A0A059RRH2_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059RRH2, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M44.9Very low70.8Confident217 Ų217101.7 Ų101.7100%1.06955%0.548SS*.  0125.50-70.7160.290.600106E3M1-E3 PolarHBondContact O-N 3.46Å
2N47.8Very low71.8Confident162 Ų16296.4 Ų96.487%0.86652%0.523SS*.  trans-66.589.1167.5-101.916.3000105.9N4N2-N4 PolarHBondContact O-N 3.01Å; N2-N4 VanDerWaalsContact O-N 3.12Å
3E57.8Low72.9Confident124 Ų12496.7 Ų96.758%0.57953%0.53SS*.  trans-55.2118.1166.2-72.3-87.2140.900105.7M1 L5M1-E3 PolarHBondContact O-N 3.46Å; E3-L5 PolarHBondContact O-N 3.16Å
4N73.6Confident73.8Confident128 Ų12897.9 Ų97.968%0.68453%0.533SS*.  trans-72.675.1178.8-74.2-28.6000108.5N2 F6 A7N2-N4 PolarHBondContact O-N 3.01Å; N2-N4 VanDerWaalsContact O-N 3.12Å; N4-F6 PolarHBondContact O-N 3.43Å; N4-A7 HydrophobicContact CB-CB 3.84Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 2.94Å; N4-A7 PolarHBondContact O-N 3.33Å
5L73.2Confident74.5Confident46 Ų46102.9 Ų102.924%0.24156%0.558CS.*THydrogen-bonded Turntrans-52.8-28.2176.1-64176.4000111.7E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.16Å; L5-L169 HydrophobicContact CB-CD2 4.17Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.01Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.1Å; L5-L173 HydrophobicContact CD1-CD2 4.06Å
6F80.1Confident75Confident135 Ų135101 Ų10159%0.59257%0.57SS**THydrogen-bonded Turntrans-88.9-4.1-179.8-63.3-77.4000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.43Å; F6-S8 PolarHBondContact O-N 3.3Å; F6-F9 HydrophobicContact CB-CD2 4.47Å; F6-F9 AromaticContact CD1-CD2 3.89Å; F6-F9 HydrophobicContact CD1-CD2 3.89Å; F6-F9 HydrophobicContact CD1-CE2 4.26Å; F6-F9 PolarHBondContact O-N 3.38Å; F6-L169 HydrophobicContact CE1-CD1 4.09Å; F6-L169 HydrophobicContact CE1-CD2 4.16Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A77.8Confident75.6Confident53 Ų53102.5 Ų102.544%0.43858%0.575SS.*G310 helixtrans-60.7-33.5-178.500000112.4N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.84Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 2.94Å; N4-A7 PolarHBondContact O-N 3.33Å; A7-F9 PolarHBondContact O-N 3.13Å; A7-I10 PolarHBondContact O-N 3.34Å
8S78.2Confident76.1Confident58 Ų58101.2 Ų101.241%0.40657%0.572SS.*G310 helixtrans-66.1-22.3176.755.50000113.6F6 F92F6-S8 PolarHBondContact O-N 3.3Å; S8-F92 WeakPolarHBondContact O-CD2 3.09Å
9F80.9Confident76.5Confident23 Ų2396.9 Ų96.910%0.10155%0.55CS.*G310 helixtrans-91.6-9.6178.9-57.9-66.9000113.3F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CB-CD2 4.47Å; F6-F9 AromaticContact CD1-CD2 3.89Å; F6-F9 HydrophobicContact CD1-CD2 3.89Å; F6-F9 HydrophobicContact CD1-CE2 4.26Å; F6-F9 PolarHBondContact O-N 3.38Å; A7-F9 PolarHBondContact O-N 3.13Å; F9-A11 PolarHBondContact O-N 3.34Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; F9-Q97 PolarHBondContact O-NE2 3.29Å; F9-T165 HydrophobicContact CD1-CG2 4.34Å; F9-T165 HydrophobicContact CE1-CG2 4.04Å; F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.37Å; F9-L169 HydrophobicContact CE2-CD2 3.81Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CZ-CG 3.97Å
10I83Confident76.9Confident122 Ų12293 Ų9363%0.62653%0.53SS*.SBendtrans-71127.5178.7-60173.8000108.4A7 P12A7-I10 PolarHBondContact O-N 3.34Å; I10-P12 WeakPolarHBondContact O-CD 3.38Å; I10-P12 VanDerWaalsContact O-N 3.17Å
11A82.1Confident77.3Confident51 Ų5192.5 Ų92.542%0.42153%0.529SS..PPolyproline II helixtrans-56.8120.9179.400000110.3F9 T13 F92F9-A11 PolarHBondContact O-N 3.34Å; A11-T13 PolarHBondContact O-N 3.03Å; A11-F92 HydrophobicContact CB-CZ 4.44Å
12P82.1Confident79.2Confident38 Ų3888.2 Ų88.225%0.24751%0.51CS..PPolyproline II helixtrans-70.5127.8-173.926.5-33.1000109.9I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.38Å; I10-P12 VanDerWaalsContact O-N 3.17Å; P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.48Å; P12-A19 PolarHBondContact O-N 2.95Å; P12-I23 HydrophobicContact CG-CD1 3.63Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.08Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.05Å
13T85.8Confident81.1Confident100 Ų10083 Ų8361%0.61348%0.481SS*.EExtended strand (participates in β ladder)trans-118.2125.8170.853.40000108.6A11 L17A11-T13 PolarHBondContact O-N 3.03Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I86.2Confident82.5Confident113 Ų11379.5 Ų79.558%0.57947%0.466SS*.EExtended strand (participates in β ladder)trans-112.2122.5176.4-64.1172.4000106.2G16 L17 A19I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3.32Å; I14-L17 PolarHBondContact O-N 2.97Å; I14-A19 HydrophobicContact CB-CB 4.43Å; I14-A19 HydrophobicContact CD1-CB 3.82Å; I14-A19 HydrophobicContact CG1-CB 3.9Å
15L84Confident83.1Confident174 Ų17479 Ų7991%0.91146%0.463SS*.THydrogen-bonded Turntrans54.332.2179.3-73.5145.9000113.6L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å
16G83.3Confident83.8Confident72 Ų7281.3 Ų81.374%0.74247%0.471SS*.THydrogen-bonded Turntrans79.4-1.9-177.600000115.3I14I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L83.8Confident84.2Confident126 Ų12675.1 Ų75.166%0.6644%0.444SS*.EExtended strand (participates in β ladder)trans-93.9141.8172.9-67.5167.5000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 3.32Å; I14-L17 PolarHBondContact O-N 2.97Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å; L17-A19 PolarHBondContact O-N 3.38Å
18P84.5Confident84.5Confident80 Ų8075.8 Ų75.852%0.51944%0.444SS..EExtended strand (participates in β ladder)trans-71.6102178.129.3-33.2000110.4A20 V21P18-A20 PolarHBondContact O-N 2.93Å; P18-V21 HydrophobicContact CG-CG2 4.27Å; P18-V21 PolarHBondContact O-N 3.48Å
19A85.1Confident84.9Confident19 Ų1979.6 Ų79.616%0.15746%0.459CS..THydrogen-bonded Turntrans-68.9-16.8176.900000112.4P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.48Å; P12-A19 PolarHBondContact O-N 2.95Å; I14-A19 HydrophobicContact CB-CB 4.43Å; I14-A19 HydrophobicContact CD1-CB 3.82Å; I14-A19 HydrophobicContact CG1-CB 3.9Å; L17-A19 PolarHBondContact O-N 3.38Å; A19-V21 PolarHBondContact O-N 3.14Å; A19-V21 VanDerWaalsContact O-N 3.17Å; A19-L22 PolarHBondContact O-N 3.27Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3.37Å
20A84.8Confident85.2Confident19 Ų1982.1 Ų82.116%0.15747%0.474CS..Hα-helixtrans-53.2-33.5173.900000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.93Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 2.96Å; A20-I23 PolarHBondContact O-N 3.38Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 3.3Å; A20-F92 HydrophobicContact CB-CE1 4.33Å
21V84.8Confident85.5Confident83 Ų8378.9 Ų78.950%0.50346%0.457SS..Hα-helixtrans-63.2-41.6178.7-179.80000111.3P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.27Å; P18-V21 PolarHBondContact O-N 3.48Å; A19-V21 PolarHBondContact O-N 3.14Å; A19-V21 VanDerWaalsContact O-N 3.17Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.02Å; V21-I24 PolarHBondContact O-N 2.96Å; V21-L25 HydrophobicContact CG1-CD1 4.17Å; V21-L25 WeakPolarHBondContact O-CG 3.29Å; V21-L25 PolarHBondContact O-N 3.45Å; V21-L25 VanDerWaalsContact O-N 3.1Å
22L85.5Confident85.7Confident126 Ų12679.2 Ų79.266%0.6646%0.455SS*.Hα-helixtrans-66.4-37.9179.6-163.8148.6000110.9A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.27Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 2.96Å; L22-L25 PolarHBondContact O-N 3.21Å; L22-F26 PolarHBondContact O-N 2.96Å
23I86.5Confident85.9Confident53 Ų5383.9 Ų83.927%0.27248%0.483SS..Hα-helixtrans-66.8-41.1177.1-58.6172.1000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.63Å; A19-I23 PolarHBondContact O-N 3.37Å; A20-I23 PolarHBondContact O-N 3.38Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.02Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.08Å; I23-F26 WeakPolarHBondContact O-CB 3.29Å; I23-F26 PolarHBondContact O-N 3.4Å; I23-P27 VanDerWaalsContact O-CD 3.26Å; I23-P27 WeakPolarHBondContact O-CD 3.2Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.83Å; I23-F92 HydrophobicContact CD1-CG 4.3Å; I23-F92 HydrophobicContact CG2-CD1 4.45Å; I23-F92 WeakPolarHBondContact CG2-O 3.35Å
24I87.1Confident86Confident50 Ų5080.9 Ų80.926%0.25647%0.466SS..Hα-helixtrans-65.1-32.1176.4-68.3163.9000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 3.3Å; V21-I24 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.12Å; I24-F78 HydrophobicContact CG2-CZ 4.37Å; I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.66Å; I24-P94 HydrophobicContact CG1-CG 4.01Å; I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.4Å
25L86.5Confident85.9Confident118 Ų11885.7 Ų85.762%0.61848%0.483SS*.Hα-helixtrans-80.9-11.7178.7-72.3171.9000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.17Å; V21-L25 WeakPolarHBondContact O-CG 3.29Å; V21-L25 PolarHBondContact O-N 3.45Å; V21-L25 VanDerWaalsContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.21Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.08Å; L25-P28 WeakPolarHBondContact O-CD 3.2Å
26F87.8Confident86Confident95 Ų9586.4 Ų86.442%0.41747%0.474SS..Hα-helixtrans-71.5-42.7-176.1-171.7-97.6000114.7L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.96Å; I23-F26 WeakPolarHBondContact O-CB 3.29Å; I23-F26 PolarHBondContact O-N 3.4Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.27Å; F26-L29 PolarHBondContact O-N 3.24Å; F26-L30 HydrophobicContact CD1-CD1 4.43Å; F26-L30 HydrophobicContact CE1-CD1 4.11Å; F26-L30 HydrophobicContact CE1-CD2 4.29Å; F26-L30 HydrophobicContact CE1-CG 4.29Å; F26-L30 HydrophobicContact CZ-CD2 4.45Å; F26-L85 HydrophobicContact CD1-CD2 3.28Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å
27P87.7Confident85.8Confident4 Ų491.4 Ų91.43%0.02648%0.483CS..Hα-helixtrans-57.3-42.4179.3-14.519.7000115.1I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.26Å; I23-P27 WeakPolarHBondContact O-CD 3.2Å; I24-P27 WeakPolarHBondContact O-CD 3.12Å; P27-L29 PolarHBondContact O-N 3.33Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.02Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.34Å; P27-T82 HydrophobicContact CB-CG2 4.25Å; P27-T82 HydrophobicContact CG-CG2 3.54Å
28P84.5Confident85.8Confident68 Ų6892.7 Ų92.744%0.44249%0.489SS..Hα-helixtrans-55.7-33.2173.6-27.133000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.2Å; P28-L30 PolarHBondContact O-N 3.41Å; P28-I31 PolarHBondContact O-N 2.75Å
29L87.9Confident86Confident137 Ų13790 Ų9072%0.71747%0.471SS*.Hα-helixtrans-68.1-24.7180-169.267000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.27Å; F26-L29 PolarHBondContact O-N 3.24Å; P27-L29 PolarHBondContact O-N 3.33Å; L29-I31 PolarHBondContact O-N 2.83Å
30L87.4Confident86.2Confident77 Ų7794.5 Ų94.540%0.40349%0.492SS..THydrogen-bonded Turntrans-75.3-5.4178-64.8174.7000113.6F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.43Å; F26-L30 HydrophobicContact CE1-CD1 4.11Å; F26-L30 HydrophobicContact CE1-CD2 4.29Å; F26-L30 HydrophobicContact CE1-CG 4.29Å; F26-L30 HydrophobicContact CZ-CD2 4.45Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.02Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 PolarHBondContact O-N 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.35Å; L30-Q46 PolarHBondContact O-NE2 3.32Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.15Å
31I87.8Confident86.4Confident54 Ų54103.7 Ų103.728%0.27752%0.523SS..SBendtrans-108.881.3-178.8-53.3162.9000108.6P28 L29 T33 I77P28-I31 PolarHBondContact O-N 2.75Å; L29-I31 PolarHBondContact O-N 2.83Å; I31-T33 PolarHBondContact O-N 3.43Å; I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å
32P86.7Confident86.7Confident58 Ų58103.9 Ų103.938%0.37752%0.52SS..  trans-68.8134.2179.527.3-34000111.3L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-L42 HydrophobicContact CG-CD2 3.68Å; P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4Å
33T86.7Confident87Confident136 Ų13698.8 Ų98.883%0.83449%0.493SS*.  trans-99.6133171.259.70000110.4I31I31-T33 PolarHBondContact O-N 3.43Å
34S86.7Confident87.2Confident37 Ų3799.2 Ų99.226%0.25950%0.499SS..  trans-111.4145.9171.5166.70000111.1Y36 N39S34-Y36 PolarHBondContact OG-N 2.94Å; S34-N39 WeakPolarHBondContact CB-OD1 3.42Å; S34-N39 PolarHBondContact OG-OD1 3.38Å
35K85.4Confident87.4Confident213 Ų213100.9 Ų100.993%0.92651%0.511SS*.  trans-87.3-13.3173.4-63.1-178.6-178.8178.20113.2
36Y85.9Confident87.6Confident189 Ų18997.4 Ų97.474%0.74149%0.492SS*.SBendtrans-82.2154.6-175.1-60.7-74.9000112S34 N39S34-Y36 PolarHBondContact OG-N 2.94Å; Y36-N39 PolarHBondContact O-ND2 3.29Å; Y36-N39 PolarHBondContact O-OD1 2.89Å
37L78.2Confident87.7Confident177 Ų17797.6 Ų97.693%0.92749%0.494SS*.SBendtrans-72.4-39.5176.9-170.375.8000111.5
38I84.9Confident88Confident154 Ų154105.3 Ų105.379%0.7952%0.523SS*.SBendtrans-101.9114.6174.8-59.2169.2000107.2
39N88.8Confident88.3Confident24 Ų24106.6 Ų106.613%0.12853%0.526CS..  trans-109.3169.1-173.2-73.9-17.5000112.7S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.42Å; S34-N39 PolarHBondContact OG-OD1 3.38Å; Y36-N39 PolarHBondContact O-ND2 3.29Å; Y36-N39 PolarHBondContact O-OD1 2.89Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.41Å; N39-T44 HydrophobicContact CB-CG2 4.13Å; N39-Q47 PolarHBondContact ND2-NE2 3.01Å
40N89.3Confident88.5Confident113 Ų113102.9 Ų102.960%0.60451%0.506SS*.  trans-62.8152.7171.5-166.20.4000111L42 I43 T44N40-L42 PolarHBondContact O-N 3.43Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 HydrophobicContact CB-CD1 4.47Å; N40-I43 PolarHBondContact O-N 3.02Å; N40-T44 PolarHBondContact O-N 3.11Å
41R89.4Confident88.6Confident212 Ų212106.5 Ų106.580%0.852%0.518SS*.Hα-helixtrans-51.8-38-178.8-64.7-177.3-179.8-178-0113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.48Å; R41-T44 PolarHBondContact O-N 3.08Å; R41-T44 PolarHBondContact O-OG1 3.26Å; R41-T45 WeakPolarHBondContact O-CG2 3.31Å; R41-T45 PolarHBondContact O-N 3.32Å; R41-T45 PolarHBondContact O-OG1 3.46Å
42L89.7Confident88.8Confident87 Ų87107 Ų10746%0.45552%0.521SS..Hα-helixtrans-66.9-40.8178.5-172.4152.2000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.68Å; N40-L42 PolarHBondContact O-N 3.43Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T45 PolarHBondContact O-OG1 3.08Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.24Å; L42-Q46 WeakPolarHBondContact O-CB 3.4Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.17Å; L42-Q46 PolarHBondContact O-N 3.28Å
43I91.4Very high88.9Confident18 Ų18105.4 Ų105.49%0.09251%0.51CS..Hα-helixtrans-71.8-36.4179.3-60.4174.2000110P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CB-CG1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.41Å; N40-I43 HydrophobicContact CB-CD1 4.47Å; N40-I43 PolarHBondContact O-N 3.02Å; I43-Q46 PolarHBondContact O-N 3.12Å; I43-Q47 HydrophobicContact CG2-CG 4.28Å; I43-Q47 WeakPolarHBondContact O-CB 3.49Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.26Å; I43-Q47 PolarHBondContact O-N 3.2Å
44T91.3Very high89Confident63 Ų63100.3 Ų100.339%0.38748%0.48SS..Hα-helixtrans-67.6-40.1177.360.30000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.13Å; N40-T44 PolarHBondContact O-N 3.11Å; R41-T44 WeakPolarHBondContact CA-OG1 3.48Å; R41-T44 PolarHBondContact O-N 3.08Å; R41-T44 PolarHBondContact O-OG1 3.26Å; T44-Q47 PolarHBondContact O-N 2.84Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.44Å; T44-W48 PolarHBondContact O-N 3.42Å
45T91.3Very high89.1Confident84 Ų84105.7 Ų105.752%0.51550%0.499SS..Hα-helixtrans-66.9-40.2174.356.80000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.31Å; R41-T45 PolarHBondContact O-N 3.32Å; R41-T45 PolarHBondContact O-OG1 3.46Å; L42-T45 PolarHBondContact O-OG1 3.08Å; T45-W48 PolarHBondContact O-N 3.43Å; T45-L49 WeakPolarHBondContact O-CB 3.48Å; T45-L49 PolarHBondContact O-N 3.32Å
46Q91.3Very high89.2Confident45 Ų45101.6 Ų101.621%0.2148%0.483CS..Hα-helixtrans-60-50.3173.3-76.9177.1-21.100111.8L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.32Å; L42-Q46 VanDerWaalsContact CD2-CD 3.43Å; L42-Q46 HydrophobicContact CD2-CG 4.24Å; L42-Q46 WeakPolarHBondContact O-CB 3.4Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.17Å; L42-Q46 PolarHBondContact O-N 3.28Å; I43-Q46 PolarHBondContact O-N 3.12Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.38Å; Q46-L49 PolarHBondContact O-N 3Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.45Å; Q46-I50 PolarHBondContact O-N 3.31Å
47Q90.4Very high89.1Confident100 Ų10093.2 Ų93.247%0.46745%0.451SS..Hα-helixtrans-61-38.8177.9-74.3175.9-14.100112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.01Å; I43-Q47 HydrophobicContact CG2-CG 4.28Å; I43-Q47 WeakPolarHBondContact O-CB 3.49Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.26Å; I43-Q47 PolarHBondContact O-N 3.2Å; T44-Q47 PolarHBondContact O-N 2.84Å; Q47-K51 WeakPolarHBondContact O-CB 3.02Å; Q47-K51 PolarHBondContact O-N 3.43Å
48W92.6Very high89.5Confident166 Ų16685.6 Ų85.663%0.62941%0.411SS*.Hα-helixtrans-63.7-44.1175.5-179.482.5000112T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.44Å; T44-W48 PolarHBondContact O-N 3.42Å; T45-W48 PolarHBondContact O-N 3.43Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.38Å; W48-K51 PolarHBondContact O-N 3.14Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.78Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.18Å; W48-L52 PolarHBondContact O-N 3.43Å
49L91Very high89.4Confident95 Ų9582.8 Ų82.850%0.49740%0.401SS..Hα-helixtrans-65.2-42.9177.9-164.1152.9000111.7T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.48Å; T45-L49 PolarHBondContact O-N 3.32Å; Q46-L49 PolarHBondContact O-N 3Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.09Å; L49-L52 PolarHBondContact O-N 2.95Å; L49-T53 HydrophobicContact CD2-CG2 3.98Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 3.11Å
50I91.6Very high88.9Confident59 Ų5988.1 Ų88.130%0.30343%0.427SS..Hα-helixtrans-60.8-42.2174.3-66.7169.4000110.9Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.45Å; Q46-I50 PolarHBondContact O-N 3.31Å; I50-T53 WeakPolarHBondContact CA-OG1 3.42Å; I50-T53 PolarHBondContact O-OG1 3.12Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.24Å; I50-S54 WeakPolarHBondContact O-CB 3.34Å; I50-S54 PolarHBondContact O-N 2.87Å; I50-S54 PolarHBondContact O-OG 2.73Å; I50-V73 HydrophobicContact CG2-CG1 3.91Å; I50-I77 HydrophobicContact CD1-CD1 4.07Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.2Very high88.5Confident152 Ų15283.1 Ų83.166%0.66140%0.4SS*.Hα-helixtrans-65.4-40.1178.2-174.4176.4179.11780112.4Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.02Å; Q47-K51 PolarHBondContact O-N 3.43Å; W48-K51 PolarHBondContact O-N 3.14Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.09Å; K51-S54 WeakPolarHBondContact CA-OG 3.28Å; K51-S54 PolarHBondContact O-OG 3.11Å; K51-S54 VanDerWaalsContact O-OG 3.05Å; K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.33Å; K51-K55 VanDerWaalsContact O-N 3.09Å
52L91.3Very high88Confident66 Ų6678.5 Ų78.535%0.34639%0.391SS..Hα-helixtrans-67.6-49.8178.3-75.4177.6000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.78Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.35Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.18Å; W48-L52 PolarHBondContact O-N 3.43Å; L49-L52 PolarHBondContact O-N 2.95Å; L52-K55 PolarHBondContact O-N 3.15Å; L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 2.91Å
53T88.9Confident87.5Confident23 Ų2379.8 Ų79.814%0.14140%0.403CS..Hα-helixtrans-61.6-47.2-179.849.20000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.98Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 3.11Å; I50-T53 WeakPolarHBondContact CA-OG1 3.42Å; I50-T53 PolarHBondContact O-OG1 3.12Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 3.2Å; T53-Q56 PolarHBondContact O-N 2.79Å; T53-M57 WeakPolarHBondContact O-CG 3.2Å; T53-M57 PolarHBondContact O-N 3.16Å
54S88.9Confident86.9Confident30 Ų3085.1 Ų85.121%0.2143%0.425CS..Hα-helixtrans-61-41.8176.461.20000112.4I50 K51 M58I50-S54 VanDerWaalsContact O-CB 3.24Å; I50-S54 WeakPolarHBondContact O-CB 3.34Å; I50-S54 PolarHBondContact O-N 2.87Å; I50-S54 PolarHBondContact O-OG 2.73Å; K51-S54 WeakPolarHBondContact CA-OG 3.28Å; K51-S54 PolarHBondContact O-OG 3.11Å; K51-S54 VanDerWaalsContact O-OG 3.05Å; S54-M58 VanDerWaalsContact O-CB 3.25Å; S54-M58 WeakPolarHBondContact O-CB 3.35Å; S54-M58 WeakPolarHBondContact O-CG 3.41Å; S54-M58 PolarHBondContact O-N 3.43Å
55K89.1Confident86.2Confident150 Ų15082.1 Ų82.165%0.65241%0.407SS*.Hα-helixtrans-61.7-45.9176-173.4-179.6178.3-174.50111.8K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.33Å; K51-K55 VanDerWaalsContact O-N 3.09Å; L52-K55 PolarHBondContact O-N 3.15Å; T53-K55 PolarHBondContact O-N 3.2Å; K55-T59 WeakPolarHBondContact O-CG2 3.28Å; K55-T59 PolarHBondContact O-N 3.27Å
56Q86.7Confident85.8Confident126 Ų12684.7 Ų84.759%0.58941%0.407SS*.Hα-helixtrans-68.8-39-177.8-74.3179.2-28.200113L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 2.91Å; T53-Q56 PolarHBondContact O-N 2.79Å; Q56-T59 PolarHBondContact O-OG1 3.34Å
57M84.8Confident85.6Confident13 Ų1387.4 Ų87.46%0.06443%0.427CS..Hα-helixtrans-73.8-36.8178.9-69.8-175.8164.300112.5T53 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.2Å; T53-M57 PolarHBondContact O-N 3.16Å; M57-H61 PolarHBondContact O-ND1 2.97Å; M57-L72 HydrophobicContact SD-CB 4.49Å; M57-I76 HydrophobicContact CE-CD1 3.69Å; M57-Y212 HydrophobicContact CE-CD2 4.43Å; M57-T215 WeakPolarHBondContact CE-OG1 3.37Å
58M85.1Confident85.3Confident18 Ų1885.3 Ų85.39%0.08941%0.414CS..Hα-helixtrans-83.5-8.7-173.8-65.5-55111.500114.6S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.25Å; S54-M58 WeakPolarHBondContact O-CB 3.35Å; S54-M58 WeakPolarHBondContact O-CG 3.41Å; S54-M58 PolarHBondContact O-N 3.43Å; M58-M60 PolarHBondContact O-N 2.97Å; M58-H61 PolarHBondContact O-N 3.35Å; M58-H61 HydrophobicContact SD-CB 4.49Å; M58-R66 HydrophobicContact CB-CG 4.47Å; M58-R66 HydrophobicContact SD-CB 4.5Å; M58-R66 HydrophobicContact SD-CG 4.18Å; M58-S69 VanDerWaalsContact SD-CB 3.57Å; M58-L72 HydrophobicContact CE-CD1 3.71Å
59T84.2Confident85.1Confident94 Ų9478.8 Ų78.858%0.57739%0.394SS*.THydrogen-bonded Turntrans-63.9-33173.451.30000112K55 Q56 H61K55-T59 WeakPolarHBondContact O-CG2 3.28Å; K55-T59 PolarHBondContact O-N 3.27Å; Q56-T59 PolarHBondContact O-OG1 3.34Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.38Å
60M76.9Confident85.1Confident137 Ų13781.2 Ų81.268%0.67541%0.407SS*.THydrogen-bonded Turntrans-78.8-12.3-179.2-56.3-107.796.600112.8M58 H223M58-M60 PolarHBondContact O-N 2.97Å; M60-H223 PolarHBondContact O-CE1 3.43Å; M60-H223 PolarHBondContact O-ND1 3.21Å
61H81.4Confident85Confident7 Ų781.1 Ų81.13%0.03241%0.406CS..  trans-108.5140.6-167.5-71.880.6000114.1M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 2.97Å; M58-H61 PolarHBondContact O-N 3.35Å; M58-H61 HydrophobicContact SD-CB 4.49Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.38Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 3.39Å; H61-S219 VanDerWaalsContact CE1-CB 3.47Å; H61-S219 WeakPolarHBondContact CE1-CB 3.48Å; H61-S219 PolarHBondContact NE2-O 2.79Å
62N79.4Confident84.9Confident116 Ų11673.9 Ų73.962%0.6238%0.375SS*.  trans-72.5170.3169.4-104.5-18.6000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.04Å; N62-G65 PolarHBondContact O-N 2.94Å; N62-R66 PolarHBondContact O-N 3.13Å
63T79.5Confident84.9Confident114 Ų11471.5 Ų71.570%0.69936%0.362SS*.THydrogen-bonded Turntrans-54.3-37.5-175.154.20000114.2
64K78.2Confident85Confident129 Ų12973.5 Ų73.556%0.56138%0.377SS*.THydrogen-bonded Turntrans-67.9-44.2174.4-70.2-176.9-177.8176.20112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.04Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.17Å; K64-T67 WeakPolarHBondContact O-CB 3.4Å; K64-T67 PolarHBondContact O-N 3.47Å; K64-T67 PolarHBondContact O-OG1 3.37Å
65G77.5Confident85.1Confident0 Ų072.8 Ų72.80%037%0.371CS..G310 helixtrans-63.8-31.5177.800000113N62 T67 W68 L222N62-G65 PolarHBondContact O-N 2.94Å; G65-T67 PolarHBondContact O-N 3.4Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 PolarHBondContact O-N 2.94Å; G65-L222 WeakPolarHBondContact O-CD2 3.47Å
66R82.9Confident85.2Confident139 Ų13966.5 Ų66.553%0.52535%0.345SS..G310 helixtrans-62.5-20.1175.9-70.3-179.7-175.6-176.40.8114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.47Å; M58-R66 HydrophobicContact SD-CB 4.5Å; M58-R66 HydrophobicContact SD-CG 4.18Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 3.39Å; N62-R66 PolarHBondContact O-N 3.13Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.17Å; R66-W68 PolarHBondContact O-N 3.04Å; R66-S69 WeakPolarHBondContact O-CB 3.46Å; R66-S69 PolarHBondContact O-N 3.33Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T85.5Confident85.4Confident102 Ų10262.1 Ų62.163%0.62633%0.325SS*.G310 helixtrans-63.6-26174.162.10000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.4Å; K64-T67 PolarHBondContact O-N 3.47Å; K64-T67 PolarHBondContact O-OG1 3.37Å; G65-T67 PolarHBondContact O-N 3.4Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.06Å
68W85.8Confident85.6Confident55 Ų5563.8 Ų63.821%0.20833%0.332CS..G310 helixtrans-84.90.3177.2-72.663.9000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.94Å; R66-W68 PolarHBondContact O-N 3.04Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.36Å; W68-M71 HydrophobicContact CD2-CE 4.36Å; W68-M71 HydrophobicContact CE3-CE 3.16Å; W68-M71 HydrophobicContact CE3-SD 3.7Å; W68-M71 HydrophobicContact CZ3-CE 3.34Å; W68-M71 HydrophobicContact CZ3-SD 3.59Å; W68-M71 VanDerWaalsContact CZ3-SD 3.59Å; W68-M71 PolarHBondContact O-N 3.32Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 3.29Å; W68-M115 HydrophobicContact CZ2-SD 3.93Å; W68-M115 PolarHBondContact NE1-SD 3.39Å; W68-L222 HydrophobicContact CB-CD1 4.26Å; W68-L222 HydrophobicContact CB-CD2 3.7Å; W68-L222 HydrophobicContact CD2-CD1 3.48Å; W68-L222 VanDerWaalsContact CD2-CD1 3.48Å; W68-L222 HydrophobicContact CE3-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD2 3.88Å; W68-L222 HydrophobicContact CG-CG 4.44Å; W68-L222 HydrophobicContact CZ3-CD1 4.33Å
69S87.1Confident85.8Confident29 Ų2963 Ų6320%0.20333%0.328CS..Hα-helixtrans-53.6-46.3-178.3-179.90000112.5M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.57Å; R66-S69 WeakPolarHBondContact O-CB 3.46Å; R66-S69 PolarHBondContact O-N 3.33Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.06Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.44Å; S69-L72 PolarHBondContact O-N 3.05Å; S69-V73 WeakPolarHBondContact O-CB 3.33Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.41Å; S69-V73 PolarHBondContact O-N 3.48Å
70L90.5Very high86.1Confident147 Ų14759.8 Ų59.877%0.7731%0.311SS*.Hα-helixtrans-57.8-43.5179.8-172.2101.6000111.4W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.36Å; L70-S74 WeakPolarHBondContact O-CB 3.41Å; L70-S74 PolarHBondContact O-N 3.14Å; L70-S74 PolarHBondContact O-OG 3.19Å
71M90.6Very high86.7Confident56 Ų5654.8 Ų54.828%0.27629%0.288SS..Hα-helixtrans-71.3-40.3-177-165.8-163.175.200111.8W68 S69 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.36Å; W68-M71 HydrophobicContact CE3-CE 3.16Å; W68-M71 HydrophobicContact CE3-SD 3.7Å; W68-M71 HydrophobicContact CZ3-CE 3.34Å; W68-M71 HydrophobicContact CZ3-SD 3.59Å; W68-M71 VanDerWaalsContact CZ3-SD 3.59Å; W68-M71 PolarHBondContact O-N 3.32Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.44Å; M71-S74 PolarHBondContact O-OG 2.93Å; M71-L75 WeakPolarHBondContact O-CB 3.27Å; M71-L75 PolarHBondContact O-N 2.87Å; M71-L108 HydrophobicContact CE-CD2 3.11Å; M71-L108 HydrophobicContact CG-CD2 4.36Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å
72L89.8Confident87.1Confident1 Ų154.7 Ų54.71%0.00529%0.288CS..Hα-helixtrans-66.3-40.3176.6-70.6169.6000111.8M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.49Å; M58-L72 HydrophobicContact CE-CD1 3.71Å; W68-L72 PolarHBondContact O-N 3.29Å; S69-L72 PolarHBondContact O-N 3.05Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-I76 PolarHBondContact O-N 2.64Å; L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.82Å
73V91Very high87.6Confident15 Ų1549.3 Ų49.39%0.09126%0.259CS..Hα-helixtrans-69.3-41.6177.8172.70000111.3I50 S69 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.91Å; S69-V73 WeakPolarHBondContact O-CB 3.33Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.41Å; S69-V73 PolarHBondContact O-N 3.48Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.01Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.2Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.14Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 2.99Å
74S91.1Very high88Confident65 Ų6548.2 Ų48.246%0.45525%0.249SC..Hα-helixtrans-65.6-38.6176.164.70000111.8L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.41Å; L70-S74 PolarHBondContact O-N 3.14Å; L70-S74 PolarHBondContact O-OG 3.19Å; M71-S74 PolarHBondContact O-OG 2.93Å; S74-I77 PolarHBondContact O-N 3.17Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.46Å; S74-F78 PolarHBondContact O-N 3.31Å
75L89.9Confident88.5Confident16 Ų1643.6 Ų43.68%0.08423%0.23CC..Hα-helixtrans-62.4-49.1177.9-176.679.7000112.5M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.27Å; M71-L75 PolarHBondContact O-N 2.87Å; L72-L75 PolarHBondContact O-N 3.37Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.01Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 3.23Å; L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.2Å; L75-I79 PolarHBondContact O-N 3.16Å; L75-L108 HydrophobicContact CD1-CD1 3.47Å; L75-L108 VanDerWaalsContact CD1-CD1 3.47Å; L75-L108 HydrophobicContact CD2-CD1 3.87Å; L75-L108 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CD1-CE1 4.05Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.75Å; L75-F214 HydrophobicContact CG-CD1 4.31Å; L75-F214 HydrophobicContact CG-CE1 4.16Å; L75-T215 HydrophobicContact CB-CG2 4.17Å; L75-T215 HydrophobicContact CD2-CG2 3.52Å; L75-T215 HydrophobicContact CG-CG2 3.81Å
76I90.8Very high88.8Confident17 Ų1743.7 Ų43.79%0.08723%0.231CC..Hα-helixtrans-63-41.4-179.7-170170.1000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.69Å; L72-I76 PolarHBondContact O-N 2.64Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.2Å; I76-A80 WeakPolarHBondContact O-CB 3.38Å; I76-A80 PolarHBondContact O-N 3.41Å; I76-A211 HydrophobicContact CG1-CB 4.44Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; I76-T215 VanDerWaalsContact CA-CG2 3.5Å; I76-T215 HydrophobicContact CB-CG2 3.49Å; I76-T215 VanDerWaalsContact CB-CG2 3.49Å; I76-T215 HydrophobicContact CG1-CG2 4.14Å
77I90.9Very high88.8Confident34 Ų3438.9 Ų38.917%0.17422%0.216CC..Hα-helixtrans-67.1-42.5179.4-63.8165000110.4I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.44Å; I50-I77 HydrophobicContact CD1-CD1 4.07Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.14Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 2.99Å; S74-I77 PolarHBondContact O-N 3.17Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.93Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.3Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.4Å; I77-T81 PolarHBondContact O-N 2.79Å; I77-T81 PolarHBondContact O-OG1 3.14Å
78F90.1Very high88.8Confident48 Ų4838.8 Ų38.821%0.21121%0.211CC..Hα-helixtrans-60.8-53.1177.8179.6-103.8000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.37Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.46Å; S74-F78 PolarHBondContact O-N 3.31Å; L75-F78 PolarHBondContact O-N 3.23Å; F78-A80 PolarHBondContact O-N 3.12Å; F78-T81 PolarHBondContact O-N 3.35Å; F78-T81 PolarHBondContact O-OG1 3.13Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CG2 3.48Å; F78-T82 PolarHBondContact O-N 3.45Å; F78-T82 PolarHBondContact O-OG1 3.16Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; F78-M100 HydrophobicContact CE1-CE 4.01Å; F78-M100 HydrophobicContact CZ-CE 3.97Å; F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-CE 4.13Å; F78-M104 HydrophobicContact CE1-SD 3.6Å
79I89.8Confident88.6Confident1 Ų141.4 Ų41.41%0.00524%0.235CC..Hα-helixtrans-63.6-46.2-178.3-61.8169.4000110.4L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.2Å; L75-I79 PolarHBondContact O-N 3.16Å; I79-T81 PolarHBondContact O-N 3Å; I79-T82 WeakPolarHBondContact CA-OG1 3.29Å; I79-T82 PolarHBondContact O-N 3Å; I79-T82 PolarHBondContact O-OG1 3.38Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 VanDerWaalsContact O-CG 3.23Å; I79-N83 PolarHBondContact O-N 2.87Å; I79-L160 HydrophobicContact CG2-CD1 3.67Å; I79-A211 HydrophobicContact CB-CB 4.07Å; I79-A211 HydrophobicContact CG2-CB 3.74Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.36Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å
80A89.5Confident88.2Confident28 Ų2849.7 Ų49.723%0.23127%0.27CS..Hα-helixtrans-60.5-44-18000000112.2I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.38Å; I76-A80 PolarHBondContact O-N 3.41Å; F78-A80 PolarHBondContact O-N 3.12Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.1Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T90Very high87.8Confident31 Ų3144.3 Ų44.319%0.1925%0.245CC..Hα-helixtrans-68.6-43.5178.652.80000111.9P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.34Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.3Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.4Å; I77-T81 PolarHBondContact O-N 2.79Å; I77-T81 PolarHBondContact O-OG1 3.14Å; F78-T81 PolarHBondContact O-N 3.35Å; F78-T81 PolarHBondContact O-OG1 3.13Å; I79-T81 PolarHBondContact O-N 3Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 3.07Å; T81-L84 PolarHBondContact O-N 3.36Å; T81-L85 WeakPolarHBondContact O-CB 3Å; T81-L85 WeakPolarHBondContact O-CD1 3.22Å; T81-L85 PolarHBondContact O-N 3.37Å
82T89.4Confident87.4Confident5 Ų543 Ų433%0.03124%0.238CC..Hα-helixtrans-61.4-40.8176.553.80000112.9P27 F78 I79 G86 T95P27-T82 HydrophobicContact CB-CG2 4.25Å; P27-T82 HydrophobicContact CG-CG2 3.54Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CG2 3.48Å; F78-T82 PolarHBondContact O-N 3.45Å; F78-T82 PolarHBondContact O-OG1 3.16Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.29Å; I79-T82 PolarHBondContact O-N 3Å; I79-T82 PolarHBondContact O-OG1 3.38Å; T82-G86 PolarHBondContact O-N 3.26Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.28Å
83N89.4Confident87Confident3 Ų343.1 Ų43.12%0.01624%0.238CC..Hα-helixtrans-71.4-41.5-179.9-68.4-8.8000111.2I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 VanDerWaalsContact O-CG 3.23Å; I79-N83 PolarHBondContact O-N 2.87Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 3.07Å; N83-G86 WeakPolarHBondContact O-CA 3.37Å; N83-G86 PolarHBondContact O-N 3.28Å; N83-L87 PolarHBondContact O-N 2.91Å; N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.38Å; N83-T95 PolarHBondContact OD1-OG1 3.46Å; N83-I164 HydrophobicContact CB-CD1 4.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.47Å; N83-A207 HydrophobicContact CB-CB 4Å
84L88.3Confident86.5Confident91 Ų9143 Ų4348%0.47624%0.238SC..Hα-helixtrans-66.4-41.9179.2-165.8109.6000112.1A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.1Å; T81-L84 PolarHBondContact O-N 3.36Å; L84-G86 PolarHBondContact O-N 2.88Å; L84-L87 PolarHBondContact O-N 2.92Å; L84-I204 HydrophobicContact CD1-CG2 4.4Å
85L88.1Confident86.1Confident33 Ų3340 Ų4017%0.17322%0.217CC..Hα-helixtrans-62.5-28.6172.1-93.578.8000112F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.28Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.15Å; T81-L85 WeakPolarHBondContact O-CB 3Å; T81-L85 WeakPolarHBondContact O-CD1 3.22Å; T81-L85 PolarHBondContact O-N 3.37Å; L85-L87 PolarHBondContact O-N 3Å; L85-L88 WeakPolarHBondContact O-CB 3.34Å; L85-L88 WeakPolarHBondContact O-CG 3.05Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-S91 PolarHBondContact O-OG 3.33Å
86G83.9Confident85.8Confident2 Ų239.6 Ų39.62%0.02122%0.215CC..Hα-helixtrans-64.1-24.917700000116.3T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.26Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.37Å; N83-G86 PolarHBondContact O-N 3.28Å; L84-G86 PolarHBondContact O-N 2.88Å; G86-L88 PolarHBondContact O-N 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.4Å; G86-S91 PolarHBondContact O-OG 3.34Å; G86-H168 PolarHBondContact O-CE1 3.07Å; G86-H168 PolarHBondContact O-NE2 3.09Å
87L84.4Confident85.6Confident38 Ų3841.9 Ų41.920%0.19923%0.226CC..THydrogen-bonded Turntrans-81.3-6.7178.9-58.4177.9000112.5N83 L84 L85 E203 I204 A207N83-L87 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 2.92Å; L85-L87 PolarHBondContact O-N 3Å; L87-E203 HydrophobicContact CD1-CG 4.5Å; L87-E203 HydrophobicContact CD2-CB 4.31Å; L87-E203 HydrophobicContact CD2-CG 3.51Å; L87-E203 WeakPolarHBondContact CD2-OE1 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.15Å
88L85.3Confident85.3Confident99 Ų9943.6 Ų43.652%0.51823%0.234SC..SBendtrans-68.4143.3176.4-65.2173.1000110.6L85 G86 H90 S91L85-L88 WeakPolarHBondContact O-CB 3.34Å; L85-L88 WeakPolarHBondContact O-CG 3.05Å; L85-L88 PolarHBondContact O-N 2.93Å; G86-L88 PolarHBondContact O-N 3.26Å; L88-H90 PolarHBondContact O-N 3.41Å; L88-S91 PolarHBondContact O-N 3.45Å; L88-S91 PolarHBondContact O-OG 3.17Å
89P79.8Confident85.1Confident111 Ų11145.3 Ų45.372%0.72125%0.252SS*.THydrogen-bonded Turntrans-59.7133.6179.924.9-33.7000110.6S91P89-S91 PolarHBondContact O-N 3.08Å
90H80.7Confident85Confident202 Ų20247.3 Ų47.394%0.93526%0.262SS*.THydrogen-bonded Turntrans59.118.1-179.5-55.1-63000115.8L88L88-H90 PolarHBondContact O-N 3.41Å
91S82.2Confident84.8Confident35 Ų3546 Ų4625%0.24525%0.251CS..  trans-81.8140171.374.10000111L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.33Å; G86-S91 WeakPolarHBondContact CA-OG 3.4Å; G86-S91 PolarHBondContact O-OG 3.34Å; L88-S91 PolarHBondContact O-N 3.45Å; L88-S91 PolarHBondContact O-OG 3.17Å; P89-S91 PolarHBondContact O-N 3.08Å
92F80.6Confident84.6Confident28 Ų2846.7 Ų46.712%0.12325%0.254CS..  trans-86.3124.4170171.7-94.1000109.2S8 A11 P12 A20 I23 Q97S8-F92 WeakPolarHBondContact O-CD2 3.09Å; A11-F92 HydrophobicContact CB-CZ 4.44Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.08Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.05Å; A20-F92 HydrophobicContact CB-CE1 4.33Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.83Å; I23-F92 HydrophobicContact CD1-CG 4.3Å; I23-F92 HydrophobicContact CG2-CD1 4.45Å; I23-F92 WeakPolarHBondContact CG2-O 3.35Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å
93T81.4Confident84.5Confident3 Ų349.4 Ų49.42%0.01828%0.277CS..  trans-94.1114.5177.532.70000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.33Å; T93-T96 PolarHBondContact O-N 3.1Å; T93-T96 PolarHBondContact O-OG1 3.4Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.43Å; T93-I164 HydrophobicContact CG2-CG2 4.33Å
94P80Confident84.3Confident12 Ų1250.5 Ų50.58%0.07828%0.282CS..G310 helixtrans-64-23175.726.3-33.3000112.5I24 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.66Å; I24-P94 HydrophobicContact CG1-CG 4.01Å; P94-T96 VanDerWaalsContact C-N 3.29Å; P94-T96 PolarHBondContact O-N 3.29Å; P94-Q97 PolarHBondContact O-N 3.37Å; P94-M100 WeakPolarHBondContact O-CB 3.41Å
95T83.5Confident84.2Confident2 Ų246.3 Ų46.31%0.01226%0.261CS..G310 helixtrans-76.4-8.2179.649.10000114.6T82 N83 T93 Q97 N101 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.28Å; N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.38Å; N83-T95 PolarHBondContact OD1-OG1 3.46Å; T93-T95 PolarHBondContact O-N 3.33Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 2.97Å; T95-L160 HydrophobicContact CG2-CD2 3.94Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.28Å
96T83.6Confident84.1Confident9 Ų948.7 Ų48.76%0.05527%0.273CS..G310 helixtrans-74.1-26.6169.454.80000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; T93-T96 PolarHBondContact O-N 3.1Å; T93-T96 PolarHBondContact O-OG1 3.4Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.43Å; P94-T96 VanDerWaalsContact C-N 3.29Å; P94-T96 PolarHBondContact O-N 3.29Å; T96-L98 PolarHBondContact O-N 2.99Å; T96-T161 WeakPolarHBondContact O-CG2 3.25Å; T96-I164 HydrophobicContact CG2-CB 4.28Å; T96-I164 HydrophobicContact CG2-CG2 3.6Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å
97Q87.1Confident84.3Confident65 Ų6552.4 Ų52.430%0.30430%0.297SS..SBendtrans-77.7119.1178.7-63.5-62.5-3800109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.29Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å; P94-Q97 PolarHBondContact O-N 3.37Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.21Å; Q97-M100 PolarHBondContact O-N 2.83Å; Q97-N101 PolarHBondContact O-N 3.22Å
98L84.6Confident84.4Confident69 Ų6951.5 Ų51.536%0.36129%0.292SS..Hα-helixtrans-56.7-34178-176.965.1000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 2.99Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.34Å; L98-N101 PolarHBondContact O-N 3.42Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 2.85Å; L98-M154 HydrophobicContact CD2-CE 4.26Å; L98-A157 HydrophobicContact CD1-CB 4.42Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.41Å; L98-T161 HydrophobicContact CB-CG2 4Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å
99S86.7Confident84.4Confident84 Ų8448.6 Ų48.659%0.58727%0.274SS*.Hα-helixtrans-56.1-43176.455.90000112.7Q97 A103Q97-S99 PolarHBondContact O-N 3.21Å; S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 3.04Å
100M86.2Confident84.6Confident43 Ų4344.6 Ų44.621%0.21225%0.25CS..Hα-helixtrans-69.2-46.6-178.6-175.361.3-172.500111.4I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.4Å; F78-M100 HydrophobicContact CE1-CE 4.01Å; F78-M100 HydrophobicContact CZ-CE 3.97Å; P94-M100 WeakPolarHBondContact O-CB 3.41Å; Q97-M100 PolarHBondContact O-N 2.83Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.34Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-L102 PolarHBondContact O-N 2.73Å; M100-A103 PolarHBondContact O-N 3.49Å; M100-M104 HydrophobicContact CE-CE 3.87Å; M100-M104 HydrophobicContact CE-CG 4.35Å; M100-M104 HydrophobicContact CE-SD 4.2Å; M100-M104 HydrophobicContact CG-CE 3.69Å; M100-M104 PolarHBondContact O-N 3.01Å; M100-M104 HydrophobicContact SD-CE 4.46Å
101N86.7Confident84.8Confident1 Ų136 Ų361%0.00522%0.216CC..Hα-helixtrans-66.6-37.1-179.8-66.4-12.4000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.97Å; Q97-N101 PolarHBondContact O-N 3.22Å; L98-N101 PolarHBondContact O-N 3.42Å; N101-M104 PolarHBondContact O-N 3.49Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.4Å; N101-A105 PolarHBondContact O-N 2.96Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 2.93Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.46Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.48Å; N101-T161 HydrophobicContact CB-CG2 4.35Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.1Å; N101-T161 PolarHBondContact ND2-N 3.37Å
102L85Confident84.8Confident45 Ų4534.4 Ų34.424%0.23621%0.205CC..Hα-helixtrans-70-39.2177.1-160.967.9000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 2.85Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-L102 PolarHBondContact O-N 2.73Å; L102-M104 PolarHBondContact O-N 2.92Å; L102-A105 PolarHBondContact O-N 3.17Å; L102-I106 HydrophobicContact CD1-CD1 3.84Å; L102-I106 HydrophobicContact CD1-CG1 3.96Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.52Å; L102-I106 HydrophobicContact CG-CG1 3.99Å; L102-I106 WeakPolarHBondContact O-CG1 3.22Å; L102-I106 PolarHBondContact O-N 3.06Å; L102-M154 HydrophobicContact CD1-SD 3.41Å; L102-M154 WeakPolarHBondContact CD1-SD 3.34Å; L102-M154 HydrophobicContact CD2-SD 4.3Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 4Å
103A87.7Confident84.9Confident63 Ų6333.7 Ų33.752%0.52120%0.203SC..Hα-helixtrans-63.1-29173.400000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 3.04Å; M100-A103 PolarHBondContact O-N 3.49Å; A103-P107 WeakPolarHBondContact O-CD 3.39Å; A103-P107 WeakPolarHBondContact O-CG 3.16Å
104M84.4Confident84.9Confident26 Ų2638.3 Ų38.313%0.12823%0.227CC..Hα-helixtrans-79-47171-70.8-173.3-91.300112.2F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-CE 4.13Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 3.87Å; M100-M104 HydrophobicContact CE-CG 4.35Å; M100-M104 HydrophobicContact CE-SD 4.2Å; M100-M104 HydrophobicContact CG-CE 3.69Å; M100-M104 PolarHBondContact O-N 3.01Å; M100-M104 HydrophobicContact SD-CE 4.46Å; N101-M104 PolarHBondContact O-N 3.49Å; L102-M104 PolarHBondContact O-N 2.92Å; M104-L108 WeakPolarHBondContact O-CD1 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å
105A85.6Confident85Confident3 Ų340 Ų403%0.02523%0.234CC..Hα-helixtrans-70.6-44.1-171.300000113.7N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.4Å; N101-A105 PolarHBondContact O-N 2.96Å; L102-A105 PolarHBondContact O-N 3.17Å; A105-L108 PolarHBondContact O-N 3.03Å; A105-W109 WeakPolarHBondContact O-CB 3.1Å; A105-W109 PolarHBondContact O-N 3.08Å; A105-A157 HydrophobicContact CB-CB 4.24Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.18Å
106I86.8Confident84.5Confident83 Ų8340 Ų4043%0.42623%0.234SC..Hα-helixtrans-62.9-50.1-174.9-66.3177.3000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.84Å; L102-I106 HydrophobicContact CD1-CG1 3.96Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.52Å; L102-I106 HydrophobicContact CG-CG1 3.99Å; L102-I106 WeakPolarHBondContact O-CG1 3.22Å; L102-I106 PolarHBondContact O-N 3.06Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.31Å; I106-W109 PolarHBondContact O-N 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.21Å; I106-A110 PolarHBondContact O-N 3.35Å
107P88.4Confident84.2Confident80 Ų8043.4 Ų43.452%0.51925%0.248SC..Hα-helixtrans-64.5-37.3-179.1-24.236.6000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.39Å; A103-P107 WeakPolarHBondContact O-CG 3.16Å; P107-G111 PolarHBondContact O-N 3.32Å
108L86.6Confident83.7Confident19 Ų1950.5 Ų50.510%0.09927%0.272CS..Hα-helixtrans-64.1-48.6178-72.2168.7000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.11Å; M71-L108 HydrophobicContact CG-CD2 4.36Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å; L75-L108 HydrophobicContact CD1-CD1 3.47Å; L75-L108 VanDerWaalsContact CD1-CD1 3.47Å; L75-L108 HydrophobicContact CD2-CD1 3.87Å; L75-L108 HydrophobicContact CG-CD1 4.32Å; M104-L108 WeakPolarHBondContact O-CD1 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å; A105-L108 PolarHBondContact O-N 3.03Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.31Å; L108-G111 PolarHBondContact O-N 2.89Å; L108-A112 PolarHBondContact O-N 3.46Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.07Å; L108-F214 HydrophobicContact CD1-CZ 4.47Å; L108-V218 HydrophobicContact CB-CG1 4.47Å
109W85.1Confident82.8Confident38 Ų3849.6 Ų49.614%0.14427%0.272CS..Hα-helixtrans-64.1-47.1176.8173.290.8000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.1Å; A105-W109 PolarHBondContact O-N 3.08Å; I106-W109 PolarHBondContact O-N 3.29Å; W109-G111 VanDerWaalsContact C-N 3.27Å; W109-G111 PolarHBondContact O-N 3.44Å; W109-A112 PolarHBondContact O-N 3.13Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.03Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.31Å; W109-V113 HydrophobicContact CZ2-CG2 3.86Å; W109-V113 WeakPolarHBondContact O-CG2 3.09Å; W109-V113 PolarHBondContact O-N 3.11Å; W109-L149 HydrophobicContact CH2-CD2 4.11Å; W109-L149 HydrophobicContact CZ2-CD2 3.45Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.45Å; W109-L149 HydrophobicContact CZ2-CG 3.83Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.31Å; W109-L149 PolarHBondContact NE1-O 2.89Å; W109-L150 HydrophobicContact CH2-CD2 3.68Å; W109-L150 HydrophobicContact CZ2-CD2 4.22Å; W109-L150 HydrophobicContact CZ3-CD2 4.48Å; W109-P153 HydrophobicContact CB-CB 3.9Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.83Å; W109-P153 HydrophobicContact CE3-CG 4.39Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A84.4Confident82Confident27 Ų2750.2 Ų50.222%0.22326%0.264CS..Hα-helixtrans-60.5-40.5178.800000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.21Å; I106-A110 PolarHBondContact O-N 3.35Å; A110-V113 PolarHBondContact O-N 2.68Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.34Å; A110-I114 WeakPolarHBondContact O-CD1 3.49Å; A110-I114 WeakPolarHBondContact O-CG1 3.14Å; A110-I114 PolarHBondContact O-N 3.48Å
111G84.4Confident80.9Confident21 Ų2153.3 Ų53.322%0.21628%0.28CS..Hα-helixtrans-59.6-45.9174.500000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.32Å; L108-G111 PolarHBondContact O-N 2.89Å; W109-G111 VanDerWaalsContact C-N 3.27Å; W109-G111 PolarHBondContact O-N 3.44Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 3.3Å
112A82.1Confident79.7Confident2 Ų262.3 Ų62.32%0.01732%0.319CS..Hα-helixtrans-63.1-45.8177.200000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.46Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.13Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.36Å; A112-G116 PolarHBondContact O-N 3.21Å; A112-L222 HydrophobicContact CB-CD1 4.46Å
113V81.8Confident78.8Confident13 Ų1364.8 Ų64.88%0.07933%0.333CS..Hα-helixtrans-64.8-46.6179.1172.40000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.03Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.31Å; W109-V113 HydrophobicContact CZ2-CG2 3.86Å; W109-V113 WeakPolarHBondContact O-CG2 3.09Å; W109-V113 PolarHBondContact O-N 3.11Å; A110-V113 PolarHBondContact O-N 2.68Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.82Å; V113-G116 PolarHBondContact O-N 3.29Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.61Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.43Å; V113-F117 PolarHBondContact O-N 3.37Å
114I83.4Confident77.5Confident100 Ų10062.6 Ų62.651%0.51332%0.315SS..Hα-helixtrans-61.4-39.2176.8-68.2163.7000110.5A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.34Å; A110-I114 WeakPolarHBondContact O-CD1 3.49Å; A110-I114 WeakPolarHBondContact O-CG1 3.14Å; A110-I114 PolarHBondContact O-N 3.48Å; I114-F117 PolarHBondContact O-N 3.29Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.29Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 3.23Å
115M80.1Confident76.4Confident47 Ų4765.6 Ų65.623%0.23233%0.331CS..Hα-helixtrans-65.4-38.5175.9-172.3171.9-178.500112.1W68 G111 A112 V113 R118 S119 T226W68-M115 HydrophobicContact CZ2-SD 3.93Å; W68-M115 PolarHBondContact NE1-SD 3.39Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 3.3Å; A112-M115 PolarHBondContact O-N 3.36Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.82Å; M115-R118 PolarHBondContact O-N 3.08Å; M115-S119 WeakPolarHBondContact O-CB 3.3Å; M115-S119 PolarHBondContact O-N 3.36Å; M115-S119 PolarHBondContact O-OG 3.26Å; M115-T226 HydrophobicContact CE-CG2 4.41Å
116G74.1Confident75.2Confident1 Ų168 Ų681%0.0135%0.351CS..Hα-helixtrans-61.1-50.4173.400000112.7A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.21Å; V113-G116 PolarHBondContact O-N 3.29Å; V113-G116 VanDerWaalsContact O-N 3.14Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.22Å; G116-S119 PolarHBondContact O-N 2.93Å; G116-S119 PolarHBondContact O-OG 3.39Å; G116-K120 PolarHBondContact O-N 3.5Å; G116-N225 VanDerWaalsContact CA-O 3.27Å; G116-N225 WeakPolarHBondContact CA-O 3.5Å
117F77Confident74Confident81 Ų8169.5 Ų69.536%0.35536%0.356SS..Hα-helixtrans-60-40.5175.4-77.4-63.3000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.61Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.43Å; V113-F117 PolarHBondContact O-N 3.37Å; I114-F117 PolarHBondContact O-N 3.29Å; F117-I121 WeakPolarHBondContact O-CG1 3.47Å; F117-A124 HydrophobicContact CD1-CB 4.29Å; F117-A124 HydrophobicContact CE1-CB 4.38Å; F117-L125 HydrophobicContact CD1-CD1 4.22Å; F117-L125 HydrophobicContact CE1-CD1 3.82Å; F117-F128 HydrophobicContact CZ-CE2 4.49Å
118R75.7Confident72.7Confident215 Ų21567.4 Ų67.481%0.81134%0.338SS*.Hα-helixtrans-70-34.3179-73.9-179.469.8-166.91.9113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.29Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 3.23Å; M115-R118 PolarHBondContact O-N 3.08Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.22Å
119S67.6Low71.4Confident50 Ų5069.6 Ų69.635%0.3535%0.35SS..Hα-helixtrans-87.4-40.6-172.875.30000113.3M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.3Å; M115-S119 PolarHBondContact O-N 3.36Å; M115-S119 PolarHBondContact O-OG 3.26Å; G116-S119 PolarHBondContact O-N 2.93Å; G116-S119 PolarHBondContact O-OG 3.39Å; S119-N225 PolarHBondContact OG-O 2.84Å
120K68.8Low70.2Confident96 Ų9671.1 Ų71.142%0.41737%0.365SS..  trans-14872.8-176.4-67.3175.6-178.6157.80111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.5Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 2.92Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K120-N123 HydrophobicContact CB-CB 3.88Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.4Å; K120-N123 VanDerWaalsContact O-N 3.08Å; K120-A124 WeakPolarHBondContact O-CB 3.31Å; K120-A124 PolarHBondContact O-N 2.87Å; K120-T226 WeakPolarHBondContact CE-O 3.38Å; K120-T226 PolarHBondContact NZ-O 3.48Å; K120-T226 PolarHBondContact NZ-OXT 3.2Å
121I63Low69Low109 Ų10979.4 Ų79.456%0.55940%0.399SS*.Hα-helixtrans-47-48.5177-60171.3000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.47Å; I121-N123 PolarHBondContact O-N 2.87Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.14Å
122K61.3Low67.9Low190 Ų19082.3 Ų82.383%0.82643%0.429SS*.Hα-helixtrans-66.9-36.2-176.4-64.4-175.5-179.6-177.20113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 2.92Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.43Å; K122-A126 PolarHBondContact O-N 2.98Å
123N65.8Low67.3Low96 Ų9684 Ų8451%0.51344%0.439SS..Hα-helixtrans-79.8-36.5-178.5-151.658.5000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.88Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.4Å; K120-N123 VanDerWaalsContact O-N 3.08Å; I121-N123 PolarHBondContact O-N 2.87Å; N123-A126 PolarHBondContact O-N 3.48Å; N123-H127 PolarHBondContact O-N 3.32Å; N123-H127 VanDerWaalsContact O-N 3.08Å
124A61.3Low66.9Low18 Ų1887 Ų8715%0.14946%0.459CS..Hα-helixtrans-62.9-42.7172.900000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.29Å; F117-A124 HydrophobicContact CE1-CB 4.38Å; K120-A124 WeakPolarHBondContact O-CB 3.31Å; K120-A124 PolarHBondContact O-N 2.87Å; A124-H127 PolarHBondContact O-N 3.13Å
125L61.6Low66.5Low89 Ų8987.9 Ų87.947%0.46647%0.469SS..Hα-helixtrans-70.3-32.2174.4-88.482.1000112.9F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.22Å; F117-L125 HydrophobicContact CE1-CD1 3.82Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.14Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 2.88Å; L125-F128 PolarHBondContact O-N 3.31Å
126A60.3Low66.5Low54 Ų5490.8 Ų90.845%0.44649%0.491SS..Hα-helixtrans-67.9-28.3176.500000112.5K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.43Å; K122-A126 PolarHBondContact O-N 2.98Å; N123-A126 PolarHBondContact O-N 3.48Å; A126-F128 PolarHBondContact O-N 3.27Å; A126-L129 PolarHBondContact O-N 3.06Å; A126-L129 VanDerWaalsContact O-N 3.08Å
127H62.2Low66.8Low113 Ų11395.9 Ų95.952%0.52352%0.518SS..THydrogen-bonded Turntrans-67.3-18.1176.8-151.3-59.2000113.2N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.32Å; N123-H127 VanDerWaalsContact O-N 3.08Å; A124-H127 PolarHBondContact O-N 3.13Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 2.88Å; H127-L129 PolarHBondContact O-N 3.22Å
128F60.5Low66.8Low36 Ų3694.3 Ų94.316%0.15851%0.512CS..THydrogen-bonded Turntrans-71.1-13.9172-70.1-57.4000113.5F117 L125 A126 L141 E145 T146F117-F128 HydrophobicContact CZ-CE2 4.49Å; L125-F128 PolarHBondContact O-N 3.31Å; A126-F128 PolarHBondContact O-N 3.27Å; F128-L141 WeakPolarHBondContact O-CD2 3.23Å; F128-E145 HydrophobicContact CD1-CB 4.17Å; F128-E145 HydrophobicContact CD1-CG 3.78Å; F128-E145 HydrophobicContact CE1-CG 4.48Å; F128-T146 HydrophobicContact CD1-CG2 4.29Å; F128-T146 HydrophobicContact CE1-CG2 4.04Å; F128-T146 HydrophobicContact CZ-CG2 4.5Å
129L59.8Low67Low66 Ų6688.1 Ų88.135%0.34650%0.5SS..SBendtrans-125.5113.2178.5-79.585.2000110.8A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.06Å; A126-L129 VanDerWaalsContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 3.22Å; L129-Q131 PolarHBondContact O-N 3.22Å; L129-I138 HydrophobicContact CD2-CD1 4.37Å; L129-I138 HydrophobicContact CD2-CG1 4.43Å; L129-I138 HydrophobicContact CD2-CG2 3.59Å; L129-I138 HydrophobicContact CG-CG2 4.27Å; L129-V142 HydrophobicContact CD1-CG2 3.64Å; L129-V142 HydrophobicContact CG-CG2 4.21Å
130P58.9Low67.7Low69 Ų6991.3 Ų91.345%0.44851%0.511SS..  trans-62.4136.9166.417.5-18.4000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 3.25Å; P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.26Å; P130-T133 PolarHBondContact O-OG1 3.34Å; P130-L141 HydrophobicContact CG-CD1 3.87Å; P130-L141 HydrophobicContact CG-CD2 4.05Å
131Q59.7Low68.4Low202 Ų20289 Ų8994%0.94450%0.503SS*.THydrogen-bonded Turntrans-63.3129.3-179.5-64.6-167.8-600110.1L129L129-Q131 PolarHBondContact O-N 3.22Å
132G61.4Low69.2Low82 Ų8286 Ų8685%0.84549%0.489SS*.THydrogen-bonded Turntrans95.815.7177.500000115.9P130P130-G132 PolarHBondContact O-N 3.25Å
133T69.2Low70.3Confident38 Ų3881.3 Ų81.323%0.23347%0.472CS..  trans-73.9134.317544.90000112.1P130 L141P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.26Å; P130-T133 PolarHBondContact O-OG1 3.34Å; T133-L141 HydrophobicContact CG2-CD1 3.86Å
134P72.4Confident71.2Confident76 Ų7681.2 Ų81.249%0.49447%0.471SS..  trans-67.4138.5177.728.6-34.5000110.3P136 L137P134-P136 VanDerWaalsContact C-N 3.3Å; P134-P136 VanDerWaalsContact O-CD 3.28Å; P134-P136 WeakPolarHBondContact O-CD 3.36Å; P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.25Å; P134-L137 PolarHBondContact O-N 3.08Å
135T74.9Confident72.3Confident118 Ų11883.4 Ų83.472%0.72448%0.478SS*.THydrogen-bonded Turntrans-49.6-30.3-171.948.80000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.46Å
136P81.6Confident73.2Confident107 Ų10781.6 Ų81.670%0.69547%0.471SS*.THydrogen-bonded Turntrans-75-27.4178.4-1429.5000114.2P134 P139P134-P136 VanDerWaalsContact C-N 3.3Å; P134-P136 VanDerWaalsContact O-CD 3.28Å; P134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-P139 WeakPolarHBondContact O-CD 3.42Å
137L79.3Confident74.3Confident108 Ų10883 Ų8357%0.56547%0.47SS*.THydrogen-bonded Turntrans-88.6-10.8-173.6-66.5176.7000113.2P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.25Å; P134-L137 PolarHBondContact O-N 3.08Å; L137-M140 PolarHBondContact O-N 2.96Å; L137-L141 PolarHBondContact O-N 2.99Å; L137-L141 VanDerWaalsContact O-N 3.11Å
138I78.4Confident75.3Confident48 Ų4880 Ų8025%0.24646%0.462CS..Hα-helixtrans-56-48.6-176.2-63.2177000112.5L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD2-CD1 4.37Å; L129-I138 HydrophobicContact CD2-CG1 4.43Å; L129-I138 HydrophobicContact CD2-CG2 3.59Å; L129-I138 HydrophobicContact CG-CG2 4.27Å; T135-I138 HydrophobicContact CG2-CD1 4.46Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.26Å; I138-L141 PolarHBondContact O-N 3.33Å; I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 WeakPolarHBondContact O-CG2 3.44Å; I138-V142 PolarHBondContact O-N 3.36Å; I138-V142 VanDerWaalsContact O-N 3.13Å
139P78.9Confident76.3Confident86 Ų8680.4 Ų80.456%0.55847%0.465SS*.Hα-helixtrans-63.8-37.2-176-21.433.9000112.9P136 I143P136-P139 WeakPolarHBondContact O-CD 3.42Å; P139-I143 WeakPolarHBondContact O-CG1 3.37Å; P139-I143 PolarHBondContact O-N 2.74Å
140M82.3Confident77.3Confident116 Ų11682.3 Ų82.357%0.57148%0.475SS*.Hα-helixtrans-70.3-41179.1-173.263.5-174.300111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.96Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.26Å; M140-I143 PolarHBondContact O-N 2.83Å; M140-I144 HydrophobicContact CE-CD1 4.04Å; M140-I144 HydrophobicContact CE-CG1 4.25Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.27Å; M140-I144 PolarHBondContact O-N 3.03Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L83.7Confident78.5Confident48 Ų4883.7 Ų83.725%0.25148%0.478SS..Hα-helixtrans-66.2-41.2-178.7-167.3151.7000111.8F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.23Å; P130-L141 HydrophobicContact CG-CD1 3.87Å; P130-L141 HydrophobicContact CG-CD2 4.05Å; T133-L141 HydrophobicContact CG2-CD1 3.86Å; L137-L141 PolarHBondContact O-N 2.99Å; L137-L141 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 3.33Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 2.99Å; L141-E145 WeakPolarHBondContact O-CB 2.96Å; L141-E145 PolarHBondContact O-N 2.87Å
142V80.5Confident79.5Confident45 Ų4577.4 Ų77.427%0.27345%0.449SS..Hα-helixtrans-59.4-42.7176.4173.70000110.9L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.64Å; L129-V142 HydrophobicContact CG-CG2 4.21Å; I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 WeakPolarHBondContact O-CG2 3.44Å; I138-V142 PolarHBondContact O-N 3.36Å; I138-V142 VanDerWaalsContact O-N 3.13Å; V142-E145 PolarHBondContact O-N 3.07Å; V142-T146 HydrophobicContact CG1-CG2 4.31Å; V142-T146 WeakPolarHBondContact O-CG2 3.3Å; V142-T146 PolarHBondContact O-N 2.95Å; V142-T146 PolarHBondContact O-OG1 3.39Å
143I84.2Confident80.2Confident92 Ų9274 Ų7447%0.47241%0.411SS..Hα-helixtrans-60.8-48.2176.8-66.4167000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.37Å; P139-I143 PolarHBondContact O-N 2.74Å; M140-I143 PolarHBondContact O-N 2.83Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.12Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 2.75Å; I143-T146 PolarHBondContact O-N 2.9Å; I143-T146 PolarHBondContact O-OG1 2.98Å; I143-I147 HydrophobicContact CG2-CD1 3.75Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.08Å; I143-I147 PolarHBondContact O-N 3.32Å
144I85Confident80.8Confident94 Ų9476 Ų7648%0.48242%0.419SS..Hα-helixtrans-61.3-43.6179.7-64.6165.7000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 4.04Å; M140-I144 HydrophobicContact CE-CG1 4.25Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.27Å; M140-I144 PolarHBondContact O-N 3.03Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 2.99Å; I144-I147 PolarHBondContact O-N 2.9Å; I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 2.95Å
145E82.9Confident81.4Confident64 Ų6474.4 Ų74.430%0.29941%0.412SS..Hα-helixtrans-66.2-40.2-179.8-165.762.1-15800111.5F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.17Å; F128-E145 HydrophobicContact CD1-CG 3.78Å; F128-E145 HydrophobicContact CE1-CG 4.48Å; L141-E145 WeakPolarHBondContact O-CB 2.96Å; L141-E145 PolarHBondContact O-N 2.87Å; V142-E145 PolarHBondContact O-N 3.07Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 2.75Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.96Å; E145-S148 PolarHBondContact O-N 3.47Å; E145-L149 WeakPolarHBondContact O-CB 3.41Å; E145-L149 PolarHBondContact O-N 3.48Å
146T80.5Confident81.4Confident52 Ų5269.1 Ų69.132%0.31938%0.38SS..Hα-helixtrans-62.5-38.3174.163.60000112.5F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.29Å; F128-T146 HydrophobicContact CE1-CG2 4.04Å; F128-T146 HydrophobicContact CZ-CG2 4.5Å; V142-T146 HydrophobicContact CG1-CG2 4.31Å; V142-T146 WeakPolarHBondContact O-CG2 3.3Å; V142-T146 PolarHBondContact O-N 2.95Å; V142-T146 PolarHBondContact O-OG1 3.39Å; I143-T146 PolarHBondContact O-N 2.9Å; I143-T146 PolarHBondContact O-OG1 2.98Å; T146-L150 WeakPolarHBondContact O-CG 3.44Å; T146-L150 PolarHBondContact O-N 3.42Å
147I84.6Confident81.4Confident82 Ų8264 Ų6442%0.42135%0.347SS..Hα-helixtrans-69-43.4176-67.8167.4000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.75Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.08Å; I143-I147 PolarHBondContact O-N 3.32Å; I144-I147 PolarHBondContact O-N 2.9Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.96Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.42Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.11Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 3.05Å
148S82.4Confident81.7Confident51 Ų5161.6 Ų61.636%0.35734%0.336SS..Hα-helixtrans-57.2-46.6177.6-176.40000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 2.95Å; E145-S148 PolarHBondContact O-N 3.47Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.75Å; S148-I151 PolarHBondContact O-N 3.07Å; S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.11Å
149L81.3Confident82Confident44 Ų4464.3 Ų64.323%0.2334%0.343CS..Hα-helixtrans-59.9-37177.4-172.1116000112.3W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.11Å; W109-L149 HydrophobicContact CZ2-CD2 3.45Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.45Å; W109-L149 HydrophobicContact CZ2-CG 3.83Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.31Å; W109-L149 PolarHBondContact NE1-O 2.89Å; E145-L149 WeakPolarHBondContact O-CB 3.41Å; E145-L149 PolarHBondContact O-N 3.48Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.42Å; L149-P153 WeakPolarHBondContact O-CD 3.49Å
150L80.9Confident81.9Confident106 Ų10660.2 Ų60.256%0.55532%0.317SS*.Hα-helixtrans-78.4-34.3177.7-71.8173000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.68Å; W109-L150 HydrophobicContact CZ2-CD2 4.22Å; W109-L150 HydrophobicContact CZ3-CD2 4.48Å; T146-L150 WeakPolarHBondContact O-CG 3.44Å; T146-L150 PolarHBondContact O-N 3.42Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.75Å; L150-P153 WeakPolarHBondContact O-CD 3.24Å; L150-P153 WeakPolarHBondContact O-CG 3.27Å
151I84Confident82Confident99 Ų9955.3 Ų55.351%0.50829%0.294SS..Hα-helixtrans-72.7-32.2-179.6-70.1173.5000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.11Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 3.05Å; S148-I151 PolarHBondContact O-N 3.07Å; I151-M154 CarbonylContact O-C 3.6Å; I151-M154 WeakPolarHBondContact O-CB 3.37Å; I151-M154 PolarHBondContact O-N 2.92Å; I151-M154 VanDerWaalsContact O-N 3.12Å; I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.12Å; I151-A155 PolarHBondContact O-N 3.42Å
152Q81.3Confident81.9Confident69 Ų6955 Ų5532%0.32230%0.297SS..Hα-helixtrans-50.7-53.3-177.8-109.4173.6-18.200116S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.15Å; Q152-A155 PolarHBondContact O-N 3.41Å; Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 PolarHBondContact O-N 3.35Å; Q152-Y221 HydrophobicContact CG-CE1 4.41Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.41Å; Q152-Y221 PolarHBondContact NE2-OH 3.5Å; Q152-Y221 PolarHBondContact OE1-OH 3.29Å
153P76.5Confident82.1Confident10 Ų1055.3 Ų55.37%0.06530%0.298CS..Hα-helixtrans-64.8-33.9178.624.4-34.8000112.3W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.9Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.83Å; W109-P153 HydrophobicContact CE3-CG 4.39Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.49Å; L150-P153 WeakPolarHBondContact O-CD 3.24Å; L150-P153 WeakPolarHBondContact O-CG 3.27Å; P153-A157 PolarHBondContact O-N 3.45Å; P153-A157 VanDerWaalsContact O-N 3.16Å
154M82.1Confident82Confident81 Ų8151.6 Ų51.640%0.39928%0.279SS..Hα-helixtrans-67.1-46.1175.1-172.464.3179.800111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.26Å; L102-M154 HydrophobicContact CD1-SD 3.41Å; L102-M154 WeakPolarHBondContact CD1-SD 3.34Å; L102-M154 HydrophobicContact CD2-SD 4.3Å; I151-M154 CarbonylContact O-C 3.6Å; I151-M154 WeakPolarHBondContact O-CB 3.37Å; I151-M154 PolarHBondContact O-N 2.92Å; I151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.15Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.32Å; M154-A157 PolarHBondContact O-N 3.2Å; M154-V158 HydrophobicContact CE-CG2 4.09Å; M154-V158 HydrophobicContact CG-CG2 4.44Å; M154-V158 WeakPolarHBondContact O-CB 3.47Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.15Å
155A83.1Confident82Confident42 Ų4248.9 Ų48.935%0.34727%0.267SS..Hα-helixtrans-61.7-36.7178.400000111.9I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.12Å; I151-A155 PolarHBondContact O-N 3.42Å; Q152-A155 PolarHBondContact O-N 3.41Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 3.16Å
156L76.9Confident82Confident7 Ų748.2 Ų48.24%0.03727%0.272CS..Hα-helixtrans-62.9-48.4175-163.984.7000111.9Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 PolarHBondContact O-N 3.35Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.32Å; L156-R159 PolarHBondContact O-N 3.49Å; L156-L160 PolarHBondContact O-N 3.28Å; L156-F214 HydrophobicContact CD1-CD2 4.21Å; L156-F214 HydrophobicContact CD2-CD1 4.21Å; L156-F214 HydrophobicContact CD2-CD2 3.27Å; L156-F214 HydrophobicContact CD2-CE1 4.09Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.57Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.19Å; L156-L217 HydrophobicContact CD1-CB 4.06Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.33Å; L156-V218 HydrophobicContact CD2-CG2 4.44Å
157A80.7Confident82.1Confident0 Ų047.8 Ų47.80%027%0.268CS..Hα-helixtrans-64.1-44.5179.400000111.6L98 N101 L102 A105 P153 M154 L160 T161L98-A157 HydrophobicContact CD1-CB 4.42Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 2.93Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 4Å; A105-A157 HydrophobicContact CB-CB 4.24Å; P153-A157 PolarHBondContact O-N 3.45Å; P153-A157 VanDerWaalsContact O-N 3.16Å; M154-A157 PolarHBondContact O-N 3.2Å; A157-L160 PolarHBondContact O-N 2.96Å; A157-T161 PolarHBondContact O-N 2.87Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.44Å
158V84.8Confident82.1Confident58 Ų5845.4 Ų45.435%0.35226%0.255SS..Hα-helixtrans-63.8-39.9177.2172.60000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 HydrophobicContact CE-CG2 4.09Å; M154-V158 HydrophobicContact CG-CG2 4.44Å; M154-V158 WeakPolarHBondContact O-CB 3.47Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.15Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.42Å; V158-T161 WeakPolarHBondContact CA-OG1 3.07Å; V158-T161 PolarHBondContact O-N 3Å; V158-T161 PolarHBondContact O-OG1 3.31Å; V158-A162 WeakPolarHBondContact O-CB 3.23Å; V158-A162 PolarHBondContact O-N 3.5Å
159R84.5Confident82.3Confident104 Ų10444.9 Ų44.939%0.39225%0.248SC..Hα-helixtrans-59.1-41.8177.2-170.4-174.2-61.71680.4111.5A155 L156 N163A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 3.16Å; L156-R159 PolarHBondContact O-N 3.49Å; R159-N163 WeakPolarHBondContact O-CB 3.13Å; R159-N163 PolarHBondContact O-N 3.04Å; R159-N163 PolarHBondContact O-OD1 2.99Å
160L78.6Confident82.6Confident1 Ų146.3 Ų46.31%0.00526%0.255CS..Hα-helixtrans-71.8-40.4-177.9-158.8138.4000111.7I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.67Å; T95-L160 HydrophobicContact CG2-CD2 3.94Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.46Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.48Å; L156-L160 PolarHBondContact O-N 3.28Å; A157-L160 PolarHBondContact O-N 2.96Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.42Å; L160-I164 HydrophobicContact CD2-CD1 3.65Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CD1 3.45Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.29Å; L160-Q210 HydrophobicContact CB-CG 4.28Å; L160-Q210 HydrophobicContact CD1-CG 3.78Å; L160-Q210 HydrophobicContact CG-CG 3.83Å; L160-Q210 VanDerWaalsContact N-NE2 3.15Å; L160-F214 HydrophobicContact CD1-CD2 4.09Å
161T82.6Confident82.9Confident13 Ų1342.9 Ų42.98%0.0824%0.237CC..Hα-helixtrans-67.6-45.8174.147.30000112.6T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.25Å; L98-T161 VanDerWaalsContact CA-CG2 3.41Å; L98-T161 HydrophobicContact CB-CG2 4Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å; N101-T161 HydrophobicContact CB-CG2 4.35Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.1Å; N101-T161 PolarHBondContact ND2-N 3.37Å; A157-T161 PolarHBondContact O-N 2.87Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.44Å; V158-T161 WeakPolarHBondContact CA-OG1 3.07Å; V158-T161 PolarHBondContact O-N 3Å; V158-T161 PolarHBondContact O-OG1 3.31Å; T161-N163 PolarHBondContact O-N 2.85Å; T161-I164 PolarHBondContact O-N 3.38Å; T161-T165 VanDerWaalsContact O-CB 3.31Å; T161-T165 WeakPolarHBondContact O-CB 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.39Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 2.88Å
162A82.2Confident83.1Confident40 Ų4041.9 Ų41.933%0.33123%0.23SC..Hα-helixtrans-63.5-44.4-172.400000110.7V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.23Å; V158-A162 PolarHBondContact O-N 3.5Å; A162-T165 PolarHBondContact O-OG1 2.79Å; A162-A166 WeakPolarHBondContact O-CB 3.01Å; A162-A166 PolarHBondContact O-N 3.19Å
163N84.8Confident83.4Confident53 Ų5342.9 Ų42.928%0.28324%0.237SC..Hα-helixtrans-62.6-54.2178.3-65.80.7000110.5R159 T161 T165 A166 D167R159-N163 WeakPolarHBondContact O-CB 3.13Å; R159-N163 PolarHBondContact O-N 3.04Å; R159-N163 PolarHBondContact O-OD1 2.99Å; T161-N163 PolarHBondContact O-N 2.85Å; N163-T165 VanDerWaalsContact C-N 3.35Å; N163-T165 PolarHBondContact O-N 3.04Å; N163-A166 PolarHBondContact O-N 3.18Å; N163-D167 VanDerWaalsContact O-CB 3.25Å; N163-D167 WeakPolarHBondContact O-CB 3.48Å; N163-D167 PolarHBondContact O-N 3.21Å
164I81.9Confident84Confident14 Ų1444 Ų447%0.07224%0.242CC..Hα-helixtrans-65.5-37.3-175.2-58.1171000112N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.47Å; T93-I164 HydrophobicContact CG2-CG2 4.33Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.28Å; T96-I164 HydrophobicContact CG2-CB 4.28Å; T96-I164 HydrophobicContact CG2-CG2 3.6Å; L160-I164 HydrophobicContact CD2-CD1 3.65Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CD1 3.45Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.29Å; T161-I164 PolarHBondContact O-N 3.38Å; I164-H168 WeakPolarHBondContact O-CB 3.38Å; I164-H168 PolarHBondContact O-CD2 3.28Å; I164-H168 PolarHBondContact O-N 3.33Å
165T84.4Confident84.3Confident37 Ų3741.3 Ų41.323%0.22724%0.235CC..Hα-helixtrans-70.7-44.7177.253.20000112.4F9 T96 T161 A162 N163 D167 L169F9-T165 HydrophobicContact CD1-CG2 4.34Å; F9-T165 HydrophobicContact CE1-CG2 4.04Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å; T161-T165 VanDerWaalsContact O-CB 3.31Å; T161-T165 WeakPolarHBondContact O-CB 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.39Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 2.88Å; A162-T165 PolarHBondContact O-OG1 2.79Å; N163-T165 VanDerWaalsContact C-N 3.35Å; N163-T165 PolarHBondContact O-N 3.04Å; T165-D167 VanDerWaalsContact C-N 3.35Å; T165-L169 WeakPolarHBondContact O-CB 3.44Å; T165-L169 WeakPolarHBondContact O-CG 3.09Å; T165-L169 PolarHBondContact O-N 3.21Å; T165-L169 VanDerWaalsContact O-N 3.07Å
166A84.3Confident84.5Confident50 Ų5041.8 Ų41.841%0.41324%0.236SC..Hα-helixtrans-64.8-42.1178.600000111.1A162 N163 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.01Å; A162-A166 PolarHBondContact O-N 3.19Å; N163-A166 PolarHBondContact O-N 3.18Å; A166-L169 PolarHBondContact O-N 3.37Å; A166-L170 VanDerWaalsContact O-CB 3.22Å; A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 PolarHBondContact O-N 3.41Å
167D82.6Confident85Confident43 Ų4343.3 Ų43.323%0.2325%0.25CC..Hα-helixtrans-66.8-43.2-177.7-62.2-23.6000110.9N163 T165 L169 L170 M171 E203N163-D167 VanDerWaalsContact O-CB 3.25Å; N163-D167 WeakPolarHBondContact O-CB 3.48Å; N163-D167 PolarHBondContact O-N 3.21Å; T165-D167 VanDerWaalsContact C-N 3.35Å; D167-L169 PolarHBondContact O-N 3.24Å; D167-L170 PolarHBondContact O-N 3.43Å; D167-M171 PolarHBondContact O-N 3.37Å; D167-E203 HydrophobicContact CB-CG 3.77Å; D167-E203 WeakPolarHBondContact CB-OE1 3.45Å
168H84.4Confident85.4Confident31 Ų3144.2 Ų44.214%0.14426%0.255CS..Hα-helixtrans-60.8-44.3172.6-98.5-94.5000113.4F9 G86 I164 L170 H172 E203F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 3.07Å; G86-H168 PolarHBondContact O-NE2 3.09Å; I164-H168 WeakPolarHBondContact O-CB 3.38Å; I164-H168 PolarHBondContact O-CD2 3.28Å; I164-H168 PolarHBondContact O-N 3.33Å; H168-L170 VanDerWaalsContact C-N 3.3Å; H168-L170 PolarHBondContact O-N 2.95Å; H168-H172 WeakPolarHBondContact O-CB 3.38Å; H168-H172 PolarHBondContact O-N 3.2Å; H168-E203 IonicContact CD2-OE1 3.95Å
169L85.8Confident85.6Confident41 Ų4147.5 Ų47.522%0.21527%0.27CS..Hα-helixtrans-62.2-41.3176.2-79169.2000111.2L5 F6 F9 T165 A166 D167 H172 L173L5-L169 HydrophobicContact CB-CD2 4.17Å; F6-L169 HydrophobicContact CE1-CD1 4.09Å; F6-L169 HydrophobicContact CE1-CD2 4.16Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.37Å; F9-L169 HydrophobicContact CE2-CD2 3.81Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CZ-CG 3.97Å; T165-L169 WeakPolarHBondContact O-CB 3.44Å; T165-L169 WeakPolarHBondContact O-CG 3.09Å; T165-L169 PolarHBondContact O-N 3.21Å; T165-L169 VanDerWaalsContact O-N 3.07Å; A166-L169 PolarHBondContact O-N 3.37Å; D167-L169 PolarHBondContact O-N 3.24Å; L169-H172 PolarHBondContact O-N 2.98Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 2.75Å
170L87.4Confident85.7Confident73 Ų7344.7 Ų44.738%0.38227%0.269SS..Hα-helixtrans-69.6-41.6-178-169.7148.1000111.4A166 D167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.22Å; A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 PolarHBondContact O-N 3.41Å; D167-L170 PolarHBondContact O-N 3.43Å; H168-L170 VanDerWaalsContact C-N 3.3Å; H168-L170 PolarHBondContact O-N 2.95Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.93Å; L170-L173 PolarHBondContact O-N 3.11Å; L170-I174 HydrophobicContact CD2-CD1 3.5Å; L170-I174 VanDerWaalsContact CD2-CD1 3.5Å; L170-I174 HydrophobicContact CD2-CG1 4.33Å; L170-I174 HydrophobicContact CG-CD1 4.33Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.46Å; L170-L199 HydrophobicContact CD2-CD1 3.18Å; L170-L199 HydrophobicContact CD2-CD2 3.37Å; L170-L199 HydrophobicContact CD2-CG 3.84Å
171M87.8Confident86.1Confident34 Ų3447.7 Ų47.717%0.16728%0.284CS..Hα-helixtrans-57.9-44.9170.2-81.1-166.1-69.500112.1D167 G175 L199 T200 E203D167-M171 PolarHBondContact O-N 3.37Å; M171-G175 PolarHBondContact O-N 3.4Å; M171-L199 HydrophobicContact CB-CD2 4.47Å; M171-L199 HydrophobicContact CG-CD2 3.48Å; M171-L199 VanDerWaalsContact CG-CD2 3.48Å; M171-T200 HydrophobicContact SD-CG2 4.07Å; M171-E203 VanDerWaalsContact CE-CD 3.41Å; M171-E203 WeakPolarHBondContact CE-OE1 3.46Å; M171-E203 WeakPolarHBondContact CE-OE2 3.34Å; M171-E203 WeakPolarHBondContact CG-OE2 3.25Å
172H87.5Confident86.3Confident78 Ų7850.1 Ų50.136%0.36130%0.301SS..Hα-helixtrans-65.5-41.1179.7-168-65.7000111.9L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.01Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.1Å; H168-H172 WeakPolarHBondContact O-CB 3.38Å; H168-H172 PolarHBondContact O-N 3.2Å; L169-H172 PolarHBondContact O-N 2.98Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.93Å; H172-G175 PolarHBondContact O-N 3Å; H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 2.86Å; H172-S176 PolarHBondContact O-OG 2.99Å
173L88.1Confident86.5Confident91 Ų9153.9 Ų53.948%0.47632%0.32SS..Hα-helixtrans-64.4-48.1177.5-74.8170.4000111.3L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.06Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 2.75Å; L170-L173 PolarHBondContact O-N 3.11Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.06Å; L173-S176 PolarHBondContact O-N 3.32Å; L173-S176 PolarHBondContact O-OG 2.99Å; L173-A177 WeakPolarHBondContact O-CB 3.34Å; L173-A177 PolarHBondContact O-N 3.09Å
174I89.3Confident86.6Confident33 Ų3356.5 Ų56.517%0.16933%0.333CS..Hα-helixtrans-64.4-40.1177.1-64.5176.8000110.5L170 S176 A177 T178 I192 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.5Å; L170-I174 VanDerWaalsContact CD2-CD1 3.5Å; L170-I174 HydrophobicContact CD2-CG1 4.33Å; L170-I174 HydrophobicContact CG-CD1 4.33Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.46Å; I174-S176 PolarHBondContact O-N 2.98Å; I174-A177 WeakPolarHBondContact O-CB 3.29Å; I174-A177 PolarHBondContact O-N 2.91Å; I174-T178 HydrophobicContact CG2-CG2 4.43Å; I174-T178 WeakPolarHBondContact O-CG2 3.46Å; I174-T178 PolarHBondContact O-N 3.22Å; I174-I192 HydrophobicContact CG2-CG2 3.91Å; I174-L196 HydrophobicContact CB-CD1 4.27Å; I174-L196 HydrophobicContact CG2-CB 4.02Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD1 4.28Å
175G88.3Confident86.9Confident24 Ų2460.3 Ų60.325%0.24735%0.354CS..Hα-helixtrans-62.4-39.1175.200000113.5M171 H172 L173 A177 T178 L179M171-G175 PolarHBondContact O-N 3.4Å; H172-G175 PolarHBondContact O-N 3Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.06Å; G175-A177 VanDerWaalsContact C-N 3.34Å; G175-T178 PolarHBondContact O-OG1 3.32Å; G175-L179 WeakPolarHBondContact O-CB 3.17Å; G175-L179 PolarHBondContact O-N 3.03Å; G175-L179 VanDerWaalsContact O-N 3.14Å
176S87.8Confident87Confident53 Ų5365.4 Ų65.437%0.37138%0.379SS..Hα-helixtrans-68.1-36.2173.672.30000111.9H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 2.86Å; H172-S176 PolarHBondContact O-OG 2.99Å; L173-S176 PolarHBondContact O-N 3.32Å; L173-S176 PolarHBondContact O-OG 2.99Å; I174-S176 PolarHBondContact O-N 2.98Å; S176-L179 PolarHBondContact O-N 3.45Å; S176-A180 WeakPolarHBondContact O-CB 3.27Å; S176-A180 PolarHBondContact O-N 3.27Å
177A87.3Confident87.2Confident39 Ų3967.4 Ų67.432%0.32239%0.388SS..Hα-helixtrans-68.6-41176.400000112L173 I174 G175 L179 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.34Å; L173-A177 PolarHBondContact O-N 3.09Å; I174-A177 WeakPolarHBondContact O-CB 3.29Å; I174-A177 PolarHBondContact O-N 2.91Å; G175-A177 VanDerWaalsContact C-N 3.34Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.47Å; A177-A180 PolarHBondContact O-N 3.47Å; A177-M181 WeakPolarHBondContact O-CB 3.48Å; A177-M181 WeakPolarHBondContact O-CG 3.3Å; A177-M181 PolarHBondContact O-N 3.47Å
178T89.2Confident87.4Confident19 Ų1967.1 Ų67.112%0.11739%0.389CS..Hα-helixtrans-61.4-42.4174.356.40000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.43Å; I174-T178 WeakPolarHBondContact O-CG2 3.46Å; I174-T178 PolarHBondContact O-N 3.22Å; G175-T178 PolarHBondContact O-OG1 3.32Å; T178-M181 PolarHBondContact O-N 3.34Å; T178-S182 WeakPolarHBondContact O-CB 3.48Å; T178-S182 PolarHBondContact O-N 3.36Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.34Å
179L88.5Confident87.7Confident126 Ų12666.8 Ų66.866%0.6639%0.389SS*.Hα-helixtrans-66-42.8179.1-162.8144.1000111.6G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.17Å; G175-L179 PolarHBondContact O-N 3.03Å; G175-L179 VanDerWaalsContact O-N 3.14Å; S176-L179 PolarHBondContact O-N 3.45Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.47Å; L179-S182 WeakPolarHBondContact O-CB 3.2Å; L179-S182 PolarHBondContact O-N 2.88Å; L179-S182 PolarHBondContact O-OG 3.27Å
180A87.6Confident87.9Confident46 Ų4670.4 Ų70.438%0.3841%0.408SS..Hα-helixtrans-63-45.2174.500000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.27Å; S176-A180 PolarHBondContact O-N 3.27Å; A177-A180 PolarHBondContact O-N 3.47Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.22Å; A180-T183 PolarHBondContact O-N 2.87Å; A180-T183 PolarHBondContact O-OG1 3.4Å
181M86.4Confident88.1Confident64 Ų6472.1 Ų72.132%0.31542%0.416SS..Hα-helixtrans-68.9-25.7-179.3-68.1-62.3113.200113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.48Å; A177-M181 WeakPolarHBondContact O-CG 3.3Å; A177-M181 PolarHBondContact O-N 3.47Å; T178-M181 PolarHBondContact O-N 3.34Å; M181-T183 PolarHBondContact O-N 2.84Å; M181-T183 VanDerWaalsContact O-N 3.17Å; M181-I184 HydrophobicContact CE-CD1 3.64Å; M181-I184 PolarHBondContact O-N 3.34Å; M181-I184 HydrophobicContact SD-CD1 4.17Å; M181-N185 PolarHBondContact O-N 3.34Å; M181-T189 PolarHBondContact O-OG1 2.57Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.67Å
182S86.6Confident88.3Confident64 Ų6472.5 Ų72.545%0.44842%0.419SS..Hα-helixtrans-57.8-29.7176.877.90000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.48Å; T178-S182 PolarHBondContact O-N 3.36Å; L179-S182 WeakPolarHBondContact O-CB 3.2Å; L179-S182 PolarHBondContact O-N 2.88Å; L179-S182 PolarHBondContact O-OG 3.27Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.22Å; S182-T189 VanDerWaalsContact CA-OG1 3.27Å; S182-T189 WeakPolarHBondContact CA-OG1 3.47Å; S182-T189 PolarHBondContact N-OG1 2.8Å
183T86.5Confident88.4Confident119 Ų11973.8 Ų73.873%0.7342%0.424SS*.THydrogen-bonded Turntrans-80.9-19.8178.867.50000113.7A180 M181A180-T183 PolarHBondContact O-N 2.87Å; A180-T183 PolarHBondContact O-OG1 3.4Å; M181-T183 PolarHBondContact O-N 2.84Å; M181-T183 VanDerWaalsContact O-N 3.17Å
184I87.4Confident88.6Confident108 Ų10873.1 Ų73.155%0.55442%0.423SS*.THydrogen-bonded Turntrans-98.9-57.7-173.1-60.1165.5000110.4M181M181-I184 HydrophobicContact CE-CD1 3.64Å; M181-I184 PolarHBondContact O-N 3.34Å; M181-I184 HydrophobicContact SD-CD1 4.17Å
185N87.8Confident88.8Confident94 Ų9475.5 Ų75.550%0.50344%0.436SS..  trans-147.7123.7-173.7-88-20.9000111.5M181 S188 T189M181-N185 PolarHBondContact O-N 3.34Å; N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 2.96Å; N185-S188 PolarHBondContact O-OG 2.97Å; N185-T189 PolarHBondContact O-N 3.28Å; N185-T189 PolarHBondContact O-OG1 3.04Å
186L86.3Confident88.9Confident143 Ų14375.9 Ų75.975%0.74943%0.432SS*.Hα-helixtrans-61.6-45.2176.7-16086.1000114.2S188 T189 L190L186-S188 PolarHBondContact O-N 3.3Å; L186-T189 WeakPolarHBondContact O-CB 3.25Å; L186-T189 PolarHBondContact O-N 3.46Å; L186-L190 PolarHBondContact O-N 3.41Å
187P88.1Confident89.1Confident93 Ų9377 Ų7760%0.60443%0.433SS*.Hα-helixtrans-69.2-37.1-174.625.4-33.3000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 3.44Å; P187-I191 PolarHBondContact O-N 3.03Å
188S86.4Confident89.4Confident37 Ų3780.8 Ų80.826%0.25945%0.447SS..Hα-helixtrans-67.1-34.8174.750.10000112N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 2.96Å; N185-S188 PolarHBondContact O-OG 2.97Å; L186-S188 PolarHBondContact O-N 3.3Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 2.94Å; S188-I191 PolarHBondContact O-N 2.94Å; S188-I192 WeakPolarHBondContact O-CG1 3.36Å; S188-I192 PolarHBondContact O-N 2.99Å; S188-I192 VanDerWaalsContact O-N 3.14Å
189T90.8Very high89.5Confident23 Ų2381.5 Ų81.514%0.14145%0.45CS..Hα-helixtrans-61.5-41175.6-58.30000111.4M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.57Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; S182-T189 VanDerWaalsContact CA-OG1 3.27Å; S182-T189 WeakPolarHBondContact CA-OG1 3.47Å; S182-T189 PolarHBondContact N-OG1 2.8Å; N185-T189 PolarHBondContact O-N 3.28Å; N185-T189 PolarHBondContact O-OG1 3.04Å; L186-T189 WeakPolarHBondContact O-CB 3.25Å; L186-T189 PolarHBondContact O-N 3.46Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.34Å; T189-I192 PolarHBondContact O-N 2.99Å; T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.28Å; T189-F193 PolarHBondContact O-N 2.88Å
190L90.3Very high89.5Confident118 Ų11878 Ų7862%0.61843%0.434SS*.Hα-helixtrans-61.5-39.8178.3-152.6107.8000111.7L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.41Å; P187-L190 PolarHBondContact O-N 3.44Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 2.94Å; L190-F193 PolarHBondContact O-N 3.48Å; L190-T194 WeakPolarHBondContact O-CG2 3.28Å; L190-T194 PolarHBondContact O-N 2.95Å; L190-T194 PolarHBondContact O-OG1 2.95Å
191I91.8Very high89.7Confident108 Ų10880.7 Ų80.755%0.55444%0.441SS*.Hα-helixtrans-65.7-44.4177.9-62.1165.8000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.03Å; S188-I191 PolarHBondContact O-N 2.94Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.34Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 2.88Å; I191-T194 PolarHBondContact O-N 3.37Å; I191-T194 PolarHBondContact O-OG1 3.5Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.22Å; I191-I195 PolarHBondContact O-N 3.19Å
192I91.6Very high89.9Confident42 Ų4282.8 Ų82.822%0.21545%0.452CS..Hα-helixtrans-70.9-33.8179.9-56.1167.6000110.1I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.91Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.34Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.67Å; S188-I192 WeakPolarHBondContact O-CG1 3.36Å; S188-I192 PolarHBondContact O-N 2.99Å; S188-I192 VanDerWaalsContact O-N 3.14Å; T189-I192 PolarHBondContact O-N 2.99Å; I192-I195 WeakPolarHBondContact O-CB 3.17Å; I192-I195 PolarHBondContact O-N 2.97Å; I192-L196 PolarHBondContact O-N 2.95Å
193F90.8Very high89.9Confident106 Ų10680.1 Ų80.147%0.46543%0.433SS..Hα-helixtrans-65.9-38.8175.3-173.3-106000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.28Å; T189-F193 PolarHBondContact O-N 2.88Å; L190-F193 PolarHBondContact O-N 3.48Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 2.88Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.43Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.24Å; F193-L196 PolarHBondContact O-N 3.47Å; F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.49Å; F193-I197 VanDerWaalsContact CE1-CD1 3.49Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.1Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 PolarHBondContact O-N 3.29Å
194T92.3Very high90Very high76 Ų7678.6 Ų78.647%0.46642%0.419SS..Hα-helixtrans-65.5-37.2173.456.70000111.9L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.28Å; L190-T194 PolarHBondContact O-N 2.95Å; L190-T194 PolarHBondContact O-OG1 2.95Å; I191-T194 PolarHBondContact O-N 3.37Å; I191-T194 PolarHBondContact O-OG1 3.5Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 2.87Å; T194-L198 PolarHBondContact O-N 2.83Å
195I92.8Very high90.2Very high84 Ų8475.6 Ų75.643%0.43141%0.411SS..Hα-helixtrans-61.4-43.4172.6-66.5166.6000110.7I191 I192 F193 I197 L198 L199I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.22Å; I191-I195 PolarHBondContact O-N 3.19Å; I192-I195 WeakPolarHBondContact O-CB 3.17Å; I192-I195 PolarHBondContact O-N 2.97Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.43Å; I195-I197 PolarHBondContact O-N 3.47Å; I195-L198 PolarHBondContact O-N 2.76Å; I195-L199 WeakPolarHBondContact O-CB 3.38Å; I195-L199 PolarHBondContact O-N 3.43Å
196L91.6Very high90.2Very high32 Ų3273 Ų7317%0.16840%0.399CS..Hα-helixtrans-59.4-46176.7-178.366000111.5I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.27Å; I174-L196 HydrophobicContact CG2-CB 4.02Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 2.95Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.24Å; F193-L196 PolarHBondContact O-N 3.47Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 3.42Å; L196-L199 WeakPolarHBondContact O-CB 3.41Å; L196-L199 PolarHBondContact O-N 3.49Å; L196-T200 WeakPolarHBondContact O-CG2 3.44Å; L196-T200 PolarHBondContact O-N 3.03Å
197I91.1Very high90.3Very high76 Ų7666.7 Ų66.739%0.3937%0.367SS..Hα-helixtrans-59.8-47176.3-67.8166.1000110.7F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.84Å; F193-I197 HydrophobicContact CE1-CD1 3.49Å; F193-I197 VanDerWaalsContact CE1-CD1 3.49Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.1Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 PolarHBondContact O-N 3.29Å; T194-I197 PolarHBondContact O-N 2.87Å; I195-I197 PolarHBondContact O-N 3.47Å; I197-L199 VanDerWaalsContact C-N 3.25Å; I197-L199 PolarHBondContact O-N 3.43Å; I197-T200 PolarHBondContact O-N 3.46Å; I197-T200 PolarHBondContact O-OG1 3.43Å; I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 2.83Å; I197-I201 VanDerWaalsContact O-N 3.17Å
198L92.9Very high90.3Very high119 Ų11967.6 Ų67.662%0.62337%0.366SS*.Hα-helixtrans-60-39.3179-175.663.2000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 2.83Å; I195-L198 PolarHBondContact O-N 2.76Å; L196-L198 PolarHBondContact O-N 3.42Å; L198-I201 PolarHBondContact O-N 3.26Å; L198-L202 PolarHBondContact O-N 3.11Å; L198-L202 VanDerWaalsContact O-N 3.07Å
199L91.4Very high90.4Very high34 Ų3470.4 Ų70.418%0.17838%0.377CS..Hα-helixtrans-62.9-45.1176.7-162.4105.8000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CD2-CD1 3.18Å; L170-L199 HydrophobicContact CD2-CD2 3.37Å; L170-L199 HydrophobicContact CD2-CG 3.84Å; M171-L199 HydrophobicContact CB-CD2 4.47Å; M171-L199 HydrophobicContact CG-CD2 3.48Å; M171-L199 VanDerWaalsContact CG-CD2 3.48Å; I174-L199 HydrophobicContact CD1-CD1 4.28Å; I195-L199 WeakPolarHBondContact O-CB 3.38Å; I195-L199 PolarHBondContact O-N 3.43Å; L196-L199 WeakPolarHBondContact O-CB 3.41Å; L196-L199 PolarHBondContact O-N 3.49Å; I197-L199 VanDerWaalsContact C-N 3.25Å; I197-L199 PolarHBondContact O-N 3.43Å; L199-I201 VanDerWaalsContact C-N 3.26Å; L199-I201 PolarHBondContact O-N 3.37Å; L199-L202 WeakPolarHBondContact O-CB 3.24Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-L202 VanDerWaalsContact O-N 3.11Å; L199-E203 PolarHBondContact O-N 3.21Å
200T89.4Confident90.3Very high53 Ų5369.9 Ų69.933%0.32537%0.373SS..Hα-helixtrans-61.3-35.9178.161.80000112.3M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 4.07Å; L196-T200 WeakPolarHBondContact O-CG2 3.44Å; L196-T200 PolarHBondContact O-N 3.03Å; I197-T200 PolarHBondContact O-N 3.46Å; I197-T200 PolarHBondContact O-OG1 3.43Å; T200-E203 PolarHBondContact O-N 3.11Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 3.07Å; T200-I204 VanDerWaalsContact O-N 3.11Å
201I91.1Very high90.2Very high102 Ų10264.3 Ų64.352%0.52334%0.344SS..Hα-helixtrans-66.4-43.9175.8-65.7167.8000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 2.83Å; I197-I201 VanDerWaalsContact O-N 3.17Å; L198-I201 PolarHBondContact O-N 3.26Å; L199-I201 VanDerWaalsContact C-N 3.26Å; L199-I201 PolarHBondContact O-N 3.37Å; I201-E203 VanDerWaalsContact C-N 3.27Å; I201-E203 PolarHBondContact O-N 3.13Å; I201-I204 PolarHBondContact O-N 2.9Å; I201-A205 PolarHBondContact O-N 2.91Å
202L89.9Confident90.1Very high107 Ų10764 Ų6456%0.5634%0.336SS*.Hα-helixtrans-59.5-41.8176178.265.2000111L198 L199 A205 V206L198-L202 PolarHBondContact O-N 3.11Å; L198-L202 VanDerWaalsContact O-N 3.07Å; L199-L202 WeakPolarHBondContact O-CB 3.24Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-L202 VanDerWaalsContact O-N 3.11Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 2.76Å; L202-A205 VanDerWaalsContact O-N 3.13Å; L202-V206 HydrophobicContact CD1-CG2 4.26Å; L202-V206 HydrophobicContact CG-CG2 4.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 3.35Å
203E88Confident89.9Confident8 Ų863.9 Ų63.94%0.03734%0.338CS..Hα-helixtrans-69-38.3-176.5-159.1176.5164.200112.7L87 D167 H168 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.5Å; L87-E203 HydrophobicContact CD2-CB 4.31Å; L87-E203 HydrophobicContact CD2-CG 3.51Å; L87-E203 WeakPolarHBondContact CD2-OE1 3.4Å; D167-E203 HydrophobicContact CB-CG 3.77Å; D167-E203 WeakPolarHBondContact CB-OE1 3.45Å; H168-E203 IonicContact CD2-OE1 3.95Å; M171-E203 VanDerWaalsContact CE-CD 3.41Å; M171-E203 WeakPolarHBondContact CE-OE1 3.46Å; M171-E203 WeakPolarHBondContact CE-OE2 3.34Å; M171-E203 WeakPolarHBondContact CG-OE2 3.25Å; L199-E203 PolarHBondContact O-N 3.21Å; T200-E203 PolarHBondContact O-N 3.11Å; I201-E203 VanDerWaalsContact C-N 3.27Å; I201-E203 PolarHBondContact O-N 3.13Å; E203-A205 PolarHBondContact O-N 3.07Å; E203-V206 PolarHBondContact O-N 3.14Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.47Å; E203-A207 PolarHBondContact O-N 3.23Å
204I88.8Confident89.7Confident87 Ų8759 Ų5945%0.44632%0.316SS..Hα-helixtrans-58-41.4171-66.5165000110.5L84 L87 T200 I201 L208L84-I204 HydrophobicContact CD1-CG2 4.4Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 3.07Å; T200-I204 VanDerWaalsContact O-N 3.11Å; I201-I204 PolarHBondContact O-N 2.9Å; I204-L208 PolarHBondContact O-N 3.4Å
205A90.1Very high89.5Confident45 Ų4555.4 Ų55.437%0.37229%0.294SS..Hα-helixtrans-67-46.8177.200000111.9I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.91Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 2.76Å; L202-A205 VanDerWaalsContact O-N 3.13Å; E203-A205 PolarHBondContact O-N 3.07Å; A205-A207 PolarHBondContact O-N 3.38Å; A205-L208 PolarHBondContact O-N 2.91Å; A205-I209 VanDerWaalsContact O-CG1 3.28Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.47Å
206V89.8Confident89.2Confident41 Ų4154.3 Ų54.325%0.24829%0.289CS..Hα-helixtrans-62.1-41.6179.2172.90000111.2L202 E203 L208 I209 Q210L202-V206 HydrophobicContact CD1-CG2 4.26Å; L202-V206 HydrophobicContact CG-CG2 4.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 3.35Å; E203-V206 PolarHBondContact O-N 3.14Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.4Å; V206-I209 PolarHBondContact O-N 3.14Å; V206-Q210 VanDerWaalsContact O-CB 3.23Å; V206-Q210 WeakPolarHBondContact O-CB 3.42Å; V206-Q210 PolarHBondContact O-N 2.95Å
207A87.4Confident88.9Confident9 Ų954.6 Ų54.67%0.07429%0.29CS..Hα-helixtrans-57.6-41.5177.700000112.7N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 4Å; L87-A207 HydrophobicContact CD1-CB 4.15Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.47Å; E203-A207 PolarHBondContact O-N 3.23Å; A205-A207 PolarHBondContact O-N 3.38Å; A207-A211 PolarHBondContact O-N 2.69Å
208L87.7Confident88.6Confident112 Ų11251.3 Ų51.359%0.58627%0.274SS*.Hα-helixtrans-75.5-42.8178.9-169.5145.3000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.4Å; A205-L208 PolarHBondContact O-N 2.91Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.4Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.41Å; L208-A211 PolarHBondContact O-N 3.33Å; L208-Y212 PolarHBondContact O-N 3.36Å; L208-Y212 VanDerWaalsContact O-N 3.15Å
209I89.8Confident88.2Confident96 Ų9646.2 Ų46.249%0.49225%0.248SC..Hα-helixtrans-60.8-40.9176.4-68.7166.2000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.28Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.47Å; V206-I209 PolarHBondContact O-N 3.14Å; I209-A211 PolarHBondContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.38Å; I209-Y212 PolarHBondContact O-N 3.05Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.39Å; I209-V213 PolarHBondContact O-N 3.23Å
210Q87.6Confident87.8Confident13 Ų1348.1 Ų48.16%0.06126%0.258CS..Hα-helixtrans-64.8-40-178.5-175.662.85.200112.1L160 V206 L208 Y212 F214L160-Q210 HydrophobicContact CB-CG 4.28Å; L160-Q210 HydrophobicContact CD1-CG 3.78Å; L160-Q210 HydrophobicContact CG-CG 3.83Å; L160-Q210 VanDerWaalsContact N-NE2 3.15Å; V206-Q210 VanDerWaalsContact O-CB 3.23Å; V206-Q210 WeakPolarHBondContact O-CB 3.42Å; V206-Q210 PolarHBondContact O-N 2.95Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.41Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.47Å; Q210-F214 WeakPolarHBondContact O-CB 3.47Å; Q210-F214 PolarHBondContact O-N 2.8Å
211A88.6Confident87.3Confident1 Ų146.6 Ų46.61%0.00825%0.247CC..Hα-helixtrans-62.4-40.6173.200000111.9I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.44Å; I79-A211 HydrophobicContact CB-CB 4.07Å; I79-A211 HydrophobicContact CG2-CB 3.74Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 2.69Å; L208-A211 PolarHBondContact O-N 3.33Å; I209-A211 PolarHBondContact O-N 3.17Å; A211-T215 WeakPolarHBondContact O-CG2 3.37Å; A211-T215 PolarHBondContact O-N 3.3Å; A211-T215 PolarHBondContact O-OG1 2.91Å
212Y89Confident86.7Confident101 Ų10141.9 Ų41.940%0.39622%0.222SC..Hα-helixtrans-66.1-48.7176.7177.4-100.4000112.4M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; L208-Y212 PolarHBondContact O-N 3.36Å; L208-Y212 VanDerWaalsContact O-N 3.15Å; I209-Y212 WeakPolarHBondContact O-CB 3.38Å; I209-Y212 PolarHBondContact O-N 3.05Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.47Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.46Å; Y212-T215 PolarHBondContact O-N 2.93Å; Y212-T215 PolarHBondContact O-OG1 3.26Å; Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.28Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.43Å
213V88.9Confident86.2Confident40 Ų4041 Ų4124%0.24222%0.215CC..Hα-helixtrans-62.9-38.5179.4172.80000111.1I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.39Å; I209-V213 PolarHBondContact O-N 3.23Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CB 3.49Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.18Å; V213-L217 VanDerWaalsContact O-N 3.08Å
214F85.9Confident85.6Confident3 Ų344 Ų441%0.01323%0.231CC..Hα-helixtrans-57.1-53.2175.9-173.1-80.7000111.5L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.05Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.75Å; L75-F214 HydrophobicContact CG-CD1 4.31Å; L75-F214 HydrophobicContact CG-CE1 4.16Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.36Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.18Å; L108-F214 HydrophobicContact CD1-CE1 4.07Å; L108-F214 HydrophobicContact CD1-CZ 4.47Å; L156-F214 HydrophobicContact CD1-CD2 4.21Å; L156-F214 HydrophobicContact CD2-CD1 4.21Å; L156-F214 HydrophobicContact CD2-CD2 3.27Å; L156-F214 HydrophobicContact CD2-CE1 4.09Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.57Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.19Å; L160-F214 HydrophobicContact CD1-CD2 4.09Å; Q210-F214 WeakPolarHBondContact O-CB 3.47Å; Q210-F214 PolarHBondContact O-N 2.8Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.46Å; F214-L217 PolarHBondContact O-N 3.01Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.34Å
215T87.6Confident84.8Confident0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-71.9-35-176.351.80000112.9M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.37Å; L75-T215 HydrophobicContact CB-CG2 4.17Å; L75-T215 HydrophobicContact CD2-CG2 3.52Å; L75-T215 HydrophobicContact CG-CG2 3.81Å; I76-T215 VanDerWaalsContact CA-CG2 3.5Å; I76-T215 HydrophobicContact CB-CG2 3.49Å; I76-T215 VanDerWaalsContact CB-CG2 3.49Å; I76-T215 HydrophobicContact CG1-CG2 4.14Å; A211-T215 WeakPolarHBondContact O-CG2 3.37Å; A211-T215 PolarHBondContact O-N 3.3Å; A211-T215 PolarHBondContact O-OG1 2.91Å; Y212-T215 PolarHBondContact O-N 2.93Å; Y212-T215 PolarHBondContact O-OG1 3.26Å; T215-V218 PolarHBondContact O-N 3.17Å; T215-S219 WeakPolarHBondContact O-CB 3.19Å; T215-S219 PolarHBondContact O-N 3.19Å
216L86.9Confident83.7Confident62 Ų6240.8 Ų40.833%0.32521%0.21SC..Hα-helixtrans-62.3-45.7174.9-175.6148.8000111.5Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.28Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.43Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.36Å; L216-S219 PolarHBondContact O-N 3.1Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.06Å; L216-L220 PolarHBondContact O-N 2.88Å
217L84.9Confident83.4Confident37 Ų3740.8 Ų40.819%0.19421%0.208CC..Hα-helixtrans-62.3-43.6177.7-77.2166.6000111.5L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.06Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.33Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CB 3.49Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.18Å; V213-L217 VanDerWaalsContact O-N 3.08Å; F214-L217 PolarHBondContact O-N 3.01Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.64Å; L217-L220 PolarHBondContact O-N 3Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L217-Y221 HydrophobicContact CB-CE2 4.19Å; L217-Y221 WeakPolarHBondContact O-CD2 3.46Å; L217-Y221 WeakPolarHBondContact O-CE2 3.49Å; L217-Y221 PolarHBondContact O-N 3.31Å
218V83.9Confident83.2Confident8 Ų842.5 Ų42.55%0.04822%0.216CC..Hα-helixtrans-59.1-41.2173.4178.10000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.82Å; L108-V218 HydrophobicContact CB-CG1 4.47Å; L156-V218 HydrophobicContact CD2-CG2 4.44Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.34Å; T215-V218 PolarHBondContact O-N 3.17Å; V218-Y221 PolarHBondContact O-N 3.39Å; V218-L222 PolarHBondContact O-N 3.02Å; V218-L222 VanDerWaalsContact O-N 3.07Å
219S85.1Confident82.9Confident11 Ų1138.6 Ų38.68%0.07720%0.195CC..Hα-helixtrans-65.9-38.4176.696.60000112.2H61 T215 L216 L217 L222 H223H61-S219 VanDerWaalsContact CE1-CB 3.47Å; H61-S219 WeakPolarHBondContact CE1-CB 3.48Å; H61-S219 PolarHBondContact NE2-O 2.79Å; T215-S219 WeakPolarHBondContact O-CB 3.19Å; T215-S219 PolarHBondContact O-N 3.19Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.36Å; L216-S219 PolarHBondContact O-N 3.1Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.06Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.64Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 3.49Å; S219-L222 VanDerWaalsContact O-N 3.14Å; S219-H223 PolarHBondContact O-N 3.42Å
220L83.1Confident82.5Confident75 Ų7535.2 Ų35.239%0.39318%0.177SC..Hα-helixtrans-65.4-42178-170149.8000110.8L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 2.88Å; L217-L220 PolarHBondContact O-N 3Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.42Å; L220-H223 WeakPolarHBondContact O-CB 3.27Å; L220-H223 PolarHBondContact O-N 3.44Å; L220-H223 VanDerWaalsContact O-N 3.1Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.42Å; L220-D224 PolarHBondContact O-N 3.35Å
221Y78.3Confident82.2Confident21 Ų2136.6 Ų36.68%0.08219%0.185CC..Hα-helixtrans-61.8-37.6172.2-60.8-52.2000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.41Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.41Å; Q152-Y221 PolarHBondContact NE2-OH 3.5Å; Q152-Y221 PolarHBondContact OE1-OH 3.29Å; L217-Y221 HydrophobicContact CB-CE2 4.19Å; L217-Y221 WeakPolarHBondContact O-CD2 3.46Å; L217-Y221 WeakPolarHBondContact O-CE2 3.49Å; L217-Y221 PolarHBondContact O-N 3.31Å; V218-Y221 PolarHBondContact O-N 3.39Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; Y221-N225 VanDerWaalsContact O-CB 3.28Å; Y221-N225 WeakPolarHBondContact O-CB 3.29Å; Y221-N225 PolarHBondContact O-N 3.25Å; Y221-N225 VanDerWaalsContact O-N 3.13Å; Y221-N225 PolarHBondContact O-ND2 3.47Å
222L79.6Confident81.8Confident3 Ų339 Ų392%0.01620%0.196CC..Hα-helixtrans-63.5-43175.4-161.292.6000110.2G65 W68 A112 V218 S219 L220 N225 T226G65-L222 WeakPolarHBondContact O-CD2 3.47Å; W68-L222 HydrophobicContact CB-CD1 4.26Å; W68-L222 HydrophobicContact CB-CD2 3.7Å; W68-L222 HydrophobicContact CD2-CD1 3.48Å; W68-L222 VanDerWaalsContact CD2-CD1 3.48Å; W68-L222 HydrophobicContact CE3-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD2 3.88Å; W68-L222 HydrophobicContact CG-CG 4.44Å; W68-L222 HydrophobicContact CZ3-CD1 4.33Å; A112-L222 HydrophobicContact CB-CD1 4.46Å; V218-L222 PolarHBondContact O-N 3.02Å; V218-L222 VanDerWaalsContact O-N 3.07Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 3.49Å; S219-L222 VanDerWaalsContact O-N 3.14Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.42Å; L222-N225 PolarHBondContact O-N 3.14Å; L222-T226 HydrophobicContact CG-CG2 4.33Å; L222-T226 WeakPolarHBondContact O-CB 3.24Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.42Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.26Å
223H79.6Confident81.3Confident88 Ų8834.6 Ų34.641%0.40718%0.182SC..Hα-helixtrans-59.6-51.9177.1-174.385.3000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.43Å; M60-H223 PolarHBondContact O-ND1 3.21Å; S219-H223 PolarHBondContact O-N 3.42Å; L220-H223 WeakPolarHBondContact O-CB 3.27Å; L220-H223 PolarHBondContact O-N 3.44Å; L220-H223 VanDerWaalsContact O-N 3.1Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; H223-N225 PolarHBondContact O-N 2.8Å; H223-T226 PolarHBondContact O-N 3Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.26Å
224D75.4Confident80.7Confident70 Ų7034.2 Ų34.237%0.37418%0.178SC..Hα-helixtrans-60.6-31.2-179.3-65.4-14.6000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.42Å; L220-D224 PolarHBondContact O-N 3.35Å
225N71.4Confident80.2Confident33 Ų3336.8 Ų36.818%0.17619%0.191CC..Hα-helixtrans-90.9-3.6-179.7-74.1-61.5000114.5G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.27Å; G116-N225 WeakPolarHBondContact CA-O 3.5Å; S119-N225 PolarHBondContact OG-O 2.84Å; Y221-N225 VanDerWaalsContact O-CB 3.28Å; Y221-N225 WeakPolarHBondContact O-CB 3.29Å; Y221-N225 PolarHBondContact O-N 3.25Å; Y221-N225 VanDerWaalsContact O-N 3.13Å; Y221-N225 PolarHBondContact O-ND2 3.47Å; L222-N225 PolarHBondContact O-N 3.14Å; H223-N225 PolarHBondContact O-N 2.8Å
226T67Low79.6Confident33 Ų3340.1 Ų40.120%0.20221%0.209CC..  trans-108.50-178.556.30000114.6M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.41Å; K120-T226 WeakPolarHBondContact CE-O 3.38Å; K120-T226 PolarHBondContact NZ-O 3.48Å; K120-T226 PolarHBondContact NZ-OXT 3.2Å; L222-T226 HydrophobicContact CG-CG2 4.33Å; L222-T226 WeakPolarHBondContact O-CB 3.24Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.42Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.26Å; H223-T226 PolarHBondContact O-N 3Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.26Å

Retrieved 226 of 226 residues in 328.2 ms (Link to these results)

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