**  trans-50.8130.7168.5-173.679.2000110.6
240H33.7Very low36.9Very low187 Ų187140.4 Ų140.487%0.86679%0.79SS**  trans-173.7134.2150.4-99.691.9000111.1
241Q36.6Very low36.8Very low176 Ų176146.6 Ų146.682%0.82280%0.798SS**  trans-146135.5175-175.2158.336.600107.1
242P45.5Very low37Very low115 Ų115150.7 Ų150.775%0.74781%0.807SS**  -127.9-176.471.528.8-6.8000112.9
243S30.1Very low37.2Very low105 Ų105150.5 Ų150.573%0.73481%0.806SS**  cis-150.1-177.516.2-24.40000113.4
244H32.1Very low37.5Very low182 Ų182146.6 Ų146.684%0.84380%0.797SS**  trans-76.4175.6170.2-63.5-76.3000114.5
245P48.5Very low37.7Very low118 Ų118146.1 Ų146.177%0.76680%0.796SS**  cis-134.2179.2-12.122.22000116.1
246A30.8Very low37.5Very low83 Ų83149.4 Ų149.469%0.68680%0.801SS**  trans106.4128.5138.400000120.5
247Q32.9Very low37.9Very low190 Ų190151.6 Ų151.689%0.88880%0.804SS**  trans65.7144.2157.3-62.6170.514.600117.1
248S34.8Very low37.7Very low104 Ų104153 Ų15373%0.72780%0.803SS**  cis-154.9154.3-8.845.90000110
249T41.6Very low38Very low139 Ų139153.6 Ų153.685%0.85380%0.804SS**  trans-77.6122.2175.145.50000111.9
250S37.3Very low38.2Very low106 Ų106150.9 Ų150.974%0.74180%0.796SS**  trans-141.5117.5164.7-72.40000110.8
251F39Very low38.7Very low199 Ų199150.2 Ų150.287%0.87380%0.798SS**  trans-69.9136.6167.6-84.3-111000109.7
252L38.8Very low38.9Very low175 Ų175150.6 Ų150.692%0.91680%0.8SS**  trans-89.7107.3167.8-71.2172.6000109.5
253L43.9Very low38.9Very low148 Ų148150.6 Ų150.678%0.77580%0.8SS**PPolyproline II helixtrans-80.9147.7157.2-95.174000109.2
254P40.5Very low39.1Very low118 Ų118153.2 Ų153.277%0.76681%0.805SS**PPolyproline II helixtrans-70.8141.6174.229.8-33.6000111.5Q256P254-Q256 PolarHBondContact O-N 3.48Å
255Q39.5Very low39.3Very low161 Ų161149 Ų14975%0.75280%0.803SS**PPolyproline II helixtrans-58.3122177.2-79.6-78.81100111.9
256Q41.2Very low38.9Very low185 Ų185152.6 Ų152.686%0.86481%0.806SS**PPolyproline II helixtrans-86.3116.5159.8-72.2-157.7-47.100109.1P254 F258P254-Q256 PolarHBondContact O-N 3.48Å; Q256-F258 PolarHBondContact O-N 3.26Å; Q256-F258 VanDerWaalsContact O-N 3.12Å
257Y39.1Very low39.2Very low206 Ų206154.9 Ų154.981%0.80881%0.812SS**  trans-70.9104.9175.7-72.6-87.8000110.5
258F34Very low39.3Very low189 Ų189150 Ų15083%0.82981%0.805SS**  trans-84.7111.9172.1-173.3-89.6000109.5Q256 P260Q256-F258 PolarHBondContact O-N 3.26Å; Q256-F258 VanDerWaalsContact O-N 3.12Å; F258-P260 WeakPolarHBondContact O-CD 3.39Å
259F41.6Very low39.5Very low177 Ų177152.2 Ų152.278%0.77681%0.814SS**PPolyproline II helixtrans-79123.1172.1-79.3-92.5000110.3L261F259-L261 PolarHBondContact O-N 3.29Å
260P40.9Very low39.4Very low106 Ų106154.4 Ų154.469%0.68881%0.811SS**PPolyproline II helixtrans-75.6117.2166.228.9-28.2000109.6F258 Q262F258-P260 WeakPolarHBondContact O-CD 3.39Å; P260-Q262 PolarHBondContact O-N 3.3Å
261L44.4Very low39.3Very low173 Ų173153 Ų15391%0.90681%0.813SS**PPolyproline II helixtrans-63.5122.2169.7-69.5167.5000109.5F259F259-L261 PolarHBondContact O-N 3.29Å
262Q41.3Very low39.5Very low184 Ų184152.5 Ų152.586%0.8681%0.811SS**PPolyproline II helixtrans-89.3122.8174.7-170.3172.8-1.100109.1P260P260-Q262 PolarHBondContact O-N 3.3Å
263P44.2Very low39.7Very low114 Ų114148.6 Ų148.674%0.7480%0.804SS**PPolyproline II helixtrans-78.4149.9-176.230.7-34.6000112.8
264D34Very low39.6Very low160 Ų160148.8 Ų148.886%0.85681%0.806SS**PPolyproline II helixtrans-53.9146.9-178.5-66.9-86.1000115.4
265A37Very low39.7Very low95 Ų95152.5 Ų152.579%0.78581%0.81SS**  trans-123.159.5178.200000113.2
266F39.9Very low40.1Very low192 Ų192148.4 Ų148.484%0.84281%0.811SS**  trans-138137.8157.7-73.6-87.5000105.9
267T36.9Very low40.6Very low131 Ų131148.2 Ų148.280%0.80481%0.81SS**  cis-164.6138.122.6-220000108
268A35.2Very low40.9Very low89 Ų89147.7 Ų147.774%0.73684%0.837SS**  trans172.6111.4149.200000113.4
269T38.9Very low41.2Very low149 Ų149145.6 Ų145.691%0.91484%0.837SS**  -170.7121.3113.814.80000110.5
270K40.8Very low41.2Very low185 Ų185143.9 Ų143.980%0.80484%0.84SS**  trans-87.6114.7174.7-179.9176.5-178.91760107.9
271G35Very low41.2Very low76 Ų76146.1 Ų146.178%0.78485%0.849SS**  trans-59.5135.6177.900000112.2
272F41.7Very low41Very low190 Ų190144.5 Ų144.583%0.83385%0.845SS**  trans-132.3155172.4-119.1-87.3000107.9
273A43.4Very low41Very low92 Ų92142 Ų14276%0.7685%0.845SS**  trans72.7136.4-158.400000112.6
274D43Very low40.8Very low152 Ų152143.9 Ų143.981%0.81385%0.852SS**  cis-125.7149.626.1-131.8-48.4000115.2
275F41.1Very low41.3Very low197 Ų197142.7 Ų142.786%0.86485%0.851SS**  trans-144.289.8174-126.5-74.1000107.9
276G49.6Very low41.6Very low75 Ų75146.4 Ų146.477%0.77386%0.856SS**  trans-106.7111.2177.600000111.6
277Q50.2Low41.7Very low180 Ų180142.6 Ų142.684%0.84186%0.857SS**  trans-93.6132.1167.7-67.5179.318.600110.5
278S45Very low42.2Very low195 Ų195143.6 Ų143.6100%1.36486%0.862SS**  trans-171.80140.8610000109.9

Retrieved 278 of 278 residues in 129.5 ms (Link to these results)