A0A096LTC2_POEFO Loading...

Ubiquitin associated protein 1

AlphaFold DB , UniProt , Accession A0A096LTC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M40.1Very low47.4Very low254 Ų254149.1 Ų149.1100%1.25183%0.834SS**  0126.50-63.2-177.5-173.500106.6
2A37.9Very low47.6Very low104 Ų104149 Ų14986%0.8683%0.831SS**  cis-142.8161.911.500000109.6
3A41.6Very low47.9Very low92 Ų92148.5 Ų148.576%0.7683%0.826SS**  trans-64.7138.5-163.700000115.2K5A3-K5 PolarHBondContact O-N 2.99Å
4R52.8Low48.8Very low251 Ų251141.6 Ų141.695%0.94780%0.804SS**  trans-63.9105.7162-61.1175.7167.6-171.3-6.3108S6R4-S6 PolarHBondContact O-N 3.4Å
5K49.4Very low49.7Very low203 Ų203140.9 Ų140.988%0.88381%0.807SS**  trans-87.5101.4165.4-92.9172.7172.5-178.30107.6A3 G7A3-K5 PolarHBondContact O-N 2.99Å; K5-G7 VanDerWaalsContact C-N 3.34Å; K5-G7 PolarHBondContact O-N 2.97Å
6S51.7Low50.3Low125 Ų125140.6 Ų140.687%0.87480%0.801SS**  trans-63.593.7167-165.50000108.1R4R4-S6 PolarHBondContact O-N 3.4Å
7G44Very low51.4Low71 Ų71135.4 Ų135.473%0.73278%0.775SS**  trans-88.9104.9166.500000107.7K5 D9K5-G7 VanDerWaalsContact C-N 3.34Å; K5-G7 PolarHBondContact O-N 2.97Å; G7-D9 PolarHBondContact O-N 3.19Å
8S51.8Low52.3Low108 Ų108140.2 Ų140.276%0.75578%0.78SS**  trans-63.410617451.80000110.5
9D47.1Very low53.7Low141 Ų141138.9 Ų138.975%0.75477%0.771SS**  trans-129.680.3156.9-159.1-1.5000106.8G7G7-D9 PolarHBondContact O-N 3.19Å
10V53.6Low54.8Low102 Ų102137.5 Ų137.562%0.61876%0.762SS**  trans-10122.4-168.5177.50000111.3
11Y51.6Low55.9Low189 Ų189138.2 Ų138.274%0.74177%0.765SS**  trans-135.860.8179.4-63.3-77000113
12N49.8Very low58Low148 Ų148129.6 Ų129.679%0.79173%0.726SS**  trans-106.679.7146.9-101.5-74.9000107.4G14N12-G14 PolarHBondContact O-N 3.08Å
13N51.9Low60.1Low143 Ų143130.8 Ų130.877%0.76573%0.725SS**  trans-93.182.2174.7-71.7-45.4000109.2
14G60.5Low62Low51 Ų51133.7 Ų133.753%0.52672%0.721SS.*SBendtrans-129.9149.6158.400000108.4N12 I16N12-G14 PolarHBondContact O-N 3.08Å; G14-I16 PolarHBondContact O-N 3.04Å
15P62.3Low63.6Low131 Ų131131.4 Ų131.485%0.85172%0.718SS**SBendtrans-69.1106.3-176.5-217.4000108.9
16I58.8Low65.4Low137 Ų137126.7 Ų126.770%0.70370%0.701SS**  trans61.289.5169.9-39164.1000112.2G14 Y18G14-I16 PolarHBondContact O-N 3.04Å; I16-Y18 PolarHBondContact O-N 2.89Å; I16-Y18 VanDerWaalsContact O-N 3.12Å
17S69.2Low67.1Low52 Ų52125.4 Ų125.436%0.36468%0.684SS.*  trans-65117.5165139.50000106.8L19 D20S17-L19 PolarHBondContact O-N 2.97Å; S17-L19 PolarHBondContact OG-N 3.17Å; S17-D20 VanDerWaalsContact CB-CG 3.41Å; S17-D20 WeakPolarHBondContact CB-OD1 3.49Å; S17-D20 WeakPolarHBondContact CB-OD2 3.38Å; S17-D20 PolarHBondContact N-OD2 3.33Å; S17-D20 WeakPolarHBondContact O-CB 3.19Å; S17-D20 PolarHBondContact O-N 3.34Å; S17-D20 PolarHBondContact OG-OD1 2.91Å
18Y67.9Low69.1Low221 Ų221130.1 Ų130.187%0.86769%0.693SS**THydrogen-bonded Turntrans-54.7-7.9178.6-91.7-94.2000113.8I16 V22I16-Y18 PolarHBondContact O-N 2.89Å; I16-Y18 VanDerWaalsContact O-N 3.12Å; Y18-V22 WeakPolarHBondContact O-CG2 3.29Å
19L77.7Confident70.8Confident117 Ų117133.3 Ų133.361%0.61369%0.693SS**THydrogen-bonded Turntrans-107.9-2179.5-57.4-178.3000113.3S17 D21 V22S17-L19 PolarHBondContact O-N 2.97Å; S17-L19 PolarHBondContact OG-N 3.17Å; L19-D21 VanDerWaalsContact C-N 3.28Å; L19-D21 PolarHBondContact O-N 3.48Å; L19-V22 HydrophobicContact CD2-CG2 4.23Å; L19-V22 PolarHBondContact O-N 3.27Å
20D75.9Confident72.8Confident110 Ų110133.1 Ų133.159%0.58869%0.686SS**THydrogen-bonded Turntrans-64.6-33.9-175.6-75.2-9.3000112.4S17S17-D20 VanDerWaalsContact CB-CG 3.41Å; S17-D20 WeakPolarHBondContact CB-OD1 3.49Å; S17-D20 WeakPolarHBondContact CB-OD2 3.38Å; S17-D20 PolarHBondContact N-OD2 3.33Å; S17-D20 WeakPolarHBondContact O-CB 3.19Å; S17-D20 PolarHBondContact O-N 3.34Å; S17-D20 PolarHBondContact OG-OD1 2.91Å
21D79Confident74.4Confident153 Ų153139 Ų13982%0.81870%0.697SS**THydrogen-bonded Turntrans-1078.2179.2-65.4-43.3000113.3L19 P23L19-D21 VanDerWaalsContact C-N 3.28Å; L19-D21 PolarHBondContact O-N 3.48Å; D21-P23 WeakPolarHBondContact O-CD 3.29Å
22V83.6Confident76Confident73 Ų73139.4 Ų139.444%0.44270%0.697SS.*  trans-85.7110.3177.11790000108.6Y18 L19 F24Y18-V22 WeakPolarHBondContact O-CG2 3.29Å; L19-V22 HydrophobicContact CD2-CG2 4.23Å; L19-V22 PolarHBondContact O-N 3.27Å; V22-F24 WeakPolarHBondContact O-CD1 3.38Å; V22-F24 PolarHBondContact O-N 3.21Å
23P82.9Confident77.8Confident128 Ų128137.1 Ų137.183%0.83169%0.69SS**  trans-69.7105.5178.927.9-33.1000109.6D21D21-P23 WeakPolarHBondContact O-CD 3.29Å
24F81.3Confident79.4Confident153 Ų153134.7 Ų134.767%0.67169%0.69SS**  trans-109.8144.4171.866.7-88.5000111V22 I26V22-F24 WeakPolarHBondContact O-CD1 3.38Å; V22-F24 PolarHBondContact O-N 3.21Å; F24-I26 HydrophobicContact CD2-CG1 3.89Å; F24-I26 HydrophobicContact CE2-CD1 3.91Å; F24-I26 HydrophobicContact CE2-CG1 3.61Å
25K86.7Confident80.5Confident204 Ų204141.5 Ų141.589%0.88771%0.705SS**  trans-103.4114.3175.3-171.8174.3-178.4178.70108.7N27K25-N27 PolarHBondContact O-N 2.92Å
26I85.4Confident81.6Confident103 Ų103141.8 Ų141.853%0.52870%0.704SS.*  trans-71.1126.8169.8-57.4174.8000107.5F24 F30F24-I26 HydrophobicContact CD2-CG1 3.89Å; F24-I26 HydrophobicContact CE2-CD1 3.91Å; F24-I26 HydrophobicContact CE2-CG1 3.61Å; I26-F30 HydrophobicContact CG2-CB 3.51Å; I26-F30 HydrophobicContact CG2-CD1 3.79Å; I26-F30 HydrophobicContact CG2-CG 3.76Å
27N87.4Confident82.8Confident99 Ų99138.6 Ų138.653%0.52971%0.705SS.*  trans-70.9144.5177.6-166.6-45.2000110K25 K29 F30K25-N27 PolarHBondContact O-N 2.92Å; N27-K29 PolarHBondContact O-N 3.14Å; N27-K29 WeakPolarHBondContact OD1-CG 3.33Å; N27-K29 PolarHBondContact OD1-N 3.02Å; N27-F30 WeakPolarHBondContact O-CB 3.41Å; N27-F30 PolarHBondContact O-N 3.22Å
28D87.3Confident83.6Confident169 Ų169141.5 Ų141.590%0.90472%0.716SS**THydrogen-bonded Turntrans-60.1-17.5173.9-70.8-22.7000113.3F30D28-F30 PolarHBondContact O-N 2.95Å
29K87.9Confident84.5Confident176 Ų176135.6 Ų135.677%0.76571%0.705SS**THydrogen-bonded Turntrans-73.9-13.4171.5-61.4180-166.5-71.60113.2N27 R31N27-K29 PolarHBondContact O-N 3.14Å; N27-K29 WeakPolarHBondContact OD1-CG 3.33Å; N27-K29 PolarHBondContact OD1-N 3.02Å; K29-R31 PolarHBondContact O-N 2.98Å
30F88.7Confident84.8Confident136 Ų136137.7 Ų137.760%0.59672%0.722SS**  trans-70101.2178.6-176.1-99.8000110.1I26 N27 D28I26-F30 HydrophobicContact CG2-CB 3.51Å; I26-F30 HydrophobicContact CG2-CD1 3.79Å; I26-F30 HydrophobicContact CG2-CG 3.76Å; N27-F30 WeakPolarHBondContact O-CB 3.41Å; N27-F30 PolarHBondContact O-N 3.22Å; D28-F30 PolarHBondContact O-N 2.95Å
31R86.9Confident85.2Confident226 Ų226135.8 Ų135.885%0.85373%0.728SS**PPolyproline II helixtrans-87.6120.3166.4-72.2-86.9-175.3174.4-1107.2K29 P33K29-R31 PolarHBondContact O-N 2.98Å; R31-P33 WeakPolarHBondContact O-CD 3.49Å; R31-P33 VanDerWaalsContact O-N 3.16Å
32R85.5Confident85.4Confident198 Ų198133.7 Ų133.775%0.74771%0.712SS**PPolyproline II helixtrans-52.5124.8167.2-176.8-176.1-71.8109.6-1.4107.4A34R32-A34 PolarHBondContact O-N 3.21Å
33P86.6Confident85.3Confident100 Ų100137.6 Ų137.665%0.64973%0.729SS**PPolyproline II helixtrans-50.5143.5174.7-28.135.5000110.4R31 K35R31-P33 WeakPolarHBondContact O-CD 3.49Å; R31-P33 VanDerWaalsContact O-N 3.16Å; P33-K35 PolarHBondContact O-N 3.07Å
34A85.4Confident85.2Confident91 Ų91137.6 Ų137.675%0.75272%0.72SS**PPolyproline II helixtrans-56133175.200000108.5R32 V36R32-A34 PolarHBondContact O-N 3.21Å; A34-V36 PolarHBondContact O-N 3.45Å
35K84.3Confident85.3Confident195 Ų195133.9 Ų133.985%0.84871%0.711SS**  trans-63.5106.4170.7-68.4-174.4178.7-171.80106.4P33 G37P33-K35 PolarHBondContact O-N 3.07Å; K35-G37 PolarHBondContact O-N 3.02Å
36V85.4Confident85.3Confident137 Ų137129.6 Ų129.683%0.8370%0.698SS**PPolyproline II helixtrans-65119.9170.2-68.40000106.6A34A34-V36 PolarHBondContact O-N 3.45Å
37G83.6Confident85.2Confident70 Ų70131.6 Ų131.672%0.72270%0.7SS**PPolyproline II helixtrans-65.7150.3172.900000109.2K35K35-G37 PolarHBondContact O-N 3.02Å
38L85.6Confident85.2Confident112 Ų112129.1 Ų129.159%0.58670%0.697SS**PPolyproline II helixtrans-64.7151.3168.6-62.2160.2000108.6F42L38-F42 HydrophobicContact CB-CB 3.86Å; L38-F42 HydrophobicContact CB-CD1 3.82Å; L38-F42 HydrophobicContact CB-CG 4.01Å; L38-F42 HydrophobicContact CD1-CD1 3.43Å; L38-F42 VanDerWaalsContact CD1-CD1 3.43Å; L38-F42 HydrophobicContact CD1-CE1 3.68Å; L38-F42 HydrophobicContact CD1-CG 4.43Å; L38-F42 HydrophobicContact CD2-CD1 3.99Å; L38-F42 HydrophobicContact CD2-CE1 4.04Å; L38-F42 HydrophobicContact CD2-CG 4.44Å; L38-F42 HydrophobicContact CG-CD1 3.91Å; L38-F42 HydrophobicContact CG-CE1 4.32Å
39P88.2Confident85Confident98 Ų98123.1 Ų123.164%0.63667%0.671SS**PPolyproline II helixtrans-51.1147.4176.3-26.834.9000112G41 F42P39-G41 PolarHBondContact O-N 3.17Å; P39-G41 VanDerWaalsContact O-N 3.14Å; P39-F42 WeakPolarHBondContact O-CB 3.19Å; P39-F42 PolarHBondContact O-N 3.01Å
40V83.2Confident84.8Confident160 Ų160118.7 Ų118.797%0.9766%0.659SS**THydrogen-bonded Turntrans-56.8122.2176.6178.70000108.9
41G84.7Confident84.6Confident70 Ų70118.5 Ų118.572%0.72266%0.663SS**THydrogen-bonded Turntrans97-3.7-177.200000115.2P39 L43P39-G41 PolarHBondContact O-N 3.17Å; P39-G41 VanDerWaalsContact O-N 3.14Å; G41-L43 PolarHBondContact O-N 3.18Å
42F83.3Confident84.5Confident110 Ų110111.6 Ų111.648%0.48266%0.655SS.*  trans-73.1110.6170.2-172.1-86.1000110.1L38 P39 M44L38-F42 HydrophobicContact CB-CB 3.86Å; L38-F42 HydrophobicContact CB-CD1 3.82Å; L38-F42 HydrophobicContact CB-CG 4.01Å; L38-F42 HydrophobicContact CD1-CD1 3.43Å; L38-F42 VanDerWaalsContact CD1-CD1 3.43Å; L38-F42 HydrophobicContact CD1-CE1 3.68Å; L38-F42 HydrophobicContact CD1-CG 4.43Å; L38-F42 HydrophobicContact CD2-CD1 3.99Å; L38-F42 HydrophobicContact CD2-CE1 4.04Å; L38-F42 HydrophobicContact CD2-CG 4.44Å; L38-F42 HydrophobicContact CG-CD1 3.91Å; L38-F42 HydrophobicContact CG-CE1 4.32Å; P39-F42 WeakPolarHBondContact O-CB 3.19Å; P39-F42 PolarHBondContact O-N 3.01Å; F42-M44 HydrophobicContact CE1-CB 4.22Å
43L82Confident84.4Confident154 Ų154108.6 Ų108.681%0.80665%0.654SS**PPolyproline II helixtrans-102.1117.8171.3-63.6175.4000107.8G41 P45G41-L43 PolarHBondContact O-N 3.18Å; L43-P45 WeakPolarHBondContact O-CD 3.19Å
44M80.4Confident84.4Confident129 Ų129107.7 Ų107.764%0.63565%0.646SS**PPolyproline II helixtrans-70.9124.1171.4-167.6162.972.900108.1F42 Y47F42-M44 HydrophobicContact CE1-CB 4.22Å; M44-Y47 HydrophobicContact CG-CD2 4.32Å; M44-Y47 HydrophobicContact CG-CE2 3.56Å; M44-Y47 HydrophobicContact SD-CE2 4.03Å
45P83.1Confident84.5Confident74 Ų74112.6 Ų112.648%0.48165%0.651SS.*PPolyproline II helixtrans-56.6143.4173.4-23.434000110.4L43 Y47L43-P45 WeakPolarHBondContact O-CD 3.19Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; P45-Y47 VanDerWaalsContact O-CD2 3.29Å; P45-Y47 WeakPolarHBondContact O-CD2 3.33Å; P45-Y47 PolarHBondContact O-N 3.37Å
46D86.6Confident84.8Confident115 Ų115109.6 Ų109.662%0.61564%0.635SS**  trans-72.192173.5-176.66.9000109.5G48 A49 V50D46-G48 PolarHBondContact O-N 3.25Å; D46-G48 WeakPolarHBondContact OD1-CA 3.49Å; D46-G48 PolarHBondContact OD1-N 2.86Å; D46-A49 HydrophobicContact CB-CB 4.31Å; D46-A49 PolarHBondContact O-N 3.42Å; D46-V50 PolarHBondContact O-N 3.04Å
47Y83.4Confident85.1Confident145 Ų145107.2 Ų107.257%0.56962%0.617SS**Hα-helixtrans-60.7-22.7176.9-61-73.7000112.5M44 P45 L51M44-Y47 HydrophobicContact CG-CD2 4.32Å; M44-Y47 HydrophobicContact CG-CE2 3.56Å; M44-Y47 HydrophobicContact SD-CE2 4.03Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; P45-Y47 VanDerWaalsContact O-CD2 3.29Å; P45-Y47 WeakPolarHBondContact O-CD2 3.33Å; P45-Y47 PolarHBondContact O-N 3.37Å; Y47-L51 WeakPolarHBondContact O-CB 3.35Å; Y47-L51 PolarHBondContact O-N 3.26Å
48G86.1Confident85.7Confident46 Ų46109.6 Ų109.647%0.47461%0.608SS.*Hα-helixtrans-66.7-41.9176.600000112.1D46 A52D46-G48 PolarHBondContact O-N 3.25Å; D46-G48 WeakPolarHBondContact OD1-CA 3.49Å; D46-G48 PolarHBondContact OD1-N 2.86Å; G48-A52 VanDerWaalsContact O-CB 3.29Å; G48-A52 WeakPolarHBondContact O-CB 3.1Å; G48-A52 PolarHBondContact O-N 2.6Å
49A83.7Confident86.3Confident43 Ų43107 Ų10736%0.35560%0.597SS.*Hα-helixtrans-67.2-46.4174.600000111.5D46 L51 A52 D53D46-A49 HydrophobicContact CB-CB 4.31Å; D46-A49 PolarHBondContact O-N 3.42Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 3.29Å; A49-A52 PolarHBondContact O-N 2.54Å; A49-D53 PolarHBondContact O-N 2.93Å
50V83.6Confident86.6Confident84 Ų84105.8 Ų105.851%0.50959%0.585SS.*Hα-helixtrans-58.2-43.9177.3177.90000111D46 D53 T54D46-V50 PolarHBondContact O-N 3.04Å; V50-D53 PolarHBondContact O-N 3.21Å; V50-T54 WeakPolarHBondContact O-CG2 3.28Å; V50-T54 PolarHBondContact O-N 3.48Å; V50-T54 PolarHBondContact O-OG1 3.3Å
51L85.3Confident87.3Confident131 Ų131101.5 Ų101.569%0.68655%0.554SS**Hα-helixtrans-73.2-30.2-179.1-160.869.9000112.7Y47 A49 D53 T54Y47-L51 WeakPolarHBondContact O-CB 3.35Å; Y47-L51 PolarHBondContact O-N 3.26Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 3.29Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-T54 WeakPolarHBondContact CA-OG1 3.09Å; L51-T54 PolarHBondContact O-OG1 3.49Å
52A85Confident87.9Confident82 Ų82104.4 Ų104.468%0.67854%0.543SS*.Hα-helixtrans-69.3-32.917300000112.2G48 A49G48-A52 VanDerWaalsContact O-CB 3.29Å; G48-A52 WeakPolarHBondContact O-CB 3.1Å; G48-A52 PolarHBondContact O-N 2.6Å; A49-A52 PolarHBondContact O-N 2.54Å
53D83.2Confident88.6Confident135 Ų135107.2 Ų107.272%0.72255%0.551SS**Hα-helixtrans-80.8-25.3178.4-68.5-20.8000112.4A49 V50 L51 K55A49-D53 PolarHBondContact O-N 2.93Å; V50-D53 PolarHBondContact O-N 3.21Å; L51-D53 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.14Å; D53-K55 VanDerWaalsContact O-N 3.08Å
54T85.5Confident89.4Confident80 Ų80102.9 Ų102.949%0.49153%0.533SS..  trans-72102.5173.453.40000111.6V50 L51V50-T54 WeakPolarHBondContact O-CG2 3.28Å; V50-T54 PolarHBondContact O-N 3.48Å; V50-T54 PolarHBondContact O-OG1 3.3Å; L51-T54 WeakPolarHBondContact CA-OG1 3.09Å; L51-T54 PolarHBondContact O-OG1 3.49Å
55K87.6Confident90.3Very high195 Ų195101.2 Ų101.285%0.84853%0.53SS*.  trans-95.698.6170.1-173.4-177.2177.8-175.60110.3D53 D57D53-K55 PolarHBondContact O-N 3.14Å; D53-K55 VanDerWaalsContact O-N 3.08Å; K55-D57 PolarHBondContact O-N 3.42Å
56Y91.5Very high91Very high132 Ų132104.3 Ų104.352%0.51853%0.532SS..  trans-69.9124.8173.6-171.2-107.1000111.3F58 E61Y56-F58 AromaticContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD2 4.29Å; Y56-F58 AromaticContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE2 4.2Å; Y56-F58 HydrophobicContact CD1-CG 4.18Å; Y56-F58 HydrophobicContact CD1-CZ 4.01Å; Y56-F58 AromaticContact CE1-CD1 3.66Å; Y56-F58 HydrophobicContact CE1-CD1 3.66Å; Y56-F58 AromaticContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CG 4.11Å; Y56-F58 HydrophobicContact CE1-CZ 4.42Å; Y56-E61 WeakPolarHBondContact CE1-OE1 3.13Å; Y56-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y56-E61 VanDerWaalsContact OH-CD 3.31Å; Y56-E61 PolarHBondContact OH-OE1 3.16Å; Y56-E61 PolarHBondContact OH-OE2 2.74Å
57D91.7Very high91.6Very high86 Ų86105.9 Ų105.946%0.4653%0.53SS..  trans-102.6120.5173.482.4-42.9000110.4K55 T59K55-D57 PolarHBondContact O-N 3.42Å; D57-T59 PolarHBondContact O-N 3.07Å; D57-T59 VanDerWaalsContact OD2-CB 3.28Å; D57-T59 WeakPolarHBondContact OD2-CB 3.34Å; D57-T59 PolarHBondContact OD2-OG1 2.71Å
58F96.2Very high92.3Very high121 Ų121100.7 Ų100.753%0.53152%0.52SS..THydrogen-bonded Turntrans-71.332.3-177.1-64-91000114.1Y56 E61 R62Y56-F58 AromaticContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD2 4.29Å; Y56-F58 AromaticContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE2 4.2Å; Y56-F58 HydrophobicContact CD1-CG 4.18Å; Y56-F58 HydrophobicContact CD1-CZ 4.01Å; Y56-F58 AromaticContact CE1-CD1 3.66Å; Y56-F58 HydrophobicContact CE1-CD1 3.66Å; Y56-F58 AromaticContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CG 4.11Å; Y56-F58 HydrophobicContact CE1-CZ 4.42Å; F58-E61 WeakPolarHBondContact CA-OE2 3.29Å; F58-E61 HydrophobicContact CD1-CG 4.39Å; F58-R62 WeakPolarHBondContact O-CG 3.46Å; F58-R62 VanDerWaalsContact O-CZ 3.26Å; F58-R62 PolarHBondContact O-N 2.97Å; F58-R62 VanDerWaalsContact O-N 3.14Å; F58-R62 PolarHBondContact O-NE 3.22Å; F58-R62 PolarHBondContact O-NH1 2.91Å
59T97.2Very high92.8Very high57 Ų57103 Ų10335%0.3552%0.521SS..Hα-helixtrans-69.7-36.5-174.3-65.70000111.2D57 R62 R63D57-T59 PolarHBondContact O-N 3.07Å; D57-T59 VanDerWaalsContact OD2-CB 3.28Å; D57-T59 WeakPolarHBondContact OD2-CB 3.34Å; D57-T59 PolarHBondContact OD2-OG1 2.71Å; T59-R62 PolarHBondContact OG1-NH2 3.49Å; T59-R63 WeakPolarHBondContact O-CB 2.86Å; T59-R63 PolarHBondContact O-N 3.43Å
60L96Very high93.5Very high72 Ų72106.8 Ų106.838%0.37753%0.531SS..Hα-helixtrans-64.8-48.1176.5-17862.2000110.9R62 R63 S64L60-R62 PolarHBondContact O-N 3.05Å; L60-R63 WeakPolarHBondContact O-CA 3.24Å; L60-R63 WeakPolarHBondContact O-CB 3.4Å; L60-R63 PolarHBondContact O-N 3.38Å; L60-S64 PolarHBondContact O-N 3.41Å; L60-S64 PolarHBondContact O-OG 3.23Å; L60-S64 VanDerWaalsContact O-OG 3.11Å
61E97.5Very high94.2Very high70 Ų70105.8 Ų105.833%0.32752%0.523SS..Hα-helixtrans-60.8-45.8179.3-65.982.617000111Y56 F58 R63 S64 V65Y56-E61 WeakPolarHBondContact CE1-OE1 3.13Å; Y56-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y56-E61 VanDerWaalsContact OH-CD 3.31Å; Y56-E61 PolarHBondContact OH-OE1 3.16Å; Y56-E61 PolarHBondContact OH-OE2 2.74Å; F58-E61 WeakPolarHBondContact CA-OE2 3.29Å; F58-E61 HydrophobicContact CD1-CG 4.39Å; E61-R63 PolarHBondContact O-N 2.64Å; E61-S64 PolarHBondContact O-N 3.28Å; E61-V65 VanDerWaalsContact O-CG2 3.3Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 2.92Å
62R97.9Very high94.8Very high131 Ų131102.2 Ų102.249%0.49451%0.512SS..Hα-helixtrans-60.8-31.7175.3-74-173.5-63.9-91.91.5112.3F58 T59 L60 R66F58-R62 WeakPolarHBondContact O-CG 3.46Å; F58-R62 VanDerWaalsContact O-CZ 3.26Å; F58-R62 PolarHBondContact O-N 2.97Å; F58-R62 VanDerWaalsContact O-N 3.14Å; F58-R62 PolarHBondContact O-NE 3.22Å; F58-R62 PolarHBondContact O-NH1 2.91Å; T59-R62 PolarHBondContact OG1-NH2 3.49Å; L60-R62 PolarHBondContact O-N 3.05Å; R62-R66 WeakPolarHBondContact O-CG 3.38Å; R62-R66 PolarHBondContact O-N 3.11Å; R62-R66 PolarHBondContact O-NE 2.94Å
63R98.1Very high95.5Very high170 Ų170103 Ų10364%0.64251%0.505SS*.Hα-helixtrans-74.6-45.6176-163.5179.7-141.9142.82.6111.1T59 L60 E61 V65 R66 W67T59-R63 WeakPolarHBondContact O-CB 2.86Å; T59-R63 PolarHBondContact O-N 3.43Å; L60-R63 WeakPolarHBondContact O-CA 3.24Å; L60-R63 WeakPolarHBondContact O-CB 3.4Å; L60-R63 PolarHBondContact O-N 3.38Å; E61-R63 PolarHBondContact O-N 2.64Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 PolarHBondContact O-N 3.42Å; R63-R66 PolarHBondContact O-N 2.86Å; R63-W67 PolarHBondContact O-N 3.01Å
64S98.2Very high96.1Very high63 Ų6399.3 Ų99.344%0.44149%0.493SS..Hα-helixtrans-61.5-40178.7-580000112.2L60 E61 W67 G68L60-S64 PolarHBondContact O-N 3.41Å; L60-S64 PolarHBondContact O-OG 3.23Å; L60-S64 VanDerWaalsContact O-OG 3.11Å; E61-S64 PolarHBondContact O-N 3.28Å; S64-W67 PolarHBondContact O-N 3.01Å; S64-G68 PolarHBondContact O-N 2.71Å
65V98.4Very high96.7Very high93 Ų93103.8 Ų103.856%0.56450%0.501SS*.Hα-helixtrans-63-46.2175.31710000111.3E61 R63 W67 G68 I69E61-V65 VanDerWaalsContact O-CG2 3.3Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 2.92Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 PolarHBondContact O-N 3.42Å; V65-W67 PolarHBondContact O-N 3.26Å; V65-G68 PolarHBondContact O-N 3.28Å; V65-I69 HydrophobicContact CG1-CD1 4.12Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 2.85Å
66R98.2Very high97.2Very high139 Ų13996.5 Ų96.553%0.52548%0.477SS..Hα-helixtrans-61.9-44.9177.8-75.5-176-67.31620.1112R62 R63 G68 I69 E70R62-R66 WeakPolarHBondContact O-CG 3.38Å; R62-R66 PolarHBondContact O-N 3.11Å; R62-R66 PolarHBondContact O-NE 2.94Å; R63-R66 PolarHBondContact O-N 2.86Å; R66-G68 VanDerWaalsContact C-N 3.28Å; R66-G68 PolarHBondContact O-N 3.18Å; R66-I69 WeakPolarHBondContact O-CB 3.46Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-I69 VanDerWaalsContact O-N 3.13Å; R66-E70 WeakPolarHBondContact O-CG 3.36Å; R66-E70 PolarHBondContact O-N 2.93Å
67W98.3Very high97.5Very high149 Ų14992.6 Ų92.656%0.56447%0.472SS*.Hα-helixtrans-59.2-40.5175.7177.661.3000112.1R63 S64 V65 I69 E70 L71R63-W67 PolarHBondContact O-N 3.01Å; S64-W67 PolarHBondContact O-N 3.01Å; V65-W67 PolarHBondContact O-N 3.26Å; W67-I69 PolarHBondContact O-N 3.41Å; W67-E70 PolarHBondContact O-N 3.26Å; W67-L71 HydrophobicContact CZ2-CD2 4.48Å; W67-L71 WeakPolarHBondContact O-CB 3.37Å; W67-L71 PolarHBondContact O-N 2.78Å
68G98.3Very high97.7Very high36 Ų3691.3 Ų91.337%0.37147%0.473SS..Hα-helixtrans-61.6-39.9174.300000113.5S64 V65 R66 A72S64-G68 PolarHBondContact O-N 2.71Å; V65-G68 PolarHBondContact O-N 3.28Å; R66-G68 VanDerWaalsContact C-N 3.28Å; R66-G68 PolarHBondContact O-N 3.18Å; G68-A72 PolarHBondContact O-N 2.86Å; G68-A72 VanDerWaalsContact O-N 3.08Å
69I98.4Very high97.7Very high94 Ų9488.2 Ų88.248%0.48247%0.47SS..Hα-helixtrans-64.9-50175.3-65.2164.3000110.3V65 R66 W67 L71 A72 D73V65-I69 HydrophobicContact CG1-CD1 4.12Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 2.85Å; R66-I69 WeakPolarHBondContact O-CB 3.46Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-I69 VanDerWaalsContact O-N 3.13Å; W67-I69 PolarHBondContact O-N 3.41Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.08Å; I69-A72 WeakPolarHBondContact O-CB 3.45Å; I69-A72 PolarHBondContact O-N 3.12Å; I69-A72 VanDerWaalsContact O-N 3.11Å; I69-D73 PolarHBondContact O-N 2.92Å
70E98.2Very high97.7Very high122 Ų12293.5 Ų93.557%0.5748%0.483SS*.Hα-helixtrans-58.2-39.7178.9-71.3169-166.100111.9R66 W67 D73 A74R66-E70 WeakPolarHBondContact O-CG 3.36Å; R66-E70 PolarHBondContact O-N 2.93Å; W67-E70 PolarHBondContact O-N 3.26Å; E70-D73 PolarHBondContact O-N 3.11Å; E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 2.9Å
71L97.9Very high97.6Very high64 Ų6493 Ų9334%0.33549%0.489SS..Hα-helixtrans-67.5-39.3177.3-174.862.5000112.3W67 I69 R75W67-L71 HydrophobicContact CZ2-CD2 4.48Å; W67-L71 WeakPolarHBondContact O-CB 3.37Å; W67-L71 PolarHBondContact O-N 2.78Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.08Å; L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.39Å; L71-R75 VanDerWaalsContact O-N 3.08Å
72A98.1Very high97.4Very high56 Ų5696.6 Ų96.646%0.46351%0.506SS..Hα-helixtrans-65.4-43.8175.200000111.1G68 I69 R75 A76G68-A72 PolarHBondContact O-N 2.86Å; G68-A72 VanDerWaalsContact O-N 3.08Å; I69-A72 WeakPolarHBondContact O-CB 3.45Å; I69-A72 PolarHBondContact O-N 3.12Å; I69-A72 VanDerWaalsContact O-N 3.11Å; A72-R75 PolarHBondContact O-N 3.47Å; A72-A76 WeakPolarHBondContact O-CB 3.13Å; A72-A76 PolarHBondContact O-N 3.37Å
73D98.4Very high97.2Very high99 Ų9995.4 Ų95.453%0.52951%0.506SS..Hα-helixtrans-62.1-44176.7-73.6-18.8000111.5I69 E70 R75 A76 A77I69-D73 PolarHBondContact O-N 2.92Å; E70-D73 PolarHBondContact O-N 3.11Å; D73-R75 PolarHBondContact O-N 3.14Å; D73-A76 PolarHBondContact O-N 3.13Å; D73-A77 WeakPolarHBondContact O-CB 3.28Å; D73-A77 PolarHBondContact O-N 3.23Å
74A97.3Very high97Very high57 Ų5789.6 Ų89.647%0.47150%0.495SS..Hα-helixtrans-61.2-42.517700000112.1E70 A77 A78E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 2.9Å; A74-A77 PolarHBondContact O-N 3.41Å; A74-A78 WeakPolarHBondContact O-CB 3.41Å; A74-A78 PolarHBondContact O-N 2.98Å
75R98.3Very high96.8Very high173 Ų17389.2 Ų89.265%0.65350%0.495SS*.Hα-helixtrans-65.7-41.9175.7-73.3177.7-175.1177.62.9112.2L71 A72 D73 A77 A78 A79L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.39Å; L71-R75 VanDerWaalsContact O-N 3.08Å; A72-R75 PolarHBondContact O-N 3.47Å; D73-R75 PolarHBondContact O-N 3.14Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.24Å; R75-A78 PolarHBondContact O-N 3.47Å; R75-A79 PolarHBondContact O-N 3.36Å
76A97.8Very high96.5Very high43 Ų4387.3 Ų87.336%0.35549%0.49SS..Hα-helixtrans-65.9-32.6176.600000112.2A72 D73 R80A72-A76 WeakPolarHBondContact O-CB 3.13Å; A72-A76 PolarHBondContact O-N 3.37Å; D73-A76 PolarHBondContact O-N 3.13Å; A76-R80 WeakPolarHBondContact O-CB 3.39Å; A76-R80 WeakPolarHBondContact O-CG 3.32Å; A76-R80 PolarHBondContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 2.88Å; A76-R80 VanDerWaalsContact O-NE 3.16Å
77A96.9Very high96.2Very high49 Ų4986 Ų8641%0.40549%0.488SS..Hα-helixtrans-70.4-43.1172.900000111.6D73 A74 R75 R80 A81D73-A77 WeakPolarHBondContact O-CB 3.28Å; D73-A77 PolarHBondContact O-N 3.23Å; A74-A77 PolarHBondContact O-N 3.41Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.24Å; A77-R80 PolarHBondContact O-N 3.41Å; A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.35Å
78A96.2Very high95.6Very high59 Ų5985.4 Ų85.449%0.48849%0.491SS..Hα-helixtrans-61-47.7176.600000112A74 R75 R80 A81 E82A74-A78 WeakPolarHBondContact O-CB 3.41Å; A74-A78 PolarHBondContact O-N 2.98Å; R75-A78 PolarHBondContact O-N 3.47Å; A78-R80 VanDerWaalsContact C-N 3.3Å; A78-R80 PolarHBondContact O-N 3.29Å; A78-A81 WeakPolarHBondContact O-CB 3.27Å; A78-A81 PolarHBondContact O-N 3.44Å; A78-A81 VanDerWaalsContact O-N 3.11Å; A78-E82 PolarHBondContact O-N 3.11Å
79A96.8Very high95Very high56 Ų5690.6 Ų90.646%0.46351%0.506SS..Hα-helixtrans-60.4-39.217700000112.4R75 E82 E83R75-A79 PolarHBondContact O-N 3.36Å; A79-E82 PolarHBondContact O-N 2.86Å; A79-E83 PolarHBondContact O-N 3.26Å
80R96.5Very high94.4Very high168 Ų16888.9 Ų88.963%0.63451%0.506SS*.Hα-helixtrans-67.3-36.7174.9-79-174.2-84.9156-12.5112.7A76 A77 A78 A84A76-R80 WeakPolarHBondContact O-CB 3.39Å; A76-R80 WeakPolarHBondContact O-CG 3.32Å; A76-R80 PolarHBondContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 2.88Å; A76-R80 VanDerWaalsContact O-NE 3.16Å; A77-R80 PolarHBondContact O-N 3.41Å; A78-R80 VanDerWaalsContact C-N 3.3Å; A78-R80 PolarHBondContact O-N 3.29Å; R80-A84 VanDerWaalsContact O-CB 3.32Å; R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 2.94Å
81A94.8Very high93.7Very high61 Ų6189.4 Ų89.450%0.50451%0.509SS..Hα-helixtrans-67.8-40.7176.200000111.4A77 A78 A84 A85A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.35Å; A78-A81 WeakPolarHBondContact O-CB 3.27Å; A78-A81 PolarHBondContact O-N 3.44Å; A78-A81 VanDerWaalsContact O-N 3.11Å; A81-A84 PolarHBondContact O-N 3.42Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.28Å
82E93.2Very high92.8Very high146 Ų14689.4 Ų89.468%0.68251%0.514SS*.Hα-helixtrans-63.3-46.6175-172.3-179171.700111.7A78 A79 A84 A85 A86A78-E82 PolarHBondContact O-N 3.11Å; A79-E82 PolarHBondContact O-N 2.86Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.49Å; E82-A85 PolarHBondContact O-N 3.15Å; E82-A86 WeakPolarHBondContact O-CB 3.28Å; E82-A86 PolarHBondContact O-N 2.75Å
83E93.7Very high91.8Very high106 Ų10693.1 Ų93.150%0.49552%0.523SS..Hα-helixtrans-61.9-40.4175.8-170.9-167.5157.300111.9A79 A86 K87A79-E83 PolarHBondContact O-N 3.26Å; E83-A86 PolarHBondContact O-N 2.87Å; E83-K87 WeakPolarHBondContact O-CG 3.32Å; E83-K87 PolarHBondContact O-N 3.37Å; E83-K87 WeakPolarHBondContact OE1-CE 3.31Å; E83-K87 IonicContact OE1-NZ 2.63Å; E83-K87 PolarHBondContact OE1-NZ 3.01Å
84A94.1Very high90.6Very high48 Ų4894.1 Ų94.140%0.39753%0.525SS..Hα-helixtrans-66.7-39.3176.900000112.1R80 A81 E82 K87 Q88R80-A84 VanDerWaalsContact O-CB 3.32Å; R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 2.94Å; A81-A84 PolarHBondContact O-N 3.42Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.49Å; A84-K87 PolarHBondContact O-N 2.97Å; A84-Q88 WeakPolarHBondContact O-CG 3.32Å; A84-Q88 PolarHBondContact O-N 3.06Å; A84-Q88 VanDerWaalsContact O-N 3.1Å
85A92.2Very high89.1Confident55 Ų5594.7 Ų94.746%0.45553%0.525SS..Hα-helixtrans-64.6-45.3174.900000111.3A81 E82 K87 Q88 E89A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.28Å; E82-A85 PolarHBondContact O-N 3.15Å; A85-K87 VanDerWaalsContact C-N 3.33Å; A85-K87 PolarHBondContact O-N 2.7Å; A85-Q88 PolarHBondContact O-N 2.83Å; A85-E89 PolarHBondContact O-N 2.91Å
86A92.4Very high87.3Confident54 Ų5492.3 Ų92.345%0.44652%0.524SS..Hα-helixtrans-61.6-38.7177.400000112.6E82 E83 E89 A90E82-A86 WeakPolarHBondContact O-CB 3.28Å; E82-A86 PolarHBondContact O-N 2.75Å; E83-A86 PolarHBondContact O-N 2.87Å; A86-E89 PolarHBondContact O-N 3.36Å; A86-A90 WeakPolarHBondContact O-CB 3.41Å; A86-A90 PolarHBondContact O-N 3.11Å
87K92.3Very high85.4Confident111 Ų11194.3 Ų94.348%0.48354%0.536SS..Hα-helixtrans-65.3-44.1174.4-74.5176.1-174.4171.30112.3E83 A84 A85 E89 A90 E91E83-K87 WeakPolarHBondContact O-CG 3.32Å; E83-K87 PolarHBondContact O-N 3.37Å; E83-K87 WeakPolarHBondContact OE1-CE 3.31Å; E83-K87 IonicContact OE1-NZ 2.63Å; E83-K87 PolarHBondContact OE1-NZ 3.01Å; A84-K87 PolarHBondContact O-N 2.97Å; A85-K87 VanDerWaalsContact C-N 3.33Å; A85-K87 PolarHBondContact O-N 2.7Å; K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.87Å; K87-A90 PolarHBondContact O-N 2.81Å; K87-E91 WeakPolarHBondContact O-CB 3.46Å; K87-E91 VanDerWaalsContact O-CG 3.32Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.44Å
88Q86.9Confident83.4Confident137 Ų137101.5 Ų101.564%0.6455%0.553SS**Hα-helixtrans-63.8-37.7176.8-74-1761500112.1A84 A85 S92A84-Q88 WeakPolarHBondContact O-CG 3.32Å; A84-Q88 PolarHBondContact O-N 3.06Å; A84-Q88 VanDerWaalsContact O-N 3.1Å; A85-Q88 PolarHBondContact O-N 2.83Å; Q88-S92 WeakPolarHBondContact O-CB 3.37Å; Q88-S92 PolarHBondContact O-N 3.23Å
89E84.8Confident81.4Confident144 Ų144105.7 Ų105.767%0.67357%0.567SS**Hα-helixtrans-66.3-43.7175.7-169.4-178.616800111.6A85 A86 K87 S92 M93A85-E89 PolarHBondContact O-N 2.91Å; A86-E89 PolarHBondContact O-N 3.36Å; K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.87Å; E89-S92 PolarHBondContact O-N 3.5Å; E89-M93 WeakPolarHBondContact O-CB 3.49Å; E89-M93 PolarHBondContact O-N 2.94Å
90A85.9Confident79.4Confident59 Ų59107.4 Ų107.449%0.48858%0.581SS.*Hα-helixtrans-62.8-44.3175.800000112.3A86 K87 M93 E94A86-A90 WeakPolarHBondContact O-CB 3.41Å; A86-A90 PolarHBondContact O-N 3.11Å; K87-A90 PolarHBondContact O-N 2.81Å; A90-M93 PolarHBondContact O-N 3.3Å; A90-E94 WeakPolarHBondContact O-CB 3.1Å; A90-E94 PolarHBondContact O-N 3.06Å
91E83.8Confident77.1Confident133 Ų133107.6 Ų107.662%0.62160%0.595SS**Hα-helixtrans-65.3-39.1176.4-72.5174.4-179.500111.9K87 S95K87-E91 WeakPolarHBondContact O-CB 3.46Å; K87-E91 VanDerWaalsContact O-CG 3.32Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.44Å; E91-S95 WeakPolarHBondContact O-CB 3.48Å; E91-S95 PolarHBondContact O-N 3.47Å; E91-S95 PolarHBondContact O-OG 3.13Å
92S78.8Confident74.7Confident63 Ų63108 Ų10844%0.44161%0.605SS.*Hα-helixtrans-62.6-48.2173.4-179.90000111.5Q88 E89 E94 S95 L96Q88-S92 WeakPolarHBondContact O-CB 3.37Å; Q88-S92 PolarHBondContact O-N 3.23Å; E89-S92 PolarHBondContact O-N 3.5Å; S92-E94 VanDerWaalsContact C-N 3.35Å; S92-E94 PolarHBondContact O-N 2.97Å; S92-S95 PolarHBondContact O-N 3.45Å; S92-S95 PolarHBondContact O-OG 3.49Å; S92-L96 WeakPolarHBondContact O-CD1 3.18Å; S92-L96 PolarHBondContact O-N 3.38Å
93M76.8Confident72.2Confident134 Ų134105 Ų10566%0.6661%0.613SS**Hα-helixtrans-64.4-37178.9-169.5173.4-174.900112.4E89 A90 L96 S97E89-M93 WeakPolarHBondContact O-CB 3.49Å; E89-M93 PolarHBondContact O-N 2.94Å; A90-M93 PolarHBondContact O-N 3.3Å; M93-L96 PolarHBondContact O-N 3.38Å; M93-S97 PolarHBondContact O-N 2.93Å
94E73.2Confident69.5Low121 Ų121103.8 Ų103.857%0.56563%0.629SS**Hα-helixtrans-67.1-40.5174.1-173.9168172.600111.5A90 S92 L96 S97A90-E94 WeakPolarHBondContact O-CB 3.1Å; A90-E94 PolarHBondContact O-N 3.06Å; S92-E94 VanDerWaalsContact C-N 3.35Å; S92-E94 PolarHBondContact O-N 2.97Å; E94-L96 PolarHBondContact O-N 2.93Å; E94-S97 PolarHBondContact O-N 3.17Å; E94-S97 PolarHBondContact O-OG 3.39Å
95S64.9Low67Low68 Ų68105 Ų10548%0.47665%0.646SS.*Hα-helixtrans-65.6-35176.271.50000113.4E91 S92 S97 R98E91-S95 WeakPolarHBondContact O-CB 3.48Å; E91-S95 PolarHBondContact O-N 3.47Å; E91-S95 PolarHBondContact O-OG 3.13Å; S92-S95 PolarHBondContact O-N 3.45Å; S92-S95 PolarHBondContact O-OG 3.49Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.87Å; S95-R98 PolarHBondContact O-N 3.44Å
96L61.6Low64.4Low123 Ų123109.9 Ų109.964%0.64467%0.665SS**Hα-helixtrans-69.6-25.9175-80.4152.4000113.4S92 M93 E94 R98S92-L96 WeakPolarHBondContact O-CD1 3.18Å; S92-L96 PolarHBondContact O-N 3.38Å; M93-L96 PolarHBondContact O-N 3.38Å; E94-L96 PolarHBondContact O-N 2.93Å; L96-R98 VanDerWaalsContact C-N 3.31Å; L96-R98 PolarHBondContact O-N 3.49Å
97S56.8Low61.8Low85 Ų85114.5 Ų114.559%0.59468%0.682SS**THydrogen-bonded Turntrans-77.4-11.7179.974.30000114.5M93 E94 S95M93-S97 PolarHBondContact O-N 2.93Å; E94-S97 PolarHBondContact O-N 3.17Å; E94-S97 PolarHBondContact O-OG 3.39Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.87Å
98R56.2Low59.2Low201 Ų201117.9 Ų117.976%0.75870%0.704SS**THydrogen-bonded Turntrans-84.2-14177.8-86.9-178.7175.4150.55.4114.7S95 L96S95-R98 PolarHBondContact O-N 3.44Å; L96-R98 VanDerWaalsContact C-N 3.31Å; L96-R98 PolarHBondContact O-N 3.49Å
99D54Low57Low146 Ų146123 Ų12378%0.78172%0.717SS**SBendtrans-112.213.3-171.2-70.8-23.1000115
100A55Low54.5Low93 Ų93122.1 Ų122.177%0.76973%0.728SS**  trans-108.761.3178.900000113.3
101D47.2Very low52.1Low171 Ų171123.6 Ų123.691%0.91474%0.74SS**  trans-108.987.7155.9-172.138.8000108.3
102G45.1Very low49.8Very low70 Ų70123.5 Ų123.572%0.72275%0.748SS**  trans175.668.1-173.900000116.7
103G40.7Very low47.7Very low83 Ų83127.2 Ų127.286%0.85676%0.758SS**  trans63.8111.9136.200000121.3
104G37.6Very low45.9Very low81 Ų81128.3 Ų128.384%0.83577%0.767SS**  97.2102.911500000120.2
105G40.4Very low44.3Very low72 Ų72129.4 Ų129.474%0.74277%0.772SS**  trans67157.7142.300000117.9
106N37.2Very low43.2Very low159 Ų159133.2 Ų133.285%0.8579%0.787SS**  cis-154.2154.816.7-31.6-44.6000108
107N37.9Very low43Very low151 Ų151134.1 Ų134.181%0.80779%0.792SS**  trans-54.4147.2169.9-57.2-81.1000113.7
108L39Very low42.8Very low182 Ų182135.6 Ų135.695%0.95380%0.799SS**  trans-147.4136.1139.1-126.682.4000110.8
109R39.2Very low42.8Very low243 Ų243131.6 Ų131.692%0.91780%0.799SS**  trans-76.9151.8-169.7-61.3168.8167.1176.3-6.3112.3
110S33.1Very low43Very low127 Ų127130.2 Ų130.289%0.88880%0.798SS**  trans-147.7118.3142.7-165.40000109.7
111A36Very low43Very low89 Ų89130 Ų13074%0.73680%0.796SS**  trans-134.8153173.100000107.2
112V36.2Very low43.5Very low132 Ų132129.8 Ų129.880%0.879%0.794SS**  trans98.5126.7177.7169.20000113.6
113E34.5Very low44.1Very low141 Ų141133.2 Ų133.266%0.65980%0.796SS**  cis-177.3115-8.5-177.4147.6116.800104.6Q115E113-Q115 HydrophobicContact CG-CG 3.72Å; E113-Q115 PolarHBondContact OE1-NE2 3.25Å
114D37.6Very low44.9Very low157 Ų157134.9 Ų134.984%0.8479%0.792SS**  trans-106102.8170.7-167.547000106.4D116D114-D116 PolarHBondContact O-N 3.48Å
115Q40.8Very low46.1Very low144 Ų144137.6 Ų137.667%0.67379%0.792SS**  trans-92.889.7178.8-75.4-95.925.400108.4E113E113-Q115 HydrophobicContact CG-CG 3.72Å; E113-Q115 PolarHBondContact OE1-NE2 3.25Å
116D41.2Very low46.8Very low147 Ų147141.9 Ų141.979%0.78680%0.797SS**  trans-85.5110.6170.2-15716.5000108.8D114D114-D116 PolarHBondContact O-N 3.48Å
117L57Low48Very low143 Ų143138 Ų13875%0.74979%0.787SS**PPolyproline II helixtrans-78.1133.8174.7-71.4170.7000109.1
118P53.5Low49Very low116 Ų116134.7 Ų134.775%0.75379%0.789SS**PPolyproline II helixtrans-67.8137.3178.527-33000111.1
119P54.7Low50.1Low116 Ų116132 Ų13275%0.75378%0.775SS**PPolyproline II helixtrans-66.7152175.426.8-32.7000111.1A121P119-A121 PolarHBondContact O-N 2.95Å
120P58.2Low51.4Low118 Ų118123.8 Ų123.877%0.76676%0.755SS**PPolyproline II helixtrans-63.7132.7-176.125.6-33.1000111.3L122P120-L122 PolarHBondContact O-N 2.71Å; P120-L122 VanDerWaalsContact O-N 3.11Å
121A55.7Low52.7Low88 Ų88125.3 Ų125.373%0.72775%0.747SS**  trans-58114.1177.700000111P119 N123P119-A121 PolarHBondContact O-N 2.95Å; A121-N123 PolarHBondContact O-N 3.03Å
122L58.9Low53.9Low166 Ų166126.2 Ų126.287%0.86974%0.74SS**  trans-75.2102.8169.9-69.8170.8000108.3P120 P124P120-L122 PolarHBondContact O-N 2.71Å; P120-L122 VanDerWaalsContact O-N 3.11Å; L122-P124 WeakPolarHBondContact O-CD 3.41Å
123N57.1Low55.1Low142 Ų142121.6 Ų121.676%0.75972%0.716SS**  trans-64.3120.5170.4-66.5-52.9000108.7A121 V125A121-N123 PolarHBondContact O-N 3.03Å; N123-V125 PolarHBondContact O-N 3.44Å; N123-V125 VanDerWaalsContact O-N 3.15Å
124P58.2Low56.6Low118 Ų118120.7 Ų120.777%0.76671%0.714SS**  trans-65.6120.8176.925.8-31.9000108.8L122 L126L122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-L126 PolarHBondContact O-N 3.16Å
125V62.8Low58.2Low138 Ų138120.8 Ų120.884%0.83671%0.714SS**  trans-62111.2169.8176.60000106.7N123 A127N123-V125 PolarHBondContact O-N 3.44Å; N123-V125 VanDerWaalsContact O-N 3.15Å; V125-A127 PolarHBondContact O-N 2.93Å
126L54.2Low59.5Low162 Ų162118 Ų11885%0.84871%0.706SS**  trans-59101.4172.6-75.2166.3000108.1P124 G128P124-L126 PolarHBondContact O-N 3.16Å; L126-G128 PolarHBondContact O-N 2.98Å
127A61.6Low60.9Low78 Ų78116.8 Ų116.865%0.64571%0.707SS**  trans-62.2107.2172.900000107.8V125 L129V125-A127 PolarHBondContact O-N 2.93Å; A127-L129 PolarHBondContact O-N 3.32Å
128G60.7Low61.4Low82 Ų82117.2 Ų117.285%0.84571%0.709SS**  trans-6971.817700000111.2L126 S130L126-G128 PolarHBondContact O-N 2.98Å; G128-S130 PolarHBondContact O-N 2.86Å
129L60.5Low62.2Low124 Ų124117.2 Ų117.265%0.64971%0.709SS**  trans-78.1111.6171.9-69.7172.8000108.4A127A127-L129 PolarHBondContact O-N 3.32Å
130S66.7Low62.5Low72 Ų72115.7 Ų115.750%0.50371%0.706SS.*  trans-69.3143.2169.367.20000109.4G128 N132 A133G128-S130 PolarHBondContact O-N 2.86Å; S130-N132 PolarHBondContact O-N 3.47Å; S130-A133 WeakPolarHBondContact O-CB 3.42Å; S130-A133 PolarHBondContact O-N 3.15Å; S130-A133 WeakPolarHBondContact OG-CB 3.35Å
131H60.8Low62.6Low158 Ų158115.9 Ų115.973%0.73171%0.707SS**THydrogen-bonded Turntrans-60.6-7.1-170.556.4-83.1000115.6
132N60.8Low62.5Low108 Ų108123.2 Ų123.258%0.57872%0.716SS**THydrogen-bonded Turntrans-111.2-8.2176.3-61.4-43.1000113.6S130 I134 T136S130-N132 PolarHBondContact O-N 3.47Å; N132-I134 VanDerWaalsContact C-N 3.34Å; N132-T136 PolarHBondContact O-OG1 3.42Å
133A61.2Low62.4Low35 Ų35123.4 Ų123.429%0.28972%0.717SS.*THydrogen-bonded Turntrans-78.9-15.6-179.200000113.5S130 T136S130-A133 WeakPolarHBondContact O-CB 3.42Å; S130-A133 PolarHBondContact O-N 3.15Å; S130-A133 WeakPolarHBondContact OG-CB 3.35Å; A133-T136 WeakPolarHBondContact CA-OG1 3.38Å; A133-T136 PolarHBondContact O-OG1 2.99Å
134I66.1Low62Low122 Ų122119.1 Ų119.163%0.62671%0.707SS**SBendtrans-76.5-31.8-177.5-57.9172.7000111.5N132N132-I134 VanDerWaalsContact C-N 3.34Å
135L71.4Confident61.4Low160 Ų160120 Ų12084%0.83871%0.712SS**SBendtrans-93.4-1.4-178.3-60.3179.8000113.2
136T68.8Low60.4Low84 Ų84125.1 Ų125.152%0.51572%0.717SS.*SBendtrans-101.5116.9176.621.20000109N132 A133 L138N132-T136 PolarHBondContact O-OG1 3.42Å; A133-T136 WeakPolarHBondContact CA-OG1 3.38Å; A133-T136 PolarHBondContact O-OG1 2.99Å; T136-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact O-N 3.11Å
137P70.5Confident60Low123 Ų123127 Ų12780%0.79972%0.718SS**PPolyproline II helixtrans-62.6119.7176.725.3-32.3000109
138L68.1Low58.9Low151 Ų151128.1 Ų128.179%0.79172%0.721SS**PPolyproline II helixtrans-69.8133.8173.5-69172.5000109T136 A140T136-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact O-N 3.11Å; L138-A140 PolarHBondContact O-N 2.75Å
139P68.8Low57.8Low117 Ų117133 Ų13376%0.7672%0.722SS**PPolyproline II helixtrans-59133.4173.3-21.231.6000110.6
140A61.1Low57.2Low83 Ų83134.8 Ų134.869%0.68673%0.732SS**PPolyproline II helixtrans-53.4133.2178.600000110.9L138 R142L138-A140 PolarHBondContact O-N 2.75Å; A140-R142 PolarHBondContact O-N 3.03Å
141P61.7Low56Low122 Ų122136.3 Ų136.379%0.79274%0.743SS**  trans-56.4112.5176.9-2332.3000109.9L143P141-L143 PolarHBondContact O-N 2.97Å
142R53.6Low55.1Low242 Ų242134.7 Ų134.791%0.91374%0.744SS**  trans-75.897.2173.8-66.5-160.3160-146.6-7.6107.8A140 G144A140-R142 PolarHBondContact O-N 3.03Å; R142-G144 VanDerWaalsContact C-N 3.35Å; R142-G144 PolarHBondContact O-N 3.42Å
143L55.2Low54.2Low171 Ų171135.6 Ų135.690%0.89576%0.756SS**  trans-57.3102.3163.9-65.8172.8000107.1P141P141-L143 PolarHBondContact O-N 2.97Å
144G50.2Low53.7Low52 Ų52140.8 Ų140.854%0.53677%0.774SS.*  trans-61.1162.617400000111.3R142 R146R142-G144 VanDerWaalsContact C-N 3.35Å; R142-G144 PolarHBondContact O-N 3.42Å; G144-R146 PolarHBondContact O-N 3.29Å
145P45.7Very low53.2Low136 Ų136139 Ų13988%0.88377%0.771SS**  trans-64.9106.9-174.525.3-31000110
146R41.3Very low52.7Low245 Ų245140.4 Ų140.493%0.92577%0.773SS**  trans-76.4134.1163.4-102.6-155.5157178.8-3.6109G144 S148G144-R146 PolarHBondContact O-N 3.29Å; R146-S148 PolarHBondContact O-N 3.49Å
147K44.9Very low52.2Low203 Ų203142.1 Ų142.188%0.88378%0.779SS**  trans-50.1131.2177.3-67.6175.4176.7179.50110.5Q149K147-Q149 PolarHBondContact O-N 3.12Å
148S38.4Very low51.9Low101 Ų101142.9 Ų142.971%0.70678%0.776SS**  trans-42.2116.1165.9440000112.3R146R146-S148 PolarHBondContact O-N 3.49Å
149Q38.5Very low52Low184 Ų184140.3 Ų140.386%0.8676%0.762SS**  trans-94.3117.2135.7-86.1-155.5-68.800106.5K147 S151K147-Q149 PolarHBondContact O-N 3.12Å; Q149-S151 PolarHBondContact O-N 2.87Å
150D47.9Very low52Low161 Ų161140.5 Ų140.586%0.86176%0.757SS**  trans-58.1100.4170.9-71.4-50.9000109.6
151S41.6Very low52.6Low105 Ų105138.2 Ų138.273%0.73474%0.738SS**  trans-146.7123.9148.856.70000106.2Q149Q149-S151 PolarHBondContact O-N 2.87Å
152T41.1Very low53.2Low124 Ų124137 Ų13776%0.76172%0.724SS**  trans-14138.3175.8-40.60000115.7Q154T152-Q154 PolarHBondContact O-N 3.29Å
153P41.4Very low54.2Low126 Ų126132.3 Ų132.382%0.81871%0.711SS**  trans-67.784.3173.130.2-33.8000109.4
154Q52.2Low54.9Low145 Ų145132 Ų13268%0.67871%0.705SS**  trans-66.8125.7153.5-106.1-84.5-38.500105.1T152 Q156T152-Q154 PolarHBondContact O-N 3.29Å; Q154-Q156 PolarHBondContact O-N 3.46Å; Q154-Q156 VanDerWaalsContact O-N 3.12Å
155P54.7Low55.6Low85 Ų85138.1 Ų138.155%0.55271%0.712SS**  trans-52.4127.716125.2-30.5000105N157P155-N157 PolarHBondContact O-N 3.44Å
156Q61.2Low56.9Low189 Ų189138.8 Ų138.888%0.88370%0.703SS**  trans-63.783.4167-69.2-178-18.900105.4Q154 L158Q154-Q156 PolarHBondContact O-N 3.46Å; Q154-Q156 VanDerWaalsContact O-N 3.12Å; Q156-L158 VanDerWaalsContact C-N 3.31Å; Q156-L158 PolarHBondContact O-N 2.94Å
157N57.6Low58.4Low120 Ų120132.7 Ų132.764%0.64269%0.685SS**  trans-57.4107.4165.1-87.5-51000103.1P155 N159P155-N157 PolarHBondContact O-N 3.44Å; N157-N159 VanDerWaalsContact C-N 3.28Å; N157-N159 PolarHBondContact O-N 3.32Å
158L65.3Low60.1Low139 Ų139126.7 Ų126.773%0.72866%0.663SS**  trans-49107163.9-65171000104.8Q156 L160Q156-L158 VanDerWaalsContact C-N 3.31Å; Q156-L158 PolarHBondContact O-N 2.94Å; L158-L160 PolarHBondContact O-N 3.08Å
159N70.8Confident62Low96 Ų96126.3 Ų126.351%0.51366%0.658SS.*  trans-70.9105-179.3-175.99.3000105.2N157 A161 D162N157-N159 VanDerWaalsContact C-N 3.28Å; N157-N159 PolarHBondContact O-N 3.32Å; N159-A161 PolarHBondContact O-N 2.93Å; N159-A161 VanDerWaalsContact O-N 3.16Å; N159-A161 VanDerWaalsContact OD1-CB 3.28Å; N159-A161 WeakPolarHBondContact OD1-CB 3.44Å; N159-A161 PolarHBondContact OD1-N 3Å; N159-D162 VanDerWaalsContact O-CB 3.26Å; N159-D162 WeakPolarHBondContact O-CB 3.45Å; N159-D162 PolarHBondContact O-N 3.12Å
160L68.1Low63.9Low122 Ų122124.7 Ų124.764%0.63965%0.648SS**G310 helixtrans-59.7-25.9179-62.3173.3000110.8L158 D162 F163 E164L158-L160 PolarHBondContact O-N 3.08Å; L160-D162 PolarHBondContact O-N 2.9Å; L160-D162 VanDerWaalsContact O-N 3.14Å; L160-F163 PolarHBondContact O-N 3.08Å; L160-E164 PolarHBondContact O-N 3.48Å; L160-E164 VanDerWaalsContact O-N 3.16Å
161A73.6Confident65.2Low35 Ų35121.9 Ų121.929%0.28963%0.633SS.*G310 helixtrans-67.3-8.1171.900000114N159 R165N159-A161 PolarHBondContact O-N 2.93Å; N159-A161 VanDerWaalsContact O-N 3.16Å; N159-A161 VanDerWaalsContact OD1-CB 3.28Å; N159-A161 WeakPolarHBondContact OD1-CB 3.44Å; N159-A161 PolarHBondContact OD1-N 3Å; A161-R165 WeakPolarHBondContact O-CD 3.23Å; A161-R165 WeakPolarHBondContact O-CG 3.35Å; A161-R165 PolarHBondContact O-NE 3.49Å
162D74.4Confident66.6Low96 Ų96124.2 Ų124.251%0.51363%0.63SS.*G310 helixtrans-80.6-25.1170.2-13023.2000111.8N159 L160 R165N159-D162 VanDerWaalsContact O-CB 3.26Å; N159-D162 WeakPolarHBondContact O-CB 3.45Å; N159-D162 PolarHBondContact O-N 3.12Å; L160-D162 PolarHBondContact O-N 2.9Å; L160-D162 VanDerWaalsContact O-N 3.14Å; D162-R165 IonicContact OD1-CZ 2.85Å; D162-R165 IonicContact OD1-NH2 3.89Å; D162-R165 PolarHBondContact OD1-NH2 3.31Å
163F73.3Confident68Low144 Ų144124 Ų12463%0.63262%0.623SS**THydrogen-bonded Turntrans-91.4-25.6175.9-64.3-86000112.8L160L160-F163 PolarHBondContact O-N 3.08Å
164E70.9Confident69.7Low164 Ų164125.7 Ų125.777%0.76662%0.621SS**SBendtrans-83.4-16.6177.6-67.5177.8164.200113.5L160L160-E164 PolarHBondContact O-N 3.48Å; L160-E164 VanDerWaalsContact O-N 3.16Å
165R65.4Low70.7Confident180 Ų180126.5 Ų126.568%0.67963%0.629SS**SBendtrans-92.1-7.1174.5-66.7-177.6-54148.67.2113.1A161 D162 E167A161-R165 WeakPolarHBondContact O-CD 3.23Å; A161-R165 WeakPolarHBondContact O-CG 3.35Å; A161-R165 PolarHBondContact O-NE 3.49Å; D162-R165 IonicContact OD1-CZ 2.85Å; D162-R165 IonicContact OD1-NH2 3.89Å; D162-R165 PolarHBondContact OD1-NH2 3.31Å; R165-E167 VanDerWaalsContact C-N 3.28Å; R165-E167 PolarHBondContact O-N 3.22Å
166E71.6Confident71.6Confident150 Ų150132.1 Ų132.170%0.70164%0.644SS**SBendtrans-77.791.1169.6-167.5140.2-128.700106.8D168E166-D168 PolarHBondContact O-N 3.43Å
167E73.4Confident72.4Confident117 Ų117129.8 Ų129.855%0.54764%0.644SS.*  trans-48.5130.8174.1-172.1154.4-136.400109.4R165 P169 D171 K172R165-E167 VanDerWaalsContact C-N 3.28Å; R165-E167 PolarHBondContact O-N 3.22Å; E167-P169 VanDerWaalsContact O-N 3.1Å; E167-D171 HydrophobicContact CG-CB 4.49Å; E167-K172 WeakPolarHBondContact OE2-CE 3.16Å; E167-K172 IonicContact OE2-NZ 2.77Å; E167-K172 PolarHBondContact OE2-NZ 3.02Å
168D81.4Confident73.5Confident78 Ų78128.2 Ų128.242%0.41764%0.635SS.*  trans-48.5121.8-172.1-177.2-15.7000108.7E166 F170 D171E166-D168 PolarHBondContact O-N 3.43Å; D168-F170 PolarHBondContact O-N 3.47Å; D168-F170 WeakPolarHBondContact OD1-CB 3.32Å; D168-F170 VanDerWaalsContact OD1-CD2 3.24Å; D168-F170 WeakPolarHBondContact OD1-CD2 3.34Å; D168-F170 PolarHBondContact OD1-N 2.89Å; D168-D171 HydrophobicContact CB-CB 3.99Å; D168-D171 WeakPolarHBondContact O-CB 3.44Å; D168-D171 PolarHBondContact O-N 3Å
169P78.7Confident74.4Confident93 Ų93125.7 Ų125.760%0.60462%0.622SS**THydrogen-bonded Turntrans-57.9-15.3179.223.9-34.6000112.6E167E167-P169 VanDerWaalsContact O-N 3.1Å
170F77Confident75.2Confident150 Ų150126.6 Ų126.666%0.65863%0.627SS**THydrogen-bonded Turntrans-95.5-13.8174.6-56.1-75.6000114.4D168 K172 L173D168-F170 PolarHBondContact O-N 3.47Å; D168-F170 WeakPolarHBondContact OD1-CB 3.32Å; D168-F170 VanDerWaalsContact OD1-CD2 3.24Å; D168-F170 WeakPolarHBondContact OD1-CD2 3.34Å; D168-F170 PolarHBondContact OD1-N 2.89Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 2.77Å; F170-L173 WeakPolarHBondContact O-CA 3.46Å; F170-L173 VanDerWaalsContact O-CB 3.23Å; F170-L173 WeakPolarHBondContact O-CB 3.13Å; F170-L173 PolarHBondContact O-N 3.43Å
171D74.6Confident76.2Confident102 Ų102127.3 Ų127.355%0.54562%0.624SS.*G310 helixtrans-65.8-33.6177.4-111.8-3.2000111.4E167 D168 L173E167-D171 HydrophobicContact CG-CB 4.49Å; D168-D171 HydrophobicContact CB-CB 3.99Å; D168-D171 WeakPolarHBondContact O-CB 3.44Å; D168-D171 PolarHBondContact O-N 3Å; D171-L173 PolarHBondContact O-N 3.21Å
172K71.5Confident76.8Confident154 Ų154130.6 Ų130.667%0.6763%0.634SS**G310 helixtrans-80.2-1.2175-62.8177.6-169.7-179.60112.8E167 F170E167-K172 WeakPolarHBondContact OE2-CE 3.16Å; E167-K172 IonicContact OE2-NZ 2.77Å; E167-K172 PolarHBondContact OE2-NZ 3.02Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 2.77Å
173L71.8Confident77.4Confident118 Ų118130.3 Ų130.362%0.61863%0.63SS**G310 helixtrans-98.313179.5-120.893.1000112.6F170 D171 L175F170-L173 WeakPolarHBondContact O-CA 3.46Å; F170-L173 VanDerWaalsContact O-CB 3.23Å; F170-L173 WeakPolarHBondContact O-CB 3.13Å; F170-L173 PolarHBondContact O-N 3.43Å; D171-L173 PolarHBondContact O-N 3.21Å; L173-L175 PolarHBondContact O-N 3.32Å
174E77.1Confident78.1Confident163 Ų163128.3 Ų128.376%0.76263%0.625SS**  trans-51.8114.2164.758173.6-167.500108.9K176E174-K176 PolarHBondContact O-N 3.1Å
175L72.1Confident78.8Confident162 Ų162126.2 Ų126.285%0.84861%0.61SS**  trans-61.5109.7178.2-77.5148.1000106.6L173 T177L173-L175 PolarHBondContact O-N 3.32Å; L175-T177 PolarHBondContact O-N 2.93Å
176K73.3Confident79.7Confident202 Ų202122.2 Ų122.288%0.87860%0.602SS**  trans-52.9110.5165.6-73.2178.1176.9175.20106.6E174 L178E174-K176 PolarHBondContact O-N 3.1Å; K176-L178 PolarHBondContact O-N 3.08Å
177T78.9Confident80.2Confident141 Ų141119.7 Ų119.787%0.86559%0.593SS**  trans-69105.4174.8-57.70000105.8L175L175-T177 PolarHBondContact O-N 2.93Å
178L81.3Confident80.5Confident87 Ų87120.2 Ų120.246%0.45560%0.598SS.*  trans-71.7138.2175.5176.3147.1000108.2K176 D180 E183K176-L178 PolarHBondContact O-N 3.08Å; L178-D180 PolarHBondContact O-N 3.31Å; L178-E183 HydrophobicContact CD1-CB 4.16Å; L178-E183 HydrophobicContact CD1-CG 4.28Å; L178-E183 WeakPolarHBondContact CD1-OE2 3.42Å; L178-E183 HydrophobicContact CD2-CB 3.65Å; L178-E183 HydrophobicContact CD2-CG 4.38Å; L178-E183 WeakPolarHBondContact CD2-OE2 3.42Å; L178-E183 HydrophobicContact CG-CB 4.25Å
179D82.5Confident80Confident85 Ų85123.2 Ų123.246%0.45561%0.61SS.*  trans-78.7100.7169.31795.7000108.5K181 E182 E183D179-K181 PolarHBondContact O-N 3.44Å; D179-K181 WeakPolarHBondContact OD1-CB 3.18Å; D179-K181 PolarHBondContact OD1-N 3.38Å; D179-E182 HydrophobicContact CB-CB 4.09Å; D179-E182 PolarHBondContact O-N 3.19Å; D179-E183 PolarHBondContact O-N 3.33Å; D179-E183 VanDerWaalsContact O-N 3.09Å
180D89.4Confident79.4Confident116 Ų116123.1 Ų123.162%0.6261%0.611SS**Hα-helixtrans-49.4-34.4-180-67.2-24.2000111.4L178 L184L178-D180 PolarHBondContact O-N 3.31Å; D180-L184 VanDerWaalsContact O-CB 3.26Å; D180-L184 WeakPolarHBondContact O-CB 3.48Å; D180-L184 WeakPolarHBondContact O-CD1 3.37Å; D180-L184 WeakPolarHBondContact O-CG 3.34Å; D180-L184 PolarHBondContact O-N 3.33Å
181K87.8Confident78.9Confident136 Ų136123 Ų12359%0.59161%0.613SS**Hα-helixtrans-72.5-34.9-179-165.9-178.569.7-1750112.3D179 R185D179-K181 PolarHBondContact O-N 3.44Å; D179-K181 WeakPolarHBondContact OD1-CB 3.18Å; D179-K181 PolarHBondContact OD1-N 3.38Å; K181-R185 WeakPolarHBondContact O-CG 3.36Å; K181-R185 PolarHBondContact O-N 3.34Å
182E85.8Confident77.8Confident105 Ų105123.7 Ų123.749%0.49162%0.623SS.*Hα-helixtrans-73-43176.1-176173.6-174.100111.4D179 R185 N186D179-E182 HydrophobicContact CB-CB 4.09Å; D179-E182 PolarHBondContact O-N 3.19Å; E182-R185 PolarHBondContact O-N 3.25Å; E182-N186 PolarHBondContact O-N 3.3Å
183E87.4Confident77.1Confident90 Ų90125.1 Ų125.142%0.42163%0.632SS.*Hα-helixtrans-63.3-43.4175.9-174.6-177.7-170.800111.3L178 D179 R185 N186 I187L178-E183 HydrophobicContact CD1-CB 4.16Å; L178-E183 HydrophobicContact CD1-CG 4.28Å; L178-E183 WeakPolarHBondContact CD1-OE2 3.42Å; L178-E183 HydrophobicContact CD2-CB 3.65Å; L178-E183 HydrophobicContact CD2-CG 4.38Å; L178-E183 WeakPolarHBondContact CD2-OE2 3.42Å; L178-E183 HydrophobicContact CG-CB 4.25Å; D179-E183 PolarHBondContact O-N 3.33Å; D179-E183 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.94Å; E183-N186 WeakPolarHBondContact O-CB 3.32Å; E183-N186 PolarHBondContact O-N 2.91Å; E183-N186 VanDerWaalsContact O-N 3.08Å; E183-I187 HydrophobicContact CG-CD1 3.99Å; E183-I187 HydrophobicContact CG-CG1 4.47Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.67Å
184L88.1Confident75.8Confident102 Ų102124.6 Ų124.653%0.53464%0.636SS.*Hα-helixtrans-60.3-37.3174.7-73.1172000112.1D180 I187 L188D180-L184 VanDerWaalsContact O-CB 3.26Å; D180-L184 WeakPolarHBondContact O-CB 3.48Å; D180-L184 WeakPolarHBondContact O-CD1 3.37Å; D180-L184 WeakPolarHBondContact O-CG 3.34Å; D180-L184 PolarHBondContact O-N 3.33Å; L184-I187 PolarHBondContact O-N 3.16Å; L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 WeakPolarHBondContact O-CD1 3.45Å; L184-L188 VanDerWaalsContact O-CG 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.44Å
185R86.1Confident74.2Confident119 Ų119122.2 Ų122.245%0.44963%0.634SS.*Hα-helixtrans-65.7-41.4173.1-78.5-162.9-63.3110.3-3.9112.1K181 E182 E183 I187 L188 Q189K181-R185 WeakPolarHBondContact O-CG 3.36Å; K181-R185 PolarHBondContact O-N 3.34Å; E182-R185 PolarHBondContact O-N 3.25Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.94Å; R185-I187 VanDerWaalsContact C-N 3.35Å; R185-L188 PolarHBondContact O-N 3.41Å; R185-Q189 VanDerWaalsContact O-CB 3.3Å; R185-Q189 WeakPolarHBondContact O-CB 3.04Å; R185-Q189 VanDerWaalsContact O-CG 3.24Å; R185-Q189 WeakPolarHBondContact O-CG 3.33Å; R185-Q189 PolarHBondContact O-N 3.38Å
186N83.8Confident73Confident97 Ų97120.7 Ų120.752%0.51963%0.634SS.*Hα-helixtrans-62-42.6175.4-97.5-10.1000111.7E182 E183 Q189 S190E182-N186 PolarHBondContact O-N 3.3Å; E183-N186 WeakPolarHBondContact O-CB 3.32Å; E183-N186 PolarHBondContact O-N 2.91Å; E183-N186 VanDerWaalsContact O-N 3.08Å; N186-Q189 PolarHBondContact O-N 2.99Å; N186-S190 VanDerWaalsContact O-CB 3.27Å; N186-S190 WeakPolarHBondContact O-CB 3.47Å; N186-S190 PolarHBondContact O-N 2.92Å; N186-S190 PolarHBondContact O-OG 3.35Å
187I83.3Confident71.1Confident97 Ų97116.7 Ų116.750%0.49763%0.632SS.*Hα-helixtrans-64.6-44.7177.3-65.2165.9000110.9E183 L184 R185 Q189 S190E183-I187 HydrophobicContact CG-CD1 3.99Å; E183-I187 HydrophobicContact CG-CG1 4.47Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.67Å; L184-I187 PolarHBondContact O-N 3.16Å; R185-I187 VanDerWaalsContact C-N 3.35Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 3.11Å; I187-S190 WeakPolarHBondContact CA-OG 3.41Å; I187-S190 PolarHBondContact O-N 2.63Å; I187-S190 PolarHBondContact O-OG 3.01Å
188L78.4Confident69.2Low128 Ų128118.1 Ų118.167%0.6763%0.631SS**Hα-helixtrans-67.1-32178.8-73.3165.3000112.8L184 R185L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 WeakPolarHBondContact O-CD1 3.45Å; L184-L188 VanDerWaalsContact O-CG 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.44Å; R185-L188 PolarHBondContact O-N 3.41Å
189Q71.1Confident67.1Low140 Ų140119.6 Ų119.665%0.65465%0.648SS**Hα-helixtrans-85.3-23.8178.7-71.2178.95.900113.8R185 N186 I187 Q191R185-Q189 VanDerWaalsContact O-CB 3.3Å; R185-Q189 WeakPolarHBondContact O-CB 3.04Å; R185-Q189 VanDerWaalsContact O-CG 3.24Å; R185-Q189 WeakPolarHBondContact O-CG 3.33Å; R185-Q189 PolarHBondContact O-N 3.38Å; N186-Q189 PolarHBondContact O-N 2.99Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 3.11Å; Q189-Q191 VanDerWaalsContact C-N 3.28Å
190S65.5Low65.1Low91 Ų91121.2 Ų121.264%0.63666%0.663SS**SBendtrans-84.70.4178.249.60000113.7N186 I187N186-S190 VanDerWaalsContact O-CB 3.27Å; N186-S190 WeakPolarHBondContact O-CB 3.47Å; N186-S190 PolarHBondContact O-N 2.92Å; N186-S190 PolarHBondContact O-OG 3.35Å; I187-S190 WeakPolarHBondContact CA-OG 3.41Å; I187-S190 PolarHBondContact O-N 2.63Å; I187-S190 PolarHBondContact O-OG 3.01Å
191Q66.9Low62.9Low147 Ų147121 Ų12169%0.68767%0.668SS**SBendtrans-74.3123166.3-159.9177.512.600109.7Q189 Q193Q189-Q191 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 3.31Å
192P51.4Low60.5Low118 Ų118122.9 Ų122.977%0.76668%0.679SS**PPolyproline II helixtrans-61.3117.1178.8-1929.9000110.2
193Q57.2Low57.9Low183 Ų183127 Ų12786%0.85570%0.698SS**PPolyproline II helixtrans-57.7130.6167.8-121.4-178.6-46.300108.8Q191Q191-Q193 PolarHBondContact O-N 3.31Å
194P44.9Very low55.2Low107 Ų107126 Ų12670%0.69571%0.712SS**PPolyproline II helixtrans-64.7147.3164.926.8-30.4000109.2
195P43.9Very low52.5Low113 Ų113126.3 Ų126.373%0.73472%0.723SS**PPolyproline II helixtrans-64.9154.5-174.626.8-34.1000111.9S197P195-S197 PolarHBondContact O-N 3.46Å
196P46.3Very low50Low130 Ų130127.3 Ų127.384%0.84474%0.742SS**  trans-69.7104.1178.929-32.1000109.3M198P196-M198 PolarHBondContact O-N 2.9Å
197S32.5Very low47.6Very low118 Ų118127.5 Ų127.583%0.82575%0.751SS**  trans-77.1109.9172.2-173.40000109.1P195P195-S197 PolarHBondContact O-N 3.46Å
198M38.9Very low45.4Very low172 Ų172134.7 Ų134.785%0.84777%0.772SS**  trans-53.6138.1167.1-64.6-120.3167.100110.8P196P196-M198 PolarHBondContact O-N 2.9Å
199S38.8Very low43.2Very low118 Ų118132.5 Ų132.583%0.82578%0.78SS**  trans-56.6147.6170.9-410000112.3
200P38.7Very low41.3Very low118 Ų118133.3 Ų133.377%0.76679%0.789SS**  -138.7173126.215.18.7000114
201P43.6Very low39.6Very low112 Ų112133.9 Ų133.973%0.72779%0.793SS**  trans-98.4162.1-144.837.9-35.2000116.5
202Q37.5Very low38.9Very low175 Ų175132.2 Ų132.282%0.81880%0.795SS**  trans40.6120147.9-62.6-1770.300120
203Q32.4Very low37.9Very low192 Ų192132.2 Ų132.290%0.89780%0.798SS**  163.9133.1111.5-90.6176.6-32.100112.1
204G29.2Very low38.1Very low68 Ų68129 Ų12970%0.70179%0.793SS**  trans96.5114.2136.800000120.4
205S33.1Very low38.1Very low110 Ų110130.1 Ų130.177%0.76980%0.8SS**  trans74.8103.3132.141.50000122.4
206V32.9Very low37.6Very low139 Ų139129.7 Ų129.784%0.84280%0.8SS**  47.8122.8128.7-68.30000122
207S34Very low36.9Very low102 Ų102129.1 Ų129.171%0.71379%0.794SS**  141.2115.9103-156.10000115.1
208R37Very low36.8Very low248 Ų248130.1 Ų130.194%0.93679%0.79SS**  trans44.6134.4135-65.2-179.9164.6-179.3-4.5122.1
209G31Very low36.3Very low82 Ų82127.5 Ų127.585%0.84578%0.784SS**  trans162.3113.1142.200000116.5
210D32.4Very low36Very low157 Ų157126 Ų12684%0.8477%0.774SS**  trans-64.4145.5179.3-100.2-58.1000117.4
211S30Very low35.9Very low102 Ų102127.9 Ų127.971%0.71378%0.775SS**  trans33.2168.6131.5-56.70000123
212P50.5Low35.3Very low113 Ų113127.6 Ų127.673%0.73478%0.776SS**  cis-139.3160.5-39.936.4-17.4000116.3
213S30.9Very low35.1Very low118 Ų118124.6 Ų124.683%0.82577%0.774SS**  trans44.7174.3146.7-35.70000124.1
214P61.2Low35.3Very low115 Ų115124.9 Ų124.975%0.74777%0.773SS**  -114-175.1-12535.4-11.1000114.2
215P45.4Very low36.1Very low130 Ų130127.6 Ų127.684%0.84478%0.778SS**  -158.3-176.691.939.5-16.4000116.8
216S33.7Very low35.9Very low105 Ų105125.7 Ų125.773%0.73478%0.775SS**  trans-71.9175-167.9-44.90000119.3
217T30.8Very low36Very low117 Ų117129.3 Ų129.372%0.71878%0.78SS**  trans83.7117.4147.429.10000121
218N30.3Very low35.8Very low140 Ų140128.6 Ų128.675%0.74978%0.781SS**  156.8119.5112-85.8-33.3000113.9
219T30Very low35.8Very low117 Ų117125.4 Ų125.472%0.71878%0.776SS**  83.3129.4108.9-330000113.2
220S30.8Very low36.7Very low87 Ų87130.4 Ų130.461%0.60877%0.774SS**  171.3147.67367.40000112.7
221I36.3Very low37.5Very low157 Ų157127.6 Ų127.681%0.80577%0.765SS**  trans49.1143.8136.875.5-168.3000120.3
222S31.8Very low38Very low105 Ų105129.6 Ų129.673%0.73477%0.767SS**  cis-176.616043-175.10000112.3
223S33.2Very low37.8Very low113 Ų113127.6 Ų127.679%0.7977%0.767SS**  trans85.3123.6149.469.10000122.3
224K36Very low38.3Very low198 Ų198129.6 Ų129.686%0.86177%0.767SS**  trans-85.5173.9161.4-126.9165177.6166.30108.6
225P46.4Very low37.6Very low124 Ų124129.4 Ų129.481%0.80576%0.764SS**  cis-143.5163.54.537.6-17.2000117.2
226G30.2Very low37.5Very low70 Ų70127.9 Ų127.972%0.72276%0.763SS**  trans152.3101.9156.700000114
227F33.6Very low38Very low216 Ų216130.4 Ų130.495%0.94777%0.767SS**  trans31.7123.1162.3-87.9-101.6000118.7
228A30.3Very low38.5Very low87 Ų87133.3 Ų133.372%0.71978%0.777SS**  -169.1158.564.600000114.9
229H36.2Very low39.2Very low181 Ų181133.9 Ų133.984%0.83878%0.78SS**  trans65.6115152.6-107.8-90.2000122.8
230K50.6Low39.7Very low187 Ų187137 Ų13781%0.81379%0.789SS**  trans-66.7-163.9156.6-45.9169.6175.2178.90110.2
231P49.3Very low40.1Very low97 Ų97138.4 Ų138.463%0.6379%0.79SS**  cis-121.1166.8-48.319.60.7000108.2
232N41.4Very low40.4Very low145 Ų145139.1 Ų139.178%0.77579%0.787SS**  trans169.979.5133.7-83.4-4000107.3L234N232-L234 PolarHBondContact O-N 2.91Å
233G45.6Very low40.8Very low70 Ų70139.9 Ų139.972%0.72279%0.787SS**  trans-66.2110.9143.400000107.2
234L41.3Very low41.1Very low160 Ų160137.7 Ų137.784%0.83878%0.782SS**  trans-80102.2147.9-75.4162000103.8N232N232-L234 PolarHBondContact O-N 2.91Å
235V46.8Very low41.5Very low112 Ų112137.1 Ų137.168%0.67978%0.782SS**  36.595.378.8-171.70000111.2L237V235-L237 HydrophobicContact CG1-CG 4.35Å
236A43.2Very low41.6Very low98 Ų98136.7 Ų136.781%0.8178%0.779SS**  trans-70.1115.9159.300000108.9
237L44.8Very low42Very low157 Ų157137 Ų13782%0.82278%0.782SS**  trans-145.686.7156-84.1179.2000108.3V235V235-L237 HydrophobicContact CG1-CG 4.35Å
238L40.1Very low42.5Very low178 Ų178132.8 Ų132.893%0.93276%0.76SS**  trans-125.8106150.2-73.1172.8000105.6
239D45.2Very low43Very low152 Ų152132 Ų13281%0.81375%0.753SS**  trans-158.8114.5131.9-163.820.1000107.7
240M41.4Very low43Very low183 Ų183125.9 Ų125.990%0.90174%0.74SS**  trans169.994.6148.1-75.9-12977.900108.5
241D38.7Very low42.3Very low117 Ų117126.8 Ų126.863%0.62674%0.744SS**  trans-112.3134.6151.3-169.7-124.5000104.5
242K42.6Very low41.8Very low171 Ų171128 Ų12874%0.74375%0.745SS**  -176134.278.7-135.8129.6-163.8-79.20112.2
243V41Very low41.7Very low122 Ų122127.1 Ų127.174%0.73975%0.746SS**  62.9112124174.90000121.3
244G39.6Very low41.4Very low66 Ų66130.3 Ų130.368%0.6875%0.746SS**  78.7110.79900000121.7
245H44.2Very low42Very low186 Ų186129.2 Ų129.286%0.86174%0.741SS**  trans-25.7164158.6-57.7-70.5000118.6
246P47.7Very low41.8Very low115 Ų115134.9 Ų134.975%0.74775%0.75SS**  cis-156.9-174.348.537.3-10.4000119.4
247G39.3Very low42Very low77 Ų77135.5 Ų135.579%0.79475%0.746SS**  trans-71.1-163-171.300000119.1
248R44.5Very low41.8Very low127 Ų127133.6 Ų133.648%0.47974%0.744SS.*  cis-171.715913.5-170.6-168.5171.8-98.5-39110.4V352 G353 M354 G355R248-V352 PolarHBondContact NH1-O 3.46Å; R248-G353 PolarHBondContact NH1-O 3.48Å; R248-M354 VanDerWaalsContact CZ-C 3.44Å; R248-M354 PolarHBondContact NE-O 3.1Å; R248-G355 VanDerWaalsContact CZ-N 3.29Å
249A39.1Very low41.9Very low70 Ų70131.5 Ų131.558%0.57973%0.734SS**  trans77.9141.9155.200000119.8
250G37.7Very low41.8Very low54 Ų54131.1 Ų131.156%0.55773%0.73SS**  cis176.4153.82.600000107.1
251F35.2Very low42.2Very low205 Ų205133.1 Ų133.190%0.89973%0.728SS**  171.5139.395-120.2-105.8000112.9
252D39.4Very low42.7Very low123 Ų123132.6 Ų132.666%0.65873%0.734SS**  trans41.6133.6140.6-130.5-89.8000125.8
253T38.2Very low43Very low127 Ų127131.5 Ų131.578%0.77974%0.735SS**  -168.7128.6119.729.90000113.7
254D40.5Very low43.5Very low136 Ų136131.7 Ų131.773%0.72774%0.737SS**  trans46.1111139.6-100.1-104.6000124.1
255D52Low43.9Very low137 Ų137136.9 Ų136.973%0.73374%0.741SS**  62.2104.4107.9-137.1-65.1000122.6
256R43.2Very low43.9Very low232 Ų232134 Ų13488%0.87574%0.738SS**  -164.9150.6129.9-136.7115.3-179.3-128.9-8.5113.4
257P48.5Very low43.7Very low110 Ų110138 Ų13871%0.71474%0.744SS**  trans-90.2132-160.235.7-33.3000113.3
258C40.3Very low44Very low117 Ų117142.6 Ų142.679%0.79175%0.749SS**  trans-9892.5166.5-63.40000109.2I260C258-I260 PolarHBondContact O-N 3.23Å
259N42.1Very low43.5Very low135 Ų135141.9 Ų141.972%0.72276%0.764SS**  trans-68.992.3169.5179.89.2000110.1R261N259-R261 PolarHBondContact OD1-N 3.46Å
260I42.8Very low43.2Very low143 Ų143146.2 Ų146.273%0.73378%0.778SS**  trans-94.711.2172.141.3167.6000113.5C258 S262C258-I260 PolarHBondContact O-N 3.23Å; I260-S262 VanDerWaalsContact C-N 3.31Å; I260-S262 PolarHBondContact O-N 3.33Å; I260-S262 VanDerWaalsContact O-N 3.07Å
261R50Low43.4Very low225 Ų225149.2 Ų149.285%0.84979%0.79SS**THydrogen-bonded Turntrans-82.978.3166.6-83.9-172.2176.7141.3-0109.8N259N259-R261 PolarHBondContact OD1-N 3.46Å
262S50.1Low43.2Very low107 Ų107143.1 Ų143.175%0.74879%0.785SS**THydrogen-bonded Turntrans-175.723.2152.4-78.70000113.7I260 T264I260-S262 VanDerWaalsContact C-N 3.31Å; I260-S262 PolarHBondContact O-N 3.33Å; I260-S262 VanDerWaalsContact O-N 3.07Å; S262-T264 PolarHBondContact O-N 2.91Å
263L47.1Very low42.9Very low147 Ų147146.4 Ų146.477%0.7780%0.796SS**  trans-83.474166.8-62.8-174000109.6
264T51.3Low43.9Very low127 Ų127145 Ų14578%0.77979%0.79SS**  trans-83.9112.8166.4-550000107.9S262S262-T264 PolarHBondContact O-N 2.91Å
265F49.1Very low43.4Very low175 Ų175147.3 Ų147.377%0.76880%0.796SS**PPolyproline II helixtrans-71.7130.6171.5-66.2-84.9000110.3K267F265-K267 PolarHBondContact O-N 3.48Å
266P44.3Very low42.6Very low124 Ų124145.6 Ų145.681%0.80580%0.795SS**PPolyproline II helixtrans-64122.2172.7-22.534.1000111.2
267K43.5Very low42.1Very low201 Ų201140 Ų14087%0.87479%0.786SS**PPolyproline II helixtrans-70.3127.8171.6-74.9-175.1175.5175.60109.4F265 S269F265-K267 PolarHBondContact O-N 3.48Å; K267-S269 PolarHBondContact O-N 3.39Å
268L45.7Very low41.2Very low172 Ų172143.4 Ų143.490%0.90179%0.79SS**  trans-71.9109.3167.5-63.3175.2000108.9
269S33.7Very low40.5Very low112 Ų112148.7 Ų148.778%0.78379%0.794SS**  trans-152.7107.5157.7-69.90000109.1K267K267-S269 PolarHBondContact O-N 3.39Å
270D33.6Very low40.1Very low162 Ų162147 Ų14787%0.86679%0.794SS**  trans35.8134.8132.9-157.724.2000122.5
271S40.3Very low40.1Very low116 Ų116145.4 Ų145.481%0.81179%0.792SS**  trans85.1117.3156.1-153.60000120.8
272G32.6Very low39.5Very low77 Ų77140.1 Ų140.179%0.79479%0.785SS**  trans138.8106.2153.400000116.7
273E32.9Very low39Very low192 Ų192141.2 Ų141.290%0.89779%0.79SS**  trans-64.8-179.4175.3-118-159.6115.800115.5
274P58.1Low38.7Very low99 Ų99139.4 Ų139.464%0.64378%0.784SS**  trans-118.4170.2-136.338.4-19.1000115.2
275E29.6Very low37.9Very low183 Ų183139.5 Ų139.586%0.85579%0.787SS**  trans-176.9114.6152.9-105.6172.3177.600109.5
276S36Very low37.2Very low101 Ų101136.4 Ų136.471%0.70679%0.787SS**  84.5140.783.788.50000115.5
277V31.9Very low37Very low116 Ų116136.5 Ų136.570%0.70379%0.788SS**  trans118.2102.1154.6-1730000119.7
278K29.6Very low36.5Very low180 Ų180139.3 Ų139.378%0.78379%0.793SS**  trans68.5116.3130.7-63.8175.8-169.2172.80124.9
279Y27.4Very low35.9Very low228 Ų228141.2 Ų141.289%0.89479%0.788SS**  31.5141.2117.3-75.1-82.1000119.4
280S32.1Very low35.6Very low101 Ų101143 Ų14371%0.70679%0.789SS**  cis-177-157.312.5-165.60000108.3
281P43.6Very low35.7Very low108 Ų108142.4 Ų142.470%0.70179%0.785SS**  -122.7163-92.138.8-21.1000118
282V36.3Very low35.2Very low114 Ų114142.8 Ų142.869%0.69179%0.787SS**  trans17.3153.2146.2-150.20000122.3V284V282-V284 HydrophobicContact CG1-CG2 3.81Å
283P40.2Very low35Very low131 Ų131146.6 Ų146.685%0.85179%0.79SS**  -142.1151.993.530.4-10.3000117.5
284V40.2Very low34.9Very low108 Ų108143.5 Ų143.566%0.65579%0.789SS**  trans-85.2161.5176.9175.20000111.6V282V282-V284 HydrophobicContact CG1-CG2 3.81Å
285P34.4Very low33.8Very low129 Ų129144.5 Ų144.584%0.83880%0.799SS**  trans-128.1145.9138.534-21000114
286S35.2Very low34.8Very low110 Ų110141.2 Ų141.277%0.76979%0.793SS**  trans-104.9167.6-178.9-77.10000112.4
287P39.5Very low35Very low126 Ų126142.4 Ų142.482%0.81880%0.798SS**  trans-98.4162.2-156.737-31.6000114.8
288R33.8Very low34.8Very low261 Ų261141.6 Ų141.699%0.98580%0.804SS**  trans-118.9138.3170.1-82.8-168.2164.9-150.8-2.4112.7
289R32.4Very low35.1Very low211 Ų211140.8 Ų140.880%0.79681%0.807SS**  trans-112.6142175.9-179.1-177.2175.2165.90.3108.1
290N28.8Very low35.7Very low150 Ų150136.2 Ų136.280%0.80281%0.805SS**  171.1148.5129.5-84.1-36.4000113.7
291L34.8Very low35.6Very low150 Ų150140.3 Ų140.379%0.78581%0.81SS**  trans-81.2158.3-170.7-65.4118.2000114.9
292S29.6Very low35Very low123 Ų123140.5 Ų140.586%0.8681%0.81SS**  trans-161.4144.6135.754.80000112.9
293N29.5Very low34.8Very low158 Ų158144.4 Ų144.485%0.84582%0.82SS**  trans-72.9150.4-179.2-83.9-19.9000114.1
294S30.1Very low34.1Very low126 Ų126143.7 Ų143.788%0.88181%0.813SS**  167157.2124.851.60000112.4
295S35.2Very low33.7Very low121 Ų121145.8 Ų145.885%0.84682%0.819SS**  trans-81.3178.5-161.5-102.80000116.6
296P50.4Low33.4Very low113 Ų113145.9 Ų145.973%0.73482%0.817SS**  trans-100-179.4-146.341.6-37.3000115.3
297P39.6Very low33.1Very low126 Ų126144.7 Ų144.782%0.81881%0.814SS**  -151.9158.6120.835.9-17.1000118.7
298A28.7Very low32.8Very low99 Ų99144.8 Ų144.882%0.81882%0.815SS**  trans84.3120.9136.400000123.9
299L36.3Very low32.5Very low164 Ų164140.8 Ų140.886%0.85981%0.807SS**  trans-53.2164.3158-74.4149.5000113.7
300P38.3Very low32.6Very low131 Ų131136 Ų13685%0.85180%0.804SS**  -135.7167.8109.235.9-23.2000115.5
301K30.7Very low32.5Very low188 Ų188134 Ų13482%0.81780%0.801SS**  trans-106.3139.6-160-157.4168-172.81710110
302T31.3Very low32Very low111 Ų111134.2 Ų134.268%0.68180%0.803SS**  trans31119143.2-420000119.2
303Q31.8Very low32Very low197 Ų197137.3 Ų137.392%0.92180%0.804SS**  trans-139.1121.9140.6-65.7-166.32600111
304V26.5Very low32Very low116 Ų116137.2 Ų137.270%0.70380%0.803SS**  trans-72.6150.1165.7168.30000108.3
305I30Very low32.1Very low152 Ų152141.4 Ų141.478%0.77981%0.806SS**  trans170.1113.7133.8-83.4152000110.8
306V28.4Very low31.8Very low130 Ų130141.6 Ų141.679%0.78881%0.807SS**  52.4128.8129.3-166.70000120.8
307A29.8Very low30.6Very low86 Ų86139.9 Ų139.971%0.71181%0.81SS**  trans-64.1166.617300000114.9
308P33.4Very low30.4Very low128 Ų128140.2 Ų140.283%0.83181%0.81SS**  -140.1152120.930.9-13.7000115.7
309E27.8Very low30.8Very low177 Ų177141.3 Ų141.383%0.82781%0.808SS**  trans-60.4152.6169.3-167.4-165.5155.500113.5
310P33.7Very low30.5Very low111 Ų111142.8 Ų142.872%0.72181%0.808SS**  trans-106.2137.4162.934.4-27.8000114.3
311S26.7Very low30.6Very low108 Ų108142 Ų14276%0.75580%0.802SS**  trans-71.6140.9177.958.30000114.7
312N24.8Very low30.4Very low154 Ų154138 Ų13882%0.82481%0.805SS**  trans-84.1144.4173.6-75.5-66.5000113.3
313H29.8Very low30.4Very low188 Ų188140.4 Ų140.487%0.8781%0.813SS**  trans-113.8126.2164.2-91.9-68.7000111.2
314N28.1Very low30.6Very low155 Ų155136.5 Ų136.583%0.82981%0.805SS**  trans-75.8149.6174.9-74-29.7000112.9
315K33.2Very low31.2Very low215 Ų215134.4 Ų134.494%0.93581%0.807SS**  trans-160.7133.8134.8-105.3169.8-171.1-173.80111.1
316S27.7Very low31.4Very low125 Ų125133.8 Ų133.887%0.87481%0.81SS**  trans-91.5161-171.561.70000113.7
317G26.6Very low31.7Very low77 Ų77131 Ų13179%0.79481%0.809SS**  trans-178.4109.3161.800000111.5
318T34.6Very low32Very low133 Ų133132 Ų13282%0.81681%0.811SS**  trans-115.2154.9169.7-13.60000107.7
319P36.4Very low32.2Very low121 Ų121132 Ų13279%0.78681%0.808SS**  -148.4144.564.533.4-10.6000118.5
320K30.3Very low33Very low196 Ų196127.3 Ų127.385%0.85281%0.808SS**  trans41.2160.6135.5-109.4-175.6173172.90123
321P40.9Very low33.3Very low113 Ų113128.6 Ų128.673%0.73481%0.808SS**  -127.5153.5-5527.8-7.9000113.8
322A26.2Very low34.3Very low106 Ų106129.5 Ų129.588%0.87681%0.811SS**  trans-156.4148.6157.200000111.7
323N32.6Very low35.3Very low160 Ų160126 Ų12686%0.85680%0.798SS**  trans-52.2166.4-170.2-104.5-38.4000117.8G325N323-G325 PolarHBondContact O-N 3.02Å
324P35.6Very low36.2Very low115 Ų115119.9 Ų119.975%0.74779%0.785SS**  trans-80.5118.5-159.533.1-34000112
325G37.8Very low37.4Very low72 Ų72115.2 Ų115.274%0.74277%0.774SS**  trans-114.1121156.500000107.8N323N323-G325 PolarHBondContact O-N 3.02Å
326T34.7Very low38.3Very low139 Ų139107 Ų10785%0.85375%0.746SS**  trans-128.6104.8165.9-54.80000107.4
327G36.1Very low39.5Very low73 Ų73103.5 Ų103.575%0.75372%0.717SS**  trans-74.5156.8167.800000111.1
328S34.3Very low41Very low107 Ų107106.6 Ų106.675%0.74872%0.715SS**  trans-140.9103.3151.9-158.50000108.8
329T38.6Very low42.1Very low126 Ų126104.9 Ų104.977%0.77371%0.708SS**  trans4691.8136.154.80000118.3
330G44.2Very low43.6Very low80 Ų80100.1 Ų100.183%0.82568%0.676SS**  54.383.6126.500000118.6
331L41.4Very low45.8Very low138 Ų13893.4 Ų93.472%0.72365%0.651SS**  trans-92.2135.6158.7-73.8168.8000110.1C333 L337L331-C333 PolarHBondContact O-N 3.47Å; L331-L337 HydrophobicContact CD1-CD1 4.43Å
332P47.7Very low47.6Very low126 Ų12692.8 Ų92.882%0.81865%0.647SS**SBendtrans-84.163.3173.637-32.4000108.8
333C45.6Very low50.1Low81 Ų8191.2 Ų91.255%0.54763%0.63SS.*  trans-170.757.5164.6-107.60000110.2L331 G335L331-C333 PolarHBondContact O-N 3.47Å; C333-G335 PolarHBondContact O-N 2.89Å
334G47.4Very low52.2Low59 Ų5985.5 Ų85.561%0.60860%0.598SS**THydrogen-bonded Turntrans-62.5-8.7177.200000114.7L338G334-L338 WeakPolarHBondContact O-CD1 3.49Å
335G52.8Low54.5Low57 Ų5784.6 Ų84.659%0.58858%0.58SS**THydrogen-bonded Turntrans-93.5-45.6-177.400000115.2C333C333-G335 PolarHBondContact O-N 2.89Å
336A53.4Low56.6Low42 Ų4287.4 Ų87.435%0.34757%0.573SS.*THydrogen-bonded Turntrans-77.4-30.8-167.200000113.6S339 M340A336-S339 PolarHBondContact O-OG 3.25Å; A336-M340 WeakPolarHBondContact O-CG 3.17Å
337L53.5Low58.6Low52 Ų5281.4 Ų81.427%0.27254%0.537SS..THydrogen-bonded Turntrans-74.7-26.9178.1-88.3174.7000113.7L331 M340 R345 Y358L331-L337 HydrophobicContact CD1-CD1 4.43Å; L337-M340 HydrophobicContact CD2-SD 4.42Å; L337-R345 HydrophobicContact CD2-CG 3.98Å; L337-Y358 WeakPolarHBondContact CD1-OH 3.46Å; L337-Y358 WeakPolarHBondContact CD2-OH 3.38Å; L337-Y358 WeakPolarHBondContact CG-OH 3.42Å
338L56.2Low61Low142 Ų14278 Ų7874%0.74350%0.501SS*.THydrogen-bonded Turntrans-78.7-23178.2-73.6173.4000112.4G334 M340G334-L338 WeakPolarHBondContact O-CD1 3.49Å; L338-M340 VanDerWaalsContact C-N 3.34Å
339S59.6Low63.4Low97 Ų9779.6 Ų79.668%0.67850%0.497SS*.THydrogen-bonded Turntrans-84.8-4174.951.60000114.3A336A336-S339 PolarHBondContact O-OG 3.25Å
340M67.2Low65.6Low22 Ų2277 Ų7711%0.10848%0.481CS..SBendtrans-95.1138.1-178.3-69175.181.200112.2A336 L337 L338 E344 R345 V348 L362 M365A336-M340 WeakPolarHBondContact O-CG 3.17Å; L337-M340 HydrophobicContact CD2-SD 4.42Å; L338-M340 VanDerWaalsContact C-N 3.34Å; M340-E344 VanDerWaalsContact CA-OE2 3.32Å; M340-E344 WeakPolarHBondContact CA-OE2 3.48Å; M340-E344 HydrophobicContact CB-CB 4.08Å; M340-E344 HydrophobicContact CE-CB 3.62Å; M340-R345 HydrophobicContact CB-CG 4.05Å; M340-R345 PolarHBondContact O-NE 2.72Å; M340-R345 PolarHBondContact O-NH2 2.9Å; M340-V348 HydrophobicContact CE-CG2 3.54Å; M340-L362 HydrophobicContact CE-CD2 3.66Å; M340-L362 HydrophobicContact SD-CD2 3.58Å; M340-L362 VanDerWaalsContact SD-CD2 3.58Å; M340-M365 HydrophobicContact CE-CE 3.91Å; M340-M365 HydrophobicContact CE-SD 4.34Å
341T77.1Confident67.5Low54 Ų5473.2 Ų73.233%0.33144%0.442SS..  trans-61.6155.5171.359.70000110.8S343 E344 R345T341-S343 PolarHBondContact O-N 2.93Å; T341-S343 PolarHBondContact OG1-OG 3.16Å; T341-E344 PolarHBondContact N-OE2 3.14Å; T341-E344 PolarHBondContact O-N 3.22Å; T341-E344 VanDerWaalsContact O-N 3.15Å; T341-E344 WeakPolarHBondContact OG1-CB 3.32Å; T341-E344 WeakPolarHBondContact OG1-CG 3.38Å; T341-E344 PolarHBondContact OG1-N 3.01Å; T341-E344 PolarHBondContact OG1-OE2 2.96Å; T341-R345 PolarHBondContact O-N 2.95Å; T341-R345 VanDerWaalsContact O-N 3.11Å
342P77.9Confident69.7Low100 Ų10069.1 Ų69.165%0.64942%0.422SS*.Hα-helixtrans-56.7-35.4178.6-26.135.3000113.5R345 Q346P342-R345 PolarHBondContact O-N 3.16Å; P342-Q346 PolarHBondContact O-N 3.36Å; P342-Q346 VanDerWaalsContact O-N 3.07Å
343S77.6Confident71.5Confident73 Ų7365.4 Ų65.451%0.5141%0.407SS..Hα-helixtrans-67.9-39.4176.548.30000112.6T341 R345 Q346 C347T341-S343 PolarHBondContact O-N 2.93Å; T341-S343 PolarHBondContact OG1-OG 3.16Å; S343-R345 VanDerWaalsContact C-N 3.34Å; S343-Q346 PolarHBondContact O-N 2.99Å; S343-C347 WeakPolarHBondContact O-CB 3.37Å; S343-C347 PolarHBondContact O-N 3.37Å
344E78.1Confident73.2Confident40 Ų4066.7 Ų66.719%0.18741%0.407CS..Hα-helixtrans-64.8-40.1175.7-75.2166.3161.500111.6M340 T341 C347 V348 M365 Q370M340-E344 VanDerWaalsContact CA-OE2 3.32Å; M340-E344 WeakPolarHBondContact CA-OE2 3.48Å; M340-E344 HydrophobicContact CB-CB 4.08Å; M340-E344 HydrophobicContact CE-CB 3.62Å; T341-E344 PolarHBondContact N-OE2 3.14Å; T341-E344 PolarHBondContact O-N 3.22Å; T341-E344 VanDerWaalsContact O-N 3.15Å; T341-E344 WeakPolarHBondContact OG1-CB 3.32Å; T341-E344 WeakPolarHBondContact OG1-CG 3.38Å; T341-E344 PolarHBondContact OG1-N 3.01Å; T341-E344 PolarHBondContact OG1-OE2 2.96Å; E344-C347 WeakPolarHBondContact O-CB 3.32Å; E344-C347 PolarHBondContact O-N 2.92Å; E344-V348 VanDerWaalsContact O-CG2 3.32Å; E344-V348 WeakPolarHBondContact O-CG2 3.43Å; E344-V348 PolarHBondContact O-N 3.39Å; E344-M365 HydrophobicContact CB-CE 3.67Å; E344-M365 HydrophobicContact CG-CE 3.71Å; E344-Q370 HydrophobicContact CG-CG 3.89Å; E344-Q370 PolarHBondContact OE1-NE2 2.92Å
345R83.6Confident74.9Confident97 Ų9765.7 Ų65.737%0.36640%0.396SS..Hα-helixtrans-63.1-44.6174.7-77.3-178.2-94175.5-11.8112L337 M340 T341 P342 S343 C347 V348 E349L337-R345 HydrophobicContact CD2-CG 3.98Å; M340-R345 HydrophobicContact CB-CG 4.05Å; M340-R345 PolarHBondContact O-NE 2.72Å; M340-R345 PolarHBondContact O-NH2 2.9Å; T341-R345 PolarHBondContact O-N 2.95Å; T341-R345 VanDerWaalsContact O-N 3.11Å; P342-R345 PolarHBondContact O-N 3.16Å; S343-R345 VanDerWaalsContact C-N 3.34Å; R345-C347 VanDerWaalsContact C-N 3.3Å; R345-C347 PolarHBondContact O-N 2.64Å; R345-V348 PolarHBondContact O-N 3.12Å; R345-E349 WeakPolarHBondContact O-CB 3.44Å; R345-E349 WeakPolarHBondContact O-CG 3.28Å; R345-E349 PolarHBondContact O-N 3.46Å
346Q81.6Confident76.4Confident130 Ų13065.6 Ų65.661%0.60738%0.378SS*.Hα-helixtrans-62.5-37.5176.3-173.1176.6-4.900112.3P342 S343 T350P342-Q346 PolarHBondContact O-N 3.36Å; P342-Q346 VanDerWaalsContact O-N 3.07Å; S343-Q346 PolarHBondContact O-N 2.99Å; Q346-T350 WeakPolarHBondContact O-CB 3.44Å; Q346-T350 PolarHBondContact O-N 2.87Å; Q346-T350 PolarHBondContact O-OG1 2.85Å
347C77.6Confident77.9Confident13 Ų1366.1 Ų66.19%0.08838%0.38CS..Hα-helixtrans-62.4-48.2173.6175.70000111.6S343 E344 R345 E349 T350 L351 M365 V372S343-C347 WeakPolarHBondContact O-CB 3.37Å; S343-C347 PolarHBondContact O-N 3.37Å; E344-C347 WeakPolarHBondContact O-CB 3.32Å; E344-C347 PolarHBondContact O-N 2.92Å; R345-C347 VanDerWaalsContact C-N 3.3Å; R345-C347 PolarHBondContact O-N 2.64Å; C347-E349 PolarHBondContact O-N 2.71Å; C347-T350 PolarHBondContact O-N 3.01Å; C347-L351 PolarHBondContact O-N 2.9Å; C347-M365 HydrophobicContact CB-CE 4.2Å; C347-M365 HydrophobicContact CB-SD 4.4Å; C347-V372 HydrophobicContact CB-CG2 4.25Å
348V84.7Confident79.4Confident2 Ų267.8 Ų67.81%0.01238%0.383CS..Hα-helixtrans-60.7-46.6177.2179.80000111M340 E344 R345 T350 L351 V352 Y358 V361 L362 M365M340-V348 HydrophobicContact CE-CG2 3.54Å; E344-V348 VanDerWaalsContact O-CG2 3.32Å; E344-V348 WeakPolarHBondContact O-CG2 3.43Å; E344-V348 PolarHBondContact O-N 3.39Å; R345-V348 PolarHBondContact O-N 3.12Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 PolarHBondContact O-N 3.34Å; V348-L351 PolarHBondContact O-N 2.97Å; V348-V352 HydrophobicContact CG1-CG2 4.02Å; V348-V352 VanDerWaalsContact O-CB 3.28Å; V348-V352 WeakPolarHBondContact O-CB 3.46Å; V348-V352 WeakPolarHBondContact O-CG2 3.15Å; V348-V352 PolarHBondContact O-N 2.83Å; V348-Y358 HydrophobicContact CG1-CD2 3.6Å; V348-Y358 HydrophobicContact CG1-CE2 3.25Å; V348-Y358 HydrophobicContact CG1-CG 4.46Å; V348-V361 HydrophobicContact CB-CG1 4.27Å; V348-V361 HydrophobicContact CG1-CG1 4.22Å; V348-V361 HydrophobicContact CG2-CG1 4.02Å; V348-L362 HydrophobicContact CG2-CD2 3.96Å; V348-M365 HydrophobicContact CG2-CE 4.24Å; V348-M365 HydrophobicContact CG2-SD 3.39Å; V348-M365 WeakPolarHBondContact CG2-SD 3.44Å
349E84.9Confident80.7Confident141 Ų14167.1 Ų67.166%0.65938%0.376SS*.Hα-helixtrans-61-39.1178.1-74175.7-179.200112.1R345 C347 G353R345-E349 WeakPolarHBondContact O-CB 3.44Å; R345-E349 WeakPolarHBondContact O-CG 3.28Å; R345-E349 PolarHBondContact O-N 3.46Å; C347-E349 PolarHBondContact O-N 2.71Å; E349-G353 PolarHBondContact O-N 3.49Å
350T84.8Confident81.7Confident70 Ų7067 Ų6743%0.42937%0.365SS..Hα-helixtrans-65.8-49.8177.3-56.90000111.1Q346 C347 V348 V352 G353 M354Q346-T350 WeakPolarHBondContact O-CB 3.44Å; Q346-T350 PolarHBondContact O-N 2.87Å; Q346-T350 PolarHBondContact O-OG1 2.85Å; C347-T350 PolarHBondContact O-N 3.01Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 PolarHBondContact O-N 3.34Å; T350-V352 PolarHBondContact O-N 2.74Å; T350-G353 CarbonylContact O-C 3.54Å; T350-G353 WeakPolarHBondContact O-CA 3.42Å; T350-G353 PolarHBondContact O-N 3.21Å; T350-M354 WeakPolarHBondContact O-CG 3.36Å; T350-M354 PolarHBondContact O-N 3.43Å
351L84.6Confident82.5Confident2 Ų266 Ų661%0.0136%0.36CS..Hα-helixtrans-66.4-37180-72.7166.5000111.9C347 V348 G353 M354 G355 Y356 V361 V375C347-L351 PolarHBondContact O-N 2.9Å; V348-L351 PolarHBondContact O-N 2.97Å; L351-G353 VanDerWaalsContact C-N 3.34Å; L351-M354 HydrophobicContact CD2-SD 4.47Å; L351-M354 CarbonylContact O-C 3.53Å; L351-M354 WeakPolarHBondContact O-CB 3.26Å; L351-M354 PolarHBondContact O-N 3.48Å; L351-M354 VanDerWaalsContact O-N 3.17Å; L351-G355 PolarHBondContact O-N 2.89Å; L351-Y356 HydrophobicContact CB-CD2 4.2Å; L351-Y356 HydrophobicContact CD2-CD2 3.95Å; L351-Y356 HydrophobicContact CD2-CE2 4.15Å; L351-Y356 VanDerWaalsContact O-CD2 3.29Å; L351-Y356 WeakPolarHBondContact O-CD2 3.43Å; L351-Y356 PolarHBondContact O-N 2.95Å; L351-Y356 VanDerWaalsContact O-N 3.12Å; L351-V361 HydrophobicContact CB-CB 4.47Å; L351-V361 HydrophobicContact CB-CG1 3.94Å; L351-V361 HydrophobicContact CB-CG2 3.63Å; L351-V361 HydrophobicContact CD1-CG1 3.52Å; L351-V361 HydrophobicContact CD1-CG2 4.3Å; L351-V361 HydrophobicContact CG-CG1 4.38Å; L351-V375 HydrophobicContact CD1-CG1 4.06Å
352V87.3Confident82.7Confident51 Ų5165.6 Ų65.631%0.30936%0.355SS..Hα-helixtrans-69.7-34.9174.21740000111.1R248 V348 T350 M354 G355 Y356 Y358 V361R248-V352 PolarHBondContact NH1-O 3.46Å; V348-V352 HydrophobicContact CG1-CG2 4.02Å; V348-V352 VanDerWaalsContact O-CB 3.28Å; V348-V352 WeakPolarHBondContact O-CB 3.46Å; V348-V352 WeakPolarHBondContact O-CG2 3.15Å; V348-V352 PolarHBondContact O-N 2.83Å; T350-V352 PolarHBondContact O-N 2.74Å; V352-M354 VanDerWaalsContact C-N 3.27Å; V352-M354 PolarHBondContact O-N 3.26Å; V352-G355 WeakPolarHBondContact O-CA 3.19Å; V352-G355 PolarHBondContact O-N 3.26Å; V352-G355 VanDerWaalsContact O-N 3.08Å; V352-Y356 WeakPolarHBondContact CA-O 3.41Å; V352-Y358 HydrophobicContact CG2-CD2 3.93Å; V352-V361 HydrophobicContact CG2-CG2 4.39Å
353G85Confident82.8Confident49 Ų4967.5 Ų67.551%0.50535%0.349SS..Hα-helixtrans-62.8-29.2169.200000113.7R248 E349 T350 L351R248-G353 PolarHBondContact NH1-O 3.48Å; E349-G353 PolarHBondContact O-N 3.49Å; T350-G353 CarbonylContact O-C 3.54Å; T350-G353 WeakPolarHBondContact O-CA 3.42Å; T350-G353 PolarHBondContact O-N 3.21Å; L351-G353 VanDerWaalsContact C-N 3.34Å
354M83.2Confident82.7Confident108 Ų10865 Ų6553%0.53233%0.333SS..Hα-helixtrans-82.3-19.7171-66.9177.170.300113.4R248 T350 L351 V352 Y356R248-M354 VanDerWaalsContact CZ-C 3.44Å; R248-M354 PolarHBondContact NE-O 3.1Å; T350-M354 WeakPolarHBondContact O-CG 3.36Å; T350-M354 PolarHBondContact O-N 3.43Å; L351-M354 HydrophobicContact CD2-SD 4.47Å; L351-M354 CarbonylContact O-C 3.53Å; L351-M354 WeakPolarHBondContact O-CB 3.26Å; L351-M354 PolarHBondContact O-N 3.48Å; L351-M354 VanDerWaalsContact O-N 3.17Å; V352-M354 VanDerWaalsContact C-N 3.27Å; V352-M354 PolarHBondContact O-N 3.26Å; M354-Y356 HydrophobicContact CB-CD2 4.16Å; M354-Y356 HydrophobicContact CB-CE2 4.11Å
355G82.4Confident82.5Confident37 Ų3764 Ų6438%0.38133%0.329SS..THydrogen-bonded Turntrans114.311.5167.200000118.6R248 L351 V352R248-G355 VanDerWaalsContact CZ-N 3.29Å; L351-G355 PolarHBondContact O-N 2.89Å; V352-G355 WeakPolarHBondContact O-CA 3.19Å; V352-G355 PolarHBondContact O-N 3.26Å; V352-G355 VanDerWaalsContact O-N 3.08Å
356Y83.7Confident82Confident56 Ų5667.5 Ų67.522%0.2235%0.349CS..  trans-71144.2168.2-60.4-77.9000109.6L351 V352 M354 V361 N379L351-Y356 HydrophobicContact CB-CD2 4.2Å; L351-Y356 HydrophobicContact CD2-CD2 3.95Å; L351-Y356 HydrophobicContact CD2-CE2 4.15Å; L351-Y356 VanDerWaalsContact O-CD2 3.29Å; L351-Y356 WeakPolarHBondContact O-CD2 3.43Å; L351-Y356 PolarHBondContact O-N 2.95Å; L351-Y356 VanDerWaalsContact O-N 3.12Å; V352-Y356 WeakPolarHBondContact CA-O 3.41Å; M354-Y356 HydrophobicContact CB-CD2 4.16Å; M354-Y356 HydrophobicContact CB-CE2 4.11Å; Y356-V361 VanDerWaalsContact CB-CG2 3.42Å; Y356-V361 HydrophobicContact CG-CG2 4.43Å; Y356-N379 HydrophobicContact CE1-CB 4.02Å
357S84.9Confident81.3Confident53 Ų5371.4 Ų71.437%0.37136%0.358SS..  trans-68.2145.7176.272.30000109.9E359 E360 V361S357-E359 PolarHBondContact O-N 3.33Å; S357-E359 VanDerWaalsContact O-N 3.14Å; S357-E360 WeakPolarHBondContact CB-OE2 3.23Å; S357-E360 PolarHBondContact N-OE2 2.99Å; S357-E360 PolarHBondContact O-N 2.86Å; S357-E360 VanDerWaalsContact O-N 3.13Å; S357-E360 WeakPolarHBondContact OG-CB 3.24Å; S357-E360 WeakPolarHBondContact OG-CG 3.37Å; S357-E360 PolarHBondContact OG-N 2.93Å; S357-E360 PolarHBondContact OG-OE2 2.85Å; S357-V361 WeakPolarHBondContact O-CG2 3.45Å; S357-V361 PolarHBondContact O-N 3.4Å; S357-V361 VanDerWaalsContact O-N 3.11Å
358Y85.1Confident80.4Confident87 Ų8775 Ų7534%0.34137%0.374SS..Hα-helixtrans-56-34.2-179.1-167.3-92.6000112L337 V348 V352 L362L337-Y358 WeakPolarHBondContact CD1-OH 3.46Å; L337-Y358 WeakPolarHBondContact CD2-OH 3.38Å; L337-Y358 WeakPolarHBondContact CG-OH 3.42Å; V348-Y358 HydrophobicContact CG1-CD2 3.6Å; V348-Y358 HydrophobicContact CG1-CE2 3.25Å; V348-Y358 HydrophobicContact CG1-CG 4.46Å; V352-Y358 HydrophobicContact CG2-CD2 3.93Å; Y358-L362 HydrophobicContact CD1-CD1 3.67Å; Y358-L362 HydrophobicContact CD1-CG 4.28Å; Y358-L362 HydrophobicContact CE1-CD1 3.25Å; Y358-L362 HydrophobicContact CE1-CG 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.43Å; Y358-L362 VanDerWaalsContact O-CG 3.29Å; Y358-L362 WeakPolarHBondContact O-CG 3.04Å; Y358-L362 PolarHBondContact O-N 3.4Å; Y358-L362 VanDerWaalsContact O-N 3.16Å
359E84.3Confident79.4Confident128 Ų12876.9 Ų76.960%0.59839%0.394SS*.Hα-helixtrans-72.9-39.7178.7-165.7-178.5163.700113.2S357 R363S357-E359 PolarHBondContact O-N 3.33Å; S357-E359 VanDerWaalsContact O-N 3.14Å; E359-R363 VanDerWaalsContact O-CB 3.24Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 2.85Å; E359-R363 IonicContact OE1-CZ 3.93Å; E359-R363 IonicContact OE1-NH2 2.74Å; E359-R363 PolarHBondContact OE1-NH2 3.06Å
360E80.4Confident78.1Confident95 Ų9576.1 Ų76.144%0.44439%0.39SS..Hα-helixtrans-66.7-41.3177.5-73.8162.7155.100111.6S357 R363 A364S357-E360 WeakPolarHBondContact CB-OE2 3.23Å; S357-E360 PolarHBondContact N-OE2 2.99Å; S357-E360 PolarHBondContact O-N 2.86Å; S357-E360 VanDerWaalsContact O-N 3.13Å; S357-E360 WeakPolarHBondContact OG-CB 3.24Å; S357-E360 WeakPolarHBondContact OG-CG 3.37Å; S357-E360 PolarHBondContact OG-N 2.93Å; S357-E360 PolarHBondContact OG-OE2 2.85Å; E360-R363 PolarHBondContact O-N 3.03Å; E360-A364 VanDerWaalsContact O-CB 3.31Å; E360-A364 WeakPolarHBondContact O-CB 3.08Å; E360-A364 PolarHBondContact O-N 2.99Å
361V83.6Confident76.8Confident1 Ų176.3 Ų76.31%0.00639%0.388CS..Hα-helixtrans-65-47178.3178.60000110.8V348 L351 V352 Y356 S357 R363 A364 M365V348-V361 HydrophobicContact CB-CG1 4.27Å; V348-V361 HydrophobicContact CG1-CG1 4.22Å; V348-V361 HydrophobicContact CG2-CG1 4.02Å; L351-V361 HydrophobicContact CB-CB 4.47Å; L351-V361 HydrophobicContact CB-CG1 3.94Å; L351-V361 HydrophobicContact CB-CG2 3.63Å; L351-V361 HydrophobicContact CD1-CG1 3.52Å; L351-V361 HydrophobicContact CD1-CG2 4.3Å; L351-V361 HydrophobicContact CG-CG1 4.38Å; V352-V361 HydrophobicContact CG2-CG2 4.39Å; Y356-V361 VanDerWaalsContact CB-CG2 3.42Å; Y356-V361 HydrophobicContact CG-CG2 4.43Å; S357-V361 WeakPolarHBondContact O-CG2 3.45Å; S357-V361 PolarHBondContact O-N 3.4Å; S357-V361 VanDerWaalsContact O-N 3.11Å; V361-R363 VanDerWaalsContact C-N 3.31Å; V361-R363 PolarHBondContact O-N 2.77Å; V361-A364 PolarHBondContact O-N 2.95Å; V361-M365 HydrophobicContact CG1-CG 4.32Å; V361-M365 HydrophobicContact CG1-SD 3.9Å; V361-M365 WeakPolarHBondContact O-CB 3.26Å; V361-M365 VanDerWaalsContact O-CG 3.27Å; V361-M365 WeakPolarHBondContact O-CG 3.41Å; V361-M365 PolarHBondContact O-N 3.34Å
362L82Confident75.5Confident44 Ų4479.3 Ų79.323%0.2341%0.407CS..Hα-helixtrans-61.2-41176.1-75.8-178.9000112.1M340 V348 Y358 M365 Q366M340-L362 HydrophobicContact CE-CD2 3.66Å; M340-L362 HydrophobicContact SD-CD2 3.58Å; M340-L362 VanDerWaalsContact SD-CD2 3.58Å; V348-L362 HydrophobicContact CG2-CD2 3.96Å; Y358-L362 HydrophobicContact CD1-CD1 3.67Å; Y358-L362 HydrophobicContact CD1-CG 4.28Å; Y358-L362 HydrophobicContact CE1-CD1 3.25Å; Y358-L362 HydrophobicContact CE1-CG 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.43Å; Y358-L362 VanDerWaalsContact O-CG 3.29Å; Y358-L362 WeakPolarHBondContact O-CG 3.04Å; Y358-L362 PolarHBondContact O-N 3.4Å; Y358-L362 VanDerWaalsContact O-N 3.16Å; L362-M365 PolarHBondContact O-N 3.46Å; L362-Q366 VanDerWaalsContact O-CB 3.28Å; L362-Q366 WeakPolarHBondContact O-CB 2.97Å; L362-Q366 PolarHBondContact O-N 3.11Å
363R79.1Confident74Confident140 Ų14083 Ų8353%0.52842%0.421SS..Hα-helixtrans-67.2-37.5178.6-167.7-175.7-60.9165.90.8112.1E359 E360 V361 R367E359-R363 VanDerWaalsContact O-CB 3.24Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 2.85Å; E359-R363 IonicContact OE1-CZ 3.93Å; E359-R363 IonicContact OE1-NH2 2.74Å; E359-R363 PolarHBondContact OE1-NH2 3.06Å; E360-R363 PolarHBondContact O-N 3.03Å; V361-R363 VanDerWaalsContact C-N 3.31Å; V361-R363 PolarHBondContact O-N 2.77Å; R363-R367 WeakPolarHBondContact O-CG 3.2Å; R363-R367 PolarHBondContact O-N 3.24Å
364A76.6Confident72.6Confident21 Ų2185.3 Ų85.317%0.17442%0.418CS..Hα-helixtrans-71.8-41.7176.600000111.8E360 V361 Q366 R367 Q368 V375E360-A364 VanDerWaalsContact O-CB 3.31Å; E360-A364 WeakPolarHBondContact O-CB 3.08Å; E360-A364 PolarHBondContact O-N 2.99Å; V361-A364 PolarHBondContact O-N 2.95Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 3.43Å; A364-R367 PolarHBondContact O-N 2.99Å; A364-R367 VanDerWaalsContact O-N 3.14Å; A364-Q368 PolarHBondContact O-N 2.95Å; A364-V375 HydrophobicContact CB-CG1 3.56Å; A364-V375 HydrophobicContact CB-CG2 4.31Å
365M73.7Confident71.4Confident20 Ų2080.4 Ų80.410%0.09940%0.395CS..Hα-helixtrans-63.2-37.3174.6-73.4-178.468.600112.4M340 E344 C347 V348 V361 L362 R367 G369M340-M365 HydrophobicContact CE-CE 3.91Å; M340-M365 HydrophobicContact CE-SD 4.34Å; E344-M365 HydrophobicContact CB-CE 3.67Å; E344-M365 HydrophobicContact CG-CE 3.71Å; C347-M365 HydrophobicContact CB-CE 4.2Å; C347-M365 HydrophobicContact CB-SD 4.4Å; V348-M365 HydrophobicContact CG2-CE 4.24Å; V348-M365 HydrophobicContact CG2-SD 3.39Å; V348-M365 WeakPolarHBondContact CG2-SD 3.44Å; V361-M365 HydrophobicContact CG1-CG 4.32Å; V361-M365 HydrophobicContact CG1-SD 3.9Å; V361-M365 WeakPolarHBondContact O-CB 3.26Å; V361-M365 VanDerWaalsContact O-CG 3.27Å; V361-M365 WeakPolarHBondContact O-CG 3.41Å; V361-M365 PolarHBondContact O-N 3.34Å; L362-M365 PolarHBondContact O-N 3.46Å; M365-R367 VanDerWaalsContact C-N 3.28Å; M365-R367 PolarHBondContact O-N 2.99Å; M365-G369 WeakPolarHBondContact O-CA 3.5Å; M365-G369 PolarHBondContact O-N 3.02Å
366Q73.1Confident70.2Confident169 Ų16979.9 Ų79.979%0.7939%0.385SS*.Hα-helixtrans-68.1-25.9175.8-170.163.851.900113L362 A364L362-Q366 VanDerWaalsContact O-CB 3.28Å; L362-Q366 WeakPolarHBondContact O-CB 2.97Å; L362-Q366 PolarHBondContact O-N 3.11Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 3.43Å
367R66.4Low69Low212 Ų21284.9 Ų84.980%0.841%0.405SS*.Hα-helixtrans-89.2-36.2-179.7-79.7-169.3166.2-124.9-3114R363 A364 M365R363-R367 WeakPolarHBondContact O-CG 3.2Å; R363-R367 PolarHBondContact O-N 3.24Å; A364-R367 PolarHBondContact O-N 2.99Å; A364-R367 VanDerWaalsContact O-N 3.14Å; M365-R367 VanDerWaalsContact C-N 3.28Å; M365-R367 PolarHBondContact O-N 2.99Å
368Q59.4Low67.6Low90 Ų9087.4 Ų87.442%0.42141%0.41SS..Hα-helixtrans-113.3-18.1-168.7-153.966.720.400114A364 Q374 V375A364-Q368 PolarHBondContact O-N 2.95Å; Q368-Q374 HydrophobicContact CG-CB 4.06Å; Q368-V375 HydrophobicContact CB-CG2 4.38Å
369G63.1Low66.2Low41 Ų4184.9 Ų84.942%0.42340%0.403SS..  trans70.712317900000113.6M365 N371M365-G369 WeakPolarHBondContact O-CA 3.5Å; M365-G369 PolarHBondContact O-N 3.02Å; G369-N371 PolarHBondContact O-N 2.96Å
370Q57Low64.9Low125 Ų12583.2 Ų83.258%0.58440%0.397SS*.SBendtrans38.6-3.4160.8-83.7165.62.700123.1E344E344-Q370 HydrophobicContact CG-CG 3.89Å; E344-Q370 PolarHBondContact OE1-NE2 2.92Å
371N57.6Low63.5Low73 Ų7384.9 Ų84.939%0.3941%0.405SS..  trans-103.7111.2-179.5-165.8-79000111.4G369 E373 Q374 V375G369-N371 PolarHBondContact O-N 2.96Å; N371-E373 PolarHBondContact O-N 3.3Å; N371-E373 PolarHBondContact OD1-N 3.44Å; N371-Q374 HydrophobicContact CB-CB 4.38Å; N371-Q374 HydrophobicContact CB-CG 4.32Å; N371-Q374 PolarHBondContact O-N 2.97Å; N371-Q374 PolarHBondContact OD1-N 3.09Å; N371-V375 PolarHBondContact O-N 2.92Å
372V57.2Low61.8Low66 Ų6688.1 Ų88.140%0.443%0.426SS..Hα-helixtrans-58.9-36.5-176.9-172.60000111.7C347 S376C347-V372 HydrophobicContact CB-CG2 4.25Å; V372-S376 WeakPolarHBondContact O-CB 3.42Å; V372-S376 PolarHBondContact O-N 2.88Å; V372-S376 VanDerWaalsContact O-N 3.08Å
373E57.2Low60.5Low129 Ų12990.6 Ų90.660%0.60344%0.443SS*.Hα-helixtrans-73.5-45.4-175.8-59.7-165.8154.200111.2N371 V375 S376 Y377N371-E373 PolarHBondContact O-N 3.3Å; N371-E373 PolarHBondContact OD1-N 3.44Å; E373-V375 VanDerWaalsContact C-N 3.28Å; E373-V375 PolarHBondContact O-N 3.01Å; E373-S376 PolarHBondContact O-N 3.37Å; E373-S376 VanDerWaalsContact O-N 3.1Å; E373-Y377 HydrophobicContact CB-CD2 4.23Å; E373-Y377 HydrophobicContact CB-CE2 4.07Å; E373-Y377 WeakPolarHBondContact O-CD2 3.49Å; E373-Y377 PolarHBondContact O-N 3.18Å
374Q55.6Low59Low97 Ų9786.7 Ų86.745%0.45344%0.438SS..Hα-helixtrans-60.9-37.3177.3-69.2-171.3-1.300112.8Q368 N371 Q378Q368-Q374 HydrophobicContact CG-CB 4.06Å; N371-Q374 HydrophobicContact CB-CB 4.38Å; N371-Q374 HydrophobicContact CB-CG 4.32Å; N371-Q374 PolarHBondContact O-N 2.97Å; N371-Q374 PolarHBondContact OD1-N 3.09Å; Q374-Q378 PolarHBondContact O-N 3.45Å
375V56.7Low57.6Low5 Ų589.1 Ų89.13%0.0345%0.45CS..Hα-helixtrans-70-36.2176.3172.60000111.5L351 A364 Q368 N371 E373 N379L351-V375 HydrophobicContact CD1-CG1 4.06Å; A364-V375 HydrophobicContact CB-CG1 3.56Å; A364-V375 HydrophobicContact CB-CG2 4.31Å; Q368-V375 HydrophobicContact CB-CG2 4.38Å; N371-V375 PolarHBondContact O-N 2.92Å; E373-V375 VanDerWaalsContact C-N 3.28Å; E373-V375 PolarHBondContact O-N 3.01Å; V375-N379 PolarHBondContact O-N 2.93Å; V375-N379 PolarHBondContact O-ND2 2.96Å
376S57.7Low56.1Low25 Ų2592.2 Ų92.218%0.17547%0.473CS..Hα-helixtrans-70.1-47.1178.6-169.70000112V372 E373 Q378 N379 I380V372-S376 WeakPolarHBondContact O-CB 3.42Å; V372-S376 PolarHBondContact O-N 2.88Å; V372-S376 VanDerWaalsContact O-N 3.08Å; E373-S376 PolarHBondContact O-N 3.37Å; E373-S376 VanDerWaalsContact O-N 3.1Å; S376-Q378 PolarHBondContact O-N 3.33Å; S376-N379 PolarHBondContact O-N 3.18Å; S376-I380 WeakPolarHBondContact O-CG1 3.36Å; S376-I380 PolarHBondContact O-N 2.89Å
377Y57.7Low54.7Low162 Ų16287.4 Ų87.464%0.63546%0.458SS*.Hα-helixtrans-64.7-40.9-178.1-75.9-68.7000112.8E373 I380 E381E373-Y377 HydrophobicContact CB-CD2 4.23Å; E373-Y377 HydrophobicContact CB-CE2 4.07Å; E373-Y377 WeakPolarHBondContact O-CD2 3.49Å; E373-Y377 PolarHBondContact O-N 3.18Å; Y377-I380 PolarHBondContact O-N 3.15Å; Y377-E381 PolarHBondContact O-N 2.96Å
378Q56.1Low53.5Low106 Ų10683.3 Ų83.350%0.49545%0.448SS..Hα-helixtrans-74.1-29.7-178.7-145-176.652.400113.1Q374 S376 I380 E381 C382Q374-Q378 PolarHBondContact O-N 3.45Å; S376-Q378 PolarHBondContact O-N 3.33Å; Q378-I380 VanDerWaalsContact C-N 3.35Å; Q378-E381 PolarHBondContact O-N 2.87Å; Q378-C382 WeakPolarHBondContact O-CB 3.46Å; Q378-C382 PolarHBondContact O-N 2.78Å; Q378-C382 PolarHBondContact O-SG 3.45Å
379N56.5Low52.6Low34 Ų3484.8 Ų84.818%0.18246%0.458CS..Hα-helixtrans-66.4-38.1171.5-87.9-67.1000111.4Y356 V375 S376 V383Y356-N379 HydrophobicContact CE1-CB 4.02Å; V375-N379 PolarHBondContact O-N 2.93Å; V375-N379 PolarHBondContact O-ND2 2.96Å; S376-N379 PolarHBondContact O-N 3.18Å; N379-V383 WeakPolarHBondContact O-CB 3.24Å; N379-V383 WeakPolarHBondContact O-CG2 3.23Å; N379-V383 PolarHBondContact O-N 3.08Å
380I57.3Low51.4Low92 Ų9289 Ų8947%0.47247%0.471SS..Hα-helixtrans-66.7-41.5175.1-64.9165.7000110.7S376 Y377 Q378 V383 S384S376-I380 WeakPolarHBondContact O-CG1 3.36Å; S376-I380 PolarHBondContact O-N 2.89Å; Y377-I380 PolarHBondContact O-N 3.15Å; Q378-I380 VanDerWaalsContact C-N 3.35Å; I380-V383 PolarHBondContact O-N 3.4Å; I380-S384 VanDerWaalsContact O-CB 3.32Å; I380-S384 WeakPolarHBondContact O-CB 3.27Å; I380-S384 PolarHBondContact O-N 3.47Å
381E50.8Low50.7Low131 Ų13189.7 Ų89.761%0.61248%0.477SS*.Hα-helixtrans-70-37.5179.5-155.3176.7-167.900112.7Y377 Q378 S384 T385Y377-E381 PolarHBondContact O-N 2.96Å; Q378-E381 PolarHBondContact O-N 2.87Å; E381-S384 PolarHBondContact O-N 2.59Å; E381-T385 PolarHBondContact O-N 2.98Å; E381-T385 PolarHBondContact O-OG1 3.05Å
382C47.5Very low49.8Very low68 Ų6893.6 Ų93.646%0.45950%0.497SS..Hα-helixtrans-67.3-39.4173-80.40000112.6Q378 T385 C386Q378-C382 WeakPolarHBondContact O-CB 3.46Å; Q378-C382 PolarHBondContact O-N 2.78Å; Q378-C382 PolarHBondContact O-SG 3.45Å; C382-T385 WeakPolarHBondContact CA-OG1 3.34Å; C382-T385 PolarHBondContact O-OG1 2.92Å; C382-C386 VanDerWaalsContact O-CB 3.32Å; C382-C386 WeakPolarHBondContact O-CB 3.48Å; C382-C386 PolarHBondContact O-N 3.4Å
383V55.3Low48.9Very low97 Ų97100.1 Ų100.159%0.58853%0.529SS*.Hα-helixtrans-70.4-37.1176.6175.80000110.8N379 I380 S387N379-V383 WeakPolarHBondContact O-CB 3.24Å; N379-V383 WeakPolarHBondContact O-CG2 3.23Å; N379-V383 PolarHBondContact O-N 3.08Å; I380-V383 PolarHBondContact O-N 3.4Å; V383-S387 VanDerWaalsContact O-CB 3.23Å; V383-S387 WeakPolarHBondContact O-CB 3.3Å; V383-S387 PolarHBondContact O-N 3.32Å
384S47.8Very low48.4Very low58 Ų5898.7 Ų98.741%0.40653%0.525SS..Hα-helixtrans-65-44.1176.1-171.80000112.3I380 E381 S387 Q388I380-S384 VanDerWaalsContact O-CB 3.32Å; I380-S384 WeakPolarHBondContact O-CB 3.27Å; I380-S384 PolarHBondContact O-N 3.47Å; E381-S384 PolarHBondContact O-N 2.59Å; S384-S387 PolarHBondContact O-N 3.44Å; S384-Q388 WeakPolarHBondContact O-CG 3.4Å; S384-Q388 PolarHBondContact O-N 3.4Å
385T47Very low48.1Very low72 Ų7298.7 Ų98.744%0.44253%0.529SS..Hα-helixtrans-70.5-37.6177.445.70000112.7E381 C382 Q388 L389E381-T385 PolarHBondContact O-N 2.98Å; E381-T385 PolarHBondContact O-OG1 3.05Å; C382-T385 WeakPolarHBondContact CA-OG1 3.34Å; C382-T385 PolarHBondContact O-OG1 2.92Å; T385-Q388 PolarHBondContact O-N 3.11Å; T385-L389 PolarHBondContact O-N 3.07Å; T385-L389 VanDerWaalsContact O-N 3.12Å
386C41.9Very low47.6Very low85 Ų85103.9 Ų103.957%0.57456%0.556SS**Hα-helixtrans-67.8-35.2172.3-84.90000112.9C382 L389 N390C382-C386 VanDerWaalsContact O-CB 3.32Å; C382-C386 WeakPolarHBondContact O-CB 3.48Å; C382-C386 PolarHBondContact O-N 3.4Å; C386-L389 PolarHBondContact O-N 2.9Å; C386-N390 PolarHBondContact O-N 3.19Å
387S43Very low47Very low68 Ų68108.6 Ų108.648%0.47658%0.579SS.*Hα-helixtrans-73.1-31.6177.6-155.80000112.4V383 S384V383-S387 VanDerWaalsContact O-CB 3.23Å; V383-S387 WeakPolarHBondContact O-CB 3.3Å; V383-S387 PolarHBondContact O-N 3.32Å; S384-S387 PolarHBondContact O-N 3.44Å
388Q41.9Very low46.3Very low126 Ų126105.3 Ų105.359%0.58958%0.575SS**Hα-helixtrans-72.2-34172.9-75.4-178.812.900112.8S384 T385 N390 I391S384-Q388 WeakPolarHBondContact O-CG 3.4Å; S384-Q388 PolarHBondContact O-N 3.4Å; T385-Q388 PolarHBondContact O-N 3.11Å; Q388-N390 VanDerWaalsContact C-N 3.35Å; Q388-I391 PolarHBondContact O-N 3Å
389L39.9Very low45.7Very low121 Ų121105.2 Ų105.263%0.63458%0.581SS**Hα-helixtrans-70-28.8174.9-103.7117.5000113.3T385 C386 I391 L392T385-L389 PolarHBondContact O-N 3.07Å; T385-L389 VanDerWaalsContact O-N 3.12Å; C386-L389 PolarHBondContact O-N 2.9Å; L389-I391 VanDerWaalsContact C-N 3.32Å; L389-I391 PolarHBondContact O-N 3.27Å; L389-L392 PolarHBondContact O-N 3.47Å
390N38.4Very low44.9Very low130 Ų130110.3 Ų110.370%0.69561%0.609SS**THydrogen-bonded Turntrans-80.1-6.8177.3-105.7-23.8000114.6C386 Q388C386-N390 PolarHBondContact O-N 3.19Å; Q388-N390 VanDerWaalsContact C-N 3.35Å
391I41.2Very low43.9Very low139 Ų139111.7 Ų111.771%0.71362%0.62SS**THydrogen-bonded Turntrans-95.2-11.1174.1-68169.7000111.2Q388 L389Q388-I391 PolarHBondContact O-N 3Å; L389-I391 VanDerWaalsContact C-N 3.32Å; L389-I391 PolarHBondContact O-N 3.27Å
392L39.8Very low43.4Very low155 Ų155110.1 Ų110.181%0.81262%0.62SS**  trans-108.56.2-175.8-95.4155.8000114.6L389L389-L392 PolarHBondContact O-N 3.47Å
393L36.6Very low43Very low202 Ų202113.9 Ų113.9100%1.05864%0.635SS**  trans-116.10168-86.9156000109

Retrieved 393 of 393 residues in 61 ms (Link to these results)